# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-04-15T01:14:17+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 2020 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1551255","14.0172","0.001","14.593","0.001","25.8504","0.0018","105.431","0.001","95.932","0.002","100.167","0.002","4953.8","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H74 Cd4 N8 O28 P8 Si2 -","- C96 H71.393 Cd4 N8 O29 P8 Si2 -","- C192 H142.786 Cd8 N16 O58 P16 Si4 -","2","1","","Ai, Jing; Tian, Hong-Rui; Min, Xue; Wang, Zi-Chuan; Sun, Zhong-Ming","A fast and highly selective Congo red adsorption material based on a cadmium-phosphonate network.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3700","3705","10.1039/c9dt01545k","","","0.71073","MoKα","","0.086","0.0601","","","0.1388","0.1569","","","","","","1.102","","","","has coordinates","250313","2020-10-21","18:00:00",""
"1552151","7.5979","0.0002","32.4387","0.0006","16.8075","0.0004","90","","115.761","0.002","90","","3730.78","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H45 B N2 -","- C48 H45 B N2 -","- C192 H180 B4 N8 -","4","1","","Zhang, Jing; Li, Aisen; Zou, Hang; Peng, Junhui; Guo, Jiali; Wu, Wenjie; Zhang, Haoke; Zhang, Jun; Gu, Xinggui; Xu, Weiqing; Xu, Shuping; Liu, Sheng Hua; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong","A “simple” donor‒acceptor AIEgen with multi-stimuli responsive behavior","Materials Horizons","2020","7","1","135","142","10.1039/C9MH01041F","","","1.54184","CuKα","","0.0755","0.0592","","","0.1532","0.1638","","","","","","1.068","","","","has coordinates","258152","2020-10-21","18:00:00",""
"1552310","10.11","0.0009","12.7449","0.0011","14.2331","0.0012","85.456","0.002","75.679","0.001","87.617","0.003","1770.9","0.3","298","2","298.15","","","","","","","","","7","P -1","-P 1","2","","","","- C33 H30 N O4 P Pd S2 -","- C33 H30 N O4 P Pd S2 -","- C66 H60 N2 O8 P2 Pd2 S4 -","2","1","","Tan, Chen; Qasim, Muhammad; Pang, Wenmin; Chen, Changle","Ligand‒metal secondary interactions in phosphine‒sulfonate palladium and nickel catalyzed ethylene (co)polymerization","Polymer Chemistry","2020","11","2","411","416","10.1039/C9PY00904C","","","0.71073","MoKα","","0.1981","0.1027","","","0.2199","0.2451","","","","","","1.007","","","","has coordinates","257938","2020-10-21","18:00:00",""
"1552372","9.3882","0.0002","12.9082","0.0002","13.5032","0.0003","117.037","0.002","96.017","0.002","103.315","0.002","1376.31","0.06","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C64 H52 Br2 P4 Ru S2 -","- C64 H52 Br2 P4 Ru S2 -","- C64 H52 Br2 P4 Ru S2 -","1","0.5","","Ho, Po-Yuen; Komber, Hartmut; Horatz, Kilian; Tsuda, Takuya; Mannsfeld, Stefan C. B.; Dmitrieva, Evgenia; Blacque, Olivier; Kraft, Ulrike; Sirringhaus, Henning; Lissel, Franziska","Synthesis and characterization of a semiconducting and solution-processable ruthenium-based polymetallayne","Polymer Chemistry","2020","11","2","472","479","10.1039/C9PY01090D","","x-ray","1.54184","CuKα","","0.0318","0.0312","","","0.0833","0.0837","","","","","","1.061","","","","has coordinates","257939","2020-10-21","18:00:00",""
"1552456","8.97942","0.00005","10.9358","0.00006","27.051","0.00016","90","","90","","90","","2656.33","0.03","125","","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 F3 N2 O5 -","- C31 H23 F3 N2 O5 -","- C124 H92 F12 N8 O20 -","4","1","","Shu, Chang; Liu, Honglei; Slawin, Alexandra M. Z.; Carpenter-Warren, Cameron; Smith, Andrew D.","Isothiourea-catalysed enantioselective Michael addition of N-heterocyclic pronucleophiles to α,β-unsaturated aryl esters","Chemical Science","2020","11","1","241","247","10.1039/C9SC04303A","","","1.54184","CuKα","","0.0268","0.0267","","","0.0699","0.07","","","","","","1.067","","","","has coordinates","257299","2020-10-21","18:00:00",""
"1552457","19.7387","0.0004","13.4237","0.0003","9.3356","0.0002","90","","93.107","0.002","90","","2469.98","0.09","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 F3 N3 O2 -","- C28 H26 F3 N3 O2 -","- C112 H104 F12 N12 O8 -","4","1","","Shu, Chang; Liu, Honglei; Slawin, Alexandra M. Z.; Carpenter-Warren, Cameron; Smith, Andrew D.","Isothiourea-catalysed enantioselective Michael addition of N-heterocyclic pronucleophiles to α,β-unsaturated aryl esters","Chemical Science","2020","11","1","241","247","10.1039/C9SC04303A","","x-ray","1.54184","CuKα","","0.0567","0.0525","","","0.1495","0.1525","","","","","","1.04","","","","has coordinates","257299","2020-10-21","18:00:00",""
"1552458","13.5575","0.0002","23.9425","0.0003","19.8418","0.0003","90","","93.584","0.002","90","","6428.06","0.16","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H26 F3 N3 O2 -","- C28 H26 F3 N3 O2 -","- C280 H260 F30 N30 O20 -","10","5","","Shu, Chang; Liu, Honglei; Slawin, Alexandra M. Z.; Carpenter-Warren, Cameron; Smith, Andrew D.","Isothiourea-catalysed enantioselective Michael addition of N-heterocyclic pronucleophiles to α,β-unsaturated aryl esters","Chemical Science","2020","11","1","241","247","10.1039/C9SC04303A","","x-ray","1.54184","CuKα","","0.0499","0.0406","","","0.1046","0.1093","","","","","","0.998","","","","has coordinates","257299","2020-10-21","18:00:00",""
"1552477","9.6444","0.0003","12.2441","0.0003","19.4216","0.0004","93.6475","0.0017","99.9526","0.0019","92.348","0.002","2251.2","0.1","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C51 H58 O14 -","- C51 H58 O14 -","- C102 H116 O28 -","2","1","","Xu, Xiaowen; Jerca, Florica Adriana; Van Hecke, Kristof; Jerca, Valentin Victor; Hoogenboom, Richard","High compression strength single network hydrogels with pillar[5]arene junction points","Materials Horizons","2020","7","2","566","573","10.1039/C9MH01401B","","x-ray","1.54184","CuKα","","0.0516","0.0433","","","0.1122","0.1197","","","","","","1.04","","","","has coordinates,has disorder","258155","2020-10-21","18:00:00",""
"1552504","39.763","0.002","37.788","0.002","8.9491","0.0005","90","","90","","90","","13446.6","1.2","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C20 H22 B N -","- C20 H22 B N -","- C640 H704 B32 N32 -","32","2","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.0618","0.0468","","","0.1267","0.1391","","","","","","1.075","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1552505","11.605","0.0005","9.0305","0.0005","15.7985","0.0008","90","","102.127","0.0016","90","","1618.72","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 B Cr O3 S -","- C17 H17 B Cr O3 S -","- C68 H68 B4 Cr4 O12 S4 -","4","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.044","0.0325","","","0.0727","0.0778","","","","","","1.053","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1552506","8.7781","0.0009","10.9283","0.0011","12.3004","0.0012","70.809","0.004","87.538","0.005","79.597","0.005","1095.91","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 B O -","- C28 H27 B O -","- C56 H54 B2 O2 -","2","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.0648","0.0472","","","0.1116","0.1213","","","","","","1.049","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1552507","13.441","0.0008","13.1854","0.0008","24.0772","0.0016","90","","94.762","0.002","90","","4252.4","0.5","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H27 B O -","- C27 H27 B O -","- C216 H216 B8 O8 -","8","2","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.058","0.0437","","","0.1059","0.1127","","","","","","1.098","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1552508","14.454","0.002","7.2349","0.0007","21.474","0.003","90","","100.708","0.004","90","","2206.5","0.5","149","2","149","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 B O -","- C28 H29 B O -","- C112 H116 B4 O4 -","4","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.1359","0.0553","","","0.1092","0.1356","","","","","","1.006","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1552533","13.885","0.002","17.841","0.003","22.499","0.004","83.99","0.002","73.932","0.002","85.868","0.002","5320.9","1.5","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C88 H76 F24 N14 P4 Ru2 -","- C88 H76 F24 N14 P4 Ru2 -","- C176 H152 F48 N28 P8 Ru4 -","2","1","","Smitten, Kirsty L.; Fairbanks, Simon D.; Robertson, Craig C.; Bernardino de la Serna, Jorge; Foster, Simon J.; Thomas, Jim A.","Ruthenium based antimicrobial theranostics - using nanoscopy to identify therapeutic targets and resistance mechanisms in <i>Staphylococcus aureus</i>.","Chemical science","2020","11","1","70","79","10.1039/c9sc04710g","","","0.71073","MoKα","","0.1711","0.091","","","0.2262","0.2806","","","","","","1.026","","","","has coordinates","248868","2020-10-21","18:00:00",""
"1552713","14.8195","0.0008","20.8662","0.0012","9.5394","0.0007","90","","90","","90","","2949.8","0.3","100","2","99.99","","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C44 H42 F18 N6 P3 S2 -","- C44 H42 F18 N6 P3 S2 -","- C88 H84 F36 N12 P6 S4 -","2","0.25","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.1185","0.1123","","","0.2975","0.3018","","","","","","1.05","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552714","19.886","0.004","20.698","0.004","20.515","0.004","90","","90","","90","","8444","3","100","2","100.01","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C78 H73 F30 N11 P5 -","- C78 H73 F30 N11 P5 -","- C312 H292 F120 N44 P20 -","4","0.5","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.0876","0.0542","","","0.1341","0.1579","","","","","","1.051","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552715","14.1423","0.0006","21.9108","0.0007","9.5937","0.0003","90","","90","","90","","2972.79","0.18","100","2","100","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C48 H46 F18 N6 P3 -","- C48 H46 F18 N6 P3 -","- C96 H92 F36 N12 P6 -","2","0.25","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.1427","0.1009","","","0.314","0.3523","","","","","","1.195","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552716","7.4563","0.0011","20.125","0.003","13.948","0.002","90","","91.831","0.008","90","","2091.9","0.5","100","2","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 F24 N4 P4 -","- C36 H32 F24 N4 P4 -","- C72 H64 F48 N8 P8 -","2","0.5","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.0573","0.0485","","","0.1188","0.1248","","","","","","1.066","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552717","10.3821","0.0005","21.5348","0.0009","9.6558","0.0004","90","","90","","90","","2158.81","0.16","100","2","99.98","","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C32 H28 F12 N4 P2 S2 -","- C32 H28 F12 N4 P2 S2 -","- C64 H56 F24 N8 P4 S4 -","2","0.25","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.0525","0.0471","","","0.1507","0.1561","","","","","","1.08","","","","has coordinates","248866","2020-10-21","18:00:00",""
"1552718","11.2904","0.0011","16.9439","0.0018","24.966","0.003","75.157","0.01","86.061","0.011","86.58","0.009","4601.4","0.9","99.98","","99.98","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H31 F24 N5 P4 -","- C35 H31 F24 N5 P4 -","- C140 H124 F96 N20 P16 -","4","2","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","x-ray","1.54184","CuKα","","0.3412","0.2375","","","0.5158","0.605","","","","","","1.535","","","","has coordinates","248866","2020-10-21","18:00:00",""
"1552719","10.266","0.0006","21.7433","0.0014","9.8244","0.0006","90","","90","","90","","2193","0.2","100","2","100.01","","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C34 H30 F12 N4 P2 S -","- C34 H30 F12 N4 P2 S -","- C68 H60 F24 N8 P4 S2 -","2","0.25","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.0585","0.0509","","","0.1542","0.1601","","","","","","1.073","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552720","14.8597","0.0015","21.003","0.002","9.5902","0.0009","90","","90","","90","","2993.1","0.5","100","2","99.95","","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C44 H42 F18 N6 P3 S -","- C44 H42 F18 N6 P3 S -","- C88 H84 F36 N12 P6 S2 -","2","0.25","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.1497","0.1358","","","0.3484","0.3577","","","","","","1.062","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552721","13.603","0.0013","13.8062","0.0013","16.0216","0.0016","101.314","0.006","111.832","0.006","107.987","0.006","2486.3","0.5","100","2","100.02","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16.5 F12 N2.5 P2 S0.5 -","- C18 H16.5 F12 N2.5 P2 S0.5 -","- C72 H66 F48 N10 P8 S2 -","4","2","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","0.71073","MoKα","","0.2373","0.1355","","","0.3849","0.4408","","","","","","1.299","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552722","14.1183","0.0009","21.8905","0.0011","9.5412","0.0005","90","","90","","90","","2948.8","0.3","100","2","99.98","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C47 H45 F18 N7 P3 -","- C47 H45 F18 N7 P3 -","- C94 H90 F36 N14 P6 -","2","0.25","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.1384","0.125","","","0.3812","0.4081","","","","","","1.821","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552748","12.248","0.003","7.6422","0.0018","15.829","0.004","90","","104.923","0.004","90","","1431.6","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Br2 Cu2 N2 O14 S2 -","- C20 H28 Br2 Cu2 N2 O14 S2 -","- C40 H56 Br4 Cu4 N4 O28 S4 -","2","0.5","","Qin, Xiu-Ying; Wang, Ya-Nan; Liu, Han-Fu; Luo, Zhao-Hui; Zhang, Pei-Lu; Li-Fang, Huang; Liu, Mei-Rong","Anti-cancer activities of metal-based complexes by regulating the VEGF/VEGFR2 signaling pathway and apoptosis-related factors Bcl-2, Bax, and caspase-9 to inhibit angiogenesis and induce apoptosis.","Metallomics : integrated biometal science","2020","12","1","92","103","10.1039/c9mt00248k","","","0.71073","MoKα","","0.0401","0.0332","","","0.0865","0.0896","","","","","","1.059","","","","has coordinates","247765","2020-10-21","18:00:00",""
"1552749","15.5234","0.0007","19.2687","0.0005","19.1761","0.0008","90","","112.933","0.005","90","","5282.5","0.4","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C24 H26 Br Co N3 O7 S -","- C24 H26 Br Co N3 O7 S -","- C192 H208 Br8 Co8 N24 O56 S8 -","8","1","","Qin, Xiu-Ying; Wang, Ya-Nan; Liu, Han-Fu; Luo, Zhao-Hui; Zhang, Pei-Lu; Li-Fang, Huang; Liu, Mei-Rong","Anti-cancer activities of metal-based complexes by regulating the VEGF/VEGFR2 signaling pathway and apoptosis-related factors Bcl-2, Bax, and caspase-9 to inhibit angiogenesis and induce apoptosis.","Metallomics : integrated biometal science","2020","12","1","92","103","10.1039/c9mt00248k","","","0.71073","MoKα","","0.0613","0.0428","","","0.0998","0.1103","","","","","","1.012","","","","has coordinates","247765","2020-10-21","18:00:00",""
"1552750","15.516","0.008","13.3471","0.0007","11.7999","0.0009","90","","100.625","0.019","90","","2401.8","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Br Cu N3 O6 S -","- C23 H22 Br Cu N3 O6 S -","- C92 H88 Br4 Cu4 N12 O24 S4 -","4","1","","Qin, Xiu-Ying; Wang, Ya-Nan; Liu, Han-Fu; Luo, Zhao-Hui; Zhang, Pei-Lu; Li-Fang, Huang; Liu, Mei-Rong","Anti-cancer activities of metal-based complexes by regulating the VEGF/VEGFR2 signaling pathway and apoptosis-related factors Bcl-2, Bax, and caspase-9 to inhibit angiogenesis and induce apoptosis.","Metallomics : integrated biometal science","2020","12","1","92","103","10.1039/c9mt00248k","","","0.71073","MoKα","","0.1061","0.0647","","","0.1543","0.182","","","","","","1.032","","","","has coordinates","247765","2020-10-21","18:00:00",""
"1552754","8.064","0.003","11.97","0.004","7.036","0.003","90","","90","","90","","679.2","0.4","296","2","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Al B3 Cs F O6 -","- Al B3 Cs F O6 -","- Al4 B12 Cs4 F4 O24 -","4","1","","Liu, Hongkun; Wang, Ying; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie","CsAlB3O6F: a beryllium-free deep-ultraviolet nonlinear optical material with enhanced thermal stability","Chemical Science","2020","11","3","694","698","10.1039/C9SC04862F","","","0.71073","MoKα","","0.0502","0.0283","","","0.0567","0.0643","","","","","","1.022","","","","has coordinates","257428","2020-10-21","18:00:00",""
"1552766","34.841","0.003","34.841","0.003","5.566","0.0006","90","","90","","120","","5851.3","1","296","2","296","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C28 H22 N3 P -","- C28 H22 N3 P -","- C252 H198 N27 P9 -","9","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","","0.71073","MoKα","","0.0668","0.0489","","","0.1154","0.1267","","","","","","1.054","","","","has coordinates","248867","2020-10-21","18:00:00",""
"1552767","9.0625","0.0007","10.9721","0.0008","18.2236","0.0013","90","","90","","90","","1812.1","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N3 O P -","- C19 H18 N3 O P -","- C76 H72 N12 O4 P4 -","4","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","","0.71073","MoKα","","0.0596","0.0485","","","0.1274","0.1359","","","","","","1.045","","","","has coordinates","248867","2020-10-21","18:00:00",""
"1552768","8.3114","0.0002","10.1411","0.0002","10.8128","0.0002","90","","107.963","0.002","90","","866.95","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 O3 P -","- C19 H23 O3 P -","- C38 H46 O6 P2 -","2","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","x-ray","1.54184","CuKα","","0.0357","0.0356","","","0.0875","0.0876","","","","","","1.07","","","","has coordinates,has disorder","248867","2020-10-21","18:00:00",""
"1552769","6.0745","0.0001","19.8094","0.0002","9.9683","0.0001","90","","98.06","0.001","90","","1187.66","0.03","100","0.11","100","0.11","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H32 N O2 P S -","- C24 H32 N O2 P S -","- C48 H64 N2 O4 P2 S2 -","2","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","x-ray","1.54184","CuKα","","0.0328","0.0311","","","0.0745","0.0753","","","","","","1.044","","","","has coordinates","248867","2020-10-21","18:00:00",""
"1552770","8.6866","0.0003","10.7017","0.0004","11.1556","0.0003","72.428","0.003","86.595","0.003","70.591","0.003","931.5","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Au Cl3 P -","- C16 H18 Au Cl3 P -","- C32 H36 Au2 Cl6 P2 -","2","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","x-ray","1.54184","CuKα","","0.0604","0.057","","","0.1508","0.1531","","","","","","1.081","","","","has coordinates","248867","2020-10-21","18:00:00",""
"1552771","14.421","0.002","7.7894","0.0013","16.028","0.003","90","","114.539","0.004","90","","1637.8","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H33 Cl N3 O3 P -","- C36 H33 Cl N3 O3 P -","- C72 H66 Cl2 N6 O6 P2 -","2","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","","0.71073","MoKα","","0.1285","0.0879","","","0.1703","0.192","","","","","","1.095","","","","has coordinates,has disorder","248867","2020-10-21","18:00:00",""
"1552772","7.6851","0.0003","12.5057","0.0005","13.9472","0.0005","90","","90","","90","","1340.43","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 O P -","- C15 H13 O P -","- C60 H52 O4 P4 -","4","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","","0.71073","MoKα","","0.0338","0.0317","","","0.0897","0.0925","","","","","","1.003","","","","has coordinates","248867","2020-10-21","18:00:00",""
"1552854","7.427","0.002","7.782","0.003","13.74","0.005","89.382","0.01","89.146","0.01","68.679","0.01","739.7","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","1-(1,1,2,2,8,8,8,8,8-Nonafluoro-8λ8-octa-3,5,7-triyn-1-yl)naphthalene","","- C18 H7 F9 -","- C18 H7 F9 -","- C36 H14 F18 -","2","1","","Xie, Qiqiang; Zhu, Ziyue; Li, Lingchun; Ni, Chuanfa; Hu, Jinbo","Controllable double CF2-insertion into sp2 C‒Cu bond using TMSCF3: a facile access to tetrafluoroethylene-bridged structures","Chemical Science","2020","11","1","276","280","10.1039/C9SC05018C","","","0.71073","MoKα","","0.1222","0.0956","","","0.2657","0.3183","","","","","","1.231","","","","has coordinates","257300","2020-10-21","18:00:00",""
"1552855","14.4384","","16.0496","","20.713","","90","","96.573","","90","","4768.29","","123","","123","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C24 H32 N2 O3 S Si -","- C24 H32 N2 O3 S Si -","- C192 H256 N16 O24 S8 Si8 -","8","1","","Rej, Supriya; Chatani, Naoto","Rh(ii)-catalyzed branch-selective C-H alkylation of aryl sulfonamides with vinylsilanes.","Chemical science","2020","11","2","389","395","10.1039/c9sc04308j","","","0.71073","MoKα","","0.0502","0.0363","","","0.0944","0.0987","","","","","","1.085","","","","has coordinates","250224","2020-10-21","18:00:00",""
"1552856","17.4067","0.001","10.6112","0.001","22.164","0.002","90","","98.333","0.007","90","","4050.6","0.6","123","","123","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C38 H36 N4 O12 Rh2 S2 -","- C38 H36 N4 O12 Rh2 S2 -","- C152 H144 N16 O48 Rh8 S8 -","4","0.5","","Rej, Supriya; Chatani, Naoto","Rh(ii)-catalyzed branch-selective C-H alkylation of aryl sulfonamides with vinylsilanes.","Chemical science","2020","11","2","389","395","10.1039/c9sc04308j","","","0.71073","MoKα","","0.1132","0.0897","","","0.2399","0.2618","","","","","","1.041","","","","has coordinates","250224","2020-10-21","18:00:00",""
"1552858","10.8204","0.0012","35.106","0.004","8.2849","0.0009","90","","110.005","0.001","90","","2957.2","0.6","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H54 Cl6 N4 O10 -","- C66 H54 Cl6 N4 O10 -","- C132 H108 Cl12 N8 O20 -","2","0.5","","Dai, Heshuang; Shichibu, Yukatsu; Imai, Yoshitane; Hara, Nobuyuki; Konishi, Katsuaki; Wang, Yue; Song, Zhiyi; Nakano, Tamaki","Synthesis and stereochemistry of helical polyurethanes based on 2,2′-dihydroxy-1,1′-binaphthyl and diisocyanatobenzenes","Polymer Chemistry","2020","11","6","1134","1144","10.1039/C9PY01348B","","","0.71073","MoKα","","0.0773","0.05","","","0.1352","0.1565","","","","","","1.011","","","","has coordinates,has disorder","257940","2020-10-21","18:00:00",""
"1552876","10.7063","0.0002","13.5187","0.0003","13.5554","0.0002","71.713","0.002","76.289","0.002","70.466","0.002","1736.4","0.06","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H45 Au N4 O4 S -","- C39 H45 Au N4 O4 S -","- C78 H90 Au2 N8 O8 S2 -","2","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0309","0.027","","","0.058","0.0597","","","","","","0.975","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552877","10.4512","0.0001","18.0543","0.0002","38.7653","0.0005","90","","90","","90","","7314.59","0.14","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H52 Au Cl2 N3 -","- C41 H52 Au Cl2 N3 -","- C328 H416 Au8 Cl16 N24 -","8","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0302","0.0266","","","0.0829","0.0851","","","","","","1.065","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552878","12.6173","0.001","13.9286","0.0006","19.607","0.0009","90","","108.245","0.007","90","","3272.5","0.4","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H47 Au N2 S -","- C39 H47 Au N2 S -","- C156 H188 Au4 N8 S4 -","4","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0218","0.0182","","","0.0472","0.0489","","","","","","1.046","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552879","12.6669","0.0004","17.4884","0.0005","17.3107","0.0005","90","","108.451","0.003","90","","3637.6","0.2","140","0.6","140","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H51 Au N2 -","- C45 H51 Au N2 -","- C180 H204 Au4 N8 -","4","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0314","0.0229","","","0.0529","0.0567","","","","","","1.027","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552880","10.0502","0.0002","17.6546","0.0003","39.3833","0.0006","90","","90","","90","","6987.9","0.2","140","2","140","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H49 Au Cl2 N2 O -","- C40 H49 Au Cl2 N2 O -","- C320 H392 Au8 Cl16 N16 O8 -","8","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0706","0.0652","","","0.1031","0.1048","","","","","","1.461","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552881","21.965","0.0005","16.1816","0.0003","20.6249","0.0007","90","","99.929","0.003","90","","7220.9","0.3","139.9","0.6","139.9","0.6","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79 H96 Au2 Cl2 N4 O4 S2 -","- C79 H96 Au2 Cl2 N4 O4 S2 -","- C316 H384 Au8 Cl8 N16 O16 S8 -","4","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0718","0.0545","","","0.1636","0.173","","","","","","1.325","","","","has coordinates,has disorder","250226","2020-10-21","18:00:00",""
"1552882","34.2921","0.0008","13.9716","0.0003","17.0268","0.0004","90","","90","","90","","8157.8","0.3","140.1","1","140.1","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C42 H53 Au N2 -","- C42 H53 Au N2 -","- C336 H424 Au8 N16 -","8","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.057","0.0353","","","0.0799","0.0874","","","","","","1.09","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552883","9.5034","0.0017","10.6505","0.0019","21.889","0.004","96.945","0.003","102.069","0.003","99.44","0.003","2109.4","0.7","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 O2 -","- C28 H24 O2 -","- C112 H96 O8 -","4","2","","Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes.","Chemical science","2020","11","2","494","498","10.1039/c9sc05111b","","","0.71073","MoKα","","0.0389","0.0361","","","0.0932","0.0959","","","","","","1.033","","","","has coordinates","256041","2020-10-21","18:00:00",""
"1552884","17.3724","0.0008","5.5677","0.0003","18.8919","0.0012","90","","111.661","0.0019","90","","1698.27","0.16","90","2","90","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C23 H20 O -","- C23 H20 O -","- C92 H80 O4 -","4","1","","Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes.","Chemical science","2020","11","2","494","498","10.1039/c9sc05111b","","","1.54178","CuKα","","0.0308","0.0301","","","0.0792","0.08","","","","","","1.04","","","","has coordinates","256041","2020-10-21","18:00:00",""
"1552885","9.0262","0.0004","10.7097","0.0004","14.6781","0.0006","90","","90","","90","","1418.9","0.1","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes.","Chemical science","2020","11","2","494","498","10.1039/c9sc05111b","","","1.54178","CuKα","","0.0263","0.0262","","","0.0696","0.0697","","","","","","1.065","","","","has coordinates","256041","2020-10-21","18:00:00",""
"1552886","5.5431","0.0002","17.2727","0.0006","17.7127","0.0006","90","","90","","90","","1695.89","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes.","Chemical science","2020","11","2","494","498","10.1039/c9sc05111b","","","1.54178","CuKα","","0.0258","0.025","","","0.0645","0.0651","","","","","","1.043","","","","has coordinates","256041","2020-10-21","18:00:00",""
"1552917","18.2211","0.001","18.9776","0.001","11.15","0.0006","90","","90","","90","","3855.6","0.4","200","1","200","1","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C34 H31 Au Cl4 F3 N4 O3 S3 -","- C34 H31 Au Cl4 F3 N4 O3 S3 -","- C136 H124 Au4 Cl16 F12 N16 O12 S12 -","4","1","","Yu, Bingqiong; Liu, Yanhong; Peng, Xian; Hua, Siyu; Zhou, Gangcheng; Yan, Kun; Liu, Yi","Synthesis, characterization, and antitumor properties of Au(i)-thiourea complexes.","Metallomics : integrated biometal science","2020","12","1","104","113","10.1039/c9mt00232d","","","0.71073","MoKα","","0.0401","0.0274","","","0.0712","0.0762","","","","","","1.033","","","","has coordinates","247764","2020-10-21","18:00:00",""
"1552926","14.9009","0.0007","15.5043","0.0004","18.1199","0.0005","99.309","0.002","101.541","0.003","108.366","0.003","3777.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H82 N4 O2 S4 -","- C94 H82 N4 O2 S4 -","- C188 H164 N8 O4 S8 -","2","1","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","x-ray","1.54178","CuKα","","0.1126","0.0718","","","0.177","0.208","","","","","","1.002","","","","has coordinates","258154","2020-10-21","18:00:00",""
"1552927","7.7145","0.0001","10.865","0.0002","12.5062","0.0003","110.002","0.002","96.063","0.002","104.29","0.002","933.52","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 N2 O S -","- C23 H20 N2 O S -","- C46 H40 N4 O2 S2 -","2","1","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","x-ray","1.54178","CuKα","","0.0294","0.0292","","","0.076","0.0761","","","","","","1.047","","","","has coordinates","258154","2020-10-21","18:00:00",""
"1552928","8.6679","0.0004","12.5073","0.0007","13.5784","0.0006","72.096","0.004","75.545","0.004","88.839","0.004","1353.88","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H66 N4 O2 S2 -","- C66 H66 N4 O2 S2 -","- C66 H66 N4 O2 S2 -","1","0.5","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","x-ray","1.54178","CuKα","","0.064","0.0545","","","0.1441","0.1508","","","","","","1.056","","","","has coordinates","258154","2020-10-21","18:00:00",""
"1552929","15.2836","0.0002","20.0101","0.0005","29.3242","0.0006","90","","89.997","0.002","90","","8968.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C104 H109 N4 O8 S4 -","- C104 H109 N4 O8 S4 -","- C416 H436 N16 O32 S16 -","4","1","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","x-ray","1.54178","CuKα","","0.1639","0.0998","","","0.2395","0.2842","","","","","","1.044","","","","has coordinates,has disorder","258154","2020-10-21","18:00:00",""
"1552930","8.6526","0.0003","16.4878","0.0008","18.0435","0.0008","114.697","0.005","103.822","0.004","90.89","0.004","2251.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H98 Cl6 N4 O6 S4 -","- C100 H98 Cl6 N4 O6 S4 -","- C100 H98 Cl6 N4 O6 S4 -","1","0.5","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","x-ray","1.54178","CuKα","","0.0852","0.0753","","","0.2089","0.2158","","","","","","1.071","","","","has coordinates,has disorder","258154","2020-10-21","18:00:00",""
"1552931","21.1745","0.0009","35.242","0.002","14.1841","0.0009","90","","100.409","0.004","90","","10410.4","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H60 Cl3 N2 O2 S2 -","- C58 H60 Cl3 N2 O2 S2 -","- C464 H480 Cl24 N16 O16 S16 -","8","1","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","x-ray","1.54178","CuKα","","0.2955","0.1903","","","0.4321","0.4994","","","","","","1.47","","","","has coordinates,has disorder","258154","2020-10-21","18:00:00",""
"1552932","8.429","0.0002","9.714","0.0003","11.076","0.0003","82.096","0.002","69.206","0.002","76.828","0.002","823.92","0.04","120","2","120","2","","","","","","","Merck","3","P -1","-P 1","2","","","","- C20 H18 S2 -","- C20 H18 S2 -","- C40 H36 S4 -","2","1","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","","0.71073","MoKα","","0.0668","0.0466","","","0.1041","0.1155","","","","","","1.055","","","","has coordinates","258154","2020-10-21","18:00:00",""
"1552933","4.8299","0.0002","24.008","0.0005","17.9904","0.0003","90","","91.295","0.002","90","","2085.57","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O S -","- C27 H22 N2 O S -","- C108 H88 N8 O4 S4 -","4","1","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","x-ray","1.54178","CuKα","","0.0611","0.0531","","","0.1424","0.1478","","","","","","1.081","","","","has coordinates,has disorder","258154","2020-10-21","18:00:00",""
"1552934","8.7454","0.0013","18.872","0.002","25.2647","0.0018","87.77","0.008","88.724","0.009","78.001","0.012","4075.1","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C95 H83 Cl3 N4 O2 S4 -","- C95 H83 Cl3 N4 O2 S4 -","- C190 H166 Cl6 N8 O4 S8 -","2","1","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","x-ray","1.54178","CuKα","","0.3079","0.1768","","","0.4418","0.5171","","","","","","1.45","","","","has coordinates,has disorder","258154","2020-10-21","18:00:00",""
"1552936","21.2554","0.0003","5.93942","0.0001","17.7277","0.0003","90","","90.6651","0.0012","90","","2237.88","0.06","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H58 N8 O13 -","- C44 H58 N8 O13 -","- C88 H116 N16 O26 -","2","0.5","","Tao, Kai; Donnell, Joseph O'; Yuan, Hui; Haq, Ehtsham U.; Guerin, Sarah; Shimon, Linda J. W.; Xue, Bin; Silien, Christophe; Cao, Yi; Thompson, Damien; Yang, Rusen; Tofail, Syed A. M.; Gazit, Ehud","Accelerated charge transfer in water-layered peptide assemblies.","Energy & environmental science","2020","13","1","96","101","10.1039/c9ee02875g","","","1.54184","CuKα","","0.0431","0.0422","","","0.1168","0.1174","","","","","","1.154","","","","has coordinates","247756","2020-10-21","18:00:00",""
"1552937","21.2","0.004","5.9359","0.0009","17.737","0.003","90","","90.692","0.005","90","","2231.9","0.7","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H57 N8 O13 -","- C44 H57 N8 O13 -","- C88 H114 N16 O26 -","2","0.5","","Tao, Kai; Donnell, Joseph O'; Yuan, Hui; Haq, Ehtsham U.; Guerin, Sarah; Shimon, Linda J. W.; Xue, Bin; Silien, Christophe; Cao, Yi; Thompson, Damien; Yang, Rusen; Tofail, Syed A. M.; Gazit, Ehud","Accelerated charge transfer in water-layered peptide assemblies.","Energy & environmental science","2020","13","1","96","101","10.1039/c9ee02875g","","","0.71073","MoKα","","0.095","0.0519","","","0.0854","0.0972","","","","","","0.983","","","","has coordinates","247756","2020-10-21","18:00:00",""
"1552946","10.936","0.004","9.071","0.003","12.562","0.005","90","","94.63","0.005","90","","1242.1","0.8","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","compound 21","compound 21","","- C23 H31 N O7 Si -","- C23 H31 N O7 Si -","- C46 H62 N2 O14 Si2 -","2","1","","Yu, Haiyong; Zong, Yan; Xu, Tao","Total synthesis of (−)-penicimutanin a and related congeners","Chemical Science","2020","11","3","656","660","10.1039/C9SC05252F","","","0.71073","MoKα","","0.0598","0.0575","","","0.143","0.1458","","","","","","1.049","","","","has coordinates","257421","2020-10-21","18:00:00",""
"1552947","8.7818","0.0005","21.1435","0.0013","10.5555","0.0007","90","","92.327","0.002","90","","1958.3","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","PMA-27","PMA-27","","- C45 H47 N4 O9 -","- C45 H47 N4 O9 -","- C90 H94 N8 O18 -","2","1","","Yu, Haiyong; Zong, Yan; Xu, Tao","Total synthesis of (−)-penicimutanin a and related congeners","Chemical Science","2020","11","3","656","660","10.1039/C9SC05252F","","","1.54178","CuKα","","0.1039","0.063","","","0.1146","0.1305","","","","","","1.032","","","","has coordinates,has disorder","257421","2020-10-21","18:00:00",""
"1552948","7.355","0.0004","12.9923","0.0007","24.5807","0.0014","90","","90","","90","","2348.9","0.2","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H12 Br2 N2 O6 -","- C26 H12 Br2 N2 O6 -","- C104 H48 Br8 N8 O24 -","4","1","","Bao, Xiaoze; Rodriguez, Jean; Bonne, Damien","Bidirectional enantioselective synthesis of bis-benzofuran atropisomeric oligoarenes featuring two distal C-C stereogenic axes.","Chemical science","2020","11","2","403","408","10.1039/c9sc04378k","","x-ray","0.71073","MoKα","","0.0655","0.0405","","","0.0841","0.0942","","","","","","1.027","","","","has coordinates","250228","2020-10-21","18:00:00",""
"1552949","15.0405","0.0002","8.4792","0.0001","13.8431","0.0001","90","","106.602","0.001","90","","1691.83","0.03","295","","295","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C16.05 H12.45 N O5 -","- C16.05 H12.45 N O5 -","- C64.2 H49.8 N4 O20 -","4","1","","Bao, Xiaoze; Rodriguez, Jean; Bonne, Damien","Bidirectional enantioselective synthesis of bis-benzofuran atropisomeric oligoarenes featuring two distal C-C stereogenic axes.","Chemical science","2020","11","2","403","408","10.1039/c9sc04378k","","x-ray","1.54184","CuKα","","0.0698","0.0695","","","0.1996","0.2005","","","","","","1.16","","","","has coordinates,has disorder","250228","2020-10-21","18:00:00",""
"1552950","15.2114","0.0017","15.0318","0.0019","22.042","0.002","90","","93.831","0.004","90","","5028.7","1","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C66 H50 N2 O4 -","- C66 H50 N2 O4 -","- C264 H200 N8 O16 -","4","2","","Dhbaibi, Kais; Favereau, Ludovic; Srebro-Hooper, Monika; Quinton, Cassandre; Vanthuyne, Nicolas; Arrico, Lorenzo; Roisnel, Thierry; Jamoussi, Bassem; Poriel, Cyril; Cabanetos, Clément; Autschbach, Jochen; Crassous, Jeanne","Modulation of circularly polarized luminescence through excited-state symmetry breaking and interbranched exciton coupling in helical push-pull organic systems.","Chemical science","2020","11","2","567","576","10.1039/c9sc05231c","","x-ray","0.71073","MoKα","","0.1354","0.0984","","","0.2509","0.278","","","","","","1.018","","","","has coordinates","250223","2020-10-21","18:00:00",""
"1552951","14.2115","0.0005","13.2334","0.0004","26.4184","0.0007","90","","116.384","0.003","90","","4450.9","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H19 N O S2 -","- C78 H19 N O S2 -","- C312 H76 N4 O4 S8 -","4","1","","Liu, Kai-Qing; Wang, Jun-Jie; Yan, Xing-Xing; Niu, Chuang; Wang, Guan-Wu","Regioselective electrosynthesis of tetra- and hexa-functionalized [60]fullerene derivatives with unprecedented addition patterns.","Chemical science","2020","11","2","384","388","10.1039/c9sc02131k","","","1.54184","CuKα","","0.1222","0.0789","","","0.1994","0.2308","","","","","","1.071","","","","has coordinates,has disorder","250227","2020-10-21","18:00:00",""
"1552952","11.6895","0.001","23.58","0.002","7.2918","0.0007","90","","94.989","0.003","90","","2002.3","0.3","119","2","119","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 Cl2 N3 O5 -","- C18 H23 Cl2 N3 O5 -","- C72 H92 Cl8 N12 O20 -","4","1","","Rajak, Aritra; Karan, Chandan Kumar; Theato, Patrick; Das, Anindita","Supramolecularly cross-linked amphiphilic block copolymer assembly by the dipolar interaction of a merocyanine dye","Polymer Chemistry","2020","11","3","695","703","10.1039/C9PY01492F","","","0.71073","MoKα","","0.0878","0.0684","","","0.1677","0.1884","","","","","","1.04","","","","has coordinates","257955","2020-10-21","18:00:00",""
"1556080","11.2529","0.0005","12.5689","0.0005","14.178","0.0006","90","","101.369","0.001","90","","1965.94","0.14","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C35 H38 Cl2 F6 Fe N4 O6 S2 -","- C35 H38 Cl2 F6 Fe N4 O6 S2 -","- C70 H76 Cl4 F12 Fe2 N8 O12 S4 -","2","1","","Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming","Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics","Chemical Science","2020","11","3","684","693","10.1039/C9SC04858H","","","0.71073","MoKα","","0.0218","0.0211","","","0.0528","0.0532","","","","","","1.041","","","","has coordinates,has disorder","257426","2020-10-21","18:00:00",""
"1556081","11.265","0.0005","16.5488","0.0007","23.0009","0.001","90","","90","","90","","4287.9","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 Cl4 F6 Fe N4 O6 S2 -","- C38 H44 Cl4 F6 Fe N4 O6 S2 -","- C152 H176 Cl16 F24 Fe4 N16 O24 S8 -","4","1","","Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming","Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics","Chemical Science","2020","11","3","684","693","10.1039/C9SC04858H","","","0.71073","MoKα","","0.0613","0.0561","","","0.1523","0.1567","","","","","","1.051","","","","has coordinates,has disorder","257426","2020-10-21","18:00:00",""
"1556082","21.5973","0.0008","5.0981","0.0002","17.5377","0.0007","90","","91.771","0.001","90","","1930.07","0.13","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H26 N3 O -","- C24 H26 N3 O -","- C96 H104 N12 O4 -","4","1","","Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming","Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics","Chemical Science","2020","11","3","684","693","10.1039/C9SC04858H","","","1.54178","CuKα","","0.0302","0.0302","","","0.0798","0.0799","","","","","","1.048","","","","has coordinates","257426","2020-10-21","18:00:00",""
"1556083","8.63","0.005","15.205","0.007","12.2","0.009","90","","105.42","0.04","90","","1543.2","1.6","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N3 O -","- C18 H21 N3 O -","- C72 H84 N12 O4 -","4","2","","Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming","Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics","Chemical Science","2020","11","3","684","693","10.1039/C9SC04858H","","","1.54178","CuKα","","0.0342","0.0342","","","0.0902","0.0903","","","","","","1.05","","","","has coordinates","257426","2020-10-21","18:00:00",""
"1556084","5.761","","15.9645","0.0001","20.7087","0.0002","90","","90","","90","","1904.61","0.02","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N O6 S -","- C22 H17 N O6 S -","- C88 H68 N4 O24 S4 -","4","1","","Wang, Yunsheng; Yang, Jie; Tian, Yu; Fang, Manman; Liao, Qiuyan; Wang, Liwei; Hu, Wenping; Tang, Ben Zhong; Li, Zhen","Persistent organic room temperature phosphorescence: what is the role of molecular dimers?","Chemical Science","2020","11","3","833","838","10.1039/C9SC04632A","","x-ray","1.54184","CuKα","","0.029","0.0282","","","0.0784","0.0791","","","","","","1.037","","","","has coordinates","257427","2020-10-21","18:00:00",""
"1556085","6.6807","0.0002","19.9408","0.0007","14.2683","0.0004","90","","90","","90","","1900.8","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H17 N O4 S -","- C22 H17 N O4 S -","- C88 H68 N4 O16 S4 -","4","0.5","","Wang, Yunsheng; Yang, Jie; Tian, Yu; Fang, Manman; Liao, Qiuyan; Wang, Liwei; Hu, Wenping; Tang, Ben Zhong; Li, Zhen","Persistent organic room temperature phosphorescence: what is the role of molecular dimers?","Chemical Science","2020","11","3","833","838","10.1039/C9SC04632A","","x-ray","1.54184","CuKα","","0.0521","0.0489","","","0.1293","0.1328","","","","","","1.074","","","","has coordinates","257427","2020-10-21","18:00:00",""
"1556261","9.5947","0.0011","4.8799","0.0006","13.6316","0.0016","90","","94.414","0.002","90","","636.35","0.13","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H7 F6 N S -","- C13 H7 F6 N S -","- C26 H14 F12 N2 S2 -","2","1","","Zubkov, Mikhail O.; Kosobokov, Mikhail D.; Levin, Vitalij V.; Kokorekin, Vladimir A.; Korlyukov, Alexander A.; Hu, Jinbo; Dilman, Alexander D.","A novel photoredox-active group for the generation of fluorinated radicals from difluorostyrenes","Chemical Science","2020","11","3","737","741","10.1039/C9SC04643G","","","0.71073","MoKα","","0.0419","0.0352","","","0.0759","0.079","","","","","","1.041","","","","has coordinates","257425","2020-10-21","18:00:00",""
"1556262","8.6198","0.0003","7.7249","0.0003","29.3919","0.0011","90","","91.201","0.001","90","","1956.69","0.13","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F4 N2 S -","- C24 H14 F4 N2 S -","- C96 H56 F16 N8 S4 -","4","1","","Zubkov, Mikhail O.; Kosobokov, Mikhail D.; Levin, Vitalij V.; Kokorekin, Vladimir A.; Korlyukov, Alexander A.; Hu, Jinbo; Dilman, Alexander D.","A novel photoredox-active group for the generation of fluorinated radicals from difluorostyrenes","Chemical Science","2020","11","3","737","741","10.1039/C9SC04643G","","","0.71073","MoKα","","0.0581","0.0408","","","0.1","0.1097","","","","","","1.013","","","","has coordinates","257425","2020-10-21","18:00:00",""
"1556263","11.2568","0.0012","5.8241","0.0007","12.8702","0.0017","90","","112.433","0.004","90","","779.93","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 N2 O2 S2 -","- C20 H12 N2 O2 S2 -","- C40 H24 N4 O4 S4 -","2","0.5","","Li, Tao; Yan, Xiaodong; Liu, Yong; Zhang, Wen-Da; Fu, Qiu-Ting; Zhu, Haiyan; Li, Zaijun; Gu, Zhi-Guo","A 2D covalent organic framework involving strong intramolecular hydrogen bonds for advanced supercapacitors","Polymer Chemistry","2020","11","1","47","52","10.1039/C9PY01623F","","","0.71073","MoKα","","0.0709","0.0413","","","0.0697","0.0774","","","","","","1.053","","","","has coordinates","257935","2020-10-21","18:00:00",""
"1556265","13.4362","0.0006","18.3994","0.0008","20.2998","0.0008","106.666","0.001","108.577","0.001","103.771","0.001","4246.8","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H94 Cl6 F6 N6 O10 Pt2 S2 -","- C76 H94 Cl6 F6 N6 O10 Pt2 S2 -","- C152 H188 Cl12 F12 N12 O20 Pt4 S4 -","2","1","","Leung, Sam Ka-Ming; Chan, Alan Kwun-Wa; Leung, Sammual Yu-Lut; Leung, Ming-Yi; Yam, Vivian Wing-Wah","Supramolecular assembly of bent dinuclear amphiphilic alkynylplatinum(ii) terpyridine complexes: diverse nanostructures through subtle tuning of the mode of molecular stacking.","Chemical science","2020","11","2","499","507","10.1039/c9sc04475b","","","0.71073","MoKα","","0.0995","0.0573","","","0.1129","0.1325","","","","","","1.069","","","","has coordinates,has disorder","250225","2020-10-21","18:00:00",""
"1556406","16.615","0.004","27.205","0.005","13.426","0.003","90","","112.678","0.004","90","","5600","2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CT-1?DMF","(HHTP)(HAT-CN)(6DMF)","","- C54 H54 N18 O12 -","- C54 H54 N18 O12 -","- C216 H216 N72 O48 -","4","1","","Nakashima, Kensuke; Shimizu, Takeshi; Kamakura, Yoshinobu; Hinokimoto, Akira; Kitagawa, Yasutaka; Yoshikawa, Hirofumi; Tanaka, Daisuke","A new design strategy for redox-active molecular assemblies with crystalline porous structures for lithium-ion batteries.","Chemical science","2020","11","1","37","43","10.1039/c9sc04175c","","","0.71075","MoKα","","0.101","0.0619","","","0.1618","0.1931","","","","","","0.995","","","","has coordinates,has disorder","250218","2020-10-21","18:00:00",""
"1556409","10.6925","0.0003","19.6374","0.0005","17.0321","0.0005","90","","101.118","0.003","90","","3509.16","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[{(Mes)N}(OCP)C]B[{N(2,6-iPr-C6H3)}2(CH)2]","","- C37 H47 B N3 O P -","- C37 H47 B N3 O P -","- C148 H188 B4 N12 O4 P4 -","4","1","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.0666","0.0567","","","0.1564","0.1675","","","","","","1.071","","","","has coordinates","257423","2020-10-21","18:00:00",""
"1556410","10.6744","0.0003","13.4621","0.0004","14.8146","0.0004","82.534","0.002","88.654","0.002","84.679","0.002","2101.57","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","[{(Mes)N}{(Mes)NCP}C]B[{N(2,6-iPr-C6H3)}2(CH)2]","","- C46 H58 B N4 P -","- C46 H58 B N4 P -","- C92 H116 B2 N8 P2 -","2","1","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.044","0.0363","","","0.0914","0.0969","","","","","","1.041","","","","has coordinates","257423","2020-10-21","18:00:00",""
"1556411","17.2385","0.0002","10.9928","0.0001","33.0859","0.0004","90","","96.506","0.001","90","","6229.38","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[{(tBu)NC}P]B[{N(2,6-iPr-C6H3)}2(CH)2]","","- C31 H45 B N3 P -","- C31 H45 B N3 P -","- C248 H360 B8 N24 P8 -","8","2","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.0756","0.0641","","","0.1842","0.1946","","","","","","1.11","","","","has coordinates","257423","2020-10-21","18:00:00",""
"1556412","13.0269","0.0002","14.1779","0.0001","14.8915","0.0002","90","","112.746","0.001","90","","2536.47","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(PB[{N(2,6-iPr-C6H3)}2(CH)2])2","","- C52 H72 B2 N4 P2 -","- C52 H72 B2 N4 P2 -","- C104 H144 B4 N8 P4 -","2","0.5","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.0433","0.037","","","0.0967","0.1016","","","","","","1.037","","","","has coordinates","257423","2020-10-21","18:00:00",""
"1556413","18.9679","0.0003","7.4054","0.0001","25.1568","0.0003","90","","107.29","0.001","90","","3373.97","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[{(Mes)NC}P]B[{N(2,6-iPr-C6H3)}2(CH)2]","","- C36 H47 B N3 P -","- C36 H47 B N3 P -","- C144 H188 B4 N12 P4 -","4","1","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.0537","0.0471","","","0.1227","0.1283","","","","","","1.048","","","","has coordinates","257423","2020-10-21","18:00:00",""
"1556414","14.0563","0.0004","14.7947","0.0004","20.1864","0.0005","73.781","0.002","76.257","0.002","67.558","0.002","3684.82","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","cyclo-[(Me2IPr)C(O)CPB[{N(2,6-iPr-C6H3)}2(CH)2]PoB[{N(2,6-iPr-C6H3)}2(CH)2]*1.5hex","","- C74 H113 B2 N6 O2 P2 -","- C74 H113 B2 N6 O2 P2 -","- C148 H226 B4 N12 O4 P4 -","2","1","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.064","0.0523","","","0.1399","0.1508","","","","","","1.043","","","","has coordinates","257423","2020-10-21","18:00:00",""
"1556415","9.3904","0.0001","14.2038","0.0001","20.3914","0.0002","90","","99.177","0.001","90","","2684.98","0.04","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(OCP)B[{N(2,6-iPr-C6H3)}2(CH)2]","","- C27 H36 B N2 O P -","- C27 H36 B N2 O P -","- C108 H144 B4 N8 O4 P4 -","4","1","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.0459","0.04","","","0.1051","0.1106","","","","","","1.017","","","","has coordinates,has disorder","257423","2020-10-21","18:00:00",""
"1556534","11.2525","0.0002","9.2194","0.00013","59.1397","0.0009","90","","93.8053","0.0014","90","","6121.7","0.17","100.03","0.11","100.03","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","TPE-Py","TPE-EP-G","","- C34.5 H29 Cl F6 N P -","- C34.5 H29 Cl F6 N P -","- C276 H232 Cl8 F48 N8 P8 -","8","2","","Khorloo, Michidmaa; Cheng, Yanhua; Zhang, Haoke; Chen, Ming; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Polymorph selectivity of an AIE luminogen under nano-confinement to visualize polymer microstructures","Chemical Science","2020","11","4","997","1005","10.1039/C9SC04239C","","x-ray","1.54184","CuKα","","0.0744","0.0623","","","0.1501","0.1577","","","","","","1.036","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1556535","24.8939","0.0007","9.1783","0.0002","12.5794","0.0003","90","","98.168","0.003","90","","2845.03","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TPE-Py","TPE-EP-Y","","- C34 H28 F6 N P -","- C34 H28 F6 N P -","- C136 H112 F24 N4 P4 -","4","1","","Khorloo, Michidmaa; Cheng, Yanhua; Zhang, Haoke; Chen, Ming; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Polymorph selectivity of an AIE luminogen under nano-confinement to visualize polymer microstructures","Chemical Science","2020","11","4","997","1005","10.1039/C9SC04239C","","x-ray","1.54184","CuKα","","0.0932","0.0869","","","0.2128","0.2163","","","","","","1.019","","","","has coordinates,has disorder","257316","2020-10-21","18:00:00",""
"1556536","6.345","0.0002","14.5492","0.0005","16.7909","0.0007","90","","90","","90","","1550.05","0.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N2 O5 Re -","- C15 H13 N2 O5 Re -","- C60 H52 N8 O20 Re4 -","4","1","","Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M.","Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery","Chemical Science","2020","11","5","1216","1225","10.1039/C9SC05586J","","x-ray","0.71073","MoKα","","0.0517","0.0239","","","0.0424","0.0501","","","","","","1","","","","has coordinates,has disorder","257305","2020-10-21","18:00:00",""
"1556537","9.1929","0.0005","13.3161","0.0007","11.3352","0.0006","90","","106.8","0.002","90","","1328.36","0.12","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N2 O5 Re -","- C13 H9 N2 O5 Re -","- C52 H36 N8 O20 Re4 -","4","1","","Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M.","Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery","Chemical Science","2020","11","5","1216","1225","10.1039/C9SC05586J","","x-ray","0.71073","MoKα","","0.0175","0.0145","","","0.0302","0.0309","","","","","","1.068","","","","has coordinates,has disorder","257305","2020-10-21","18:00:00",""
"1556538","8.5304","0.0005","8.156","0.0005","22.7941","0.0015","90","","96.365","0.002","90","","1576.1","0.17","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N O4 Re S -","- C15 H12 N O4 Re S -","- C60 H48 N4 O16 Re4 S4 -","4","1","","Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M.","Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery","Chemical Science","2020","11","5","1216","1225","10.1039/C9SC05586J","","x-ray","0.71073","MoKα","","0.0285","0.0207","","","0.0355","0.0372","","","","","","1.051","","","","has coordinates","257305","2020-10-21","18:00:00",""
"1556539","20.753","0.002","7.0352","0.0008","13.7941","0.0018","90","","105.388","0.007","90","","1941.8","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H15 Cl N O5 Re -","- C20.5 H15 Cl N O5 Re -","- C82 H60 Cl4 N4 O20 Re4 -","4","1","","Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M.","Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery","Chemical Science","2020","11","5","1216","1225","10.1039/C9SC05586J","","x-ray","0.71073","MoKα","","0.0535","0.0376","","","0.0759","0.0815","","","","","","1.049","","","","has coordinates,has disorder","257305","2020-10-21","18:00:00",""
"1556540","9.108","0.0005","9.5099","0.0005","9.7673","0.0005","70.669","0.002","80.012","0.002","61.781","0.002","703.28","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N2 O6 Re -","- C13 H11 N2 O6 Re -","- C26 H22 N4 O12 Re2 -","2","1","","Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M.","Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery","Chemical Science","2020","11","5","1216","1225","10.1039/C9SC05586J","","x-ray","0.71073","MoKα","","0.0233","0.02","","","0.0378","0.0387","","","","","","1.047","","","","has coordinates,has disorder","257305","2020-10-21","18:00:00",""
"1556541","57.47","0.005","33.556","0.003","39.361","0.007","90","","122.967","0.001","90","","63684","14","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C173 H189 Ag28 Mo4 O21 P12 -","- C173 H189 Ag28 Mo4 O21 P12 -","- C1384 H1512 Ag224 Mo32 O168 P96 -","8","1","","Duan, Guang-Xiong; Han, Jun; Yang, Bao-Zhu; Xie, Yun-Peng; Lu, Xing","Oxometalate and phosphine ligand co-protected silver nanoclusters: Ag<sub>28</sub>(dppb)<sub>6</sub>(MO<sub>4</sub>)<sub>4</sub> and Ag<sub>32</sub>(dppb)<sub>12</sub>(MO<sub>4</sub>)<sub>4</sub>(NO<sub>3</sub>)<sub>4</sub>.","Nanoscale","2020","12","3","1617","1622","10.1039/c9nr07779k","","","0.71073","MoKα","","0.1798","0.1177","","","0.3143","0.3572","","","","","","1.007","","","","has coordinates","247766","2020-10-21","18:00:00",""
"1556542","41.161","0.003","24.6172","0.0013","40.061","0.002","90","","103.141","0.002","90","","39530","4","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C337 H339 Ag32 Mo4 N3 O26 P24 -","- C337 H339 Ag32 Mo4 N3 O26 P24 -","- C1348 H1356 Ag128 Mo16 N12 O104 P96 -","4","1","","Duan, Guang-Xiong; Han, Jun; Yang, Bao-Zhu; Xie, Yun-Peng; Lu, Xing","Oxometalate and phosphine ligand co-protected silver nanoclusters: Ag<sub>28</sub>(dppb)<sub>6</sub>(MO<sub>4</sub>)<sub>4</sub> and Ag<sub>32</sub>(dppb)<sub>12</sub>(MO<sub>4</sub>)<sub>4</sub>(NO<sub>3</sub>)<sub>4</sub>.","Nanoscale","2020","12","3","1617","1622","10.1039/c9nr07779k","","","0.6525","synchrotron","","0.0819","0.0674","","","0.1802","0.1938","","","","","","1.029","","","","has coordinates,has disorder","247766","2020-10-21","18:00:00",""
"1556543","57.246","0.003","33.4588","0.0016","38.553","0.004","90","","120.882","0.001","90","","63375","8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C168 H170 Ag28 O17 P12 W4 -","- C168 H170 Ag28 O17 P12 W4 -","- C1344 H1360 Ag224 O136 P96 W32 -","8","1","","Duan, Guang-Xiong; Han, Jun; Yang, Bao-Zhu; Xie, Yun-Peng; Lu, Xing","Oxometalate and phosphine ligand co-protected silver nanoclusters: Ag<sub>28</sub>(dppb)<sub>6</sub>(MO<sub>4</sub>)<sub>4</sub> and Ag<sub>32</sub>(dppb)<sub>12</sub>(MO<sub>4</sub>)<sub>4</sub>(NO<sub>3</sub>)<sub>4</sub>.","Nanoscale","2020","12","3","1617","1622","10.1039/c9nr07779k","","","0.6525","synchrotron","","0.1762","0.1214","","","0.3161","0.3674","","","","","","1.074","","","","has coordinates","247766","2020-10-21","18:00:00",""
"1556544","7.56183","0.00016","6.59134","0.00014","7.23629","0.00014","90","","90","","90","","360.675","0.013","100","","100","","","","","","","","","3","P n m a","-P 2ac 2n","62","Propionitrile","Propanenitrile","","- C3 H5 N -","- C3 H5 N -","- C12 H20 N4 -","4","0.5","","Brand, Helen E. A.; Gu, Qinfen; Kimpton, Justin A.; Auchettl, Rebecca; Ennis, Courtney","Crystal structure of propionitrile (CH~3~CH~2~CN) determined using synchrotron powder X-ray diffraction","Journal of Synchrotron Radiation","2020","27","1","212","216","10.1107/S1600577519015911","powder diffraction","x-ray","0.99998","synchrotron","","0.0151","","","","","","","","2.658","","","","","","","has coordinates","294980","2024-10-02","06:54:33",""
"1556576","16.5526","0.0007","32.2692","0.0011","32.7633","0.0011","103.703","0.002","102.725","0.002","100.939","0.002","16034.9","1.1","190","1","190","1","","","","","","","","4","P -1","-P 1","2","","Cluster-1","","- C280 H378 O238 Yb42 -","- C280 H378 O238 Yb42 -","- C280 H378 O238 Yb42 -","1","0.5","","Shi, Dongliang; Yang, Xiaoping; Xiao, Zhiyin; Liu, Xiaoming; Chen, Hongfen; Ma, Yanan; Schipper, Desmond; Jones, Richard A.","A 42-metal Yb(iii) nanowheel with NIR luminescent response to anions.","Nanoscale","2020","12","3","1384","1388","10.1039/c9nr09151c","","","0.71073","MoKα","","0.1649","0.0824","","","0.1869","0.2143","","","","","","0.83","","","","has coordinates","247767","2020-10-21","18:00:00",""
"1556577","5.223","0.001","12.435","0.003","5.563","0.0011","90","","111.14","0.03","90","","336.99","0.14","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","alpha-glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon","Polymorph evolution during crystal growth studied by 3D electron diffraction","IUCrJ","2020","7","1","5","9","10.1107/S2052252519016105","","","0.02508","electrons","","0.2468","0.2188","","","0.4858","0.5176","","","","","","1.058","","","","has coordinates","247895","2020-10-21","18:00:00",""
"1556578","5.311","0.0011","6.454","0.0013","5.694","0.0011","90","","112.86","0.03","90","","179.84","0.07","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","beta-glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon","Polymorph evolution during crystal growth studied by 3D electron diffraction","IUCrJ","2020","7","1","5","9","10.1107/S2052252519016105","","","0.02508","electrons","","0.1379","0.1276","","","0.2894","0.2964","","","","","","1.18","","","","has coordinates","247895","2020-10-21","18:00:00",""
"1556579","7.395","0.001","7.395","0.001","5.75","0.0012","90","","90","","120","","272.32","0.08","103","2","103","2","","","","","","","","4","P 31","P 31","144","gamma-glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon","Polymorph evolution during crystal growth studied by 3D electron diffraction","IUCrJ","2020","7","1","5","9","10.1107/S2052252519016105","","","0.02508","electrons","","0.4088","0.3064","","","0.6299","0.7029","","","","","","1.013","","","","has coordinates","247895","2020-10-21","18:00:00",""
"1556599","13.2313","0.0009","30.795","0.002","18.556","0.0012","90","","94.183","0.002","90","","7540.6","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C87.5 H82 Ag2 Fe O7.5 P4 -","- C87.5 H82 Ag2 Fe O7.5 P4 -","- C350 H328 Ag8 Fe4 O30 P16 -","4","2","","Liu, Kuan-Guan; Rouhani, Farzaneh; Gao, Xue-Mei; Abbasi-Azad, Mahsa; Li, Jing-Zhe; Hu, Xiu-De; Wang, Wei; Hu, Mao-Lin; Morsali, Ali","Bilateral photocatalytic mechanism of dye degradation by a designed ferrocene-functionalized cluster under natural sunlight","Catalysis Science & Technology","2020","10","3","757","767","10.1039/C9CY02003A","","","0.71073","MoKα","","0.0392","0.0316","","","0.0638","0.0672","","","","","","1.089","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1556600","24.582","0.003","20.281","0.002","40.461","0.005","90","","90","","90","","20172","4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C122.5 H108.5 Cu2 Fe O7 P6 -","- C122.5 H108.5 Cu2 Fe O7 P6 -","- C980 H868 Cu16 Fe8 O56 P48 -","8","1","","Liu, Kuan-Guan; Rouhani, Farzaneh; Gao, Xue-Mei; Abbasi-Azad, Mahsa; Li, Jing-Zhe; Hu, Xiu-De; Wang, Wei; Hu, Mao-Lin; Morsali, Ali","Bilateral photocatalytic mechanism of dye degradation by a designed ferrocene-functionalized cluster under natural sunlight","Catalysis Science & Technology","2020","10","3","757","767","10.1039/C9CY02003A","","","0.71073","MoKα","","0.0809","0.053","","","0.1197","0.1398","","","","","","1.063","","","","has coordinates,has disorder","257224","2020-10-21","18:00:00",""
"1556629","13.5004","0.0007","5.6062","0.0002","15.1666","0.0008","90","","104.738","0.0015","90","","1110.13","0.09","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7-fluoro-1,3-dimethyl-9H-fluorene","","- C15 H13 F -","- C15 H13 F -","- C60 H52 F4 -","4","1","","Fu, Wai Chung; Kwong, Fuk Yee","A denitrogenative palladium-catalyzed cascade for regioselective synthesis of fluorenes","Chemical Science","2020","11","5","1411","1417","10.1039/C9SC04062E","","","0.71073","MoKα","","0.0605","0.0451","","","0.1128","0.1245","","","","","","1.034","","","","has coordinates","257304","2020-10-21","18:00:00",""
"1556630","11.9227","0.0003","17.3502","0.0004","17.7857","0.0004","90","","90.611","0.001","90","","3678.96","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Br N5 O5 -","- C40 H50 Br N5 O5 -","- C160 H200 Br4 N20 O20 -","4","1","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","","1.54178","CuKα","","0.0897","0.0814","","","0.2343","0.2467","","","","","","1.027","","","","has coordinates","257309","2020-10-21","18:00:00",""
"1556631","10.8554","0.0002","18.2505","0.0002","12.2873","0.0002","90","","105.01","0.001","90","","2351.26","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Cl N2 O -","- C29 H27 Cl N2 O -","- C116 H108 Cl4 N8 O4 -","4","1","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","x-ray","1.54184","CuKα","","0.0555","0.0474","","","0.129","0.1396","","","","","","1.044","","","","has coordinates","257309","2020-10-21","18:00:00",""
"1556632","10.2078","0.0003","19.152","0.0005","18.9514","0.0004","90","","94.804","0.002","90","","3691.98","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H42 Br N3 O -","- C46 H42 Br N3 O -","- C184 H168 Br4 N12 O4 -","4","1","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","x-ray","1.54184","CuKα","","0.087","0.0701","","","0.1909","0.2129","","","","","","1.044","","","","has coordinates,has disorder","257309","2020-10-21","18:00:00",""
"1556633","9.0448","0.0004","14.0503","0.0006","18.8685","0.0006","90","","102.053","0.004","90","","2344.99","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 N3 O -","- C28 H29 N3 O -","- C112 H116 N12 O4 -","4","1","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","x-ray","1.54184","CuKα","","0.0727","0.0527","","","0.1432","0.1669","","","","","","1.032","","","","has coordinates","257309","2020-10-21","18:00:00",""
"1556634","14.485","0.0005","10.8239","0.0005","16.4134","0.0007","90","","90.869","0.003","90","","2573.07","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 Br N2 O -","- C31 H31 Br N2 O -","- C124 H124 Br4 N8 O4 -","4","1","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","x-ray","1.54184","CuKα","","0.0603","0.0444","","","0.1123","0.1261","","","","","","1.015","","","","has coordinates","257309","2020-10-21","18:00:00",""
"1556635","11.80408","0.00014","18.74504","0.00018","31.2581","0.0004","90","","79.1361","0.0011","90","","6792.46","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 N5 O5 -","- C39 H39 N5 O5 -","- C312 H312 N40 O40 -","8","2","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","x-ray","1.54184","CuKα","","0.0596","0.0516","","","0.14","0.1465","","","","","","1.038","","","","has coordinates","257309","2020-10-21","18:00:00",""
"1556636","13.58053","0.00011","20.7753","0.0002","29.2921","0.0003","90","","102.897","0.0009","90","","8055.96","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 Cl2 N3 O -","- C45 H39 Cl2 N3 O -","- C360 H312 Cl16 N24 O8 -","8","2","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","x-ray","1.54184","CuKα","","0.1448","0.1225","","","0.3481","0.378","","","","","","1.431","","","","has coordinates,has disorder","257309","2020-10-21","18:00:00",""
"1556642","10.6022","0.0005","10.6218","0.0005","20.1023","0.001","94.418","0.002","99.288","0.002","100.371","0.002","2184.47","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H67 B2 P3 -","- C50 H67 B2 P3 -","- C100 H134 B4 P6 -","2","1","","Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger","Hydrophosphination of boron‒boron multiple bonds","Chemical Science","2020","11","5","1335","1341","10.1039/C9SC05908C","","","0.71073","MoKα","","0.0385","0.0349","","","0.0842","0.0866","","","","","","1.058","","","","has coordinates","257306","2020-10-21","18:00:00",""
"1556643","10.5062","0.0008","17.5469","0.0013","36.649","0.003","90","","90","","90","","6756.3","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H48 B2 Br P3 -","- C34 H48 B2 Br P3 -","- C272 H384 B16 Br8 P24 -","8","1","","Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger","Hydrophosphination of boron‒boron multiple bonds","Chemical Science","2020","11","5","1335","1341","10.1039/C9SC05908C","","","0.71073","MoKα","","0.0353","0.0294","","","0.0698","0.0727","","","","","","1.057","","","","has coordinates","257306","2020-10-21","18:00:00",""
"1556644","11.8091","0.0005","16.5734","0.0007","17.4767","0.0008","90","","107.828","0.002","90","","3256.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H48 B2 Br P3 -","- C34 H48 B2 Br P3 -","- C136 H192 B8 Br4 P12 -","4","1","","Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger","Hydrophosphination of boron‒boron multiple bonds","Chemical Science","2020","11","5","1335","1341","10.1039/C9SC05908C","","","0.71073","MoKα","","0.0572","0.0391","","","0.1118","0.1289","","","","","","0.9","","","","has coordinates","257306","2020-10-21","18:00:00",""
"1556645","28.3736","0.0016","57.198","0.003","10.0055","0.0005","90","","90","","90","","16238.1","1.5","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C40 H55 B2 Br N2 P2 -","- C40 H55 B2 Br N2 P2 -","- C640 H880 B32 Br16 N32 P32 -","16","1","","Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger","Hydrophosphination of boron‒boron multiple bonds","Chemical Science","2020","11","5","1335","1341","10.1039/C9SC05908C","","","0.71073","MoKα","","0.0483","0.0368","","","0.0701","0.0752","","","","","","0.974","","","","has coordinates","257306","2020-10-21","18:00:00",""
"1556646","11.3635","0.0004","13.09","0.0005","19.2394","0.0006","89.968","0.001","76.353","0.001","70.181","0.001","2606.41","0.16","107","2","107","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H71 B2 N4 P -","- C58 H71 B2 N4 P -","- C116 H142 B4 N8 P2 -","2","1","","Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger","Hydrophosphination of boron‒boron multiple bonds","Chemical Science","2020","11","5","1335","1341","10.1039/C9SC05908C","","","0.71073","MoKα","","0.066","0.0521","","","0.1174","0.127","","","","","","1.031","","","","has coordinates","257306","2020-10-21","18:00:00",""
"1556647","16.8585","0.0005","9.6751","0.0003","15.4623","0.0005","90","","111.832","0.001","90","","2341.14","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 B F10 N -","- C26 H18 B F10 N -","- C104 H72 B4 F40 N4 -","4","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.0547","0.045","","","0.0975","0.1024","","","","","","1.099","","","","has coordinates","257325","2020-10-21","18:00:00",""
"1556648","8.3209","0.0003","11.319","0.0005","19.7803","0.0008","99.399","0.001","98.04","0.001","104.051","0.001","1751.34","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H30 B F10 P -","- C44 H30 B F10 P -","- C88 H60 B2 F20 P2 -","2","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","0.71073","MoKα","","0.0677","0.0536","","","0.105","0.1107","","","","","","1.106","","","","has coordinates","257325","2020-10-21","18:00:00",""
"1556649","9.724","0.0003","14.9525","0.0004","16.4897","0.0005","90","","90","","90","","2397.57","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 B F10 N -","- C27 H20 B F10 N -","- C108 H80 B4 F40 N4 -","4","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.0578","0.0457","","","0.0892","0.0946","","","","","","1.06","","","","has coordinates,has disorder","257325","2020-10-21","18:00:00",""
"1556650","11.605","0.0003","20.1373","0.0004","17.8823","0.0004","90","","102.818","0.002","90","","4074.83","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 B Cl2 F10 P -","- C46 H38 B Cl2 F10 P -","- C184 H152 B4 Cl8 F40 P4 -","4","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.0694","0.051","","","0.1341","0.1472","","","","","","1.026","","","","has coordinates,has disorder","257325","2020-10-21","18:00:00",""
"1556651","11.1982","0.0012","11.5411","0.0013","16.5533","0.0016","96.789","0.006","96.943","0.007","106.576","0.007","2009","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 B Cl2 F10 P -","- C46 H38 B Cl2 F10 P -","- C92 H76 B2 Cl4 F20 P2 -","2","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.097","0.0599","","","0.1448","0.1685","","","","","","1.09","","","","has coordinates","257325","2020-10-21","18:00:00",""
"1556652","12.2953","0.0003","14.3056","0.0003","20.8746","0.0005","90","","100.3","0.001","90","","3612.5","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H28 B F10 P -","- C39 H28 B F10 P -","- C156 H112 B4 F40 P4 -","4","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.0414","0.0359","","","0.0876","0.0909","","","","","","1.022","","","","has coordinates","257325","2020-10-21","18:00:00",""
"1556653","6.4255","0.0004","17.461","0.001","21.2763","0.0013","90","","95.037","0.004","90","","2377.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 B F10 -","- C27 H21 B F10 -","- C108 H84 B4 F40 -","4","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.0544","0.0402","","","0.0943","0.1007","","","","","","1.056","","","","has coordinates","257325","2020-10-21","18:00:00",""
"1556654","12.4783","0.0005","15.7635","0.0006","20.7617","0.0007","102.312","0.002","93.184","0.002","112.263","0.002","3650.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 B F10 P -","- C40 H30 B F10 P -","- C160 H120 B4 F40 P4 -","4","2","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.0697","0.0475","","","0.1127","0.1227","","","","","","1.035","","","","has coordinates,has disorder","257325","2020-10-21","18:00:00",""
"1556655","9.0564","0.001","10.3497","0.0009","21.915","0.002","91.873","0.006","96.63","0.007","96.996","0.006","2022.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H24 B2 F20 N2 -","- C43 H24 B2 F20 N2 -","- C86 H48 B4 F40 N4 -","2","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.114","0.0597","","","0.14","0.1703","","","","","","1.021","","","","has coordinates","257325","2020-10-21","18:00:00",""
"1556673","19.7106","0.0002","9.9489","0.0001","22.7748","0.0002","90","","99.808","0.001","90","","4400.83","0.07","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[(DPFN)Cu2(MeCP)](NTf2)2","","","- C36 H23 Cu2 F14 N8 O8 P S4 -","- C36 H23 Cu2 F14 N8 O8 P S4 -","- C144 H92 Cu8 F56 N32 O32 P4 S16 -","4","1","","Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don","Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex.","Chemical science","2020","11","6","1607","1616","10.1039/c9sc05835d","","","1.39222","CuKβ","","0.0369","0.0327","","","0.1036","0.113","","","","","","0.618","","","","has coordinates","250234","2020-10-21","18:00:00",""
"1556674","12.5211","0.0004","14.8116","0.0005","15.6245","0.0005","76.518","0.002","67.701","0.002","76.651","0.002","2574.23","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","mszxr090","","","- C42 H34 Cu2 F14 N8 O9 S4 -","- C42 H34 Cu2 F14 N8 O9 S4 -","- C84 H68 Cu4 F28 N16 O18 S8 -","2","1","","Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don","Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex.","Chemical science","2020","11","6","1607","1616","10.1039/c9sc05835d","","","0.71073","MoKα","","0.0443","0.0346","","","0.0766","0.0818","","","","","","1.057","","","","has coordinates","250234","2020-10-21","18:00:00",""
"1556675","12.4499","0.0007","12.637","0.0006","18.5946","0.0009","89.354","0.002","84.84","0.002","72.243","0.002","2774.4","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[(DPFN)Cu2tBuCP](NTf2)2","","","- C43 H39 Cu2 F14 N8 O9 P S4 -","- C43 H39 Cu2 F14 N8 O9 P S4 -","- C86 H78 Cu4 F28 N16 O18 P2 S8 -","2","1","","Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don","Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex.","Chemical science","2020","11","6","1607","1616","10.1039/c9sc05835d","","","0.7288","synchrotron","","0.1446","0.1273","","","0.395","0.4173","","","","","","1.888","","","","has coordinates,has disorder","250234","2020-10-21","18:00:00",""
"1556676","10.918","0.0004","20.4455","0.0007","23.1939","0.0008","90","","90","","90","","5177.4","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[(DPFN)Cu2AdCN](NTf2)2","","","- C45 H35 Cu2 F14 N9 O8 S4 -","- C45 H35 Cu2 F14 N9 O8 S4 -","- C180 H140 Cu8 F56 N36 O32 S16 -","4","1","","Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don","Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex.","Chemical science","2020","11","6","1607","1616","10.1039/c9sc05835d","","","0.7288","synchrotron","","0.0538","0.0503","","","0.1329","0.1374","","","","","","1.058","","","","has coordinates","250234","2020-10-21","18:00:00",""
"1556677","18.6915","0.0008","16.5896","0.0007","18.8035","0.0009","90","","96.346","0.002","90","","5794.9","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[(DPFN)Cu2PCAd](NTf2)2","","","- C45 H35 Cu2 F14 N8 O8 P S4 -","- C45 H35 Cu2 F14 N8 O8 P S4 -","- C180 H140 Cu8 F56 N32 O32 P4 S16 -","4","1","","Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don","Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex.","Chemical science","2020","11","6","1607","1616","10.1039/c9sc05835d","","","0.7288","synchrotron","","0.0853","0.0748","","","0.2019","0.2109","","","","","","1.028","","","","has coordinates,has disorder","250234","2020-10-21","18:00:00",""
"1556703","22.2613","0.001","26.916","0.0012","28.2117","0.001","83.387","0.003","73.393","0.003","69.33","0.004","15154.3","1.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C65.25 N4 O8 S2 -","- C65.25 N4 O8 S2 -","- C522 N32 O64 S16 -","8","4","","Su, Feng; Chen, Shuqi; Mo, Xiaogang; Wu, Kongchuan; Wu, Jiajun; Lin, Weidong; Lin, Zhiwei; Lin, Jianbin; Zhang, Hui-Jun; Wen, Ting-Bin","Trisulfur radical anion-triggered stitching thienannulation: rapid access to largely π-extended thienoacenes","Chemical Science","2020","11","6","1503","1509","10.1039/C9SC05332H","","","1.54184","CuKα","","0.2897","0.2079","","","0.456","0.4898","","","","","","1.216","","","","has coordinates","257322","2020-10-21","18:00:00",""
"1556704","22.0328","0.001","21.2168","0.0007","33.589","0.003","90","","102.198","0.005","90","","15347.2","1.6","100","0.11","100","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 N4 O8 S3 -","- C37 N4 O8 S3 -","- C148 N16 O32 S12 -","4","2","","Su, Feng; Chen, Shuqi; Mo, Xiaogang; Wu, Kongchuan; Wu, Jiajun; Lin, Weidong; Lin, Zhiwei; Lin, Jianbin; Zhang, Hui-Jun; Wen, Ting-Bin","Trisulfur radical anion-triggered stitching thienannulation: rapid access to largely π-extended thienoacenes","Chemical Science","2020","11","6","1503","1509","10.1039/C9SC05332H","","x-ray","1.54184","CuKα","","0.2265","0.1541","","","0.3571","0.407","","","","","","1.025","","","","has coordinates","257322","2020-10-21","18:00:00",""
"1556719","7.2702","0.0008","8.7819","0.0009","13.6782","0.0008","98.564","0.007","100.026","0.007","104.633","0.01","814.84","0.14","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N O S -","- C21 H19 N O S -","- C42 H38 N2 O2 S2 -","2","1","","Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones","Chemical Science","2020","11","5","1353","1360","10.1039/C9SC05311E","","x-ray","1.54184","CuKα","","0.0559","0.0436","","","0.1046","0.1158","","","","","","1.032","","","","has coordinates,has disorder","257308","2020-10-21","18:00:00",""
"1556720","11.42288","0.00017","8.41061","0.00012","28.0872","0.0003","90","","100.454","0.0013","90","","2653.64","0.06","110","0.1","110","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O -","- C18 H13 N O -","- C144 H104 N8 O8 -","8","2","","Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones","Chemical Science","2020","11","5","1353","1360","10.1039/C9SC05311E","","x-ray","1.54184","CuKα","","0.0404","0.0337","","","0.0811","0.0858","","","","","","1.057","","","","has coordinates","257308","2020-10-21","18:00:00",""
"1556721","5.81156","0.00011","17.547","0.0003","18.1227","0.0003","90","","90","","90","","1848.07","0.06","110","0.1","110","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N O S -","- C24 H19 N O S -","- C96 H76 N4 O4 S4 -","4","1","","Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones","Chemical Science","2020","11","5","1353","1360","10.1039/C9SC05311E","","x-ray","1.54184","CuKα","","0.0285","0.0273","","","0.0676","0.0684","","","","","","1.046","","","","has coordinates","257308","2020-10-21","18:00:00",""
"1556722","7.4225","0.00012","9.90594","0.00016","19.5109","0.0003","90","","90","","90","","1434.57","0.04","110","0.1","110","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones","Chemical Science","2020","11","5","1353","1360","10.1039/C9SC05311E","","x-ray","1.54184","CuKα","","0.0257","0.0243","","","0.0605","0.0619","","","","","","1.099","","","","has coordinates","257308","2020-10-21","18:00:00",""
"1556723","8.7543","0.0005","9.971","0.0006","11.6327","0.0006","81.846","0.004","74.281","0.005","81.076","0.005","960.27","0.1","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N O S -","- C25 H21 N O S -","- C50 H42 N2 O2 S2 -","2","1","","Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones","Chemical Science","2020","11","5","1353","1360","10.1039/C9SC05311E","","x-ray","1.54184","CuKα","","0.0334","0.0318","","","0.0796","0.0808","","","","","","1.052","","","","has coordinates","257308","2020-10-21","18:00:00",""
"1556724","12.704","0.002","12.704","0.002","12.678","0.002","90","","90","","90","","2046.1","0.6","100","","100","","","","","","","","","4","P 4/n :2","-P 4a","85","","Au4Pt2(S-isopropyl)8","","- C24 Au4 Pt2 S8 -","- C24 Au4 Pt2 S8 -","- C48 Au8 Pt4 S16 -","2","0.25","","Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi","Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters","Materials Horizons","2020","7","3","796","803","10.1039/C9MH01691K","","x-ray","0.71073","MoKα","","0.0587","0.0531","","","0.1483","0.1515","","","","","","1.138","","","","has coordinates,has disorder","258158","2020-10-21","18:00:00",""
"1556725","44.07","0.006","14.7091","0.0019","31.214","0.004","90","","98.553","0.002","90","","20009","5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Au4Pt2(SCH2PhtBu)8","","- C98.5 H128 Au4 Pt2 S8 -","- C98.5 H128 Au4 Pt2 S8 -","- C788 H1024 Au32 Pt16 S64 -","8","1","","Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi","Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters","Materials Horizons","2020","7","3","796","803","10.1039/C9MH01691K","","x-ray","0.71073","MoKα","","0.0586","0.0317","","","0.0634","0.072","","","","","","1.015","","","","has coordinates","258158","2020-10-21","18:00:00",""
"1556726","18.0367","0.0017","30.034","0.003","24.6","0.002","90","","94.589","0.001","90","","13283","2","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Au4Pt2(SC2H4Ph)8 polymer","","- C67.5 H76 Au4 Pt2 S8 -","- C67.5 H76 Au4 Pt2 S8 -","- C540 H608 Au32 Pt16 S64 -","8","2","","Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi","Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters","Materials Horizons","2020","7","3","796","803","10.1039/C9MH01691K","","","0.71073","MoKα","","0.0818","0.0409","","","0.0705","0.0822","","","","","","0.994","","","","has coordinates","258158","2020-10-21","18:00:00",""
"1556727","30.11","0.007","30.11","0.007","15.878","0.005","90","","90","","90","","14395","7","100","","100","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C56 Au4 Cl8 Pt2 S8 -","- C56 Au4 Cl8 Pt2 S8 -","- C448 Au32 Cl64 Pt16 S64 -","8","0.25","","Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi","Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters","Materials Horizons","2020","7","3","796","803","10.1039/C9MH01691K","","x-ray","0.71073","MoKα","","0.148","0.1038","","","0.3015","0.3552","","","","","","1.098","","","","has coordinates","258158","2020-10-21","18:00:00",""
"1556728","12.5672","0.0018","13.4332","0.0019","14.366","0.002","110.038","0.001","107.982","0.001","103.327","0.001","2007.8","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H104 Au4 Pt2 S8 -","- C80 H104 Au4 Pt2 S8 -","- C80 H104 Au4 Pt2 S8 -","1","0.5","","Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi","Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters","Materials Horizons","2020","7","3","796","803","10.1039/C9MH01691K","","x-ray","0.71073","MoKα","","0.0263","0.0238","","","0.0625","0.0638","","","","","","1.062","","","","has coordinates","258158","2020-10-21","18:00:00",""
"1556729","35.908","0.005","27.784","0.003","33.126","0.004","90","","96.494","0.003","90","","32837","7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Ba0.45 Ce1.04 K0.55 Na5.62 O76.74 Si18.76 Ti6 -","- Ba0.45 Ce1.0425 K0.549 Na5.6205 O76.7345 Si18.761 Ti6 -","- Ba7.2 Ce16.68 K8.784 Na89.928 O1227.75 Si300.176 Ti96 -","16","2","","Zolotarev, Jr, Andrey A.; Krivovichev, Sergey V.; Cámara, Fernando; Bindi, Luca; Zhitova, Elena S.; Hawthorne, Frank; Sokolova, Elena","Extraordinary structural complexity of ilmajokite: a multilevel hierarchical framework structure of natural origin","IUCrJ","2020","7","1","121","128","10.1107/S2052252519016622","","","0.71073","MoKα","","0.1129","0.0807","","","0.2338","0.2638","","","","","","0.969","","","","has coordinates","247893","2020-10-21","18:00:00",""
"1556730","9.959","0.004","11.731","0.004","12.842","0.005","90","","90","","90","","1500.3","1","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C80 H96 O8 -","4","1","","Fatima, Syeda Saima; Kumar, Rajesh; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal engineering of exemestane to obtain a co-crystal with enhanced urease inhibition activity","IUCrJ","2020","7","1","105","112","10.1107/S2052252519016142","","","0.71073","MoKα","","0.1518","0.0568","","","0.1362","0.1924","","","","","","0.871","","","","has coordinates","247894","2020-10-21","18:00:00",""
"1556731","10.3797","0.0014","8.3706","0.0011","10.7275","0.0014","90","","105.568","0.003","90","","897.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H28 N2 O2 S -","- C21 H28 N2 O2 S -","- C42 H56 N4 O4 S2 -","2","1","","Fatima, Syeda Saima; Kumar, Rajesh; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal engineering of exemestane to obtain a co-crystal with enhanced urease inhibition activity","IUCrJ","2020","7","1","105","112","10.1107/S2052252519016142","","","0.71073","MoKα","","0.0734","0.0473","","","0.0968","0.11","","","","","","1.024","","","","has coordinates","247894","2020-10-21","18:00:00",""
"1556844","9.6381","0.0005","11.485","0.0006","19.0369","0.0009","85.238","0.004","75.946","0.004","75.838","0.005","1981.44","0.18","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H57 B N2 O2 -","- C45 H57 B N2 O2 -","- C90 H114 B2 N4 O4 -","2","1","","Bhunia, Mrinal; Sahoo, Sumeet Ranjan; Das, Arpan; Ahmed, Jasimuddin; P., Sreejyothi; Mandal, Swadhin K.","Transition metal-free catalytic reduction of primary amides using an abnormal NHC based potassium complex: integrating nucleophilicity with Lewis acidic activation","Chemical Science","2020","11","7","1848","1854","10.1039/C9SC05953A","","x-ray","1.54184","CuKα","","0.0626","0.0484","","","0.1208","0.1314","","","","","","1.019","","","","has coordinates","257362","2020-10-21","18:00:00",""
"1556845","21.515","0.0017","24.1156","0.0017","35.321","0.003","81.037","0.004","78.006","0.004","68.595","0.004","16625","2","170","","170","","","","","","","","","10","P -1","-P 1","2","","","","- C244 H327 Ag31 Cl5 F24 O2 P6 Pt S16 Sb4 -","- C244 H327 Ag31 Cl5 F24 O2 P6 Pt S16 Sb4 -","- C488 H654 Ag62 Cl10 F48 O4 P12 Pt2 S32 Sb8 -","2","1","","Kang, Xi; Jin, Shan; Xiong, Lin; Wei, Xiao; Zhou, Manman; Qin, Chenwanli; Pei, Yong; Wang, Shuxin; Zhu, Manzhou","Nanocluster growth <i>via</i> ""graft-onto"": effects on geometric structures and optical properties.","Chemical science","2020","11","6","1691","1697","10.1039/c9sc05700e","","","0.71073","MoKα","","0.1297","0.0746","","","0.1872","0.2093","","","","","","1.061","","","","has coordinates","250235","2020-10-21","18:00:00",""
"1556846","5.6044","0.0001","9.5819","0.0002","26.472","0.0005","90","","90","","90","","1421.57","0.05","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 F9 O2 -","- C11 H13 F9 O2 -","- C44 H52 F36 O8 -","4","1","","Sperandio, Céline; Rodriguez, Jean; Quintard, Adrien","Development of copper-catalyzed enantioselective decarboxylative aldolization for the preparation of perfluorinated 1,3,5-triols featuring supramolecular recognition properties.","Chemical science","2020","11","6","1629","1635","10.1039/c9sc05196a","","x-ray","1.54184","CuKα","","0.0508","0.0493","","","0.1393","0.1416","","","","","","1.064","","","","has coordinates","250229","2020-10-21","18:00:00",""
"1556847","4.9029","0.0001","9.8824","0.0002","10.7838","0.0003","90","","100.543","0.003","90","","513.68","0.02","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H10 F6 O3 -","- C7 H10 F6 O3 -","- C14 H20 F12 O6 -","2","1","","Sperandio, Céline; Rodriguez, Jean; Quintard, Adrien","Development of copper-catalyzed enantioselective decarboxylative aldolization for the preparation of perfluorinated 1,3,5-triols featuring supramolecular recognition properties.","Chemical science","2020","11","6","1629","1635","10.1039/c9sc05196a","","x-ray","1.54184","CuKα","","0.0327","0.0323","","","0.0892","0.0897","","","","","","1.08","","","","has coordinates","250229","2020-10-21","18:00:00",""
"1556849","11.7327","0.0012","9.6358","0.0009","13.0361","0.0013","90","","90","","90","","1473.8","0.3","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H6 F6 N2 O2 -","- C16 H6 F6 N2 O2 -","- C64 H24 F24 N8 O8 -","4","0.5","","Liu, Jingfeng; Meng, Qingjie; Li, Liying; Lu, Gewu; Yuan, Hang; Cui, Lei; Liu, Xia; Mu, Hongliang; Ji, Jingjing; Zhou, Defeng; Wang, Zhen; Yan, Jingling","A high-performance polycyanurate network derived from 4,4′-biscyanato-2,2′-trifluoromethylbiphenyl","Polymer Chemistry","2020","11","4","784","788","10.1039/C9PY01610D","","","0.71073","MoKα","","0.0526","0.0425","","","0.1028","0.1105","","","","","","1.04","","","","has coordinates","257936","2020-10-21","18:00:00",""
"1556851","5.512","0.0003","27.2877","0.0014","16.0208","0.0008","90","","90","","90","","2409.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 N O S2 -","- C29 H31 N O S2 -","- C116 H124 N4 O4 S8 -","4","1","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions.","The Analyst","2020","145","5","1667","1676","10.1039/c9an02466b","","","0.71073","MoKα","","0.07","0.0399","","","0.0835","0.0896","","","","","","1.006","","","","has coordinates","248793","2020-10-21","18:00:00",""
"1556852","11.4995","0.0019","13.626","0.002","14.631","0.003","79.476","0.004","69.652","0.004","70.613","0.003","2021.8","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 N2 O S3 -","- C21 H24 N2 O S3 -","- C84 H96 N8 O4 S12 -","4","2","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions.","The Analyst","2020","145","5","1667","1676","10.1039/c9an02466b","","","0.71073","MoKα","","0.1852","0.1091","","","0.2266","0.2666","","","","","","1.054","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1556853","25.8366","0.0002","25.8366","0.0002","25.8366","0.0002","90","","90","","90","","17246.7","0.2","173","2","173","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","EJAntraL/DCM+AgClO4/MeOH->Layer","","","- C174 H186 Ag6 Cl6 N6 O30 S12 -","- C174 H186 Ag6 Cl6 N6 O30 S12 -","- C696 H744 Ag24 Cl24 N24 O120 S48 -","4","0.166667","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions.","The Analyst","2020","145","5","1667","1676","10.1039/c9an02466b","","","0.71073","MoKa","","0.2838","0.1332","","","0.3994","0.4934","","","","","","1.017","","","","has coordinates,has disorder","248793","2020-10-21","18:00:00",""
"1556854","27.888","0.003","14.9539","0.0016","7.2021","0.0008","90","","95.118","0.002","90","","2991.5","0.6","173","2","173","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C22 H26 Ag Cl2 F6 N2 O P S3 -","- C22 H26 Ag Cl2 F6 N2 O P S3 -","- C88 H104 Ag4 Cl8 F24 N8 O4 P4 S12 -","4","1","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions.","The Analyst","2020","145","5","1667","1676","10.1039/c9an02466b","","","0.71073","MoKα","","0.0471","0.044","","","0.1225","0.1246","","","","","","1.063","","","","has coordinates","248793","2020-10-21","18:00:00",""
"1556855","12.902","0.003","21.339","0.004","11.771","0.002","90","","116.33","0.03","90","","2904.5","1.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cl2 Hg N2 O10 S3 -","- C24 H30 Cl2 Hg N2 O10 S3 -","- C96 H120 Cl8 Hg4 N8 O40 S12 -","4","1","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions.","The Analyst","2020","145","5","1667","1676","10.1039/c9an02466b","","","0.71073","MoKα","","0.0524","0.046","","","0.127","0.1309","","","","","","1.045","","","","has coordinates","248793","2020-10-21","18:00:00",""
"1556856","10.0374","0.0015","31.171","0.006","8.3311","0.0014","90","","90","","90","","2606.6","0.8","173","2","173","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C21 H24 Hg I2 N2 O S3 -","- C21 H24 Hg I2 N2 O S3 -","- C84 H96 Hg4 I8 N8 O4 S12 -","4","0.5","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions.","The Analyst","2020","145","5","1667","1676","10.1039/c9an02466b","","","0.71073","MoKα","","0.0349","0.0345","","","0.1024","0.1028","","","","","","1.024","","","","has coordinates","248793","2020-10-21","18:00:00",""
"1556860","19.2423","0.0008","10.9261","0.0005","21.5899","0.001","90","","106.046","0.002","90","","4362.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H44 Cl F5 N4 Ni -","- C45 H44 Cl F5 N4 Ni -","- C180 H176 Cl4 F20 N16 Ni4 -","4","1","","Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes","Chemical Science","2020","11","5","1260","1268","10.1039/C9SC04879K","","","1.54178","CuKα","","0.0526","0.0443","","","0.1209","0.1273","","","","","","1.031","","","","has coordinates","257307","2020-10-21","18:00:00",""
"1556861","12.0799","0.0004","14.6404","0.0005","24.1769","0.001","90","","91.408","0.002","90","","4274.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H50 F5 N3 Ni -","- C45 H50 F5 N3 Ni -","- C180 H200 F20 N12 Ni4 -","4","1","","Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes","Chemical Science","2020","11","5","1260","1268","10.1039/C9SC04879K","","","1.54178","CuKα","","0.0595","0.0392","","","0.089","0.0961","","","","","","1.032","","","","has coordinates","257307","2020-10-21","18:00:00",""
"1556862","9.5949","0.0007","11.8426","0.001","18.3253","0.0014","92.953","0.003","104.293","0.002","100.626","0.002","1972.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H45 F5 N3 Ni -","- C44 H45 F5 N3 Ni -","- C88 H90 F10 N6 Ni2 -","2","1","","Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes","Chemical Science","2020","11","5","1260","1268","10.1039/C9SC04879K","","","0.71073","MoKα","","0.0722","0.0517","","","0.1334","0.1477","","","","","","1.044","","","","has coordinates","257307","2020-10-21","18:00:00",""
"1556863","14.1294","0.0009","16.6197","0.0008","15.8282","0.0008","90","","90","","90","","3716.9","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C45 H49 F5 N3 Ni -","- C45 H49 F5 N3 Ni -","- C180 H196 F20 N12 Ni4 -","4","1","","Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes","Chemical Science","2020","11","5","1260","1268","10.1039/C9SC04879K","","","1.54178","CuKα","","0.1623","0.0792","","","0.18","0.2265","","","","","","1.037","","","","has coordinates,has disorder","257307","2020-10-21","18:00:00",""
"1556864","17.7017","0.0003","15.1269","0.0002","13.141","0.0002","90","","109.571","0.002","90","","3315.5","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H39 F5 N3 Ni -","- C40 H39 F5 N3 Ni -","- C160 H156 F20 N12 Ni4 -","4","1","","Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes","Chemical Science","2020","11","5","1260","1268","10.1039/C9SC04879K","","","1.54178","CuKα","","0.0558","0.0444","","","0.1174","0.1266","","","","","","1.036","","","","has coordinates","257307","2020-10-21","18:00:00",""
"1556865","8.2007","0.0005","7.7793","0.0005","24.6164","0.0018","90","","90","","90","","1570.42","0.18","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H8 I2 N2 O7 -","- C12 H8 I2 N2 O7 -","- C48 H32 I8 N8 O28 -","4","1","","Zhang, Guangtao; Wang, Yuanxun; Xu, Jun; Sun, Jiyun; Sun, Fengxia; Zhang, Yilin; Zhang, Chenglin; Du, Yunfei","A new hypervalent iodine(iii/v) oxidant and its application to the synthesis of 2H-azirines","Chemical Science","2020","11","4","947","953","10.1039/C9SC05536C","","x-ray","1.54184","CuKα","","0.0662","0.0533","","","0.1252","0.1323","","","","","","1.098","","","","has coordinates","257317","2020-10-21","18:00:00",""
"1556866","9.035","0.0004","12.0924","0.0006","14.7514","0.0007","92.899","0.002","103.022","0.002","103.134","0.002","1520.32","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H50 B2 -","- C36 H50 B2 -","- C72 H100 B4 -","2","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.0857","0.0708","","","0.1918","0.209","","","","","","1.224","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1556867","10.6036","0.0003","17.5824","0.0005","17.446","0.0005","90","","125.621","0.001","90","","2643.98","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TMB + diphenylketene","","","- C32 H35 B O -","- C32 H35 B O -","- C128 H140 B4 O4 -","4","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.066","0.0561","","","0.1369","0.1426","","","","","","1.075","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1556868","10.0358","0.0004","12.1076","0.0006","43.226","0.002","90","","90","","90","","5252.4","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H31 B O -","- C34 H31 B O -","- C272 H248 B8 O8 -","8","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.0605","0.0542","","","0.1396","0.1484","","","","","","1.19","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1556869","11.5545","0.001","17.3432","0.0016","25.028","0.002","90","","95.757","0.002","90","","4990.1","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H60 Cl2 N4 O2 Ru -","- C60 H58 N4 O2 Ru -","- C240 H232 N16 O8 Ru4 -","4","1","","Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming","Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.","Chemical science","2020","11","8","2243","2259","10.1039/c9sc05432d","","","0.71073","MoKα","","0.071","0.049","","","0.0905","0.0977","","","","","","1.061","","","","has coordinates","250219","2020-10-21","18:00:00",""
"1556870","11.0536","0.0007","11.1353","0.0007","11.8926","0.0007","97.46","0.003","108.927","0.004","107.647","0.003","1276.53","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H52 F4 N4 Os -","- C64 H52 F4 N4 Os -","- C64 H52 F4 N4 Os -","1","0.5","","Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming","Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.","Chemical science","2020","11","8","2243","2259","10.1039/c9sc05432d","","","1.34138","GaKα","","0.0567","0.0517","","","0.127","0.1315","","","","","","1.107","","","","has coordinates,has disorder","250219","2020-10-21","18:00:00",""
"1556871","10.5317","0.0015","14.347","0.002","17.434","0.003","76.71","0.005","80.147","0.004","84.826","0.004","2522.3","0.7","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C59 H27 F20 Fe N5 -","- C59 H27 F20 Fe N5 -","- C118 H54 F40 Fe2 N10 -","2","2","","Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming","Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.","Chemical science","2020","11","8","2243","2259","10.1039/c9sc05432d","","","1.34138","GaKα","","0.1307","0.0898","","","0.2437","0.2779","","","","","","1.082","","","","has coordinates,has disorder","250219","2020-10-21","18:00:00",""
"1556872","11.3588","0.0011","13.5043","0.0014","16.5422","0.0015","85.786","0.003","84.24","0.003","70.986","0.003","2384.6","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H50 Cl3 D Fe N4 -","- C58 H50 Fe N4 -","- C116 H100 Fe2 N8 -","2","1","","Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming","Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.","Chemical science","2020","11","8","2243","2259","10.1039/c9sc05432d","","","0.71073","MoKα","","0.0904","0.0588","","","0.1175","0.1308","","","","","","1.029","","","","has coordinates","250219","2020-10-21","18:00:00",""
"1556873","24.815","0.006","20.891","0.005","24.043","0.005","90","","100.174","0.007","90","","12268","5","149","2","149","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65.5 H39.5 F20 N8 Ru -","- C64 H36 F20 N8 Ru -","- C512 H288 F160 N64 Ru8 -","8","1","","Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming","Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.","Chemical science","2020","11","8","2243","2259","10.1039/c9sc05432d","","","1.34138","GaKα","","0.1462","0.1093","","","0.2887","0.3252","","","","","","1.194","","","","has coordinates","250219","2020-10-21","18:00:00",""
"1556874","21.313","0.006","9.951","0.003","24.687","0.006","90","","107.778","0.011","90","","4986","2","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 Cu F12 N6 O2 P2 -","- C48 H54 Cu F12 N6 O2 P2 -","- C192 H216 Cu4 F48 N24 O8 P8 -","4","1","","Ryan, Michael C.; Kim, Yeon Jung; Gerken, James B.; Wang, Fei; Aristov, Michael M.; Martinelli, Joseph R.; Stahl, Shannon S.","Mechanistic insights into copper-catalyzed aerobic oxidative coupling of N‒N bonds","Chemical Science","2020","11","4","1170","1175","10.1039/C9SC04305E","","x-ray","0.71073","MoKα","","0.0327","0.0275","","","0.0698","0.0725","","","","","","1.035","","","","has coordinates,has disorder","257312","2020-10-21","18:00:00",""
"1556875","33.357","0.0002","32.3478","0.0003","45.8124","0.0003","90","","102.32","0.001","90","","48294.4","0.6","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C311.2 H387.9 B90.2 F18 Fe4 N55.5 O36 S6 -","- C303 H387.9 B98.4 F18 Fe4 N55.5 O36 S6 -","- C1212 H1551.6 B393.6 F72 Fe16 N222 O144 S24 -","4","1","","Lu, Zhenpin; Ronson, Tanya K.; Nitschke, Jonathan R.","Reversible reduction drives anion ejection and C60 binding within an FeII4L6 cage","Chemical Science","2020","11","4","1097","1101","10.1039/C9SC05728E","","","0.6889","Synchrotron","","0.1256","0.103","","","0.2631","0.2822","","","","","","1.027","","","","has coordinates,has disorder","257314","2020-10-21","18:00:00",""
"1556876","7.7711","0.0003","10.3961","0.0004","12.6341","0.0005","113.062","0.002","96.284","0.002","98.114","0.002","914.39","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H42 N2 S8 Sn2 -","- C26 H42 N2 S8 Sn2 -","- C26 H42 N2 S8 Sn2 -","1","0.5","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","x-ray","0.71073","MoKα","","0.0343","0.0271","","","0.0569","0.059","","","","","","1.081","","","","has coordinates","257313","2020-10-21","18:00:00",""
"1556877","12.734","0.002","31.568","0.005","18.543","0.003","90","","107.358","0.003","90","","7115","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C120 H88 B2 F48 Fe2 O2 S8 Sn2 -","- C120 H88 B2 F48 Fe2 O2 S8 Sn2 -","- C240 H176 B4 F96 Fe4 O4 S16 Sn4 -","2","0.5","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","x-ray","0.41328","synchrotron","","0.1035","0.0678","","","0.1719","0.1966","","","","","","1.028","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556878","9.5804","0.0015","23.505","0.004","30.294","0.005","90","","97.92","0.004","90","","6756.8","1.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C57 H53.5 B F24 N0.5 O0.5 S8 Sn2 -","- C57 H53.5 B F24 N0.5 O0.5 S8 Sn2 -","- C228 H214 B4 F96 N2 O2 S32 Sn8 -","4","1","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","x-ray","0.71073","MoKα","","0.1244","0.082","","","0.1755","0.1992","","","","","","1.065","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556879","40.752","0.003","18.985","0.0012","17.7197","0.0011","90","","107.903","0.002","90","","13045.5","1.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C122 H72 B2 F48 Ni2 P4 S8 -","- C122 H72 B2 F48 Ni2 P4 S8 -","- C488 H288 B8 F192 Ni8 P16 S32 -","4","0.5","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","","0.71073","MoKα","","0.0617","0.042","","","0.0906","0.0987","","","","","","1.013","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556880","14.1624","0.0015","18.3974","0.0019","20.189","0.002","94.073","0.002","103.397","0.002","106.515","0.002","4852.9","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H60 B F24 Ni2 P4 S8 -","- C90 H60 B F24 Ni2 P4 S8 -","- C180 H120 B2 F48 Ni4 P8 S16 -","2","1","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","x-ray","0.41328","synchrotron","","0.0416","0.0352","","","0.091","0.0963","","","","","","1.047","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556881","12.9111","0.0017","15.863","0.002","16.368","0.002","88.537","0.003","88.979","0.003","69.195","0.003","3132.6","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C102 H92 B2 F48 O4 S8 Sn2 -","- C102 H92 B2 F48 O4 S8 Sn2 -","- C102 H92 B2 F48 O4 S8 Sn2 -","1","0.5","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","","0.71073","MoKα","","0.1437","0.0977","","","0.2003","0.2241","","","","","","1.087","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556882","13.503","0.003","19.054","0.004","28.239","0.006","105.082","0.005","91.975","0.004","90.73","0.005","7009","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C106 H68 B F24 Fe2 P4 Pd2 S8 -","- C106 H68 B F24 Fe2 P4 Pd2 S8 -","- C212 H136 B2 F48 Fe4 P8 Pd4 S16 -","2","1","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","","0.71073","MoKα","","0.1467","0.0914","","","0.1827","0.2038","","","","","","1.07","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556883","29.421","0.004","31.324","0.005","35.123","0.005","92.011","0.003","91.984","0.003","99.304","0.003","31897","8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C540 H360 B6 F144 P24 Pd12 S48 -","- C540 H360 B6 F144 P24 Pd12 S48 -","- C1080 H720 B12 F288 P48 Pd24 S96 -","2","1","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","","0.71073","MoKα","","0.2699","0.177","","","0.3523","0.3959","","","","","","1.204","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556884","8.20579","0.00016","29.4208","0.0008","16.5731","0.0003","90","","93.223","0.002","90","","3994.76","0.15","180","0.1","180","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H36 F6 N3 O3 P -","- C40 H36 F6 N3 O3 P -","- C160 H144 F24 N12 O12 P4 -","4","2","","Duwald, Romain; Bosson, Johann; Pascal, Simon; Grass, Stéphane; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Jacquemin, Denis; Lacour, Jérôme","Merging polyacenes and cationic helicenes: from weak to intense chiroptical properties in the far red region","Chemical Science","2020","11","4","1165","1169","10.1039/C9SC05407C","","x-ray","1.54184","CuKα","","0.0903","0.0679","","","0.1859","0.2124","","","","","","1.01","","","","has coordinates,has disorder","257315","2020-10-21","18:00:00",""
"1556885","27.6234","0.0011","16.7146","0.0005","21.7661","0.0009","90","","106.545","0.004","90","","9633.6","0.7","180","0.1","180","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61 H46 F6 N5 O2 P -","- C61 H46 F6 N5 O2 P -","- C488 H368 F48 N40 O16 P8 -","8","1","","Duwald, Romain; Bosson, Johann; Pascal, Simon; Grass, Stéphane; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Jacquemin, Denis; Lacour, Jérôme","Merging polyacenes and cationic helicenes: from weak to intense chiroptical properties in the far red region","Chemical Science","2020","11","4","1165","1169","10.1039/C9SC05407C","","x-ray","1.54184","CuKα","","0.0921","0.0542","","","0.1332","0.1556","","","","","","1.023","","","","has coordinates,has disorder","257315","2020-10-21","18:00:00",""
"1556886","11.678","0.0004","12.9347","0.0005","27.785","0.009","90","","90.912","0.008","90","","4196.4","1.4","180.01","0.1","180.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C95 H78 Cl6 F12 N6 O2 P2 -","- C95 H78 Cl6 F12 N6 O2 P2 -","- C190 H156 Cl12 F24 N12 O4 P4 -","2","0.5","","Duwald, Romain; Bosson, Johann; Pascal, Simon; Grass, Stéphane; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Jacquemin, Denis; Lacour, Jérôme","Merging polyacenes and cationic helicenes: from weak to intense chiroptical properties in the far red region","Chemical Science","2020","11","4","1165","1169","10.1039/C9SC05407C","","x-ray","1.54184","CuKα","","0.0822","0.067","","","0.1913","0.2057","","","","","","1.04","","","","has coordinates,has disorder","257315","2020-10-21","18:00:00",""
"1556888","14.8945","0.0001","12.1188","0.0001","10.2846","0.0001","90","","105.825","0.001","90","","1786.05","0.03","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F4 N2 O4 S -","- C18 H14 F4 N2 O4 S -","- C72 H56 F16 N8 O16 S4 -","4","1","","Korlyukov, Alexander A.; Malinska, Maura; Vologzhanina, Anna V.; Goizman, Mikhail S.; Trzybinski, Damian; Wozniak, Krzysztof","Charge density view on bicalutamide molecular interactions in the monoclinic polymorph and androgen receptor binding pocket","IUCrJ","2020","7","1","71","82","10.1107/S2052252519014416","","","0.71073","MoKα","","0.033","0.02","","","","0.02","","","","","","1.066","","","","has coordinates","246420","2020-10-21","18:00:00",""
"1556889","24.633","0.011","12.093","0.004","15.509","0.006","90","","108.48","0.012","90","","4382","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H42 Cu2 N2 O8 -","- C54 H42 Cu2 N2 O8 -","- C216 H168 Cu8 N8 O32 -","4","0.5","","Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J.","Extraordinary anisotropic thermal expansion in photosalient crystals","IUCrJ","2020","7","1","83","89","10.1107/S2052252519014581","","","0.71073","MoKα","","0.0379","0.0335","","","0.0815","0.084","","","","","","1.029","","","","has coordinates","246421","2020-10-21","18:00:00",""
"1556890","24.9699","0.0008","12.1074","0.0004","15.4675","0.0004","90","","108.809","0.001","90","","4426.4","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H40 Cu2 F2 N2 O8 -","- C54 H40 Cu2 F2 N2 O8 -","- C216 H160 Cu8 F8 N8 O32 -","4","0.5","","Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J.","Extraordinary anisotropic thermal expansion in photosalient crystals","IUCrJ","2020","7","1","83","89","10.1107/S2052252519014581","","","0.71073","MoKα","","0.0457","0.0309","","","0.0731","0.0789","","","","","","1.025","","","","has coordinates","246421","2020-10-21","18:00:00",""
"1556891","25.1802","0.0018","12.0004","0.0009","15.5976","0.001","90","","108.802","0.002","90","","4461.7","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H40 Cu2 F2 N2 O8 -","- C54 H40 Cu2 F2 N2 O8 -","- C216 H160 Cu8 F8 N8 O32 -","4","0.5","","Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J.","Extraordinary anisotropic thermal expansion in photosalient crystals","IUCrJ","2020","7","1","83","89","10.1107/S2052252519014581","","","0.71073","MoKα","","0.0313","0.0269","","","0.071","0.0733","","","","","","1.069","","","","has coordinates,has disorder","246421","2020-10-21","18:00:00",""
"1556892","10.3725","0.0005","11.0398","0.0005","12.0294","0.0005","71.354","0.001","66.229","0.001","65.356","0.001","1126.6","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H40 Cu2 F2 N2 O8 -","- C54 H40 Cu2 F2 N2 O8 -","- C54 H40 Cu2 F2 N2 O8 -","1","0.5","","Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J.","Extraordinary anisotropic thermal expansion in photosalient crystals","IUCrJ","2020","7","1","83","89","10.1107/S2052252519014581","","","0.71073","MoKα","","0.0333","0.0283","","","0.0675","0.0701","","","","","","1.069","","","","has coordinates","246421","2020-10-21","18:00:00",""
"1556893","5.392","0.003","6.806","0.003","11.261","0.005","90","","90","","90","","413.3","0.3","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Pyridine II","","- C5 H5 N -","- C5 H5 N -","- C20 H20 N4 -","4","1","","Giordano, Nico; Beavers, Christine M.; Campbell, Branton J.; Eigner, Václav; Gregoryanz, Eugene; Marshall, Willliam G.; Peña-Álvarez, Miriam; Teat, Simon J.; Vennari, Cara E.; Parsons, Simon","High-pressure polymorphism in pyridine","IUCrJ","2020","7","1","58","70","10.1107/S2052252519015616","","","0.49594","synchrotron","","0.04","0.029","","","0.0583","0.0602","","","","","","0.882","","","","has coordinates","246422","2020-10-21","18:00:00",""
"1556894","5.4053","0.0004","5.4053","0.0004","13.4853","0.0014","90","","90","","90","","394","0.06","293","","293","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Pyridine III","","- C5 H5 N -","- C5 H5 N -","- C20 H20 N4 -","4","0.5","","Giordano, Nico; Beavers, Christine M.; Campbell, Branton J.; Eigner, Václav; Gregoryanz, Eugene; Marshall, Willliam G.; Peña-Álvarez, Miriam; Teat, Simon J.; Vennari, Cara E.; Parsons, Simon","High-pressure polymorphism in pyridine","IUCrJ","2020","7","1","58","70","10.1107/S2052252519015616","","","0.49594","synchrotron","","0.0786","0.0755","","","0.1864","0.1956","","","","","","1.137","","","","has coordinates","246422","2020-10-21","18:00:00",""
"1556899","13.0353","0.0006","18.6391","0.0009","19.8731","0.001","108.331","0.003","108.152","0.003","101.306","0.003","4117.5","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C144 H300 Ni6 S12 -","- C144 H300 Ni6 S12 -","- C144 H300 Ni6 S12 -","1","0.5","","Zhuang, Zhihua; Chen, Wei","One-step rapid synthesis of Ni<sub>6</sub>(C<sub>12</sub>H<sub>25</sub>S)<sub>12</sub> nanoclusters for electrochemical sensing of ascorbic acid.","The Analyst","2020","145","7","2621","2630","10.1039/c9an01947b","","","1.54178","CuKα","","0.1673","0.0723","","","0.1848","0.2606","","","","","","0.832","","","","has coordinates","250145","2020-10-21","18:00:00",""
"1556900","26.7934","0.0005","12.4321","0.0003","39.1414","0.0007","90","","106.494","0.002","90","","12501.4","0.5","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C62 H79 Cl2 N5 O6 Pt S -","- C62 H79 Cl2 N5 O6 Pt S -","- C496 H632 Cl16 N40 O48 Pt8 S8 -","8","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","1.54178","CuKα","K-L~3~","0.0398","0.0371","","","0.0997","0.1021","","","","","","1.04","","","","has coordinates,has disorder","257361","2020-10-21","18:00:00",""
"1556901","10.1982","0.0005","18.2063","0.0007","19.7708","0.0008","105.665","0.004","99.693","0.004","96.105","0.004","3439.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H79 B2 F8 N7 O6 Pt -","- C67 H79 B2 F8 N7 O6 Pt -","- C134 H158 B4 F16 N14 O12 Pt2 -","2","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","0.71075","MoKα","K-L~3~","0.1196","0.0732","","","0.1605","0.1855","","","","","","1.013","","","","has coordinates","257361","2020-10-21","18:00:00",""
"1556902","11.78747","0.00013","15.5279","0.0002","22.4447","0.0003","101.252","0.0011","102.144","0.001","103.723","0.001","3769.49","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H76 F6 N6 O6 Pt Sb -","- C65 H76 F6 N6 O6 Pt Sb -","- C130 H152 F12 N12 O12 Pt2 Sb2 -","2","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","0.71073","MoKα","","0.0443","0.041","","","0.1157","0.1182","","","","","","1.053","","","","has coordinates,has disorder","257361","2020-10-21","18:00:00",""
"1556903","21.738","0.0004","14.9289","0.0003","21.8888","0.0005","90","","107.531","0.002","90","","6773.5","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H77 B F4 N8 O5 Pt -","- C65 H75 B F4 N6 O5 Pt -","- C260 H300 B4 F16 N24 O20 Pt4 -","4","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","0.71073","MoKα","","0.0412","0.0306","","","0.1057","0.1134","","","","","","0.866","","","","has coordinates,has disorder","257361","2020-10-21","18:00:00",""
"1556904","18.7462","0.0004","15.4022","0.0003","27.6759","0.0005","90","","104.791","0.002","90","","7726.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H85 Ag F12 N6 O6 Pt Sb2 -","- C69 H85 Ag F12 N6 O6 Pt Sb2 -","- C276 H340 Ag4 F48 N24 O24 Pt4 Sb8 -","4","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","1.54178","CuKα","","0.0984","0.0676","","","0.1755","0.1971","","","","","","1.039","","","","has coordinates,has disorder","257361","2020-10-21","18:00:00",""
"1556905","12.2375","0.0001","14.6363","0.0002","18.2789","0.0002","81.118","0.001","76.017","0.001","74.098","0.001","3041.7","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H72 B F4 N5 O5 Pt -","- C60 H72 B F4 N5 O5 Pt -","- C120 H144 B2 F8 N10 O10 Pt2 -","2","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","0.71075","MoKα","K-L~3~","0.0267","0.0239","","","0.0567","0.0577","","","","","","1.042","","","","has coordinates,has disorder","257361","2020-10-21","18:00:00",""
"1556906","13.0371","0.0005","18.3984","0.0008","18.4639","0.0008","88.81","0.003","89.789","0.003","83.438","0.003","4398.8","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C67 H77 Ag F15 N7 O5 Pt Sb2.5 -","- C67 H77 Ag F15 N7 O5 Pt Sb2.5 -","- C134 H154 Ag2 F30 N14 O10 Pt2 Sb5 -","2","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","0.71073","MoKα","","0.0804","0.0651","","","0.1632","0.1722","","","","","","1.04","","","","has coordinates,has disorder","257361","2020-10-21","18:00:00",""
"1556907","30.4605","0.0006","11.6596","0.0002","6.1159","0.0001","90","","90","","90","","2172.11","0.07","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23 H24 N2 O5 S -","- C23 H24 N2 O5 S -","- C92 H96 N8 O20 S4 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0386","0.0362","","","0.0887","0.0904","","","","","","1.073","","","","has coordinates,has disorder","250231","2020-10-21","18:00:00",""
"1556908","7.191","0.0001","13.5045","0.0001","18.6644","0.0002","90","","90","","90","","1812.52","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N3 O3 -","- C20 H23 N3 O3 -","- C80 H92 N12 O12 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0336","0.0325","","","0.1052","0.1083","","","","","","0.948","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556909","6.8118","0.0001","17.5495","0.0001","15.1113","0.0001","90","","91.427","0.001","90","","1805.9","0.03","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C80 H100 N12 O8 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0348","0.033","","","0.0833","0.0846","","","","","","1.038","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556910","10.18405","0.00005","9.71457","0.00005","18.82762","0.00009","90","","93.0169","0.0004","90","","1860.1","0.016","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21.25 N3 O2.125 -","- C22 H21.25 N3 O2.125 -","- C88 H85 N12 O8.5 -","4","2","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0259","0.0257","","","0.0679","0.0682","","","","","","1.044","","","","has coordinates","279649","2022-11-30","18:17:27",""
"1556911","32.8358","0.0003","11.60538","0.0001","5.85758","0.00007","90","","90","","90","","2232.16","0.04","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 F3 N2 O4 S -","- C24 H21 F3 N2 O4 S -","- C96 H84 F12 N8 O16 S4 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0618","0.0616","","","0.1477","0.1478","","","","","","1.093","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556912","12.4713","0.00005","9.02632","0.00004","17.84198","0.00007","90","","92.8702","0.0004","90","","2005.95","0.014","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N3 O2 -","- C22 H25 N3 O2 -","- C88 H100 N12 O8 -","4","2","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0283","0.028","","","0.0739","0.0743","","","","","","1.038","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556913","10.10659","0.00011","5.94958","0.00005","13.62038","0.0001","90","","99.5974","0.0008","90","","807.53","0.013","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C40 H38 N6 O2 -","2","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0282","0.0274","","","0.0699","0.0705","","","","","","1.046","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556914","8.33247","0.00002","15.71709","0.00006","17.93381","0.00005","90","","90","","90","","2348.65","0.012","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O2 -","- C28 H30 N2 O2 -","- C112 H120 N8 O8 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0279","0.0277","","","0.0703","0.0705","","","","","","1.085","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556915","6.0985","0.0004","11.5023","0.0005","30.8387","0.0015","90","","90","","90","","2163.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N2 O4 S -","- C24 H24 N2 O4 S -","- C96 H96 N8 O16 S4 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0871","0.0624","","","0.155","0.1773","","","","","","1.098","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556927","14.7908","0.0009","7.8079","0.0003","27.592","0.001","90","","99.197","0.003","90","","3145.5","0.3","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H19 I2 N3 Pd -","- C9 H19 I2 N3 Pd -","- C72 H152 I16 N24 Pd8 -","8","1","","Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P.","Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators","Catalysis Science & Technology","2020","10","5","1228","1247","10.1039/C9CY02041A","","","1.54186","CuKα","","0.0756","0.0668","","","0.1728","0.1816","","","","","","0.972","","","","has coordinates","257212","2020-10-21","18:00:00",""
"1556928","17.5721","0.0007","12.5994","0.0008","8.4655","0.0004","90","","99.55","0.003","90","","1848.27","0.16","295","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 I2 N3 Pd -","- C13 H21 I2 N3 Pd -","- C52 H84 I8 N12 Pd4 -","4","1","","Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P.","Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators","Catalysis Science & Technology","2020","10","5","1228","1247","10.1039/C9CY02041A","","","1.54186","CuKα","","0.0762","0.0626","","","0.1764","0.1857","","","","","","0.945","","","","has coordinates","257212","2020-10-21","18:00:00",""
"1556929","21.6545","0.0007","8.657","0.0002","20.1671","0.0008","90","","95.408","0.003","90","","3763.8","0.2","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 I2 N3 Pd -","- C15 H17 I2 N3 Pd -","- C120 H136 I16 N24 Pd8 -","8","1","","Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P.","Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators","Catalysis Science & Technology","2020","10","5","1228","1247","10.1039/C9CY02041A","","","0.71073","MoKα","","0.0813","0.044","","","0.1011","0.1489","","","","","","1.01","","","","has coordinates","257212","2020-10-21","18:00:00",""
"1556930","9.5333","0.0007","10.964","0.0008","11.3716","0.0007","62.48","0.005","79.571","0.005","67.896","0.005","976.59","0.13","295","2","295","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 I2 N3 Pd -","- C16 H19 I2 N3 Pd -","- C32 H38 I4 N6 Pd2 -","2","1","","Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P.","Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators","Catalysis Science & Technology","2020","10","5","1228","1247","10.1039/C9CY02041A","","","1.54186","CuKα","","0.0843","0.0642","","","0.1824","0.2174","","","","","","1.047","","","","has coordinates","257212","2020-10-21","18:00:00",""
"1556981","12.913","0.0008","12.913","0.0008","12.913","0.0008","90","","90","","90","","2153.2","0.2","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","Li6.5La3Zr1.5Nb0.5O12","","","- La3 Li6.5 Nb0.5 O12 Zr1.5 -","- La3 Li6.432 Nb0.5 O12 Zr1.5 -","- La24 Li51.456 Nb4 O96 Zr12 -","8","0.0833333","","Kataoka, K.","Oxide single crystals with high lithium-ion conductivity as solid electrolytes for all-solid-state lithium secondary battery applications","Journal of the Ceramic Society of Japan","2020","128","","7","18","10.2109/jcersj2.19094","","","","","","","","","","","","","","","","","","","","","has coordinates","246662","2020-10-21","18:00:00",""
"1556982","12.9445","0.0006","12.9445","0.0006","12.9445","0.0006","90","","90","","90","","2168.98","0.17","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","Li6.5La3Zr1.5Ta0.5O12","","","- La3 Li6.5 O12 Ta0.5 Zr1.5 -","- La3 Li6.312 O12 Ta0.5 Zr1.5 -","- La24 Li50.496 O96 Ta4 Zr12 -","8","0.0833333","","Kataoka, K.","Oxide single crystals with high lithium-ion conductivity as solid electrolytes for all-solid-state lithium secondary battery applications","Journal of the Ceramic Society of Japan","2020","128","","7","18","10.2109/jcersj2.19094","","","","","","","","","","","","","","","","","","","","","has coordinates","246664","2020-10-21","18:00:00",""
"1556983","7.4338","0.0001","19.1874","0.0001","28.7281","0.0001","90","","90","","90","","4097.64","0.06","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19.35 N5 O4.18 -","- C23 H19.35 N5 O4.175 -","- C184 H154.8 N40 O33.4 -","8","2","","Lin, Shuang; Yu, Huimin; Yang, Beiye; Li, Fengli; Chen, Xia; Li, Huaqiang; Zhang, Sitian; Wang, Jianping; Hu, Youcai; Hu, Zhengxi; Zhang, Yonghui","Reisolation and Configurational Reinvestigation of Cottoquinazolines E-G from an Arthropod-Derived Strain of the Fungus <i>Neosartorya fischeri</i>.","Journal of natural products","2020","83","1","169","173","10.1021/acs.jnatprod.9b01000","","x-ray","1.54184","CuKα","","0.0261","0.0254","","","0.065","0.0654","","","","","","1.032","","","","has coordinates","247536","2020-10-21","18:00:00",""
"1556984","13.718","0.001","13.718","0.001","21.48","0.0017","90","","90","","120","","3500.6","0.5","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C25 H25 N5 O5 -","- C25 H25 N5 O5 -","- C150 H150 N30 O30 -","6","1","","Lin, Shuang; Yu, Huimin; Yang, Beiye; Li, Fengli; Chen, Xia; Li, Huaqiang; Zhang, Sitian; Wang, Jianping; Hu, Youcai; Hu, Zhengxi; Zhang, Yonghui","Reisolation and Configurational Reinvestigation of Cottoquinazolines E-G from an Arthropod-Derived Strain of the Fungus <i>Neosartorya fischeri</i>.","Journal of natural products","2020","83","1","169","173","10.1021/acs.jnatprod.9b01000","","","1.54178","CuKα","","0.0382","0.0361","","","0.1184","0.1219","","","","","","1.063","","","","has coordinates","247536","2020-10-21","18:00:00",""
"1556985","4.6777","","8.716","","17.1651","","90","","91.394","","90","","699.628","","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 N4 O8 P2 S2 -","- C6 H12 N4 O8 P2 S2 -","- C12 H24 N8 O16 P4 S4 -","2","0.5","","Yuan, Guohao; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Highly Proton-Conducting Mixed Proton-Transferred [(H2PO4‒)(H3PO4)]∞Networks Supported by 2,2′-Diaminobithiazolium in Crystals","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b10130","","","1.54187","CuKα","","0.0418","0.0402","","","0.1074","0.1097","","","","","","1.073","","","","has coordinates","246712","2020-10-21","18:00:00",""
"1556986","11.0254","","7.0847","","13.0691","","90","","96.516","","90","","1014.26","","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 N4 O16 P4 S2 -","- C6 H20 N4 O16 P4 S2 -","- C12 H40 N8 O32 P8 S4 -","2","0.5","","Yuan, Guohao; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Highly Proton-Conducting Mixed Proton-Transferred [(H2PO4‒)(H3PO4)]∞Networks Supported by 2,2′-Diaminobithiazolium in Crystals","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b10130","","","1.54187","CuKα","","0.0776","0.0519","","","0.123","0.1458","","","","","","1.139","","","","has coordinates","246713","2020-10-21","18:00:00",""
"1556987","5.40917","0.00018","7.805","0.0003","8.856","0.0004","63.995","0.003","84.123","0.003","83.101","0.003","333.08","0.02","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C3 H6 N2 O4 P S -","- C3 H6 N2 O4 P S -","- C6 H12 N4 O8 P2 S2 -","2","1","","Yuan, Guohao; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Highly Proton-Conducting Mixed Proton-Transferred [(H2PO4‒)(H3PO4)]∞Networks Supported by 2,2′-Diaminobithiazolium in Crystals","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b10130","","","1.54187","CuKα","","0.0602","0.0536","","","0.1478","0.1514","","","","","","1.086","","","","has coordinates","246714","2020-10-21","18:00:00",""
"1556988","5.26221","0.00011","8.96277","0.00016","10.8217","0.0002","97.609","0.0013","95.9417","0.0015","98.5964","0.0012","496.242","0.017","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C3 H9 N2 O8 P2 S -","- C3 H9 N2 O8 P2 S -","- C6 H18 N4 O16 P4 S2 -","2","1","","Yuan, Guohao; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Highly Proton-Conducting Mixed Proton-Transferred [(H2PO4‒)(H3PO4)]∞Networks Supported by 2,2′-Diaminobithiazolium in Crystals","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b10130","","","1.54187","CuKα","","0.0511","0.0486","","","0.1365","0.1384","","","","","","1.083","","","","has coordinates","246715","2020-10-21","18:00:00",""
"1556989","13.8433","0.0004","10.0451","0.0002","8.1208","0.0003","90","","95.19","0.002","90","","1124.63","0.06","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N4 O4 P S2 -","- C6 H9 N4 O4 P S2 -","- C24 H36 N16 O16 P4 S8 -","4","1","","Yuan, Guohao; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Highly Proton-Conducting Mixed Proton-Transferred [(H2PO4‒)(H3PO4)]∞Networks Supported by 2,2′-Diaminobithiazolium in Crystals","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b10130","","","1.54187","CuKα","","0.0444","0.0397","","","0.1058","0.113","","","","","","1.09","","","","has coordinates","246716","2020-10-21","18:00:00",""
"1556992","9.7263","0.0008","11.8883","0.001","24.935","0.002","90","","90","","90","","2883.2","0.4","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C144 H128 O32 -","8","1","","Liang, Kangjiang; Li, Tao; Li, Na; Zhang, Yang; Shen, Lei; Ma, Zhixian; Xia, Chengfeng","Redox-neutral photochemical Heck-type arylation of vinylphenols activated by visible light","Chemical Science","2020","11","8","2130","2135","10.1039/C9SC06184C","","","0.71073","MoKα","","0.0511","0.0417","","","0.108","0.1148","","","","","","1.044","","","","has coordinates","257301","2020-10-21","18:00:00",""
"1556993","10.6565","0.0007","11.1408","0.0009","12.3","0.001","69.374","0.003","76.912","0.003","65.303","0.003","1236.26","0.17","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C52 H48 N4 O4 S2 -","2","1","","Lee, Jiyoun; Ko, Donguk; Park, Hyunju; Yoo, Eun Jeong","Direct cyclopropanation of activated N-heteroarenes <i>via</i> site- and stereoselective dearomative reactions.","Chemical science","2020","11","6","1672","1676","10.1039/c9sc06369b","","","0.71073","MoKα","","0.0782","0.0504","","","0.1262","0.1367","","","","","","1.077","","","","has coordinates","250232","2020-10-21","18:00:00",""
"1556994","9.072","0.0018","9.846","0.002","23.918","0.005","90","","90","","90","","2136.4","0.8","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 -","- C28 H26 N2 -","- C112 H104 N8 -","4","1","","Lee, Jiyoun; Ko, Donguk; Park, Hyunju; Yoo, Eun Jeong","Direct cyclopropanation of activated N-heteroarenes <i>via</i> site- and stereoselective dearomative reactions.","Chemical science","2020","11","6","1672","1676","10.1039/c9sc06369b","","","0.73","synchrotron","","0.0643","0.0588","","","0.1755","0.1815","","","","","","1.154","","","","has coordinates","250232","2020-10-21","18:00:00",""
"1556995","37.1066","0.0017","31.0733","0.0015","11.8903","0.0006","90","","99.208","0.002","90","","13533.1","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","LMOF-231-F0.2; Zn2(tcbpe)0.8(tcbpe-F)0.2","LMOF-305","","- C54 H31.2 F0.8 O8 Zn2 -","- C54 H31.2 F0.8 O8 Zn2 -","- C432 H249.6 F6.4 O64 Zn16 -","8","1","","Lustig, William P.; Shen, Zeqing; Teat, Simon J.; Javed, Nasir; Velasco, Ever; O'Carroll, Deirdre M.; Li, Jing","Rational design of a high-efficiency, multivariate metal‒organic framework phosphor for white LED bulbs","Chemical Science","2020","11","7","1814","1824","10.1039/C9SC05721H","","","0.7749","synchrotron","","0.1128","0.0807","","","0.2374","0.2512","","","","","","1.24","","","","has coordinates,has disorder","257363","2020-10-21","18:00:00",""
"1557016","9.223","0.004","6.718","0.003","15.694","0.007","90","","90.983","0.007","90","","972.3","0.7","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-diethynyl-2,5-bis(hexyloxy)benzene","","- C22 H30 O2 -","- C22 H30 O2 -","- C44 H60 O4 -","2","0.5","","Shu, Zhibin; Zhang, Qing; Zhang, Pan; Qin, Zhengsheng; Liu, Dan; Gao, Xiong; Guan, Bo; Qi, Haoyuan; Xiao, Mengqi; Wei, Zhongming; Dong, Huanli; Hu, Wenping","Preparing two-dimensional crystalline conjugated polymer films by synergetic polymerization and self-assembly at air/water interface","Polymer Chemistry","2020","11","9","1572","1579","10.1039/C9PY01836K","","","0.71075","MoKα","","0.0927","0.0788","","","0.1393","0.1453","","","","","","1.251","","","","has coordinates","257947","2020-10-21","18:00:00",""
"1557022","10.066","0.0013","8.4068","0.0011","10.9787","0.0014","90","","104.155","0.004","90","","900.8","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H18 Br5 N3 Pb S2 -","- C4 H14 Br5 N3 Pb S2 -","- C8 H28 Br10 N6 Pb2 S4 -","2","1","","Bakthavatsalam, Rangarajan; Haris, Muhammed P. U.; Shaikh, Samir R.; Lohar, Amruta; Mohanty, Ashutosh; Moghe, Dhanashree; Sharma, Shivani; Biswas, Chinmoy; Raavi, Sai Santhosh Kumar; Gonnade, Rajesh G.; Kundu, Janardan","Ligand Structure Directed Dimensionality Reduction (2D →1D) in Lead Bromide Perovskite","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11033","","","0.71073","MoKα","","0.0717","0.0696","","","0.2101","0.2163","","","","","","1.098","","","","has coordinates","246789","2020-10-21","18:00:00",""
"1557023","13.3113","0.0005","8.5838","0.0004","12.0368","0.0005","90","","90.406","0.002","90","","1375.31","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H11 Br4 N3 Pb S -","- C3 H11 Br4 N3 Pb S -","- C12 H44 Br16 N12 Pb4 S4 -","4","1","","Bakthavatsalam, Rangarajan; Haris, Muhammed P. U.; Shaikh, Samir R.; Lohar, Amruta; Mohanty, Ashutosh; Moghe, Dhanashree; Sharma, Shivani; Biswas, Chinmoy; Raavi, Sai Santhosh Kumar; Gonnade, Rajesh G.; Kundu, Janardan","Ligand Structure Directed Dimensionality Reduction (2D →1D) in Lead Bromide Perovskite","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11033","","","0.71073","MoKα","","0.0435","0.0331","","","0.0848","0.0887","","","","","","1.014","","","","has coordinates","246790","2020-10-21","18:00:00",""
"1557024","41.708","0.01","5.7563","0.001","12.67","0.003","90","","98.46","0.02","90","","3008.8","1.2","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 S4 -","- C38 H34 S4 -","- C152 H136 S16 -","4","0.5","","Suzuki, Mitsuharu; Terai, Kengo; Quinton, Cassandre; Hayashi, Hironobu; Aratani, Naoki; Yamada, Hiroko","Open-circuit-voltage shift of over 0.5 V in organic photovoltaic cells induced by a minor structural difference in alkyl substituents","Chemical Science","2020","11","7","1825","1831","10.1039/C9SC04956H","","","0.71073","MoKα","","0.1902","0.1043","","","0.1784","0.2208","","","","","","1.089","","","","has coordinates,has disorder","257360","2020-10-21","18:00:00",""
"1557025","23.82","0.03","5.837","0.006","12.5","0.014","90","","104.133","0.018","90","","1685","3","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 S4 -","- C42 H42 S4 -","- C84 H84 S8 -","2","0.5","","Suzuki, Mitsuharu; Terai, Kengo; Quinton, Cassandre; Hayashi, Hironobu; Aratani, Naoki; Yamada, Hiroko","Open-circuit-voltage shift of over 0.5 V in organic photovoltaic cells induced by a minor structural difference in alkyl substituents","Chemical Science","2020","11","7","1825","1831","10.1039/C9SC04956H","","","0.71073","MoKα","","0.1864","0.1165","","","0.2407","0.2799","","","","","","1.089","","","","has coordinates","257360","2020-10-21","18:00:00",""
"1557026","22.15","0.003","5.7413","0.0007","13.1188","0.0016","90","","95.85","0.007","90","","1659.6","0.4","103","","103","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 S4 -","- C42 H42 S4 -","- C84 H84 S8 -","2","0.5","","Suzuki, Mitsuharu; Terai, Kengo; Quinton, Cassandre; Hayashi, Hironobu; Aratani, Naoki; Yamada, Hiroko","Open-circuit-voltage shift of over 0.5 V in organic photovoltaic cells induced by a minor structural difference in alkyl substituents","Chemical Science","2020","11","7","1825","1831","10.1039/C9SC04956H","","","0.71075","MoKα","","0.1411","0.0965","","","0.2486","0.2772","","","","","","1.118","","","","has coordinates","257360","2020-10-21","18:00:00",""
"1557027","28.173","0.003","16.4313","0.0017","20.453","0.002","90","","90.107","0.004","90","","9468.1","1.7","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C66 H30 Al3 Ba F89 O9 -","- C66 H30 Al3 Ba F89 O9 -","- C264 H120 Al12 Ba4 F356 O36 -","4","2","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","","0.71073","MoKα","","0.0355","0.0323","","","0.0751","0.0768","","","","","","0.942","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557028","17.765","0.006","20.654","0.007","20.031","0.008","90","","93.018","0.014","90","","7340","5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H26 Al2 Ca F68 O7 -","- C52 H26 Al2 Ca F68 O7 -","- C208 H104 Al8 Ca4 F272 O28 -","4","2","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.1221","0.0863","","","0.2002","0.219","","","","","","1.058","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557029","10.6319","0.0004","22.3961","0.0008","24.4869","0.0009","79.144","0.001","79.696","0.001","77.759","0.001","5537.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H18 Al2 F55 In O6 -","- C36 H18 Al2 F55 In O6 -","- C144 H72 Al8 F220 In4 O24 -","4","2","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.078","0.0496","","","0.1162","0.1295","","","","","","1.049","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557030","14.3953","0.0004","18.2606","0.0005","25.8315","0.0007","73.784","0.001","74.37","0.002","66.821","0.001","5895.1","0.3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C50 H22 Al2 F74 Mg N6 O8 -","- C50 H22 Al2 F74 Mg N6 O8 -","- C150 H66 Al6 F222 Mg3 N18 O24 -","3","3","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.0722","0.0511","","","0.1185","0.1294","","","","","","1.04","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557031","13.8661","0.0005","20.2883","0.0008","23.0336","0.0009","80.031","0.001","85.985","0.001","79.942","0.001","6278.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H34 Al4 F118 O12 Sr -","- C84 H34 Al4 F118 O12 Sr -","- C168 H68 Al8 F236 O24 Sr2 -","2","1","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.0588","0.0376","","","0.0819","0.0907","","","","","","1.008","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557032","13.9542","0.0007","20.3286","0.0011","22.9128","0.0012","80.085","0.002","84.743","0.002","80.239","0.002","6296.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H34 Al4 Ca F118 O12 -","- C84 H34 Al4 Ca F118 O12 -","- C168 H68 Al8 Ca2 F236 O24 -","2","1","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.0686","0.0519","","","0.1288","0.1407","","","","","","1.031","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557033","23.429","0.0015","18.9075","0.0012","22.4874","0.0014","90","","118.27","0.002","90","","8773.4","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H26 Al3 Ca F87 O9 -","- C60 H26 Al3 Ca F87 O9 -","- C240 H104 Al12 Ca4 F348 O36 -","4","1","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.0769","0.0556","","","0.1526","0.1664","","","","","","1.029","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557034","13.5412","0.0009","25.3825","0.0017","27.3385","0.0017","90.017","0.002","90.111","0.002","92.474","0.002","9387.7","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H30 Al3 F89 O9 Sr -","- C66 H30 Al3 F89 O9 Sr -","- C264 H120 Al12 F356 O36 Sr4 -","4","2","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.0746","0.0543","","","0.1357","0.1484","","","","","","1.026","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557040","10.0349","0.0004","8.3874","0.0004","17.4347","0.0008","90","","91.005","0.004","90","","1467.2","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 Br2 N2 O -","- C17 H10 Br2 N2 O -","- C68 H40 Br8 N8 O4 -","4","1","","Sala, Samuele; Nealon, Gareth L.; Sobolev, Alexandre N.; Fromont, Jane; Gomez, Oliver; Flematti, Gavin R.","Structure Reassignment of Echinosulfone A and the Echinosulfonic Acids A-D Supported by Single-Crystal X-ray Diffraction and Density Functional Theory Analysis.","Journal of natural products","2020","83","1","105","110","10.1021/acs.jnatprod.9b00902","","","1.54178","CuKα","","0.0573","0.0437","","","0.1056","0.1177","","","","","","1","","","","has coordinates","247537","2020-10-21","18:00:00",""
"1557041","11.1088","0.0001","21.1979","0.0002","15.9518","0.0002","90","","108.641","0.001","90","","3559.32","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H49 Br N2 O -","- C40 H49 Br N2 O -","- C160 H196 Br4 N8 O4 -","4","1","","Rottschäfer, Dennis; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","A crystalline C5-protonated 1,3-imidazol-4-ylidene.","Chemical communications (Cambridge, England)","2020","56","13","2027","2030","10.1039/c9cc09428h","","x-ray","0.71073","MoKα","","0.0354","0.0302","","","0.0775","0.08","","","","","","1.046","","","","has coordinates","248829","2020-10-21","18:00:00",""
"1557042","10.35522","0.00015","11.18263","0.00016","16.4194","0.0002","100.307","0.0012","95.6535","0.0012","99.0466","0.0012","1831.63","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H44 N2 Ni O3 -","- C42 H44 N2 Ni O3 -","- C84 H88 N4 Ni2 O6 -","2","1","","Rottschäfer, Dennis; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","A crystalline C5-protonated 1,3-imidazol-4-ylidene.","Chemical communications (Cambridge, England)","2020","56","13","2027","2030","10.1039/c9cc09428h","","x-ray","1.54184","CuKα","","0.0335","0.0319","","","0.085","0.0863","","","","","","1.036","","","","has coordinates","248829","2020-10-21","18:00:00",""
"1557043","12.2795","0.0003","16.812","0.0003","19.2885","0.0004","90","","93.6946","0.0019","90","","3973.7","0.15","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H52 Au Cl N2 -","- C46 H52 Au Cl N2 -","- C184 H208 Au4 Cl4 N8 -","4","1","","Rottschäfer, Dennis; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","A crystalline C5-protonated 1,3-imidazol-4-ylidene.","Chemical communications (Cambridge, England)","2020","56","13","2027","2030","10.1039/c9cc09428h","","x-ray","1.54184","CuKα","","0.0389","0.0351","","","0.0971","0.0993","","","","","","1.166","","","","has coordinates","248829","2020-10-21","18:00:00",""
"1557044","38.4682","0.0004","38.4682","0.0004","9.5772","0.0002","90","","90","","90","","14172.4","0.4","100","0.1","100","0.1","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C39 H44 N2 -","- C39 H44 N2 -","- C624 H704 N32 -","16","1","","Rottschäfer, Dennis; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","A crystalline C5-protonated 1,3-imidazol-4-ylidene.","Chemical communications (Cambridge, England)","2020","56","13","2027","2030","10.1039/c9cc09428h","","x-ray","1.54184","CuKα","","0.0519","0.0441","","","0.102","0.1068","","","","","","1.041","","","","has coordinates","248829","2020-10-21","18:00:00",""
"1557045","5.3182","0.0004","10.94","0.0007","23.9705","0.0016","90","","90","","90","","1394.63","0.17","123","","123","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N O2 -","- C17 H14 Cl N O2 -","- C68 H56 Cl4 N4 O8 -","4","1","","Burg, Finn; Breitenlechner, Stefan; Jandl, Christian; Bach, Thorsten","Enantioselective oxygenation of exocyclic methylene groups by a manganese porphyrin catalyst with a chiral recognition site","Chemical Science","2020","11","8","2121","2129","10.1039/C9SC06089H","","x-ray","0.71073","MoKα","","0.027","0.0268","","","0.0737","0.0741","","","","","","1.078","","","","has coordinates","257303","2020-10-21","18:00:00",""
"1557052","5.899","0.002","7.547","0.003","20.535","0.008","83.465","0.009","84.681","0.01","82.512","0.008","897.7","0.6","120","2","120","2","","","","","","","","3","P -1","-P 1","2","12CM007","","","- C22 H28 N -","- C22 H28 N -","- C44 H56 N2 -","2","1","","Mongin, Cédric; Ardoy, Alejandro Mendez; Méreau, Raphaël; Bassani, Dario M.; Bibal, Brigitte","Singlet oxygen stimulus for switchable functional organic cages","Chemical Science","2020","11","6","1478","1484","10.1039/C9SC05354A","","","0.71073","MoKα","","0.0942","0.0478","","","0.1117","0.1293","","","","","","1.015","","","","has coordinates","257324","2020-10-21","18:00:00",""
"1557053","13.0175","0.0005","9.329","0.0003","8.3512","0.0003","90","","106.37","0.002","90","","973.06","0.06","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","12CM104","","","- C28 H18 O2 -","- C28 H18 O2 -","- C56 H36 O4 -","2","0.5","","Mongin, Cédric; Ardoy, Alejandro Mendez; Méreau, Raphaël; Bassani, Dario M.; Bibal, Brigitte","Singlet oxygen stimulus for switchable functional organic cages","Chemical Science","2020","11","6","1478","1484","10.1039/C9SC05354A","","","1.54178","CuKα","","0.0382","0.0351","","","0.0922","0.0952","","","","","","1.026","","","","has coordinates","257324","2020-10-21","18:00:00",""
"1557054","16.5305","0.0008","18.7386","0.001","10.5281","0.0006","90","","90","","90","","3261.2","0.3","200","1","200","1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C20 H14 I N -","- C20 H14 I N -","- C160 H112 I8 N8 -","8","1","","Martinez, Thibaut; Alahyen, Ismail; Lemière, Gilles; Mouriès-Mansuy, Virginie; Fensterbank, Louis","Straightforward Access to 2-Iodoindolizines via Iodine-Mediated Cyclization of 2-Pyridylallenes","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.9b00418","","","1.54178","CuKα","","0.0273","0.0262","","","0.0702","0.0715","","","","","","1.042","","","","has coordinates,has disorder","246926","2020-10-21","18:00:00",""
"1557055","27.001","0.0012","6.0841","0.0003","25.1455","0.0011","90","","108.298","0.002","90","","3922","0.3","299","2","299","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 B Cl2 O2 -","- C20 H21 B Cl2 O2 -","- C160 H168 B8 Cl16 O16 -","8","1","","Rami, Fabian; Bächtle, Franziska; Plietker, Bernd","Hydroboration of internal alkynes catalyzed by FeH(CO)(NO)(PPh3)2: a case of boron-source controlled regioselectivity","Catalysis Science & Technology","2020","10","5","1492","1497","10.1039/C9CY02461A","","","0.71073","MoKα","","0.0628","0.042","","","0.1146","0.1241","","","","","","1.034","","","","has coordinates","265223","2021-05-14","14:10:01",""
"1557056","35.07","0.003","6.2286","0.0007","20.596","0.002","90","","119.212","0.005","90","","3926.8","0.7","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H27 B O2 -","- C22 H27 B O2 -","- C176 H216 B8 O16 -","8","1","","Rami, Fabian; Bächtle, Franziska; Plietker, Bernd","Hydroboration of internal alkynes catalyzed by FeH(CO)(NO)(PPh3)2: a case of boron-source controlled regioselectivity","Catalysis Science & Technology","2020","10","5","1492","1497","10.1039/C9CY02461A","","","0.71073","MoKα","","0.0989","0.0489","","","0.0999","0.1109","","","","","","1.012","","","","has coordinates","265223","2021-05-14","14:10:12",""
"1557057","25.447","0.003","6.3811","0.0008","24.281","0.003","90","","90","","90","","3942.7","0.8","130","2","130","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H27 B O2 -","- C22 H27 B O2 -","- C176 H216 B8 O16 -","8","2","","Rami, Fabian; Bächtle, Franziska; Plietker, Bernd","Hydroboration of internal alkynes catalyzed by FeH(CO)(NO)(PPh3)2: a case of boron-source controlled regioselectivity","Catalysis Science & Technology","2020","10","5","1492","1497","10.1039/C9CY02461A","","","0.71073","MoKα","","0.0574","0.045","","","0.1097","0.1156","","","","","","1.042","","","","has coordinates","265223","2021-05-14","14:10:14",""
"1557058","13.824","0.003","13.824","0.003","40.089","0.008","90","","90","","120","","6635","2","100","2","100","2","","","","","","","","8","P 31 2 1","P 31 2""","152","","","","- C36.5 H57 B Cl F4 N4 P4 Rh -","- C36.5 H57 B Cl F4 N4 P4 Rh -","- C219 H342 B6 Cl6 F24 N24 P24 Rh6 -","6","1","","Cunillera, Anton; de los Bernardos, Miriam Díaz; Urrutigoïty, Martine; Claver, Carmen; Ruiz, Aurora; Godard, Cyril","Efficient synthesis of chiral γ-aminobutyric esters via direct rhodium-catalysed enantioselective hydroaminomethylation of acrylates","Catalysis Science & Technology","2020","10","3","630","634","10.1039/C9CY01797F","","","0.71073","MoKα","","0.0709","0.0567","","","0.14","0.1458","","","","","","1.156","","","","has coordinates,has disorder","257223","2020-10-21","18:00:00",""
"1557059","9.7105","0.0003","14.3281","0.0004","11.2851","0.0003","90","","96.031","0.003","90","","1561.44","0.08","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H42 B Cl2 F4 N2 P2 Rh -","- C27 H42 B Cl2 F4 N2 P2 Rh -","- C54 H84 B2 Cl4 F8 N4 P4 Rh2 -","2","1","","Cunillera, Anton; de los Bernardos, Miriam Díaz; Urrutigoïty, Martine; Claver, Carmen; Ruiz, Aurora; Godard, Cyril","Efficient synthesis of chiral γ-aminobutyric esters via direct rhodium-catalysed enantioselective hydroaminomethylation of acrylates","Catalysis Science & Technology","2020","10","3","630","634","10.1039/C9CY01797F","","","0.7107","MoKα","","0.0533","0.0514","","","0.1669","0.1682","","","","","","1.443","","","","has coordinates","257223","2020-10-21","18:00:00",""
"1557060","8.52831","0.00011","10.39109","0.00014","11.21545","0.00016","117.584","0.0014","92.3119","0.0011","95.1854","0.0011","873.5","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N S Si -","- C18 H19 N S Si -","- C36 H38 N2 S2 Si2 -","2","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0379","0.0335","","","0.095","0.0982","","","","","","1.068","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557061","20.6204","0.0008","9.4103","0.0003","16.7239","0.0006","90","","120.205","0.005","90","","2804.6","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H13 N O S -","- C17 H13 N O S -","- C136 H104 N8 O8 S8 -","8","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0358","0.0309","","","0.0897","0.0925","","","","","","1.064","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557062","13.1964","0.0002","13.3812","0.0002","16.7048","0.0003","90","","90","","90","","2949.79","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N O S -","- C18 H15 N O S -","- C144 H120 N8 O8 S8 -","8","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0365","0.0312","","","0.0875","0.0903","","","","","","1.059","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557063","10.9143","0.0002","7.26579","0.00018","12.4737","0.0002","90","","104.425","0.002","90","","957.99","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N O S -","- C11 H9 N O S -","- C44 H36 N4 O4 S4 -","4","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","1.54184","CuKα","","0.0352","0.0307","","","0.0809","0.0847","","","","","","1.057","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557064","10.6588","0.0004","8.0663","0.0003","20.1272","0.0008","90","","95.886","0.003","90","","1721.35","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N S Se Si -","- C16 H21 N S Se Si -","- C64 H84 N4 S4 Se4 Si4 -","4","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0404","0.032","","","0.0689","0.0718","","","","","","1.078","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557065","13.9373","0.0006","7.7203","0.0003","17.0136","0.0007","90","","105.984","0.005","90","","1759.89","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N S -","- C22 H23 N S -","- C88 H92 N4 S4 -","4","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0531","0.0419","","","0.0951","0.1003","","","","","","1.051","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557066","7.5133","0.0002","25.6215","0.0007","8.2645","0.0003","90","","100.591","0.003","90","","1563.83","0.08","102","2","102","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 S -","- C21 H20 S -","- C84 H80 S4 -","4","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0429","0.0371","","","0.0887","0.0917","","","","","","1.077","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557067","6.9027","0.0006","7.3743","0.0006","9.3503","0.0007","68.861","0.008","73.292","0.008","84.246","0.006","425.18","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H7 N S -","- C10 H7 N S -","- C20 H14 N2 S2 -","2","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0377","0.0325","","","0.0779","0.0813","","","","","","1.052","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557068","12.2557","0.0002","9.5626","0.0002","21.5616","0.0004","90","","90","","90","","2526.94","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H11 N O S -","- C16 H11 N O S -","- C128 H88 N8 O8 S8 -","8","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","1.54184","CuKα","","0.0333","0.0303","","","0.0792","0.0822","","","","","","1.064","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557069","11.1885","0.0007","11.263","0.0004","12.1884","0.0007","90","","116.756","0.008","90","","1371.48","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N S -","- C17 H17 N S -","- C68 H68 N4 S4 -","4","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0511","0.0386","","","0.0847","0.0915","","","","","","1.038","","","","has coordinates,has disorder","257365","2020-10-21","18:00:00",""
"1557075","17.5623","0.0006","13.934","0.0004","20.8795","0.0007","90","","92.113","0.002","90","","5106","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H67 N3 O6 P2 Ru -","- C55 H67 N3 O6 P2 Ru -","- C220 H268 N12 O24 P8 Ru4 -","4","1","","Artús Suàrez, Lluís; Jayarathne, Upul; Balcells, David; Bernskoetter, Wesley H.; Hazari, Nilay; Jaraiz, Martín; Nova, Ainara","Rational selection of co-catalysts for the deaminative hydrogenation of amides.","Chemical science","2020","11","8","2225","2230","10.1039/c9sc03812d","","","0.71073","MoKα","","0.0874","0.0631","","","0.1484","0.1638","","","","","","1.169","","","","has coordinates","250222","2020-10-21","18:00:00",""
"1557079","12.77764","0.00017","5.95718","0.00005","12.86001","0.00011","90","","100.546","0.001","90","","962.352","0.018","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C50 H46 N2 O6 -","2","1","","Di Sanza, Riccardo; Nguyen, Thi Le Nhon; Iqbal, Naeem; Argent, Stephen P.; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative and alkenylative intramolecular 1,2-allylations of tethered allene‒ketones","Chemical Science","2020","11","9","2401","2406","10.1039/C9SC05246A","","x-ray","1.54184","CuKα","","0.029","0.0286","","","0.0737","0.0741","","","","","","1.044","","","","has coordinates","257370","2020-10-21","18:00:00",""
"1557080","10.3193","0.0001","10.5258","0.0001","18.2046","0.0002","90","","90","","90","","1977.36","0.03","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C92 H116 N4 O8 -","4","1","","Di Sanza, Riccardo; Nguyen, Thi Le Nhon; Iqbal, Naeem; Argent, Stephen P.; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative and alkenylative intramolecular 1,2-allylations of tethered allene‒ketones","Chemical Science","2020","11","9","2401","2406","10.1039/C9SC05246A","","x-ray","1.54184","CuKα","","0.0292","0.0282","","","0.0695","0.0702","","","","","","1.041","","","","has coordinates","257370","2020-10-21","18:00:00",""
"1557081","5.909","0.0001","12.8175","0.0002","27.4929","0.0004","90","","90","","90","","2082.27","0.06","120","2","120","2","","","","","","","petroleum ether, EtOAc","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N O3 S -","- C25 H25 N O3 S -","- C100 H100 N4 O12 S4 -","4","1","","Di Sanza, Riccardo; Nguyen, Thi Le Nhon; Iqbal, Naeem; Argent, Stephen P.; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative and alkenylative intramolecular 1,2-allylations of tethered allene‒ketones","Chemical Science","2020","11","9","2401","2406","10.1039/C9SC05246A","","x-ray","1.54184","CuKα","","0.0243","0.0234","","","0.0577","0.0583","","","","","","1.06","","","","has coordinates","257370","2020-10-21","18:00:00",""
"1557082","21.613","0.0013","12.1859","0.0007","13.5922","0.0007","90","","104.043","0.006","90","","3472.8","0.4","150","0.3","150","0.3","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 O3 -","- C24 H18 O3 -","- C192 H144 O24 -","8","1","","He, Zhen; Perry, Gregory J. P.; Procter, David J.","Sulfoxide-mediated oxidative cross-coupling of phenols","Chemical Science","2020","11","7","2001","2005","10.1039/C9SC05668H","","x-ray","0.71073","MoKα","","0.0688","0.053","","","0.1258","0.1351","","","","","","1.071","","","","has coordinates","257358","2020-10-21","18:00:00",""
"1557083","14.145","0.002","7.441","0.001","24.56","0.004","90","","96.17","0.013","90","","2570","0.7","149.9","0.3","149.9","0.3","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 O6 -","- C26 H24 O6 -","- C104 H96 O24 -","4","1","","He, Zhen; Perry, Gregory J. P.; Procter, David J.","Sulfoxide-mediated oxidative cross-coupling of phenols","Chemical Science","2020","11","7","2001","2005","10.1039/C9SC05668H","","x-ray","0.71073","MoKα","","0.1401","0.0709","","","0.1404","0.176","","","","","","0.975","","","","has coordinates","257358","2020-10-21","18:00:00",""
"1557084","16.2589","0.001","6.7715","0.0003","16.4568","0.0009","90","","106.511","0.006","90","","1737.14","0.17","149.9","0.3","149.9","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Cl O3 -","- C22 H15 Cl O3 -","- C88 H60 Cl4 O12 -","4","1","","He, Zhen; Perry, Gregory J. P.; Procter, David J.","Sulfoxide-mediated oxidative cross-coupling of phenols","Chemical Science","2020","11","7","2001","2005","10.1039/C9SC05668H","","x-ray","0.71073","MoKα","","0.0762","0.0521","","","0.1056","0.1222","","","","","","1.053","","","","has coordinates","257358","2020-10-21","18:00:00",""
"1557085","12.5579","0.001","5.2167","0.0004","35.021","0.003","90","","94.917","0.007","90","","2285.8","0.3","150","0.3","150","0.3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 O7 -","- C25 H24 O7 -","- C100 H96 O28 -","4","1","","He, Zhen; Perry, Gregory J. P.; Procter, David J.","Sulfoxide-mediated oxidative cross-coupling of phenols","Chemical Science","2020","11","7","2001","2005","10.1039/C9SC05668H","","x-ray","0.71073","MoKα","","0.1549","0.0968","","","0.2006","0.2306","","","","","","1.083","","","","has coordinates","257358","2020-10-21","18:00:00",""
"1557086","29.9022","0.0018","11.0935","0.0006","13.4816","0.0007","90","","99.73","0.005","90","","4407.8","0.4","149.9","0.3","149.9","0.3","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 O8 -","- C25 H28 O8 -","- C200 H224 O64 -","8","1","","He, Zhen; Perry, Gregory J. P.; Procter, David J.","Sulfoxide-mediated oxidative cross-coupling of phenols","Chemical Science","2020","11","7","2001","2005","10.1039/C9SC05668H","","x-ray","0.71073","MoKα","","0.0787","0.0545","","","0.1208","0.1334","","","","","","1.042","","","","has coordinates,has disorder","257358","2020-10-21","18:00:00",""
"1557087","9.3923","0.0003","29.4208","0.0008","11.9664","0.0003","90","","102.511","0.003","90","","3228.14","0.16","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 F6 N3 O P -","- C39 H34 F6 N3 O P -","- C156 H136 F24 N12 O4 P4 -","4","1","","Zheng, Zheng; Liu, Haixiang; Zhai, Shaodong; Zhang, Haoke; Shan, Guogang; Kwok, Ryan T. K.; Ma, Chao; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Wong, Kam Sing; Hu, Xianglong; Tang, Ben Zhong","Highly efficient singlet oxygen generation, two-photon photodynamic therapy and melanoma ablation by rationally designed mitochondria-specific near-infrared AIEgens","Chemical Science","2020","11","9","2494","2503","10.1039/C9SC06441A","","x-ray","1.54184","CuKα","","0.075","0.065","","","0.1706","0.1803","","","","","","1.026","","","","has coordinates","257369","2020-10-21","18:00:00",""
"1557088","9.53897","0.0001","23.141","0.0002","9.5721","0.0001","90","","107.33","0.0012","90","","2017.04","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O -","- C27 H22 N2 O -","- C108 H88 N8 O4 -","4","1","","Zheng, Zheng; Liu, Haixiang; Zhai, Shaodong; Zhang, Haoke; Shan, Guogang; Kwok, Ryan T. K.; Ma, Chao; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Wong, Kam Sing; Hu, Xianglong; Tang, Ben Zhong","Highly efficient singlet oxygen generation, two-photon photodynamic therapy and melanoma ablation by rationally designed mitochondria-specific near-infrared AIEgens","Chemical Science","2020","11","9","2494","2503","10.1039/C9SC06441A","","x-ray","1.54184","CuKα","","0.036","0.0349","","","0.0958","0.0967","","","","","","1.001","","","","has coordinates,has disorder","257369","2020-10-21","18:00:00",""
"1557089","25.4899","0.0016","18.8304","0.0012","25.7453","0.0016","90","","103.128","0.0009","90","","12034.4","1.3","88","2","88","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H190 Dy2 K2 N6 O21 Si12 -","- C78 H190 Dy2 K2 N6 O21 Si12 -","- C312 H760 Dy8 K8 N24 O84 Si48 -","4","0.5","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0738","0.0373","","","0.0667","0.0846","","","","","","1.114","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557090","11.0616","0.001","27.199","0.002","21.7721","0.0019","90","","103.885","0.0012","90","","6359","0.9","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H102 Dy K N3 O12 Si6 -","- C42 H102 Dy K N3 O12 Si6 -","- C168 H408 Dy4 K4 N12 O48 Si24 -","4","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0678","0.0426","","","0.0928","0.1025","","","","","","1.023","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557091","25.453","0.003","18.757","0.002","25.744","0.003","90","","103.142","0.0015","90","","11969","2","88","2","88","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H190 K2 N6 O21 Si12 Tm2 -","- C78 H190 K2 N6 O21 Si12 Tm2 -","- C312 H760 K8 N24 O84 Si48 Tm8 -","4","0.5","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0349","0.0244","","","0.0509","0.0554","","","","","","1.011","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557092","21.956","0.002","22.554","0.002","25.737","0.003","90","","90","","90","","12745","2","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H102 K N3 O12 Si6 Tm -","- C42 H102 K N3 O12 Si6 Tm -","- C336 H816 K8 N24 O96 Si48 Tm8 -","8","2","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0941","0.0522","","","0.091","0.1048","","","","","","1.009","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557093","12.6614","0.0013","15.5498","0.0015","21.205","0.002","94.4758","0.0013","94.0831","0.0013","105.746","0.0012","3987.4","0.7","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H124 Gd2 K2 N4 O16 Si8 -","- C52 H124 Gd2 K2 N4 O16 Si8 -","- C104 H248 Gd4 K4 N8 O32 Si16 -","2","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0538","0.0332","","","0.0614","0.0672","","","","","","0.989","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557094","18.564","0.003","18.564","0.003","18.05","0.003","90","","90","","120","","5387","1.5","88","2","88","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C36 H90 Gd K N5 O6 Si6 -","- C36 H90 Gd K N5 O6 Si6 -","- C108 H270 Gd3 K3 N15 O18 Si18 -","3","0.166667","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0304","0.0235","","","0.0411","0.0426","","","","","","1.005","","","","has coordinates","257359","2020-10-21","18:00:00",""
"1557095","11.064","0.003","27.08","0.006","21.797","0.005","90","","103.991","0.003","90","","6337","3","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H102 Er K N3 O12 Si6 -","- C42 H102 Er K N3 O12 Si6 -","- C168 H408 Er4 K4 N12 O48 Si24 -","4","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0703","0.0496","","","0.1012","0.1081","","","","","","1.091","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557096","11.0476","0.0011","27.157","0.003","21.797","0.002","90","","103.905","0.0012","90","","6347.9","1.1","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H102 Ho K N3 O12 Si6 -","- C42 H102 Ho K N3 O12 Si6 -","- C168 H408 Ho4 K4 N12 O48 Si24 -","4","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0417","0.0368","","","0.0883","0.0914","","","","","","1.028","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557097","11.1493","0.0011","27.059","0.003","21.755","0.002","90","","104.007","0.0013","90","","6368.1","1.1","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H102 Gd K N3 O12 Si6 -","- C42 H102 Gd K N3 O12 Si6 -","- C168 H408 Gd4 K4 N12 O48 Si24 -","4","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0623","0.0466","","","0.0904","0.0953","","","","","","1.1","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557098","11.1324","0.0018","27.081","0.004","21.775","0.004","90","","103.924","0.002","90","","6371.8","1.8","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H102 K N3 O12 Si6 Tb -","- C42 H102 K N3 O12 Si6 Tb -","- C168 H408 K4 N12 O48 Si24 Tb4 -","4","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0461","0.0356","","","0.0804","0.0855","","","","","","1.024","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557099","25.507","0.011","18.806","0.008","25.726","0.011","90","","103.21","0.006","90","","12014","9","88","2","88","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H190 Gd2 K2 N6 O21 Si12 -","- C78 H190 Gd2 K2 N6 O21 Si12 -","- C312 H760 Gd8 K8 N24 O84 Si48 -","4","0.5","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.1704","0.1015","","","0.2455","0.2892","","","","","","1.027","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557100","11.0774","0.0007","27.0905","0.0018","21.7959","0.0014","90","","104","0.0009","90","","6346.5","0.7","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H102 K N3 O12 Si6 Y -","- C42 H102 K N3 O12 Si6 Y -","- C168 H408 K4 N12 O48 Si24 Y4 -","4","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.069","0.0516","","","0.1294","0.1384","","","","","","1.026","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557101","25.514","0.003","18.8","0.002","25.712","0.003","90","","103.167","0.0015","90","","12009","2","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H190 Ho2 K2 N6 O21 Si12 -","- C78 H190 Ho2 K2 N6 O21 Si12 -","- C312 H760 Ho8 K8 N24 O84 Si48 -","4","0.5","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0345","0.0251","","","0.0554","0.0589","","","","","","1.025","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557105","28.36","0.0004","12.35285","0.00017","27.666","0.0004","90","","94.6541","0.0014","90","","9660.2","0.2","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C104 H96 B4 F16 N8 O4 Pd2 -","- C88 H56 B4 F16 N8 Pd2 -","- C352 H224 B16 F64 N32 Pd8 -","4","0.5","","Lewis, James E. M.; Tarzia, Andrew; White, Andrew J. P.; Jelfs, Kim E.","Conformational control of Pd2L4 assemblies with unsymmetrical ligands","Chemical Science","2020","11","3","677","683","10.1039/C9SC05534G","","","1.54184","CuKα","","0.0494","0.0419","","","0.1118","0.119","","","","","","1.055","","","","has coordinates,has disorder","257420","2020-10-21","18:00:00",""
"1557106","23.2193","0.0009","15.8896","0.0005","38.7298","0.0015","90","","112.281","0.005","90","","13222.3","1","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C123 H119 B4 F16 N17 O9 Pd2 -","- C96 H56 N8 Pd2 -","- C384 H224 N32 Pd8 -","4","0.5","","Lewis, James E. M.; Tarzia, Andrew; White, Andrew J. P.; Jelfs, Kim E.","Conformational control of Pd2L4 assemblies with unsymmetrical ligands","Chemical Science","2020","11","3","677","683","10.1039/C9SC05534G","","","1.54184","CuKα","","0.106","0.0994","","","0.2702","0.2743","","","","","","1.078","","","","has coordinates","257420","2020-10-21","18:00:00",""
"1557107","6.29025","0.00014","7.62301","0.00017","32.0065","0.0007","90","","90.1584","0.0019","90","","1534.73","0.06","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 I N2 -","- C16 H19 I N2 -","- C64 H76 I4 N8 -","4","1","","Guo, Lifang; Li, Chuanya; Shang, Hai; Zhang, Ruoyao; Li, Xuechen; Lu, Qing; Cheng, Xiao; Liu, Zhiqiang; Sun, Jing Zhi; Yu, Xiaoqiang","A side-chain engineering strategy for constructing fluorescent dyes with direct and ultrafast self-delivery to living cells","Chemical Science","2020","11","3","661","670","10.1039/C9SC05875C","","x-ray","1.54184","CuKα","","0.0579","0.0469","","","0.1315","0.1683","","","","","","1.166","","","","has coordinates","257424","2020-10-21","18:00:00",""
"1557108","14.6729","0.0007","15.6807","0.0007","16.4518","0.0007","85.945","0.004","73.88","0.004","62.636","0.005","3222.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H87 I3 N5 O2 -","- C64 H87 I3 N5 O2 -","- C128 H174 I6 N10 O4 -","2","1","","Guo, Lifang; Li, Chuanya; Shang, Hai; Zhang, Ruoyao; Li, Xuechen; Lu, Qing; Cheng, Xiao; Liu, Zhiqiang; Sun, Jing Zhi; Yu, Xiaoqiang","A side-chain engineering strategy for constructing fluorescent dyes with direct and ultrafast self-delivery to living cells","Chemical Science","2020","11","3","661","670","10.1039/C9SC05875C","","x-ray","1.54184","CuKα","","0.0742","0.0496","","","0.1393","0.1579","","","","","","0.999","","","","has coordinates,has disorder","257424","2020-10-21","18:00:00",""
"1557109","6.9063","0.0002","7.9318","0.0002","30.157","0.0006","90","","90","","90","","1651.98","0.07","173","0.02","173","0.02","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 I N2 -","- C17 H18 I N2 -","- C68 H72 I4 N8 -","4","1","","Guo, Lifang; Li, Chuanya; Shang, Hai; Zhang, Ruoyao; Li, Xuechen; Lu, Qing; Cheng, Xiao; Liu, Zhiqiang; Sun, Jing Zhi; Yu, Xiaoqiang","A side-chain engineering strategy for constructing fluorescent dyes with direct and ultrafast self-delivery to living cells","Chemical Science","2020","11","3","661","670","10.1039/C9SC05875C","","x-ray","1.54184","CuKα","","0.058","0.0518","","","0.1385","0.1451","","","","","","1.045","","","","has coordinates","257424","2020-10-21","18:00:00",""
"1557110","13.2857","0.0009","13.9411","0.0008","20.5686","0.0015","103.573","0.002","95.666","0.003","116.252","0.002","3230.4","0.4","100","","99.98","","","","","","","","","5","P -1","-P 1","2","","UImNHC","","- C73 H92 N5 O2 U -","- C73 H92 N5 O2 U -","- C146 H184 N10 O4 U2 -","2","1","","Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye","Intra- and intermolecular interception of a photochemically generated terminal uranium nitride","Chemical Science","2020","11","9","2381","2387","10.1039/C9SC05992J","","","0.71073","MoKα","","0.0705","0.0476","","","0.1016","0.1133","","","","","","1.074","","","","has coordinates","257368","2020-10-21","18:00:00",""
"1557111","13.1219","0.0004","13.5561","0.0005","20.3099","0.0007","78.109","0.002","76.264","0.002","68.201","0.002","3230.5","0.2","100","2","100.01","","","","","","","","","4","P -1","-P 1","2","","UImNHCazide","","- C75 H88 N8 U -","- C75 H88 N8 U -","- C150 H176 N16 U2 -","2","1","","Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye","Intra- and intermolecular interception of a photochemically generated terminal uranium nitride","Chemical Science","2020","11","9","2381","2387","10.1039/C9SC05992J","","","0.71073","MoKα","","0.0562","0.0465","","","0.0979","0.1017","","","","","","1.141","","","","has coordinates,has disorder","257368","2020-10-21","18:00:00",""
"1557112","25.884","0.005","13.889","0.003","21.315","0.004","90","","110.09","0.03","90","","7197","3","100","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","UImNHCNPMe3","","- C76 H99 N6 O P U -","- C76 H99 N6 O P U -","- C304 H396 N24 O4 P4 U4 -","4","1","","Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye","Intra- and intermolecular interception of a photochemically generated terminal uranium nitride","Chemical Science","2020","11","9","2381","2387","10.1039/C9SC05992J","","","0.71073","MoKα","","0.0422","0.0279","","","0.0618","0.0667","","","","","","1.026","","","","has coordinates,has disorder","257368","2020-10-21","18:00:00",""
"1557113","14.7113","0.0008","12.979","0.0006","36.748","0.0017","90","","94.521","0.002","90","","6994.8","0.6","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","UImNHCN","","- C75 H96 N6 U -","- C75 H92 N6 U -","- C300 H368 N24 U4 -","4","1","","Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye","Intra- and intermolecular interception of a photochemically generated terminal uranium nitride","Chemical Science","2020","11","9","2381","2387","10.1039/C9SC05992J","","","0.71073","MoKα","","0.0669","0.0526","","","0.1004","0.1046","","","","","","1.228","","","","has coordinates","257368","2020-10-21","18:00:00",""
"1557114","13.1812","0.0005","15.8571","0.0006","19.6743","0.0008","110.71","0.002","90.48","0.002","105.002","0.002","3692.6","0.3","100","","100.15","","","","","","","","","5","P -1","-P 1","2","","UImNHCNPhNC","","- C82 H101 N7 O U -","- C82 H101 N7 O U -","- C164 H202 N14 O2 U2 -","2","1","","Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye","Intra- and intermolecular interception of a photochemically generated terminal uranium nitride","Chemical Science","2020","11","9","2381","2387","10.1039/C9SC05992J","","","0.71073","MoKα","","0.043","0.0327","","","0.0863","0.0924","","","","","","1.077","","","","has coordinates,has disorder","257368","2020-10-21","18:00:00",""
"1557115","11.3659","0.0004","11.9259","0.0004","17.9314","0.0006","90","","90","","90","","2430.58","0.14","153","2","153.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H26 O2 -","- C33 H26 O2 -","- C132 H104 O8 -","4","1","","Liu, Xihong; Zhang, Jingying; Bai, Lutao; Wang, Linqing; Yang, Dongxu; Wang, Rui","Catalytic asymmetric multiple dearomatizations of phenols enabled by a cascade 1,8-addition and Diels‒Alder reaction","Chemical Science","2020","11","3","671","676","10.1039/C9SC05320D","","","1.54178","CuKα","","0.0273","0.0265","","","0.0655","0.0663","","","","","","1.08","","","","has coordinates","257429","2020-10-21","18:00:00",""
"1557116","14.635","0.0007","18.1373","0.0009","22.0161","0.001","79.631","0.004","75.201","0.004","74.12","0.004","5396.2","0.5","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","","","- C64 H88 -","- C64 H88 -","- C256 H352 -","4","2","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","1.54184","CuKα","","0.1246","0.1066","","","0.2653","0.2812","","","","","","1.106","","","","has coordinates","250220","2020-10-21","18:00:00",""
"1557117","12.9083","0.0007","14.2464","0.0008","20.148","0.0015","74.898","0.006","79.351","0.005","89.459","0.004","3512.7","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H39 B F24 N7 Rh -","- C61 H39 B F24 N7 Rh -","- C122 H78 B2 F48 N14 Rh2 -","2","1","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","1.54184","CuKα","","0.1176","0.0997","","","0.2466","0.2619","","","","","","1.04","","","","has coordinates,has disorder","250220","2020-10-21","18:00:00",""
"1557118","11.7452","0.0004","16.7896","0.0005","18.5777","0.0007","84.062","0.003","73.668","0.003","70.038","0.003","3304.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H62 B F24 N5 Rh -","- C67 H62 B F24 N5 Rh -","- C134 H124 B2 F48 N10 Rh2 -","2","1","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","1.54184","CuKα","","0.0676","0.0561","","","0.1408","0.1481","","","","","","1.036","","","","has coordinates,has disorder","250220","2020-10-21","18:00:00",""
"1557119","10.7497","0.0005","11.175","0.0004","11.5688","0.0003","96.962","0.002","96.945","0.003","116.711","0.004","1207.93","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H16 F8 -","- C32 H16 F8 -","- C64 H32 F16 -","2","1","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","1.54184","CuKα","","0.0466","0.04","","","0.1068","0.1124","","","","","","1.032","","","","has coordinates","250220","2020-10-21","18:00:00",""
"1557120","19.4406","0.0003","17.1714","0.0003","19.516","0.0003","90","","103.079","0.0016","90","","6345.86","0.18","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C60 H51 B Cl2 F24 N5 Rh -","- C60 H51 B Cl2 F24 N5 Rh -","- C240 H204 B4 Cl8 F96 N20 Rh4 -","4","1","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","0.71073","MoKα","","0.0415","0.0383","","","0.0953","0.0976","","","","","","1.025","","","","has coordinates,has disorder","250220","2020-10-21","18:00:00",""
"1557121","16.95902","0.00018","18.45666","0.00019","34.7576","0.0003","90","","98.7133","0.001","90","","10753.8","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H37 B F24 N5 Rh -","- C54 H37 B F24 N5 Rh -","- C432 H296 B8 F192 N40 Rh8 -","8","1","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","0.71073","MoKα","","0.0573","0.0519","","","0.1097","0.1125","","","","","","1.146","","","","has coordinates,has disorder","250220","2020-10-21","18:00:00",""
"1557122","13.01044","0.00008","20.05043","0.00013","26.99316","0.00016","90.7652","0.0005","97.9088","0.0005","106.636","0.0005","6672.31","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H45 B F25 N5 O Rh -","- C68 H45 B F25 N5 O Rh -","- C272 H180 B4 F100 N20 O4 Rh4 -","4","2","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","1.54184","CuKα","","0.0363","0.0348","","","0.0901","0.0918","","","","","","1.015","","","","has coordinates,has disorder","250220","2020-10-21","18:00:00",""
"1557123","8.6977","0.0004","9.9164","0.0004","20.6241","0.0009","90","","90","","90","","1778.83","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O6 -","- C21 H20 O6 -","- C84 H80 O24 -","4","1","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0795","0.0511","","","0.1017","0.114","","","","","","1.04","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557124","15.4799","0.0006","12.7561","0.0005","17.7032","0.0007","90","","110.471","0.001","90","","3275","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 Br2 O9 -","- C37 H32 Br2 O9 -","- C148 H128 Br8 O36 -","4","1","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0536","0.0334","","","0.0669","0.0726","","","","","","1.008","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557125","11.1979","0.0009","12.5205","0.001","24.904","0.002","90","","93.401","0.002","90","","3485.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C160 H160 O48 -","8","2","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.1373","0.0846","","","0.199","0.226","","","","","","1.066","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557126","11.2987","0.0006","10.6941","0.0006","11.9582","0.0007","90","","90.723","0.001","90","","1444.79","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","2","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0334","0.0312","","","0.0772","0.0787","","","","","","1.039","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557127","13.6526","0.0008","9.772","0.0005","24.8831","0.0013","90","","101.015","0.002","90","","3258.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O7 -","- C18 H18 O7 -","- C144 H144 O56 -","8","2","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0426","0.0357","","","0.0847","0.0885","","","","","","1.065","","","","has coordinates,has disorder","257302","2020-10-21","18:00:00",""
"1557128","10.1038","0.0007","12.0566","0.0009","10.4153","0.0007","90","","97.827","0.002","90","","1256.95","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N O8 -","- C27 H29 N O8 -","- C54 H58 N2 O16 -","2","1","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0651","0.0431","","","0.0848","0.0916","","","","","","1.059","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557129","7.091","0.0004","16.2621","0.0009","13.2704","0.0007","90","","92.494","0.002","90","","1528.82","0.15","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C68 H80 O24 -","4","2","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","1.54178","CuKα","","0.028","0.0275","","","0.0705","0.0709","","","","","","1.042","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557130","26.9187","0.001","7.6682","0.0003","12.9814","0.0005","90","","108.271","0.003","90","","2544.5","0.17","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H29 N O8 -","- C27 H29 N O8 -","- C108 H116 N4 O32 -","4","1","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0478","0.0375","","","0.0836","0.0876","","","","","","1.04","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557131","6.0431","0.0002","13.3857","0.0004","14.3592","0.0004","90","","90","","90","","1161.53","0.06","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H5 D N2 -","- C6 H5 D N2 -","- C48 H40 D8 N16 -","8","1","","Yang, Huan; Zhang, Li; Zhou, Fei-Yu; Jiao, Lei","An umpolung approach to the hydroboration of pyridines: a novel and efficient synthesis of N-H 1,4-dihydropyridines","Chemical Science","2020","11","3","742","747","10.1039/C9SC05627K","","x-ray","1.54184","CuKα","","0.0746","0.0667","","","0.1497","0.1598","","","","","","1.099","","","","has coordinates","257419","2020-10-21","18:00:00",""
"1557132","13.9378","0.0012","13.9378","0.0012","8.2316","0.0008","90","","90","","120","","1384.9","0.2","299","2","298.94","","","","","","","","","3","P 3 1 m","P 3 -2","157","","","","- In8 Ir1.5 S5.25 -","- In8 Ir1.5 S5.25 -","- In32 Ir6 S21 -","4","0.666667","","Khoury, Jason F.; He, Jiangang; Pfluger, Jonathan E.; Hadar, Ido; Balasubramanian, Mahalingam; Stoumpos, Constantinos C.; Zu, Rui; Gopalan, Venkatraman; Wolverton, Chris; Kanatzidis, Mercouri G.","Ir6In32S21, a polar, metal-rich semiconducting subchalcogenide","Chemical Science","2020","11","3","870","878","10.1039/C9SC05609B","","","0.71073","MoKα","","0.0278","0.0258","","","0.0691","0.0704","","","","","","1.075","","","","has coordinates","257422","2020-10-21","18:00:00",""
"1557138","8.4484","0.0002","22.6578","0.0004","17.8169","0.0003","90","","90.006","0.001","90","","3410.55","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H30 O3 -","- C19 H30 O3 -","- C152 H240 O24 -","8","4","","Chen, He-Ping; Zhao, Zhen-Zhu; Cheng, Gui-Guang; Zhao, Kuan; Han, Kai-Yue; Zhou, Lin; Feng, Tao; Li, Zheng-Hui; Liu, Ji-Kai","Immunosuppressive Nor-isopimarane Diterpenes from Cultures of the Fungicolous Fungus <i>Xylaria longipes</i> HFG1018.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b00889","","","1.54178","CuKα","","0.0324","0.0322","","","0.0876","0.0882","","","","","","1.055","","","","has coordinates","247156","2020-10-21","18:00:00",""
"1557139","6.8215","0.0006","10.0565","0.0008","24.1425","0.0019","90","","90","","90","","1656.2","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O3 -","- C19 H30 O3 -","- C76 H120 O12 -","4","1","","Chen, He-Ping; Zhao, Zhen-Zhu; Cheng, Gui-Guang; Zhao, Kuan; Han, Kai-Yue; Zhou, Lin; Feng, Tao; Li, Zheng-Hui; Liu, Ji-Kai","Immunosuppressive Nor-isopimarane Diterpenes from Cultures of the Fungicolous Fungus <i>Xylaria longipes</i> HFG1018.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b00889","","","1.54178","CuKα","","0.0371","0.0368","","","0.0986","0.099","","","","","","1.113","","","","has coordinates","247157","2020-10-21","18:00:00",""
"1557140","21.2462","0.0012","8.9711","0.0005","8.8437","0.0005","90","","98.376","0.001","90","","1667.65","0.16","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H30 O2 -","- C19 H30 O2 -","- C76 H120 O8 -","4","1","","Chen, He-Ping; Zhao, Zhen-Zhu; Cheng, Gui-Guang; Zhao, Kuan; Han, Kai-Yue; Zhou, Lin; Feng, Tao; Li, Zheng-Hui; Liu, Ji-Kai","Immunosuppressive Nor-isopimarane Diterpenes from Cultures of the Fungicolous Fungus <i>Xylaria longipes</i> HFG1018.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b00889","","","1.54178","CuKα","","0.0289","0.0284","","","0.0754","0.076","","","","","","1.045","","","","has coordinates","247158","2020-10-21","18:00:00",""
"1557141","13.949","0.003","15.719","0.003","15.272","0.003","90","","107.438","0.013","90","","3194.7","1.1","100","","99.99","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H50 N2 O4 -","- C68 H50 N2 O4 -","- C136 H100 N4 O8 -","2","1","","Chen, Michelle; Powers-Riggs, Natalia E.; Coleman, Adam F.; Young, Ryan M.; Wasielewski, Michael R.","Singlet Fission in Quaterrylenediimide Thin Films","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b10397","","","1.54178","CuKα","","0.1661","0.1205","","","0.3002","0.3549","","","","","","1.052","","","","has coordinates","247170","2020-10-21","18:00:00",""
"1557142","7.5074","0.0004","11.2005","0.0006","11.2581","0.0005","70.42","0.004","78.131","0.004","84.462","0.004","872.46","0.08","100","0.1","99.95","0.15","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cl N3 O Pd -","- C18 H20 Cl N3 O Pd -","- C36 H40 Cl2 N6 O2 Pd2 -","2","1","","Czyz, Milena L.; Weragoda, Geethika K.; Horngren, Tyra H.; Connell, Timothy U.; Gomez, Daniel; O'Hair, Richard A. J.; Polyzos, Anastasios","Photoexcited Pd(ii) auxiliaries enable light-induced control in C(sp3)‒H bond functionalisation","Chemical Science","2020","11","9","2455","2463","10.1039/C9SC05722F","","x-ray","0.71073","MoKα","","0.0686","0.05","","","0.1073","0.1152","","","","","","1.06","","","","has coordinates","257367","2020-10-21","18:00:00",""
"1557143","14.1914","0.0005","9.0659","0.0003","16.0033","0.0005","90","","101.488","0.002","90","","2017.7","0.12","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N O4 P -","- C23 H24 N O4 P -","- C92 H96 N4 O16 P4 -","4","1","","Hirai, Yuichi; Wrona-Piotrowicz, Anna; Zakrzewski, Janusz; Brosseau, Arnaud; Guillot, Régis; Métivier, Rémi; Allain, Clémence","Mechanofluorochromism of pyrene-derived amidophosphonates.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","2","229","234","10.1039/c9pp00457b","","x-ray","1.54178","CuKα","","0.0658","0.0473","","","0.1046","0.1147","","","","","","1.037","","","","has coordinates","249051","2020-10-21","18:00:00",""
"1557144","26.8408","0.0013","9.9974","0.0005","17.4578","0.0008","90","","110.506","0.001","90","","4387.8","0.4","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 N O4 P -","- C25 H28 N O4 P -","- C200 H224 N8 O32 P8 -","8","1","","Hirai, Yuichi; Wrona-Piotrowicz, Anna; Zakrzewski, Janusz; Brosseau, Arnaud; Guillot, Régis; Métivier, Rémi; Allain, Clémence","Mechanofluorochromism of pyrene-derived amidophosphonates.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","2","229","234","10.1039/c9pp00457b","","x-ray","1.54178","CuKα","","0.0335","0.033","","","0.0852","0.0856","","","","","","1.048","","","","has coordinates,has disorder","249051","2020-10-21","18:00:00",""
"1557145","9.7414","0.0005","10.2898","0.0005","13.4571","0.0006","110.284","0.001","109.513","0.001","90.732","0.001","1179.9","0.1","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N O4 P -","- C28 H26 N O4 P -","- C56 H52 N2 O8 P2 -","2","1","","Hirai, Yuichi; Wrona-Piotrowicz, Anna; Zakrzewski, Janusz; Brosseau, Arnaud; Guillot, Régis; Métivier, Rémi; Allain, Clémence","Mechanofluorochromism of pyrene-derived amidophosphonates.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","2","229","234","10.1039/c9pp00457b","","x-ray","1.54178","CuKα","","0.0382","0.0377","","","0.1013","0.1017","","","","","","1.074","","","","has coordinates,has disorder","249051","2020-10-21","18:00:00",""
"1557149","12.2782","0.0016","11.9261","0.0015","18.859","0.002","90","","103.754","0.004","90","","2682.4","0.6","150","2","149.98","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 N4 O3 -","- C30 H32 N4 O3 -","- C120 H128 N16 O12 -","4","1","","Wang, Shuo; Ren, Jia-Shu; Shan, Lian-Yun; Sun, Xiao-Yan; Di, Bin; Gu, Ning; Chen, Jin-Long","Triplexed Tracking Labile Sulfur-Containing Species on a Single-Molecule ""Nezha"" Sensor.","Analytical chemistry","2020","","","","","10.1021/acs.analchem.9b04688","","","0.71073","MoKα","","0.1814","0.1049","","","0.2285","0.2638","","","","","","1.11","","","","has coordinates,has disorder","247224","2020-10-21","18:00:00",""
"1557155","26.5998","0.0004","13.18144","0.00015","32.7719","0.0004","90","","104.629","0.0014","90","","11118.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C116 H154 Cl N9 O9 Ti2 -","- C112 H148 Cl N7 O9 Ti2 -","- C448 H592 Cl4 N28 O36 Ti8 -","4","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71073","MoKα","","0.0836","0.0646","","","0.1595","0.1677","","","","","","1.087","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557156","11.0509","0.0002","9.6943","0.00018","14.8668","0.0003","90","","108.131","0.002","90","","1513.61","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H44 Cl2 O2 Ti -","- C30 H44 Cl2 O2 Ti -","- C60 H88 Cl4 O4 Ti2 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71073","MoKα","","0.0297","0.0293","","","0.0762","0.0765","","","","","","1.067","","","","has coordinates","257214","2020-10-21","18:00:00",""
"1557157","17.651","0.0002","18.2749","0.0002","19.8507","0.0002","67.4531","0.0011","68.6833","0.0011","73.3966","0.0012","5428.93","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C220 H283 Cl6 N15 O20 Ti6 -","- C220 H283 Cl6 N15 O20 Ti6 -","- C220 H283 Cl6 N15 O20 Ti6 -","1","0.5","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71075","MoKα","","0.0809","0.0744","","","0.2242","0.2307","","","","","","1.036","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557158","17.4371","0.0007","17.7765","0.0004","21.1345","0.0004","100.63","0.002","93.526","0.003","104.426","0.003","6195.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C125 H172.5 Cl N8.5 O9 Ti2 -","- C125 H172.5 Cl N8.5 O9 Ti2 -","- C250 H345 Cl2 N17 O18 Ti4 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","1.54178","CuKα","","0.1417","0.0986","","","0.2587","0.2928","","","","","","1.022","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557159","12.5697","0.0002","18.1183","0.0004","27.5282","0.0003","104.559","0.0015","98.781","0.0013","102.093","0.0018","5792.04","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H164 Cl2 N6 O8 Ti2 -","- C115 H152 Cl2 N3.5 O8 Ti2 -","- C230 H304 Cl4 N7 O16 Ti4 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","1.54178","CuKα","","0.1083","0.0925","","","0.2464","0.2596","","","","","","1.072","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557160","13.9465","0.0002","17.4744","0.0003","23.5392","0.0002","85.6028","0.0011","74.2347","0.0012","74.5316","0.0014","5320.83","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H140 Cl N7 O9 Ti2 -","- C102.6 H131.9 Cl N4.3 O9 Ti2 -","- C205.2 H263.8 Cl2 N8.6 O18 Ti4 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","1.54178","CuKα","","0.0967","0.0936","","","0.2616","0.2645","","","","","","1.093","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557161","16.3253","0.0004","17.3213","0.0003","23.5069","0.0003","102.481","0.002","91.495","0.002","101.593","0.002","6340.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C130.71 H174.42 Cl N2.85 O11.43 Ti2 -","- C130.704 H173.556 Cl N2.8521 O11.432 Ti2 -","- C261.408 H347.113 Cl2 N5.7042 O22.864 Ti4 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71073","MoKα","","0.1361","0.0718","","","0.1777","0.2075","","","","","","1.021","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557162","26.6007","0.0004","13.18235","0.00014","32.7812","0.0005","90","","104.622","0.0017","90","","11122.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C113 H149.5 Cl N7.5 O9 Ti2 -","- C113 H149.5 Cl N7.5 O9 Ti2 -","- C452 H598 Cl4 N30 O36 Ti8 -","4","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","0.71073","MoKα","","0.0944","0.0754","","","0.1944","0.2043","","","","","","1.114","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557163","12.14575","0.00013","18.0271","0.0002","21.0909","0.0002","95.2564","0.0009","105.355","0.0009","90.2869","0.0009","4432.27","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H61 Cl N2 O4 Ti -","- C49 H61 Cl N2 O4 Ti -","- C196 H244 Cl4 N8 O16 Ti4 -","4","2","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","1.54178","CuKα","","0.0408","0.0386","","","0.1092","0.1107","","","","","","1.068","","","","has coordinates","257214","2020-10-21","18:00:00",""
"1557164","43.9803","0.0004","12.41683","0.00017","19.4608","0.0002","90","","94.9954","0.001","90","","10587.1","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H72 Cl2 N2 O4 Ti -","- C54 H72 Cl2 N2 O4 Ti -","- C432 H576 Cl16 N16 O32 Ti8 -","8","1","","Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl","Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters","Catalysis Science & Technology","2020","10","6","1619","1639","10.1039/C9CY02571E","","","1.54178","CuKα","","0.0454","0.0413","","","0.1156","0.1182","","","","","","1.069","","","","has coordinates,has disorder","257214","2020-10-21","18:00:00",""
"1557165","13.9904","0.0007","14.295","0.0008","48.384","0.002","90","","94.664","0.002","90","","9644.4","0.8","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H102 Au4 P2 Ru2 S8 -","- C100 H102 Au4 P2 Ru2 S8 -","- C400 H408 Au16 P8 Ru8 S32 -","4","1","","Sun, Yongnan; Pei, Wei; Xie, Mingcai; Xu, Shun; Zhou, Si; Zhao, Jijun; Xiao, Kang; Zhu, Yan","Excitonic Au4Ru2(PPh3)2(SC2H4Ph)8 cluster for light-driven dinitrogen fixation","Chemical Science","2020","11","9","2440","2447","10.1039/C9SC06424A","","","0.71073","MoKα","","0.0495","0.0433","","","0.1085","0.1112","","","","","","1.13","","","","has coordinates","257373","2020-10-21","18:00:00",""
"1557169","16.4615","0.0013","7.573","0.0006","16.0803","0.0013","90","","111.302","0.001","90","","1867.7","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O5 -","- C23 H22 O5 -","- C92 H88 O20 -","4","1","","Maeda, Gasper; van der Wal, Jelle; Gupta, Arvind Kumar; Munissi, Joan J. E.; Orthaber, Andreas; Sunnerhagen, Per; Nyandoro, Stephen S.; Erdélyi, Máté","Oxygenated Cyclohexene Derivatives and Other Constituents from the Roots of <i>Monanthotaxis trichocarpa</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b00363","","","0.71073","MoKα","","0.0552","0.0412","","","0.0999","0.1098","","","","","","1.027","","","","has coordinates","247317","2020-10-21","18:00:00",""
"1557170","5.933","0.0005","13.4485","0.0011","12.3282","0.001","90","","96.291","0.001","90","","977.74","0.14","123","2","123.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 Cl O6 -","- C22 H21 Cl O6 -","- C44 H42 Cl2 O12 -","2","1","","Maeda, Gasper; van der Wal, Jelle; Gupta, Arvind Kumar; Munissi, Joan J. E.; Orthaber, Andreas; Sunnerhagen, Per; Nyandoro, Stephen S.; Erdélyi, Máté","Oxygenated Cyclohexene Derivatives and Other Constituents from the Roots of <i>Monanthotaxis trichocarpa</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b00363","","","0.71073","MoKα","","0.0483","0.0385","","","0.0808","0.0855","","","","","","1.045","","","","has coordinates,has disorder","247318","2020-10-21","18:00:00",""
"1557171","22.1881","0.0003","11.5778","0.0001","29.7479","0.0004","90","","106.38","0.001","90","","7331.75","0.16","173","0.1","173","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H53 F N2 O2 Zn -","- C37 H53 F N2 O2 Zn -","- C296 H424 F8 N16 O16 Zn8 -","8","2","","Jiang, Jinxing; Cui, Yaqin; Lu, Yaguang; Zhang, Bin; Pan, Xiaobo; Wu, Jincai","Weak Lewis Pairs as Catalysts for Highly Isoselective Ring-Opening Polymerization of Epimerically Labile rac-O-Carboxyanhydride of Mandelic Acid","Macromolecules","2020","","","","","10.1021/acs.macromol.9b02302","","","1.54184","CuKα","","0.0473","0.0387","","","0.0996","0.1072","","","","","","1.026","","","","has coordinates","247327","2020-10-21","18:00:00",""
"1557172","15.3766","0.0002","17.6353","0.0003","13.571","0.0003","90","","105.2","0.0018","90","","3551.32","0.11","292.7","0.2","292.7","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H51 F N2 O2 Zn -","- C36 H51 F N2 O2 Zn -","- C144 H204 F4 N8 O8 Zn4 -","4","1","","Jiang, Jinxing; Cui, Yaqin; Lu, Yaguang; Zhang, Bin; Pan, Xiaobo; Wu, Jincai","Weak Lewis Pairs as Catalysts for Highly Isoselective Ring-Opening Polymerization of Epimerically Labile rac-O-Carboxyanhydride of Mandelic Acid","Macromolecules","2020","","","","","10.1021/acs.macromol.9b02302","","","1.54184","CuKα","","0.0509","0.0448","","","0.1251","0.1329","","","","","","1.031","","","","has coordinates","247328","2020-10-21","18:00:00",""
"1557173","17.31801","0.00012","12.99024","0.0001","19.71788","0.00016","90","","94.4442","0.0007","90","","4422.5","0.06","110","0.1","110","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54.28 H49.13 Ir O0.28 P3 -","- C54.283 H49.132 Ir O0.283 P3 -","- C217.132 H196.528 Ir4 O1.132 P12 -","4","1","","Tickner, Ben J.; Semenova, Olga; Iali, Wissam; Rayner, Peter J.; Whitwood, Adrian C.; Duckett, Simon B.","Optimisation of pyruvate hyperpolarisation using SABRE by tuning the active magnetisation transfer catalyst.","Catalysis science & technology","2020","10","5","1343","1355","10.1039/c9cy02498k","","x-ray","1.54184","CuKα","","0.0237","0.0199","","","0.0458","0.048","","","","","","1.047","","","","has coordinates","254859","2020-10-21","18:00:00",""
"1557174","12.9317","0.0002","16.6","0.0003","25.5365","0.0004","90","","90.2757","0.0013","90","","5481.76","0.16","110","0.1","110","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H68 Cl2 Ir2 N4 O S2 -","- C57 H68 Cl2 Ir2 N4 O S2 -","- C228 H272 Cl8 Ir8 N16 O4 S8 -","4","1","","Tickner, Ben J.; Semenova, Olga; Iali, Wissam; Rayner, Peter J.; Whitwood, Adrian C.; Duckett, Simon B.","Optimisation of pyruvate hyperpolarisation using SABRE by tuning the active magnetisation transfer catalyst.","Catalysis science & technology","2020","10","5","1343","1355","10.1039/c9cy02498k","","x-ray","1.54184","CuKα","","0.0357","0.0299","","","0.0678","0.0712","","","","","","1.036","","","","has coordinates,has disorder","254859","2020-10-21","18:00:00",""
"1557175","8.127","0.007","8.411","0.009","12.536","0.01","105.36","0.04","96.52","0.02","94.77","0.03","815.2","1.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 4-(1<i>H</i>-imidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","","- C16 H21 N3 O4 -","- C16 H21 N3 O4 -","- C32 H42 N6 O8 -","2","1","BT4088","Yoo, Miri; Koh, Dongsoo","Diethyl 4-(1<i>H</i>-imidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","IUCrData","2020","5","1","x200034","","10.1107/S2414314620000346","","","0.71073","MoKα","","0.0621","0.0488","","","0.1318","0.142","","","","","","1.059","","","","has coordinates,has Fobs","247338","2020-10-21","18:00:00",""
"1557176","13.209","0.007","6.343","0.003","27.08","0.014","90","","103.356","0.008","90","","2207.5","1.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[4-(4-Methoxyphenyl)-8-oxo-3-(phenylselanyl)spiro[4.5]deca-3,6,9-trien-2-yl]methylcyanamide","","- C25 H22 N2 O2 Se -","- C25 H22 N2 O2 Se -","- C100 H88 N8 O8 Se4 -","4","1","BV4028","Morris, LaQuze L.; Alvarado, Clarisa A.; Goncalves, Julia M.; Singh, Ravi P.; Lovely, Carl J.; Yousufuddin, Muhammed","[4-(4-Methoxyphenyl)-8-oxo-3-(phenylselanyl)spiro[4.5]deca-3,6,9-trien-2-yl]methylcyanamide","IUCrData","2020","5","1","x200078","","10.1107/S2414314620000784","","","0.71073","MoKα","","0.0797","0.0412","","","0.0937","0.1076","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","247339","2020-10-21","18:00:00",""
"1557177","7.484","0.001","8.587","0.001","18.523","0.002","83.782","0.004","81.868","0.004","71.189","0.004","1113","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","Bis(1-dodecyl-4-aza-1-azoniabicyclo[2.2.2]octane)tetraisothiocyanatocobalt(II)","","- C40 H74 Co N8 S4 -","- C40 H74 Co N8 S4 -","- C40 H74 Co N8 S4 -","1","0.5","WM4120","Giltzau, Niels Ole; Köckerling, Martin","Bis(1-dodecyl-4-aza-1-azoniabicyclo[2.2.2]octane)tetraisothiocyanatocobalt(II)","IUCrData","2020","5","1","x200023","","10.1107/S2414314620000231","","","0.71073","MoKα","","0.0932","0.0489","","","0.0927","0.1064","","","","","","1.043","","","","has coordinates,has Fobs","247340","2020-10-21","18:00:00",""
"1557178","15.5801","0.0012","8.3414","0.0006","12.1298","0.0008","90","","97.086","0.003","90","","1564.35","0.19","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(4-Fluoro-2-hydroxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","","- C18 H17 F O5 -","- C18 H17 F O5 -","- C72 H68 F4 O20 -","4","1","LH4051","Yoo, Miri; Koh, Dongsoo","(<i>E</i>)-1-(4-Fluoro-2-hydroxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","IUCrData","2020","5","1","x200071","","10.1107/S2414314620000711","","","0.71073","MoKα","","0.0856","0.0475","","","0.107","0.1246","","","","","","1.013","","","","has coordinates,has Fobs","247341","2020-10-21","18:00:00",""
"1557183","11.7728","0.0011","11.7728","0.0011","17.1159","0.0015","90","","90","","90","","2372.2","0.4","173","","173","","","","","","","","","4","P 41","P 4w","76","","","","- C26 H28 N4 O5 -","- C26 H28 N4 O5 -","- C104 H112 N16 O20 -","4","1","","Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing","Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b01721","","","1.54178","CuKα","","0.0275","0.0266","","","0.0691","0.0699","","","","","","1.018","","","","has coordinates","247351","2020-10-21","18:00:00",""
"1557184","8.4194","0.0002","8.5433","0.0002","19.1641","0.0005","90","","90","","90","","1378.46","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N3 O5 -","- C13 H15 N3 O5 -","- C52 H60 N12 O20 -","4","1","","Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing","Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b01721","","","1.54178","CuKα","","0.0256","0.0255","","","0.0625","0.0626","","","","","","1.073","","","","has coordinates","247352","2020-10-21","18:00:00",""
"1557185","10.1492","0.0004","10.1392","0.0004","25.2626","0.0011","96.515","0.001","96.515","0.001","107.35","","2435.42","0.17","173","","173","","","","","","","","","5","P 1","P 1","1","","","","- C25 H23 F4 N5 O5 -","- C25 H23 F4 N5 O5 -","- C100 H92 F16 N20 O20 -","4","4","","Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing","Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b01721","","","1.54178","CuKα","","0.0361","0.0342","","","0.0853","0.0873","","","","","","1.043","","","","has coordinates","247353","2020-10-21","18:00:00",""
"1557186","5.8178","0.0003","16.9835","0.001","28.2863","0.0017","90","","90","","90","","2794.9","0.3","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N4 O2 -","- C15 H14 N4 O2 -","- C120 H112 N32 O16 -","8","2","","Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing","Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b01721","","","1.54178","CuKα","","0.0395","0.0354","","","0.0814","0.0845","","","","","","1.072","","","","has coordinates","247354","2020-10-21","18:00:00",""
"1557187","6.20271","0.00018","12.9748","0.0004","17.3444","0.0004","90","","96.612","0.002","90","","1386.57","0.07","108","0.14","108","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O6 -","- C15 H16 O6 -","- C60 H64 O24 -","4","1","","Liu, Tingting; Wu, Haibo; Zhang, Jing; Deng, Wenjie; Yang, Luowenlei","Modified Eremophilanes from Parasenecio hastatus and Their Neuroprotective Activities","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00217","","x-ray","1.54184","CuKα","","0.0408","0.0385","","","0.0995","0.1014","","","","","","1.051","","","","has coordinates","247355","2020-10-21","18:00:00",""
"1557188","8.7529","0.0005","5.1376","0.0003","14.4614","0.0008","90","","104.921","0.006","90","","628.39","0.06","106.8","","106.8","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C32 H36 O6 -","2","1","","Liu, Tingting; Wu, Haibo; Zhang, Jing; Deng, Wenjie; Yang, Luowenlei","Modified Eremophilanes from Parasenecio hastatus and Their Neuroprotective Activities","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00217","","","1.5418","CuKα","","0.0326","0.0321","","","0.0862","0.0868","","","","","","1.057","","","","has coordinates","247356","2020-10-21","18:00:00",""
"1557189","10.7749","0.0011","15.2475","0.0015","12.314","0.0013","90","","108.515","0.008","90","","1918.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 F6 N2 O3 -","- C22 H12 F6 N2 O3 -","- C88 H48 F24 N8 O12 -","4","1","","Malla, Javid Ahmad; Umesh, Rintu M.; Vijay, Amal; Mukherjee, Arnab; Lahiri, Mayurika; Talukdar, Pinaki","Apoptosis-inducing activity of a fluorescent barrel-rosette M+/Cl− channel","Chemical Science","2020","11","9","2420","2428","10.1039/C9SC06520B","","","1.54178","CuKα","","0.2321","0.0866","","","0.186","0.259","","","","","","0.996","","","","has coordinates","257372","2020-10-21","18:00:00",""
"1557193","14.0565","0.0007","5.9201","0.0003","7.8474","0.0004","90","","92.837","0.003","90","","652.23","0.06","296","","296","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 -","- C20 H14 -","- C40 H28 -","2","0.5","","Shibuya, Yusuke; Aonuma, Kazuhiro; Kimura, Tomohiro; Kaneko, Takuro; Fujiwara, Wataru; Yamaguchi, Yuji; Kumaki, Daisuke; Tokito, Shizuo; Katagiri, Hiroshi","Linear Biazulene Isomers: Effects of Molecular and Packing Structure on Optoelectronic and Charge-Transport Properties","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11214","","","1.54187","CuKα","","0.1901","0.0958","","","0.2527","0.3442","","","","","","0.905","","","","has coordinates,has disorder","247393","2020-10-21","18:00:00",""
"1557194","13.5349","0.0007","6.0042","0.0003","8.1543","0.0004","90","","94.232","0.004","90","","660.86","0.06","293","","293","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 -","- C20 H14 -","- C40 H28 -","2","0.5","","Shibuya, Yusuke; Aonuma, Kazuhiro; Kimura, Tomohiro; Kaneko, Takuro; Fujiwara, Wataru; Yamaguchi, Yuji; Kumaki, Daisuke; Tokito, Shizuo; Katagiri, Hiroshi","Linear Biazulene Isomers: Effects of Molecular and Packing Structure on Optoelectronic and Charge-Transport Properties","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11214","","","0.71073","MoKα","","0.0712","0.0527","","","0.1404","0.155","","","","","","1.08","","","","has coordinates","247394","2020-10-21","18:00:00",""
"1557195","5.9457","0.0003","7.8815","0.0005","14.0822","0.0008","86.684","0.005","87.09","0.005","88.848","0.005","657.85","0.07","296","","296","","","","","","","","","2","P -1","-P 1","2","","","","- C20 H14 -","- C20 H14 -","- C40 H28 -","2","1","","Shibuya, Yusuke; Aonuma, Kazuhiro; Kimura, Tomohiro; Kaneko, Takuro; Fujiwara, Wataru; Yamaguchi, Yuji; Kumaki, Daisuke; Tokito, Shizuo; Katagiri, Hiroshi","Linear Biazulene Isomers: Effects of Molecular and Packing Structure on Optoelectronic and Charge-Transport Properties","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11214","","","0.71073","MoKα","","0.1123","0.0583","","","0.1269","0.1522","","","","","","1.054","","","","has coordinates","247395","2020-10-21","18:00:00",""
"1557196","6.087","0.0002","7.5639","0.0003","14.4293","0.0005","97.942","0.002","95.597","0.002","90.921","0.003","654.54","0.04","296","","296","","","","","","","","","2","P -1","-P 1","2","","","","- C20 H14 -","- C20 H14 -","- C40 H28 -","2","1","","Shibuya, Yusuke; Aonuma, Kazuhiro; Kimura, Tomohiro; Kaneko, Takuro; Fujiwara, Wataru; Yamaguchi, Yuji; Kumaki, Daisuke; Tokito, Shizuo; Katagiri, Hiroshi","Linear Biazulene Isomers: Effects of Molecular and Packing Structure on Optoelectronic and Charge-Transport Properties","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11214","","","1.54187","CuKα","","0.0602","0.0492","","","0.1129","0.1286","","","","","","1.157","","","","has coordinates","247396","2020-10-21","18:00:00",""
"1557197","15.21","0.005","16.731","0.005","23.716","0.007","90","","104.529","0.006","90","","5842","3","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H62 N6 O13 Zn2 -","- C58 H60 N6 O13 Zn2 -","- C232 H240 N24 O52 Zn8 -","4","1","","Fu, Guorui; He, Yani; Li, Wentao; Miao, Tiezheng; Lü, Xingqiang; He, Hongshan; Liu, Li; Wong, Wai-Yeung","Efficient white polymer light-emitting diodes (WPLEDs) based on covalent-grafting of [Zn2(MP)3(OAc)] into PVK","Chemical Science","2020","11","10","2640","2646","10.1039/C9SC05288G","","","","","","0.218","","","","","","","","","","","","","","","has coordinates","257291","2020-10-21","18:00:00",""
"1557201","5.996","0.0001","12.4304","0.0001","14.2341","0.0002","90","","94.361","0.001","90","","1057.83","0.02","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H28 O8 -","- C23 H28 O8 -","- C46 H56 O16 -","2","1","","Wang, Rong; Fan, Run-Zhu; Ni, Fu-Qiang; Sang, Jun; Xie, Xing-Lin; Luo, Si-Yuan; Tang, Gui-Hua; Yin, Sheng","19-nor-, 20-nor-, and tetranor-Halimane-Type Furanoditerpenoids from Croton crassifolius","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00634","","x-ray","1.54184","CuKα","","0.0991","0.0971","","","0.2491","0.2545","","","","","","1.099","","","","has coordinates","247416","2020-10-21","18:00:00",""
"1557202","6.3062","0.0001","7.6848","0.0001","9.7183","0.0002","87.904","0.001","80.198","0.001","87.694","0.001","463.505","0.014","99.99","0.11","99.99","0.11","","","","","","","","3","P 1","P 1","1","","","","- C21 H26 O5 -","- C21 H26 O5 -","- C21 H26 O5 -","1","1","","Wang, Rong; Fan, Run-Zhu; Ni, Fu-Qiang; Sang, Jun; Xie, Xing-Lin; Luo, Si-Yuan; Tang, Gui-Hua; Yin, Sheng","19-nor-, 20-nor-, and tetranor-Halimane-Type Furanoditerpenoids from Croton crassifolius","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00634","","x-ray","1.54184","CuKα","","0.0283","0.0271","","","0.0699","0.0725","","","","","","1.058","","","","has coordinates","247417","2020-10-21","18:00:00",""
"1557203","8.0315","0.0001","8.3527","0.0002","27.8078","0.0005","90","","90","","90","","1865.48","0.06","99.99","0.1","99.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O6 -","- C21 H26 O6 -","- C84 H104 O24 -","4","1","","Wang, Rong; Fan, Run-Zhu; Ni, Fu-Qiang; Sang, Jun; Xie, Xing-Lin; Luo, Si-Yuan; Tang, Gui-Hua; Yin, Sheng","19-nor-, 20-nor-, and tetranor-Halimane-Type Furanoditerpenoids from Croton crassifolius","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00634","","x-ray","1.54184","CuKα","","0.0371","0.0359","","","0.0938","0.0945","","","","","","1.044","","","","has coordinates","247418","2020-10-21","18:00:00",""
"1557204","7.77753","0.00005","10.89287","0.00006","25.97545","0.00015","90","","90","","90","","2200.63","0.02","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O10 -","- C24 H26 O10 -","- C96 H104 O40 -","4","1","","Wang, Rong; Fan, Run-Zhu; Ni, Fu-Qiang; Sang, Jun; Xie, Xing-Lin; Luo, Si-Yuan; Tang, Gui-Hua; Yin, Sheng","19-nor-, 20-nor-, and tetranor-Halimane-Type Furanoditerpenoids from Croton crassifolius","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00634","","x-ray","1.54184","CuKα","","0.0279","0.0267","","","0.0723","0.0795","","","","","","1.159","","","","has coordinates","247419","2020-10-21","18:00:00",""
"1557205","7.9019","0.0001","10.2955","0.0001","25.9952","0.0004","90","","90","","90","","2114.81","0.05","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O8 -","- C23 H28 O8 -","- C92 H112 O32 -","4","1","","Wang, Rong; Fan, Run-Zhu; Ni, Fu-Qiang; Sang, Jun; Xie, Xing-Lin; Luo, Si-Yuan; Tang, Gui-Hua; Yin, Sheng","19-nor-, 20-nor-, and tetranor-Halimane-Type Furanoditerpenoids from Croton crassifolius","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00634","","x-ray","1.54184","CuKα","","0.0368","0.0353","","","0.0976","0.0988","","","","","","1.106","","","","has coordinates","247420","2020-10-21","18:00:00",""
"1557206","11.012","0.009","16.138","0.013","11.225","0.009","90","","96.899","0.012","90","","1980","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 N2 O2 -","- C20 H30 N2 O2 -","- C80 H120 N8 O8 -","4","1","","Chen, Hang; Ye, Hebo; Hai, Yu; Zhang, Ling; You, Lei","n →π* interactions as a versatile tool for controlling dynamic imine chemistry in both organic and aqueous media","Chemical Science","2020","11","10","2707","2715","10.1039/C9SC05698J","","","0.71073","MoKα","","0.0813","0.0547","","","0.13","0.1445","","","","","","1.093","","","","has coordinates","257290","2020-10-21","18:00:00",""
"1557207","17.03","0.02","10.58","0.01","22.26","0.04","90","","103.23","0.03","90","","3904","9","173","2","173.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C19 H29 N3 O2 -","- C19 H29 N3 O2 -","- C152 H232 N24 O16 -","8","1","","Chen, Hang; Ye, Hebo; Hai, Yu; Zhang, Ling; You, Lei","n →π* interactions as a versatile tool for controlling dynamic imine chemistry in both organic and aqueous media","Chemical Science","2020","11","10","2707","2715","10.1039/C9SC05698J","","","0.71073","MoKα","","0.1482","0.088","","","0.2275","0.2777","","","","","","1.072","","","","has coordinates","257290","2020-10-21","18:00:00",""
"1557208","29.1537","0.0009","8.8739","0.0003","19.9919","0.0006","90","","123.621","0.001","90","","4306.9","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","o-Phenylenediammonium bis(p-toluenesulfonate)","Benzene-1,2-diaminium bis(4-methylbenzene-1-sulfonate)","","- C20 H24 N2 O6 S2 -","- C20 H24 N2 O6 S2 -","- C160 H192 N16 O48 S16 -","8","1","BV4029","Narvekar, Kedar U.; Srinivasan, Bikshandarkoil R.","Benzene-1,2-diaminium bis(4-methylbenzene-1-sulfonate)","IUCrData","2020","5","1","x200100","","10.1107/S2414314620001005","","","0.71073","MoKα","","0.0674","0.0399","","","0.1028","0.1263","","","","","","1.074","","","","has coordinates,has Fobs","247444","2020-10-21","18:00:00",""
"1557209","5.5075","0.0003","6.789","0.0003","12.2572","0.0006","90","","90","","90","","458.3","0.04","100","","100","","","","","","","","","3","I m m m","-I 2 2","71","Caesium tetrafluoridobromate(III)","Caesium tetrafluoridobromate(III)","","- Br Cs F4 -","- Br Cs F4 -","- Br4 Cs4 F16 -","4","0.25","WM4121","Malin, Artem V.; Ivlev, Sergei I.; Ostvald, Roman V.; Kraus, Florian","Redetermination of the crystal structure of caesium tetrafluoridobromate(III) from single-crystal X-ray diffraction data","IUCrData","2020","5","1","x200114","","10.1107/S2414314620001145","","","0.71073","MoKα","","0.0151","0.0119","","","0.0212","0.0217","","","","","","1.119","","","","has coordinates,has Fobs","247896","2020-10-21","18:00:00",""
"1557210","7.0481","0.0003","18.2185","0.0008","12.6391","0.0006","90","","104.947","0.004","90","","1568.02","0.12","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(4-Iodophenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","","- C19 H13 I O2 -","- C19 H13 I O2 -","- C76 H52 I4 O8 -","4","1","HB4334","Dean, Raven; Miller, Chelsea N.; Zingales, Sarah K.; Padgett, Clifford W.","3-(4-Iodophenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","IUCrData","2020","5","1","x200110","","10.1107/S2414314620001108","","","0.71073","MoKα","","0.0863","0.0451","","","0.0819","0.0962","","","","","","1.123","","","","has coordinates,has Fobs","247446","2020-10-21","18:00:00",""
"1557213","16.841","0.002","5.9463","0.0012","21.001","0.004","90","","96.31","0.013","90","","2090.3","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N -","- C29 H21 N -","- C116 H84 N4 -","4","1","","Li, Ye-Xin; Chen, You-Gui; Yu, Zhen-Feng; Yang, Xiao-Feng; Nie, Yong; Cui, Yu; Sun, Guo-Xin","Polymorph-Dependent Multicolor-Switchable Mechanofluorochromism of 1-(9-Anthryl)vinyl-3-(3-pyridyl)vinylbenzene: Molecular Conformation versus Intermolecular Interaction","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11180","","","1.54184","CuKα","","0.1752","0.0856","","","0.207","0.2621","","","","","","1.11","","","","has coordinates","247504","2020-10-21","18:00:00",""
"1557214","27.4933","0.0011","27.4933","0.0011","5.8624","0.0002","90","","90","","90","","4431.3","0.3","193","2","193","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C29 H21 N -","- C29 H21 N -","- C232 H168 N8 -","8","1","","Li, Ye-Xin; Chen, You-Gui; Yu, Zhen-Feng; Yang, Xiao-Feng; Nie, Yong; Cui, Yu; Sun, Guo-Xin","Polymorph-Dependent Multicolor-Switchable Mechanofluorochromism of 1-(9-Anthryl)vinyl-3-(3-pyridyl)vinylbenzene: Molecular Conformation versus Intermolecular Interaction","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11180","","","1.34139","GaKα","","0.0676","0.0515","","","0.1395","0.1539","","","","","","1.026","","","","has coordinates","247505","2020-10-21","18:00:00",""
"1557215","5.5332","0.001","11.857","0.002","31.179","0.006","90","","90.172","0.003","90","","2045.6","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N -","- C29 H21 N -","- C116 H84 N4 -","4","1","","Li, Ye-Xin; Chen, You-Gui; Yu, Zhen-Feng; Yang, Xiao-Feng; Nie, Yong; Cui, Yu; Sun, Guo-Xin","Polymorph-Dependent Multicolor-Switchable Mechanofluorochromism of 1-(9-Anthryl)vinyl-3-(3-pyridyl)vinylbenzene: Molecular Conformation versus Intermolecular Interaction","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11180","","","0.71073","MoKα","","0.0824","0.05","","","0.1423","0.1664","","","","","","1.025","","","","has coordinates","247506","2020-10-21","18:00:00",""
"1557220","10.331","0.0008","12.6786","0.001","24.3519","0.0019","90","","90","","90","","3189.7","0.4","90","2","90","2","","","","","","","","1","F d d d :2","-F 2uv 2vw","70","","","","- S8 -","- S8 -","- S128 -","16","0.5","","MIKURIYA, Masahiro; TANIGUCHI, Kazuki; KOYAMA, Yoshiki; WATANABE, Hiroaki; YOSHIOKA, Daisuke; MITSUHASHI, Ryoji; ASATO, Eiji","Crystal Structure of S<sub>8</sub> Molecule from Thiourea","X-ray Structure Analysis Online","2020","36","0","1","2","10.2116/xraystruct.36.1","","","0.71073","MoKα","","0.0261","0.022","","","0.0563","0.057","","","","","","1.057","","","","has coordinates","258170","2020-10-21","18:00:00",""
"1557221","32.77108","0.00017","30.00687","0.00016","40.3365","0.0002","90","","96.1279","0.0005","90","","39438.6","0.4","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C398.15 H435.65 B16 Co8 F64 N74.85 O39.35 -","- C361.56 H279.04 B9 Co8 F33 N72 O5.68 -","- C1446.24 H1116.16 B36 Co32 F132 N288 O22.72 -","4","0.5","","Mozaceanu,; Taylor,; Piper,; Argent,; Ward,","Catalysis of an Aldol Condensation Using a Coordination Cage","Chemistry","2020","2","1","22","32","10.3390/chemistry2010004","","","0.6889","Synchrotron","","0.1117","0.0651","","","0.2094","0.2292","","","","","","0.957","","","","has coordinates,has disorder","258178","2020-10-21","18:00:00",""
"1557222","5.6674","0.0005","10.9072","0.0012","14.5876","0.0011","90","","93.491","0.007","90","","900.07","0.14","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Cu N2 O4 -","- C20 H12 Cu N2 O4 -","- C40 H24 Cu2 N4 O8 -","2","0.5","","He, Tengjiao; Xiao, Yonghou; Zhao, Qidong; Zhou, Mengxue; He, Gaohong","Ultramicroporous Metal‒Organic Framework Qc-5-Cu for Highly Selective Adsorption of CO2 from C2H4 Stream","Industrial & Engineering Chemistry Research","2020","","","","","10.1021/acs.iecr.9b05665","powder diffraction","neutron","2.0774","","","","","","","","","0.09172","","1","","","","","","","has coordinates","247846","2020-10-21","18:00:00",""
"1557223","10.93","0.0004","14.2927","0.0006","19.2894","0.0008","70.366","0.003","86.491","0.003","73.206","0.003","2715","0.2","130","","130","","","","","","","","","9","P -1","-P 1","2","","","","- C55.6 H49 Br2 Cl2 Cu F6 N2 O1.9 P3 -","- C52 H40 Br2 Cl2 Cu F6 N2 O P3 -","- C104 H80 Br4 Cl4 Cu2 F12 N4 O2 P6 -","2","1","","Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands","Inorganics","2020","8","1","4","","10.3390/inorganics8010004","","x-ray","1.34143","GaKα","","0.0904","0.0858","","","0.2317","0.2384","","","","","","1.059","","","","has coordinates","247847","2020-10-21","18:00:00",""
"1557224","12.4032","0.0009","18.9805","0.0014","22.0591","0.0017","70.33","0.003","77.791","0.003","87.292","0.003","4777.9","0.6","130","","130","","","","","","","","","9","P -1","-P 1","2","","","","- C49 H36 Br2 Cl2 Cu F6 N2 O P3 -","- C48 H34 Br2 Cu F6 N2 O P3 -","- C192 H136 Br8 Cu4 F24 N8 O4 P12 -","4","2","","Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands","Inorganics","2020","8","1","4","","10.3390/inorganics8010004","","x-ray","1.54178","CuKα","","0.035","0.0327","","","0.0817","0.0834","","","","","","1.008","","","","has coordinates","247848","2020-10-21","18:00:00",""
"1557225","15.1949","0.001","18.5322","0.0012","18.5423","0.0013","107.867","0.002","104.444","0.002","101.088","0.002","4603.2","0.5","130","","130","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H39 Br2 Cu F6 N2 O1.5 P3 -","- C50 H39 Br2 Cu F6 N2 O1.5 P3 -","- C200 H156 Br8 Cu4 F24 N8 O6 P12 -","4","2","","Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands","Inorganics","2020","8","1","4","","10.3390/inorganics8010004","","x-ray","1.54178","CuKα","","0.0389","0.0369","","","0.0952","0.0971","","","","","","1.028","","","","has coordinates","247849","2020-10-21","18:00:00",""
"1557226","10.1768","0.0008","13.7504","0.0011","20.1505","0.0016","90.204","0.002","98.12","0.002","99.535","0.002","2751.9","0.4","130","","130","","","","","","","","","9","P -1","-P 1","2","","","","- C54.9 H47.2 Br2 Cl2.2 Cu F6 N2 O1.7 P3 -","- C54.9 H47.2 Br2 Cl2.2 Cu F6 N2 O1.7 P3 -","- C109.8 H94.4 Br4 Cl4.4 Cu2 F12 N4 O3.4 P6 -","2","1","","Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands","Inorganics","2020","8","1","4","","10.3390/inorganics8010004","","x-ray","1.54178","CuKα","","0.0391","0.0382","","","0.1093","0.1101","","","","","","1.073","","","","has coordinates,has disorder","247850","2020-10-21","18:00:00",""
"1557227","33.3182","0.0016","14.105","0.0006","11.8205","0.0005","90","","102.059","0.004","90","","5432.5","0.4","130","","130","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C52.1 H40.2 Br2 Cl2.2 Cu F6 N2 O P3 -","- C51 H38 Br2 Cu F6 N2 O P3 -","- C204 H152 Br8 Cu4 F24 N8 O4 P12 -","4","0.5","","Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands","Inorganics","2020","8","1","4","","10.3390/inorganics8010004","","x-ray","1.34143","GaKα","","0.0863","0.0728","","","0.1853","0.1973","","","","","","1.034","","","","has coordinates,has disorder","247851","2020-10-21","18:00:00",""
"1557228","27.571","0.003","19.7599","0.0018","19.1951","0.0018","90","","90","","90","","10457.5","1.8","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C101 H48 F40 N12 Ni O7 -","- C101 H48 F40 N12 Ni O7 -","- C404 H192 F160 N48 Ni4 O28 -","4","1","","Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion","Chemical Science","2020","11","10","2790","2795","10.1039/C9SC06197E","","","0.71075","MoKα","","0.0953","0.0551","","","0.1074","0.1184","","","","","","1.005","","","","has coordinates","257287","2020-10-21","18:00:00",""
"1557229","47.886","0.003","13.8742","0.0013","28.061","0.003","90","","119.602","0.002","90","","16210","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C89.5 H19 Cl Cu F40 N8 Ni O3 -","- C89.5 H19 Cl Cu F40 N8 Ni O3 -","- C716 H152 Cl8 Cu8 F320 N64 Ni8 O24 -","8","1","","Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion","Chemical Science","2020","11","10","2790","2795","10.1039/C9SC06197E","","","1.54187","CuKα","","0.2124","0.0782","","","0.1032","0.1598","","","","","","0.863","","","","has coordinates","257287","2020-10-21","18:00:00",""
"1557230","11.6188","0.0016","14.403","0.0011","26.7956","0.0017","82.937","0.006","77.65","0.008","70.954","0.009","4133.7","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H22 F40 N8 O3 -","- C89 H22 F40 N8 O3 -","- C178 H44 F80 N16 O6 -","2","1","","Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion","Chemical Science","2020","11","10","2790","2795","10.1039/C9SC06197E","","","1.54187","CuKα","","0.2486","0.1453","","","0.2787","0.3435","","","","","","1.019","","","","has coordinates","257287","2020-10-21","18:00:00",""
"1557231","14.057","0.002","14.08","0.002","24.646","0.004","92.257","0.003","101.581","0.002","108.23","0.002","4511.4","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C97 H32 F40 N12 Ni O3 -","- C97 H32 F40 N12 Ni O3 -","- C194 H64 F80 N24 Ni2 O6 -","2","1","","Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion","Chemical Science","2020","11","10","2790","2795","10.1039/C9SC06197E","","","0.71075","MoKα","","0.102","0.0744","","","0.2149","0.2485","","","","","","1.05","","","","has coordinates","257287","2020-10-21","18:00:00",""
"1557232","14.0363","0.0012","14.1385","0.0015","24.8547","0.0018","91.904","0.001","101.174","0.002","107.743","0.002","4586.3","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H18 Cu F40 N8 Ni O3 -","- C89 H18 Cu F40 N8 Ni O3 -","- C178 H36 Cu2 F80 N16 Ni2 O6 -","2","1","","Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion","Chemical Science","2020","11","10","2790","2795","10.1039/C9SC06197E","","","0.71075","MoKα","","0.1813","0.089","","","0.2021","0.2477","","","","","","0.92","","","","has coordinates","257287","2020-10-21","18:00:00",""
"1557233","6.689","0.003","6.689","0.003","17.403","0.006","90","","90","","120","","674.3","0.5","293","2","293","2","","","","","","","","2","P 32 2 1","P 32 2""","154","","","eliopoulosite","- S8 V7 -","- S8 V7.015 -","- S24 V21.045 -","3","0.5","","Bindi,; Zaccarini,; Ifandi,; Tsikouras,; Stanley,; Garuti,; Mauro,","Grammatikopoulosite, NiVP, a New Phosphide from the Chromitite of the Othrys Ophiolite, Greece","Minerals","2020","10","2","131","","10.3390/min10020131","","","0.71073","MoKα","","0.0537","0.0363","","","0.1681","0.1741","","","","","","0.924","","","","has coordinates","247874","2020-10-21","18:00:00",""
"1557234","10.4398","0.0008","18.5854","0.0015","16.9617","0.0014","90","","94.354","0.003","90","","3281.5","0.5","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C61 H90 Au2 Cl2 F12 N2 P2 Sb2 -","- C61 H90 Au2 Cl2 F12 N2 P2 Sb2 -","- C122 H180 Au4 Cl4 F24 N4 P4 Sb4 -","2","0.5","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","","0.71073","MoKα","","0.0338","0.0257","","","0.0681","0.0718","","","","","","1.028","","","","has coordinates,has disorder","257289","2020-10-21","18:00:00",""
"1557235","10.9121","0.0011","17.7644","0.0018","19.509","0.002","90","","104.904","0.003","90","","3654.5","0.6","193","2","193","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C34 H50 Au Cl2 F6 N O P Sb -","- C34 H50 Au Cl2 F6 N O P Sb -","- C136 H200 Au4 Cl8 F24 N4 O4 P4 Sb4 -","4","1","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","","0.71073","MoKα","","0.0392","0.0302","","","0.0736","0.079","","","","","","1.046","","","","has coordinates","257289","2020-10-21","18:00:00",""
"1557236","14.8546","0.0012","12.2517","0.0009","20.5946","0.0016","90","","99.848","0.003","90","","3692.9","0.5","193","2","193","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C33 H48 Au Cl2 F6 N O2 P Sb -","- C33 H48 Au Cl2 F6 N O2 P Sb -","- C132 H192 Au4 Cl8 F24 N4 O8 P4 Sb4 -","4","2","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","","0.71073","MoKα","","0.0197","0.0192","","","0.0475","0.0478","","","","","","1.053","","","","has coordinates","257289","2020-10-21","18:00:00",""
"1557237","15.4212","0.0012","13.4652","0.0008","9.4134","0.0007","90","","102.515","0.004","90","","1908.2","0.2","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N4 O5 -","- C21 H20 N4 O5 -","- C84 H80 N16 O20 -","4","1","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","","0.71073","MoKα","","0.143","0.0611","","","0.1452","0.1833","","","","","","1.053","","","","has coordinates,has disorder","257289","2020-10-21","18:00:00",""
"1557238","10.0221","0.0004","13.3021","0.0005","14.7578","0.0006","90","","95.633","0.002","90","","1957.94","0.13","193","2","193","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C29 H36 Au B10 Cl2 F6 P2 Sb -","- C29 H36 Au B10 Cl2 F6 P2 Sb -","- C58 H72 Au2 B20 Cl4 F12 P4 Sb2 -","2","1","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","x-ray","1.54178","CuKα","","0.0325","0.0308","","","0.0755","0.0767","","","","","","1.036","","","","has coordinates","257289","2020-10-21","18:00:00",""
"1557239","10.7728","0.0007","11.143","0.0009","30.591","0.002","90","","98.974","0.005","90","","3627.2","0.4","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 Au F6 N2 O2 P Sb -","- C38 H47 Au F6 N2 O2 P Sb -","- C152 H188 Au4 F24 N8 O8 P4 Sb4 -","4","1","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","","0.71073","MoKα","","0.0529","0.0429","","","0.1024","0.1076","","","","","","1.079","","","","has coordinates,has disorder","257289","2020-10-21","18:00:00",""
"1557240","20.9331","0.0009","6.0827","0.0003","15.253","0.0011","90","","132.9","0.001","90","","1422.72","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Br4 Se -","- C10 H16 Br4 Se -","- C40 H64 Br16 Se4 -","4","0.5","","Potapov, Vladimir A.; Musalov, Maxim V.; Kurkutov, Evgeny O.; Yakimov, Vladimir A.; Khabibulina, Alfiya G.; Musalova, Maria V.; Amosova, Svetlana V.; Borodina, Tatyana N.; Albanov, Alexander I.","Remarkable Alkene-to-Alkene and Alkene-to-Alkyne Transfer Reactions of Selenium Dibromide and PhSeBr. Stereoselective Addition of Selenium Dihalides to Cycloalkenes.","Molecules (Basel, Switzerland)","2020","25","1","194","","10.3390/molecules25010194","","","0.71073","MoKα","","0.0216","0.0183","","","0.0395","0.0405","","","","","","1.103","","","","has coordinates","247876","2020-10-21","18:00:00",""
"1557241","20.6655","0.0016","6.0655","0.0005","14.7555","0.0019","90","","133.69","0.002","90","","1337.4","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Cl4 Se -","- C10 H16 Cl4 Se -","- C40 H64 Cl16 Se4 -","4","0.5","","Potapov, Vladimir A.; Musalov, Maxim V.; Kurkutov, Evgeny O.; Yakimov, Vladimir A.; Khabibulina, Alfiya G.; Musalova, Maria V.; Amosova, Svetlana V.; Borodina, Tatyana N.; Albanov, Alexander I.","Remarkable Alkene-to-Alkene and Alkene-to-Alkyne Transfer Reactions of Selenium Dibromide and PhSeBr. Stereoselective Addition of Selenium Dihalides to Cycloalkenes.","Molecules (Basel, Switzerland)","2020","25","1","194","","10.3390/molecules25010194","","","0.71073","MoKα","","0.0274","0.0266","","","0.0633","0.0637","","","","","","1.138","","","","has coordinates","247877","2020-10-21","18:00:00",""
"1557242","9.1273","0.0002","12.0439","0.0002","12.0526","0.0002","62.4993","0.0008","75.9211","0.001","79.9212","0.0009","1136.88","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 Co N2 O7 S -","- C23 H19 Co N2 O7 S -","- C46 H38 Co2 N4 O14 S2 -","2","1","","Chhetri, Pradhumna Mahat; Wu, Ming-Hao; Hsieh, Chou-Ting; Yang, Xiang-Kai; Wu, Chen-Ming; Yang, En-Che; Wang, Chih-Chieh; Chen, Jhy-Der","A Pair of Co<sup>II</sup> Supramolecular Isomers Based on Flexible Bis-Pyridyl-Bis-Amide and Angular Dicarboxylate Ligands.","Molecules (Basel, Switzerland)","2020","25","1","201","","10.3390/molecules25010201","","","0.71073","MoKα","","0.033","0.0293","","","0.0787","0.0815","","","","","","1.038","","","","has coordinates","247878","2020-10-21","18:00:00",""
"1557243","9.2206","0.0008","11.0642","0.001","13.345","0.0012","96.611","0.005","109.696","0.005","103.697","0.005","1216.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23.5 H22 Co N2 O8 S -","- C23.5 H21.5 Co N2 O8 S -","- C47 H43 Co2 N4 O16 S2 -","2","1","","Chhetri, Pradhumna Mahat; Wu, Ming-Hao; Hsieh, Chou-Ting; Yang, Xiang-Kai; Wu, Chen-Ming; Yang, En-Che; Wang, Chih-Chieh; Chen, Jhy-Der","A Pair of Co<sup>II</sup> Supramolecular Isomers Based on Flexible Bis-Pyridyl-Bis-Amide and Angular Dicarboxylate Ligands.","Molecules (Basel, Switzerland)","2020","25","1","201","","10.3390/molecules25010201","","","0.71073","MoKα","","0.0946","0.0573","","","0.1348","0.1531","","","","","","1.024","","","","has coordinates","247878","2020-10-21","18:00:00",""
"1557252","9.0627","0.0006","10.7595","0.0008","24.4636","0.0019","90","","100.599","0.003","90","","2344.7","0.3","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Chloro-2-[1-(4-ethylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]phenol","","- C29 H23 Cl N2 O -","- C29 H23 Cl N2 O -","- C116 H92 Cl4 N8 O4 -","4","1","ZL4037","Shraddha, K. N.; Devika, S.; Begum, Noor Shahina","4-Chloro-2-[1-(4-ethylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]phenol","IUCrData","2020","5","1","x191690","","10.1107/S2414314619016900","","","0.71073","MoKα","","0.0699","0.047","","","0.1087","0.1287","","","","","","1.029","","","","has coordinates,has Fobs","247886","2020-10-21","18:00:00",""
"1557253","28.768","0.009","11.456","0.004","18.185","0.006","90","","90","","90","","5993","3","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H99 Am Br3 O3 P3 -","- C54 H99 Am Br3 O3 P3 -","- C216 H396 Am4 Br12 O12 P12 -","4","1","","Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.","Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes","Chemical Science","2020","11","10","2770","2782","10.1039/C9SC05268B","","","0.71073","MoKα","","0.0606","0.0399","","","0.0787","0.0858","","","","","","1.081","","","","has coordinates","257288","2020-10-21","18:00:00",""
"1557254","28.7058","0.001","11.4228","0.0004","18.1359","0.0007","90","","90","","90","","5946.8","0.4","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H99 Br3 Nd O3 P3 -","- C54 H99 Br3 Nd O3 P3 -","- C216 H396 Br12 Nd4 O12 P12 -","4","1","","Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.","Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes","Chemical Science","2020","11","10","2770","2782","10.1039/C9SC05268B","","","0.71073","MoKα","","0.0608","0.0405","","","0.068","0.0777","","","","","","1.037","","","","has coordinates","257288","2020-10-21","18:00:00",""
"1557255","28.92","0.005","11.434","0.002","18.209","0.003","90","","90","","90","","6021.2","1.8","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H99 Br3 Ce O3 P3 -","- C54 H99 Br3 Ce O3 P3 -","- C216 H396 Br12 Ce4 O12 P12 -","4","1","","Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.","Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes","Chemical Science","2020","11","10","2770","2782","10.1039/C9SC05268B","","","0.71073","MoKα","","0.0499","0.0353","","","0.0663","0.0726","","","","","","1.057","","","","has coordinates","257288","2020-10-21","18:00:00",""
"1557256","28.879","0.0016","11.4223","0.0007","18.2083","0.001","90","","90","","90","","6006.3","0.6","130","2","130","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H99 Br3 La O3 P3 -","- C54 H99 Br3 La O3 P3 -","- C216 H396 Br12 La4 O12 P12 -","4","1","","Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.","Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes","Chemical Science","2020","11","10","2770","2782","10.1039/C9SC05268B","","","0.71073","MoKα","","0.051","0.0348","","","0.0566","0.062","","","","","","1.093","","","","has coordinates","257288","2020-10-21","18:00:00",""
"1557257","28.7155","0.0012","11.4126","0.0004","18.1299","0.0008","90","","90","","90","","5941.5","0.4","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H99 Br3 O3 P3 Pr -","- C54 H99 Br3 O3 P3 Pr -","- C216 H396 Br12 O12 P12 Pr4 -","4","1","","Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.","Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes","Chemical Science","2020","11","10","2770","2782","10.1039/C9SC05268B","","","0.71073","MoKα","","0.0481","0.0317","","","0.0556","0.0617","","","","","","1.055","","","","has coordinates","257288","2020-10-21","18:00:00",""
"1557262","6.512","0.0002","15.336","0.0003","8.7541","0.0002","90","","111.502","0.003","90","","813.41","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 F O2 -","- C21 H21 F O2 -","- C42 H42 F2 O4 -","2","1","","Groves, Alistair; Sun, Jinwei; Parke, Hal R. I.; Callingham, Michael; Argent, Stephen P.; Taylor, Laurence J.; Lam, Hon Wai","Catalytic enantioselective arylative cyclizations of alkynyl 1,3-diketones by 1,4-rhodium(i) migration","Chemical Science","2020","11","10","2759","2764","10.1039/C9SC06309A","","x-ray","1.54184","CuKα","","0.0283","0.0283","","","0.0735","0.0735","","","","","","1.09","","","","has coordinates","257292","2020-10-21","18:00:00",""
"1557263","9.5439","0.0002","10.5734","0.0002","17.3218","0.0003","90","","90","","90","","1747.97","0.06","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C88 H88 O8 -","4","1","","Groves, Alistair; Sun, Jinwei; Parke, Hal R. I.; Callingham, Michael; Argent, Stephen P.; Taylor, Laurence J.; Lam, Hon Wai","Catalytic enantioselective arylative cyclizations of alkynyl 1,3-diketones by 1,4-rhodium(i) migration","Chemical Science","2020","11","10","2759","2764","10.1039/C9SC06309A","","x-ray","1.54184","CuKα","","0.0511","0.0499","","","0.1346","0.1384","","","","","","1.132","","","","has coordinates","257292","2020-10-21","18:00:00",""
"1557264","8.8341","0.0004","24.3932","0.0009","11.6111","0.0005","90","","108.086","0.002","90","","2378.47","0.17","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Hydronium bis(trifluoromethanesulfonyl)amide‒18-crown-6 (1/1)","","- C14 H27 F6 N O11 S2 -","- C14 H27 F6 N O11 S2 -","- C56 H108 F24 N4 O44 S8 -","4","2","IS4042","Kitada, Atsushi; Funasako, Yusuke; Matsumoto, Kazuhiko; Hagiwara, Rika; Inokuchi, Makoto; Fukami, Kazuhiro; Murase, Kuniaki","Hydronium bis(trifluoromethanesulfonyl)amide‒18-crown-6 (1/1)","IUCrData","2020","5","2","x200162","","10.1107/S2414314620001625","","","0.71073","MoKα","","0.064","0.0624","","","0.161","0.162","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","247947","2020-10-21","18:00:00",""
"1557268","9.6678","0.0005","12.9865","0.0006","14.6942","0.0007","64.386","0.005","71.962","0.004","85.754","0.004","1577.95","0.16","110.5","0.6","110.5","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Cl2 N5 O6 -","- C33 H30 Cl2 N5 O6 -","- C66 H60 Cl4 N10 O12 -","2","1","","Martin, Flavia; Pop, Mihaela; Kacso, Irina; Grosu, Ioana Georgeta; Miclaus, Maria; Vodnar, Dan; Lung, Ildiko; Filip, Gabriela Adriana; Olteanu, Elena Diana; Moldovan, Remus; Nagy, Andras; Filip, Xenia; Baldea, Ioana","Ketoconazole - p-aminobenzoic acid cocrystal: revival of an old drug by crystal engineering.","Molecular pharmaceutics","2020","","","","","10.1021/acs.molpharmaceut.9b01178","","","1.54184","CuKα","","0.0626","0.0576","","","0.1411","0.1448","","","","","","1.065","","","","has coordinates,has disorder","247963","2020-10-21","18:00:00",""
"1557269","9.7532","0.0004","13.0997","0.0006","14.7094","0.0007","65.035","0.005","72.196","0.004","84.857","0.004","1620.45","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Cl2 N5 O6 -","- C33 H30 Cl2 N5 O6 -","- C66 H60 Cl4 N10 O12 -","2","1","","Martin, Flavia; Pop, Mihaela; Kacso, Irina; Grosu, Ioana Georgeta; Miclaus, Maria; Vodnar, Dan; Lung, Ildiko; Filip, Gabriela Adriana; Olteanu, Elena Diana; Moldovan, Remus; Nagy, Andras; Filip, Xenia; Baldea, Ioana","Ketoconazole - p-aminobenzoic acid cocrystal: revival of an old drug by crystal engineering.","Molecular pharmaceutics","2020","","","","","10.1021/acs.molpharmaceut.9b01178","","","1.5418","CuKα","","0.0921","0.0712","","","0.2319","0.2489","","","","","","1.636","","","","has coordinates,has disorder","247964","2020-10-21","18:00:00",""
"1557270","16.5582","0.0003","8.7009","0.0001","16.729","0.0003","90","","111.858","0.002","90","","2236.9","0.07","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 Cl2 Co N3 O3 P -","- C17 H30 Cl2 Co N3 O3 P -","- C68 H120 Cl8 Co4 N12 O12 P4 -","4","1","","Xu, Yuechao; Zhao, Junyi; Gan, Qiao; Ying, Weilun; Hu, Zhonghan; Tang, Fuming; Luo, Wanwei; Luo, Yunjie; Jian, Zhongbao; Gong, Dirong","Synthesis and properties investigation of hydroxyl functionalized polyisoprene prepared by cobalt catalyzed co-polymerization of isoprene and hydroxylmyrcene","Polymer Chemistry","2020","11","12","2034","2043","10.1039/C9PY01808E","","x-ray","1.54184","CuKα","","0.0438","0.0354","","","0.0853","0.0881","","","","","","1.058","","","","has coordinates","257954","2020-10-21","18:00:00",""
"1557271","13.959","0.001","25.347","0.002","18.606","0.002","90","","109.574","0.002","90","","6202.7","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C108 H154 N18 O27 -","- C108 H154 N18 O27 -","- C216 H308 N36 O54 -","2","1","","Zhou, Bin; Shetye, Gauri; Yu, Yang; Santarsiero, Bernard D.; Klein, Larry L.; Abad-Zapatero, Cele; Wolf, Nina M.; Cheng, Jinhua; Jin, Yingyu; Lee, Hanki; Suh, Joo-Won; Lee, Hyun; Bisson, Jonathan; McAlpine, James B.; Chen, Shao-Nong; Cho, Sang-Hyun; Franzblau, Scott G.; Pauli, Guido F.","Antimycobacterial Rufomycin Analogues from <i>Streptomyces atratus</i> Strain MJM3502.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b01095","","","0.68877","synchrotron","","0.1246","0.1163","","","0.3449","0.3632","","","","","","1.634","","","","has coordinates,has disorder","247985","2020-10-21","18:00:00",""
"1557272","8.505","0.0003","9.1711","0.0004","10.7701","0.0004","100.159","0.001","99.818","0.001","90.932","0.001","813.86","0.05","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C35 H40 O12 -","- C35 H40 O12 -","- C35 H40 O12 -","1","1","","Fu, Yifan; Zhao, Weimin","Polyesterified Sesquiterpenoids from the Seeds of <i>Celastrus paniculatus</i> as Lifespan-Extending Agents for the Nematode <i>Caenorhabditis elegans</i>.","Journal of natural products","2020","83","2","505","515","10.1021/acs.jnatprod.9b01199","","","1.54178","CuKα","","0.0409","0.0407","","","0.1084","0.1087","","","","","","1.064","","","","has coordinates","248714","2020-10-21","18:00:00",""
"1557278","12.3206","0.0004","27.4776","0.0009","17.5732","0.0006","90","","104.527","0.0014","90","","5759","0.3","240","2","240","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H68 D3 Eu N2 O6 -","- C55 H68 D3 Eu N2 O6 -","- C220 H272 D12 Eu4 N8 O24 -","4","1","","Fishman, Natalya N.; Lukzen, Nikita N.; Ivanov, Konstantin L.; Edeleva, Mariya V.; Fokin, Sergey V.; Romanenko, Galina V.; Ovcharenko, Victor I.","Multifrequency NMR as an Efficient Tool to Investigate Heterospin Complexes in Solutions.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.9b11104","","","1.54178","CuKα","","0.0557","0.0495","","","0.1331","0.139","","","","","","1.057","","","","has coordinates","248011","2020-10-21","18:00:00",""
"1557279","16.4862","0.0008","10.4198","0.0005","18.1346","0.0009","90","","111.576","0.006","90","","2896.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Dy N9 O9 -","- C24 H20 Dy N9 O9 -","- C96 H80 Dy4 N36 O36 -","4","1","","Wang, Hui-Feng; Ma, Xiong-Feng; Zhu, Zhong-Hong; Zou, Hua-Hong; Liang, Fu-Pei","Regulation of the Metal Center and Coordinating Anion of Mononuclear Ln(III) Complexes to Promote an Efficient Luminescence Response to Various Organic Solvents","Langmuir","2020","","","","","10.1021/acs.langmuir.9b02990","","x-ray","0.71073","MoKα","","0.1169","0.0692","","","0.166","0.2035","","","","","","1.019","","","","has coordinates","248012","2020-10-21","18:00:00",""
"1557280","12.249","0.005","10.064","0.004","26.264","0.011","90","","90.684","0.009","90","","3237","2","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 Dy N10 O6 S -","- C27 H29 Dy N10 O6 S -","- C108 H116 Dy4 N40 O24 S4 -","4","1","","Wang, Hui-Feng; Ma, Xiong-Feng; Zhu, Zhong-Hong; Zou, Hua-Hong; Liang, Fu-Pei","Regulation of the Metal Center and Coordinating Anion of Mononuclear Ln(III) Complexes to Promote an Efficient Luminescence Response to Various Organic Solvents","Langmuir","2020","","","","","10.1021/acs.langmuir.9b02990","","","0.71073","MoKα","","0.1807","0.0699","","","0.1479","0.1972","","","","","","0.979","","","","has coordinates","248012","2020-10-21","18:00:00",""
"1557281","16.8934","0.0008","10.4286","0.0004","17.9567","0.001","90","","110.828","0.006","90","","2956.8","0.3","298.94","0.1","298.94","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16.5 Eu N9 O9 -","- C24 H16.5 Eu N9 O9 -","- C96 H66 Eu4 N36 O36 -","4","1","","Wang, Hui-Feng; Ma, Xiong-Feng; Zhu, Zhong-Hong; Zou, Hua-Hong; Liang, Fu-Pei","Regulation of the Metal Center and Coordinating Anion of Mononuclear Ln(III) Complexes to Promote an Efficient Luminescence Response to Various Organic Solvents","Langmuir","2020","","","","","10.1021/acs.langmuir.9b02990","","x-ray","0.71073","MoKα","","0.0753","0.0554","","","0.1521","0.1653","","","","","","1.042","","","","has coordinates","248012","2020-10-21","18:00:00",""
"1557282","16.6874","0.0006","10.4401","0.0003","18.036","0.0008","90","","111.134","0.005","90","","2930.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N9 O9 Tb -","- C24 H21 N9 O9 Tb -","- C96 H84 N36 O36 Tb4 -","4","1","","Wang, Hui-Feng; Ma, Xiong-Feng; Zhu, Zhong-Hong; Zou, Hua-Hong; Liang, Fu-Pei","Regulation of the Metal Center and Coordinating Anion of Mononuclear Ln(III) Complexes to Promote an Efficient Luminescence Response to Various Organic Solvents","Langmuir","2020","","","","","10.1021/acs.langmuir.9b02990","","x-ray","0.71073","MoKα","","0.0781","0.0484","","","0.1154","0.1355","","","","","","1.024","","","","has coordinates","248012","2020-10-21","18:00:00",""
"1557283","6.6601","0.0004","7.4588","0.0004","23.5097","0.0015","94.931","0.005","90.774","0.005","105.499","0.005","1120.43","0.12","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H30 N4 O3 -","- C25 H30 N4 O3 -","- C50 H60 N8 O6 -","2","1","","Shi, Xiujuan; Yan, Neng; Niu, Guangle; Sung, Simon H. P.; Liu, Zhiyang; Liu, Junkai; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Wang, Wen-Xiong; Sung, Herman H.-Y.; Williams, Ian D.; Tang, Ben Zhong","In vivo monitoring of tissue regeneration using a ratiometric lysosomal AIE probe","Chemical Science","2020","11","12","3152","3163","10.1039/C9SC06226B","","x-ray","1.54184","CuKα","","0.0532","0.0394","","","0.0926","0.0981","","","","","","1.008","","","","has coordinates","257414","2020-10-21","18:00:00",""
"1557284","24.8686","0.0019","23.1581","0.0019","17.7369","0.0015","90","","98.907","0.003","90","","10091.7","1.4","299","2","299.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H44 Mn4 N12 O52 Si W12 -","- C60 H44 Mn4 N12 O52 Si W12 -","- C240 H176 Mn16 N48 O208 Si4 W48 -","4","0.5","","Du, Jing; Lang, Zhong-Ling; Ma, Yuan-Yuan; Tan, Hua-Qiao; Liu, Bai-Ling; Wang, Yong-Hui; Kang, Zhen-Hui; Li, Yang-Guang","Polyoxometalate-based electron transfer modulation for efficient electrocatalytic carbon dioxide reduction","Chemical Science","2020","11","11","3007","3015","10.1039/C9SC05392A","","","0.71073","MoKα","","0.0932","0.0548","","","0.1144","0.1432","","","","","","1.163","","","","has coordinates,has disorder","257404","2020-10-21","18:00:00",""
"1557285","13.034","0.0006","15.6737","0.0006","20.2719","0.0009","79.875","0.002","88.908","0.002","87.011","0.002","4071.1","0.3","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H39 Mn3 Mo12 N11 O49 P -","- C49 H39 Mn3 Mo12 N11 O49 P -","- C98 H78 Mn6 Mo24 N22 O98 P2 -","2","1","","Du, Jing; Lang, Zhong-Ling; Ma, Yuan-Yuan; Tan, Hua-Qiao; Liu, Bai-Ling; Wang, Yong-Hui; Kang, Zhen-Hui; Li, Yang-Guang","Polyoxometalate-based electron transfer modulation for efficient electrocatalytic carbon dioxide reduction","Chemical Science","2020","11","11","3007","3015","10.1039/C9SC05392A","","","0.71073","MoKα","","0.0955","0.0481","","","0.0871","0.107","","","","","","1.031","","","","has coordinates","257404","2020-10-21","18:00:00",""
"1557286","13.0328","0.0005","15.6142","0.0005","20.1424","0.0007","79.88","0.001","89.029","0.002","86.775","0.002","4028.6","0.2","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H39 Mn3 N11 O49 P W12 -","- C49 H39 Mn3 N11 O49 P W12 -","- C98 H78 Mn6 N22 O98 P2 W24 -","2","1","","Du, Jing; Lang, Zhong-Ling; Ma, Yuan-Yuan; Tan, Hua-Qiao; Liu, Bai-Ling; Wang, Yong-Hui; Kang, Zhen-Hui; Li, Yang-Guang","Polyoxometalate-based electron transfer modulation for efficient electrocatalytic carbon dioxide reduction","Chemical Science","2020","11","11","3007","3015","10.1039/C9SC05392A","","","0.71073","MoKα","","0.0572","0.0395","","","0.0919","0.1033","","","","","","1.041","","","","has coordinates,has disorder","257404","2020-10-21","18:00:00",""
"1557287","9.0919","0.0005","9.9836","0.0005","11.7719","0.0005","90","","95.822","0.005","90","","1063.02","0.09","296.6","0.3","296.6","0.3","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C50 H44 N4 O6 -","2","1","","Zhang, Xiang; Li, Xiang; Li, Jun-Long; Wang, Qi-Wei; Zou, Wen-Lin; Liu, Yan-Qing; Jia, Zhi-Qiang; Peng, Fu; Han, Bo","Regiodivergent construction of medium-sized heterocycles from vinylethylene carbonates and allylidenemalononitriles","Chemical Science","2020","11","11","2888","2894","10.1039/C9SC06377C","","x-ray","1.54184","CuKα","","0.0573","0.0549","","","0.1433","0.1472","","","","","","1.042","","","","has coordinates","257408","2020-10-21","18:00:00",""
"1557288","9.6576","0.0005","13.2796","0.0009","17.3578","0.001","90","","99.745","0.005","90","","2194","0.2","295.4","0.4","295.4","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C100 H88 N8 O12 -","4","1","","Zhang, Xiang; Li, Xiang; Li, Jun-Long; Wang, Qi-Wei; Zou, Wen-Lin; Liu, Yan-Qing; Jia, Zhi-Qiang; Peng, Fu; Han, Bo","Regiodivergent construction of medium-sized heterocycles from vinylethylene carbonates and allylidenemalononitriles","Chemical Science","2020","11","11","2888","2894","10.1039/C9SC06377C","","x-ray","1.54184","CuKα","","0.0752","0.0608","","","0.1748","0.194","","","","","","1.044","","","","has coordinates","257408","2020-10-21","18:00:00",""
"1557289","7.8691","0.0009","9.8641","0.0008","13.184","0.0009","87.285","0.006","85.531","0.008","74.852","0.009","984.41","0.16","225","100","225","100","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 N2 O3 -","- C25 H21 N2 O3 -","- C50 H42 N4 O6 -","2","1","","Zhang, Xiang; Li, Xiang; Li, Jun-Long; Wang, Qi-Wei; Zou, Wen-Lin; Liu, Yan-Qing; Jia, Zhi-Qiang; Peng, Fu; Han, Bo","Regiodivergent construction of medium-sized heterocycles from vinylethylene carbonates and allylidenemalononitriles","Chemical Science","2020","11","11","2888","2894","10.1039/C9SC06377C","","x-ray","1.54184","CuKα","","0.0877","0.0793","","","0.2132","0.2314","","","","","","1.04","","","","has coordinates,has disorder","257408","2020-10-21","18:00:00",""
"1557290","11.2724","0.0005","6.279","0.0004","12.5272","0.0007","90","","90","","90","","886.67","0.08","160","1","160","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-chlorotetrazine","","- C2 H Cl N4 -","- C2 H Cl N4 -","- C16 H8 Cl8 N32 -","8","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","1.54184","CuKα","","0.0285","0.0281","","","0.0768","0.0772","","","","","","1.096","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557291","10.7358","0.0003","5.14454","0.00012","14.9437","0.0004","90","","105.056","0.003","90","","797.02","0.04","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-phenoxy-s-tetrazine","","- C8 H6 N4 O -","- C8 H6 N4 O -","- C32 H24 N16 O4 -","4","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","0.71073","MoKα","","0.0445","0.0345","","","0.0801","0.0868","","","","","","1.048","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557292","38.7645","0.0003","11.93147","0.00014","7.70847","0.00008","90","","90","","90","","3565.3","0.06","160","2","160","2","","","","","","","","3","F d d 2","F 2 -2d","43","","1-(S-tetrazin-3-yl)-1H-indole","","- C10 H7 N5 -","- C10 H7 N5 -","- C160 H112 N80 -","16","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","1.54184","CuKα","","0.023","0.0228","","","0.0607","0.0608","","","","","","1.072","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557293","17.7417","0.0003","6.22991","0.00009","23.2377","0.0003","90","","93.9389","0.0013","90","","2562.38","0.07","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(2-((3-nitropyridin-2-yl)disulfaneyl)ethyl)-1,2,4,5-tetrazin-3-amine","","- C9 H9 N7 O2 S2 -","- C9 H9 N7 O2 S2 -","- C72 H72 N56 O16 S16 -","8","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","0.71073","MoKα","","0.0309","0.0266","","","0.0674","0.0704","","","","","","1.06","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557294","12.7468","0.0005","5.60166","0.00019","12.9507","0.0004","90","","90","","90","","924.72","0.06","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-bromotetrazine","","- C2 H Br N4 -","- C2 H Br N4 -","- C16 H8 Br8 N32 -","8","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","1.54184","CuKα","","0.0189","0.0185","","","0.0512","0.0516","","","","","","1.101","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557295","32.663","0.002","5.161","0.0002","11.0162","0.0006","90","","94.704","0.005","90","","1850.79","0.17","160","2","160","2","","","","","","","","4","C 1 2 1","C 2y","5","","Boc-Tyr(Tet)-OMe","","- C17 H21 N5 O5 -","- C17 H21 N5 O5 -","- C68 H84 N20 O20 -","4","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","1.54184","CuKα","","0.0664","0.0541","","","0.1433","0.1556","","","","","","1.039","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557296","9.6414","0.0005","13.3432","0.0007","19.6279","0.001","90","","95.4683","0.0019","90","","2513.6","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","germa-aluminocene","","- C22 H39 Al Ge Si2 -","- C22 H39 Al Ge Si2 -","- C88 H156 Al4 Ge4 Si8 -","4","1","","Albers, Lena; Tholen, Patrik; Schmidtmann, Marc; Müller, Thomas","A germaaluminocene","Chemical Science","2020","11","11","2982","2986","10.1039/D0SC00401D","","","0.71073","MoKα","","0.0336","0.0284","","","0.0792","0.0825","","","","","","1.092","","","","has coordinates,has disorder","257403","2020-10-21","18:00:00",""
"1557297","11.2231","0.0013","8.1552","0.0009","11.9835","0.0014","90","","115.45","0.005","90","","990.4","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 N3 O5 -","- C23 H19 N3 O5 -","- C46 H38 N6 O10 -","2","1","","Warghude, Prakash K.; Sabale, Abhijeet S.; Bhat, Ramakrishna G.","Access to highly enantioselective and diastereoselective spirooxindole dihydrofuran fused pyrazolones.","Organic & biomolecular chemistry","2020","18","9","1794","1799","10.1039/d0ob00007h","","","1.54178","CuKα","","0.0421","0.0368","","","0.0889","0.0954","","","","","","1.071","","","","has coordinates","257911","2020-10-21","18:00:00",""
"1557298","7.7012","0.0002","7.7746","0.0002","12.6751","0.0004","90","","90","","90","","758.91","0.04","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang","A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence","Chemical Science","2020","11","11","2926","2933","10.1039/C9SC06518K","","","1.54178","CuKα","","0.0287","0.0283","","","0.0804","0.081","","","","","","1.046","","","","has coordinates","257406","2020-10-21","18:00:00",""
"1557299","6.0826","0.0012","6.0826","0.0012","8.792","0.002","90","","90","","90","","325.29","0.12","298","2","298","2","","","","","","","","3","I -4","I -4","82","","","","- C5 H12 O4 -","- C5 H12 O4 -","- C10 H24 O8 -","2","0.25","","Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang","A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence","Chemical Science","2020","11","11","2926","2933","10.1039/C9SC06518K","","","1.54178","CuKα","","0.0354","0.0297","","","0.0801","0.0836","","","","","","1.024","","","","has coordinates","257406","2020-10-21","18:00:00",""
"1557300","5.6107","0.0001","9.1858","0.0002","12.5998","0.0003","90","","90","","90","","649.38","0.02","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 O5 -","- C5 H10 O5 -","- C20 H40 O20 -","4","1","","Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang","A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence","Chemical Science","2020","11","11","2926","2933","10.1039/C9SC06518K","","","1.54178","CuKα","","0.0308","0.0302","","","0.1027","0.1031","","","","","","0.994","","","","has coordinates","257406","2020-10-21","18:00:00",""
"1557301","8.091","0.002","9.212","0.002","10.056","0.002","90","","90","","90","","749.5","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang","A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence","Chemical Science","2020","11","11","2926","2933","10.1039/C9SC06518K","","","1.54178","CuKα","","0.0714","0.0656","","","0.1799","0.1864","","","","","","1.327","","","","has coordinates","257406","2020-10-21","18:00:00",""
"1557302","8.7438","0.0001","18.7561","0.0002","20.8005","0.0002","90","","90","","90","","3411.27","0.06","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Methyl-4-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C160 H144 N32 O16 -","8","1","WM4125","Powell, Gregory L.; Rix, Brad A.","5-Methyl-4-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","IUCrData","2020","5","2","x200121","","10.1107/S2414314620001212","","x-ray","1.54184","CuKα","","0.0455","0.0418","","","0.1086","0.1131","","","","","","1.042","","","","has coordinates,has Fobs","248070","2020-10-21","18:00:00",""
"1557303","9.1617","0.0009","19.233","0.003","13.0065","0.0013","90","","91.136","0.008","90","","2291.4","0.5","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dicaesium tetramagnesium pentakis(carbonate) decahydrate","","- C5 H20 Cs2 Mg4 O25 -","- C5 H20 Cs2 Mg4 O25 -","- C20 H80 Cs8 Mg16 O100 -","4","1","WM4122","Rincke, Christine; Schmidt, Horst; Voigt, Wolfgang","Dicaesium tetramagnesium pentakis(carbonate) decahydrate, Cs2Mg4(CO3)5·10H2O","IUCrData","2020","5","2","","","10.1107/S2414314620001650","","","0.71073","MoKα","","0.0895","0.0731","","","0.2175","0.2742","","","","","","1.221","","","","has coordinates,has Fobs","248071","2020-10-21","18:00:00",""
"1557304","4.1658","0.0002","10.4706","0.0006","12.7624","0.0007","90","","95.958","0.002","90","","553.67","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,2'-[Methylenebis(sulfanediyl)]bis(pyridine 1-oxide)","","- C11 H10 N2 O2 S2 -","- C11 H10 N2 O2 S2 -","- C22 H20 N4 O4 S4 -","2","1","BV4026","Siegel, David J.; Howarth, Alexis N.; Traver, Joseph R.; Hillesheim, Patrick C.; Zeller, Matthias; Mirjafari, Arsalan","2,2'-[Methylenebis(sulfanediyl)]bis(pyridine 1-oxide)","IUCrData","2020","5","2","x200171","","10.1107/S2414314620001716","","","0.71073","MoKα","","0.0492","0.0409","","","0.0949","0.1002","","","","","","1.06","","","","has coordinates,has Fobs","248072","2020-10-21","18:00:00",""
"1557305","11.076","0.002","11.076","0.002","16.478","0.003","90","","90","","90","","2021.5","0.6","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","(3<i>S</i>,5<i>R</i>,6<i>S</i>)-Diphenylmethyl 1-oxo-6-bromopenicillanate","","- C21 H20 Br N O4 S -","- C21 H20 Br N O4 S -","- C84 H80 Br4 N4 O16 S4 -","4","1","IS4040","Soundararajan, Krishnan; Sethuraman, Velusamy; Thanigaimani, Kaliyaperumal","(3<i>S</i>,5<i>R</i>,6<i>S</i>)-Diphenylmethyl 1-oxo-6-bromopenicillanate","IUCrData","2020","5","2","x200143","","10.1107/S2414314620001431","","","0.71073","MoKα","","0.0828","0.0328","","","0.0685","0.0834","","","","","","0.886","","","","has coordinates,has Fobs","248073","2020-10-21","18:00:00",""
"1557306","5.5457","0.0006","9.1108","0.001","43.511","0.006","90","","90.376","0.005","90","","2198.4","0.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(Octadecylsulfanyl)-1,3-thiazole","","- C21 H39 N S2 -","- C21 H39 N S2 -","- C84 H156 N4 S8 -","4","2","BV4027","Muller II, Joseph E.; Osborn, Laura R.; Traver, Joseph R.; Hillesheim, Patrick C.; Zeller, Matthias; Mirjafari, Arsalan","2-(Octadecylsulfanyl)-1,3-thiazole","IUCrData","2020","5","2","x200170","","10.1107/S2414314620001704","","","1.54178","CuKα","","0.1015","0.0967","","","0.2546","0.263","","","","","","1.048","","","","has coordinates,has Fobs","248074","2020-10-21","18:00:00",""
"1557311","18.071","0.0004","9.5329","0.0002","17.7642","0.0005","90","","99.613","0.003","90","","3017.25","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl5 O2 -","- C12 H13 Cl5 O2 -","- C96 H104 Cl40 O16 -","8","2","","Steinbiss, Michael; Maczka, Michael; Langewald, Juergen; London, Brecht; Vallinayagam, Ramakrishnan; Jones, Peter G.; Bastiaans, Harold; Schulz, Stefan","Sigillins from Springtails Are Potent Natural Insecticides.","Journal of natural products","2020","83","2","468","472","10.1021/acs.jnatprod.9b01013","","","0.71073","MoKα","","0.0433","0.0348","","","0.0729","0.0763","","","","","","1.06","","","","has coordinates","248713","2020-10-21","18:00:00",""
"1557312","8.98338","0.00013","8.98338","0.00013","20.8299","0.0007","90","","90","","90","","1681","0.07","100","2","100","2","","","","","","","","4","P 41","P 4w","76","Sigillin F","","","- C12 H14 Cl6 O5 -","- C12 H14 Cl6 O5 -","- C48 H56 Cl24 O20 -","4","1","","Steinbiss, Michael; Maczka, Michael; Langewald, Juergen; London, Brecht; Vallinayagam, Ramakrishnan; Jones, Peter G.; Bastiaans, Harold; Schulz, Stefan","Sigillins from Springtails Are Potent Natural Insecticides.","Journal of natural products","2020","83","2","468","472","10.1021/acs.jnatprod.9b01013","","","1.54184","CuKα","","0.0247","0.0227","","","0.0509","0.052","","","","","","1.064","","","","has coordinates","248713","2020-10-21","18:00:00",""
"1557313","10.5518","0.0003","16.1297","0.0005","17.0893","0.0005","90","","90","","90","","2908.55","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 O5 -","- C30 H44 O5 -","- C120 H176 O20 -","4","1","","Ye, Yan-Song; Li, Wen-Yan; Du, Shu-Zong; Yang, Jian; Nian, Yin; Xu, Gang","Congenetic hybrids derived from dearomatized isoprenylated acylphloroglucinol with opposite effects on Ca<sub>v</sub>3.1 low voltage-gated Ca<sup>2+</sup> channel.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b02056","","","1.54178","CuKα","","0.0305","0.0302","","","0.0784","0.0787","","","","","","1.07","","","","has coordinates","248138","2020-10-21","18:00:00",""
"1557314","9.4737","0.0002","15.6173","0.0003","18.4421","0.0004","90","","90","","90","","2728.58","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 O4 -","- C33 H40 O4 -","- C132 H160 O16 -","4","1","","Ye, Yan-Song; Li, Wen-Yan; Du, Shu-Zong; Yang, Jian; Nian, Yin; Xu, Gang","Congenetic hybrids derived from dearomatized isoprenylated acylphloroglucinol with opposite effects on Ca<sub>v</sub>3.1 low voltage-gated Ca<sup>2+</sup> channel.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b02056","","","1.54178","CuKα","","0.0291","0.0291","","","0.0754","0.0754","","","","","","1.07","","","","has coordinates","248139","2020-10-21","18:00:00",""
"1557315","11.9451","0.0005","11.9286","0.0004","16.2807","0.0007","90","","101.179","0.004","90","","2275.79","0.16","223","2","223","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C6 H12 F N0.5 Na0.5 O5 S2.5 -","- C6 H12 F N0.5 Na0.5 O5 S2.5 -","- C48 H96 F8 N4 Na4 O40 S20 -","8","1","","Okamoto, Yukihiro; Tsuzuki, Seiji; Tatara, Ryoichi; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","High Transference Number of Na Ion in Liquid-State Sulfolane Solvates of Sodium Bis(fluorosulfonyl)amide","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11458","","","0.71073","MoKα","","0.0427","0.0392","","","0.1097","0.1128","","","","","","1.084","","","","has coordinates","248142","2020-10-21","18:00:00",""
"1557320","9.6598","0.0004","7.4249","0.0003","11.2457","0.0006","90","","109.745","0.005","90","","759.15","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","5-Nitro-2,3-bis(thien-2-yl)quinoxaline","5-Nitro-2,3-bis(thiophen-2-yl)quinoxaline","","- C16 H9 N3 O2 S2 -","- C16 H9 N3 O2 S2 -","- C32 H18 N6 O4 S4 -","2","1","FF4033","de Freitas, Jorge F.; Brown, Shayne; Oberndorfer, James S.; Crundwell, Guy","5-Nitro-2,3-bis(thiophen-2-yl)quinoxaline","IUCrData","2020","5","2","x200196","","10.1107/S2414314620001960","","","0.71073","MoKα","","0.0777","0.0377","","","0.0696","0.0764","","","","","","0.807","","","","has coordinates","248211","2020-10-21","18:00:00",""
"1557321","11.7649","0.0004","5.3386","0.0002","24.3536","0.0008","90","","105.61","0.003","90","","1473.18","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-Nitro-2,3-bis(thien-2-yl)quinoxaline","6-Nitro-2,3-bis(thiophen-2-yl)quinoxaline","","- C16 H9 N3 O2 S2 -","- C16 H9 N3 O2 S2 -","- C64 H36 N12 O8 S8 -","4","1","FF4034","de Freitas, Jorge F.; Brown, Shayne; Oberndorfer, James S.; Crundwell, Guy","6-Nitro-2,3-bis(thiophen-2-yl)quinoxaline","IUCrData","2020","5","2","x200203","","10.1107/S2414314620002035","","","0.71073","MoKα","","0.0994","0.0624","","","0.1848","0.1988","","","","","","1.06","","","","has coordinates,has Fobs","248212","2020-10-21","18:00:00",""
"1557327","8.4484","0.0007","4.8581","0.0004","18.7404","0.0015","90","","94.79","0.008","90","","766.48","0.11","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Cu N2 O6 -","- C16 H16 Cu N2 O6 -","- C32 H32 Cu2 N4 O12 -","2","0.5","","Smellie, Iain A.; Abdelhamid, Yusra; Carpenter-Warren, Cameron L.; Cordes, David B.; Elliott, Clement; Lamorte, Sarah; Patterson, Iain L. J.; Sanders, William; Sandison, Iain P.; Slawin, Alexandra M. Z.; Stewart, Dominic M.; Walters, Samuel N.","A Simplified Extractive Metallurgy Exercise to Demonstrate Selective Extraction of Copper","Journal of Chemical Education","2020","","","","","10.1021/acs.jchemed.9b00996","","x-ray","0.71075","MoKα","","0.0438","0.0317","","","0.079","0.0843","","","","","","1.011","","","","has coordinates","248240","2020-10-21","18:00:00",""
"1557328","6.9821","0.0002","8.6527","0.0003","11.9259","0.0003","90","","105.761","0.001","90","","693.4","0.04","302","2","302","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C30 H32 N4 O8 -","2","1","","Benedetti, Françoise; Perrin, Marc-Antoine; Bosc, Sebastien; Chouteau, Franck; Champion, Nicolas; Bigot, Antony","Total Synthesis of (+)-Oxo-tomaymycin","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00009","","","0.71073","MoKα","","0.0372","0.0349","","","0.1016","0.1044","","","","","","1.061","","","","has coordinates","248246","2020-10-21","18:00:00",""
"1557329","10.6552","0.001","12.4511","0.0012","14.8269","0.0016","100.087","0.004","96.082","0.004","90.524","0.004","1925","0.3","125","2","125","2","","","","","","","","6","P -1","-P 1","2","1:1 rac-LA:L7AlOBn","","","- C37 H40 Al Cl2 N4 O5 -","- C37 H39.076 Al Cl2 N4 O5 -","- C74 H78.152 Al2 Cl4 N8 O10 -","2","1","","Luke, Anna M.; Peterson, Appie; Chiniforoush, Sina; Mandal, Mukunda; Popowski, Yanay; Sajjad, Hussnain; Bouchey, Caitlin J.; Shopov, Dimitar Y.; Graziano, Brendan J.; Yao, Letitia J.; Cramer, Christopher J.; Reineke, Theresa M.; Tolman, William B.","Mechanism of Initiation Stereocontrol in Polymerization of rac-Lactide by Aluminum Complexes Supported by Indolide‒Imine Ligands","Macromolecules","2020","","","","","10.1021/acs.macromol.0c00092","","","0.71073","MoKα","","0.079","0.0591","","","0.15","0.1614","","","","","","1.044","","","","has coordinates,has disorder","248264","2020-10-21","18:00:00",""
"1557330","12.393","0.002","20.309","0.004","11.565","0.002","90","","104.827","0.005","90","","2813.9","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H33 Al N4 O -","- C33.5 H33 Al N4 O -","- C134 H132 Al4 N16 O4 -","4","1","","Luke, Anna M.; Peterson, Appie; Chiniforoush, Sina; Mandal, Mukunda; Popowski, Yanay; Sajjad, Hussnain; Bouchey, Caitlin J.; Shopov, Dimitar Y.; Graziano, Brendan J.; Yao, Letitia J.; Cramer, Christopher J.; Reineke, Theresa M.; Tolman, William B.","Mechanism of Initiation Stereocontrol in Polymerization of rac-Lactide by Aluminum Complexes Supported by Indolide‒Imine Ligands","Macromolecules","2020","","","","","10.1021/acs.macromol.0c00092","","","0.71073","MoKα","","0.0765","0.0443","","","0.0931","0.1059","","","","","","1.019","","","","has coordinates,has disorder","248265","2020-10-21","18:00:00",""
"1557331","11.5721","0.0004","16.6408","0.0005","26.1539","0.0008","84.725","0.001","81.758","0.001","89.936","0.001","4962.9","0.3","160","2","160","2","","","","","","","","5","P -1","-P 1","2","rctt-2","","","- C203.82 H244.63 Cl7.63 N0 O40 -","- C203.778 H247.556 Cl7.556 O40 -","- C203.778 H247.556 Cl7.556 O40 -","1","0.5","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.71073","MoKα","","0.0916","0.0698","","","0.1901","0.2105","","","","","","1.037","","","","has coordinates","250213","2020-10-21","18:00:00",""
"1557332","14.334","0.002","15.534","0.002","16.891","0.002","69.752","0.004","70.947","0.004","76.995","0.003","3308.6","0.7","113","2","113","2","","","","","","","","4","P 1","P 1","1","rcct-3","","","- C112.95 H130.95 Cl15.56 O28 -","- C112.956 H130.956 Cl15.578 O28 -","- C112.956 H130.956 Cl15.578 O28 -","1","1","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.71073","MoKα","","0.141","0.1284","","","0.3328","0.3532","","","","","","1.636","","","","has coordinates,has disorder","250213","2020-10-21","18:00:00",""
"1557333","19.6983","0.0014","20.2034","0.0014","26.3162","0.0018","90","","97.77","0.002","90","","10377","1.3","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","rctt-2[Ox1]","","","- C106 H124 Cl6 O20 -","- C102.327 H119.327 Cl6.981 O20.243 -","- C409.308 H477.308 Cl27.924 O80.972 -","4","1","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.710747","MoKα","","0.1573","0.1192","","","0.3589","0.3975","","","","","","1.517","","","","has coordinates","250213","2020-10-21","18:00:00",""
"1557334","21.532","0.003","19.643","0.003","25.299","0.004","90","","90.699","0.004","90","","10699","3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","rccc-2[Ox2]","","","- C108.36 H122.64 Cl2.26 O20 -","- C107.593 H121.799 Cl2.241 O20 -","- C430.372 H487.196 Cl8.964 O80 -","4","1","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.71073","MoKα","","0.1886","0.1723","","","0.5178","0.5261","","","","","","2.407","","","","has coordinates,has disorder","250213","2020-10-21","18:00:00",""
"1557335","14.4911","0.0011","17.0462","0.0012","27.359","0.002","72.867","0.002","86.978","0.002","77.872","0.002","6313.8","0.8","113","2","113","2","","","","","","","","4","P -1","-P 1","2","rctt-3[Ox1]","","","- C116.82 H140.82 Cl8.45 O28 -","- C116.724 H141.724 Cl8.172 O28 -","- C233.448 H283.448 Cl16.344 O56 -","2","1","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.71073","MoKα","","0.2175","0.1822","","","0.5018","0.5335","","","","","","2.209","","","","has coordinates","250213","2020-10-21","18:00:00",""
"1557336","13.0381","0.0003","16.6752","0.0004","17.4483","0.0004","61.711","0.001","79.037","0.001","74.295","0.001","3207.14","0.13","113","2","213","2","","","","","","","","3","P -1","-P 1","2","rctt-4","","","- C76 H74 O11 -","- C77 H76 O10 -","- C154 H152 O20 -","2","1","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.71073","MoKα","","0.0986","0.0666","","","0.1778","0.204","","","","","","1.034","","","","has coordinates,has disorder","250213","2020-10-21","18:00:00",""
"1557337","21.154","0.005","19.669","0.005","25.429","0.007","90","","90.27","0.008","90","","10580","5","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","rccc-2","","","- C226.36 H257.54 O43.98 -","- C226.412 H257.64 O43.98 -","- C452.824 H515.28 O87.96 -","2","0.5","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.71073","MoKα","","0.2832","0.2119","","","0.5429","0.5675","","","","","","2.195","","","","has coordinates","250213","2020-10-21","18:00:00",""
"1557338","13.2696","0.0005","15.8873","0.0006","18.2435","0.0007","90","","93.3","0.002","90","","3839.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H53 B Eu N5 O17 -","- C31 H49 B Eu N5 O15 -","- C124 H196 B4 Eu4 N20 O60 -","4","1","","Breen, Colum; Pal, Robert; Elsegood, Mark R. J.; Teat, Simon J.; Iza, Felipe; Wende, Kristian; Buckley, Benjamin R.; Butler, Stephen J.","Time-resolved luminescence detection of peroxynitrite using a reactivity-based lanthanide probe","Chemical Science","2020","11","12","3164","3170","10.1039/C9SC06053G","","","0.7288","synchrotron","","0.0314","0.0267","","","0.0661","0.0694","","","","","","1.029","","","","has coordinates,has disorder","257417","2020-10-21","18:00:00",""
"1557341","8.5161","0.0005","10.575","0.0006","15.9557","0.0009","90","","90","","90","","1436.93","0.14","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Cl0 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","","Lin, Qianchi; Hu, Bowen; Xu, Xi; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming","Chiral N,N′-dioxide/Mg(OTf)2 complex-catalyzed asymmetric [2,3]-rearrangement of in situ generated ammonium salts","Chemical Science","2020","11","11","3068","3073","10.1039/C9SC06342K","","","1.54178","CuKα","","0.0314","0.0313","","","0.0922","0.0922","","","","","","1.024","","","","has coordinates","257407","2020-10-21","18:00:00",""
"1557342","6.5602","0.0004","14.7939","0.0009","14.8216","0.0009","90","","91.727","0.005","90","","1437.8","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H14 O -","- C22 H14 O -","- C88 H56 O4 -","4","2","","Huang, Yue-E; Wang, Xing-Zhi; Hu, Peng; Qi, Xing-Hui; Huang, Xiao-Ying; Kloc, Christian; Wu, Xiaohui; Du, Ke-Zhao","Single-photon upconversion in 6-pentaceneone crystal from bulk to ultrathin flakes.","Nanoscale","2020","12","11","6227","6232","10.1039/d0nr00306a","","","0.71073","MoKα","","0.1125","0.0588","","","0.1493","0.1827","","","","","","1.034","","","","has coordinates","250330","2020-10-21","18:00:00",""
"1557352","37.059","0.002","6.5105","0.0004","12.0031","0.0007","90","","104.561","0.003","90","","2803","0.3","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30 H44 O8 -","- C30 H44 O8 -","- C120 H176 O32 -","4","1","","Huang, Yanjie; Li, Xian; Peng, Xing-Rong; Adegoke, Adelakum Tiwalade; Chen, Jian-Chao; Su, Hai-Guo; Hu, Gui-Lin; Wei, Gang; Qiu, Ming-Hua","NMR-based Structural Classification, Identification, and Quantification of Triterpenoids from Edible Mushroom Ganoderma resinaceum.","Journal of agricultural and food chemistry","2020","","","","","10.1021/acs.jafc.9b07791","","","1.54178","CuKα","","0.1112","0.1024","","","0.2843","0.3028","","","","","","1.268","","","","has coordinates","248346","2020-10-21","18:00:00",""
"1557353","8.7074","0.0002","11.7878","0.0003","26.4646","0.0006","90","","90","","90","","2716.36","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 O7 -","- C30 H44 O7 -","- C120 H176 O28 -","4","1","","Huang, Yanjie; Li, Xian; Peng, Xing-Rong; Adegoke, Adelakum Tiwalade; Chen, Jian-Chao; Su, Hai-Guo; Hu, Gui-Lin; Wei, Gang; Qiu, Ming-Hua","NMR-based Structural Classification, Identification, and Quantification of Triterpenoids from Edible Mushroom Ganoderma resinaceum.","Journal of agricultural and food chemistry","2020","","","","","10.1021/acs.jafc.9b07791","","","1.54178","CuKα","","0.0479","0.0415","","","0.1126","0.119","","","","","","0.893","","","","has coordinates","248347","2020-10-21","18:00:00",""
"1557354","12.599","0.003","9.671","0.002","27.353","0.006","90","","98.957","0.002","90","","3292.2","1.3","100","1","100","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 Cl2 N O P2 Ru S -","- C35 H37 Cl2 N O P2 Ru S -","- C140 H148 Cl8 N4 O4 P8 Ru4 S4 -","4","1","","Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F.","Engineering Catalysts for Selective Ester Hydrogenation","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.9b00559","","","0.71073","MoKα","","0.0485","0.035","","","0.0777","0.0823","","","","","","1.177","","","","has coordinates","248352","2020-10-21","18:00:00",""
"1557355","17.8808","0.0015","10.6576","0.0009","19.6658","0.0017","90","","96.36","0.0015","90","","3724.6","0.5","100","1","100","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41 H41 Cl2 N O P2 Ru S -","- C41 H41 Cl2 N O P2 Ru S -","- C164 H164 Cl8 N4 O4 P8 Ru4 S4 -","4","1","","Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F.","Engineering Catalysts for Selective Ester Hydrogenation","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.9b00559","","","0.71073","MoKα","","0.0828","0.0703","","","0.1638","0.1667","","","","","","2.55","","","","has coordinates","248352","2020-10-21","18:00:00",""
"1557356","11.84","0.02","31.81","0.05","10.563","0.018","90","","111.468","0.018","90","","3702","11","100","1","100","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H43 Cl2 N O P2 Ru S -","- C38 H43 Cl2 N O P2 Ru S -","- C152 H172 Cl8 N4 O4 P8 Ru4 S4 -","4","1","","Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F.","Engineering Catalysts for Selective Ester Hydrogenation","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.9b00559","","","0.71073","MoKα","","0.1814","0.1235","","","0.2626","0.2766","","","","","","1.593","","","","has coordinates","248352","2020-10-21","18:00:00",""
"1557357","10.2315","0.0019","22.51","0.004","31.197","0.006","90","","90","","90","","7185","2","100","1","100","1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C40 H39 Cl2 N O P2 Ru S -","- C40 H39 Cl2 N O P2 Ru S -","- C320 H312 Cl16 N8 O8 P16 Ru8 S8 -","8","1","","Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F.","Engineering Catalysts for Selective Ester Hydrogenation","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.9b00559","","","0.71073","MoKα","","0.0394","0.0299","","","0.0698","0.0734","","","","","","1.167","","","","has coordinates","248352","2020-10-21","18:00:00",""
"1557358","10.4094","0.0009","13.855","0.0011","13.8759","0.0011","72.843","0.001","74.273","0.001","73.643","0.001","1795.8","0.3","100","1","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H39 Cl4 N P2 Ru S -","- C36 H39 Cl4 N P2 Ru S -","- C72 H78 Cl8 N2 P4 Ru2 S2 -","2","1","","Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F.","Engineering Catalysts for Selective Ester Hydrogenation","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.9b00559","","","0.71073","MoKα","","0.024","0.0236","","","0.0574","0.0576","","","","","","1.145","","","","has coordinates,has disorder","248352","2020-10-21","18:00:00",""
"1557359","10.1683","0.0007","17.5052","0.0012","20.3353","0.0014","90","","100.513","0.002","90","","3558.9","0.4","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H43 Cl2 N P2 Ru S -","- C38 H43 Cl2 N P2 Ru S -","- C152 H172 Cl8 N4 P8 Ru4 S4 -","4","1","","Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F.","Engineering Catalysts for Selective Ester Hydrogenation","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.9b00559","","","0.71073","MoKα","","0.0391","0.0368","","","0.1117","0.1131","","","","","","1.984","","","","has coordinates","248352","2020-10-21","18:00:00",""
"1557360","5.6483","0.0005","9.0345","0.0007","9.1851","0.0009","90","","103.599","0.004","90","","455.57","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 N2 O4 -","- C8 H14 N2 O4 -","- C16 H28 N4 O8 -","2","0.5","","Blake, Timothy R.; Ho, Wilson C.; Turlington, Christopher R.; Zang, Xiaoyu; Huttner, Melanie A.; Wender, Paul A.; Waymouth, Robert M.","Synthesis and mechanistic investigations of pH-responsive cationic poly(aminoester)s","Chemical Science","2020","11","11","2951","2966","10.1039/C9SC05267D","","","0.71073","MoKα","","0.0376","0.0329","","","0.0896","0.0944","","","","","","1.072","","","","has coordinates","257405","2020-10-21","18:00:00",""
"1557361","7.4767","0.0003","11.673","0.0004","21.5145","0.0012","96.026","0.004","90.715","0.004","98.636","0.003","1845.38","0.14","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H28 Cl2 F17 N3 O3 Pt -","- C30 H28 Cl2 F17 N3 O3 Pt -","- C60 H56 Cl4 F34 N6 O6 Pt2 -","2","1","","Kolari, Kalle; Bulatov, Evgeny; Tatikonda, Rajendhraprasad; Bertula, Kia; Kalenius, Elina; Nonappa, ?; Haukka, Matti","Self-healing, luminescent metallogelation driven by synergistic metallophilic and fluorine-fluorine interactions.","Soft matter","2020","16","11","2795","2802","10.1039/c9sm02186h","","","0.71073","MoKα","","0.0747","0.053","","","0.1065","0.1166","","","","","","1.046","","","","has coordinates,has disorder","250381","2020-10-21","18:00:00",""
"1557362","7.4212","0.0001","12.1297","0.0002","20.0591","0.0003","82.046","0.001","86.277","0.001","85.498","0.002","1780.09","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H53 Cl2 N3 O4 Pt -","- C33 H53 Cl2 N3 O4 Pt -","- C66 H106 Cl4 N6 O8 Pt2 -","2","1","","Kolari, Kalle; Bulatov, Evgeny; Tatikonda, Rajendhraprasad; Bertula, Kia; Kalenius, Elina; Nonappa, ?; Haukka, Matti","Self-healing, luminescent metallogelation driven by synergistic metallophilic and fluorine-fluorine interactions.","Soft matter","2020","16","11","2795","2802","10.1039/c9sm02186h","","","1.54184","CuKα","","0.0405","0.0375","","","0.0977","0.1007","","","","","","1.043","","","","has coordinates","250381","2020-10-21","18:00:00",""
"1557368","21.55","0.0008","6.0366","0.0002","27.4915","0.0009","90","","92.111","0.001","90","","3573.9","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(4-methoxyphenyl)naphthalene","","- C24 H20 O2 -","- C24 H20 O2 -","- C192 H160 O16 -","8","2","TK4061","Manickam, R.; Jagadeesan, G.; Karunakaran, J.; Srinivasan, G.","1,4-Bis(4-methoxyphenyl)naphthalene","IUCrData","2020","5","2","x200212","","10.1107/S2414314620002126","","","0.71073","MoKα","","0.1554","0.0773","","","0.1995","0.2814","","","","","","1.019","","","","has coordinates,has Fobs","248400","2020-10-21","18:00:00",""
"1557369","14.6392","0.0005","5.7111","0.0002","17.5295","0.0006","90","","102.349","0.001","90","","1431.66","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Aminoanilinium 4-methylbenzenesulfonate","","- C13 H16 N2 O3 S -","- C13 H16 N2 O3 S -","- C52 H64 N8 O12 S4 -","4","1","HB4337","Narvekar, Kedar U.; Srinivasan, Bikshandarkoil R.","2-Aminoanilinium 4-methylbenzenesulfonate","IUCrData","2020","5","2","x200230","","10.1107/S2414314620002308","","","0.71073","MoKα","","0.0628","0.0424","","","0.1099","0.1271","","","","","","1.062","","","","has coordinates,has Fobs","248401","2020-10-21","18:00:00",""
"1557370","10.2628","0.0006","20.5653","0.0013","13.3923","0.0008","90","","111.638","0.0015","90","","2627.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-[(<i>tert</i>-Butyldimethylsilyl)oxy]-3-ethenyl-7-methoxy-4-[(trimethylsilyl)ethynyl]naphtho[2,3-<i>c</i>]furan-1(3<i>H</i>)-one","","- C26 H34 O4 Si2 -","- C26 H34 O4 Si2 -","- C104 H136 O16 Si8 -","4","1","BT4089","Weil, Matthias; Kremsmayr, Thomas; Mihovilovic, Marko D.","6-[(<i>tert</i>-Butyldimethylsilyl)oxy]-3-ethenyl-7-methoxy-4-[(trimethylsilyl)ethynyl]naphtho[2,3-<i>c</i>]furan-1(3<i>H</i>)-one","IUCrData","2020","5","2","x200224","","10.1107/S2414314620002242","","","0.71073","MoKα","","0.0591","0.0408","","","0.0955","0.1042","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","248402","2020-10-21","18:00:00",""
"1557371","7.1378","0.0002","9.8466","0.0002","14.7942","0.0003","88.9786","0.0016","79.0044","0.0017","74.6213","0.0019","983.56","0.04","93","2","93","2","","","","","","","","4","P 1","P 1","1","","(R)-2-hydroxy-2?-(2-pyridylmethyloxy)-3-formyl-1,1?-binaphthalene","","- C27 H19 N O3 -","- C27 H19 N O3 -","- C54 H38 N2 O6 -","2","2","","Sasaki, Yui; Kojima, Soya; Hamedpour, Vahid; Kubota, Riku; Takizawa, Shin-ya; Yoshikawa, Isao; Houjou, Hirohiko; Kubo, Yuji; Minami, Tsuyoshi","Accurate chiral pattern recognition for amines from just a single chemosensor","Chemical Science","2020","11","15","3790","3796","10.1039/D0SC00194E","","","0.71073","MoKα","","0.0368","0.0337","","","0.0904","0.0923","","","","","","1.076","","","","has coordinates","257387","2020-10-21","18:00:00",""
"1557372","21.4461","0.0012","8.4399","0.0004","7.3436","0.0004","90","","90","","90","","1329.21","0.12","296","2","296.15","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H12 S -","- C20 H12 S -","- C80 H48 S4 -","4","0.5","","Xu, Niansheng; Zheng, Aibin; Wei, Yuefang; Yuan, Yi; Zhang, Jing; Lei, Ming; Wang, Peng","D‒π‒D molecular semiconductors for perovskite solar cells: the superior role of helical versus planar π-linkers","Chemical Science","2020","11","13","3418","3426","10.1039/D0SC00362J","","","0.71073","MoKα","","0.0568","0.049","","","0.119","0.1277","","","","","","1.091","","","","has coordinates","257349","2020-10-21","18:00:00",""
"1557373","9.2973","0.0003","11.5371","0.0004","17.8524","0.0006","99.629","0.001","101.049","0.001","97.562","0.001","1826.25","0.11","170","2","169.99","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 N2 O4 S -","- C48 H36 N2 O4 S -","- C96 H72 N4 O8 S2 -","2","1","","Xu, Niansheng; Zheng, Aibin; Wei, Yuefang; Yuan, Yi; Zhang, Jing; Lei, Ming; Wang, Peng","D‒π‒D molecular semiconductors for perovskite solar cells: the superior role of helical versus planar π-linkers","Chemical Science","2020","11","13","3418","3426","10.1039/D0SC00362J","","","0.71073","MoKα","","0.0566","0.0453","","","0.1154","0.1241","","","","","","1.023","","","","has coordinates","257349","2020-10-21","18:00:00",""
"1557374","10.5796","0.0014","13.7266","0.0018","14.368","0.0018","85.956","0.005","83.941","0.005","82.064","0.005","2051.7","0.5","170","2","170.01","","","","","","","","","6","P -1","-P 1","2","","","","- C97 H78 Cl2 N4 O8 S2 -","- C97 H78 Cl2 N4 O8 S2 -","- C97 H78 Cl2 N4 O8 S2 -","1","0.5","","Xu, Niansheng; Zheng, Aibin; Wei, Yuefang; Yuan, Yi; Zhang, Jing; Lei, Ming; Wang, Peng","D‒π‒D molecular semiconductors for perovskite solar cells: the superior role of helical versus planar π-linkers","Chemical Science","2020","11","13","3418","3426","10.1039/D0SC00362J","","","0.71073","MoKα","","0.1839","0.1059","","","0.3102","0.3784","","","","","","1.126","","","","has coordinates,has disorder","257349","2020-10-21","18:00:00",""
"1557375","9.8562","0.0002","7.7464","0.0002","10.34","0.0002","90","","91.055","0.001","90","","789.33","0.03","173","2","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H26 O5 -","- C17 H26 O5 -","- C34 H52 O10 -","2","1","","Fu, Yifan; Ding, Xiaoyu; Zhang, Xianglei; Shao, Xingcheng; Zhao, Jihui; Xu, Yechun; Luo, Xiaomin; Zhao, Weimin","Diterpenoids from the Root Bark of Pinus massoniana and Evaluation of Their Phosphodiesterase Type 4D Inhibitory Activity","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01269","","","1.54178","CuKα","","0.0316","0.0299","","","0.076","0.0779","","","","","","1.058","","","","has coordinates","248463","2020-10-21","18:00:00",""
"1557376","10.8116","0.0005","14.4381","0.0006","14.9803","0.0007","90","","96.596","0.002","90","","2322.93","0.18","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Au2 Fe N6 -","- C22 H14 Au2 Fe N6 -","- C88 H56 Au8 Fe4 N24 -","4","1","","Chen, Yan-Cong; Meng, Yan; Dong, Yan-Jie; Song, Xiao-Wei; Huang, Guo-Zhang; Zhang, Chuan-Lei; Ni, Zhao-Ping; Navařík, Jakub; Malina, Ondřej; Zbořil, Radek; Tong, Ming-Liang","Light- and temperature-assisted spin state annealing: accessing the hidden multistability","Chemical Science","2020","11","12","3281","3289","10.1039/C9SC05971G","","x-ray","0.71073","MoKα","","0.0366","0.0301","","","0.0704","0.0745","","","","","","1.077","","","","has coordinates","257415","2020-10-21","18:00:00",""
"1557377","10.7397","0.0012","14.1109","0.0014","14.679","0.0016","90","","95.98","0.003","90","","2212.5","0.4","80","2","80","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Au2 Fe N6 -","- C22 H14 Au2 Fe N6 -","- C88 H56 Au8 Fe4 N24 -","4","1","","Chen, Yan-Cong; Meng, Yan; Dong, Yan-Jie; Song, Xiao-Wei; Huang, Guo-Zhang; Zhang, Chuan-Lei; Ni, Zhao-Ping; Navařík, Jakub; Malina, Ondřej; Zbořil, Radek; Tong, Ming-Liang","Light- and temperature-assisted spin state annealing: accessing the hidden multistability","Chemical Science","2020","11","12","3281","3289","10.1039/C9SC05971G","","x-ray","0.71073","MoKα","","0.1056","0.0676","","","0.1345","0.1487","","","","","","1.107","","","","has coordinates","257415","2020-10-21","18:00:00",""
"1557378","10.7739","0.0005","13.9861","0.0006","14.5762","0.0007","90","","95.77","0.002","90","","2185.28","0.17","80","2","80","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Au2 Fe N6 -","- C22 H14 Au2 Fe N6 -","- C88 H56 Au8 Fe4 N24 -","4","1","","Chen, Yan-Cong; Meng, Yan; Dong, Yan-Jie; Song, Xiao-Wei; Huang, Guo-Zhang; Zhang, Chuan-Lei; Ni, Zhao-Ping; Navařík, Jakub; Malina, Ondřej; Zbořil, Radek; Tong, Ming-Liang","Light- and temperature-assisted spin state annealing: accessing the hidden multistability","Chemical Science","2020","11","12","3281","3289","10.1039/C9SC05971G","","x-ray","0.71073","MoKα","","0.0499","0.0391","","","0.0809","0.0865","","","","","","1.162","","","","has coordinates","257415","2020-10-21","18:00:00",""
"1557379","10.7701","0.001","14.1621","0.0012","14.7425","0.0013","90.082","0.003","96.077","0.003","90.471","0.003","2235.9","0.3","80","2","80.09","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 Au2 Fe N6 -","- C22 H14 Au2 Fe N6 -","- C88 H56 Au8 Fe4 N24 -","4","2","","Chen, Yan-Cong; Meng, Yan; Dong, Yan-Jie; Song, Xiao-Wei; Huang, Guo-Zhang; Zhang, Chuan-Lei; Ni, Zhao-Ping; Navařík, Jakub; Malina, Ondřej; Zbořil, Radek; Tong, Ming-Liang","Light- and temperature-assisted spin state annealing: accessing the hidden multistability","Chemical Science","2020","11","12","3281","3289","10.1039/C9SC05971G","","x-ray","0.71073","MoKα","","0.0955","0.0909","","","0.2265","0.2285","","","","","","1.349","","","","has coordinates","257415","2020-10-21","18:00:00",""
"1557380","12.5252","0.0009","16.8071","0.0012","12.9207","0.0011","90","","90.786","0.002","90","","2719.7","0.4","153","2","153","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C60 H56 B2 F8 N2 O8 -","- C60 H56 B2 F7.852 N2 O8 -","- C120 H112 B4 F15.704 N4 O16 -","2","1","","Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo","N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts","Chemical Science","2020","11","12","3192","3197","10.1039/D0SC00225A","","","0.71073","MoKα","","0.1604","0.0998","","","0.244","0.2992","","","","","","1.036","","","","has coordinates,has disorder","257416","2020-10-21","18:00:00",""
"1557381","9.3351","0.0006","20.6304","0.0013","9.7275","0.0006","90","","105.289","0.002","90","","1807.1","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O2 -","- C23 H23 N O2 -","- C92 H92 N4 O8 -","4","1","","Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo","N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts","Chemical Science","2020","11","12","3192","3197","10.1039/D0SC00225A","","","0.71073","MoKα","","0.1079","0.0841","","","0.1306","0.1379","","","","","","1.202","","","","has coordinates","257416","2020-10-21","18:00:00",""
"1557382","11.0604","0.0006","16.678","0.0009","15.1704","0.0008","90","","100.639","0.002","90","","2750.3","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 B F4 N O2 -","- C33 H28 B F4 N O2 -","- C132 H112 B4 F16 N4 O8 -","4","1","","Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo","N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts","Chemical Science","2020","11","12","3192","3197","10.1039/D0SC00225A","","","0.71073","MoKα","","0.0531","0.0418","","","0.0963","0.1035","","","","","","1.03","","","","has coordinates,has disorder","257416","2020-10-21","18:00:00",""
"1557383","9.2314","0.0005","19.6394","0.0011","19.9121","0.001","90","","93.605","0.002","90","","3602.9","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C160 H168 N8 O32 -","8","2","","Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo","N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts","Chemical Science","2020","11","12","3192","3197","10.1039/D0SC00225A","","","0.71073","MoKα","","0.142","0.0892","","","0.1397","0.1553","","","","","","1.144","","","","has coordinates,has disorder","257416","2020-10-21","18:00:00",""
"1557384","8.497","0.003","13.357","0.005","13.775","0.005","90","","85.689","0.014","90","","1559","1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 F2 O2 S -","- C17 H18 F2 O2 S -","- C68 H72 F8 O8 S4 -","4","1","","Huang, Xin; Zhang, Yage; Liang, Weijian; Zhang, Qifeng; Zhan, Yaling; Kong, Lichun; Peng, Bo","Dearomatization of aryl sulfoxides: a switch between mono- and dual-difluoroalkylation","Chemical Science","2020","11","11","3048","3053","10.1039/D0SC00244E","","","0.71073","MoKα","","","0.0712","","","0.1506","0.2022","","","","","","1.011","","","","has coordinates","257402","2020-10-21","18:00:00",""
"1557385","10.2309","0.0005","13.2445","0.0005","13.5012","0.0006","66.799","0.001","70.33","0.001","75.627","0.001","1569.19","0.12","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H29 Cl F4 O4 S2 -","- C33 H29 Cl F4 O4 S2 -","- C66 H58 Cl2 F8 O8 S4 -","2","1","","Huang, Xin; Zhang, Yage; Liang, Weijian; Zhang, Qifeng; Zhan, Yaling; Kong, Lichun; Peng, Bo","Dearomatization of aryl sulfoxides: a switch between mono- and dual-difluoroalkylation","Chemical Science","2020","11","11","3048","3053","10.1039/D0SC00244E","","","0.71073","MoKα","","","0.0537","","","0.1584","0.1818","","","","","","1.021","","","","has coordinates","257402","2020-10-21","18:00:00",""
"1557386","15.327","0.004","9.854","0.002","28.274","0.007","90","","104.113","0.009","90","","4141.4","1.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H12 Br F6 N -","- C23 H12 Br F6 N -","- C184 H96 Br8 F48 N8 -","8","1","","Jyothi, Mane; Annadhasan, Mari; Vinay Pradeep, Vuppu; Chandrasekar, Rajadurai","Direct micro-scale monitoring of molecular aggregation, its growth and diffusion via aggregation-induced emission.","Soft matter","2020","16","11","2664","2668","10.1039/d0sm00108b","","","0.71073","MoKα","","0.1443","0.0736","","","0.1628","0.1931","","","","","","1.023","","","","has coordinates","250382","2020-10-21","18:00:00",""
"1557387","14.2399","0.0005","7.5126","0.0003","14.7479","0.0005","90","","101.619","0.0019","90","","1545.38","0.1","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C28 H20 N2 O6 Zn -","- C28 H20 N2 O6 Zn -","- C56 H40 N4 O12 Zn2 -","2","0.5","","Park, In-Hyeok; Dey, Atanu; Sasaki, Kenta; Ohba, Masaaki; Lee, Shim Sung; Vittal, Jagadese J.","Disappeared supramolecular isomer reappears with perylene guest","IUCrJ","2020","7","2","324","330","10.1107/S2052252520001451","","","0.71073","MoKα","","0.0577","0.0485","","","0.1466","0.1522","","","","","","1.118","","","","has coordinates,has disorder","249078","2020-10-21","18:00:00",""
"1557388","20.1826","0.0009","18.7307","0.0007","17.1854","0.0006","90","","91.583","0.002","90","","6494.2","0.4","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C56 H40 N4 O12 Zn2 -","- C56 H40 N4 O12 Zn2 -","- C224 H160 N16 O48 Zn8 -","4","1","","Park, In-Hyeok; Dey, Atanu; Sasaki, Kenta; Ohba, Masaaki; Lee, Shim Sung; Vittal, Jagadese J.","Disappeared supramolecular isomer reappears with perylene guest","IUCrJ","2020","7","2","324","330","10.1107/S2052252520001451","","","1.54178","CuKα","","0.0997","0.0768","","","0.2231","0.2401","","","","","","1.091","","","","has coordinates,has disorder","249078","2020-10-21","18:00:00",""
"1557389","28.18","0.004","14.88","0.002","18.158","0.003","90","","124.421","0.006","90","","6280.8","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 N2 O6 Zn -","- C38 H26 N2 O6 Zn -","- C304 H208 N16 O48 Zn8 -","8","1","","Park, In-Hyeok; Dey, Atanu; Sasaki, Kenta; Ohba, Masaaki; Lee, Shim Sung; Vittal, Jagadese J.","Disappeared supramolecular isomer reappears with perylene guest","IUCrJ","2020","7","2","324","330","10.1107/S2052252520001451","","","1.54178","CuKα","","0.0874","0.0558","","","0.125","0.1387","","","","","","1.032","","","","has coordinates,has disorder","249078","2020-10-21","18:00:00",""
"1557394","6.2309","0.0007","7.4169","0.0008","13.0054","0.0015","90","","90.1686","0.0018","90","","601.03","0.12","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-([1,1'-biphenyl]-4-yl)dihydrofuran-2(3H)-one","","- C16 H14 O2 -","- C16 H14 O2 -","- C32 H28 O4 -","2","1","","Liu, Lei; Lee, Wes; Yuan, Mingbin; Acha, Chris; Geherty, Michael B.; Williams, Brandon; Gutierrez, Osvaldo","Intra- and intermolecular Fe-catalyzed dicarbofunctionalization of vinyl cyclopropanes","Chemical Science","2020","11","12","3146","3151","10.1039/D0SC00467G","","","0.71073","MoKα","","0.0424","0.0364","","","0.0709","0.0725","","","","","","1","","","","has coordinates","257410","2020-10-21","18:00:00",""
"1557395","22.979","0.005","22.979","0.005","15.496","0.004","90","","90","","120","","7086","3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C102 H68 N18 O27 Zn8 -","- C102 H68.0004 N18 O27 Zn8 -","- C306 H204.001 N54 O81 Zn24 -","3","0.166667","","Chen, Sheng-Chun; Zhang, Fei-Hang; Huang, Kun-Lin; Tian, Feng; Zhang, Zhi-Hui; Zhou, Renxian; Feng, Xue-Jun; Zhou, Xiaoying; He, Ming-Yang; Gu, Jiande; Chen, Qun; Wu, Chuan-De","The crucial roles of guest water in a biocompatible coordination network in the catalytic ring-opening polymerization of cyclic esters: a new mechanistic perspective","Chemical Science","2020","11","12","3345","3354","10.1039/C9SC06024C","","","0.71073","MoKα","","0.0825","0.0627","","","0.1507","0.1594","","","","","","1.192","","","","has coordinates","257411","2020-10-21","18:00:00",""
"1557396","16.2062","0.0011","8.1904","0.0004","17.137","0.0007","90","","91.218","0.005","90","","2274.2","0.2","150","0.3","150","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 B Br -","- C30 H26 B Br -","- C120 H104 B4 Br4 -","4","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","0.71073","MoKα","","0.0994","0.0516","","","0.1045","0.1251","","","","","","1.018","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557397","8.4803","0.0005","9.1672","0.0005","19.9099","0.0011","80.254","0.004","85.195","0.005","68.593","0.005","1419.82","0.15","150.03","0.13","150.03","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C36 H36 B Br -","- C36 H36 B Br -","- C72 H72 B2 Br2 -","2","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","1.54184","CuKα","","0.0551","0.0442","","","0.119","0.1259","","","","","","1.068","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557398","6.4265","0.0004","15.8695","0.001","20.617","0.0011","90","","97.511","0.005","90","","2084.6","0.2","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 B Br O2 -","- C22 H26 B Br O2 -","- C88 H104 B4 Br4 O8 -","4","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","0.71073","MoKα","","0.0689","0.0481","","","0.0809","0.0877","","","","","","1.069","","","","has coordinates,has disorder","257413","2020-10-21","18:00:00",""
"1557399","9.4752","0.0004","9.8107","0.0004","15.1088","0.0006","93.579","0.003","100.145","0.003","90.47","0.003","1379.57","0.1","150.03","0.1","150.03","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C62 H78 B2 Br2 -","- C62 H78 B2 Br2 -","- C62 H78 B2 Br2 -","1","0.5","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","1.54184","CuKα","","0.0426","0.0376","","","0.092","0.0954","","","","","","1.116","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557400","20.7096","0.0003","6.4384","0.0001","15.5735","0.0002","90","","90","","90","","2076.52","0.05","120.01","0.1","120.01","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H26 B Br O2 -","- C22 H26 B Br O2 -","- C88 H104 B4 Br4 O8 -","4","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","1.54184","CuKα","","0.044","0.0438","","","0.1085","0.1089","","","","","","1.045","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557401","13.2781","0.0003","5.936","0.0001","18.4485","0.0004","90","","100.58","0.002","90","","1429.37","0.05","170","2","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 B Br3 -","- C14 H10 B Br3 -","- C56 H40 B4 Br12 -","4","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","0.71073","MoKα","","0.0453","0.0309","","","0.0661","0.0706","","","","","","1.13","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557402","42.071","0.003","29.3977","0.001","6.6541","0.0002","90","","90","","90","","8229.7","0.7","120.01","0.1","120.01","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C44 H42 B2 Br2 O2 -","- C44 H42 B2 Br2 O2 -","- C352 H336 B16 Br16 O16 -","8","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","1.54184","CuKα","","0.1173","0.0907","","","0.2404","0.258","","","","","","1.129","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557403","16.0697","0.0011","19.1015","0.0011","7.184","0.0005","90","","99.697","0.006","90","","2173.7","0.2","270","0.1","270","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 B Br O -","- C28 H22 B Br O -","- C112 H88 B4 Br4 O4 -","4","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","0.71073","MoKα","","0.0908","0.0513","","","0.0946","0.108","","","","","","1.065","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557404","8.0182","0.0003","16.5443","0.0007","17.4491","0.0008","64.933","0.004","86.117","0.003","77.027","0.003","2042.2","0.17","99.8","0.5","99.8","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C100 H108 B4 Br4 -","- C100 H108 B4 Br4 -","- C100 H108 B4 Br4 -","1","0.5","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","1.54184","CuKα","","0.0552","0.0457","","","0.1204","0.1272","","","","","","1.044","","","","has coordinates,has disorder","257413","2020-10-21","18:00:00",""
"1557405","9.836","0.002","10.894","0.002","14.514","0.003","82.02","0.03","73.02","0.03","71.06","0.03","1405.2","0.6","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C62 H56 B2 Br2 -","- C62 H56 B2 Br2 -","- C62 H56 B2 Br2 -","1","0.5","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","0.71073","MoKα","","0.1034","0.0698","","","0.1328","0.1467","","","","","","1.02","","","","has coordinates,has disorder","257413","2020-10-21","18:00:00",""
"1557406","13.45","0.003","14.624","0.003","15.214","0.003","91.36","0.03","92.15","0.03","116.43","0.03","2675.1","1.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H68 B2 Br2 -","- C58 H54 B2 Br2 -","- C116 H108 B4 Br4 -","2","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","","0.71073","MoKα","","0.0889","0.0668","","","0.1815","0.1948","","","","","","1.032","","","","has coordinates,has disorder","257413","2020-10-21","18:00:00",""
"1557407","9.7165","0.0004","13.0789","0.0008","16.8043","0.0008","76.357","0.005","79.83","0.004","85.53","0.004","2041.18","0.19","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C45.5 H56 N2 O2 Zn -","- C45.5 H55.5 N2 O2 Zn -","- C91 H111 N4 O4 Zn2 -","2","1","","Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D.","Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method","Polymer Chemistry","2020","11","13","2381","2389","10.1039/D0PY00192A","","x-ray","1.54184","CuKα","","0.0596","0.0536","","","0.1494","0.157","","","","","","1.018","","","","has coordinates","257943","2020-10-21","18:00:00",""
"1557408","9.4634","0.0002","12.7656","0.0002","11.441","0.0002","90","","105.049","0.002","90","","1334.74","0.04","150","2","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N2 O2 Zn2 -","- C30 H30 N2 O2 Zn2 -","- C60 H60 N4 O4 Zn4 -","2","0.5","","Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D.","Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method","Polymer Chemistry","2020","11","13","2381","2389","10.1039/D0PY00192A","","x-ray","1.54184","CuKα","","0.0388","0.0365","","","0.0968","0.0996","","","","","","1.07","","","","has coordinates","257943","2020-10-21","18:00:00",""
"1557409","9.4398","0.0007","10.7434","0.0008","12.1939","0.001","67.141","0.007","68.745","0.007","77.707","0.007","1058.27","0.16","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N2 O2 Zn -","- C26 H20 N2 O2 Zn -","- C52 H40 N4 O4 Zn2 -","2","1","","Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D.","Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method","Polymer Chemistry","2020","11","13","2381","2389","10.1039/D0PY00192A","","x-ray","1.54184","CuKα","","0.0323","0.0298","","","0.08","0.0822","","","","","","1","","","","has coordinates","257943","2020-10-21","18:00:00",""
"1557410","8.3728","0.0004","13.2623","0.0005","13.5714","0.0007","90","","97.625","0.005","90","","1493.68","0.12","150","2","150.02","0.19","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 Cl4 N2 O2 Zn2 -","- C30 H26 Cl4 N2 O2 Zn2 -","- C60 H52 Cl8 N4 O4 Zn4 -","2","0.5","","Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D.","Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method","Polymer Chemistry","2020","11","13","2381","2389","10.1039/D0PY00192A","","x-ray","0.71073","MoKα","","0.0445","0.0327","","","0.0685","0.0733","","","","","","1.034","","","","has coordinates","257943","2020-10-21","18:00:00",""
"1557411","11.4229","0.0006","11.7375","0.0006","13.3309","0.0006","65.684","0.005","83.729","0.004","66.409","0.005","1489.37","0.16","150","2","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C33 H24 Cl4 N2 O2 Zn -","- C33 H24 Cl4 N2 O2 Zn -","- C66 H48 Cl8 N4 O4 Zn2 -","2","1","","Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D.","Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method","Polymer Chemistry","2020","11","13","2381","2389","10.1039/D0PY00192A","","x-ray","1.54184","CuKα","","0.0289","0.0268","","","0.0679","0.0699","","","","","","1.031","","","","has coordinates","257943","2020-10-21","18:00:00",""
"1557412","25.1264","0.0008","18.5514","0.0005","18.1043","0.0005","90","","90.301","0.003","90","","8438.8","0.4","150","2","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H62 N2 O2 Zn2 -","- C46 H62 N2 O2 Zn2 -","- C368 H496 N16 O16 Zn16 -","8","2","","Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D.","Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method","Polymer Chemistry","2020","11","13","2381","2389","10.1039/D0PY00192A","","x-ray","1.54184","CuKα","","0.0533","0.0468","","","0.1285","0.1338","","","","","","1.101","","","","has coordinates","257943","2020-10-21","18:00:00",""
"1557413","13.949","0.0009","4.9891","0.0003","17.3647","0.0011","90","","105.693","0.004","90","","1163.42","0.13","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,3-Bis(2-oxopropyl)thymine","5-Methyl-1,3-bis(2-oxopropyl)pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C11 H14 N2 O4 -","- C11 H14 N2 O4 -","- C44 H56 N8 O16 -","4","1","ZQ4039","Doboszewski, Bogdan; Nazarenko, Alexander Y.; Soares, Fábio da Paixão","1,3-Bis(2-oxopropyl)thymine","IUCrData","2020","5","2","x200257","","10.1107/S2414314620002576","","","0.71073","MoKα","","0.0621","0.042","","","0.0931","0.103","","","","","","1.027","","","","has coordinates,has Fobs","248570","2020-10-21","18:00:00",""
"1557414","14.7455","0.001","11.9504","0.0008","11.9649","0.0008","90","","101.898","0.002","90","","2063.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[(1<i>R</i>*,3<i>S</i>*,4<i>S</i>*)-3-(2-Hydroxybenzoyl)-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-1-yl]methyl 4-nitrobenzoate","","- C25 H19 N O7 -","- C25 H19 N O7 -","- C100 H76 N4 O28 -","4","1","HB4338","Lough, Alan J.; Ho, Angel; Tam, William","[(1<i>R</i>*,3<i>S</i>*,4<i>S</i>*)-3-(2-Hydroxybenzoyl)-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-1-yl]methyl 4-nitrobenzoate","IUCrData","2020","5","2","x200265","","10.1107/S2414314620002655","","","0.71073","MoKα","","0.0617","0.0359","","","0.0821","0.093","","","","","","1.011","","","","has coordinates,has Fobs","248571","2020-10-21","18:00:00",""
"1557424","10.4391","0.001","11.8365","0.0008","10.5951","0.001","90","","116.601","0.012","90","","1170.6","0.2","158","2","158","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H33 Cl F N O10 -","- C19 H33 Cl F N O10 -","- C38 H66 Cl2 F2 N2 O20 -","2","1","","Jiang, Fan; Wang, Chang-Feng; Wu, Ya-Xing; Li, Hui-Hui; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Nonlinear Optical and Photoluminescence Bistable Responses Accompanied by Tunable Dielectric Behaviors in Crown Inclusions","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c01122","","","0.71073","MoKα","","0.0736","0.0681","","","0.206","0.2098","","","","","","1.081","","","","has coordinates","248619","2020-10-21","18:00:00",""
"1557425","11.2828","0.0008","17.8489","0.0014","12.4059","0.0011","90","","90","","90","","2498.4","0.3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C19 H33 Cl2 N O11 -","- C19 H33 Cl2 N O11 -","- C76 H132 Cl8 N4 O44 -","4","0.5","","Jiang, Fan; Wang, Chang-Feng; Wu, Ya-Xing; Li, Hui-Hui; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Nonlinear Optical and Photoluminescence Bistable Responses Accompanied by Tunable Dielectric Behaviors in Crown Inclusions","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c01122","","","0.71073","MoKα","","0.1327","0.1052","","","0.2823","0.3139","","","","","","1.064","","","","has coordinates","248620","2020-10-21","18:00:00",""
"1557426","11.1097","0.0013","18.09","0.002","12.2804","0.0017","90","","90","","90","","2468","0.5","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C19 H33 Cl F N O11 -","- C19 H33 Cl F N O11 -","- C76 H132 Cl4 F4 N4 O44 -","4","0.5","","Jiang, Fan; Wang, Chang-Feng; Wu, Ya-Xing; Li, Hui-Hui; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Nonlinear Optical and Photoluminescence Bistable Responses Accompanied by Tunable Dielectric Behaviors in Crown Inclusions","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c01122","","","0.71073","MoKα","","0.2032","0.1126","","","0.2849","0.3462","","","","","","1.041","","","","has coordinates","248621","2020-10-21","18:00:00",""
"1557427","17.5144","0.0004","22.5809","0.0005","11.9905","0.0003","90","","90","","90","","4742.13","0.19","128","2","128","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H33 Cl2 N O10 -","- C19 H33 Cl2 N O10 -","- C152 H264 Cl16 N8 O80 -","8","2","","Jiang, Fan; Wang, Chang-Feng; Wu, Ya-Xing; Li, Hui-Hui; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Nonlinear Optical and Photoluminescence Bistable Responses Accompanied by Tunable Dielectric Behaviors in Crown Inclusions","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c01122","","","0.71073","MoKα","","0.1468","0.1454","","","0.2981","0.2988","","","","","","1.089","","","","has coordinates","248622","2020-10-21","18:00:00",""
"1557428","10.6898","0.0007","11.775","0.0008","11.9913","0.0007","71.708","0.002","65.4407","0.0019","89.239","0.002","1291.4","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 N2 O2 P -","- C33 H27 N2 O2 P -","- C66 H54 N4 O4 P2 -","2","1","","Zhuang, Zeyan; Dai, Jun; Yu, Maoxing; Li, Jianqing; Shen, Pingchuan; Hu, Rong; Lou, Xiaoding; Zhao, Zujin; Tang, Ben Zhong","Type I photosensitizers based on phosphindole oxide for photodynamic therapy: apoptosis and autophagy induced by endoplasmic reticulum stress","Chemical Science","2020","11","13","3405","3417","10.1039/D0SC00785D","","","0.71073","MoKα","","0.0899","0.0597","","","0.1164","0.1316","","","","","","1.038","","","","has coordinates","257350","2020-10-21","18:00:00",""
"1557429","9.1957","0.0006","10.841","0.0007","13.3381","0.0008","100.85","0.002","100.343","0.002","93.057","0.002","1279.46","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 N2 O2 P -","- C33 H27 N2 O2 P -","- C66 H54 N4 O4 P2 -","2","1","","Zhuang, Zeyan; Dai, Jun; Yu, Maoxing; Li, Jianqing; Shen, Pingchuan; Hu, Rong; Lou, Xiaoding; Zhao, Zujin; Tang, Ben Zhong","Type I photosensitizers based on phosphindole oxide for photodynamic therapy: apoptosis and autophagy induced by endoplasmic reticulum stress","Chemical Science","2020","11","13","3405","3417","10.1039/D0SC00785D","","","0.71073","MoKα","","0.1091","0.0499","","","0.0814","0.0961","","","","","","1.05","","","","has coordinates,has disorder","257350","2020-10-21","18:00:00",""
"1557430","40.6116","0.0006","14.3027","0.0002","43.1791","0.0009","90","","108.163","0.002","90","","23831.1","0.7","120","0.1","120","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C228 H104 B4 Cl4 F96 N12 O2 Pd2 -","- C228 H104 B4 Cl4 F96 N12 O2 Pd2 -","- C912 H416 B16 Cl16 F384 N48 O8 Pd8 -","4","0.5","","Martí-Centelles, Vicente; Spicer, Rebecca L.; Lusby, Paul J.","Non-covalent allosteric regulation of capsule catalysis","Chemical Science","2020","11","12","3236","3240","10.1039/D0SC00341G","","x-ray","1.54178","CuKα","","0.103","0.0936","","","0.2484","0.2569","","","","","","1.103","","","","has coordinates,has disorder","257418","2020-10-21","18:00:00",""
"1557435","9.8085","0.0005","8.9262","0.0004","21.7277","0.0009","90","","99.222","0.005","90","","1877.73","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 B N2 O5 -","- C20 H19 B N2 O5 -","- C80 H76 B4 N8 O20 -","4","1","","Williams, Alexander F.; White, Andrew J. P.; Spivey, Alan C.; Cordier, Christopher J.","meta-Selective C‒H functionalisation of aryl boronic acids directed by a MIDA-derived boronate ester","Chemical Science","2020","11","12","3301","3306","10.1039/D0SC00230E","","","0.71073","MoKα","","0.0648","0.0439","","","0.0895","0.1012","","","","","","1.044","","","","has coordinates","257412","2020-10-21","18:00:00",""
"1557436","18.02","0.001","18.742","0.001","19.74","0.001","90","","90","","90","","6666.8","0.6","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(<i>N</i>-adamantyl-<i>N</i>'-ethylimidazolium) tetrabromidomanganate(II)","","- C30 H46 Br4 Mn N4 -","- C30 H46 Br4 Mn N4 -","- C240 H368 Br32 Mn8 N32 -","8","1","WM4124","Giltzau, Niels Ole; Köckerling, Martin","Bis(N-adamantyl-N′-ethylimidazolium) tetrabromidomanganate(II)","IUCrData","2020","5","3","","","10.1107/S2414314620002618","","","0.71073","MoKα","","0.041","0.0269","","","0.0581","0.0661","","","","","","1.207","","","","has coordinates,has Fobs","248737","2020-10-21","18:00:00",""
"1557437","23.302","0.005","23.302","0.005","21.347","0.004","90","0.03","90","0.03","120","0.03","10038","5","173","2","173","2","","","","","","","","8","P 63","P 6c","173","","","","- C172 H168 Ca F21 N24 O30 Rh6 S7 -","- C169 H168 Ca F12 N24 O21 Rh6 S4 -","- C338 H336 Ca2 F24 N48 O42 Rh12 S8 -","2","0.333333","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","s-Block metal ions induce structural transformations between figure-eight and double trefoil knots","Chemical Science","2020","11","5","1226","1232","10.1039/C9SC05796J","","","1.34138","GaKα","","0.0576","0.0545","","","0.1565","0.1621","","","","","","1.068","","","","has coordinates,has disorder","257310","2020-10-21","18:00:00",""
"1557438","22.5096","0.0015","25.221","0.002","39.36","0.003","72.977","0.003","89.886","0.004","76.76","0.004","20747","3","173","2","173","","","","","","","","","8","P -1","-P 1","2","","","","- C333 H250 F35 K2 N99 O100 Rh12 S7 -","- C335 F24 K2 N48 O43 Rh12 S8 -","- C670 F48 K4 N96 O86 Rh24 S16 -","2","1","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","s-Block metal ions induce structural transformations between figure-eight and double trefoil knots","Chemical Science","2020","11","5","1226","1232","10.1039/C9SC05796J","","","1.34139","GaKα","","0.2025","0.1885","","","0.4726","0.4884","","","","","","2.124","","","","has coordinates,has disorder","257310","2020-10-21","18:00:00",""
"1557439","22.673","0.005","22.673","0.005","20.482","0.004","90","0.03","90","0.03","120","0.03","9118","4","173","2","173","2","","","","","","","","8","P 63","P 6c","173","","","","- C170 H185 F24 N24 O34.5 Rh6 S8 Sr -","- C170 H168 F24 N24 O34.5 Rh6 S8 Sr -","- C340 H336 F48 N48 O69 Rh12 S16 Sr2 -","2","0.333333","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","s-Block metal ions induce structural transformations between figure-eight and double trefoil knots","Chemical Science","2020","11","5","1226","1232","10.1039/C9SC05796J","","","1.34138","GaKα","","0.1205","0.0868","","","0.1834","0.2097","","","","","","1.053","","","","has coordinates","257310","2020-10-21","18:00:00",""
"1557440","22.564","0.003","22.564","0.003","20.375","0.003","90","","90","","120","","8984","2","173","2","173","2","","","","","","","","8","P 63","P 6c","173","","","","- C173 H189 F24 N24 O37.5 Rh6 S8 Sr -","- C173 H168 F24 N24 O34.5 Rh6 S8 Sr -","- C346 H336 F48 N48 O69 Rh12 S16 Sr2 -","2","0.333333","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","s-Block metal ions induce structural transformations between figure-eight and double trefoil knots","Chemical Science","2020","11","5","1226","1232","10.1039/C9SC05796J","","","1.34138","GaKα","","0.1109","0.1065","","","0.3181","0.3222","","","","","","1.075","","","","has coordinates","257310","2020-10-21","18:00:00",""
"1557441","72.911","0.005","20.9282","0.0014","33.246","0.002","90","","106.419","0.002","90","","48661","6","173","2","173.05","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C190 H252 Ba2 F30 N24 O60 Rh6 S14 -","- C175 H184 Ba2 F18 N24 O32 Rh6 S7 -","- C1400 H1472 Ba16 F144 N192 O256 Rh48 S56 -","8","1","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","s-Block metal ions induce structural transformations between figure-eight and double trefoil knots","Chemical Science","2020","11","5","1226","1232","10.1039/C9SC05796J","","","1.34138","GaKα","","0.1012","0.0929","","","0.2998","0.313","","","","","","1.346","","","","has coordinates,has disorder","257310","2020-10-21","18:00:00",""
"1557442","14.557","0.003","10.2366","0.0005","8.2137","0.0014","90","","141.27","0.04","90","","765.8","0.7","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N2 Ni O2 -","- C16 H20 N2 Ni O2 -","- C32 H40 N4 Ni2 O4 -","2","0.5","","Fisher, Katherine J.; Feuer, Margalit L.; Lant, Hannah M. C.; Mercado, Brandon Q.; Crabtree, Robert H.; Brudvig, Gary W.","Concerted proton-electron transfer oxidation of phenols and hydrocarbons by a high-valent nickel complex.","Chemical science","2020","11","6","1683","1690","10.1039/c9sc05565g","","","1.54184","CuKα","","0.0318","0.0281","","","0.0708","0.0733","","","","","","1.048","","","","has coordinates","250230","2020-10-21","18:00:00",""
"1557443","8.3939","0.0004","14.9329","0.0008","8.7611","0.0006","90","","108.791","0.008","90","","1039.63","0.11","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 N2 Ni O6 -","- C20 H28 N2 Ni O6 -","- C40 H56 N4 Ni2 O12 -","2","0.5","","Fisher, Katherine J.; Feuer, Margalit L.; Lant, Hannah M. C.; Mercado, Brandon Q.; Crabtree, Robert H.; Brudvig, Gary W.","Concerted proton-electron transfer oxidation of phenols and hydrocarbons by a high-valent nickel complex.","Chemical science","2020","11","6","1683","1690","10.1039/c9sc05565g","","","0.71075","MoKα","","0.0538","0.0418","","","0.08","0.0846","","","","","","1.046","","","","has coordinates","250230","2020-10-21","18:00:00",""
"1557444","22.4997","0.0012","8.4913","0.0003","17.7726","0.0007","90","","111.646","0.005","90","","3156","0.3","93","2","93","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C31 H35 F6 N5 Ni O2 P -","- C31 H35 F6 N5 Ni O2 P -","- C124 H140 F24 N20 Ni4 O8 P4 -","4","0.5","","Fisher, Katherine J.; Feuer, Margalit L.; Lant, Hannah M. C.; Mercado, Brandon Q.; Crabtree, Robert H.; Brudvig, Gary W.","Concerted proton-electron transfer oxidation of phenols and hydrocarbons by a high-valent nickel complex.","Chemical science","2020","11","6","1683","1690","10.1039/c9sc05565g","","","1.54184","CuKα","","0.0692","0.0526","","","0.132","0.1434","","","","","","1.071","","","","has coordinates","250230","2020-10-21","18:00:00",""
"1557445","5.8903","0.0003","7.8065","0.0004","11.6922","0.0006","90.458","0.003","101.223","0.003","93.037","0.003","526.52","0.05","223","","223.15","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H8 S2 -","- C14 H8 S2 -","- C28 H16 S4 -","2","1","","Wang, Chengyuan; Hashizume, Daisuke; Nakano, Masahiro; Ogaki, Takuya; Takenaka, Hiroyuki; Kawabata, Kohsuke; Takimiya, Kazuo","“Disrupt and induce” intermolecular interactions to rationally design organic semiconductor crystals: from herringbone to rubrene-like pitched π-stacking","Chemical Science","2020","11","6","1573","1580","10.1039/C9SC05902D","","","1.54187","CuKα","","0.0856","0.0689","","","0.1962","0.2081","","","","","","1.068","","","","has coordinates,has disorder","257323","2020-10-21","18:00:00",""
"1557446","7.45474","0.00015","16.2651","0.0003","6.76866","0.00016","90","","90.98","0.002","90","","820.59","0.03","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 S4 -","- C20 H14 S4 -","- C40 H28 S8 -","2","0.5","","Wang, Chengyuan; Hashizume, Daisuke; Nakano, Masahiro; Ogaki, Takuya; Takenaka, Hiroyuki; Kawabata, Kohsuke; Takimiya, Kazuo","“Disrupt and induce” intermolecular interactions to rationally design organic semiconductor crystals: from herringbone to rubrene-like pitched π-stacking","Chemical Science","2020","11","6","1573","1580","10.1039/C9SC05902D","","","0.71073","MoKα","","0.0451","0.0358","","","0.0954","0.0999","","","","","","1.076","","","","has coordinates","257323","2020-10-21","18:00:00",""
"1557447","7.6311","0.0003","17.4783","0.0007","5.2771","0.0002","90","","91.18","0.003","90","","703.7","0.05","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 S4 -","- C16 H12 S4 -","- C32 H24 S8 -","2","0.5","","Wang, Chengyuan; Hashizume, Daisuke; Nakano, Masahiro; Ogaki, Takuya; Takenaka, Hiroyuki; Kawabata, Kohsuke; Takimiya, Kazuo","“Disrupt and induce” intermolecular interactions to rationally design organic semiconductor crystals: from herringbone to rubrene-like pitched π-stacking","Chemical Science","2020","11","6","1573","1580","10.1039/C9SC05902D","","","1.54187","CuKα","","","0.0754","","","","0.2144","","","","","","1.233","","","","has coordinates","257323","2020-10-21","18:00:00",""
"1557448","9.423","0.007","10.032","0.006","11.391","0.007","90","","104.61","0.02","90","","1042","1.2","293","2","293","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H26 -","- C26 H26 -","- C52 H52 -","2","1","","Lei, Guangyue; Zhang, Hanwen; Chen, Bin; Xu, Meichen; Zhang, Guozhu","Copper-catalyzed enantioselective arylalkynylation of alkenes.","Chemical science","2020","11","6","1623","1628","10.1039/c9sc04029c","","","0.71073","MoKα","","0.1028","0.0628","","","0.1624","0.1939","","","","","","1.046","","","","has coordinates,has disorder","250233","2020-10-21","18:00:00",""
"1557449","11.0592","0.0004","12.9006","0.0003","18.7834","0.0005","98.063","0.002","91.131","0.002","103.315","0.003","2578.25","0.14","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C55 H72 Cl F3 N3 O3 P S -","- C55 H72 Cl F3 N3 O3 P S -","- C110 H144 Cl2 F6 N6 O6 P2 S2 -","2","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","1.54184","CuKα","","0.0483","0.042","","","0.1129","0.1182","","","","","","1.082","","","","has coordinates,has disorder","257364","2020-10-21","18:00:00",""
"1557450","19.16275","0.00015","13.46701","0.0001","28.2924","0.0002","90","","94.584","0.0007","90","","7277.92","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H80 Cl15 Ga3 N3 P -","- C59 H80 Cl15 Ga3 N3 P -","- C236 H320 Cl60 Ga12 N12 P4 -","4","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","1.54184","CuKα","","0.0384","0.036","","","0.0954","0.0974","","","","","","1.034","","","","has coordinates","257364","2020-10-21","18:00:00",""
"1557451","18.56527","0.00011","11.96597","0.00007","22.85445","0.00016","90","","101.614","0.0006","90","","4973.19","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H76 N3 P -","- C57 H76 N3 P -","- C228 H304 N12 P4 -","4","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","1.54184","CuKα","","0.0459","0.0419","","","0.1173","0.1215","","","","","","1.037","","","","has coordinates","257364","2020-10-21","18:00:00",""
"1557452","24.13916","0.00017","18.9021","0.00013","26.08922","0.00018","90","","90","","90","","11904","0.14","100.01","0.1","100.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H72 Cl8 Ga2 N3 P -","- C54 H72 Cl8 Ga2 N3 P -","- C432 H576 Cl64 Ga16 N24 P8 -","8","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","1.54184","CuKα","","0.0497","0.0476","","","0.1232","0.1251","","","","","","1.03","","","","has coordinates,has disorder","257364","2020-10-21","18:00:00",""
"1557453","11.5123","0.0002","12.8811","0.0002","37.2397","0.0005","90","","97.724","0.001","90","","5472.21","0.15","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Cl4 Ga N3 P -","- C54 H72 Cl4 Ga N3 P -","- C216 H288 Cl16 Ga4 N12 P4 -","4","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","0.71073","MoKα","","0.0642","0.0544","","","0.1072","0.1106","","","","","","1.174","","","","has coordinates","257364","2020-10-21","18:00:00",""
"1557454","12.5627","0.0001","15.9337","0.0002","23.6169","0.0002","90","","93.554","0.001","90","","4718.31","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 N3 P -","- C54 H72 N3 P -","- C216 H288 N12 P4 -","4","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","1.54184","CuKα","","0.0373","0.0358","","","0.0921","0.0933","","","","","","1.03","","","","has coordinates","257364","2020-10-21","18:00:00",""
"1557455","40.7612","0.0006","12.3237","0.0002","23.4798","0.0003","90","","101.398","0.001","90","","11562","0.3","100","0.13","100","0.13","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C115 H154 Cl10 Ga2 N6 P2 -","- C115 H154 Cl10 Ga2 N6 P2 -","- C460 H616 Cl40 Ga8 N24 P8 -","4","0.5","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","0.71073","MoKα","","0.0873","0.0517","","","0.1046","0.1194","","","","","","1.036","","","","has coordinates,has disorder","257364","2020-10-21","18:00:00",""
"1557456","8.3861","0.0003","11.5994","0.0004","14.05","0.0005","86.881","0.002","79.282","0.002","83.876","0.002","1334.35","0.08","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H88 Ag2 Li4 N6 O2 -","- C46 H88 Ag2 Li4 N6 O2 -","- C46 H88 Ag2 Li4 N6 O2 -","1","0.5","","Tezuka, Noriyuki; Hirano, Keiichi; Peel, Andrew J.; Wheatley, Andrew E. H.; Miyamoto, Kazunori; Uchiyama, Masanobu","Lipshutz-type bis(amido)argentates for directed ortho argentation","Chemical Science","2020","11","7","1855","1861","10.1039/C9SC06060J","","","1.54184","CuKα","","0.033","0.0272","","","0.0633","0.0673","","","","","","1.077","","","","has coordinates,has disorder","257366","2020-10-21","18:00:00",""
"1557457","22.1326","0.0005","8.3936","0.0002","22.8868","0.0006","90","","109.561","0.001","90","","4006.34","0.17","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H72 Ag2 Li2 N4 -","- C36 H72 Ag2 Li2 N4 -","- C144 H288 Ag8 Li8 N16 -","4","0.5","","Tezuka, Noriyuki; Hirano, Keiichi; Peel, Andrew J.; Wheatley, Andrew E. H.; Miyamoto, Kazunori; Uchiyama, Masanobu","Lipshutz-type bis(amido)argentates for directed ortho argentation","Chemical Science","2020","11","7","1855","1861","10.1039/C9SC06060J","","","1.54184","CuKα","","0.0345","0.0257","","","0.0517","0.0537","","","","","","1.128","","","","has coordinates,has disorder","257366","2020-10-21","18:00:00",""
"1557458","12.4986","0.0002","14.8962","0.0002","21.7554","0.0004","90","","93.742","0.002","90","","4041.82","0.11","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Ag Li N2 O3 -","- C42 H56 Ag Li N2 O3 -","- C168 H224 Ag4 Li4 N8 O12 -","4","1","","Tezuka, Noriyuki; Hirano, Keiichi; Peel, Andrew J.; Wheatley, Andrew E. H.; Miyamoto, Kazunori; Uchiyama, Masanobu","Lipshutz-type bis(amido)argentates for directed ortho argentation","Chemical Science","2020","11","7","1855","1861","10.1039/C9SC06060J","","x-ray","1.54184","CuKα","","0.0349","0.0328","","","0.1101","0.1128","","","","","","0.962","","","","has coordinates","257366","2020-10-21","18:00:00",""
"1557459","13.3743","0.0002","18.2477","0.0002","22.9463","0.0003","90","","103.316","0.002","90","","5449.49","0.13","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H84 Ag2 Li2 N4 O2 -","- C56 H84 Ag2 Li2 N4 O2 -","- C224 H336 Ag8 Li8 N16 O8 -","4","1","","Tezuka, Noriyuki; Hirano, Keiichi; Peel, Andrew J.; Wheatley, Andrew E. H.; Miyamoto, Kazunori; Uchiyama, Masanobu","Lipshutz-type bis(amido)argentates for directed ortho argentation","Chemical Science","2020","11","7","1855","1861","10.1039/C9SC06060J","","x-ray","1.54184","CuKα","","0.0397","0.0362","","","0.0944","0.0963","","","","","","1.131","","","","has coordinates","257366","2020-10-21","18:00:00",""
"1557465","6.1391","0.0001","15.1547","0.0002","11.9272","0.0002","90","","94.63","0.001","90","","1106.04","0.03","149.99","0.1","149.99","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 -","- C32 H20 -","- C64 H40 -","2","0.5","","Ma, Xiaoshuang; Tang, Zhenghua; Qin, Lubing; Peng, Jin; Li, Ligui; Chen, Shaowei","Unravelling the formation mechanism of alkynyl protected gold clusters: a case study of phenylacetylene stabilized Au<sub>144</sub> molecules.","Nanoscale","2020","12","5","2980","2986","10.1039/c9nr10930g","","x-ray","1.54184","CuKα","","0.0594","0.0558","","","0.1413","0.1479","","","","","","1.04","","","","has coordinates","248778","2020-10-21","18:00:00",""
"1557466","28.0519","0.001","28.0519","0.001","9.7811","0.0007","90","","90","","90","","7696.8","0.7","293","2","293","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C48 H16 Co3 O24 -","- C48 H16 Co3 O24 -","- C192 H64 Co12 O96 -","4","0.25","","Zhao, Juanjuan; Hu, Haibo; Wu, Mingzai","N-Doped-carbon/cobalt-nanoparticle/N-doped-carbon multi-layer sandwich nanohybrids derived from cobalt MOFs having 3D molecular structures as bifunctional electrocatalysts for on-chip solid-state Zn-air batteries.","Nanoscale","2020","12","6","3750","3762","10.1039/c9nr09779a","","","0.71073","MoKα","","0.0533","0.0477","","","0.1184","0.1213","","","","","","1.091","","","","has coordinates,has disorder","248779","2020-10-21","18:00:00",""
"1557467","10.9521","0.0009","12.1033","0.0011","12.578","0.0011","115.914","0.004","92.683","0.001","110.251","0.003","1367.6","0.2","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C61 H79 Cl N2 Pd -","- C61 H79 Cl N2 Pd -","- C61 H79 Cl N2 Pd -","1","1","","Dai, Shengyu; Li, Shuaikang; Xu, Guoyong; Wu, Cheng; Liao, Yudan; Guo, Lihua","Flexible cycloalkyl substituents in insertion polymerization with α-diimine nickel and palladium species","Polymer Chemistry","2020","11","7","1393","1400","10.1039/C9PY01901D","","","0.71073","MoKα","","0.099","0.089","","","0.2086","0.2179","","","","","","1.023","","","","has coordinates,has disorder","257946","2020-10-21","18:00:00",""
"1557468","16.631","0.0014","15.673","0.0013","22.5127","0.0019","90","","99.756","0.002","90","","5783.2","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H76 Br2 N2 Ni -","- C60 H76 Br2 N2 Ni -","- C240 H304 Br8 N8 Ni4 -","4","1","","Dai, Shengyu; Li, Shuaikang; Xu, Guoyong; Wu, Cheng; Liao, Yudan; Guo, Lihua","Flexible cycloalkyl substituents in insertion polymerization with α-diimine nickel and palladium species","Polymer Chemistry","2020","11","7","1393","1400","10.1039/C9PY01901D","","","0.71073","MoKα","","0.1412","0.0543","","","0.0789","0.0848","","","","","","1.018","","","","has coordinates,has disorder","257946","2020-10-21","18:00:00",""
"1557469","7.5349","0.0006","8.6378","0.0007","8.9921","0.0007","64.087","0.001","81.565","0.001","69.348","0.001","492.56","0.07","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- Cr H28 Na3 O22 -","- Cr H28 Na3 O22 -","- Cr H28 Na3 O22 -","1","0.5","","MIKURIYA, Masahiro; HIROSHIMA, Shuichi; KOYAMA, Yoshiki; TERADA, Keisuke; YOSHIOKA, Daisuke; MITSUHASHI, Ryoji","Preparation and Crystal Structure of Sodium Tetraperoxidochromate(V)","X-ray Structure Analysis Online","2020","36","0","3","5","10.2116/xraystruct.36.3","","","0.71073","MoKα","","0.0326","0.0277","","","0.0703","0.0722","","","","","","1.045","","","","has coordinates","258162","2020-10-21","18:00:00",""
"1557471","6.6586","0.0007","12.8635","0.0014","17.4187","0.0019","90","","99.657","0.003","90","","1470.8","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Cl6 Cu3 N16 O2 S4 -","- C10 H20 Cl6 Cu3 N16 O2 S4 -","- C20 H40 Cl12 Cu6 N32 O4 S8 -","2","0.5","","Gómez-Paz,; Carballo,; Lago,; Vázquez-López,","Metallosupramolecular Compounds Based on Copper(II/I) Chloride and Two Bis-Tetrazole Organosulfur Ligands","Chemistry","2020","2","1","33","49","10.3390/chemistry2010005","","","0.71073","MoKα","","0.0677","0.0494","","","0.1078","0.113","","","","","","1.143","","","","has coordinates","258180","2020-10-21","18:00:00",""
"1557472","6.7181","0.0005","12.9961","0.0009","12.9971","0.0009","64.067","0.002","79.492","0.002","82.134","0.002","1001.29","0.12","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H32 Cl6 Cu3 N20 O2 S4 -","- C18 H32 Cl6 Cu3 N20 O2 S4 -","- C18 H32 Cl6 Cu3 N20 O2 S4 -","1","0.5","","Gómez-Paz,; Carballo,; Lago,; Vázquez-López,","Metallosupramolecular Compounds Based on Copper(II/I) Chloride and Two Bis-Tetrazole Organosulfur Ligands","Chemistry","2020","2","1","33","49","10.3390/chemistry2010005","","","0.71073","MoKα","","0.0247","0.0209","","","0.0502","0.0514","","","","","","1.08","","","","has coordinates","258180","2020-10-21","18:00:00",""
"1557473","10.1237","0.0005","9.5414","0.0005","14.4784","0.0008","90","","93.65","0.002","90","","1395.69","0.13","100.01","","100.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Cl4 Cu4 N16 S4 -","- C12 H20 Cl4 Cu4 N16 S4 -","- C24 H40 Cl8 Cu8 N32 S8 -","2","0.5","","Gómez-Paz,; Carballo,; Lago,; Vázquez-López,","Metallosupramolecular Compounds Based on Copper(II/I) Chloride and Two Bis-Tetrazole Organosulfur Ligands","Chemistry","2020","2","1","33","49","10.3390/chemistry2010005","","","0.71073","MoKα","","0.0253","0.0212","","","0.0467","0.048","","","","","","1.081","","","","has coordinates","258180","2020-10-21","18:00:00",""
"1557474","20.3164","0.0018","6.5444","0.0006","12.8543","0.0011","90","","109.493","0.003","90","","1611.1","0.2","100.03","","100.03","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H5 Cl2 Cu N4 S -","- C3 H5 Cl2 Cu N4 S -","- C24 H40 Cl16 Cu8 N32 S8 -","8","1","","Gómez-Paz,; Carballo,; Lago,; Vázquez-López,","Metallosupramolecular Compounds Based on Copper(II/I) Chloride and Two Bis-Tetrazole Organosulfur Ligands","Chemistry","2020","2","1","33","49","10.3390/chemistry2010005","","","0.71073","MoKα","","0.0222","0.0196","","","0.0453","0.0461","","","","","","1.166","","","","has coordinates","258180","2020-10-21","18:00:00",""
"1557475","8.1042","0.0011","14.3559","0.0018","17.696","0.003","90","","103.077","0.003","90","","2005.4","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O9 Rh2 -","- C16 H22 N2 O9 Rh2 -","- C64 H88 N8 O36 Rh8 -","4","1","","Arakawa, Kazuki; Yano, Natsumi; Imasaki, Nanako; Kohara, Yoshihiro; Yatsushiro, Daiki; Atarashi, Daiki; Handa, Makoto; Kataoka, Yusuke","Coordination-Induced Self-Assembly of a Heteroleptic Paddlewheel-Type Dirhodium Complex","Crystals","2020","10","2","85","","10.3390/cryst10020085","","","0.71075","MoKα","","0.0724","0.065","","","0.148","0.1583","","","","","","1.149","","","","has coordinates","249065","2020-10-21","18:00:00",""
"1557476","13.6977","0.0004","11.9911","0.0003","21.2056","0.0005","90","","96.908","0.001","90","","3457.75","0.16","296","1","296","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4","","- C36 H46 Cl2 N3 Ru -","- C36 H46 Cl2 N3 Ru -","- C144 H184 Cl8 N12 Ru4 -","4","1","","Sivanesan, Dharmalingam; Seo, Bongkuk; Lim, Choong-Sun; Choi, Dongchen; Kim, Taehee; Kim, Hyeon-Gook","An additional potential donor-bearing alkylidene-containing latent NHC‒ruthenium-based catalyst for olefin metathesis polymerization","Polymer Chemistry","2020","11","14","2511","2518","10.1039/C9PY01952A","","","0.71073","MoKα","","0.0617","0.049","","","0.1316","0.1422","","","","","","1.055","","","","has coordinates","257945","2020-10-21","18:00:00",""
"1557477","4.1328","0.0003","4.1328","0.0003","4.1328","0.0003","90","","90","","90","","70.588","0.009","","","293","2","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Vanadium Nitride","","- N4 V4 -","- N4 V4 -","- N4 V4 -","1","0.00520833","","Sharygin, Victor V.; Ripp, German S.; Yakovlev, Grigoriy A.; Seryotkin, Yurii V.; Karmanov, Nikolai S.; Izbrodin, Ivan A.; Grokhovsky, Victor I.; Khromova, Elena A.","Uakitite, VN, a New Mononitride Mineral from Uakit Iron Meteorite (IIAB)","Minerals","2020","10","2","150","","10.3390/min10020150","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","249072","2020-10-21","18:00:00",""
"1557478","15.552","0.007","4.355","0.002","16.234","0.007","90","","107.41","0.011","90","","1049.1","0.8","125","","125","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C40 H52 N4 O16 -","4","1","","Aitken, R.; Bloomfield, Charles; McGeachie, Liam; Slawin, Alexandra","Diethyl Pyrrole-2,5-Dicarboxylate","Molbank","2020","2020","1","M1117","","10.3390/M1117","","","1.54187","CuKα","","0.0654","0.0607","","","0.1456","0.1519","","","","","","0.963","","","","has coordinates","249073","2020-10-21","18:00:00",""
"1557481","7.9299","0.0005","9.3219","0.0004","13.5862","0.0009","87.768","0.004","76.928","0.005","76.025","0.005","949.2","0.1","290.8","0.1","290.8","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 Cl N3 O2 -","- C21 H22 Cl N3 O2 -","- C42 H44 Cl2 N6 O4 -","2","1","ED5019","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","0.71073","MoKα","","0.0783","0.0567","","","0.1406","0.1544","","","","","","1.054","","","","has coordinates,has disorder","249077","2020-10-21","18:00:00",""
"1557482","7.7631","0.0006","8.025","0.0006","16.2297","0.0012","101.784","0.006","98.374","0.006","90.687","0.006","978.32","0.13","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Cl N3 O3 -","- C21 H24 Cl N3 O3 -","- C42 H48 Cl2 N6 O6 -","2","1","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","1.54184","CuKα","","0.0583","0.0495","","","0.1406","0.1551","","","","","","1.047","","","","has coordinates","249077","2020-10-21","18:00:00",""
"1557483","10.8864","0.0007","12.2705","0.0007","13.7811","0.001","106.966","0.006","105.782","0.006","103.324","0.005","1595.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H34 Cl2 N4 O4 -","- C35 H34 Cl2 N4 O4 -","- C70 H68 Cl4 N8 O8 -","2","1","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","0.71073","MoKα","","0.106","0.0755","","","0.1831","0.2038","","","","","","1.058","","","","has coordinates,has disorder","249077","2020-10-21","18:00:00",""
"1557484","6.7049","0.0003","7.2778","0.0003","14.163","0.0006","77.167","0.004","79.908","0.003","65.487","0.004","610.42","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C28 H24 Cl2 N2 O4 -","2","1","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","0.71073","MoKα","","0.0842","0.0792","","","0.2157","0.2204","","","","","","1.06","","","","has coordinates","249077","2020-10-21","18:00:00",""
"1557485","10.4803","0.0006","11.8423","0.0009","13.3309","0.0008","94.335","0.005","95.883","0.005","102.871","0.006","1596.16","0.19","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 Cl N2 O3 -","- C17 H19 Cl N2 O3 -","- C68 H76 Cl4 N8 O12 -","4","2","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","0.71073","MoKα","","0.0786","0.0527","","","0.1072","0.1202","","","","","","1.042","","","","has coordinates","249077","2020-10-21","18:00:00",""
"1557486","7.7575","0.0008","9.4727","0.0007","13.3076","0.0013","87.515","0.007","78.596","0.008","74.174","0.008","922.2","0.15","100.02","0.1","100.02","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N3 O2 -","- C22 H25 N3 O2 -","- C44 H50 N6 O4 -","2","1","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","0.71073","MoKα","","0.0779","0.0621","","","0.1269","0.1361","","","","","","1.104","","","","has coordinates,has disorder","249077","2020-10-21","18:00:00",""
"1557487","7.7248","0.0003","8.0592","0.0003","16.2531","0.0007","101.711","0.004","98.743","0.004","90.16","0.003","978.68","0.07","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N3 O3 -","- C22 H27 N3 O3 -","- C44 H54 N6 O6 -","2","1","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","0.71073","MoKα","","0.0418","0.0379","","","0.0937","0.0962","","","","","","1.035","","","","has coordinates","249077","2020-10-21","18:00:00",""
"1557488","10.7678","0.0008","11.9673","0.001","13.786","0.0011","106.152","0.007","105.842","0.007","103.49","0.007","1546.9","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C37 H40 N4 O4 -","- C37 H40 N4 O4 -","- C74 H80 N8 O8 -","2","1","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","1.54184","CuKα","","0.0807","0.0637","","","0.1701","0.1862","","","","","","1.036","","","","has coordinates,has disorder","249077","2020-10-21","18:00:00",""
"1557490","8.0498","0.0006","9.9049","0.0008","12.4534","0.0006","90","","90.098","0.006","90","","992.94","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr K N2 O12 -","- C10 H22 Cr K N2 O12 -","- C20 H44 Cr2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci","Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00372","","","0.41115","synchrotron","","0.0976","0.063","","","0.1644","0.2113","","","","","","1.108","","","","has coordinates","249096","2020-10-21","18:00:00",""
"1557491","7.99891","0.00019","9.797","0.0003","12.3355","0.0002","90","","90.182","0.002","90","","966.67","0.04","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr K N2 O12 -","- C10 H22 Cr K N2 O12 -","- C20 H44 Cr2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci","Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00372","","","0.41115","synchrotron","","0.0769","0.0533","","","0.1451","0.1813","","","","","","1.101","","","","has coordinates","249096","2020-10-21","18:00:00",""
"1557492","7.99","0.0005","9.7226","0.0006","12.2765","0.0005","90","","90.24","0.005","90","","953.67","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr K N2 O12 -","- C10 H22 Cr K N2 O12 -","- C20 H44 Cr2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci","Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00372","","","0.41115","synchrotron","","0.0897","0.0609","","","0.1701","0.2129","","","","","","1.128","","","","has coordinates","249096","2020-10-21","18:00:00",""
"1557493","8.3247","0.0017","8.8916","0.0015","12.3381","0.0014","90","","87.379","0.011","90","","912.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr K N2 O12 -","- C10 H22 Cr K N2 O12 -","- C20 H44 Cr2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci","Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00372","","","0.41115","synchrotron","","0.1217","0.0675","","","0.1717","0.2293","","","","","","0.981","","","","has coordinates","249096","2020-10-21","18:00:00",""
"1557494","8.3142","0.001","8.7604","0.0008","12.3106","0.0008","90","","87.386","0.007","90","","895.72","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr K N2 O12 -","- C10 H22 Cr K N2 O12 -","- C20 H44 Cr2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci","Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00372","","","0.41115","synchrotron","","0.1156","0.068","","","0.1775","0.2304","","","","","","1.072","","","","has coordinates","249096","2020-10-21","18:00:00",""
"1557495","8.3001","0.0007","8.6881","0.0007","12.2807","0.0008","90","","87.539","0.006","90","","884.77","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr K N2 O12 -","- C10 H22 Cr K N2 O12 -","- C20 H44 Cr2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci","Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00372","","","0.41115","synchrotron","","0.136","0.075","","","0.1955","0.2548","","","","","","1.136","","","","has coordinates","249096","2020-10-21","18:00:00",""
"1557496","8.2715","0.0015","8.5665","0.0013","12.2416","0.0015","90","","87.76","0.013","90","","866.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr K N2 O12 -","- C10 H22 Cr K N2 O12 -","- C20 H44 Cr2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci","Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00372","","","0.41115","synchrotron","","0.1794","0.1273","","","0.3347","0.3849","","","","","","1.799","","","","has coordinates","249096","2020-10-21","18:00:00",""
"1557497","8.2602","0.0003","8.4583","0.0004","12.225","0.004","90","","87.413","0.011","90","","853.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr K N2 O12 -","- C10 H22 Cr K N2 O12 -","- C20 H44 Cr2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci","Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00372","","","0.41115","synchrotron","","0.1067","0.0738","","","0.1969","0.2448","","","","","","1.315","","","","has coordinates","249096","2020-10-21","18:00:00",""
"1557498","8.2348","0.0007","8.2099","0.0009","12.359","0.008","90","","94.507","0.017","90","","833","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr K N2 O12 -","- C10 H22 Cr K N2 O12 -","- C20 H44 Cr2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci","Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00372","","","0.41115","synchrotron","","0.1457","0.1047","","","0.2983","0.3379","","","","","","1.883","","","","has coordinates","249096","2020-10-21","18:00:00",""
"1557499","8.2036","0.001","8.1487","0.0012","12.344","0.012","90","","94.74","0.03","90","","822.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr K N2 O12 -","- C10 H22 Cr K N2 O12 -","- C20 H44 Cr2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci","Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00372","","","0.41115","synchrotron","","0.1393","0.1099","","","0.2931","0.3263","","","","","","1.937","","","","has coordinates","249096","2020-10-21","18:00:00",""
"1557500","8.141","0.0017","8.0477","0.0015","12.355","0.015","90","","94.93","0.04","90","","806.5","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr K N2 O12 -","- C10 H22 Cr K N2 O12 -","- C20 H44 Cr2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci","Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00372","","","0.41115","synchrotron","","0.1713","0.1207","","","0.3023","0.3404","","","","","","1.894","","","","has coordinates","249096","2020-10-21","18:00:00",""
"1557501","11.5406","0.0002","18.5416","0.0003","18.7269","0.0003","90","","90","","90","","4007.2","0.11","123","","123","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Br2 F6 N4 O6 P2 Pt S2 -","- C30 H34 Br2 F6 N4 O6 P2 Pt S2 -","- C120 H136 Br8 F24 N16 O24 P8 Pt4 S8 -","4","1","","Marumoto, Manabu; Sotani, Taichi; Miyagi, Yu; Yajima, Tatsuo; Sano, Natsuhiro; Sanda, Fumio","Synthesis of Platinum-Containing Conjugated Polymers Having QuinoxP* and Bipyridine Ligands. Chirality Transfer from the Phosphine Ligand to the Polymer Backbone","Macromolecules","2020","53","6","2031","2038","10.1021/acs.macromol.0c00096","","","0.71075","MoKα","","0.0303","0.0273","","","0.0629","0.0642","","","","","","1.02","","","","has coordinates","257166","2020-10-21","18:00:00",""
"1557502","10.7583","0.0004","20.7341","0.0005","12.2345","0.0005","90","","101.16","0.004","90","","2677.47","0.17","103","","103","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl6 Fe2 N2 O12 -","- C42 H56 Cl6 Fe2 N2 O12 -","- C84 H112 Cl12 Fe4 N4 O24 -","2","0.5","","Chen, Jian; Sekine, Yoshihiro; Okazawa, Atsushi; Sato, Hiroyasu; Kosaka, Wataru; Miyasaka, Hitoshi","Chameleonic layered metal‒organic frameworks with variable charge-ordered states triggered by temperature and guest molecules","Chemical Science","2020","11","14","3610","3618","10.1039/D0SC00684J","","","0.71073","MoKα","","0.0566","0.0413","","","0.0901","0.0959","","","","","","1.084","","","","has coordinates","257351","2020-10-21","18:00:00",""
"1557503","10.866","0.001","21.1945","0.0018","12.2707","0.0009","90","","101.413","0.008","90","","2770.1","0.4","335","","335","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl6 Fe2 N2 O12 -","- C42 H56 Cl6 Fe2 N2 O12 -","- C84 H112 Cl12 Fe4 N4 O24 -","2","0.5","","Chen, Jian; Sekine, Yoshihiro; Okazawa, Atsushi; Sato, Hiroyasu; Kosaka, Wataru; Miyasaka, Hitoshi","Chameleonic layered metal‒organic frameworks with variable charge-ordered states triggered by temperature and guest molecules","Chemical Science","2020","11","14","3610","3618","10.1039/D0SC00684J","","","1.54184","CuKα","","0.1498","0.0699","","","0.176","0.2218","","","","","","0.982","","","","has coordinates","257351","2020-10-21","18:00:00",""
"1557504","10.874","0.0009","20.9284","0.0016","12.2372","0.0008","90","","101.859","0.007","90","","2725.4","0.4","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl6 Fe2 N2 O12 -","- C42 H56 Cl6 Fe2 N2 O12 -","- C84 H112 Cl12 Fe4 N4 O24 -","2","0.5","","Chen, Jian; Sekine, Yoshihiro; Okazawa, Atsushi; Sato, Hiroyasu; Kosaka, Wataru; Miyasaka, Hitoshi","Chameleonic layered metal‒organic frameworks with variable charge-ordered states triggered by temperature and guest molecules","Chemical Science","2020","11","14","3610","3618","10.1039/D0SC00684J","","","1.54184","CuKα","","0.1177","0.0639","","","0.1583","0.1899","","","","","","1.012","","","","has coordinates","257351","2020-10-21","18:00:00",""
"1557505","10.9375","0.0009","21.278","0.0015","12.2835","0.0007","90","","100.818","0.006","90","","2807.9","0.3","380","","380","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl6 Fe2 N2 O12 -","- C42 H56 Cl6 Fe2 N2 O12 -","- C84 H112 Cl12 Fe4 N4 O24 -","2","0.5","","Chen, Jian; Sekine, Yoshihiro; Okazawa, Atsushi; Sato, Hiroyasu; Kosaka, Wataru; Miyasaka, Hitoshi","Chameleonic layered metal‒organic frameworks with variable charge-ordered states triggered by temperature and guest molecules","Chemical Science","2020","11","14","3610","3618","10.1039/D0SC00684J","","","1.54184","CuKα","","0.1831","0.0743","","","0.1784","0.2334","","","","","","0.996","","","","has coordinates","257351","2020-10-21","18:00:00",""
"1557506","14.987","0.003","16.858","0.003","17.478","0.004","116.53","0.03","107.31","0.03","93.21","0.03","3679","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H104 Cu4 N8 O20 -","- C140 H104 Cu4 N8 O20 -","- C140 H104 Cu4 N8 O20 -","1","0.5","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","","0.71073","Synchrotron","","0.0511","0.0431","","","0.1265","0.1324","","","","","","1.027","","","","has coordinates","257356","2020-10-21","18:00:00",""
"1557507","13.914","0.003","20.891","0.004","21.446","0.004","71.94","0.03","87.87","0.03","81.2","0.03","5857","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C218 H138 Cu8 N6 O48 -","- C218 H138 Cu8 N6 O48 -","- C218 H138 Cu8 N6 O48 -","1","0.5","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","","0.71073","Synchrotron","","0.0644","0.0525","","","0.1555","0.1633","","","","","","1.139","","","","has coordinates,has disorder","257356","2020-10-21","18:00:00",""
"1557508","14.0177","0.0005","28.7314","0.0008","17.0738","0.0006","90","","110.611","0.004","90","","6436.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C116 H84 Cu4 N4 O24 -","- C116 H84 Cu4 N4 O24 -","- C232 H168 Cu8 N8 O48 -","2","0.5","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","","0.71073","MoKα","","0.0879","0.055","","","0.1362","0.1518","","","","","","1.028","","","","has coordinates,has disorder","257356","2020-10-21","18:00:00",""
"1557509","25.8186","0.0007","22.6806","0.0006","27.2079","0.0006","90","","109.69","0.003","90","","15000.9","0.7","150","2","150","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C53 H31 Cu2 N O12 -","- C53 H31 Cu2 N O12 -","- C424 H248 Cu16 N8 O96 -","8","1","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","x-ray","0.71073","MoKα","","0.1244","0.0758","","","0.2011","0.2289","","","","","","1.035","","","","has coordinates,has disorder","257356","2020-10-21","18:00:00",""
"1557510","19.687","0.004","28.163","0.006","10.475","0.002","90","","97.91","0.03","90","","5753","2","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C106 H60 Cu4 O24 -","- C106 H60 Cu4 O24 -","- C212 H120 Cu8 O48 -","2","0.25","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","","0.71073","Synchrotron","","0.0469","0.0429","","","0.1188","0.1216","","","","","","1.054","","","","has coordinates","257356","2020-10-21","18:00:00",""
"1557511","14.151","0.003","32.563","0.007","26.766","0.005","90","","102.26","0.03","90","","12052","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H72 Cu4 O24 S4 -","- C108 H72 Cu4 O24 S4 -","- C432 H288 Cu16 O96 S16 -","4","0.5","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","","0.71073","Synchrotron","","0.0892","0.0714","","","0.2226","0.2406","","","","","","1.053","","","","has coordinates,has disorder","257356","2020-10-21","18:00:00",""
"1557512","20.979","0.004","21.168","0.004","23.76","0.005","90","","108.37","0.03","90","","10014","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C168 H124 Cu4 N12 O20 -","- C168 H124 Cu4 N12 O20 -","- C336 H248 Cu8 N24 O40 -","2","0.5","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","","0.71073","Synchrotron","","0.1807","0.122","","","0.3456","0.3929","","","","","","1.024","","","","has coordinates","257356","2020-10-21","18:00:00",""
"1557513","8.613","0.0019","17.7","0.008","9.511","0.002","90","","90","","90","","1450","0.8","173","0.1","173","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H21 N2 O0.1 P -","- C16 H21 N2 O0.1 P -","- C64 H84 N8 O0.4 P4 -","4","0.5","","Zhang, Jingjing; Yang, Jin-Dong; Cheng, Jin-Pei","Diazaphosphinanes as hydride, hydrogen atom, proton or electron donors under transition-metal-free conditions: thermodynamics, kinetics, and synthetic applications","Chemical Science","2020","11","14","3672","3679","10.1039/C9SC05883D","","x-ray","1.54184","CuKα","","0.1359","0.1192","","","0.3078","0.3238","","","","","","1.152","","","","has coordinates,has disorder","257354","2020-10-21","18:00:00",""
"1557514","7.0581","0.0005","11.6424","0.0007","9.2407","0.0006","90","","103.046","0.007","90","","739.74","0.09","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C7 H3 K N O4 -","- C7 H3 K N O4 -","- C28 H12 K4 N4 O16 -","4","0.5","","Li, Chao; Wang, Kuaibing; Li, Jingze; Zhang, Qichun","Nanostructured potassium-organic framework as an effective anode for potassium-ion batteries with a long cycle life.","Nanoscale","2020","12","14","7870","7874","10.1039/d0nr00964d","","","0.71073","MoKα","","0.0413","0.0348","","","0.0916","0.0984","","","","","","1.212","","","","has coordinates","251678","2020-10-21","18:00:00",""
"1557515","11.098","0.002","11.0981","0.0009","42.151","0.008","91.082","0.009","97.39","0.01","115.846","0.008","4617.1","1.3","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C102 H110 Li4 N6 O18 -","- C102 H110 Li4 N6 O18 -","- C204 H220 Li8 N12 O36 -","2","1","","Rodríguez-Fortea, Antonio; Canadell, Enric; Wzietek, Pawel; Lemouchi, Cyprien; Allain, Magali; Zorina, Leokadiya; Batail, Patrick","Nanoscale rotational dynamics of four independent rotators confined in crowded crystalline layers.","Nanoscale","2020","12","15","8294","8302","10.1039/d0nr00858c","","x-ray","0.71073","MoKα","","0.1252","0.0735","","","0.1832","0.2109","","","","","","1.013","","","","has coordinates,has disorder","251679","2020-10-21","18:00:00",""
"1557516","9.4559","0.0003","12.8405","0.0004","8.9638","0.0003","90","","111.445","0.001","90","","1013.02","0.06","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,5-Tetrahydronaphtho[2,1-<i>c</i>]oxepine","","- C14 H14 O -","- C14 H14 O -","- C56 H56 O4 -","4","1","HB4340","Lough, Alan J.; Pounder, Austin; Wicks, Christopher; Tam, William","1,2,3,5-Tetrahydronaphtho[2,1-<i>c</i>]oxepine","IUCrData","2020","5","3","x200288","","10.1107/S2414314620002886","","","0.71073","MoKα","","0.0413","0.035","","","0.093","0.0996","","","","","","1.065","","","","has coordinates,has Fobs","249118","2020-10-21","18:00:00",""
"1557517","9.3106","0.0011","8.7232","0.0008","13.4776","0.0012","90","","91.959","0.008","90","","1093.99","0.19","193","2","193","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Nonacyclo[9.7.7.7^2,10^.0^1,11^.0^2,10^.0^3,8^.0^12,17^.0^19,24^.0^26,31^]dotriaconta-3,5,7,12,14,16,19,21,23,26,28,30-dodecaene","","- C32 H24 -","- C32 H24 -","- C64 H48 -","2","0.5","RZ4037","Detert, Heiner; Jacobs, Nina; Schollmeyer, Dieter","The head-to-head photodimer of indenoindene","IUCrData","2020","5","3","x200307","","10.1107/S2414314620003077","","","0.71073","MoKα","","0.1164","0.0607","","","0.1665","0.196","","","","","","0.973","","","","has coordinates,has Fobs","249119","2020-10-21","18:00:00",""
"1557518","9.4802","0.0003","14.9824","0.0007","18.6565","0.0007","90","","90","","90","","2649.9","0.18","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","12-Ethyl-6a,10a-dihydro-5<i>H</i>-6-oxachrysene","","- C19 H16 O -","- C19 H16 O -","- C152 H128 O8 -","8","1","HB4339","Lough, Alan J.; Pounder, Austin; Tam, William","12-Ethyl-6a,10a-dihydro-5<i>H</i>-6-oxachrysene","IUCrData","2020","5","3","x200286","","10.1107/S2414314620002862","","","0.71073","MoKα","","0.0511","0.0382","","","0.0918","0.1006","","","","","","1.042","","","","has coordinates,has Fobs","249120","2020-10-21","18:00:00",""
"1557519","16.7781","0.0017","16.3902","0.0018","4.7894","0.0005","90","","90","","90","","1317.1","0.2","293","1","293","1","","","","","","","","4","P m n 21","P 2ac -2","31","","Tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine methanol trisolvate","","- C27 H33 N7 O3 -","- C27 H33 N7 O3 -","- C54 H66 N14 O6 -","2","0.5","GG4004","Anzaldo-Olivares, Bertin; Arroyo, Maribel; Ramírez-Monroy, Armando; Bernès, Sylvain","Tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine methanol trisolvate","IUCrData","2020","5","3","x200281","","10.1107/S2414314620002813","","x-ray","0.71073","MoKα","","0.0928","0.048","","","0.0843","0.1007","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","249121","2020-10-21","18:00:00",""
"1557522","7.72414","0.00016","9.75163","0.00017","26.1754","0.0004","90","","90","","90","","1971.61","0.06","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O11 -","- C19 H20 O11 -","- C76 H80 O44 -","4","1","","Yang, Zi-Ni; Su, Bao-Jun; Wang, Ya-Qi; Liao, Hai-Bing; Chen, Zhen-Feng; Liang, Dong","Isolation, Absolute Configuration, and Biological Activities of Chebulic Acid and Brevifolincarboxylic Acid Derivatives from Euphorbia hirta","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00877","","x-ray","1.54184","CuKα","","0.0383","0.0379","","","0.1003","0.1008","","","","","","1.07","","","","has coordinates","249148","2020-10-21","18:00:00",""
"1557523","8.1135","0.001","9.1532","0.0013","11.5337","0.0014","79.165","0.011","79.443","0.01","80.1","0.011","818.61","0.19","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O9 -","- C17 H16 O9 -","- C34 H32 O18 -","2","1","","Yang, Zi-Ni; Su, Bao-Jun; Wang, Ya-Qi; Liao, Hai-Bing; Chen, Zhen-Feng; Liang, Dong","Isolation, Absolute Configuration, and Biological Activities of Chebulic Acid and Brevifolincarboxylic Acid Derivatives from Euphorbia hirta","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00877","","x-ray","1.54184","CuKα","","0.0815","0.07","","","0.1822","0.1886","","","","","","1.045","","","","has coordinates","249149","2020-10-21","18:00:00",""
"1557524","8.40725","0.00014","9.73467","0.00014","25.8797","0.0004","90","","90","","90","","2118.04","0.06","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O11 -","- C20 H24 O11 -","- C80 H96 O44 -","4","1","","Yang, Zi-Ni; Su, Bao-Jun; Wang, Ya-Qi; Liao, Hai-Bing; Chen, Zhen-Feng; Liang, Dong","Isolation, Absolute Configuration, and Biological Activities of Chebulic Acid and Brevifolincarboxylic Acid Derivatives from Euphorbia hirta","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00877","","x-ray","1.54184","CuKα","","0.0355","0.033","","","0.0825","0.0838","","","","","","1.126","","","","has coordinates","249150","2020-10-21","18:00:00",""
"1557525","9.1273","0.0005","9.5041","0.0006","12.0575","0.0009","107.857","0.006","90.985","0.005","111.419","0.005","916.9","0.12","200","0.1","200","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O11 -","- C18 H18 O11 -","- C36 H36 O22 -","2","1","","Yang, Zi-Ni; Su, Bao-Jun; Wang, Ya-Qi; Liao, Hai-Bing; Chen, Zhen-Feng; Liang, Dong","Isolation, Absolute Configuration, and Biological Activities of Chebulic Acid and Brevifolincarboxylic Acid Derivatives from Euphorbia hirta","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00877","","x-ray","0.71073","MoKα","","0.0612","0.0467","","","0.107","0.116","","","","","","1.042","","","","has coordinates","249151","2020-10-21","18:00:00",""
"1557526","7.624","0.0002","9.8567","0.0003","26.9415","0.0015","90","","90","","90","","2024.59","0.14","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O11 -","- C20 H22 O11 -","- C80 H88 O44 -","4","1","","Yang, Zi-Ni; Su, Bao-Jun; Wang, Ya-Qi; Liao, Hai-Bing; Chen, Zhen-Feng; Liang, Dong","Isolation, Absolute Configuration, and Biological Activities of Chebulic Acid and Brevifolincarboxylic Acid Derivatives from Euphorbia hirta","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00877","","x-ray","1.54184","CuKα","","0.0474","0.0366","","","0.0815","0.0854","","","","","","0.972","","","","has coordinates","249152","2020-10-21","18:00:00",""
"1557527","17.5499","0.0006","9.7031","0.0004","8.6354","0.0003","90","","95.615","0.003","90","","1463.45","0.09","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O10 -","- C15 H16 O10 -","- C60 H64 O40 -","4","1","","Yang, Zi-Ni; Su, Bao-Jun; Wang, Ya-Qi; Liao, Hai-Bing; Chen, Zhen-Feng; Liang, Dong","Isolation, Absolute Configuration, and Biological Activities of Chebulic Acid and Brevifolincarboxylic Acid Derivatives from Euphorbia hirta","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00877","","x-ray","1.54184","CuKα","","0.0487","0.042","","","0.1122","0.1157","","","","","","1.002","","","","has coordinates","249153","2020-10-21","18:00:00",""
"1557528","13.126","0.004","25.198","0.007","30.034","0.008","113.698","0.004","101.194","0.004","90.634","0.004","8879","4","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C39 H72 Cd Mo12 N6 O68 P8 Zn2 -","- C39 H54 Cd Mo12 N6 O62 P8 Zn2 -","- C156 H216 Cd4 Mo48 N24 O248 P32 Zn8 -","4","2","","Tian, Xuerui; Zhang, Yaqi; Ma, Yuanyuan; Zhao, Qing; Han, Zhangang","Hourglass-type polyoxometalate-based crystalline materials as efficient cooperating photocatalysts for the reduction of Cr(vi) and oxidation of dyes","Catalysis Science & Technology","2020","10","8","2593","2601","10.1039/D0CY00208A","","","0.71073","MoKα","","0.0798","0.0601","","","0.1644","0.1838","","","","","","1.044","","","","has coordinates","257209","2020-10-21","18:00:00",""
"1557529","21.0842","0.0006","18.3743","0.0005","21.9022","0.0006","90","","100.716","0.003","90","","8337.1","0.4","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Cd1.2 Co0.8 Mo12 N4 Na4 O69 P8 -","- C26 H24 Cd1.2 Co0.8 Mo12 N4 Na4 O69 P8 -","- C104 H96 Cd4.8 Co3.2 Mo48 N16 Na16 O276 P32 -","4","0.5","","Tian, Xuerui; Zhang, Yaqi; Ma, Yuanyuan; Zhao, Qing; Han, Zhangang","Hourglass-type polyoxometalate-based crystalline materials as efficient cooperating photocatalysts for the reduction of Cr(vi) and oxidation of dyes","Catalysis Science & Technology","2020","10","8","2593","2601","10.1039/D0CY00208A","","","0.71073","MoKα","","0.0494","0.0429","","","0.1165","0.1205","","","","","","1.039","","","","has coordinates,has disorder","257209","2020-10-21","18:00:00",""
"1557530","15.882","0.0018","21.676","0.002","25.338","0.003","90","","94.559","0.002","90","","8695.2","1.6","296","2","296","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C65 H116 Al2 Cd2 Mo24 N10 O137 P16 -","- C65 H86 Al2 Cd2 Mo24 N10 O137 P16 -","- C130 H172 Al4 Cd4 Mo48 N20 O274 P32 -","2","1","","Tian, Xuerui; Zhang, Yaqi; Ma, Yuanyuan; Zhao, Qing; Han, Zhangang","Hourglass-type polyoxometalate-based crystalline materials as efficient cooperating photocatalysts for the reduction of Cr(vi) and oxidation of dyes","Catalysis Science & Technology","2020","10","8","2593","2601","10.1039/D0CY00208A","","","0.71073","MoKα","","0.0374","0.0334","","","0.0883","0.0925","","","","","","1.057","","","","has coordinates,has disorder","257209","2020-10-21","18:00:00",""
"1557531","13.699","0.0007","13.699","0.0007","9.5293","0.0005","90","","90","","90","","1788.29","0.16","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C21 Al F36 N O10 W -","- C21 Al F36 N O10 W -","- C42 Al2 F72 N2 O20 W2 -","2","0.25","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0236","0.0235","","","0.0734","0.0735","","","","","","1.126","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557532","17.285","0.003","17.285","0.003","17.285","0.003","90","","90","","90","","5164.3","1.6","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C30 Al2 F55 Mo O12 -","- C30 Al2 F55 Mo O12 -","- C120 Al8 F220 Mo4 O48 -","4","0.166667","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0671","0.0537","","","0.1469","0.1549","","","","","","1.191","","","","has coordinates,has disorder","257353","2020-10-21","18:00:00",""
"1557533","13.759","0.0006","13.759","0.0006","9.5821","0.0007","90","","90","","90","","1813.99","0.17","373","2","373","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C22 Al F36 Mo O10 -","- C22 Al F36 Mo O10 -","- C44 Al2 F72 Mo2 O20 -","2","0.25","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0412","0.038","","","0.0932","0.0951","","","","","","1.114","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557534","17.3168","0.0003","17.3168","0.0003","17.3168","0.0003","90","","90","","90","","5192.82","0.16","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C30 Al2 F55 O12 W -","- C30 Al2 F55 O12 W -","- C120 Al8 F220 O48 W4 -","4","0.166667","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0822","0.0762","","","0.1448","0.1474","","","","","","1.375","","","","has coordinates,has disorder","257353","2020-10-21","18:00:00",""
"1557535","13.7152","0.0003","13.7152","0.0003","9.5418","0.0003","90","","90","","90","","1794.88","0.08","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C21 Al F36 Mo N O10 -","- C21 Al F36 Mo N O10 -","- C42 Al2 F72 Mo2 N2 O20 -","2","0.25","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0242","0.0226","","","0.0555","0.0565","","","","","","1.029","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557536","11.5888","0.0008","11.5986","0.0008","12.7755","0.0008","82.965","0.002","67.136","0.002","87.863","0.002","1570.27","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 Al2 F73 O12 W -","- C36 Al2 F73 O12 W -","- C36 Al2 F73 O12 W -","1","0.5","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0274","0.0242","","","0.0532","0.0548","","","","","","0.993","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557537","11.3269","0.0006","12.2795","0.0006","23.4349","0.0011","76.883","0.001","86.161","0.001","66.485","0.001","2909.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 Al2 Cl3 F55 O14 W2 -","- C32 Al2 Cl3 F55 O14 W2 -","- C64 Al4 Cl6 F110 O28 W4 -","2","1","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.026","0.019","","","0.0382","0.0406","","","","","","1.034","","","","has coordinates,has disorder","257353","2020-10-21","18:00:00",""
"1557538","13.9703","0.0004","28.8124","0.0009","20.6169","0.0006","90","","90.443","0.001","90","","8298.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 Al2 F72 I3 Mo3 O22 -","- C46 Al2 F72 I3 Mo3 O22 -","- C184 Al8 F288 I12 Mo12 O88 -","4","1","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0418","0.034","","","0.0837","0.0884","","","","","","1.06","","","","has coordinates,has disorder","257353","2020-10-21","18:00:00",""
"1557539","10.5119","0.0007","12.5617","0.0008","21.1226","0.0015","85.595","0.002","76.545","0.003","78.485","0.002","2656.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 Al2 F55 I O12 W -","- C30 Al2 F55 I O12 W -","- C60 Al4 F110 I2 O24 W2 -","2","1","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0615","0.0424","","","0.0867","0.0933","","","","","","1.061","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557540","15.848","0.003","17.229","0.003","22.395","0.004","94.072","0.003","102.24","0.003","101.653","0.003","5811.1","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 Al4 F128 O26 W2 -","- C68.004 Al4 F128.009 O26.001 W2 -","- C136.008 Al8 F256.018 O52.002 W4 -","2","1","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0519","0.0303","","","0.0611","0.0698","","","","","","1.018","","","","has coordinates,has disorder","257353","2020-10-21","18:00:00",""
"1557541","16.438","0.0006","28.3511","0.001","17.5878","0.0006","90","","110.764","0.002","90","","7664.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 Al F36 I O10 W -","- C22 Al F36 I O10 W -","- C176 Al8 F288 I8 O80 W8 -","8","2","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0503","0.0427","","","0.1162","0.1208","","","","","","1.054","","","","has coordinates","274176","2022-03-31","10:10:29",""
"1557542","13.385","0.0011","21.4285","0.0017","31.305","0.003","85.822","0.003","81.782","0.003","83.84","0.003","8820.3","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 Al6 F165 I6 Mo6 O42 -","- C96 Al6 F165 I6 Mo6 O42 -","- C192 Al12 F330 I12 Mo12 O84 -","2","1","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.1007","0.0698","","","0.1668","0.1822","","","","","","1.102","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557543","16.2198","0.0007","10.77","0.0006","28.9971","0.0015","90","","96.1","0.004","90","","5036.7","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C57 H88 N2 O -","- C57 H88 N2 O -","- C228 H352 N8 O4 -","4","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","1.54184","CuKα","","0.1485","0.0785","","","0.1626","0.1945","","","","","","1.012","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557544","12.8246","0.0002","21.5786","0.0003","24.2161","0.0003","90","","103.493","0.001","90","","6516.52","0.16","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C71 H94 Mg2 N8 -","- C71 H94 Mg2 N8 -","- C284 H376 Mg8 N32 -","4","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","0.71073","MoKα","","0.0565","0.0518","","","0.1362","0.1398","","","","","","1.048","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557545","12.4858","0.0002","12.0704","0.0002","31.1338","0.0005","90","","92.762","0.001","90","","4686.68","0.13","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H60 Mg2 N6 -","- C49 H60 Mg2 N6 -","- C196 H240 Mg8 N24 -","4","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","1.54184","CuKα","","0.0717","0.0634","","","0.1522","0.1572","","","","","","1.038","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557546","18.2067","0.0001","26.3297","0.0001","25.8355","0.0002","90","","105.806","0.001","90","","11916.7","0.14","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C137.5 H189.63 I0.04 Mg2 N4 O0.13 -","- C137.5 H189.63 I0.034 Mg2 N4 O0.13 -","- C550 H758.52 I0.136 Mg8 N16 O0.52 -","4","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","1.54184","CuKα","","0.0774","0.0679","","","0.1816","0.1881","","","","","","1.048","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557547","15.1058","0.0002","19.0783","0.0002","20.0582","0.0002","85.762","0.001","88.909","0.001","66.998","0.001","5306.17","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C117 H144 Mg4 N12 O4 -","- C117 H144 Mg4 N12 O4 -","- C234 H288 Mg8 N24 O8 -","2","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","1.54184","CuKα","","0.0672","0.0593","","","0.1696","0.1771","","","","","","1.026","","","","has coordinates","257347","2020-10-21","18:00:00",""
"1557548","18.7699","0.0003","15.7829","0.0002","22.8274","0.0004","90","","109.172","0.002","90","","6387.4","0.19","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H86 Mg2 N8 -","- C70 H86 Mg2 N8 -","- C280 H344 Mg8 N32 -","4","0.5","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","0.71073","MoKα","","0.0425","0.04","","","0.1086","0.1105","","","","","","1.046","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557549","18.7194","0.0002","11.3129","0.0001","26.0645","0.0003","90","","103.791","0.001","90","","5360.57","0.1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H76 Mg2 N6 -","- C57 H76 Mg2 N6 -","- C228 H304 Mg8 N24 -","4","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","1.54184","CuKα","","0.0583","0.0505","","","0.1395","0.1504","","","","","","1.085","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557550","10.437","0.0002","14.8235","0.0004","18.7188","0.0005","84.547","0.002","75.886","0.002","71.426","0.002","2661.85","0.12","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H87 I Mg N2 O -","- C57 H87 I Mg N2 O -","- C114 H174 I2 Mg2 N4 O2 -","2","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","0.71073","MoKα","","0.0451","0.0375","","","0.0951","0.0994","","","","","","1.049","","","","has coordinates","257347","2020-10-21","18:00:00",""
"1557551","17.919","0.0006","19.6004","0.0009","20.9467","0.0007","79.292","0.003","75.685","0.003","86.86","0.003","7004","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C151 H208 Mg4 N12 O6 -","- C151 H208 Mg4 N12 O6 -","- C302 H416 Mg8 N24 O12 -","2","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","1.54184","CuKα","","0.1648","0.09","","","0.255","0.3129","","","","","","1.042","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557552","15.48","0.003","15.114","0.003","27.505","0.006","90","","103.08","0.03","90","","6268","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C134 H184 Mg4 N12 O12 -","- C102 H120 Mg4 N12 O4 -","- C204 H240 Mg8 N24 O8 -","2","0.5","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","0.7109","Synchrotron","","0.2102","0.1035","","","0.2942","0.3675","","","","","","1.012","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557553","10.85","0.002","31.002","0.006","11.243","0.002","90","","96.637","0.003","90","","3756.5","1.2","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","cis-1,4-bis(4-iodophenyl)cyclohex-2-ene-1,4-diol","","- C145 H133 Cl3 I16 O18 -","- C145 H133 Cl3 I16 O18 -","- C145 H133 Cl3 I16 O18 -","1","0.5","","Pavlović, Dražen; Cohen, Shmuel","Controlled synthesis of unsubstituted high molecular weight poly(para-phenylene) via Suzuki polycondensation-thermal aromatization methodology","Polymer Chemistry","2020","11","14","2550","2558","10.1039/D0PY00001A","","","0.71073","MoKα","","0.0312","0.0302","","","0.0905","0.0911","","","","","","1.093","","","","has coordinates","257944","2020-10-21","18:00:00",""
"1557560","6.5584","0.0003","27.8708","0.0012","7.1955","0.0003","90","","110.371","0.001","90","","1232.99","0.09","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H32 Cd0.96 Cu0.04 N6 O18 S2 -","- C8 H32 Cd0.962 Cu0.038 N6 O18 S2 -","- C16 H64 Cd1.924 Cu0.076 N12 O36 S4 -","2","0.5","","Colaneri, Michael J.; Teat, Simon J.; Vitali, Jacqueline","Electron Paramagnetic Resonance Characteristics and Crystal Structure of a Tutton Salt Analog: Copper Doped Cadmium Creatininium Sulfate.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.0c00004","","","0.7288","synchrotron","","0.0267","0.0218","","","0.0563","0.0582","","","","","","1.059","","","","has coordinates","249213","2020-10-21","18:00:00",""
"1557561","6.5282","0.0002","27.7012","0.0009","7.1557","0.0002","90","","110.584","0.001","90","","1211.42","0.06","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H32 Cd0.96 Cu0.04 N6 O18 S2 -","- C8 H32 Cd0.965 Cu0.035 N6 O18 S2 -","- C16 H64 Cd1.93 Cu0.07 N12 O36 S4 -","2","0.5","","Colaneri, Michael J.; Teat, Simon J.; Vitali, Jacqueline","Electron Paramagnetic Resonance Characteristics and Crystal Structure of a Tutton Salt Analog: Copper Doped Cadmium Creatininium Sulfate.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.0c00004","","","0.7288","synchrotron","","0.0243","0.0237","","","0.0576","0.0582","","","","","","1.154","","","","has coordinates","249214","2020-10-21","18:00:00",""
"1557562","14.5564","0.0011","33.71","0.003","14.6416","0.0011","90","","94.219","0.001","90","","7165.1","1","173","2","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C73 H76 Ag3 Cl2 Cu2 P S6 -","- C73 H76 Ag3 Cl2 Cu2 P S6 -","- C292 H304 Ag12 Cl8 Cu8 P4 S24 -","4","1","","Anumula, Rajini; Xiao, Pin; Cui, Chaonan; Wu, Haiming; Cui, Ganglong; Fang, Wei-Hai; Luo, Zhixun; Yao, Jiannian","A small bimetallic Ag<sub>3</sub>Cu<sub>2</sub> nanocluster with dual emissions within and against Kasha's rule.","Nanoscale","2020","12","14","7864","7869","10.1039/d0nr00471e","","","0.71073","MoKα","","0.0529","0.0494","","","0.1095","0.1117","","","","","","1.134","","","","has coordinates","251677","2020-10-21","18:00:00",""
"1557567","12.309","0.004","12.652","0.004","12.944","0.005","106.387","0.006","109.432","0.006","104.59","0.006","1685.3","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H34 B F2 N3 -","- C45 H34 B F2 N3 -","- C90 H68 B2 F4 N6 -","2","1","","Mahmood, Zafar; Taddei, Maria; Rehmat, Noreen; Bussotti, Laura; Doria, Sandra; Guan, Qinglin; Ji, Shaomin; Zhao, Jianzhang; Di Donato, Mariangela; Huo, Yanping; Xing, Yong Heng","Color-Tunable Delayed Fluorescence and Efficient Spin‒Orbit Charge Transfer Intersystem Crossing in Compact Carbazole-Anthracene-Bodipy Triads Employing the Sequential Electron Transfer Approach","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11687","","","0.71073","MoKα","","0.1307","0.0737","","","0.2111","0.2341","","","","","","1.027","","","","has coordinates","249242","2020-10-21","18:00:00",""
"1557568","14.2619","0.0008","14.8156","0.0008","18.7795","0.001","84.988","0.001","86.27","0.001","80.923","0.001","3898.1","0.4","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H37 B Cl2 F2 N3 O0.5 -","- C46 H37 B Cl2 F2 N3 O0.5 -","- C184 H148 B4 Cl8 F8 N12 O2 -","4","2","","Mahmood, Zafar; Taddei, Maria; Rehmat, Noreen; Bussotti, Laura; Doria, Sandra; Guan, Qinglin; Ji, Shaomin; Zhao, Jianzhang; Di Donato, Mariangela; Huo, Yanping; Xing, Yong Heng","Color-Tunable Delayed Fluorescence and Efficient Spin–Orbit Charge Transfer Intersystem Crossing in Compact Carbazole-Anthracene-Bodipy Triads Employing the Sequential Electron Transfer Approach","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11687","","","0.71073","MoKα","","0.1995","0.1185","","","0.3481","0.3961","","","","","","1.289","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1557569","14.7132","0.0019","20.895","0.003","7.2659","0.0009","90","","97.143","0.002","90","","2216.4","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 B F2 N2 -","- C27 H23 B F2 N2 -","- C108 H92 B4 F8 N8 -","4","0.5","","Mahmood, Zafar; Taddei, Maria; Rehmat, Noreen; Bussotti, Laura; Doria, Sandra; Guan, Qinglin; Ji, Shaomin; Zhao, Jianzhang; Di Donato, Mariangela; Huo, Yanping; Xing, Yong Heng","Color-Tunable Delayed Fluorescence and Efficient Spin‒Orbit Charge Transfer Intersystem Crossing in Compact Carbazole-Anthracene-Bodipy Triads Employing the Sequential Electron Transfer Approach","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11687","","","0.71073","MoKα","","0.0946","0.0523","","","0.1415","0.1704","","","","","","1.028","","","","has coordinates","249244","2020-10-21","18:00:00",""
"1557570","8.27","0.0008","9.1848","0.0009","12.4194","0.0012","71.619","0.005","82.065","0.005","79.191","0.005","876.19","0.15","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C40 H36 N4 O10 -","2","1","","Yelgaonkar, Shweta P.; Swenson, Dale C.; MacGillivray, Leonard R.","Supramolecular chemistry under mechanochemical conditions: a small molecule template generated and integrated into a molecular-to-supramolecular and back-to-molecular cascade reaction","Chemical Science","2020","11","13","3569","3573","10.1039/C9SC05823K","","","0.71073","MoKα","","0.0791","0.0604","","","0.1568","0.1734","","","","","","1.053","","","","has coordinates","257348","2020-10-21","18:00:00",""
"1557571","10.9162","0.0011","11.3807","0.0011","31.809","0.003","90","","90","","90","","3951.8","0.7","150","2","150.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H44 N4 O11 -","- C44 H44 N4 O11 -","- C176 H176 N16 O44 -","4","1","","Yelgaonkar, Shweta P.; Swenson, Dale C.; MacGillivray, Leonard R.","Supramolecular chemistry under mechanochemical conditions: a small molecule template generated and integrated into a molecular-to-supramolecular and back-to-molecular cascade reaction","Chemical Science","2020","11","13","3569","3573","10.1039/C9SC05823K","","","0.71073","MoKα","","0.0762","0.0591","","","0.1526","0.1645","","","","","","1.063","","","","has coordinates,has disorder","257348","2020-10-21","18:00:00",""
"1557572","9.2321","0.0019","18.768","0.004","18.876","0.004","90","","93.72","0.03","90","","3263.7","1.2","190","2","190.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","exo,exo-7-oxa-5-norbornene-2,3-dicarboxylic acid","","- C8 H8 O5 -","- C8 H8 O5 -","- C128 H128 O80 -","16","8","","Yelgaonkar, Shweta P.; Swenson, Dale C.; MacGillivray, Leonard R.","Supramolecular chemistry under mechanochemical conditions: a small molecule template generated and integrated into a molecular-to-supramolecular and back-to-molecular cascade reaction","Chemical Science","2020","11","13","3569","3573","10.1039/C9SC05823K","","","0.71073","MoKα","","0.1096","0.0584","","","0.1352","0.1632","","","","","","1.023","","","","has coordinates,has disorder","257348","2020-10-21","18:00:00",""
"1557573","12.2712","0.0007","11.2934","0.0006","10.8984","0.0007","90","","112.565","0.002","90","","1394.71","0.14","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","12,15-Dimethyl-8-oxatetracyclo[8.8.0.0^2,7^.0^11,16^]octadeca-1(18),2,4,6,11(16),12,14-heptaen-10-ol","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","HB4341","Lough, Alan J.; Koh, Samuel; Tam, William","12,15-Dimethyl-8-oxatetracyclo[8.8.0.0^2,7^.0^11,16^]octadeca-1(18),2,4,6,11(16),12,14-heptaen-10-ol","IUCrData","2020","5","3","x200315","","10.1107/S2414314620003156","","","0.71073","MoKα","","0.0643","0.0396","","","0.0944","0.1099","","","","","","1.035","","","","has coordinates,has Fobs","249276","2020-10-21","18:00:00",""
"1557580","6.4901","0.0002","13.5853","0.0004","17.2054","0.0006","90","","90","","90","","1517","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 N4 O3 S -","- C15 H12 N4 O3 S -","- C60 H48 N16 O12 S4 -","4","1","","Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian","H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins","Chemical Science","2020","11","15","3852","3861","10.1039/D0SC00475H","","","0.71073","MoKα","","0.0369","0.0332","","","0.0885","0.0922","","","","","","1.055","","","","has coordinates","257380","2020-10-21","18:00:00",""
"1557581","6.2023","0.0002","15.1707","0.0004","23.3424","0.0007","90","","90","","90","","2196.36","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Cl N2 O3 -","- C25 H21 Cl N2 O3 -","- C100 H84 Cl4 N8 O12 -","4","1","","Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian","H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins","Chemical Science","2020","11","15","3852","3861","10.1039/D0SC00475H","","","0.71073","MoKα","","0.0508","0.0391","","","0.1005","0.1092","","","","","","1.046","","","","has coordinates","257380","2020-10-21","18:00:00",""
"1557582","7.6364","0.0001","11.6851","0.0002","11.5473","0.0002","90","","104.259","0.002","90","","998.65","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 Br2 N4 O3 -","- C18 H14 Br2 N4 O3 -","- C36 H28 Br4 N8 O6 -","2","1","","Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian","H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins","Chemical Science","2020","11","15","3852","3861","10.1039/D0SC00475H","","x-ray","1.54184","CuKα","","0.0402","0.0383","","","0.1042","0.1061","","","","","","1.059","","","","has coordinates","257380","2020-10-21","18:00:00",""
"1557583","10.3148","0.0002","11.9114","0.0003","14.6673","0.0003","90","","90","","90","","1802.08","0.07","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 F N4 O3 -","- C19 H15 F N4 O3 -","- C76 H60 F4 N16 O12 -","4","1","","Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian","H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins","Chemical Science","2020","11","15","3852","3861","10.1039/D0SC00475H","","","1.54178","CuKα","","0.0747","0.0691","","","0.2196","0.2314","","","","","","1.048","","","","has coordinates","257380","2020-10-21","18:00:00",""
"1557584","6.6447","0.0005","14.3101","0.0011","22.5008","0.0017","90","","90","","90","","2139.5","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Cl N2 O3 -","- C25 H21 Cl N2 O3 -","- C100 H84 Cl4 N8 O12 -","4","1","","Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian","H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins","Chemical Science","2020","11","15","3852","3861","10.1039/D0SC00475H","","","0.71073","MoKα","","0.0682","0.043","","","0.0935","0.1084","","","","","","0.996","","","","has coordinates","257380","2020-10-21","18:00:00",""
"1557585","18.1194","0.0003","20.3557","0.0003","43.9834","0.0007","90","","90","","90","","16222.5","0.4","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C37 H61 Eu N8 O15 -","- C37 H47 Eu N8 O15 -","- C592 H752 Eu16 N128 O240 -","16","0.5","","Hewitt, Sarah H.; Macey, Georgina; Mailhot, Romain; Elsegood, Mark R. J.; Duarte, Fernanda; Kenwright, Alan M.; Butler, Stephen J.","Tuning the anion binding properties of lanthanide receptors to discriminate nucleoside phosphates in a sensing array","Chemical Science","2020","11","14","3619","3628","10.1039/D0SC00343C","","","0.71073","MoKα","","0.0487","0.0461","","","0.114","0.1153","","","","","","1.296","","","","has coordinates,has disorder","257355","2020-10-21","18:00:00",""
"1557586","5.8675","0.0003","12.4208","0.0007","24.4967","0.0014","90","","90","","90","","1785.3","0.17","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Br Cl0 N O2 -","- C22 H18 Br N O2 -","- C88 H72 Br4 N4 O8 -","4","1","","Shen, Bin; He, Qianwen; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming","A chiral cobalt(ii) complex catalyzed enantioselective aza-Piancatelli rearrangement/Diels‒Alder cascade reaction","Chemical Science","2020","11","15","3862","3867","10.1039/D0SC00542H","","","0.71073","MoKα","","0.0374","0.03","","","0.066","0.0705","","","","","","1.04","","","","has coordinates","257386","2020-10-21","18:00:00",""
"1557587","6.732","0.0007","7.228","0.0006","12.0162","0.0017","80.831","0.011","86.517","0.011","62.902","0.008","513.81","0.11","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Br N O -","- C11 H10 Br N O -","- C22 H20 Br2 N2 O2 -","2","1","","Ikeda, Hideaki; Nishi, Kohei; Tsurugi, Hayato; Mashima, Kazushi","Chromium-catalyzed cyclopropanation of alkenes with bromoform in the presence of 2,3,5,6-tetramethyl-1,4-bis(trimethylsilyl)-1,4-dihydropyrazine","Chemical Science","2020","11","14","3604","3609","10.1039/D0SC00964D","","","0.71075","MoKα","","0.0327","0.0286","","","0.0684","0.069","","","","","","0.988","","","","has coordinates","257357","2020-10-21","18:00:00",""
"1557594","9.5079","0.0007","32.3832","0.0014","13.8528","0.0012","90","","110.045","0.01","90","","4006.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl2 Co N4 O4 -","- C16 H22 Cl2 Co N4 O4 -","- C128 H176 Cl16 Co8 N32 O32 -","8","2","","Anandababu, Karunanithi; Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Single-step benzene hydroxylation by cobalt(ii) catalysts via a cobalt(iii)-hydroperoxo intermediate","Catalysis Science & Technology","2020","10","8","2540","2548","10.1039/C9CY02601K","","","0.71073","MoKα","","0.062","0.05","","","0.1143","0.1215","","","","","","1.073","","","","has coordinates","257208","2020-10-21","18:00:00",""
"1557595","12.2832","0.0008","7.3066","0.0005","22.5865","0.0014","90","","95.779","0.006","90","","2016.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Cl2 Co N4 O4 -","- C17 H22 Cl2 Co N4 O4 -","- C68 H88 Cl8 Co4 N16 O16 -","4","1","","Anandababu, Karunanithi; Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Single-step benzene hydroxylation by cobalt(ii) catalysts via a cobalt(iii)-hydroperoxo intermediate","Catalysis Science & Technology","2020","10","8","2540","2548","10.1039/C9CY02601K","","","0.71073","MoKα","","0.0621","0.0475","","","0.1157","0.1244","","","","","","1.049","","","","has coordinates","257208","2020-10-21","18:00:00",""
"1557596","9.8205","0.0009","14.0434","0.0011","26.706","0.002","90","","90","","90","","3683.1","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H44 B Cl Co N4 -","- C41 B Cl Co N4 -","- C164 B4 Cl4 Co4 N16 -","4","1","","Anandababu, Karunanithi; Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Single-step benzene hydroxylation by cobalt(ii) catalysts via a cobalt(iii)-hydroperoxo intermediate","Catalysis Science & Technology","2020","10","8","2540","2548","10.1039/C9CY02601K","","","0.71073","MoKα","","0.0925","0.0828","","","0.2308","0.2458","","","","","","1.111","","","","has coordinates","257208","2020-10-21","18:00:00",""
"1557597","16.0327","0.0009","10.7162","0.0006","22.6792","0.0012","90","","107.025","0.006","90","","3725.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H46 B Cl Co N4 -","- C43 H46 B Cl Co N4 -","- C172 H184 B4 Cl4 Co4 N16 -","4","1","","Anandababu, Karunanithi; Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Single-step benzene hydroxylation by cobalt(ii) catalysts via a cobalt(iii)-hydroperoxo intermediate","Catalysis Science & Technology","2020","10","8","2540","2548","10.1039/C9CY02601K","","","0.71073","MoKα","","0.0736","0.0453","","","0.0962","0.1096","","","","","","1.01","","","","has coordinates","257208","2020-10-21","18:00:00",""
"1557598","10.186","0.00006","11.3558","0.00007","15.5296","0.0001","90","","90","","90","","1796.31","0.019","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 F3 N O4 -","- C18 H18 F3 N O4 -","- C72 H72 F12 N4 O16 -","4","1","","Zhang, Shuyue; Greenhalgh, Mark D.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Tandem sequential catalytic enantioselective synthesis of highly-functionalised tetrahydroindolizine derivatives","Chemical Science","2020","11","15","3885","3892","10.1039/D0SC00432D","","","1.54184","CuKα","","0.0374","0.0371","","","0.1016","0.102","","","","","","1.064","","","","has coordinates","257379","2020-10-21","18:00:00",""
"1557600","13.1908","0.0006","27.7405","0.0013","18.6474","0.0007","90","","92.509","0.002","90","","6816.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C77 H75 Cl N2 Pd -","- C77 H75 Cl N2 Pd -","- C308 H300 Cl4 N8 Pd4 -","4","1","","Li, Shuaikang; Xu, Guoyong; Dai, Shengyu","A remote nonconjugated electron effect in insertion polymerization with α-diimine nickel and palladium species","Polymer Chemistry","2020","11","15","2692","2699","10.1039/D0PY00218F","","","1.54178","CuKα","","0.105","0.0602","","","0.126","0.1425","","","","","","1.043","","","","has coordinates,has disorder","257948","2020-10-21","18:00:00",""
"1557601","15.332","0.0014","36.69","0.003","14.7501","0.0013","90","","114.377","0.005","90","","7557.7","1.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H67 Cl F8 N2 Pd -","- C77 H67 Cl F8 N2 Pd -","- C308 H268 Cl4 F32 N8 Pd4 -","4","1","","Li, Shuaikang; Xu, Guoyong; Dai, Shengyu","A remote nonconjugated electron effect in insertion polymerization with α-diimine nickel and palladium species","Polymer Chemistry","2020","11","15","2692","2699","10.1039/D0PY00218F","","","0.71073","MoKα","","0.1897","0.116","","","0.2685","0.2977","","","","","","1.086","","","","has coordinates,has disorder","257948","2020-10-21","18:00:00",""
"1557603","17.4822","0.0003","9.78677","0.00016","20.9912","0.0004","90","","103.576","0.0017","90","","3491.13","0.11","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 N2 O2 S -","- C21 H17 N3 O2 S -","- C168 H136 N24 O16 S8 -","8","1","","Li, Guofeng; Zhao, Man; Xie, Junqiu; Yao, Ying; Mou, Lingyun; Zhang, Xiaowei; Guo, Xiaomin; Sun, Wangsheng; Wang, Zheng; Xu, Jiecheng; Xue, Jianzhong; Hu, Tao; Zhang, Ming; Li, Min; Hong, Liang","Efficient synthesis of cyclic amidine-based fluorophores via 6π-electrocyclic ring closure","Chemical Science","2020","11","14","3586","3591","10.1039/D0SC00798F","","x-ray","1.54184","CuKα","","0.0406","0.0369","","","0.0945","0.0982","","","","","","1.035","","","","has coordinates","257352","2020-10-21","18:00:00",""
"1557604","12.7105","0.001","28.115","0.002","8.1727","0.0007","90","","105.391","0.002","90","","2815.8","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 Cl2 N2 O2 P2 U -","- C20 H44 Cl2 N2 O2 P2 U -","- C80 H176 Cl8 N8 O8 P8 U4 -","4","1","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","0.71073","MoKα","","0.0541","0.0474","","","0.1391","0.1439","","","","","","1.091","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557605","14.48","0.002","14.59","0.002","12.5668","0.0018","90","","102.29","0.004","90","","2594.1","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H40 Cl2 N2 O2 P2 U -","- C18 H40 Cl2 N2 O2 P2 U -","- C72 H160 Cl8 N8 O8 P8 U4 -","4","1","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","1.34139","GaKα","","0.0776","0.0647","","","0.1935","0.2195","","","","","","1.125","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557606","16.3226","0.0016","22.813","0.002","14.7718","0.0015","90","","90","","90","","5500.5","0.9","173","2","173","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C40 H88 Cl4 N4 O4 P4 Pd2 U2 -","- C40 H88 Cl4 N4 O4 P4 Pd2 U2 -","- C160 H352 Cl16 N16 O16 P16 Pd8 U8 -","4","0.5","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","1.34139","GaKα","","0.0554","0.0332","","","0.0685","0.0776","","","","","","1.013","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557607","12.663","0.0008","21.4809","0.0013","23.0838","0.0017","90","","99.354","0.002","90","","6195.6","0.7","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44 H96 Cl4 N4 O6 P4 Pt3 U2 -","- C44 H96 Cl4 N4 O6 P4 Pt3 U2 -","- C176 H384 Cl16 N16 O24 P16 Pt12 U8 -","4","0.5","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","1.34139","GaKα","","0.0439","0.0376","","","0.0948","0.0985","","","","","","1.066","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557608","11.3508","0.0018","12.914","0.002","20.597","0.004","90","","95.165","0.007","90","","3006.9","0.9","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H48 Cl2 N2 Ni O3 P2 U -","- C22 H48 Cl2 N2 Ni O3 P2 U -","- C88 H192 Cl8 N8 Ni4 O12 P8 U4 -","4","1","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","1.34139","GaKα","","0.1126","0.0977","","","0.2146","0.2235","","","","","","1.112","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557609","14.5223","0.0019","15.8953","0.0018","27.339","0.003","90","","103.728","0.003","90","","6130.6","1.3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H96 Cl4 N4 Ni2 O5 P4 U2 -","- C44 H96 Cl4 N4 Ni2 O5 P4 U2 -","- C176 H384 Cl16 N16 Ni8 O20 P16 U8 -","4","1","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","0.71073","MoKα","","0.0591","0.0465","","","0.1383","0.1495","","","","","","1.002","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557610","12.208","0.003","12.209","0.003","17.048","0.004","108.557","0.007","90.701","0.008","108.839","0.007","2261","1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H63 Cl2 N2 O3 P3 Pd U -","- C40 H63 Cl2 N2 O3 P3 Pd U -","- C80 H126 Cl4 N4 O6 P6 Pd2 U2 -","2","1","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","1.34139","GaKα","","0.0359","0.0344","","","0.094","0.0956","","","","","","1.042","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557611","9.942","0.002","22.986","0.005","26.512","0.005","90","","90","","90","","6059","2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[1‒9-NαC]-Linusorb B3 (Cyclolinopeptide A) dimethyl sulfoxide monosolvate","24,27-Dibenzyl-15,18-bis(butan-2-yl)-12,21-bis(2-methylpropyl)-9-(propan-2-yl)-1,7,10,13,16,19,22,25,28-nonaazatricyclo[28.3.0.0^3,7^]tritriacontane-2,8,11,14,17,20,23,26,29-nonone dimethyl sulfoxide monosolvate","","- C59 H90 N9 O10 S -","- C59 H90 N9 O10 S -","- C236 H360 N36 O40 S4 -","4","1","LH4052","Purdy, Sarah Kendra; Spasyuk, Denis; Chitanda, Jackson Mulenga; Reaney, Martin J. T.","[1‒9-NαC]-Linusorb B3 (Cyclolinopeptide A) dimethyl sulfoxide monosolvate","IUCrData","2020","5","3","x200318","","10.1107/S2414314620003181","","","0.68882","synchrotron","","0.0446","0.0394","","","0.0977","0.1006","","","","","","1.038","","","","has coordinates,has Fobs","249390","2020-10-21","18:00:00",""
"1557612","9.434","0.0019","17.134","0.004","8.826","0.0018","90","","105.01","0.04","90","","1378","0.6","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>E</i>)-6-(Furan-2-ylmethylidene)-6,7,8,9-tetrahydropyrido[2,1-<i>b</i>]quinazoline-11-thione","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C68 H56 N8 O4 S4 -","4","1","BH4051","Tojiboev, Akmal; Nasrullaev, Azizbek; Turgunov, Kambarali; Elmuradov, Burkhan; Tashkhodjaev, Bakhodir","(<i>E</i>)-6-(Furan-2-ylmethylidene)-6,7,8,9-tetrahydropyrido[2,1-<i>b</i>]quinazoline-11-thione","IUCrData","2020","5","3","","","10.1107/S2414314620003569","","","1.54184","CuKα","","0.052","0.0445","","","0.1177","0.123","","","","","","1.035","","","","has coordinates,has Fobs","249391","2020-10-21","18:00:00",""
"1557613","7.3975","0.0003","10.7485","0.0005","13.1441","0.0005","92.571","0.003","96.25","0.004","97.449","0.004","1028.29","0.08","292.1","0.3","292.1","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 O5 S -","- C22 H28 O5 S -","- C44 H56 O10 S2 -","2","1","","Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang","Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro‒Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence","Chemical Science","2020","11","15","3878","3884","10.1039/D0SC00102C","","x-ray","1.54184","CuKα","","0.0507","0.0428","","","0.1155","0.1223","","","","","","1.047","","","","has coordinates","257383","2020-10-21","18:00:00",""
"1557614","7.6688","0.0003","22.4305","0.0006","15.4747","0.0005","90","","101.329","0.004","90","","2610.02","0.15","292.89","0.12","292.89","0.12","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C120 H176 O24 -","8","2","","Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang","Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro–Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence","Chemical Science","2020","11","15","3878","3884","10.1039/D0SC00102C","","","1.54184","CuKα","","0.0551","0.0456","","","0.1221","0.1371","","","","","","1.063","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1557615","7.1285","0.0003","11.9273","0.0004","13.4833","0.0005","90","","104.629","0.004","90","","1109.24","0.08","294.06","0.1","294.06","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 O2 -","- C12 H20 O2 -","- C48 H80 O8 -","4","1","","Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang","Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro‒Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence","Chemical Science","2020","11","15","3878","3884","10.1039/D0SC00102C","","","1.54184","CuKα","","0.0457","0.0424","","","0.1158","0.1188","","","","","","1.062","","","","has coordinates","257383","2020-10-21","18:00:00",""
"1557616","7.2165","0.0003","8.3504","0.0003","11.317","0.0004","82.649","0.003","76.258","0.003","68.964","0.004","617.61","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C30 H40 O6 -","2","1","","Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang","Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro‒Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence","Chemical Science","2020","11","15","3878","3884","10.1039/D0SC00102C","","","1.54184","CuKα","","0.0473","0.0447","","","0.1181","0.1208","","","","","","1.084","","","","has coordinates","257383","2020-10-21","18:00:00",""
"1557617","10.3539","0.0002","19.9619","0.0004","11.8443","0.0003","90","","113.384","0.003","90","","2246.95","0.1","295","0.1","295","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N2 O3 S -","- C23 H28 N2 O3 S -","- C92 H112 N8 O12 S4 -","4","1","","Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang","Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro‒Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence","Chemical Science","2020","11","15","3878","3884","10.1039/D0SC00102C","","","1.54184","CuKα","","0.046","0.0406","","","0.1095","0.1146","","","","","","1.033","","","","has coordinates","257383","2020-10-21","18:00:00",""
"1557618","9.961","0.0003","17.5295","0.0006","13.2899","0.0004","90","","101.667","0.003","90","","2272.62","0.13","295.3","0.2","295.3","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 N2 O4 S -","- C22 H30 N2 O4 S -","- C88 H120 N8 O16 S4 -","4","1","","Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang","Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro‒Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence","Chemical Science","2020","11","15","3878","3884","10.1039/D0SC00102C","","","1.54184","CuKα","","0.0666","0.0565","","","0.159","0.17","","","","","","1.046","","","","has coordinates","257383","2020-10-21","18:00:00",""
"1557619","7.2285","0.0005","7.2385","0.0005","13.7586","0.0011","102.192","0.007","99.616","0.006","104.149","0.006","663.91","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","7-Chloro-3-(4-methylphenylsulfonyl)pyrrolo[1,2-<i>c</i>]pyrimidine","","- C14 H11 Cl N2 O2 S -","- C14 H11 Cl N2 O2 S -","- C28 H22 Cl2 N4 O4 S2 -","2","1","HB4342","Narayan, Easha; Fu, Liangfeng; Gribble, Gordon W.; Kaur, Manpreet; Jasinski, Jerry P.","7-Chloro-3-(4-methylphenylsulfonyl)pyrrolo[1,2-<i>c</i>]pyrimidine","IUCrData","2020","5","3","","","10.1107/S241431462000382X","","","1.54184","CuKα","","0.0485","0.043","","","0.1069","0.1144","","","","","","1.041","","","","has coordinates,has Fobs","249477","2020-10-21","18:00:00",""
"1557620","7.0953","0.0008","8.931","0.0008","18.219","0.002","90","","95.49","0.009","90","","1149.2","0.2","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5-Bis[(<i>E</i>)-2-phenylethenyl]-3,6-bis(pyridin-2-yl)pyrazine","","- C30 H22 N4 -","- C30 H22 N4 -","- C60 H44 N8 -","2","0.5","BT4090","Detert, Heiner; Jochem, Matthias; Schollmeyer, Dieter","2,5-Bis[(<i>E</i>)-2-phenylethenyl]-3,6-bis(pyridin-2-yl)pyrazine","IUCrData","2020","5","3","","","10.1107/S2414314620003727","","","0.71073","MoKα","","0.0838","0.0434","","","0.0989","0.1104","","","","","","0.989","","","","has coordinates,has Fobs","249478","2020-10-21","18:00:00",""
"1557622","11.0648","0.0004","12.5473","0.0005","15.4261","0.0005","78.272","0.001","71.155","0.001","88.709","0.001","1982.39","0.13","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H32 Cl N O3 P2 Pd -","- C35 H32 Cl N O3 P2 Pd -","- C70 H64 Cl2 N2 O6 P4 Pd2 -","2","1","","Li, Kangkang; Ye, Junhao; Wang, Zhen; Mu, Hongliang; Jian, Zhongbao","Indole-bridged bisphosphine-monoxide palladium catalysts for ethylene polymerization and copolymerization with polar monomers","Polymer Chemistry","2020","11","15","2740","2748","10.1039/D0PY00100G","","","1.54184","CuKα","","0.0473","0.0463","","","0.1246","0.1257","","","","","","1.065","","","","has coordinates","257949","2020-10-21","18:00:00",""
"1557623","11.2563","0.0006","12.7674","0.0007","14.3032","0.0008","67.146","0.002","74.271","0.002","78.535","0.002","1813.12","0.17","173","2","173","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H35 Cl4 N3 O3 P2 Pd -","- C28 H35 Cl4 N3 O3 P2 Pd -","- C56 H70 Cl8 N6 O6 P4 Pd2 -","2","1","","Li, Kangkang; Ye, Junhao; Wang, Zhen; Mu, Hongliang; Jian, Zhongbao","Indole-bridged bisphosphine-monoxide palladium catalysts for ethylene polymerization and copolymerization with polar monomers","Polymer Chemistry","2020","11","15","2740","2748","10.1039/D0PY00100G","","","1.54184","CuKα","","0.0589","0.0564","","","0.1462","0.1517","","","","","","1.041","","","","has coordinates,has disorder","257949","2020-10-21","18:00:00",""
"1557624","10.2352","0.0004","14.3325","0.0005","14.817","0.0005","65.248","0.001","83.2","0.001","79.814","0.001","1940.4","0.12","173","2","173","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H45 Cl4 N O3 P2 Pd -","- C38 H45 Cl4 N O3 P2 Pd -","- C76 H90 Cl8 N2 O6 P4 Pd2 -","2","1","","Li, Kangkang; Ye, Junhao; Wang, Zhen; Mu, Hongliang; Jian, Zhongbao","Indole-bridged bisphosphine-monoxide palladium catalysts for ethylene polymerization and copolymerization with polar monomers","Polymer Chemistry","2020","11","15","2740","2748","10.1039/D0PY00100G","","","1.54184","CuKα","","0.0587","0.0542","","","0.1532","0.1606","","","","","","1.147","","","","has coordinates","257949","2020-10-21","18:00:00",""
"1557625","9.1199","0.0002","23.4191","0.0006","23.6083","0.0007","90","","90","","90","","5042.3","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","compound 1","","","- C48 H55 Au F6 N4 O11 S2 -","- C48 H55 Au F6 N4 O11 S2 -","- C192 H220 Au4 F24 N16 O44 S8 -","4","1","","Reid, Jolene P.; Hu, Mingyou; Ito, Susumu; Huang, Banruo; Hong, Cynthia M.; Xiang, Hengye; Sigman, Matthew S.; Toste, F. Dean","Strategies for remote enantiocontrol in chiral gold(iii) complexes applied to catalytic enantioselective γ,δ-Diels‒Alder reactions","Chemical Science","2020","11","25","6450","6456","10.1039/D0SC00497A","","x-ray","0.71073","MoKα","","0.0424","0.0309","","","0.0512","0.0529","","","","","","1.033","","","","has coordinates","257338","2020-10-21","18:00:00",""
"1557626","20.9953","0.0003","20.9953","0.0003","20.9953","0.0003","90","","90","","90","","9254.8","0.2","100","0.1","100","0.1","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","MOF-217","MOF-217","","- C21 H9 N3 O6 Ti -","- C21 H9 N3 O6 Ti -","- C168 H72 N24 O48 Ti8 -","8","0.333333","","Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang","Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity","Chemical Science","2020","11","15","3978","3985","10.1039/C9SC06500H","","x-ray","1.54184","CuKα","","0.1243","0.114","","","0.3654","0.3772","","","","","","1.634","","","","has coordinates","257377","2020-10-21","18:00:00",""
"1557627","21.1222","0.0004","21.1222","0.0004","21.1222","0.0004","90","","90","","90","","9423.6","0.3","249.99","0.1","249.99","0.1","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C3.5 H1.5 N0.5 O Ti0.17 -","- C3.5 H1.5 N0.5 O Ti0.166667 -","- C168 H72 N24 O48 Ti8 -","48","2","","Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang","Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity","Chemical Science","2020","11","15","3978","3985","10.1039/C9SC06500H","","x-ray","1.54184","CuKα","","0.1201","0.1083","","","0.3521","0.3639","","","","","","1.534","","","","has coordinates","257377","2020-10-21","18:00:00",""
"1557628","21.1205","0.0003","21.1205","0.0003","21.1205","0.0003","90","","90","","90","","9421.3","0.2","199.99","0.1","199.99","0.1","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C H N O Ti -","- C1.28244 H0.549618 N0.183206 O0.366412 Ti0.0610687 -","- C168 H72 N24 O48 Ti8 -","131","5.45833","","Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang","Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity","Chemical Science","2020","11","15","3978","3985","10.1039/C9SC06500H","","x-ray","1.54184","CuKα","","0.1197","0.1096","","","0.3658","0.377","","","","","","1.624","","","","has coordinates","257377","2020-10-21","18:00:00",""
"1557631","12.1671","0.0008","5.4176","0.0004","16.7266","0.0011","90","","107.932","0.004","90","","1049","0.13","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 Cl O6 -","- C23 H25 Cl O6 -","- C46 H50 Cl2 O12 -","2","1","","Wang, Weiyi; Yang, Jing; Liao, Yan-Yan; Cheng, Gang; Chen, Jing; Cheng, Xiang-Dong; Qin, Jiang-Jiang; Shao, Zongze","Cytotoxic Nitrogenated Azaphilones from the Deep-Sea-Derived Fungus Chaetomium globosum MP4-S01-7","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01165","","","1.54178","CuKα","","0.0757","0.062","","","0.1558","0.1701","","","","","","1.094","","","","has coordinates","249587","2020-10-21","18:00:00",""
"1557632","8.0895","0.0007","12.0696","0.001","14.0112","0.0012","100.514","0.005","104.24","0.005","108.18","0.005","1208.85","0.19","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 N O7 S -","- C25 H27 N O7 S -","- C50 H54 N2 O14 S2 -","2","1","","Winn, Blake A.; Devkota, Laxman; Kuch, Bunnarack; MacDonough, Matthew T.; Strecker, Tracy E.; Wang, Yifan; Shi, Zhe; Gerberich, Jeni L.; Mondal, Deboprosad; Ramirez, Alejandro J.; Hamel, Ernest; Chaplin, David J.; Davis, Peter; Mason, Ralph P.; Trawick, Mary Lynn; Pinney, Kevin G.","Bioreductively Activatable Prodrug Conjugates of Combretastatin A-1 and Combretastatin A-4 as Anticancer Agents Targeted toward Tumor-Associated Hypoxia","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00773","","","0.71073","MoKα","","0.0771","0.0455","","","0.1098","0.1276","","","","","","1.023","","","","has coordinates","249588","2020-10-21","18:00:00",""
"1557633","7.3","0.005","11.867","0.008","15.598","0.009","78.16","0.04","80.45","0.04","88.78","0.05","1304.1","1.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H10 B Br F15 N -","- C26 H10 B Br F15 N -","- C52 H20 B2 Br2 F30 N2 -","2","1","","Aramaki, Yoshitaka; Imaizumi, Naoki; Hotta, Mao; Kumagai, Jun; Ooi, Takashi","Exploiting single-electron transfer in Lewis pairs for catalytic bond-forming reactions","Chemical Science","2020","11","17","4305","4311","10.1039/D0SC01159B","","","0.71075","MoKα","","0.1239","0.0518","","","0.1073","0.1267","","","","","","0.834","","","","has coordinates","257319","2020-10-21","18:00:00",""
"1557634","9.6311","0.0006","19.6619","0.0013","13.541","0.0009","90","","106.977","0.001","90","","2452.5","0.3","193","2","193","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BIP_CH2NEt2","2-(3?,5?-Di-tert-butyl-2?-hydroxyphenyl)-4-diethylmethyleneaminebenzimidazole","","- C26 H37 N3 O -","- C26 H37 N3 O -","- C104 H148 N12 O4 -","4","1","","Odella, Emmanuel; Mora, S. Jimena; Wadsworth, Brian L.; Goings, Joshua J.; Gervaldo, Miguel A.; Sereno, Leonides E.; Groy, Thomas L.; Gust, Devens; Moore, Thomas A.; Moore, Gary F.; Hammes-Schiffer, Sharon; Moore, Ana L.","Proton-coupled electron transfer across benzimidazole bridges in bioinspired proton wires","Chemical Science","2020","11","15","3820","3828","10.1039/C9SC06010C","","","0.71073","MoKα","","0.0831","0.0663","","","0.185","0.2005","","","","","","1.068","","","","has coordinates,has disorder","257385","2020-10-21","18:00:00",""
"1557635","33.136","0.004","6.8671","0.0008","30.967","0.004","90","","100.031","0.002","90","","6938.8","1.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","diBIP-Imine-OMe","7-(4-Methoxyphenyliminomethyl-1H-benzimidazole-2-yl)-2-(3,5-di-tert-butyl-2-hydroxyphenyl-1-yl)-1H-benzimidazole","","- C73 H76 Cl2 N10 O4 -","- C73 H76 Cl2 N10 O4 -","- C292 H304 Cl8 N40 O16 -","4","0.5","","Odella, Emmanuel; Mora, S. Jimena; Wadsworth, Brian L.; Goings, Joshua J.; Gervaldo, Miguel A.; Sereno, Leonides E.; Groy, Thomas L.; Gust, Devens; Moore, Thomas A.; Moore, Gary F.; Hammes-Schiffer, Sharon; Moore, Ana L.","Proton-coupled electron transfer across benzimidazole bridges in bioinspired proton wires","Chemical Science","2020","11","15","3820","3828","10.1039/C9SC06010C","","","0.71073","MoKα","","0.0977","0.0667","","","0.147","0.1607","","","","","","1.054","","","","has coordinates","257385","2020-10-21","18:00:00",""
"1557636","10.4608","0.0008","10.9006","0.001","12.5293","0.001","104.61","0.005","107.84","0.004","97.204","0.004","1283.78","0.19","150","2","149.72","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Anderson, Samantha L.; Tiana, Davide; Ireland, Christopher P.; Capano, Gloria; Fumanal, Maria; Gładysiak, Andrzej; Kampouri, Stavroula; Rahmanudin, Aiman; Guijarro, Néstor; Sivula, Kevin; Stylianou, Kyriakos C.; Smit, Berend","Taking lanthanides out of isolation: tuning the optical properties of metal‒organic frameworks","Chemical Science","2020","11","16","4164","4170","10.1039/D0SC00740D","","","0.71073","MoKα","","0.0211","0.018","","","0.0421","0.0433","","","","","","1.08","","","","has coordinates,has disorder","257336","2020-10-21","18:00:00",""
"1557637","13.388","0.003","6.6366","0.0012","15.567","0.002","90","","98.599","0.014","90","","1367.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N O7 Tb -","- C11 H10 N O7 Tb -","- C44 H40 N4 O28 Tb4 -","4","1","","Anderson, Samantha L.; Tiana, Davide; Ireland, Christopher P.; Capano, Gloria; Fumanal, Maria; Gładysiak, Andrzej; Kampouri, Stavroula; Rahmanudin, Aiman; Guijarro, Néstor; Sivula, Kevin; Stylianou, Kyriakos C.; Smit, Berend","Taking lanthanides out of isolation: tuning the optical properties of metal‒organic frameworks","Chemical Science","2020","11","16","4164","4170","10.1039/D0SC00740D","","","0.71073","MoKα","","0.0681","0.0369","","","0.0495","0.0552","","","","","","1.055","","","","has coordinates,has disorder","257336","2020-10-21","18:00:00",""
"1557638","5.9915","0.0004","29.952","0.002","7.8574","0.0005","90","","95.092","0.002","90","","1404.5","0.16","296","2","296.6","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O2 S2 -","- C15 H11 N O2 S2 -","- C60 H44 N4 O8 S8 -","4","1","","Gao, Wen-Chao; Tian, Jun; Shang, Yu-Zhu; Jiang, Xuefeng","Steric and stereoscopic disulfide construction for cross-linkage via N-dithiophthalimides","Chemical Science","2020","11","15","3903","3908","10.1039/D0SC01060J","","","0.71073","MoKα","","0.0789","0.0615","","","0.1196","0.1252","","","","","","1.172","","","","has coordinates","257381","2020-10-21","18:00:00",""
"1557639","9.234","0.0003","9.723","0.0003","10.6174","0.0003","99.463","0.002","113.869","0.003","105.929","0.003","796.06","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 O3 S2 -","- C18 H15 O3 S2 -","- C36 H30 O6 S4 -","2","1","","Gao, Wen-Chao; Tian, Jun; Shang, Yu-Zhu; Jiang, Xuefeng","Steric and stereoscopic disulfide construction for cross-linkage via N-dithiophthalimides","Chemical Science","2020","11","15","3903","3908","10.1039/D0SC01060J","","x-ray","1.54184","CuKα","","0.0402","0.0396","","","0.1062","0.1067","","","","","","1.037","","","","has coordinates","257381","2020-10-21","18:00:00",""
"1557640","23.8898","0.0002","6.7617","0.0001","24.8099","0.0002","90","","102.215","0.001","90","","3916.95","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H27 Br O3 S2 -","- C30 H27 Br O3 S2 -","- C180 H162 Br6 O18 S12 -","6","3","","Gao, Wen-Chao; Tian, Jun; Shang, Yu-Zhu; Jiang, Xuefeng","Steric and stereoscopic disulfide construction for cross-linkage via N-dithiophthalimides","Chemical Science","2020","11","15","3903","3908","10.1039/D0SC01060J","","x-ray","1.54184","CuKα","","0.0385","0.037","","","0.0959","0.0971","","","","","","1.043","","","","has coordinates","257381","2020-10-21","18:00:00",""
"1557643","14.9205","0.0004","16.8222","0.0004","22.8584","0.0006","86.207","0.001","74.171","0.001","76.595","0.001","5369.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C H Cl N Pd -","- C3.61404 H4.42105 Cl0.0350877 N0.0701754 Pd0.0350877 -","- C206 H252 Cl2 N4 Pd2 -","57","28.5","","Dai, Shengyu; Li, Shuaikang; Xu, Guoyong; Chen, Changle","Direct Synthesis of Polar Functionalized Polyethylene Thermoplastic Elastomer","Macromolecules","2020","","","","","10.1021/acs.macromol.0c00083","","","0.71073","MoKα","","0.0729","0.0634","","","0.1577","0.1632","","","","","","0.829","","","","has coordinates,has disorder","249638","2020-10-21","18:00:00",""
"1557644","22.436","0.004","22.436","0.004","38.165","0.008","90","","90","","90","","19211","6","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C112 H192 In26 Mn4 N32 S51 -","- In26 Mn4 S51 -","- In104 Mn16 S204 -","4","0.25","","Xue, Chaozhuang; Fan, Xing; Zhang, Jiaxu; Hu, Dandan; Wang, Xiao-Li; Wang, Xiang; Zhou, Rui; Lin, Haiping; Li, Youyong; Li, Dong-Sheng; Wei, Xiao; Zheng, Daoyuan; Yang, Yang; Han, Keli; Wu, Tao","Direct observation of charge transfer between molecular heterojunctions based on inorganic semiconductor clusters","Chemical Science","2020","11","16","4085","4096","10.1039/D0SC00458H","","","0.71073","MoKα","","0.0946","0.0514","","","0.1645","0.2018","","","","","","1.175","","","","has coordinates","257333","2020-10-21","18:00:00",""
"1557645","22.329","0.002","22.329","0.002","38.059","0.003","90","","90","","90","","18976","3","120","2","120","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C112 H192 Fe4 In26 N32 O0 S51 -","- Fe4 In26 S51 -","- Fe16 In104 S204 -","4","0.25","","Xue, Chaozhuang; Fan, Xing; Zhang, Jiaxu; Hu, Dandan; Wang, Xiao-Li; Wang, Xiang; Zhou, Rui; Lin, Haiping; Li, Youyong; Li, Dong-Sheng; Wei, Xiao; Zheng, Daoyuan; Yang, Yang; Han, Keli; Wu, Tao","Direct observation of charge transfer between molecular heterojunctions based on inorganic semiconductor clusters","Chemical Science","2020","11","16","4085","4096","10.1039/D0SC00458H","","","0.71073","MoKα","","0.1319","0.0827","","","0.2055","0.264","","","","","","1.326","","","","has coordinates","257333","2020-10-21","18:00:00",""
"1557646","8.9606","0.0003","9.9217","0.0004","11.8105","0.0004","72.29","0.003","88.75","0.003","63.972","0.004","891.12","0.07","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 Br O5 -","- C19 H19 Br O5 -","- C38 H38 Br2 O10 -","2","1","","Zhao, Qiang; Jin, Ji-Kang; Wang, Jie; Zhang, Feng-Lian; Wang, Yi-Feng","Radical α-addition involved electrooxidative [3 + 2] annulation of phenols and electron-deficient alkenes","Chemical Science","2020","11","15","3909","3913","10.1039/D0SC01078B","","","1.54184","CuKα","","0.0312","0.0299","","","0.0782","0.0795","","","","","","1.047","","","","has coordinates","257382","2020-10-21","18:00:00",""
"1557647","11.3991","0.0007","63.596","0.003","13.7285","0.0008","90","","92.383","0.002","90","","9943.7","1","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Fe3 Ho Li3 O6 -","- C54 H72 Fe3 Ho Li3 O6 -","- C432 H576 Fe24 Ho8 Li24 O48 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.1061","0.0848","","","0.1426","0.1511","","","","","","1.224","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557648","11.3774","0.0012","63.872","0.007","13.7293","0.0015","90","","92.491","0.004","90","","9967.6","1.9","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Fe3 Gd Li3 O6 -","- C54 H72 Fe3 Gd Li3 O6 -","- C432 H576 Fe24 Gd8 Li24 O48 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.0802","0.0685","","","0.1267","0.1323","","","","","","1.274","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557649","11.4155","0.0006","63.489","0.003","13.73","0.0007","90","","92.17","0.002","90","","9943.8","0.9","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Fe3 Li3 O6 Yb -","- C54 H72 Fe3 Li3 O6 Yb -","- C432 H576 Fe24 Li24 O48 Yb8 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.0862","0.0774","","","0.1571","0.1617","","","","","","1.294","","","","has coordinates","257384","2020-10-21","18:00:00",""
"1557650","11.3389","0.0004","13.7172","0.0005","36.2329","0.0012","90","","95.344","0.001","90","","5611.1","0.3","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H84 Fe3 Ho Li3 O6 -","- C60 H84 Fe3 Ho Li3 O6 -","- C240 H336 Fe12 Ho4 Li12 O24 -","4","1","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.0998","0.0931","","","0.1648","0.1666","","","","","","1.353","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557651","21.206","0.0009","22.6446","0.001","23.1321","0.0011","90","","90","","90","","11108.1","0.9","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64.38 H58.38 Fe3 Ho Li3 N6.88 -","- C64.375 H58.375 Fe3 Ho Li3 N6.875 -","- C515 H467 Fe24 Ho8 Li24 N55 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.092","0.0494","","","0.0932","0.1135","","","","","","1.018","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557652","11.4149","0.0016","63.246","0.009","13.743","0.0019","90","","92.282","0.004","90","","9914","2","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Fe3 Li3 Lu O6 -","- C54 H72 Fe3 Li3 Lu O6 -","- C432 H576 Fe24 Li24 Lu8 O48 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","x-ray","0.71073","MoKα","","0.0749","0.0666","","","0.1537","0.1603","","","","","","1.125","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557653","11.4199","0.0015","63.606","0.008","13.7467","0.0019","90","","92.28","0.003","90","","9977","2","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Fe3 Li3 O6 Tm -","- C54 H72 Fe3 Li3 O6 Tm -","- C432 H576 Fe24 Li24 O48 Tm8 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","x-ray","0.71073","MoKα","","0.0404","0.04","","","0.0919","0.092","","","","","","1.409","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557654","11.4007","0.0011","63.598","0.006","13.7293","0.0014","90","","92.262","0.004","90","","9946.8","1.7","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Er Fe3 Li3 O6 -","- C54 H72 Er Fe3 Li3 O6 -","- C432 H576 Er8 Fe24 Li24 O48 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.0567","0.0493","","","0.0938","0.0967","","","","","","1.265","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557655","20.62","0.003","32.856","0.004","25.081","0.004","90","","104.923","0.01","90","","16419","4","120","","120","","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C58 H80 Fe3 Li3 Lu O7 -","- C58 H80 Fe3 Li3 Lu O7 -","- C696 H960 Fe36 Li36 Lu12 O84 -","12","3","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.1014","0.0876","","","0.2237","0.2475","","","","","","1.024","","","","has coordinates","257384","2020-10-21","18:00:00",""
"1557656","28.077","0.003","32.756","0.004","20.619","0.002","90","","120.475","0.002","90","","16343","3","110","","110","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C58 H80 Fe3 Li3 O7 Yb -","- C58 H80 Fe3 Li3 O7 Yb -","- C696 H960 Fe36 Li36 O84 Yb12 -","12","3","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.0485","0.0414","","","0.0963","0.1054","","","","","","1.109","","","","has coordinates","257384","2020-10-21","18:00:00",""
"1557657","24.3967","0.0005","24.77","0.0005","18.4252","0.0003","90","","108.384","0.001","90","","10566.2","0.4","170","2","170","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H130 Au4 B Cu5 P4 S6 -","- C110 H130 Au4 B Cu5 P4 S6 -","- C440 H520 Au16 B4 Cu20 P16 S24 -","4","0.5","","Zhou, Manman; Jin, Shan; Wei, Xiao; Yuan, Qianqin; Wang, Shuxin; Du, Yuanxin; Zhu, Manzhou","Reversible Cu‒S Motif Transformation and Au4 Distortion via Thiol Ligand Exchange Engineering","The Journal of Physical Chemistry C","2020","124","13","7531","7538","10.1021/acs.jpcc.0c00204","","","1.54186","CuKα","","0.0486","0.0388","","","0.0964","0.1017","","","","","","1.011","","","","has coordinates,has disorder","257157","2020-10-21","18:00:00",""
"1557658","13.612","0.003","13.537","0.002","14.409","0.003","90","","109.931","0.006","90","","2496.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 Cl10 Fe4 N6 O9 -","- C36 H46 Cl10 Fe4 N6 O9 -","- C72 H92 Cl20 Fe8 N12 O18 -","2","0.5","","Karim, Suhana; Chakraborty, Aratrika; Samanta, Debabrata; Zangrando, Ennio; Ghosh, Totan; Das, Debasis","A dinuclear iron complex as an efficient electrocatalyst for homogeneous water oxidation reaction","Catalysis Science & Technology","2020","10","9","2830","2837","10.1039/D0CY00011F","","","0.71073","MoKα","","0.0979","0.0867","","","0.2206","0.2273","","","","","","1.116","","","","has coordinates","257215","2020-10-21","18:00:00",""
"1557659","11.8719","0.0006","16.9617","0.0008","9.4064","0.0005","90","","102.136","0.002","90","","1851.81","0.16","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl4 Fe2 N6 O10 -","- C32 H40 Cl4 Fe2 N6 O10 -","- C64 H80 Cl8 Fe4 N12 O20 -","2","0.5","","Karim, Suhana; Chakraborty, Aratrika; Samanta, Debabrata; Zangrando, Ennio; Ghosh, Totan; Das, Debasis","A dinuclear iron complex as an efficient electrocatalyst for homogeneous water oxidation reaction","Catalysis Science & Technology","2020","10","9","2830","2837","10.1039/D0CY00011F","","","0.71073","MoKα","","0.0639","0.0487","","","0.11","0.1185","","","","","","1.04","","","","has coordinates","257215","2020-10-21","18:00:00",""
"1557660","5.5195","0.0011","9.4058","0.0019","26.283","0.005","90","","90.84","0.03","90","","1364.3","0.5","113","2","113.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 O4 -","- C13 H24 O4 -","- C52 H96 O16 -","4","1","LQ5027","Shi, Peng; Xu, Shijie; Ma, Yiming; Tang, Weiwei; Zhang, Feng; Wang, Jingkang; Gong, Junbo","Probing the structural pathway of conformational polymorph nucleation by comparing a series of α,ω-alkanedicarboxylic acids","IUCrJ","2020","7","3","","","10.1107/S205225252000233X","","","0.71073","MoKα","","0.0808","0.0573","","","0.1826","0.2351","","","","","","1.024","","","","has coordinates","249730","2020-10-21","18:00:00",""
"1557661","5.4671","0.0003","9.2806","0.0005","29.827","0.0014","90","","94.449","0.004","90","","1508.8","0.14","128.15","","128.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 O4 -","- C15 H28 O4 -","- C60 H112 O16 -","4","1","","Shi, Peng; Xu, Shijie; Ma, Yiming; Tang, Weiwei; Zhang, Feng; Wang, Jingkang; Gong, Junbo","Probing the structural pathway of conformational polymorph nucleation by comparing a series of α,ω-alkanedicarboxylic acids","IUCrJ","2020","7","3","","","10.1107/S205225252000233X","","x-ray","0.71073","MoKα","","0.0688","0.0479","","","0.114","0.1302","","","","","","1.04","","","","has coordinates","249730","2020-10-21","18:00:00",""
"1557662","11.5309","0.0004","7.674","0.0003","21.8978","0.0014","90","","90","","90","","1937.7","0.16","100.2","1","100.2","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H12 B N O3 -","- C9 H12 B N O3 -","- C72 H96 B8 N8 O24 -","8","1","","Chen, Xue; Liu, Zheng-Fei; Jin, Wei Jun","The Effect of Electron Donation and Intermolecular Interactions on Ultralong Phosphorescence Lifetime of 4-Carnoyl Phenylboronic Acids.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.9b11943","","x-ray","1.54184","CuKα","","0.0883","0.076","","","0.2048","0.2302","","","","","","1.0643","","","","has coordinates","249761","2020-10-21","18:00:00",""
"1557663","4.98445","0.00016","24.1243","0.0007","7.0635","0.0002","90","","98.767","0.003","90","","839.44","0.04","100","0.3","100","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 B N O3 -","- C8 H10 B N O3 -","- C32 H40 B4 N4 O12 -","4","1","","Chen, Xue; Liu, Zheng-Fei; Jin, Wei Jun","The Effect of Electron Donation and Intermolecular Interactions on Ultralong Phosphorescence Lifetime of 4-Carnoyl Phenylboronic Acids.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.9b11943","","x-ray","1.54184","CuKα","","0.0407","0.036","","","0.0917","0.0948","","","","","","1.0645","","","","has coordinates","249762","2020-10-21","18:00:00",""
"1557664","7.1663","0.0005","9.8589","0.0005","9.865","0.0006","90","","100.286","0.007","90","","685.78","0.07","100","0.1","100","0.1","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C7 H7 B O3 -","- C7 H7 B O3 -","- C28 H28 B4 O12 -","4","1","","Chen, Xue; Liu, Zheng-Fei; Jin, Wei Jun","The Effect of Electron Donation and Intermolecular Interactions on Ultralong Phosphorescence Lifetime of 4-Carnoyl Phenylboronic Acids.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.9b11943","","x-ray","1.54184","CuKα","","0.0605","0.0563","","","0.1491","0.1554","","","","","","1.043","","","","has coordinates","249763","2020-10-21","18:00:00",""
"1557665","9.859","0.003","11.493","0.003","15.268","0.005","100.424","0.003","106.364","0.003","93.104","0.004","1622.4","0.8","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 N4 O7 Zn -","- C31 H38 N4 O7 Zn -","- C62 H76 N8 O14 Zn2 -","2","1","","Konieczny, Piotr; Pel̷ka, Robert; Masuda, Yuka; Sakata, Shiomi; Kayahara, Saori; Irie, Natsumi; Kajiwara, Takashi; Baran, Stanisl̷aw","Anisotropy of Spin‒Lattice Relaxations in Mononuclear Tb3+ Single-Molecule Magnets","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11057","","","0.71075","MoKα","","0.0753","0.0567","","","0.1559","0.1709","","","","","","1.065","","","","has coordinates","249764","2020-10-21","18:00:00",""
"1557666","11.8682","0.0004","11.8682","0.0004","38.4392","0.0016","90","","90","","120","","4688.9","0.3","153","2","153","2","","","","","","","","8","R 3 2 :H","R 3 2""","155","","","","- C61 H66 F3 N8 O15 S Tb Zn2 -","- C61 H66 F3 N8 O15 S Tb Zn2 -","- C183 H198 F9 N24 O45 S3 Tb3 Zn6 -","3","0.166667","","Konieczny, Piotr; Pel̷ka, Robert; Masuda, Yuka; Sakata, Shiomi; Kayahara, Saori; Irie, Natsumi; Kajiwara, Takashi; Baran, Stanisl̷aw","Anisotropy of Spin‒Lattice Relaxations in Mononuclear Tb3+ Single-Molecule Magnets","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11057","","","0.71075","MoKα","","0.0258","0.0255","","","0.0645","0.0648","","","","","","1.066","","","","has coordinates","249765","2020-10-21","18:00:00",""
"1557667","13.0157","0.0008","9.4167","0.0005","13.1769","0.0007","90","","94.249","0.004","90","","1610.59","0.16","90","0.5","90","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 O2 -","- C21 H24 O2 -","- C84 H96 O8 -","4","1","","Badmus, Fatimat O.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Synthesis of functionalized tetrahydropyrans via cascade cycloaddition involving silyloxyallyl cation intermediates.","Chemical communications (Cambridge, England)","2020","56","37","5034","5037","10.1039/d0cc01796e","","","0.71073","MoKα","","0.0762","0.0536","","","0.1375","0.1516","","","","","","1.036","","","","has coordinates","252685","2020-10-21","18:00:00",""
"1557668","3.8629","0.0002","11.5405","0.0007","13.9513","0.0007","74.149","0.002","82.55","0.002","87.829","0.002","593.24","0.06","199","2","199","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 F2 N O -","- C15 H9 F2 N O -","- C30 H18 F4 N2 O2 -","2","1","","Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong","“Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation","Materials Horizons","2020","7","6","1566","1572","10.1039/D0MH00447B","","","0.71073","MoKα","","0.065","0.0409","","","0.0961","0.1104","","","","","","1.035","","","","has coordinates","258156","2020-10-21","18:00:00",""
"1557669","21.7576","0.0003","9.38142","0.00011","22.7647","0.0003","90","","99.6152","0.0011","90","","4581.39","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H20 F2 N2 O2 -","- C30 H20 F2 N2 O2 -","- C240 H160 F16 N16 O16 -","8","2","","Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong","“Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation","Materials Horizons","2020","7","6","1566","1572","10.1039/D0MH00447B","","x-ray","1.54184","CuKα","","0.0482","0.0447","","","0.1112","0.1139","","","","","","1.025","","","","has coordinates","258156","2020-10-21","18:00:00",""
"1557670","8.8798","0.0006","12.2737","0.001","13.1272","0.0012","63.758","0.008","80.374","0.007","68.947","0.007","1197.53","0.19","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H18 F4 N2 O2 -","- C30 H18 F4 N2 O2 -","- C60 H36 F8 N4 O4 -","2","1","","Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong","“Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation","Materials Horizons","2020","7","6","1566","1572","10.1039/D0MH00447B","","x-ray","1.54184","CuKα","","0.0505","0.0397","","","0.1013","0.1063","","","","","","1.094","","","","has coordinates,has disorder","258156","2020-10-21","18:00:00",""
"1557671","9.159","0.0003","12.266","0.0005","12.8671","0.0006","107.066","0.004","107.962","0.004","106.939","0.004","1193.03","0.11","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H18 F4 N2 O2 -","- C30 H18 F4 N2 O2 -","- C60 H36 F8 N4 O4 -","2","1","","Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong","“Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation","Materials Horizons","2020","7","6","1566","1572","10.1039/D0MH00447B","","x-ray","1.54184","CuKα","","0.0577","0.0452","","","0.1199","0.1276","","","","","","1.055","","","","has coordinates,has disorder","258156","2020-10-21","18:00:00",""
"1557672","12.9258","0.0002","11.10764","0.00016","8.24353","0.00013","90","","101.365","0.0016","90","","1160.36","0.03","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 F4 N2 O2 -","- C30 H18 F4 N2 O2 -","- C60 H36 F8 N4 O4 -","2","0.5","","Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong","“Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation","Materials Horizons","2020","7","6","1566","1572","10.1039/D0MH00447B","","x-ray","1.54184","CuKα","","0.0344","0.0333","","","0.0801","0.0808","","","","","","1.053","","","","has coordinates","258156","2020-10-21","18:00:00",""
"1557673","6.6501","0.0004","26.3347","0.0015","7.4237","0.0005","90","","115.269","0.003","90","","1175.7","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F N O -","- C15 H10 F N O -","- C60 H40 F4 N4 O4 -","4","1","","Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong","“Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation","Materials Horizons","2020","7","6","1566","1572","10.1039/D0MH00447B","","","1.54178","CuKα","","0.0822","0.0756","","","0.2251","0.2322","","","","","","1.119","","","","has coordinates","258156","2020-10-21","18:00:00",""
"1557674","6.2162","0.0005","12.5583","0.0008","20.7881","0.0012","92.381","0.005","98.293","0.006","100.115","0.006","1577.16","0.19","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C12 H18 O -","- C12 H18 O -","- C72 H108 O6 -","6","3","","Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando","Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways","Chemical Science","2020","11","16","4209","4220","10.1039/D0SC00650E","","x-ray","1.54184","CuKα","","0.1114","0.0591","","","0.131","0.1549","","","","","","1.012","","","","has coordinates","257334","2020-10-21","18:00:00",""
"1557675","19.54","0.003","8.3364","0.0013","11.3992","0.0016","90","","95.016","0.009","90","","1849.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RN5 - 347 - 18MCD005","","","- C19 H24 N2 O6 -","- C19 H24 N2 O6 -","- C76 H96 N8 O24 -","4","1","","Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando","Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways","Chemical Science","2020","11","16","4209","4220","10.1039/D0SC00650E","","","0.71073","MoKα","","0.1296","0.0547","","","0.119","0.1486","","","","","","0.938","","","","has coordinates","257334","2020-10-21","18:00:00",""
"1557676","23.4244","0.001","6.2336","0.0003","13.0105","0.0006","90","","90.557","0.002","90","","1899.68","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RN1-601","","","- C19 H34 O Si -","- C19 H34 O Si -","- C76 H136 O4 Si4 -","4","1","","Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando","Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways","Chemical Science","2020","11","16","4209","4220","10.1039/D0SC00650E","","x-ray","0.71073","MoKα","","0.0818","0.049","","","0.1088","0.1226","","","","","","1.028","","","","has coordinates","257334","2020-10-21","18:00:00",""
"1557677","22.3413","0.0004","22.3413","0.0004","8.6532","0.0002","90","","90","","90","","4319.1","0.15","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","LM1RN5-137","","","- C12 H18 O -","- C12 H18 O -","- C192 H288 O16 -","16","1","","Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando","Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways","Chemical Science","2020","11","16","4209","4220","10.1039/D0SC00650E","","x-ray","0.71073","MoKα","","0.0562","0.0434","","","0.1175","0.1299","","","","","","1.028","","","","has coordinates","257334","2020-10-21","18:00:00",""
"1557678","11.4263","0.0002","19.625","0.0003","15.7208","0.0004","90","","90","","90","","3525.25","0.12","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","RN5-163","","","- C20 H23 Br O2 -","- C20 H23 Br O2 -","- C160 H184 Br8 O16 -","8","2","","Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando","Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways","Chemical Science","2020","11","16","4209","4220","10.1039/D0SC00650E","","","0.71073","MoKα","","0.071","0.0386","","","0.0685","0.0757","","","","","","0.973","","","","has coordinates","257334","2020-10-21","18:00:00",""
"1557679","27.395","0.0016","44.055","0.004","14.5103","0.0008","90","","100.575","0.005","90","","17215","2","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H114 Fe N4 Na4 Zn4 -","- C62 H114 Fe N4 Na4 Zn4 -","- C620 H1140 Fe10 N40 Na40 Zn40 -","10","1.25","","Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E.","A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity","Chemical Science","2020","11","25","6510","6520","10.1039/D0SC01612H","","","1.54184","CuKα","","0.1356","0.1091","","","0.2413","0.2567","","","","","","1.106","","","","has coordinates,has disorder","257340","2020-10-21","18:00:00",""
"1557680","8.8556","0.0002","17.4144","0.0004","23.9796","0.0005","90","","90","","90","","3698.01","0.14","123.05","0.1","123.05","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H42 N7 Na Zn -","- C39 H42 N7 Na Zn -","- C156 H168 N28 Na4 Zn4 -","4","1","","Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E.","A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity","Chemical Science","2020","11","25","6510","6520","10.1039/D0SC01612H","","x-ray","1.54184","CuKα","","0.0603","0.04","","","0.0824","0.0871","","","","","","0.883","","","","has coordinates","257340","2020-10-21","18:00:00",""
"1557681","14.895","0.002","26.966","0.004","18.622","0.003","90","","111.871","0.002","90","","6941.3","1.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H110 Fe N4 Na4 Zn4 -","- C68 H110 Fe N4 Na4 Zn4 -","- C272 H440 Fe4 N16 Na16 Zn16 -","4","1","","Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E.","A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity","Chemical Science","2020","11","25","6510","6520","10.1039/D0SC01612H","","","0.6814","synchrotron","","0.1098","0.0778","","","0.1708","0.1859","","","","","","1.043","","","","has coordinates","257340","2020-10-21","18:00:00",""
"1557682","12.9797","0.0005","15.0261","0.0006","15.9756","0.0008","99.482","0.004","90.798","0.004","99.459","0.003","3028.7","0.2","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H102 Fe N6 Na2 Zn2 -","- C55 H102 Fe N6 Na2 Zn2 -","- C110 H204 Fe2 N12 Na4 Zn4 -","2","1","","Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E.","A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity","Chemical Science","2020","11","25","6510","6520","10.1039/D0SC01612H","","","0.71073","MoKα","","0.0806","0.0466","","","0.0997","0.1154","","","","","","1.013","","","","has coordinates,has disorder","257340","2020-10-21","18:00:00",""
"1557683","10.7335","0.0009","12.4005","0.001","7.9206","0.0006","90","","93.654","0.004","90","","1052.09","0.15","446","2","446","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Amino-6-(piperidin-1-yl)pyrimidine-5-carbonitrile","","- C10 H13 N5 -","- C10 H13 N5 -","- C40 H52 N20 -","4","1","HB4343","Bhat, Radhika; Shraddha, K. N.; Begum, Noor Shahina","4-Amino-6-(piperidin-1-yl)pyrimidine-5-carbonitrile","IUCrData","2020","5","3","","","10.1107/S2414314620003855","","","0.71073","MoKα","","0.0688","0.0495","","","0.1522","0.1795","","","","","","1.156","","","","has coordinates,has Fobs","249823","2020-10-21","18:00:00",""
"1557687","11.3959","0.0004","8.8582","0.0003","26.7626","0.001","90","","91.58","0.001","90","","2700.58","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 F3 N3 O3 S -","- C26 H39 F3 N3 O3 S -","- C104 H156 F12 N12 O12 S4 -","4","1","","Messelberger, Julian; Grünwald, Annette; Goodner, Stephen J.; Zeilinger, Florian; Pinter, Piermaria; Miehlich, Matthias E.; Heinemann, Frank W.; Hansmann, Max M.; Munz, Dominik","Aromaticity and sterics control whether a cationic olefin radical is resistant to disproportionation","Chemical Science","2020","11","16","4138","4149","10.1039/D0SC00699H","","","0.71073","MoKα","","0.0538","0.0416","","","0.1005","0.11","","","","","","1.051","","","","has coordinates,has disorder","257335","2020-10-21","18:00:00",""
"1557688","14.9305","0.0009","11.67","0.0007","16.4062","0.0009","90","","109.508","0.002","90","","2694.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H39 F3 N3 O3 S -","- C26 H39 F3 N3 O3 S -","- C104 H156 F12 N12 O12 S4 -","4","1","","Messelberger, Julian; Grünwald, Annette; Goodner, Stephen J.; Zeilinger, Florian; Pinter, Piermaria; Miehlich, Matthias E.; Heinemann, Frank W.; Hansmann, Max M.; Munz, Dominik","Aromaticity and sterics control whether a cationic olefin radical is resistant to disproportionation","Chemical Science","2020","11","16","4138","4149","10.1039/D0SC00699H","","","0.71073","MoKα","","0.0642","0.0577","","","0.1268","0.1305","","","","","","1.083","","","","has coordinates,has disorder","257335","2020-10-21","18:00:00",""
"1557692","10.7086","0.0002","9.7764","0.0002","13.0365","0.0003","90","","107.06","0.001","90","","1304.76","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Veranamine","8-bromo-4,5,5-trimethyl-5,6-dihydrobenzo[c][2,7]naphthyridine","","- C15 H16 Br N2 -","- C15 H16 Br N2 -","- C60 H64 Br4 N8 -","4","1","","Kochanowska-Karamyan, Anna J.; Araujo, Hugo C.; Zhang, Xiong; El-Alfy, Abir; Carvalho, Paulo; Avery, Mitchell A.; Holmbo, Stephen D.; Magolan, Jakob; Hamann, Mark T.","Isolation and Synthesis of Veranamine, an Antidepressant Lead from the Marine Sponge Verongula rigida","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01107","","","1.54178","CuKα","","0.0428","0.0385","","","0.1019","0.1054","","","","","","1.059","","","","has coordinates","249881","2020-10-21","18:00:00",""
"1557693","12.486","0.0005","15.7992","0.0007","18.2813","0.0008","74.958","0.003","70.373","0.003","83.08","0.003","3278.2","0.3","100","","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C65 H61 B F24 N2 O2 Pd -","- C65 H61 B F24 N2 O2 Pd -","- C130 H122 B2 F48 N4 O4 Pd2 -","2","1","","Stadler, Sonja M.; Göttker-Schnetmann, Inigo; Fuchs, Amelie S.; Fischer, Stephan R. R.; Mecking, Stefan","Catalytic Chain Transfer Polymerization to Functional Reactive End Groups for Controlled Free Radical Growth","Macromolecules","2020","","","","","10.1021/acs.macromol.0c00241","","","0.71073","MoKα","","0.1098","0.0711","","","0.1521","0.1769","","","","","","1.038","","","","has coordinates,has disorder","249889","2020-10-21","18:00:00",""
"1557694","12.7207","0.0005","15.1193","0.0007","16.6268","0.0006","93.278","0.003","98.104","0.003","98.439","0.003","3121.7","0.2","100","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H58 B F24 N3 Pd -","- C63 H58 B F24 N3 Pd -","- C126 H116 B2 F48 N6 Pd2 -","2","1","","Stadler, Sonja M.; Göttker-Schnetmann, Inigo; Fuchs, Amelie S.; Fischer, Stephan R. R.; Mecking, Stefan","Catalytic Chain Transfer Polymerization to Functional Reactive End Groups for Controlled Free Radical Growth","Macromolecules","2020","","","","","10.1021/acs.macromol.0c00241","","","0.71073","MoKα","","0.0508","0.0393","","","0.0891","0.0946","","","","","","1.021","","","","has coordinates,has disorder","249890","2020-10-21","18:00:00",""
"1557695","11.129","0.002","9.485","0.0018","18.178","0.004","90","","90.821","0.003","90","","1918.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O -","- C24 H23 N O -","- C96 H92 N4 O4 -","4","1","","Liu, Zhengfen; Li, Minyan; Deng, Guogang; Wei, Wanshi; Feng, Ping; Zi, Quanxing; Li, Tiantian; Zhang, Hongbin; Yang, Xiaodong; Walsh, Patrick J.","Transition-metal-free C(sp3)‒H/C(sp3)‒H dehydrogenative coupling of saturated heterocycles with N-benzyl imines","Chemical Science","2020","11","29","7619","7625","10.1039/D0SC00031K","","","0.71073","MoKα","","0.1098","0.0534","","","0.1461","0.1717","","","","","","0.986","","","","has coordinates","257281","2020-10-21","18:00:00",""
"1557696","10.9067","0.0003","9.988","0.0003","18.4338","0.0005","90","","94.55","0.001","90","","2001.78","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 N2 O -","- C25 H26 N2 O -","- C100 H104 N8 O4 -","4","1","","Liu, Zhengfen; Li, Minyan; Deng, Guogang; Wei, Wanshi; Feng, Ping; Zi, Quanxing; Li, Tiantian; Zhang, Hongbin; Yang, Xiaodong; Walsh, Patrick J.","Transition-metal-free C(sp3)‒H/C(sp3)‒H dehydrogenative coupling of saturated heterocycles with N-benzyl imines","Chemical Science","2020","11","29","7619","7625","10.1039/D0SC00031K","","","1.54178","CuKα","","0.0443","0.0427","","","0.1586","0.1627","","","","","","1.397","","","","has coordinates","257281","2020-10-21","18:00:00",""
"1557697","6.1631","0.0006","19.253","0.002","18.0743","0.0019","90","","96.83","0.001","90","","2129.4","0.4","100","2","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,1',2-tris(methylcarboxyphenyl)ethene","Trimethyl 4,4',4''-(ethene-1,1,2-triyl)tribenzoate","","- C26 H22 O6 -","- C26 H22 O6 -","- C104 H88 O24 -","4","1","ZL4040","Lesley, Melvin J. G.; Ozhan, Koray; Sung, Herman H.-Y.; Williams, Ian D.","Trimethyl 4,4',4''-(ethene-1,1,2-triyl)tribenzoate","IUCrData","2020","5","3","x200417","","10.1107/S2414314620004174","","","0.71073","MoKα","","0.0569","0.048","","","0.1185","0.1246","","","","","","1.021","","","","has coordinates,has Fobs","249911","2020-10-21","18:00:00",""
"1557703","13.5605","0.0005","16.7746","0.0006","17.6055","0.0007","90","","90","","90","","4004.8","0.3","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H47 N O13 -","- C41 H47 N O13 -","- C164 H188 N4 O52 -","4","1","","Yuan, Shengheng; Hua, Pei; Zhao, Chao; Zhou, Huihao; Xu, Jiake; Xu, Jun; Gu, Qiong","Jatrophane Diterpenoids from <i>Euphorbia esula</i> as Inhibitors of RANKL-Induced Osteoclastogenesis.","Journal of natural products","2020","83","4","1005","1017","10.1021/acs.jnatprod.9b00929","","x-ray","1.54184","CuKα","","0.0651","0.0552","","","0.1468","0.1745","","","","","","1.09","","","","has coordinates","251469","2020-10-21","18:00:00",""
"1557704","11.5632","0.0001","16.5034","0.0001","18.9525","0.0001","90","","90","","90","","3616.75","0.04","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H44 O13 -","- C40 H44 O13 -","- C160 H176 O52 -","4","1","","Yuan, Shengheng; Hua, Pei; Zhao, Chao; Zhou, Huihao; Xu, Jiake; Xu, Jun; Gu, Qiong","Jatrophane Diterpenoids from <i>Euphorbia esula</i> as Inhibitors of RANKL-Induced Osteoclastogenesis.","Journal of natural products","2020","83","4","1005","1017","10.1021/acs.jnatprod.9b00929","","x-ray","1.54184","CuKα","","0.0307","0.0296","","","0.0751","0.0761","","","","","","1.04","","","","has coordinates","251469","2020-10-21","18:00:00",""
"1557705","9.3231","0.0001","9.3231","0.0001","42.7604","0.0006","90","","90","","90","","3716.74","0.08","99.9","0.3","99.9","0.3","","","","","","","","3","P 41","P 4w","76","","","","- C37 H46 O13 -","- C37 H46 O13 -","- C148 H184 O52 -","4","1","","Yuan, Shengheng; Hua, Pei; Zhao, Chao; Zhou, Huihao; Xu, Jiake; Xu, Jun; Gu, Qiong","Jatrophane Diterpenoids from <i>Euphorbia esula</i> as Inhibitors of RANKL-Induced Osteoclastogenesis.","Journal of natural products","2020","83","4","1005","1017","10.1021/acs.jnatprod.9b00929","","x-ray","1.54184","CuKα","","0.0651","0.0485","","","0.1097","0.1203","","","","","","1.053","","","","has coordinates","251469","2020-10-21","18:00:00",""
"1557706","10.0116","0.0008","7.2838","0.0006","13.4741","0.0011","90","","91.07","0.003","90","","982.39","0.14","111","2","111","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O6 -","- C20 H30 O6 -","- C40 H60 O12 -","2","1","","Shen, Yi; Cui, Shu-Jun; Chen, Hao; Shen, Lei; Wang, Min; Dong, Xiang; Xiao, Chao-Jiang; Jiang, Bei","Antimalarial Eudesmane Sesquiterpenoids from <i>Dobinea delavayi</i>.","Journal of natural products","2020","83","4","927","936","10.1021/acs.jnatprod.9b00761","","","1.54178","CuKα","","0.0327","0.0312","","","0.0811","0.0827","","","","","","1.026","","","","has coordinates,has disorder","251470","2020-10-21","18:00:00",""
"1557707","10.5287","0.0005","7.3127","0.0004","12.9166","0.0006","90","","94.614","0.001","90","","991.27","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","dd_xcj20","","","- C20 H30 O7 -","- C20 H30 O7 -","- C40 H60 O14 -","2","1","","Shen, Yi; Cui, Shu-Jun; Chen, Hao; Shen, Lei; Wang, Min; Dong, Xiang; Xiao, Chao-Jiang; Jiang, Bei","Antimalarial Eudesmane Sesquiterpenoids from <i>Dobinea delavayi</i>.","Journal of natural products","2020","83","4","927","936","10.1021/acs.jnatprod.9b00761","","","1.54178","CuKα","","0.0357","0.0356","","","0.0918","0.0919","","","","","","1.05","","","","has coordinates","251470","2020-10-21","18:00:00",""
"1557708","10.8161","0.0006","8.4185","0.0005","16.7407","0.0011","90","","97.266","0.002","90","","1512.09","0.16","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Zheng, Shuai; Zhang, Shuo-Qing; Saeednia, Borna; Zhou, Jiawang; Anna, Jessica M.; Hong, Xin; Molander, Gary A.","Diastereoselective olefin amidoacylation via photoredox PCET/nickel-dual catalysis: reaction scope and mechanistic insights","Chemical Science","2020","11","16","4131","4137","10.1039/D0SC01459A","","","0.71073","MoKα","","0.045","0.0379","","","0.0895","0.0944","","","","","","1.123","","","","has coordinates","257332","2020-10-21","18:00:00",""
"1557709","41.6063","0.0014","41.6063","0.0014","41.6063","0.0014","90","","90","","90","","72024","4","120","2","120","","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C288 H330 Cu2 Na2 O496 P6 W72 -","- C288 H330 Cu2 Na1.9998 O496 P6 W72 -","- C1152 H1320 Cu8 Na7.9992 O1984 P24 W288 -","4","0.166667","","Jiang, Zhan-Guo; Mao, Wei-Tao; Huang, Dan-Ping; Wang, Yu; Wang, Xiao-Juan; Zhan, Cai-Hong","A nonconventional host-guest cubic assembly based on γ-cyclodextrin and a Keggin-type polyoxometalate.","Nanoscale","2020","12","18","10166","10171","10.1039/d0nr00973c","","","0.71073","MoKα","","0.0365","0.0328","","","0.0918","0.0939","","","","","","1.045","","","","has coordinates,has disorder","252852","2020-10-21","18:00:00",""
"1557710","41.7665","0.0008","41.7665","0.0008","41.7665","0.0008","90","","90","","90","","72859","2","120","2","120.01","","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C144 H165 Co Na O252 P3 W36 -","- C144 H165 Co Na O252 P3 W36 -","- C1152 H1320 Co8 Na8 O2016 P24 W288 -","8","0.333333","","Jiang, Zhan-Guo; Mao, Wei-Tao; Huang, Dan-Ping; Wang, Yu; Wang, Xiao-Juan; Zhan, Cai-Hong","A nonconventional host-guest cubic assembly based on γ-cyclodextrin and a Keggin-type polyoxometalate.","Nanoscale","2020","12","18","10166","10171","10.1039/d0nr00973c","","","0.71073","MoKα","","0.0433","0.0374","","","0.0999","0.1043","","","","","","1.046","","","","has coordinates","252852","2020-10-21","18:00:00",""
"1557711","19.0137","0.0009","7.3113","0.0004","20.1679","0.0009","90","","95.594","0.004","90","","2790.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","MPTA","5-(2-methoxyphenyl)-N-phenyl-1,3,4-thiadiazol-2-amine","","- C15 H13 N3 O S -","- C15 H13 N3 O S -","- C120 H104 N24 O8 S8 -","8","1","","Ila, ?; Dani, Reshmi; Verma, Surya Pratap; Krishnamoorthy, G.","The origin of the longer wavelength emission in 2-(4-fluorophenylamino)-5-(2,4-dihydroxybenzeno)-1,3,4-thiadiazole and its analogue 2-phenylamino-5-(2-hydroxybenzono)-1,3,4-thiadiazole.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","6","844","853","10.1039/c9pp00490d","","","0.71073","MoKα","","0.0769","0.0486","","","0.1007","0.1184","","","","","","1.059","","","","has coordinates","257927","2020-10-21","18:00:00",""
"1557713","2.9647","0.0004","2.9647","0.0004","13.8892","0.0003","90","","90","","120","","105.72","0.02","100","","100","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- D2.15 Mg2.28 O6 Si1.32 -","- D2.14564 Mg2.28194 O6 Si1.31946 -","- D2.14564 Mg2.28194 O6 Si1.31946 -","1","0.0277778","","Purevjav, Narangoo; Okuchi, Takuo; Hoffmann, Christina","Strong hydrogen bonding in a dense hydrous magnesium silicate discovered by neutron Laue diffraction","IUCrJ","2020","7","3","","","10.1107/S2052252520003036","powder diffraction","","","neutron","","","0.061","","","","0.053","","","2.02","","","","","","","has coordinates","249959","2020-10-21","18:00:00",""
"1557716","29.0834","0.001","11.8532","0.0003","17.8688","0.0006","90","","115.95","0.0015","90","","5538.9","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","ACC_74_150K","","","- C30 H27 Cl F6 Ir N2 P -","- C30 H27 Cl F6 Ir N2 P -","- C240 H216 Cl8 F48 Ir8 N16 P8 -","8","1","","Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.","Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b02000","","","0.71073","MoKα","","0.0542","0.0305","","","0.0762","0.1073","","","","","","1.16","","","","has coordinates","249975","2020-10-21","18:00:00",""
"1557717","8.8214","0.0002","12.811","0.0004","13.5282","0.0004","81.1829","0.0016","82.9683","0.0014","87.8789","0.0015","1499.15","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","ACC_73_150K","","","- C27.75 H28.75 Cl2.25 F6 Ir N2 P -","- C27.75 H28.75 Cl2.25 F6 Ir N2 P -","- C55.5 H57.5 Cl4.5 F12 Ir2 N4 P2 -","2","1","","Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.","Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b02000","","","0.71073","MoKα","","0.0426","0.038","","","0.1055","0.1227","","","","","","1.139","","","","has coordinates","249976","2020-10-21","18:00:00",""
"1557718","15.8944","0.0004","10.8142","0.0002","15.7843","0.0004","90","","111.606","0.002","90","","2522.46","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ACC_68_150K","","","- C28 H26 F6 Ir N2 P -","- C28 H26 F6 Ir N2 P -","- C112 H104 F24 Ir4 N8 P4 -","4","1","","Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.","Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b02000","","","0.71073","MoKα","","0.0311","0.0226","","","0.0577","0.0876","","","","","","1.091","","","","has coordinates","249977","2020-10-21","18:00:00",""
"1557719","8.8857","0.0003","11.9211","0.0005","14.3535","0.0006","84.168","0.003","86.455","0.002","75.92","0.002","1466.03","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","ACC_75_01","","","- C27 H25 Cl3 F8 Ir N2 P -","- C27 H25 Cl3 F8 Ir N2 P -","- C54 H50 Cl6 F16 Ir2 N4 P2 -","2","1","","Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.","Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b02000","","","0.71073","MoKα","","0.0475","0.0355","","","0.0732","0.0775","","","","","","1.06","","","","has coordinates","249978","2020-10-21","18:00:00",""
"1557720","15.2558","0.0009","10.7013","0.0007","15.9682","0.001","90","","110.221","0.003","90","","2446.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ACC_25_LT","","","- C26 H26 F6 Ir N2 P -","- C26 H26 F6 Ir N2 P -","- C104 H104 F24 Ir4 N8 P4 -","4","1","","Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.","Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b02000","","","0.71073","MoKα","","0.0736","0.0416","","","0.0759","0.0874","","","","","","1.02","","","","has coordinates,has disorder","249979","2020-10-21","18:00:00",""
"1557721","9.2868","0.0002","18.0311","0.0003","22.9054","0.0004","90","","90","","90","","3835.54","0.12","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 F6 Mn N7 O7 S2 -","- C32 H41 F6 Mn N7 O7 S2 -","- C128 H164 F24 Mn4 N28 O28 S8 -","4","1","","Beaver, Matthew G.; Shi, Xianqing; Riedel, Jan; Patel, Parth; Zeng, Alicia; Corbett, Michael T.; Robinson, Jo Anna; Parsons, Andrew T.; Cui, Sheng; Baucom, Kyle; Lovette, Michael A.; Içten, Elçin; Brown, Derek B.; Allian, Ayman; Flick, Tawnya G.; Chen, Wendy; Yang, Ning; Walker, Shawn D.","Continuous Process Improvement in the Manufacture of Carfilzomib, Part 2: An Improved Process for Synthesis of the Epoxyketone Warhead","Organic Process Research & Development","2020","24","4","490","499","10.1021/acs.oprd.0c00052","","","0.71073","MoKα","","0.075","0.0543","","","0.1332","0.148","","","","","","1.056","","","","has coordinates,has disorder","257168","2020-10-21","18:00:00",""
"1557722","9.437","0.0002","10.4908","0.0003","18.5143","0.0004","96.9776","0.0019","99.2858","0.0019","104.161","0.002","1728.97","0.08","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 N4 O6 P2 -","- C36 H46 N4 O6 P2 -","- C72 H92 N8 O12 P4 -","2","1","","Weder, Nicola; Probst, Benjamin; Sévery, Laurent; Fernández-Terán, Ricardo J.; Beckord, Jan; Blacque, Olivier; Tilley, S. David; Hamm, Peter; Osterwalder, Jürg; Alberto, Roger","Mechanistic insights into photocatalysis and over two days of stable H2 generation in electrocatalysis by a molecular cobalt catalyst immobilized on TiO2","Catalysis Science & Technology","2020","10","8","2549","2560","10.1039/D0CY00330A","","x-ray","0.71073","MoKα","","0.0439","0.0387","","","0.0937","0.0974","","","","","","1.018","","","","has coordinates","257210","2020-10-21","18:00:00",""
"1557723","8.1545","0.0003","11.7917","0.0005","16.3115","0.0004","107.981","0.003","96.136","0.003","103.72","0.003","1421.47","0.1","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C27 H30 Br2 Co N4 O7 S2 -","- C27 H30 Br2 Co N4 O7 S2 -","- C54 H60 Br4 Co2 N8 O14 S4 -","2","1","","Weder, Nicola; Probst, Benjamin; Sévery, Laurent; Fernández-Terán, Ricardo J.; Beckord, Jan; Blacque, Olivier; Tilley, S. David; Hamm, Peter; Osterwalder, Jürg; Alberto, Roger","Mechanistic insights into photocatalysis and over two days of stable H2 generation in electrocatalysis by a molecular cobalt catalyst immobilized on TiO2","Catalysis Science & Technology","2020","10","8","2549","2560","10.1039/D0CY00330A","","x-ray","1.54184","CuKα","","0.0499","0.0412","","","0.1032","0.1077","","","","","","1.03","","","","has coordinates","257210","2020-10-21","18:00:00",""
"1557724","8.0833","0.0001","11.8214","0.0001","13.6272","0.0001","90","","95.751","0.001","90","","1295.61","0.02","160","1","160","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Br2 Co N4 O4 -","- C26 H28 Br2 Co N4 O4 -","- C52 H56 Br4 Co2 N8 O8 -","2","0.5","","Weder, Nicola; Probst, Benjamin; Sévery, Laurent; Fernández-Terán, Ricardo J.; Beckord, Jan; Blacque, Olivier; Tilley, S. David; Hamm, Peter; Osterwalder, Jürg; Alberto, Roger","Mechanistic insights into photocatalysis and over two days of stable H2 generation in electrocatalysis by a molecular cobalt catalyst immobilized on TiO2","Catalysis Science & Technology","2020","10","8","2549","2560","10.1039/D0CY00330A","","x-ray","1.54184","CuKα","","0.0365","0.0345","","","0.0928","0.0942","","","","","","1.081","","","","has coordinates","257210","2020-10-21","18:00:00",""
"1557725","7.7554","0.001","13.9099","0.0018","27.058","0.003","90","","92.8263","0.0019","90","","2915.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","SEH136 [H2MeThiazole][RuCl4(2MeThiazole)2]","","","- C10.67 H14 Cl4 N2.67 Ru S2.67 -","- C10.6667 H14 Cl4 N2.66667 Ru S2.66667 -","- C64 H84 Cl24 N16 Ru6 S16 -","6","1.5","","Huffman, Samantha E.; Yawson, Gideon K.; Fisher, Samuel S.; Bothwell, Paige J.; Platt, David C.; Jones, Marjorie A.; Hamaker, Christopher G.; Webb, Michael I.","Ruthenium(iii) complexes containing thiazole-based ligands that modulate amyloid-β aggregation.","Metallomics : integrated biometal science","2020","12","4","491","503","10.1039/d0mt00054j","","","0.71073","MoKα","","0.0401","0.0313","","","0.0656","0.0689","","","","","","1.026","","","","has coordinates","251676","2020-10-21","18:00:00",""
"1557726","8.0381","0.0003","8.1691","0.0003","8.3951","0.0003","85.2736","0.0016","71.5044","0.0015","61.7748","0.0014","459.11","0.03","100","2","100","2","","","","","","","","7","P 1","P 1","1","Webb/GKY-41 [HMeThia][RuCl4(dmso)(MeThia)]","","","- C10 H17 Cl4 N2 O Ru S3 -","- C10 H17 Cl4 N2 O Ru S3 -","- C10 H17 Cl4 N2 O Ru S3 -","1","1","","Huffman, Samantha E.; Yawson, Gideon K.; Fisher, Samuel S.; Bothwell, Paige J.; Platt, David C.; Jones, Marjorie A.; Hamaker, Christopher G.; Webb, Michael I.","Ruthenium(iii) complexes containing thiazole-based ligands that modulate amyloid-β aggregation.","Metallomics : integrated biometal science","2020","12","4","491","503","10.1039/d0mt00054j","","","0.71073","MoKα","","0.0179","0.0179","","","0.0494","0.0495","","","","","","1.059","","","","has coordinates","251676","2020-10-21","18:00:00",""
"1557727","10.805","0.0006","10.9929","0.0006","17.0331","0.001","90","","101.318","0.004","90","","1983.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Webb/SF-53-17 [NH2thiazolium][RuCl4(DMSO)(NH2Thiazole)] from MeOH/Ether","","","- C9.44 H19.44 Cl4 N4 O1.78 Ru S3 -","- C9.4338 H19.432 Cl4 N4 O1.7822 Ru S3 -","- C37.7352 H77.728 Cl16 N16 O7.1288 Ru4 S12 -","4","1","","Huffman, Samantha E.; Yawson, Gideon K.; Fisher, Samuel S.; Bothwell, Paige J.; Platt, David C.; Jones, Marjorie A.; Hamaker, Christopher G.; Webb, Michael I.","Ruthenium(iii) complexes containing thiazole-based ligands that modulate amyloid-β aggregation.","Metallomics : integrated biometal science","2020","12","4","491","503","10.1039/d0mt00054j","","","0.71073","MoKα","","0.0339","0.0247","","","0.0541","0.058","","","","","","1.04","","","","has coordinates,has disorder","251676","2020-10-21","18:00:00",""
"1557730","14.3592","0.0005","7.0144","0.0003","15.9545","0.0007","90","","94.836","0.003","90","","1601.24","0.11","190","2","190","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O3 -","- C17 H25 N O3 -","- C68 H100 N4 O12 -","4","2","","Khushi, Shamsunnahar; Salim, Angela A.; Elbanna, Ahmed H.; Nahar, Laizuman; Bernhardt, Paul V.; Capon, Robert J.","Dysidealactams and Dysidealactones: Sesquiterpene Glycinyl-Lactams, Imides, and Lactones from a Dysidea sp. Marine Sponge Collected in Southern Australia","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00041","","x-ray","1.54184","CuKα","","0.064","0.0544","","","0.1389","0.1473","","","","","","1.093","","","","has coordinates","250014","2020-10-21","18:00:00",""
"1557731","14.3803","0.0005","5.9304","0.0002","20.8174","0.0014","90","","102.702","0.005","90","","1731.88","0.15","190","2","190","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H26 N O5.5 -","- C17 H26 N O5.5 -","- C68 H104 N4 O22 -","4","1","","Khushi, Shamsunnahar; Salim, Angela A.; Elbanna, Ahmed H.; Nahar, Laizuman; Bernhardt, Paul V.; Capon, Robert J.","Dysidealactams and Dysidealactones: Sesquiterpene Glycinyl-Lactams, Imides, and Lactones from a Dysidea sp. Marine Sponge Collected in Southern Australia","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00041","","x-ray","1.54184","CuKα","","0.0779","0.0565","","","0.1167","0.1301","","","","","","1.033","","","","has coordinates","250015","2020-10-21","18:00:00",""
"1557732","10.3043","0.0004","10.5271","0.0005","21.1147","0.0009","88.634","0.001","86.866","0.002","70.331","0.001","2153.5","0.16","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H39 N5 O2 S -","- C53 H39 N5 O2 S -","- C106 H78 N10 O4 S2 -","2","1","","Lv, Chunyan; Liu, Wangwang; Luo, Qing; Yi, Haiyan; Yu, Huakang; Yang, Zhongmin; Zou, Bo; Zhang, Yujian","A highly emissive AIE-active luminophore exhibiting deep-red to near-infrared piezochromism and high-quality lasing","Chemical Science","2020","11","15","4007","4015","10.1039/D0SC01095B","","","0.71073","MoKα","","0.1163","0.0558","","","0.112","0.1385","","","","","","1.026","","","","has coordinates","257378","2020-10-21","18:00:00",""
"1557733","11.944","0.004","12.209","0.005","12.69","0.005","108.719","0.008","99.862","0.008","107.399","0.008","1597.6","1.1","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H35 Cu N3 O15 S -","- C25 H35 Cu N3 O15 S -","- C50 H70 Cu2 N6 O30 S2 -","2","1","","Huang, Nai-Han; Liu, Yan; Li, Rong-Tian; Chen, Jing; Hu, Pei-Pei; Young, David J.; Chen, Jin-Xiang; Zhang, Wen-Hua","Sequential Ag<sup>+</sup>/biothiol and synchronous Ag<sup>+</sup>/Hg<sup>2+</sup> biosensing with zwitterionic Cu<sup>2+</sup>-based metal-organic frameworks.","The Analyst","2020","145","7","2779","2788","10.1039/d0an00002g","","","","","","0.106","","","","","","","","","","","","","","","has coordinates","250125","2020-10-21","18:00:00",""
"1557734","11.3364","0.0011","22.492","0.002","24.752","0.002","66.251","0.002","88.427","0.002","82.262","0.002","5721.7","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H68 Cu4 N12 O18 S2 -","- C96 H68 Cu4 N12 O18 S2 -","- C192 H136 Cu8 N24 O36 S4 -","2","1","","Huang, Nai-Han; Liu, Yan; Li, Rong-Tian; Chen, Jing; Hu, Pei-Pei; Young, David J.; Chen, Jin-Xiang; Zhang, Wen-Hua","Sequential Ag<sup>+</sup>/biothiol and synchronous Ag<sup>+</sup>/Hg<sup>2+</sup> biosensing with zwitterionic Cu<sup>2+</sup>-based metal-organic frameworks.","The Analyst","2020","145","7","2779","2788","10.1039/d0an00002g","","","0.71073","MoKα","","0.1733","0.1252","","","0.3449","0.3723","","","","","","1.058","","","","has coordinates,has disorder","250125","2020-10-21","18:00:00",""
"1557737","32.6262","0.0018","32.6262","0.0018","73.225","0.005","90","","90","","120","","67503","7","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C114 H810 Mo132 N46 O708 S2 -","- C78.6 H49.5 Mo132 O584.94 -","- C235.8 H148.5 Mo396 O1754.82 -","3","0.166667","","Pow, Robert W.; Xuan, Weimin; Long, De-Liang; Bell, Nicola L.; Cronin, Leroy","Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics","Chemical Science","2020","11","9","2388","2393","10.1039/C9SC06217C","","","0.71073","MoKα","","0.0775","0.0591","","","0.1527","0.1884","","","","","","1.152","","","","has coordinates,has disorder","257371","2020-10-21","18:00:00",""
"1557738","32.3898","0.0003","32.3898","0.0003","72.8225","0.0007","90","","90","","120","","66162.6","1.1","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C120 H806 Mo132 N48 O676 S3 -","- C120 H150 Mo132 O572.1 -","- C360 H450 Mo396 O1716.3 -","3","0.166667","","Pow, Robert W.; Xuan, Weimin; Long, De-Liang; Bell, Nicola L.; Cronin, Leroy","Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics","Chemical Science","2020","11","9","2388","2393","10.1039/C9SC06217C","","","0.6889","Synchrotron","","0.0698","0.064","","","0.2086","0.2176","","","","","","1.082","","","","has coordinates,has disorder","257371","2020-10-21","18:00:00",""
"1557739","32.4465","0.0002","32.4465","0.0002","72.887","0.0005","90","","90","","120","","66453.3","0.7","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C120 H926 Mo132 N48 O736 S3 -","- C115.8 H100.2 Mo132 O580.2 -","- C347.4 H300.6 Mo396 O1740.6 -","3","0.166667","","Pow, Robert W.; Xuan, Weimin; Long, De-Liang; Bell, Nicola L.; Cronin, Leroy","Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics","Chemical Science","2020","11","9","2388","2393","10.1039/C9SC06217C","","","0.6889","Synchrotron","","0.0661","0.0598","","","0.1943","0.2012","","","","","","1.066","","","","has coordinates,has disorder","257371","2020-10-21","18:00:00",""
"1557740","4.6221","0.0004","19.4673","0.0019","14.7079","0.0013","90","","98.627","0.004","90","","1308.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Cd O6 P2 -","- C10 H14 Cd O6 P2 -","- C40 H56 Cd4 O24 P8 -","4","1","","Zeng, Tianyu; Shi, Dajun; Cheng, Qingrong; Liao, Guiying; Zhou, Hong; Pan, Zhiquan","Construction of novel phosphonate-based MOF/P‒TiO2 heterojunction photocatalysts: enhanced photocatalytic performance and mechanistic insight","Environmental Science: Nano","2020","7","3","861","879","10.1039/C9EN01180C","","","0.71073","MoKα","","0.0936","0.05","","","0.0821","0.0904","","","","","","1.015","","","","has coordinates","258159","2020-10-21","18:00:00",""
"1557741","10.402","0.0008","22.6864","0.0017","12.1807","0.001","90","","92.034","0.001","90","","2872.6","0.4","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Mn2 N2 O12 -","- C26 H32 Mn2 N2 O12 -","- C104 H128 Mn8 N8 O48 -","4","1","","MIKURIYA, Masahiro; KOYAMA, Yoshiki; YOSHIOKA, Daisuke; MITSUHASHI, Ryoji","Dinuclear Manganese(III) Complex with a Schiff-base Having a Di-μ-acetato-μ-alkoxido-bridged Core","X-ray Structure Analysis Online","2020","36","0","7","9","10.2116/xraystruct.36.7","","","0.71073","MoKα","","0.0793","0.0495","","","0.1063","0.1218","","","","","","1.006","","","","has coordinates,has disorder","258171","2020-10-21","18:00:00",""
"1557742","5.8207","0.0003","11.2873","0.0005","6.3126","0.0004","90","","90","","90","","414.74","0.04","298","1","298","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 H0.064 D0.936 O5 Sb -","- C2 H0.064 D0.936 O5 Sb -","- C8 H0.256 D3.744 O20 Sb4 -","4","0.5","","Kohlmann, Holger; Rauchmaul, Anne; Keilholz, Simon; Franz, Alexandra","Crystal Structure and Thermal Behavior of SbC2O4OH and SbC2O4OD","Inorganics","2020","8","3","21","","10.3390/inorganics8030021","powder diffraction","","1.79725","ConstantWavelengthNeutronDiffraction","","","","","","","","","6.1932","1.99","","","","","","","has coordinates","250385","2020-10-21","18:00:00",""
"1557744","6.689","0.003","6.689","0.003","17.403","0.006","90","","90","","120","","674.3","0.5","293","2","293","2","","","","","","","","2","P 32 2 1","P 32 2""","154","","","eliopoulosite","- S8 V7 -","- S8 V7.015 -","- S24 V21.045 -","3","0.5","","Bindi, Luca; Zaccarini, Federica; Bonazzi, Paola; Grammatikopoulos, Tassos; Tsikouras, Basilios; Stanley, Chris; Garuti, Giorgio","Eliopoulosite, V7S8, A New Sulfide from the Podiform Chromitite of the Othrys Ophiolite, Greece","Minerals","2020","10","3","245","","10.3390/min10030245","","","0.71073","MoKα","","0.0537","0.0363","","","0.1681","0.1741","","","","","","0.924","","","","has coordinates","250387","2020-10-21","18:00:00",""
"1557745","13.9484","0.0012","18.528","0.0016","7.0215","0.0008","90","","90","","90","","1814.6","0.3","293","1","293","1","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C9 H8 K N O3 -","- C9 H8 K N O3 -","- C72 H64 K8 N8 O24 -","8","1","","Bakalorz, Karolina; Przypis, Łukasz; Tomczyk, Mateusz Michał; Książek, Maria; Grzesik, Ryszard; Kuźnik, Nikodem","Unprecedented Water Effect as a Key Element in Salicyl-Glycine Schiff Base Synthesis.","Molecules (Basel, Switzerland)","2020","25","5","1257","","10.3390/molecules25051257","","","0.71073","MoKα","","0.0525","0.0387","","","0.084","0.0894","","","","","","1.084","","","","has coordinates","250388","2020-10-21","18:00:00",""
"1557746","18.879","0.003","6.2395","0.0006","8.7555","0.0009","90","","99.765","0.012","90","","1016.4","0.2","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 K N O4 -","- C9 H9 K N O4 -","- C36 H36 K4 N4 O16 -","4","1","","Bakalorz, Karolina; Przypis, Łukasz; Tomczyk, Mateusz Michał; Książek, Maria; Grzesik, Ryszard; Kuźnik, Nikodem","Unprecedented Water Effect as a Key Element in Salicyl-Glycine Schiff Base Synthesis.","Molecules (Basel, Switzerland)","2020","25","5","1257","","10.3390/molecules25051257","","","1.54184","CuKα","","0.0869","0.0615","","","0.1611","0.1854","","","","","","1.077","","","","has coordinates,has disorder","250388","2020-10-21","18:00:00",""
"1557747","10.6954","0.0005","29.2218","0.0014","28.2691","0.0015","90","","95.3952","0.0016","90","","8796.1","0.8","150","2","149.97","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H96 Ca2 Cl N6 O36 V12 -","- C44 H96 Ca2 Cl N6 O36 V12 -","- C176 H384 Ca8 Cl4 N24 O144 V48 -","4","1","","Greiner, Simon; Schwarz, Benjamin; Ringenberg, Mark; Dürr, Maximilian; Ivanovic-Burmazovic, Ivana; Fichtner, Maximilian; Anjass, Montaha; Streb, Carsten","Redox-inactive ions control the redox-activity of molecular vanadium oxides","Chemical Science","2020","11","17","4450","4455","10.1039/D0SC01401J","","","0.71073","MoKα","","0.096","0.0815","","","0.1795","0.1883","","","","","","1.165","","","","has coordinates,has disorder","257321","2020-10-21","18:00:00",""
"1557748","9.2313","0.0001","9.3742","0.0001","11.8955","0.0001","84.254","0.001","67.426","0.001","81.238","0.001","938.451","0.018","90","0.4","90","0.4","","","","","","","","4","P -1","-P 1","2","","5,6,10b-triazaacephenanthrylene","","- C26 H15 N5 O -","- C26 H15 N5 O -","- C52 H30 N10 O2 -","2","1","","Gryl, Marlena; Ostrowska, Katarzyna; Barquera-Lozada, Jose Enrique; Stadnicka, Katarzyna M.","Unveiling the Impact of Aggregation on Optical Anisotropy of Triazaacephenanthrylene Single Crystals. A Combined Quantum Crystallography and Conceptual Density Functional Theory Approach.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.9b10651","","x-ray","0.71073","MoKα","","0.071","0.033","","","","0.026","0.035","","","","","1.051","","","","has coordinates","250465","2020-10-21","18:00:00",""
"1557749","7.3222","0.0002","16.3645","0.0005","22.9119","0.0006","90","","90","","90","","2745.4","0.13","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","((S)-3-(2,6-diethylbenzyl)-1-(5-(trifluoromethyl)pyridin-2-yl)-3,4-dihydroisoquinoline) palladium(II) chloride","","- C27 H27 Cl4 F3 N2 Pd -","- C27 H27 Cl4 F3 N2 Pd -","- C108 H108 Cl16 F12 N8 Pd4 -","4","1","","Baek, Doohyun; Ryu, Huijeong; Ryu, Ji Yeon; Lee, Junseong; Stoltz, Brian M.; Hong, Sukwon","Catalytic enantioselective synthesis of tetrasubstituted chromanones via palladium-catalyzed asymmetric conjugate arylation using chiral pyridine-dihydroisoquinoline ligands","Chemical Science","2020","11","18","4602","4607","10.1039/D0SC00412J","","","0.71073","MoKα","","0.0676","0.0441","","","0.0932","0.1018","","","","","","0.996","","","","has coordinates","257389","2020-10-21","18:00:00",""
"1557750","23.2747","0.0004","6.7781","0.0001","10.2443","0.0002","90","","91.9349","0.0017","90","","1615.2","0.05","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","(S)-2-(4-(tert-butyl)phenyl)-2-methylchroman-4-one","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Baek, Doohyun; Ryu, Huijeong; Ryu, Ji Yeon; Lee, Junseong; Stoltz, Brian M.; Hong, Sukwon","Catalytic enantioselective synthesis of tetrasubstituted chromanones via palladium-catalyzed asymmetric conjugate arylation using chiral pyridine-dihydroisoquinoline ligands","Chemical Science","2020","11","18","4602","4607","10.1039/D0SC00412J","","","0.71073","MoKα","","0.0315","0.0306","","","0.0793","0.0802","","","","","","1.043","","","","has coordinates","257389","2020-10-21","18:00:00",""
"1557751","14.6285","0.0004","29.9816","0.0007","20.5191","0.0005","90","","94.548","0.007","90","","8971","0.4","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H94 N7 O18 V7 -","- C66 H94 N7 O18 V7 -","- C264 H376 N28 O72 V28 -","4","1","IS4043","Kodama, Shintaro; Kondo, Shota; Nomoto, Akihiro; Ogawa, Akiya","Tris(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine)(<i>trans</i>-4-<i>tert</i>-butylcyclohexanolato)deca-μ-oxido-heptaoxidoheptavanadium acetonitrile monosolvate including another unknown solvent molecule","IUCrData","2020","5","4","x200449","","10.1107/S2414314620004496","","","0.71075","MoKα","","0.0956","0.0738","","","0.1891","0.2017","","","","","","1.015","","","","has coordinates,has Fobs","250494","2020-10-21","18:00:00",""
"1557752","8.7612","0.0008","13.1852","0.0013","16.4458","0.0019","90","","94.4","0.009","90","","1894.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~4~-3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine]di-μ-iodido-dicopper(I)]","","- C12 H16 Cu2 I2 N2 S4 -","- C12 H16 Cu2 I2 N2 S4 -","- C48 H64 Cu8 I8 N8 S16 -","4","1","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Poly[[μ~4~-3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine]di-μ-iodido-dicopper(I)]: a two-dimensional copper(I) coordination polymer","IUCrData","2020","5","4","x200467","","10.1107/S2414314620004678","","","0.71073","MoKα","","0.045","0.0359","","","0.0783","0.0837","","","","","","1.161","","","","has coordinates,has Fobs","250495","2020-10-21","18:00:00",""
"1557753","5.3009","0.0008","8.625","0.0012","10.6976","0.0014","90","","91.146","0.005","90","","489","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,2,3,3,4,4,5,5-Octafluorohexane-1,6-diol","","- C6 H6 F8 O4 -","- C6 H6 F8 O4 -","- C12 H12 F16 O8 -","2","1","LH4054","Feightner, Kylie; Powell, Douglas R.; Burba, Christopher M.","2,2,3,3,4,4,5,5-Octafluorohexane-1,6-diol","IUCrData","2020","5","4","x200445","","10.1107/S2414314620004459","","","0.71073","MoKα","","0.0389","0.0379","","","0.0982","0.0998","","","","","","1.001","","","","has coordinates,has Fobs","250496","2020-10-21","18:00:00",""
"1557755","38.495","0.002","7.8252","0.0005","36.789","0.002","90","","115.523","0.004","90","","10000.5","1","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C136 H116 N6 Zn -","- C136 H116 N6 Zn -","- C544 H464 N24 Zn4 -","4","0.5","","Wang, Chunlai; Zhao, Muyuan; Rheingold, Arnold L.; Sauvé, Geneviève","Structure‒Property Study of Homoleptic Zinc(II) Complexes of Di(arylethynyl) Azadipyrromethene as Nonfullerene Acceptors for Organic Photovoltaics: Effect of the Aryl Group","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00401","","x-ray","1.54178","CuKα","","0.1293","0.0905","","","0.2029","0.2257","","","","","","1.074","","","","has coordinates,has disorder","250513","2020-10-21","18:00:00",""
"1557756","19.5977","0.0003","18.3817","0.0003","34.4782","0.0005","90","","92.16","0.001","90","","12411.6","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C152 H124 N6 Zn -","- C152 H124 N6 Zn -","- C608 H496 N24 Zn4 -","4","1","","Wang, Chunlai; Zhao, Muyuan; Rheingold, Arnold L.; Sauvé, Geneviève","Structure‒Property Study of Homoleptic Zinc(II) Complexes of Di(arylethynyl) Azadipyrromethene as Nonfullerene Acceptors for Organic Photovoltaics: Effect of the Aryl Group","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c00401","","","1.54178","CuKα","","0.07","0.0479","","","0.1227","0.1348","","","","","","1.037","","","","has coordinates","250514","2020-10-21","18:00:00",""
"1557759","10.4967","0.0013","35.322","0.006","10.5918","0.0014","90","","107.076","0.005","90","","3753.9","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H34 B2 F4 N4 O2 -","- C45 H34 B2 F4 N4 O2 -","- C180 H136 B8 F16 N16 O8 -","4","1","","Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Pandey, Daya Shankar","Controlling Photophysical Properties of Systems Containing Multiple BODIPY Units Linked by Methylene Bridge","The Journal of Physical Chemistry C","2020","124","16","9056","9067","10.1021/acs.jpcc.0c00690","","","0.71073","MoKα","","0.094","0.0652","","","0.1703","0.1878","","","","","","1.037","","","","has coordinates","257155","2020-10-21","18:00:00",""
"1557760","7.5797","0.0007","9.1057","0.0009","27.371","0.003","90","","95.218","0.001","90","","1881.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 S3 Sb -","- C6 H11 S3 Sb -","- C48 H88 S24 Sb8 -","8","2","","Moaven, Shiva; Watson, Brandon T.; Thompson, Shelby B.; Lyons, Veronica J.; Unruh, Daniel K.; Casadonte, Dominick J.; Pappas, Dimitri; Cozzolino, Anthony F.","Self-assembly of reversed bilayer vesicles through pnictogen bonding: water-stable supramolecular nanocontainers for organic solvents","Chemical Science","2020","11","17","4374","4380","10.1039/D0SC00206B","","","0.71073","MoKα","","0.0212","0.0178","","","0.0412","0.0429","","","","","","1.069","","","","has coordinates","257318","2020-10-21","18:00:00",""
"1557761","13.2446","0.0005","13.7731","0.0005","20.2266","0.0008","94.923","0.003","102.959","0.003","114.918","0.004","3192.4","0.3","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C71 H53 B Cl2 F20 N2 -","- C71 H53 B Cl2 F20 N2 -","- C142 H106 B2 Cl4 F40 N4 -","2","1","","Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay","SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes","Chemical Science","2020","11","29","7615","7618","10.1039/D0SC01278E","","x-ray","1.54184","CuKα","","0.0542","0.0433","","","0.1097","0.1185","","","","","","1.025","","","","has coordinates","257282","2020-10-21","18:00:00",""
"1557762","8.40488","0.00013","18.0272","0.0003","11.0843","0.00015","90","","91.4773","0.0013","90","","1678.9","0.04","140","0.1","140","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H21 B F20 N2 -","- C35 H21 B F20 N2 -","- C70 H42 B2 F40 N4 -","2","1","","Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay","SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes","Chemical Science","2020","11","29","7615","7618","10.1039/D0SC01278E","","x-ray","1.54184","CuKα","","0.0284","0.028","","","0.0772","0.0774","","","","","","1.065","","","","has coordinates","257282","2020-10-21","18:00:00",""
"1557763","12.4784","0.0002","12.6328","0.0003","17.6483","0.0005","69.366","0.002","84.7909","0.0018","78.9069","0.0016","2554.12","0.11","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H39 B Cl2 F20 N2 -","- C52 H39 B Cl2 F20 N2 -","- C104 H78 B2 Cl4 F40 N4 -","2","1","","Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay","SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes","Chemical Science","2020","11","29","7615","7618","10.1039/D0SC01278E","","x-ray","1.54184","CuKα","","0.054","0.052","","","0.1491","0.151","","","","","","1.022","","","","has coordinates,has disorder","257282","2020-10-21","18:00:00",""
"1557764","18.0482","0.0003","18.05071","0.00019","34.8012","0.0005","90","","90","","90","","11337.6","0.3","140","0.1","140","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H39 B F20 N2 -","- C64 H39 B F20 N2 -","- C512 H312 B8 F160 N16 -","8","1","","Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay","SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes","Chemical Science","2020","11","29","7615","7618","10.1039/D0SC01278E","","x-ray","1.54184","CuKα","","0.0453","0.0402","","","0.1068","0.1109","","","","","","1.046","","","","has coordinates","257282","2020-10-21","18:00:00",""
"1557765","26.3104","0.0004","8.4587","0.0001","15.7403","0.0003","90","","93.63","0.001","90","","3496","0.09","109","","109","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","zinc(II) hexathiocyantosbismuthate(III)","","- C12 Bi2 N12 S12 Zn3 -","- C12 Bi2 N12 S12 Zn3 -","- C48 Bi8 N48 S48 Zn12 -","4","0.5","","Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.","The structures of ordered defects in thiocyanate analogues of Prussian Blue","Chemical Science","2020","11","17","4430","4438","10.1039/D0SC01246G","","x-ray","0.71073","MoKα","","0.0336","0.0259","","","0.0568","0.0596","","","","","","1.067","","","","has coordinates","257320","2020-10-21","18:00:00",""
"1557766","17.7331","0.0006","13.6501","0.0004","16.4375","0.0004","90","","114.397","0.0012","90","","3623.55","0.19","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","zinc hexathiocyanatobismuthate","","- C12 Bi2 N12 S12 Zn3 -","- C12 Bi2 N12 S12 Zn3 -","- C48 Bi8 N48 S48 Zn12 -","4","1","","Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.","The structures of ordered defects in thiocyanate analogues of Prussian Blue","Chemical Science","2020","11","17","4430","4438","10.1039/D0SC01246G","","x-ray","0.71073","MoKα","","0.078","0.0507","","","0.1078","0.1206","","","","","","1.046","","","","has coordinates","257320","2020-10-21","18:00:00",""
"1557767","8.3065","0.0002","25.8428","0.0006","12.2664","0.0003","90","","90.2358","0.0013","90","","2633.12","0.11","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","manganese hexathiocyanatobismuthate thiocyanate heptahydrate","","- C7 H14 Bi Mn2 N7 O7 S7 -","- C7 H14 Bi Mn2 N7 O7 S7 -","- C28 H56 Bi4 Mn8 N28 O28 S28 -","4","1","","Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.","The structures of ordered defects in thiocyanate analogues of Prussian Blue","Chemical Science","2020","11","17","4430","4438","10.1039/D0SC01246G","","","1.5418","CuKα","","0.0547","0.0376","","","0.085","0.0927","","","","","","1.024","","","","has coordinates,has disorder","257320","2020-10-21","18:00:00",""
"1557768","12.0209","0.0002","12.1613","0.0002","23.8319","0.0004","94.2","0.001","94.003","0.001","91.452","0.001","3464.52","0.1","180","","180","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H76 Bi6 Co9 N36 O38 S36 -","- C36 Bi6 Co9 N36 O38 S36 -","- C36 Bi6 Co9 N36 O38 S36 -","1","0.5","","Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.","The structures of ordered defects in thiocyanate analogues of Prussian Blue","Chemical Science","2020","11","17","4430","4438","10.1039/D0SC01246G","","x-ray","0.71073","MoKα","","0.0791","0.0587","","","0.1117","0.1201","","","","","","1.129","","","","has coordinates,has disorder","257320","2020-10-21","18:00:00",""
"1557769","11.8567","0.0002","11.8653","0.0002","18.3824","0.0004","84.0731","0.0007","76.714","0.0007","85.1942","0.0008","2498.6","0.08","111","","111","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H74 Bi5 N33 Ni6 O16 S30 -","- C30 H8 Bi5 N33 Ni6 O16 S30 -","- C30 H8 Bi5 N33 Ni6 O16 S30 -","1","0.5","","Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.","The structures of ordered defects in thiocyanate analogues of Prussian Blue","Chemical Science","2020","11","17","4430","4438","10.1039/D0SC01246G","","x-ray","0.71073","MoKα","","0.0737","0.0433","","","0.0664","0.0742","","","","","","1.036","","","","has coordinates,has disorder","257320","2020-10-21","18:00:00",""
"1557770","8.3698","0.0003","26.0037","0.0009","12.2466","0.0004","90","","91.208","0.002","90","","2664.83","0.16","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","manganese hexathiocyanatobismuthate thiocyanate heptahydrate","","- C7 H14 Bi Mn2 N7 O7 S7 -","- C7 H14 Bi Mn2 N7 O7 S7 -","- C28 H56 Bi4 Mn8 N28 O28 S28 -","4","1","","Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.","The structures of ordered defects in thiocyanate analogues of Prussian Blue","Chemical Science","2020","11","17","4430","4438","10.1039/D0SC01246G","","","1.5418","CuKα","","0.0913","0.0553","","","0.1326","0.1544","","","","","","1.017","","","","has coordinates,has disorder","257320","2020-10-21","18:00:00",""
"1557775","13.1254","0.0007","8.1029","0.0004","12.686","0.0007","90","","109.249","0.006","90","","1273.78","0.13","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C64 H52 N12 O4 -","4","1","","Li, Baixue; Qin, Anjun; Tang, Ben Zhong","Metal-free polycycloaddition of aldehyde-activated internal diynes and diazides toward post-functionalizable poly(formyl-1,2,3-triazole)s","Polymer Chemistry","2020","11","17","3075","3083","10.1039/D0PY00193G","","x-ray","1.54184","CuKα","","0.045","0.0437","","","0.1074","0.1083","","","","","","1.077","","","","has coordinates","257937","2020-10-21","18:00:00",""
"1557776","11.065","0.0008","15.5926","0.0012","9.3078","0.0006","90","","108.433","0.002","90","","1523.5","0.19","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N4 -","- C18 H14 N4 -","- C72 H56 N16 -","4","1","","Li, Baixue; Qin, Anjun; Tang, Ben Zhong","Metal-free polycycloaddition of aldehyde-activated internal diynes and diazides toward post-functionalizable poly(formyl-1,2,3-triazole)s","Polymer Chemistry","2020","11","17","3075","3083","10.1039/D0PY00193G","","","0.71073","MoKα","","0.0821","0.0537","","","0.1403","0.1721","","","","","","1.005","","","","has coordinates","257937","2020-10-21","18:00:00",""
"1557777","9.1045","0.0015","9.4078","0.0014","9.9658","0.0017","110.846","0.005","92.668","0.005","107.055","0.005","751.7","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 N4 -","- C18 H14 N4 -","- C36 H28 N8 -","2","1","","Li, Baixue; Qin, Anjun; Tang, Ben Zhong","Metal-free polycycloaddition of aldehyde-activated internal diynes and diazides toward post-functionalizable poly(formyl-1,2,3-triazole)s","Polymer Chemistry","2020","11","17","3075","3083","10.1039/D0PY00193G","","","0.71073","MoKα","","0.0944","0.0679","","","0.1817","0.1939","","","","","","1.001","","","","has coordinates","257937","2020-10-21","18:00:00",""
"1557783","15.1713","0.0005","14.8958","0.0004","22.0423","0.0012","90","","106.726","0.004","90","","4770.6","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H83 Cl4 Mo4 N12 O16 -","- C86 H83 Cl4 Mo4 N12 O16 -","- C172 H166 Cl8 Mo8 N24 O32 -","2","0.5","","Meng, Miao; Tang, Zheng; Mallick, Suman; Luo, Ming Hui; Tan, Zhibing; Liu, Jun-Yang; Shi, Jia; Yang, Yang; Liu, Chun Y.; Hong, Wenjing","Enhanced charge transport via d(δ)-p(π) conjugation in Mo<sub>2</sub>-integrated single-molecule junctions.","Nanoscale","2020","12","18","10320","10327","10.1039/d0nr00195c","","x-ray","1.54184","CuKα","","0.1257","0.1024","","","0.2697","0.286","","","","","","1.11","","","","has coordinates,has disorder","252853","2020-10-21","18:00:00",""
"1557784","12.1607","0.0014","12.8866","0.0016","13.626","0.0012","76.922","0.009","89.914","0.008","69.182","0.011","1936.8","0.4","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 Mo2 N6 O8 -","- C42 H38 Mo2 N6 O8 -","- C84 H76 Mo4 N12 O16 -","2","1","","Meng, Miao; Tang, Zheng; Mallick, Suman; Luo, Ming Hui; Tan, Zhibing; Liu, Jun-Yang; Shi, Jia; Yang, Yang; Liu, Chun Y.; Hong, Wenjing","Enhanced charge transport via d(δ)-p(π) conjugation in Mo<sub>2</sub>-integrated single-molecule junctions.","Nanoscale","2020","12","18","10320","10327","10.1039/d0nr00195c","","x-ray","1.54184","CuKα","","0.1569","0.1007","","","0.2518","0.2858","","","","","","1.124","","","","has coordinates,has disorder","252853","2020-10-21","18:00:00",""
"1557785","22.4736","0.0019","24.012","0.002","20.6252","0.0017","90","","97.765","0.002","90","","11028","1.6","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C69 H154 O47 Ti17 -","- C48 H102 O46 Ti17 -","- C192 H408 O184 Ti68 -","4","0.5","","Liu, Caiyun; Hu, Junyi; Biswas, Subharanjan; Zhu, Feng; Zhan, Jinhua; Wang, Guo; Tung, Chen-Ho; Wang, Yifeng","Surface-Enhanced Raman Scattering of Phenols and Catechols by a Molecular Analogue of Titanium Dioxide.","Analytical chemistry","2020","92","8","5929","5936","10.1021/acs.analchem.0c00047","","","0.71073","MoKα","","0.1231","0.0676","","","0.1849","0.2127","","","","","","1.063","","","","has coordinates,has disorder","251432","2020-10-21","18:00:00",""
"1557786","6.7541","0.0008","13.6991","0.0017","21.781","0.003","90","","90","","90","","2015.3","0.4","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H36 O5 -","- C21 H36 O5 -","- C84 H144 O20 -","4","1","","Gao, Yu-Qi; Li, Ruoxin; Wang, Weiwei; Lee, Shoei-Sheng; Gao, Jin-Ming","Microbial Transformations of two Beyerane-type Diterpenes by Cunninghamella echinulata.","Journal of agricultural and food chemistry","2020","","","","","10.1021/acs.jafc.0c00592","","","0.71073","MoKα","","0.0471","0.0418","","","0.1184","0.1238","","","","","","1.065","","","","has coordinates","250724","2020-10-21","18:00:00",""
"1557787","8.0964","0.0009","14.0282","0.0013","17.5127","0.0017","90","","90","","90","","1989.1","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H36 O5 -","- C21 H36 O5 -","- C84 H144 O20 -","4","1","","Gao, Yu-Qi; Li, Ruoxin; Wang, Weiwei; Lee, Shoei-Sheng; Gao, Jin-Ming","Microbial Transformations of two Beyerane-type Diterpenes by Cunninghamella echinulata.","Journal of agricultural and food chemistry","2020","","","","","10.1021/acs.jafc.0c00592","","","0.71073","MoKα","","0.0561","0.0366","","","0.0806","0.0949","","","","","","1.078","","","","has coordinates","250725","2020-10-21","18:00:00",""
"1557788","8.3415","0.0004","10.1215","0.0004","25.9996","0.0012","90","","90","","90","","2195.11","0.17","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H14 I N2 O2 -","- C10 H14 I N2 O2 -","- C80 H112 I8 N16 O16 -","8","1","","Yang, Zhimin; Stein, Richard A.; Ngendahimana, Thacien; Pink, Maren; Rajca, Suchada; Jeschke, Gunnar; Eaton, Sandra S.; Eaton, Gareth R.; Mchaourab, Hassane S.; Rajca, Andrzej","Supramolecular Approach to Electron Paramagnetic Resonance Distance Measurement of Spin-Labeled Proteins.","The journal of physical chemistry. B","2020","","","","","10.1021/acs.jpcb.0c00743","","","0.71073","MoKα","","0.0225","0.0172","","","0.0551","0.0694","","","","","","1.301","","","","has coordinates","250737","2020-10-21","18:00:00",""
"1557789","4.519","0.003","5.503","0.008","4.888","0.002","90","","90.59","0.08","90","","121.5","0.2","","","293","","","","","","","","","2","P 1 2/c 1","-P 2yc","13","Riesite IMA-2015-110","","","- O2 Ti -","- O2 Ti -","- O8 Ti4 -","4","1","","Oliver Tschauner; Chi Ma; Antonio Lanzirotti; Matthew G. Newville","Riesite, a New High Pressure Polymorph of TiO2 from the Ries Impact Structure","Minerals","2020","10","","78","","10.3390/min10010078","powder diffraction","x-ray","0.6199","","","","","","","","","0.078","0.096","","","","","","","","has coordinates","250752","2020-10-21","18:00:00",""
"1557790","14.502","0.0012","12.866","0.0009","20.32","0.0019","90","","106.828","0.005","90","","3629","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H39 B F4 N2 O2 -","- C43 H39 B F4 N2 O2 -","- C172 H156 B4 F16 N8 O8 -","4","1","","Zhou, Chengcheng; Jiang, Meijuan; Du, Jian; Bai, Haotian; Shan, Guogang; Kwok, Ryan T. K.; Chau, Joe H. C.; Zhang, Jun; Lam, Jacky W. Y.; Huang, Peng; Tang, Ben Zhong","One stone, three birds: one AIEgen with three colors for fast differentiation of three pathogens","Chemical Science","2020","11","18","4730","4740","10.1039/D0SC00256A","","","0.71069","MoKα","","0.205","0.0914","","","0.2067","0.242","","","","","","1.156","","","","has coordinates,has disorder","257391","2020-10-21","18:00:00",""
"1557794","31.3413","0.0007","31.3413","0.0007","31.3413","0.0007","90","","90","","90","","30785.8","1.2","173","2","173","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C10 H2 In N4 O8 -","- C10 H2 In N4 O8 -","- C480 H96 In48 N192 O384 -","48","0.5","","Huang, Qi; Guo, Yuanyuan; Wang, Xian; Chai, Lulu; Ding, Junyang; Zhong, Li; Li, Ting-Ting; Hu, Yue; Qian, Jinjie; Huang, Shaoming","In-MOF-derived ultrathin heteroatom-doped carbon nanosheets for improving oxygen reduction.","Nanoscale","2020","12","18","10019","10025","10.1039/d0nr02007a","","","1.54184","CuKα","","0.1028","0.0686","","","0.216","0.2453","","","","","","1.097","","","","has coordinates,has disorder","252851","2020-10-21","18:00:00",""
"1557795","11.4485","0.0007","9.3218","0.0006","23.3115","0.0014","90","","92.268","0.002","90","","2485.9","0.3","273","2","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 F Ir N3 O -","- C31 H21 F Ir N3 O -","- C124 H84 F4 Ir4 N12 O4 -","4","1","","Qin, Li-Qin; Zou, Bi-Qun; Qin, Qi-Pin; Wang, Zhen-Feng; Yang, Lin; Tan, Ming-Xiong; Liang, Chun-Jie; Liang, Hong","Highly cytotoxic, cyclometalated iridium(iii)-5-fluoro-8-quinolinol complexes as cancer cell mitochondriotropic agents","New Journal of Chemistry","2020","44","19","7832","7837","10.1039/D0NJ00465K","","","0.71073","MoKα","","0.0434","0.028","","","0.0663","0.0796","","","","","","1.134","","","","has coordinates","257764","2020-10-21","18:00:00",""
"1557796","10.7444","0.0008","22.9897","0.0012","10.6487","0.0006","90","","96.221","0.006","90","","2614.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 F Ir N5 O3 -","- C29 H27 F Ir N5 O3 -","- C116 H108 F4 Ir4 N20 O12 -","4","1","","Qin, Li-Qin; Zou, Bi-Qun; Qin, Qi-Pin; Wang, Zhen-Feng; Yang, Lin; Tan, Ming-Xiong; Liang, Chun-Jie; Liang, Hong","Highly cytotoxic, cyclometalated iridium(iii)-5-fluoro-8-quinolinol complexes as cancer cell mitochondriotropic agents","New Journal of Chemistry","2020","44","19","7832","7837","10.1039/D0NJ00465K","","x-ray","0.71073","MoKα","","0.0746","0.0435","","","0.0853","0.0972","","","","","","0.995","","","","has coordinates","257764","2020-10-21","18:00:00",""
"1557797","21.5039","0.0006","16.6692","0.0005","14.8357","0.0004","90","","101.136","0.003","90","","5217.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H21 F Ir N3 O -","- C35 H21 F Ir N3 O -","- C280 H168 F8 Ir8 N24 O8 -","8","1","","Qin, Li-Qin; Zou, Bi-Qun; Qin, Qi-Pin; Wang, Zhen-Feng; Yang, Lin; Tan, Ming-Xiong; Liang, Chun-Jie; Liang, Hong","Highly cytotoxic, cyclometalated iridium(iii)-5-fluoro-8-quinolinol complexes as cancer cell mitochondriotropic agents","New Journal of Chemistry","2020","44","19","7832","7837","10.1039/D0NJ00465K","","x-ray","0.71073","MoKα","","0.0966","0.0448","","","0.0516","0.0624","","","","","","0.999","","","","has coordinates","257764","2020-10-21","18:00:00",""
"1557798","20.4836","0.0017","16.3026","0.0014","15.6214","0.0013","90","","100.056","0.003","90","","5136.4","0.7","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H25 F Ir N3 O -","- C33 H25 F Ir N3 O -","- C264 H200 F8 Ir8 N24 O8 -","8","1","","Qin, Li-Qin; Zou, Bi-Qun; Qin, Qi-Pin; Wang, Zhen-Feng; Yang, Lin; Tan, Ming-Xiong; Liang, Chun-Jie; Liang, Hong","Highly cytotoxic, cyclometalated iridium(iii)-5-fluoro-8-quinolinol complexes as cancer cell mitochondriotropic agents","New Journal of Chemistry","2020","44","19","7832","7837","10.1039/D0NJ00465K","","","0.71073","MoKα","","0.0309","0.021","","","0.0476","0.0513","","","","","","1.044","","","","has coordinates","257764","2020-10-21","18:00:00",""
"1557799","8.07861","0.00016","10.5922","0.0002","8.39036","0.00016","90","","97.3584","0.0019","90","","712.05","0.02","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H16 O7 -","- C15 H16 O7 -","- C30 H32 O14 -","2","1","","Xue, Jinghua; Li, Hanxiang; Wu, Ping; Xu, Liangxiong; Yuan, Yunfei; Wei, Xiaoyi","Bioactive Polyhydroxanthones from Penicillium purpurogenum","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01071","","","1.54178","CuKα","","0.0304","0.0296","","","0.0742","0.0755","","","","","","1.116","","","","has coordinates","250805","2020-10-21","18:00:00",""
"1557800","10.25093","0.00013","14.51735","0.00019","12.5428","0.00019","90","","102.897","0.0014","90","","1819.49","0.04","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H38 O19 -","- C39 H38 O19 -","- C78 H76 O38 -","2","1","","Xue, Jinghua; Li, Hanxiang; Wu, Ping; Xu, Liangxiong; Yuan, Yunfei; Wei, Xiaoyi","Bioactive Polyhydroxanthones from Penicillium purpurogenum","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01071","","","1.54178","CuKα","","0.0355","0.0333","","","0.0845","0.087","","","","","","1.064","","","","has coordinates","250807","2020-10-21","18:00:00",""
"1557801","8.8976","0.0002","13.2445","0.0004","11.7818","0.0003","90","","90.183","0.002","90","","1388.41","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H19 O6.5 -","- C15 H19 O6.5 -","- C60 H76 O26 -","4","2","","Xue, Jinghua; Li, Hanxiang; Wu, Ping; Xu, Liangxiong; Yuan, Yunfei; Wei, Xiaoyi","Bioactive Polyhydroxanthones from Penicillium purpurogenum","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01071","","","1.54178","CuKα","","0.0968","0.0943","","","0.2274","0.2289","","","","","","1.144","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1557802","7.01084","0.00018","10.9717","0.0006","17.1758","0.0006","90","","90","","90","","1321.18","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O6 -","- C15 H16 O6 -","- C60 H64 O24 -","4","1","","Xue, Jinghua; Li, Hanxiang; Wu, Ping; Xu, Liangxiong; Yuan, Yunfei; Wei, Xiaoyi","Bioactive Polyhydroxanthones from Penicillium purpurogenum","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01071","","","1.54184","CuKα","","0.03","0.0291","","","0.0739","0.0751","","","","","","1.087","","","","has coordinates","250809","2020-10-21","18:00:00",""
"1557803","4.9863","0.0001","11.0727","0.0003","24.1254","0.0007","90","","95.681","0.002","90","","1325.46","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","2","","Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix","Polymeric Helical Structures à la Carte by Rational Design of Monomers","Macromolecules","2020","53","8","3182","3193","10.1021/acs.macromol.0c00085","","x-ray","1.54184","CuKα","","0.0266","0.0249","","","0.0566","0.058","","","","","","1.06","","","","has coordinates","257165","2020-10-21","18:00:00",""
"1557804","19.191","0.002","9.515","0.0011","7.2721","0.001","90","","99.117","0.008","90","","1311.1","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","R-o-MA","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix","Polymeric Helical Structures à la Carte by Rational Design of Monomers","Macromolecules","2020","53","8","3182","3193","10.1021/acs.macromol.0c00085","","x-ray","0.71073","MoKα","","0.0904","0.0511","","","0.0882","0.1038","","","","","","0.963","","","","has coordinates","257165","2020-10-21","18:00:00",""
"1557805","4.9936","0.0008","10.8879","0.0016","23.631","0.003","90","","90","","90","","1284.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","S-m-ClMA","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","1","","Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix","Polymeric Helical Structures à la Carte by Rational Design of Monomers","Macromolecules","2020","53","8","3182","3193","10.1021/acs.macromol.0c00085","","x-ray","0.71073","MoKα","","0.0932","0.0501","","","0.08","0.0921","","","","","","0.959","","","","has coordinates","257165","2020-10-21","18:00:00",""
"1557806","7.5806","0.0009","7.9701","0.0011","22.102","0.003","90","","90","","90","","1335.4","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","R-p-Ma","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix","Polymeric Helical Structures à la Carte by Rational Design of Monomers","Macromolecules","2020","53","8","3182","3193","10.1021/acs.macromol.0c00085","","x-ray","0.71073","MoKα","","0.0593","0.0424","","","0.0884","0.0953","","","","","","1.026","","","","has coordinates","257165","2020-10-21","18:00:00",""
"1557807","5.3167","0.0002","14.4015","0.0004","17.1898","0.0005","90","","90","","90","","1316.2","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-MandAcetona","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","1","","Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix","Polymeric Helical Structures à la Carte by Rational Design of Monomers","Macromolecules","2020","53","8","3182","3193","10.1021/acs.macromol.0c00085","","x-ray","0.71073","MoKα","","0.0344","0.0304","","","0.0791","0.0818","","","","","","1.07","","","","has coordinates","257165","2020-10-21","18:00:00",""
"1557808","8.4442","0.0012","7.7559","0.0011","10.4879","0.0013","90","","108.302","0.007","90","","652.13","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","R-m-MA","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C32 H26 N2 O4 -","2","1","","Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix","Polymeric Helical Structures à la Carte by Rational Design of Monomers","Macromolecules","2020","53","8","3182","3193","10.1021/acs.macromol.0c00085","","x-ray","0.71073","MoKα","","0.0613","0.0421","","","0.0868","0.0955","","","","","","1.066","","","","has coordinates","257165","2020-10-21","18:00:00",""
"1557810","6.6373","0.0001","13.1251","0.0002","14.4267","0.0002","90","","99.673","0.002","90","","1238.92","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N3 O4 -","- C12 H15 N3 O4 -","- C48 H60 N12 O16 -","4","1","","Anstis, Daniel G.; Lindsay, Ashley C.; Söhnel, Tilo; Sperry, Jonathan","Synthesis of the 1,2,4-Thiadiazole Alkaloid Polyaurine B","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00166","","x-ray","1.54184","CuKα","","0.0373","0.0323","","","0.0856","0.0889","","","","","","1.041","","","","has coordinates","250865","2020-10-21","18:00:00",""
"1557811","8.4764","0.0013","33.008","0.005","40.934","0.006","90","","90","","90","","11453","3","273","2","298.15","","","","","","","","","4","F 2 d d","F -2d 2","43","","","","- C35 H33 N O4 -","- C35 H33 N O4 -","- C560 H528 N16 O64 -","16","1","","Mateos, Javier; Vega-Peñaloza, Alberto; Franceschi, Pietro; Rigodanza, Francesco; Andreetta, Philip; Companyó, Xavier; Pelosi, Giorgio; Bonchio, Marcella; Dell’Amico, Luca","A visible-light Paternò–Büchi dearomatisation process towards the construction of oxeto-indolinic polycycles","Chemical Science","2020","11","25","6532","6538","10.1039/D0SC01569E","","","0.71073","MoKα","","0.0791","0.0427","","","0.0911","0.1049","","","","","","1.013","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1557814","7.9899","0.0005","10.1223","0.0006","11.6441","0.0007","101.878","0.002","104.712","0.002","97.38","0.002","874.95","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","doravirine","3-Chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H -1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl) -1,2-dihydropyridin-3-yl}oxy)benzonitrile","","- C17 H11 Cl F3 N5 O3 -","- C17 H11 Cl F3 N5 O3 -","- C34 H22 Cl2 F6 N10 O6 -","2","1","","Rudd, Nathan D.; Reibarkh, Mikhail; Fang, Rui; Mittal, Sachin; Walsh, Paul L.; Brunskill, Andrew P. J.; Forrest, William P.","Interpreting <i>in vitro</i> Release Performance from Long-Acting Parenteral Nanosuspensions using USP-4 Dissolution and Spectroscopic Techniques.","Molecular pharmaceutics","2020","","","","","10.1021/acs.molpharmaceut.0c00208","","","1.54178","CuKα","","0.0426","0.0424","","","0.1111","0.1112","","","","","","1.093","","","","has coordinates","250898","2020-10-21","18:00:00",""
"1557815","13.6605","0.0017","14.7195","0.0018","17.277","0.002","86.231","0.005","68.978","0.005","80.007","0.005","3193.5","0.7","140","","143.99","","","","","","","","","4","P -1","-P 1","2","","Spiro-OMeTAD","","- C81 H68 N4 O8 -","- C81 H68 N4 O8 -","- C162 H136 N8 O16 -","2","1","","Li, Yin-Xiang; Dong, Xue-Mei; Yu, Meng-Na; Liu, Wei; Nie, Yi-Jie; Eginligil, Mustafa; Liu, Ju-Qing; Jiang, Wen-Jie; Wang, Xiao-Jing; Xu, Chun-Xiang; Xie, Ling-Hai; Huang, Wei","Enhanced emission in organic nanocrystals via asymmetrical design of spirocyclic aromatic hydrocarbons.","Nanoscale","2020","12","18","9964","9968","10.1039/d0nr01436b","","","1.54178","CuKα","","0.0445","0.0414","","","0.1052","0.1079","","","","","","1.0467","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1557816","10.556","0.002","16.36","0.003","20.984","0.003","68.742","0.012","80.019","0.013","71.824","0.014","3201.3","1","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C81 H68 N4 O9 -","- C81 H68 N4 O9 -","- C162 H136 N8 O18 -","2","1","","Li, Yin-Xiang; Dong, Xue-Mei; Yu, Meng-Na; Liu, Wei; Nie, Yi-Jie; Eginligil, Mustafa; Liu, Ju-Qing; Jiang, Wen-Jie; Wang, Xiao-Jing; Xu, Chun-Xiang; Xie, Ling-Hai; Huang, Wei","Enhanced emission in organic nanocrystals via asymmetrical design of spirocyclic aromatic hydrocarbons.","Nanoscale","2020","12","18","9964","9968","10.1039/d0nr01436b","","","1.54178","CuKα","","0.1074","0.0917","","","0.1725","0.1796","","","","","","1.19","","","","has coordinates","252854","2020-10-21","18:00:00",""
"1557817","6.1444","0.0006","12.8514","0.0013","19.3315","0.0019","90","","91.626","0.003","90","","1525.9","0.3","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>,<i>N</i>-Diallyl-5-methoxytryptamine","<i>N</i>-[2-(5-Methoxy-1<i>H</i>-indol-3-yl)ethyl]-<i>N</i>-(prop-2-en-1-yl)prop-2-en-1-amine","","- C17 H22 N2 O -","- C17 H22 N2 O -","- C68 H88 N8 O4 -","4","1","BX4017","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","5-MeO-DALT: the freebase of N,N-diallyl-5-methoxytryptamine","IUCrData","2020","5","4","","","10.1107/S2414314620004988","","","0.71073","MoKα","","0.0598","0.0408","","","0.0941","0.1057","","","","","","1.05","","","","has coordinates,has Fobs","250923","2020-10-21","18:00:00",""
"1557818","9.278","0.0003","10.9501","0.0002","11.6256","0.0003","87.339","0.002","68.312","0.002","88.577","0.002","1096.27","0.05","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 Br N4 O3 -","- C23 H25 Br N4 O3 -","- C46 H50 Br2 N8 O6 -","2","1","","Saini, Vaishali; Krishnan, Rangan; Khungar, Bharti","Exploration of fluorescence behavior of an imidazolium-based chemosensor in solution and in the solid state and its turn-on response to Al<sup>3+</sup> in pure aqueous medium.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","7","931","942","10.1039/c9pp00477g","","x-ray","0.71073","MoKα","","0.0264","0.0224","","","0.0566","0.0582","","","","","","1.058","","","","has coordinates","255105","2020-10-21","18:00:00",""
"1557821","7.2655","0.0001","10.1927","0.0001","24.3238","0.0003","90","","90","","90","","1801.3","0.04","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O8 -","- C20 H28 O8 -","- C80 H112 O32 -","4","1","","Yang, Wei-Qun; Shao, Xue-Hua; Deng, Fang; Hu, Li-Jun; Xiong, Yu; Huang, Xiao-Jun; Fan, Chun-Lin; Jiang, Ren-Wang; Ye, Wen-Cai; Wang, Ying","Unprecedented Quassinoids from Eurycoma longifolia: Biogenetic Evidence and Antifeedant Effects","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00244","","","1.54184","CuKα","","0.0318","0.0315","","","0.0832","0.0836","","","","","","1.072","","","","has coordinates","250943","2020-10-21","18:00:00",""
"1557822","11.2781","0.0002","9.82934","0.00016","11.8906","0.0002","90","","102.641","0.0017","90","","1286.2","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H38 O9 -","- C28 H38 O9 -","- C56 H76 O18 -","2","1","","Yang, Wei-Qun; Shao, Xue-Hua; Deng, Fang; Hu, Li-Jun; Xiong, Yu; Huang, Xiao-Jun; Fan, Chun-Lin; Jiang, Ren-Wang; Ye, Wen-Cai; Wang, Ying","Unprecedented Quassinoids from Eurycoma longifolia: Biogenetic Evidence and Antifeedant Effects","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00244","","","1.54184","CuKα","","0.0469","0.0418","","","0.1017","0.1038","","","","","","1.065","","","","has coordinates","250944","2020-10-21","18:00:00",""
"1557823","10.2039","0.0002","13.7078","0.0005","24.7447","0.0007","90","","90","","90","","3461.12","0.17","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H37 Cl3 O9 -","- C29 H37 Cl3 O9 -","- C116 H148 Cl12 O36 -","4","1","","Yang, Wei-Qun; Shao, Xue-Hua; Deng, Fang; Hu, Li-Jun; Xiong, Yu; Huang, Xiao-Jun; Fan, Chun-Lin; Jiang, Ren-Wang; Ye, Wen-Cai; Wang, Ying","Unprecedented Quassinoids from Eurycoma longifolia: Biogenetic Evidence and Antifeedant Effects","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00244","","","1.54184","CuKα","","0.0935","0.0838","","","0.2269","0.2396","","","","","","1.062","","","","has coordinates","250945","2020-10-21","18:00:00",""
"1557824","10.3686","0.0003","6.6338","0.0002","13.6339","0.0004","90","","103.943","0.003","90","","910.15","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O10 -","- C20 H26 O10 -","- C40 H52 O20 -","2","1","","Yang, Wei-Qun; Shao, Xue-Hua; Deng, Fang; Hu, Li-Jun; Xiong, Yu; Huang, Xiao-Jun; Fan, Chun-Lin; Jiang, Ren-Wang; Ye, Wen-Cai; Wang, Ying","Unprecedented Quassinoids from Eurycoma longifolia: Biogenetic Evidence and Antifeedant Effects","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00244","","","1.54184","CuKα","","0.0521","0.0471","","","0.114","0.1179","","","","","","1.042","","","","has coordinates","250946","2020-10-21","18:00:00",""
"1557825","8.3215","0.0001","10.2604","0.0001","14.326","0.0001","90","","99.725","0.001","90","","1205.6","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H33 O8 -","- C27 H32.772 O8 -","- C54 H65.544 O16 -","2","1","","Yang, Wei-Qun; Shao, Xue-Hua; Deng, Fang; Hu, Li-Jun; Xiong, Yu; Huang, Xiao-Jun; Fan, Chun-Lin; Jiang, Ren-Wang; Ye, Wen-Cai; Wang, Ying","Unprecedented Quassinoids from Eurycoma longifolia: Biogenetic Evidence and Antifeedant Effects","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00244","","x-ray","1.54178","CuKα","","0.0362","0.0361","","","0.0981","0.0983","","","","","","1.067","","","","has coordinates,has disorder","250947","2020-10-21","18:00:00",""
"1557826","14.3857","0.0007","14.7255","0.0006","19.1301","0.0009","84.837","0.002","88.064","0.002","61.889","0.002","3559.7","0.3","120","2","119.98","","","","","","","","","6","P -1","-P 1","2","","Dy2O@Cs(10528)-C72","","- C120 H56 Dy2 N4 Ni O -","- C120 H56 Dy2 N4 Ni O -","- C240 H112 Dy4 N8 Ni2 O2 -","2","1","","Velkos, Georgios; Yang, Wei; Yao, Yang-Rong; Sudarkova, Svetlana M.; Liu, XinYe; Büchner, Bernd; Avdoshenko, Stanislav M.; Chen, Ning; Popov, Alexey A.","Shape-adaptive single-molecule magnetism and hysteresis up to 14 K in oxide clusterfullerenes Dy2O@C72 and Dy2O@C74 with fused pentagon pairs and flexible Dy‒(μ2-O)‒Dy angle","Chemical Science","2020","11","18","4766","4772","10.1039/D0SC00624F","","","1.54178","CuKα","","0.1011","0.0953","","","0.2726","0.28","","","","","","1.049","","","","has coordinates,has disorder","257392","2020-10-21","18:00:00",""
"1557827","17.914","0.002","16.589","0.002","25.753","0.003","90","","106.775","0.004","90","","7327.5","1.5","173","2","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dy2O@C2(13333)-C74","","- C117 H50 Dy2 N4 Ni O S2 -","- C117 H50 Dy2 N4 Ni O S2 -","- C468 H200 Dy8 N16 Ni4 O4 S8 -","4","1","","Velkos, Georgios; Yang, Wei; Yao, Yang-Rong; Sudarkova, Svetlana M.; Liu, XinYe; Büchner, Bernd; Avdoshenko, Stanislav M.; Chen, Ning; Popov, Alexey A.","Shape-adaptive single-molecule magnetism and hysteresis up to 14 K in oxide clusterfullerenes Dy2O@C72 and Dy2O@C74 with fused pentagon pairs and flexible Dy‒(μ2-O)‒Dy angle","Chemical Science","2020","11","18","4766","4772","10.1039/D0SC00624F","","","1.54178","CuKα","","0.1495","0.1286","","","0.3121","0.3277","","","","","","1.129","","","","has coordinates","257392","2020-10-21","18:00:00",""
"1557828","10.5727","0.0005","12.998","0.0005","15.4783","0.0008","104.398","0.002","102.401","0.002","109.792","0.002","1831.32","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H88 N14 O12 -","- C82 H88 N14 O12 -","- C82 H88 N14 O12 -","1","0.5","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.71073","MoKα","","0.069","0.0474","","","0.0999","0.1102","","","","","","1.065","","","","has coordinates","257293","2020-10-21","18:00:00",""
"1557829","16.711","0.0007","12.6971","0.0005","18.2586","0.0007","90","","99.327","0.004","90","","3822.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C86 H88 N14 O4 -","- C86 H88 N14 O4 -","- C172 H176 N28 O8 -","2","0.5","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.71073","MoKα","","0.1226","0.0982","","","0.2234","0.2381","","","","","","1.17","","","","has coordinates,has disorder","257293","2020-10-21","18:00:00",""
"1557830","12.761","0.003","17.133","0.003","31.684","0.005","90","","93.976","0.01","90","","6911","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C78 H92 N14 O6 -","- C78 H92 N14 O6 -","- C312 H368 N56 O24 -","4","0.5","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.71073","MoKα","","0.1191","0.0644","","","0.1483","0.1703","","","","","","1.045","","","","has coordinates","257293","2020-10-21","18:00:00",""
"1557831","11.866","0.003","11.883","0.003","6.3933","0.0015","90","","90","","90","","901.5","0.4","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C32 H32 N16 O16 -","8","1","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.71073","MoKα","","0.086","0.0448","","","0.0951","0.1108","","","","","","1.041","","","","has coordinates","257293","2020-10-21","18:00:00",""
"1557832","43.6284","0.0011","43.6284","0.0011","10.7942","0.0003","90","","90","","120","","17793.4","0.8","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C82 H92 N10 O8 -","- C82 H92 N10 O8 -","- C738 H828 N90 O72 -","9","0.5","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.71073","MoKα","","0.0979","0.0706","","","0.1611","0.1751","","","","","","1.035","","","","has coordinates","257293","2020-10-21","18:00:00",""
"1557833","10.9587","0.0002","59.0761","0.001","22.009","0.0004","90","","101.952","0.002","90","","13939.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C53 H52 N6 O7 -","- C53 H52 N6 O7 -","- C636 H624 N72 O84 -","12","3","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.97741","synchrotron","","0.0743","0.063","","","0.1718","0.1813","","","","","","1.047","","","","has coordinates","257293","2020-10-21","18:00:00",""
"1557834","19.2992","0.0009","19.3512","0.0013","27.206","0.0012","105.998","0.004","90.079","0.003","119.907","0.003","8348.1","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C208.5 H180 Fe8 N12 -","- C208.5 H179.5 Fe8 N12 -","- C417 H359 Fe16 N24 -","2","1","","Cook, Andrew W.; Bocarsly, Joshua D.; Lewis, Richard A.; Touchton, Alexander J.; Morochnik, Simona; Hayton, Trevor W.","An iron ketimide single-molecule magnet [Fe4(NCPh2)6] with suppressed through-barrier relaxation","Chemical Science","2020","11","18","4753","4757","10.1039/D0SC01578D","","","0.71073","MoKα","","0.2039","0.1596","","","0.3659","0.3992","","","","","","0.77","","","","has coordinates","257393","2020-10-21","18:00:00",""
"1557835","11.7058","0.0007","6.9904","0.0004","5.9153","0.0004","90","","100.159","0.002","90","","476.45","0.05","120","2","119.99","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl1.5 Fe0.5 H6 O3 -","- Cl1.5 Fe0.5 H6 O3 -","- Cl6 Fe2 H24 O12 -","4","0.5","","Afra, Salar; Samouei, Hamidreza; Truong, Phuc; Nasr-El-Din, Hisham","Micellar growth and network formation in acidic solutions of a sulfobetaine zwitterionic surfactant triggered by an inorganic salt.","Soft matter","2020","16","18","4494","4501","10.1039/d0sm00399a","","x-ray","0.71073","MoKα","","0.0306","0.0297","","","0.1156","0.117","","","","","","1.248","","","","has coordinates","252934","2020-10-21","18:00:00",""
"1557836","10.145","0.002","17.053","0.004","17.044","0.003","90","","102.029","0.008","90","","2883.9","1","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H43 Al I2 N2 -","- C26 H43 Al I2 N2 -","- C104 H172 Al4 I8 N8 -","4","1","","Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi","Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis","Chemical Science","2020","11","18","4817","4827","10.1039/D0SC01561J","","x-ray","0.71073","MoKα","","0.0174","0.0151","","","0.0367","0.0385","","","","","","1.097","","","","has coordinates","257388","2020-10-21","18:00:00",""
"1557837","36.035","0.002","15.3951","0.0008","21.8876","0.0012","90","","104.19","0.003","90","","11771.9","1.1","103","","103","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H100 Al2 N4 O1.79 -","- C58 H100 Al2 N4 O1.801 -","- C464 H800 Al16 N32 O14.408 -","8","1","","Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi","Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis","Chemical Science","2020","11","18","4817","4827","10.1039/D0SC01561J","","x-ray","0.71073","MoKα","","0.0845","0.0582","","","0.144","0.1602","","","","","","1.04","","","","has coordinates,has disorder","257388","2020-10-21","18:00:00",""
"1557838","13.5339","0.0006","13.5131","0.0006","18.1559","0.0006","90","","100.481","0.002","90","","3265","0.2","100","","100","","","","","","","","see text","4","P 1 2/c 1","-P 2yc","13","","","","- C72 H102 Al2 N4 -","- C72 H102 Al2 N4 -","- C144 H204 Al4 N8 -","2","0.5","","Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi","Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis","Chemical Science","2020","11","18","4817","4827","10.1039/D0SC01561J","","x-ray","0.71073","MoKα","","0.046","0.0406","","","0.0962","0.0997","","","","","","1.043","","","","has coordinates,has disorder","257388","2020-10-21","18:00:00",""
"1557839","21.6994","0.0018","15.8898","0.0018","20.777","0.002","90","","90.177","0.008","90","","7163.9","1.2","100","","100","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H104 Al2 N6 -","- C70 H104 Al2 N6 -","- C280 H416 Al8 N24 -","4","0.5","","Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi","Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis","Chemical Science","2020","11","18","4817","4827","10.1039/D0SC01561J","","x-ray","0.71073","MoKα","","0.0884","0.0747","","","0.1843","0.1924","","","","","","1.129","","","","has coordinates,has disorder","257388","2020-10-21","18:00:00",""
"1557840","12.4062","0.001","18.1378","0.0016","24.62","0.002","90","","101.846","0.003","90","","5422","0.8","100","","100","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H90 Al2 N4 -","- C54 H90 Al2 N4 -","- C216 H360 Al8 N16 -","4","1","","Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi","Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis","Chemical Science","2020","11","18","4817","4827","10.1039/D0SC01561J","","x-ray","0.71073","MoKα","","0.0949","0.0645","","","0.1672","0.1923","","","","","","1.019","","","","has coordinates","257388","2020-10-21","18:00:00",""
"1557841","35.126","0.003","15.4352","0.0011","21.8147","0.0017","90","","109.512","0.004","90","","11148.2","1.5","100","","100","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C55 H93 Al2 N4 -","- C55 H93 Al2 N4 -","- C440 H744 Al16 N32 -","8","1","","Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi","Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis","Chemical Science","2020","11","18","4817","4827","10.1039/D0SC01561J","","x-ray","0.71073","MoKα","","0.0536","0.0471","","","0.1268","0.1328","","","","","","1.028","","","","has coordinates,has disorder","257388","2020-10-21","18:00:00",""
"1557842","21.1709","0.0008","21.2048","0.0008","18.2698","0.0007","90","","100.139","0.001","90","","8073.7","0.5","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H55 K2 N2 O2 Si8 -","- C23 H55 K2 N2 O2 Si8 -","- C184 H440 K16 N16 O16 Si64 -","8","1","","Jost, Maximilian; Richter, Roman-Malte; Balmer, Markus; Peters, Bertram; Dankert, Fabian; von Hänisch, Carsten","Coordination polymers of alkali metal cyclosiloxazanides with one- and two-dimensional structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5787","5790","10.1039/d0dt01060j","","","0.71073","MoKα","","0.041","0.0299","","","0.0652","0.0691","","","","","","1.037","","","","has coordinates","252808","2020-10-21","18:00:00",""
"1557843","8.9604","0.0002","16.9073","0.0003","12.2222","0.0003","90","","109.493","0.002","90","","1745.49","0.07","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 N O Rb Si4 -","- C8 H24 N O Rb Si4 -","- C32 H96 N4 O4 Rb4 Si16 -","4","1","","Jost, Maximilian; Richter, Roman-Malte; Balmer, Markus; Peters, Bertram; Dankert, Fabian; von Hänisch, Carsten","Coordination polymers of alkali metal cyclosiloxazanides with one- and two-dimensional structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5787","5790","10.1039/d0dt01060j","","","1.54186","CuKα","","0.0435","0.0406","","","0.1159","0.1176","","","","","","1.076","","","","has coordinates","252808","2020-10-21","18:00:00",""
"1557844","12.9603","0.0002","15.1185","0.0002","17.6321","0.0003","90","","110.328","0.001","90","","3239.67","0.09","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 N Na O Si4 -","- C8 H24 N Na O Si4 -","- C64 H192 N8 Na8 O8 Si32 -","8","2","","Jost, Maximilian; Richter, Roman-Malte; Balmer, Markus; Peters, Bertram; Dankert, Fabian; von Hänisch, Carsten","Coordination polymers of alkali metal cyclosiloxazanides with one- and two-dimensional structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5787","5790","10.1039/d0dt01060j","","","1.54186","CuKα","","0.0405","0.0255","","","0.0539","0.0555","","","","","","0.786","","","","has coordinates","252808","2020-10-21","18:00:00",""
"1557845","8.9537","0.0003","17.4898","0.0005","12.2613","0.0004","90","","110.183","0.003","90","","1802.2","0.1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 Cs N O Si4 -","- C8 H24 Cs N O Si4 -","- C32 H96 Cs4 N4 O4 Si16 -","4","1","","Jost, Maximilian; Richter, Roman-Malte; Balmer, Markus; Peters, Bertram; Dankert, Fabian; von Hänisch, Carsten","Coordination polymers of alkali metal cyclosiloxazanides with one- and two-dimensional structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5787","5790","10.1039/d0dt01060j","","","1.54186","CuKα","","0.1115","0.0932","","","0.2423","0.2507","","","","","","0.948","","","","has coordinates","252808","2020-10-21","18:00:00",""
"1557846","10.2536","0.0005","12.3598","0.0005","18.9999","0.0008","90","","92.488","0.002","90","","2405.63","0.18","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H72 N2 Na2 O4 Si12 -","- C24 H72 N2 Na2 O4 Si12 -","- C48 H144 N4 Na4 O8 Si24 -","2","0.5","","Jost, Maximilian; Richter, Roman-Malte; Balmer, Markus; Peters, Bertram; Dankert, Fabian; von Hänisch, Carsten","Coordination polymers of alkali metal cyclosiloxazanides with one- and two-dimensional structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5787","5790","10.1039/d0dt01060j","","x-ray","0.71073","MoKα","","0.0391","0.0291","","","0.0781","0.0811","","","","","","1.102","","","","has coordinates","252808","2020-10-21","18:00:00",""
"1557847","16.7588","0.0004","23.4597","0.0005","8.7769","0.0002","90","","98.771","0.001","90","","3410.34","0.13","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,6-Diphenyl-3-(prop-2-en-1-yl)piperidin-4-one","","- C20 H21 N O -","- C20 H21 N O -","- C160 H168 N8 O8 -","8","1","HB4345","Manjula, V.; Venkateswaramoorthi, R.; Dharmaraja, J.; Selvanayagam, S.","2,6-Diphenyl-3-(prop-2-en-1-yl)piperidin-4-one","IUCrData","2020","5","4","x200526","","10.1107/S241431462000526X","","","0.71073","MoKα","","0.1723","0.0797","","","0.1648","0.2005","","","","","","1.03","","","","has coordinates,has Fobs","251012","2020-10-21","18:00:00",""
"1557852","18","0.006","9.537","0.003","7.754","0.003","90","","90","","90","","1331.1","0.8","182","2","181.65","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H14 O6 S -","- C13 H14 O6 S -","- C52 H56 O24 S4 -","4","1","","Yuan, Wei-Hua; Teng, Meng-Ting; Yun, Yang-Fang; Jiang, Nan; Ma, Lin; Sun, Shan-Shan; Yuan, Bo; Tang, Jian; Wu, Qian-Yu; Li, Qian; Zhang, Peng; Morris-Natschke, Susan L; Lee, Kuo-Hsiung","Talarolactone A, an Isocoumarin Derivative Fused with Dihydrothiophene with Selective Antimigratory Activity from the Endolichenic Fungus <i>Talaromyces</i> sp.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00024","","","0.71073","MoKα","","0.0768","0.0559","","","0.1146","0.1239","","","","","","1.047","","","","has coordinates","251046","2020-10-21","18:00:00",""
"1557853","8.5031","0.0011","8.6453","0.0011","9.5875","0.0013","82.846","0.003","86.058","0.003","88.035","0.003","697.42","0.16","153","","153.02","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H24 O4 -","- C15 H24 O4 -","- C30 H48 O8 -","2","1","","Xu, Hong-Bo; Yang, Tong-Hua; Xie, Pei; Tang, Zhi-Shu; Xu, Huai-Li; Deng, Chong; Liang, Yan-Ni; Zhou, Rui; Liu, Shi-Jun; Zhang, Yu","Cyperane-Type and Related (Nor)Sesquiterpenoids from the Root Bark of Acanthopanax gracilistylus and Their Inhibitory Effects on Nitric Oxide Production","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00913","","","1.54178","CuKα","","0.0654","0.0418","","","0.1122","0.1205","","","","","","1.173","","","","has coordinates","251047","2020-10-21","18:00:00",""
"1557854","17.226","0.0019","5.4934","0.0005","14.4457","0.0017","90","","111.841","0.008","90","","1268.9","0.2","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Wang, Meng; Du, Jiao-Xian; Hui-Xiang, Yang; Dai, Quan; Liu, Ya-Pei; He, Juan; Wang, Yi; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai","Sesquiterpenoids from Cultures of the Basidiomycetes <i>Irpex lacteus</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b01177","","","1.54178","CuKα","","0.0582","0.0538","","","0.1381","0.1432","","","","","","1.128","","","","has coordinates","251048","2020-10-21","18:00:00",""
"1557855","6.6612","0.0004","11.0697","0.0006","9.6314","0.0005","90","","103.76","0.001","90","","689.81","0.07","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C30 H40 O8 -","2","1","","Wang, Meng; Du, Jiao-Xian; Hui-Xiang, Yang; Dai, Quan; Liu, Ya-Pei; He, Juan; Wang, Yi; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai","Sesquiterpenoids from Cultures of the Basidiomycetes <i>Irpex lacteus</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b01177","","","1.54178","","","0.0303","0.0301","","","0.0773","0.0776","","","","","","1.047","","","","has coordinates","251049","2020-10-21","18:00:00",""
"1557856","7.2833","0.0004","11.5034","0.0006","9.4902","0.0005","90","","101.578","0.001","90","","778.94","0.07","151","2","151","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H24 O6 -","- C16 H24 O6 -","- C32 H48 O12 -","2","1","","Wang, Meng; Du, Jiao-Xian; Hui-Xiang, Yang; Dai, Quan; Liu, Ya-Pei; He, Juan; Wang, Yi; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai","Sesquiterpenoids from Cultures of the Basidiomycetes <i>Irpex lacteus</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b01177","","","1.54178","CuKα","","0.0245","0.0245","","","0.0623","0.0623","","","","","","1.022","","","","has coordinates","251050","2020-10-21","18:00:00",""
"1557857","7.4807","0.0002","11.5246","0.0003","31.2716","0.0009","90","","90","","90","","2695.99","0.13","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C120 H176 O24 -","8","2","","Wang, Meng; Du, Jiao-Xian; Hui-Xiang, Yang; Dai, Quan; Liu, Ya-Pei; He, Juan; Wang, Yi; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai","Sesquiterpenoids from Cultures of the Basidiomycetes <i>Irpex lacteus</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b01177","","","1.54178","CuKα","","0.0575","0.0558","","","0.1491","0.1498","","","","","","1.031","","","","has coordinates","251051","2020-10-21","18:00:00",""
"1557858","3.8397","0.0008","7.7446","0.0015","13.585","0.003","90","","93.79","0.03","90","","403.09","0.15","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H3 N3 -","- C9 H3 N3 -","- C18 H6 N6 -","2","1","","Yuan, Jie; Wang, Yongrong; Li, Ling; Wang, Shuang; Tang, Xingxing; Wang, Honglei; Li, Mingguang; Zheng, Chao; Chen, Runfeng","Activating Intersystem Crossing and Aggregation Coupling by CN-Substitution for Efficient Organic Ultralong Room Temperature Phosphorescence","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c01762","","","0.71073","MoKα","","0.0547","0.0332","","","0.0697","0.0794","","","","","","1.086","","","","has coordinates","251053","2020-10-21","18:00:00",""
"1557859","3.909","0.004","11.97","0.013","14.614","0.014","89.88","0.04","85.59","0.03","89.86","0.03","681.8","1.2","297","2","297.2","","","","","","","","","3","P -1","-P 1","2","","","","- C8 H4 N2 -","- C8 H4 N2 -","- C32 H16 N8 -","4","2","","Yuan, Jie; Wang, Yongrong; Li, Ling; Wang, Shuang; Tang, Xingxing; Wang, Honglei; Li, Mingguang; Zheng, Chao; Chen, Runfeng","Activating Intersystem Crossing and Aggregation Coupling by CN-Substitution for Efficient Organic Ultralong Room Temperature Phosphorescence","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c01762","","x-ray","0.71073","MoKα","","0.1167","0.0568","","","0.1177","0.1433","","","","","","1.028","","","","has coordinates","251054","2020-10-21","18:00:00",""
"1557860","3.781","0.003","6.45","0.005","7.27","0.005","114.297","0.013","92.785","0.015","97.812","0.016","159","0.2","100","2","100.01","","","","","","","","","3","P -1","-P 1","2","","","","- C8 H4 N2 -","- C8 H4 N2 -","- C8 H4 N2 -","1","0.5","","Yuan, Jie; Wang, Yongrong; Li, Ling; Wang, Shuang; Tang, Xingxing; Wang, Honglei; Li, Mingguang; Zheng, Chao; Chen, Runfeng","Activating Intersystem Crossing and Aggregation Coupling by CN-Substitution for Efficient Organic Ultralong Room Temperature Phosphorescence","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c01762","","x-ray","0.71073","MoKα","","0.055","0.0503","","","0.1362","0.1415","","","","","","1.077","","","","has coordinates","251055","2020-10-21","18:00:00",""
"1557861","14.125","0.014","3.844","0.004","14.305","0.015","90","","119.046","0.017","90","","679","1.2","101","2","100.99","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C8 H4 N2 -","- C8 H4 N2 -","- C32 H16 N8 -","4","2","","Yuan, Jie; Wang, Yongrong; Li, Ling; Wang, Shuang; Tang, Xingxing; Wang, Honglei; Li, Mingguang; Zheng, Chao; Chen, Runfeng","Activating Intersystem Crossing and Aggregation Coupling by CN-Substitution for Efficient Organic Ultralong Room Temperature Phosphorescence","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c01762","","x-ray","0.71073","MoKα","","0.1345","0.11","","","0.3139","0.3359","","","","","","1.152","","","","has coordinates","251056","2020-10-21","18:00:00",""
"1557862","18.8949","0.0006","10.1078","0.0004","23.9918","0.0007","90","","90","","90","","4582.1","0.3","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H35 Al N6 -","- C20 H35 Al N6 -","- C160 H280 Al8 N48 -","8","2","","Navarro, Marta; Sánchez-Barba, Luis F.; Garcés, Andrés; Fernández-Baeza, Juan; Fernández, Israel; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Bimetallic scorpionate-based helical organoaluminum complexes for efficient carbon dioxide fixation into a variety of cyclic carbonates","Catalysis Science & Technology","2020","10","10","3265","3278","10.1039/D0CY00593B","","","0.71073","MoKα","","0.0751","0.0463","","","0.0949","0.1064","","","","","","1.003","","","","has coordinates","257207","2020-10-21","18:00:00",""
"1557863","18.637","0.003","9.384","0.0019","26.354","0.004","90","","125.325","0.0012","90","","3760.4","1.1","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H44 Al2 N6 -","- C33.5 H44 Al2 N6 -","- C134 H176 Al8 N24 -","4","1","","Navarro, Marta; Sánchez-Barba, Luis F.; Garcés, Andrés; Fernández-Baeza, Juan; Fernández, Israel; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Bimetallic scorpionate-based helical organoaluminum complexes for efficient carbon dioxide fixation into a variety of cyclic carbonates","Catalysis Science & Technology","2020","10","10","3265","3278","10.1039/D0CY00593B","","","0.71073","MoKα","","0.2079","0.0827","","","0.2149","0.2845","","","","","","0.983","","","","has coordinates,has disorder","257207","2020-10-21","18:00:00",""
"1557864","18.3672","0.0015","14.0583","0.0012","17.9736","0.0014","90","","118.814","0.001","90","","4066.4","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H59 In N2 O S -","- C44 H59 In N2 O S -","- C176 H236 In4 N8 O4 S4 -","4","1","","Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa","Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands","Chemical Science","2020","11","25","6485","6491","10.1039/D0SC01291B","","x-ray","0.71073","MoKα","","0.0773","0.055","","","0.134","0.1437","","","","","","1.067","","","","has coordinates","257337","2020-10-21","18:00:00",""
"1557865","17.5732","0.0015","13.8493","0.0011","18.4226","0.0015","90","","117.891","0.002","90","","3962.8","0.6","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H59 In N2 O2 -","- C44 H59 In N2 O2 -","- C176 H236 In4 N8 O8 -","4","1","","Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa","Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands","Chemical Science","2020","11","25","6485","6491","10.1039/D0SC01291B","","x-ray","0.71073","MoKα","","0.0523","0.0369","","","0.0801","0.0887","","","","","","1.054","","","","has coordinates,has disorder","257337","2020-10-21","18:00:00",""
"1557866","18.402","0.0006","13.9008","0.0005","18.4542","0.0007","90","","119.051","0.002","90","","4126.7","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H61 In N2 O -","- C46 H61 In N2 O -","- C184 H244 In4 N8 O4 -","4","1","","Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa","Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands","Chemical Science","2020","11","25","6485","6491","10.1039/D0SC01291B","","x-ray","0.71073","MoKα","","0.0354","0.0273","","","0.0603","0.0637","","","","","","1.032","","","","has coordinates","257337","2020-10-21","18:00:00",""
"1557867","18.3804","0.0016","13.9887","0.0012","18.328","0.002","90","","119.839","0.002","90","","4087.7","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H60 In N3 O -","- C45 H60 In N3 O -","- C180 H240 In4 N12 O4 -","4","1","","Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa","Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands","Chemical Science","2020","11","25","6485","6491","10.1039/D0SC01291B","","x-ray","0.71073","MoKα","","0.0462","0.037","","","0.0755","0.0792","","","","","","1.077","","","","has coordinates","257337","2020-10-21","18:00:00",""
"1557868","12.616","0.003","13.343","0.003","26.255","0.005","80.163","0.003","76.369","0.003","85.869","0.003","4229.7","1.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H92 B F24 In N2 O6 -","- C88 H92 B F24 In N2 O6 -","- C176 H184 B2 F48 In2 N4 O12 -","2","1","","Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa","Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands","Chemical Science","2020","11","25","6485","6491","10.1039/D0SC01291B","","x-ray","0.71073","MoKα","","0.0983","0.0794","","","0.2047","0.214","","","","","","1.036","","","","has coordinates,has disorder","257337","2020-10-21","18:00:00",""
"1557869","21.874","0.005","15.366","0.003","8.915","0.003","90","","90","","90","","2996.5","1.4","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H17 Br O4 -","- C14 H17 Br O4 -","- C112 H136 Br8 O32 -","8","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.0325","0.0272","","","0.0697","0.0727","","","","","","1.065","","","","has coordinates","257326","2020-10-21","18:00:00",""
"1557870","11.6398","0.0008","18.4868","0.0013","16.2027","0.0011","90","","109.07","0.003","90","","3295.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cl8 N O4 Sb -","- C26 H25 Cl8 N O4 Sb -","- C104 H100 Cl32 N4 O16 Sb4 -","4","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.0338","0.0312","","","0.0781","0.08","","","","","","1.061","","","","has coordinates","257326","2020-10-21","18:00:00",""
"1557871","18.383","0.0016","13.3271","0.0012","20.1022","0.0018","90","","90","","90","","4924.9","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H25 Cl2 N O4 -","- C26 H25 Cl2 N O4 -","- C208 H200 Cl16 N8 O32 -","8","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.0437","0.0384","","","0.1025","0.1076","","","","","","1.033","","","","has coordinates","257326","2020-10-21","18:00:00",""
"1557872","10.089","0.0004","11.8293","0.0005","13.7884","0.0006","97.567","0.001","107.754","0.001","95.274","0.001","1538.29","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 F6 N O4 -","- C32 H33 F6 N O4 -","- C64 H66 F12 N2 O8 -","2","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.046","0.0406","","","0.1065","0.1114","","","","","","1.039","","","","has coordinates,has disorder","257326","2020-10-21","18:00:00",""
"1557873","10.3036","0.0006","18.9257","0.0011","13.0352","0.0007","90","","94.843","0.002","90","","2532.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N O6 -","- C28 H31 N O6 -","- C112 H124 N4 O24 -","4","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71075","MoKα","","0.0769","0.051","","","0.1285","0.1593","","","","","","0.597","","","","has coordinates","257326","2020-10-21","18:00:00",""
"1557874","11.7241","0.0003","12.3047","0.0003","18.3432","0.0005","90","","100.077","0.001","90","","2605.4","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 F6 N O4 -","- C28 H25 F6 N O4 -","- C112 H100 F24 N4 O16 -","4","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.0429","0.0385","","","0.099","0.1032","","","","","","1.031","","","","has coordinates,has disorder","257326","2020-10-21","18:00:00",""
"1557875","11.84","0.002","14.543","0.003","18.231","0.003","97.047","0.003","105.059","0.003","102.364","0.003","2907.7","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 Cl2 N O4 -","- C30 H32.329 Cl2 N O4 -","- C120 H129.316 Cl8 N4 O16 -","4","2","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.1323","0.061","","","0.1674","0.2302","","","","","","0.782","","","","has coordinates,has disorder","257326","2020-10-21","18:00:00",""
"1557876","12.156","0.003","15.548","0.003","19.482","0.004","90","","90.77","0.004","90","","3681.8","1.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 Cl8 N O4 Sb -","- C30 H33 Cl8 N O4 Sb -","- C120 H132 Cl32 N4 O16 Sb4 -","4","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.1333","0.0573","","","0.0894","0.1058","","","","","","0.9","","","","has coordinates,has disorder","257326","2020-10-21","18:00:00",""
"1557882","31.3214","0.0009","17.9026","0.0007","12.675","0.0006","90","","90","","90","","7107.3","0.5","100","6","100","6","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C54 H75 N9 O13 -","- C54 H75 N9 O13 -","- C216 H300 N36 O52 -","4","1","","Sun, Changli; Liu, Zhiyong; Zhu, Xiangcheng; Fan, Zhiying; Huang, Xuanmei; Wu, Qiaoling; Zheng, Xiaohong; Qin, Xiangjing; Zhang, Tianyu; Zhang, Hua; Ju, Jianhua; Ma, Junying","Antitubercular Ilamycins from Marine-Derived Streptomyces atratus SCSIO ZH16 ΔilaR","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00151","","x-ray","1.54184","CuKα","","0.0796","0.0576","","","0.1587","0.1727","","","","","","1.026","","","","has coordinates","251097","2020-10-21","18:00:00",""
"1557883","26.0693","0.0002","25.2634","0.0002","19.77155","0.00018","90","","90","","90","","13021.5","0.19","100","8","100","8","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C54 H75 N9 O13 -","- C54 H75 N9 O13 -","- C432 H600 N72 O104 -","8","2","","Sun, Changli; Liu, Zhiyong; Zhu, Xiangcheng; Fan, Zhiying; Huang, Xuanmei; Wu, Qiaoling; Zheng, Xiaohong; Qin, Xiangjing; Zhang, Tianyu; Zhang, Hua; Ju, Jianhua; Ma, Junying","Antitubercular Ilamycins from Marine-Derived Streptomyces atratus SCSIO ZH16 ΔilaR","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00151","","","1.54184","CuKα","","0.0596","0.0494","","","0.1273","0.1335","","","","","","1.008","","","","has coordinates,has disorder","251098","2020-10-21","18:00:00",""
"1557884","9.53453","0.00007","5.13144","0.00004","18.92992","0.00013","90","","95.899","0.0007","90","","921.258","0.012","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 Cl O8 -","- C19 H21 Cl O8 -","- C38 H42 Cl2 O16 -","2","1","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","x-ray","1.54184","CuKα","","0.0234","0.0233","","","0.0624","0.0625","","","","","","1.037","","","","has coordinates","251099","2020-10-21","18:00:00",""
"1557885","13.1677","0.0004","15.9113","0.0004","20.4458","0.0006","90","","90","","90","","4283.7","0.2","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20.5 H28 Cl O7 -","- C20.5 H28 Cl O7 -","- C164 H224 Cl8 O56 -","8","2","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","","1.54178","CuKα","","0.1315","0.1123","","","0.2542","0.2631","","","","","","1.334","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1557886","6.6956","0.0002","11.5295","0.0003","11.5446","0.0003","90","","90.49","0.001","90","","891.17","0.04","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 Cl O6 -","- C18 H21 Cl O6 -","- C36 H42 Cl2 O12 -","2","1","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","","1.54178","CuKα","","0.0533","0.0395","","","0.0934","0.1211","","","","","","1.177","","","","has coordinates","251101","2020-10-21","18:00:00",""
"1557887","5.3318","0.0016","22.504","0.006","15.235","0.004","90","","94.614","0.017","90","","1822.1","0.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O8.5 -","- C18 H22 O8.5 -","- C72 H88 O34 -","4","2","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","","1.54178","CuKα","","0.1925","0.1078","","","0.2324","0.2825","","","","","","1.022","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1557888","8.6811","0.0003","9.5462","0.0002","10.951","0.0004","69.576","0.003","84.021","0.003","68.822","0.003","792.79","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P 1","P 1","1","","","","- C16 H19 Cl O6 -","- C16 H19 Cl O6 -","- C32 H38 Cl2 O12 -","2","2","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","x-ray","1.54184","CuKα","","0.0252","0.0251","","","0.068","0.0681","","","","","","1.067","","","","has coordinates","251103","2020-10-21","18:00:00",""
"1557889","8.9035","0.0004","9.1206","0.0004","11.7648","0.0005","90","","110.431","0.002","90","","895.26","0.07","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 Cl O7 -","- C18 H21 Cl O7 -","- C36 H42 Cl2 O14 -","2","1","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","","1.54178","CuKα","","0.0327","0.031","","","0.0831","0.0935","","","","","","1.117","","","","has coordinates","251104","2020-10-21","18:00:00",""
"1557890","36.0878","0.0007","10.8258","0.0001","26.8601","0.0009","90","","131.699","0.003","90","","7835.1","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H23 Cl O6 -","- C20 H23 Cl O6 -","- C320 H368 Cl16 O96 -","16","4","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","","1.54178","CuKα","","0.0567","0.0482","","","0.138","0.1452","","","","","","1.054","","","","has coordinates,has disorder","251105","2020-10-21","18:00:00",""
"1557891","5.0563","0.0001","19.3072","0.0004","19.3617","0.0004","90","","90","","90","","1890.15","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cl O8 -","- C19 H23 Cl O8 -","- C76 H92 Cl4 O32 -","4","1","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","","1.54178","CuKα","","0.0505","0.0449","","","0.1159","0.1195","","","","","","1.055","","","","has coordinates","251106","2020-10-21","18:00:00",""
"1557892","8.4937","0.0002","13.9436","0.0003","16.0615","0.0003","90","","90","","90","","1902.21","0.07","297","2","297.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 O8 -","- C18 H26 O8 -","- C72 H104 O32 -","4","1","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","","1.54178","CuKα","","0.042","0.0314","","","0.0875","0.1051","","","","","","1.177","","","","has coordinates","251107","2020-10-21","18:00:00",""
"1557893","5.53373","0.00007","14.7351","0.0002","23.2466","0.0004","90","","90","","90","","1895.53","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O7 -","- C19 H24 O7 -","- C76 H96 O28 -","4","1","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","x-ray","1.54184","CuKα","","0.0402","0.0336","","","0.0842","0.0875","","","","","","1.055","","","","has coordinates","251108","2020-10-21","18:00:00",""
"1557894","21.5791","0.0002","21.5791","0.0002","8.5971","0.0001","90","","90","","120","","3466.96","0.06","100","0.1","100","0.1","","","","","","","","4","P 63","P 6c","173","","","","- C20 H25 Cl O6 -","- C20 H25 Cl O6 -","- C120 H150 Cl6 O36 -","6","1","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","x-ray","1.54184","CuKα","","0.0276","0.0264","","","0.069","0.0697","","","","","","1.091","","","","has coordinates","251109","2020-10-21","18:00:00",""
"1557895","45.216","0.002","6.5755","0.0003","9.061","0.0004","90","","95.407","0.003","90","","2682","0.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C28 H48 O4 -","- C28 H48 O4 -","- C112 H192 O16 -","4","1","","Su, Li-Hua; Geng, Chang-An; Li, Tian-Ze; Huang, Xiao-Yan; Ma, Yun-Bao; Zhang, Xue-Mei; Wu, Gang; Yang, Zhu-Liang; Chen, Ji-Jun","Spiroseoflosterol, a Rearranged Ergostane-Steroid from the Fruiting Bodies of Butyriboletus roseoflavus","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01282","","","1.54178","CuKα","","0.1239","0.068","","","0.1451","0.1767","","","","","","1.04","","","","has coordinates","251110","2020-10-21","18:00:00",""
"1557898","13.0883","0.0002","14.8329","0.0003","19.5325","0.0003","90","","90","","90","","3791.99","0.11","293","2","293","2","","","","","","","synthesized","7","P b c a","-P 2ac 2ab","61","","","","- C12 H28 B Co F4 N5 O2 -","- C12 H28 B Co F4 N5 O2 -","- C96 H224 B8 Co8 F32 N40 O16 -","8","1","","Das, Sandip; Kulbir,; Ghosh, Somnath; Chandra Sahoo, Subash; Kumar, Pankaj","Nitric oxide monooxygenation (NOM) reaction of cobalt-nitrosyl {Co(NO)}8 to CoII-nitrito {CoII(NO2−)}: base induced hydrogen gas (H2) evolution","Chemical Science","2020","11","19","5037","5042","10.1039/D0SC01572E","","x-ray","0.71073","MoKα","","0.0792","0.0623","","","0.1908","0.2051","","","","","","1.129","","","","has coordinates,has disorder","257329","2020-10-21","18:00:00",""
"1557899","10.5566","0.0006","14.6779","0.0013","14.7391","0.0008","109.074","0.004","108.271","0.003","97.907","0.004","1974.9","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C76 H76 Cl2 F14 N4 Ni2 O2 P2 Sb2 -","- C76 H76 Cl2 F14 N4 Ni2 O2 P2 Sb2 -","- C76 H76 Cl2 F14 N4 Ni2 O2 P2 Sb2 -","1","0.5","","Yang, Jian; Postils, Verònica; Lipschutz, Michael I.; Fasulo, Meg; Raynaud, Christophe; Clot, Eric; Eisenstein, Odile; Tilley, T. Don","Efficient alkene hydrosilation with bis(8-quinolyl)phosphine (NPN) nickel catalysts. The dominant role of silyl-over hydrido-nickel catalytic intermediates","Chemical Science","2020","11","19","5043","5051","10.1039/D0SC00997K","","","0.71073","MoKα","","0.111","0.0638","","","0.1723","0.2002","","","","","","1.056","","","","has coordinates","257330","2020-10-21","18:00:00",""
"1557900","14.0809","0.0007","10.9917","0.0004","17.1659","0.0008","90","","108.846","0.005","90","","2514.4","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 F3 N3 O -","- C30 H26 F3 N3 O -","- C120 H104 F12 N12 O4 -","4","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.0774","0.0615","","","0.1401","0.1466","","","","","","1.106","","","","has coordinates,has disorder","257279","2020-10-21","18:00:00",""
"1557901","37.632","0.001","14.8891","0.0004","13.0219","0.0004","90","","90","","90","","7296.3","0.4","123","2","123","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C42 H34 F9 N O -","- C42 H34 F9 N O -","- C336 H272 F72 N8 O8 -","8","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","x-ray","0.71073","MoKα","","0.1062","0.0697","","","0.1559","0.1699","","","","","","1.071","","","","has coordinates,has disorder","257279","2020-10-21","18:00:00",""
"1557902","13.5226","0.0005","14.169","0.0005","17.1029","0.0005","103.45","0.003","107.34","0.003","103.234","0.003","2881","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H42 N2 O2 -","- C34 H42 N2 O2 -","- C136 H168 N8 O8 -","4","2","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C–H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.1427","0.0768","","","0.1775","0.2124","","","","","","1.061","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1557903","9.7571","0.0001","10.1037","0.0001","19.23","0.0003","86.6","0.001","88.612","0.001","81.412","0.001","1870.97","0.04","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H35 F9 N2 O -","- C43 H35 F9 N2 O -","- C86 H70 F18 N4 O2 -","2","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","x-ray","0.71073","MoKα","","0.061","0.0465","","","0.1209","0.1286","","","","","","1.059","","","","has coordinates,has disorder","257279","2020-10-21","18:00:00",""
"1557904","12.9747","0.0002","12.3749","0.0002","17.7595","0.0003","90","","101.948","0.0017","90","","2789.71","0.08","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H42 N2 O4 -","- C31 H42 N2 O4 -","- C124 H168 N8 O16 -","4","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.0374","0.0343","","","0.0866","0.0887","","","","","","1.035","","","","has coordinates","257279","2020-10-21","18:00:00",""
"1557905","10.4974","0.0004","24.3","0.0006","11.3737","0.0004","90","","109.196","0.004","90","","2739.97","0.17","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 N2 O2 -","- C32 H40 N2 O2 -","- C128 H160 N8 O8 -","4","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.0432","0.0347","","","0.0817","0.0866","","","","","","1.026","","","","has coordinates","257279","2020-10-21","18:00:00",""
"1557906","8.974","0.0002","11.737","0.0003","14.0121","0.0003","113.955","0.002","97.7538","0.0017","91.349","0.002","1331.4","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H39 N3 O2 -","- C31 H39 N3 O2 -","- C62 H78 N6 O4 -","2","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.0402","0.0365","","","0.0927","0.0949","","","","","","1.028","","","","has coordinates","257279","2020-10-21","18:00:00",""
"1557907","16.4161","0.0009","12.4001","0.0008","25.3104","0.0017","90","","90","","90","","5152.2","0.6","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H37 N3 O2 -","- C29 H37 N3 O2 -","- C232 H296 N24 O16 -","8","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.094","0.0484","","","0.0932","0.1093","","","","","","1.017","","","","has coordinates","257279","2020-10-21","18:00:00",""
"1557908","19.0673","0.0003","26.1197","0.0006","15.5005","0.0003","90","","90","","90","","7719.7","0.3","100","2","100","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","CdTzTz","","- C38 H32 Cd N6 O6 S3 -","- C38 H32 Cd N6 O6 S3 -","- C304 H256 Cd8 N48 O48 S24 -","8","1","","Doheny, Patrick W.; Clegg, Jack K.; Tuna, Floriana; Collison, David; Kepert, Cameron J.; D'Alessandro, Deanna M.","Quantification of the mixed-valence and intervalence charge transfer properties of a cofacial metal‒organic framework via single crystal electronic absorption spectroscopy","Chemical Science","2020","11","20","5213","5220","10.1039/D0SC01521K","","","0.71073","MoKα","","0.0852","0.0804","","","0.2123","0.2173","","","","","","1.079","","","","has coordinates,has disorder","257345","2020-10-21","18:00:00",""
"1557909","5.665","0.0011","7.55","0.0015","22.845","0.005","80.52","0.03","86.53","0.03","88.94","0.03","962","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","BPPTzTz","","- C26 H16 N4 S2 -","- C26 H16 N4 S2 -","- C52 H32 N8 S4 -","2","1","","Doheny, Patrick W.; Clegg, Jack K.; Tuna, Floriana; Collison, David; Kepert, Cameron J.; D'Alessandro, Deanna M.","Quantification of the mixed-valence and intervalence charge transfer properties of a cofacial metal‒organic framework via single crystal electronic absorption spectroscopy","Chemical Science","2020","11","20","5213","5220","10.1039/D0SC01521K","","","0.71073","Synchrotron","","0.0707","0.06","","","0.1545","0.164","","","","","","1.013","","","","has coordinates","257345","2020-10-21","18:00:00",""
"1557910","10.3567","0.0008","12.1184","0.0009","22.4299","0.0015","91.283","0.006","95.977","0.007","110.754","0.008","2612.8","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H66 Br4 O10 -","- C53 H66 Br4 O10 -","- C106 H132 Br8 O20 -","2","1","","Al-Azemi, Talal F.; Vinodh, Mickey","Pillar[5]arene-based self-assembled linear supramolecular polymer driven by guest halogen‒halogen interactions in solid and solution states","Polymer Chemistry","2020","11","19","3305","3312","10.1039/D0PY00327A","","","0.71075","MoKα","","0.1513","0.0653","","","0.1549","0.179","","","","","","0.905","","","","has coordinates","257941","2020-10-21","18:00:00",""
"1557911","13.7399","0.0012","13.7733","0.0013","17.2885","0.0016","81.371","0.004","73.997","0.003","86.306","0.004","3108.4","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H74 N10 Ni2 O7 -","- C62 H74 N10 Ni2 O7 -","- C124 H148 N20 Ni4 O14 -","2","1","","Su, Yu-Chia; Tsui, Chih-Hsiang; Tsai, Chen-Yen; Ko, Bao-Tsan","Highly active bimetallic nickel catalysts for alternating copolymerization of carbon dioxide with epoxides","Polymer Chemistry","2020","11","18","3225","3236","10.1039/D0PY00174K","","","0.71073","MoKα","","0.0822","0.0516","","","0.1344","0.153","","","","","","1.022","","","","has coordinates","257950","2020-10-21","18:00:00",""
"1557912","27.59","0.002","11.4039","0.0009","17.0846","0.0014","90","","101.68","0.004","90","","5264.1","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H72 N8 Ni2 O8 -","- C51 H72 N8 Ni2 O8 -","- C204 H288 N32 Ni8 O32 -","4","1","","Su, Yu-Chia; Tsui, Chih-Hsiang; Tsai, Chen-Yen; Ko, Bao-Tsan","Highly active bimetallic nickel catalysts for alternating copolymerization of carbon dioxide with epoxides","Polymer Chemistry","2020","11","18","3225","3236","10.1039/D0PY00174K","","","0.71073","MoKα","","0.0892","0.0655","","","0.1688","0.1855","","","","","","1.023","","","","has coordinates,has disorder","257950","2020-10-21","18:00:00",""
"1557913","13.8204","0.0007","14.046","0.0008","17.8074","0.001","98.3638","0.0019","99.7094","0.0018","99.0951","0.0019","3311.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H80 Cl2 N10 Ni2 O6 -","- C65 H80 Cl2 N10 Ni2 O6 -","- C130 H160 Cl4 N20 Ni4 O12 -","2","1","","Su, Yu-Chia; Tsui, Chih-Hsiang; Tsai, Chen-Yen; Ko, Bao-Tsan","Highly active bimetallic nickel catalysts for alternating copolymerization of carbon dioxide with epoxides","Polymer Chemistry","2020","11","18","3225","3236","10.1039/D0PY00174K","","","0.71076","MoKα","","0.0886","0.0572","","","0.1455","0.1661","","","","","","1.027","","","","has coordinates","257950","2020-10-21","18:00:00",""
"1557914","16.442","0.003","28.884","0.005","11.4674","0.0018","90","","108.553","0.006","90","","5163","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H76 N8 Ni2 O8 -","- C52 H74 N8 Ni2 O8 -","- C208 H296 N32 Ni8 O32 -","4","1","","Su, Yu-Chia; Tsui, Chih-Hsiang; Tsai, Chen-Yen; Ko, Bao-Tsan","Highly active bimetallic nickel catalysts for alternating copolymerization of carbon dioxide with epoxides","Polymer Chemistry","2020","11","18","3225","3236","10.1039/D0PY00174K","","","0.71076","MoKα","","0.1214","0.0755","","","0.1397","0.1557","","","","","","1.032","","","","has coordinates,has disorder","257950","2020-10-21","18:00:00",""
"1557915","13.3819","0.0004","22.5315","0.0007","19.0121","0.0008","90","","95.058","0.003","90","","5710.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H84 N8 Ni2 O10 -","- C55 H84 N8 Ni2 O10 -","- C220 H336 N32 Ni8 O40 -","4","1","","Su, Yu-Chia; Tsui, Chih-Hsiang; Tsai, Chen-Yen; Ko, Bao-Tsan","Highly active bimetallic nickel catalysts for alternating copolymerization of carbon dioxide with epoxides","Polymer Chemistry","2020","11","18","3225","3236","10.1039/D0PY00174K","","","0.71073","MoKα","","0.1296","0.0642","","","0.1224","0.1483","","","","","","1.023","","","","has coordinates","257950","2020-10-21","18:00:00",""
"1557916","9.0597","0.0003","9.4554","0.0004","21.1518","0.0008","90","","90","","90","","1811.93","0.12","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","","Liu, Ya-Pei; Dai, Quan; Wang, Wen-Xuan; He, Juan; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai","Psathyrins: Antibacterial Diterpenoids from <i>Psathyrella candolleana</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00269","","","1.54178","CuKα","","0.0393","0.0377","","","0.0982","0.1004","","","","","","1.035","","","","has coordinates","251181","2020-10-21","18:00:00",""
"1557917","14.6569","0.0014","15.3071","0.0012","24.9808","0.0012","89.021","0.005","79.724","0.007","74.797","0.008","5319.1","0.7","250.01","0.1","250.01","0.1","","","","","","","","4","P -1","-P 1","2","","TDIC15","","- C207.72 H199.72 N8 O16 -","- C207.766 H199.812 N8 O16 -","- C207.766 H199.812 N8 O16 -","1","0.5","","Bae, Youn Jue; Zhao, Xingang; Kryzaniak, Matthew D.; Nagashima, Hiroki; Strzalka, Joseph; Zhang, Qingteng; Wasielewski, Michael R.","Spin Dynamics of Quintet and Triplet States Resulting from Singlet Fission in Oriented Terrylenediimide and Quaterrylenediimide Films","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c03189","","x-ray","1.54178","CuKα","","0.2732","0.2192","","","0.5346","0.5682","","","","","","1.942","","","","has coordinates","251184","2020-10-21","18:00:00",""
"1557921","12.6264","0.0001","21.0187","0.0002","15.1875","0.0001","90","","104.475","0.001","90","","3902.67","0.06","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C70 H86 N12 O16 -","- C70 H86 N12 O16 -","- C140 H172 N24 O32 -","2","1","","Yang, Zhijie; Sun, Changli; Liu, Zhiyong; Liu, Qing; Zhang, Tianyu; Ju, Jianhua; Ma, Junying","Production of Antitubercular Depsipeptides via Biosynthetic Engineering of Cinnamoyl Units","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00194","","","1.54184","CuKα","","0.0638","0.0511","","","0.1415","0.1478","","","","","","1.063","","","","has coordinates","251191","2020-10-21","18:00:00",""
"1557922","12.5668","0.0002","20.9262","0.0003","15.2207","0.0002","90","","103.722","0.002","90","","3888.43","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C72 H88 N12 O16 -","- C72 H88.0031 N12 O16 -","- C144 H176.006 N24 O32 -","2","1","","Yang, Zhijie; Sun, Changli; Liu, Zhiyong; Liu, Qing; Zhang, Tianyu; Ju, Jianhua; Ma, Junying","Production of Antitubercular Depsipeptides via Biosynthetic Engineering of Cinnamoyl Units","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00194","","x-ray","1.54184","CuKα","","0.0526","0.0452","","","0.1209","0.1262","","","","","","1.04","","","","has coordinates,has disorder","251192","2020-10-21","18:00:00",""
"1557923","9.9378","0.0009","9.9882","0.0008","17.7699","0.0015","93.791","0.003","94.905","0.003","98.931","0.003","1730.4","0.3","150","","150","","","","","","","","synthesis as described","2","P -1","-P 1","2","","","","- C44 H30 -","- C44 H30 -","- C88 H60 -","2","1","","Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc","Expedient synthesis of conjugated triynes via alkyne metathesis","Chemical Science","2020","11","19","4934","4938","10.1039/D0SC01124J","","x-ray","0.71073","MoKα","","0.0571","0.0457","","","0.117","0.1244","","","","","","1.051","","","","has coordinates","257331","2020-10-21","18:00:00",""
"1557924","10.4193","0.0006","21.2154","0.0012","17.2115","0.0008","90","","99.801","0.002","90","","3749.1","0.3","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H31 Cl3 Si2 -","- C43 H31 Cl3 Si2 -","- C172 H124 Cl12 Si8 -","4","1","","Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc","Expedient synthesis of conjugated triynes via alkyne metathesis","Chemical Science","2020","11","19","4934","4938","10.1039/D0SC01124J","","x-ray","0.71073","MoKα","","0.0765","0.0491","","","0.1189","0.1333","","","","","","1.03","","","","has coordinates","257331","2020-10-21","18:00:00",""
"1557925","8.5423","0.0011","10.4335","0.0014","16.821","0.002","76.313","0.005","77.803","0.005","83.761","0.005","1421","0.3","150","","150","","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C34 H36 Si -","- C34 H36 Si -","- C68 H72 Si2 -","2","1","","Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc","Expedient synthesis of conjugated triynes via alkyne metathesis","Chemical Science","2020","11","19","4934","4938","10.1039/D0SC01124J","","x-ray","0.71073","MoKα","","0.0648","0.0477","","","0.1191","0.1301","","","","","","1.029","","","","has coordinates","257331","2020-10-21","18:00:00",""
"1557926","8.5611","0.0008","10.3957","0.001","14.5334","0.0013","94.453","0.003","104.612","0.003","98.456","0.003","1229.1","0.2","150","","150","","","","","","","","synthesis as described","2","P -1","-P 1","2","","","","- C34 H26 -","- C34 H26 -","- C68 H52 -","2","1","","Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc","Expedient synthesis of conjugated triynes via alkyne metathesis","Chemical Science","2020","11","19","4934","4938","10.1039/D0SC01124J","","x-ray","0.71073","MoKα","","0.0628","0.0479","","","0.1201","0.1302","","","","","","1.034","","","","has coordinates","257331","2020-10-21","18:00:00",""
"1557927","7.5855","0.0009","8.3989","0.0011","17.377","0.002","90.902","0.005","91.564","0.005","91.339","0.004","1106.2","0.2","150","2","150","2","","","","","","","synthesis as described","2","P -1","-P 1","2","","","","- C14 H14 -","- C14 H14 -","- C56 H56 -","4","2","","Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc","Expedient synthesis of conjugated triynes via alkyne metathesis","Chemical Science","2020","11","19","4934","4938","10.1039/D0SC01124J","","x-ray","0.71073","MoKα","","0.0605","0.0506","","","0.1353","0.142","","","","","","1.049","","","","has coordinates","257331","2020-10-21","18:00:00",""
"1557928","9.3055","0.0016","10.3538","0.0015","18.151","0.003","90","","90","","90","","1748.8","0.5","150","","150","","","","","","","","synthesis as described","2","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc","Expedient synthesis of conjugated triynes via alkyne metathesis","Chemical Science","2020","11","19","4934","4938","10.1039/D0SC01124J","","x-ray","0.71073","MoKα","","0.0433","0.0359","","","0.087","0.0924","","","","","","1.029","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1557937","9.8333","0.0003","10.2552","0.0003","20.877","0.0007","90","","90","","90","","2105.29","0.11","150","2","149.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N3 O3 S2 -","- C20 H27 N3 O3 S2 -","- C80 H108 N12 O12 S8 -","4","1","","Zhai, Yi-Jie; Huo, Guang-Ming; Zhang, Qiang; Li, Ding; Wang, Da-Cheng; Qi, Jian-Zhao; Han, Wen-Bo; Gao, Jin-Ming","Phaeosphaones: Tyrosinase Inhibitory Thiodiketopiperazines from an Endophytic Phaeosphaeria fuckelii","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00046","","","1.54178","CuKα","","0.0394","0.0359","","","0.0879","0.0898","","","","","","1.067","","","","has coordinates","251238","2020-10-21","18:00:00",""
"1557938","6.2397","0.0005","10.6635","0.001","12.6809","0.0011","90","","93.931","0.005","90","","841.76","0.13","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 N3 O3 S2 -","- C17 H19 N3 O3 S2 -","- C34 H38 N6 O6 S4 -","2","1","","Zhai, Yi-Jie; Huo, Guang-Ming; Zhang, Qiang; Li, Ding; Wang, Da-Cheng; Qi, Jian-Zhao; Han, Wen-Bo; Gao, Jin-Ming","Phaeosphaones: Tyrosinase Inhibitory Thiodiketopiperazines from an Endophytic Phaeosphaeria fuckelii","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00046","","","1.54184","CuKα","","0.0623","0.0592","","","0.1538","0.1568","","","","","","1.062","","","","has coordinates","251239","2020-10-21","18:00:00",""
"1557943","12.8993","0.0005","15.9751","0.0007","17.3394","0.0007","90","","97.371","0.003","90","","3543.6","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 F24 O10 Th -","- C24 H14 F24 O10 Th -","- C96 H56 F96 O40 Th4 -","4","0.5","","Moreau, Liane M.; Herve, Alexandre; Straub, Mark D.; Russo, Dominic R.; Abergel, Rebecca J.; Alayoglu, Selim; Arnold, John; Braun, Augustin; Deblonde, Gauthier J. P.; Liu, Yangdongling; Lohrey, Trevor D.; Olive, Daniel T.; Qiao, Yusen; Rees, Julian A.; Shuh, David K.; Teat, Simon J.; Booth, Corwin H.; Minasian, Stefan G.","Structural properties of ultra-small thorium and uranium dioxide nanoparticles embedded in a covalent organic framework","Chemical Science","2020","11","18","4648","4668","10.1039/C9SC06117G","","","0.7749","synchrotron","","0.0394","0.0296","","","0.0536","0.0569","","","","","","1.073","","","","has coordinates,has disorder","257390","2020-10-21","18:00:00",""
"1557944","17.4457","0.0004","17.4457","0.0004","29.8629","0.0009","90","","90","","90","","9088.8","0.4","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H4 F24 O8 U -","- C20 H4 F24 O8 U -","- C240 H48 F288 O96 U12 -","12","0.75","","Moreau, Liane M.; Herve, Alexandre; Straub, Mark D.; Russo, Dominic R.; Abergel, Rebecca J.; Alayoglu, Selim; Arnold, John; Braun, Augustin; Deblonde, Gauthier J. P.; Liu, Yangdongling; Lohrey, Trevor D.; Olive, Daniel T.; Qiao, Yusen; Rees, Julian A.; Shuh, David K.; Teat, Simon J.; Booth, Corwin H.; Minasian, Stefan G.","Structural properties of ultra-small thorium and uranium dioxide nanoparticles embedded in a covalent organic framework","Chemical Science","2020","11","18","4648","4668","10.1039/C9SC06117G","","","0.7749","synchrotron","","0.0911","0.0543","","","0.1361","0.1667","","","","","","1.016","","","","has coordinates","257390","2020-10-21","18:00:00",""
"1557951","4.7673","0.0011","9.5601","0.0019","31.386","0.006","90","","92.31","0.02","90","","1429.3","0.5","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O6 -","- C15 H19 O6 -","- C60 H76 O24 -","4","2","","Dizon, Glenieliz C.; Atkinson, George; Argent, Stephen P.; Santu, Lea T.; Amabilino, David B.","Sustainable sorbitol-derived compounds for gelation of the full range of ethanol-water mixtures.","Soft matter","2020","16","19","4640","4654","10.1039/d0sm00343c","","x-ray","1.54184","CuKα","","0.1156","0.0882","","","0.2019","0.2243","","","","","","1.056","","","","has coordinates,has disorder","252933","2020-10-21","18:00:00",""
"1557952","8.92283","0.00014","4.60123","0.00007","17.4539","0.0003","90","","92.9088","0.0015","90","","715.66","0.02","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O8 -","- C14 H20 O8 -","- C28 H40 O16 -","2","1","","Dizon, Glenieliz C.; Atkinson, George; Argent, Stephen P.; Santu, Lea T.; Amabilino, David B.","Sustainable sorbitol-derived compounds for gelation of the full range of ethanol-water mixtures.","Soft matter","2020","16","19","4640","4654","10.1039/d0sm00343c","","x-ray","1.54184","CuKα","","0.0258","0.0253","","","0.066","0.0665","","","","","","1.064","","","","has coordinates","252933","2020-10-21","18:00:00",""
"1557955","23.4927","0.0005","23.4927","0.0005","32.5166","0.0007","90","","90","","120","","15541.8","0.6","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C87 H77.33 F6 N12 O23.67 Ru3 -","- C87 H77.3322 F6 N12 O23.6661 Ru3 -","- C522 H463.993 F36 N72 O141.997 Ru18 -","6","0.333333","","Meza-Chincha, Ana-Lucia; Lindner, Joachim O.; Schindler, Dorothee; Schmidt, David; Krause, Ana-Maria; Röhr, Merle I. S.; Mitrić, Roland; Würthner, Frank","Impact of substituents on molecular properties and catalytic activities of trinuclear Ru macrocycles in water oxidation","Chemical Science","2020","11","29","7654","7664","10.1039/D0SC01097A","","","1.54178","CuKα","","0.0395","0.0385","","","0.1171","0.1181","","","","","","1.157","","","","has coordinates,has disorder","257278","2020-10-21","18:00:00",""
"1557956","15.9552","0.0003","18.9386","0.0004","21.0317","0.0004","65.145","0.001","87.292","0.001","76.631","0.001","5601.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H48 F6 N12 O12 Ru3 -","- C84 H48 F6 N12 O12 Ru3 -","- C168 H96 F12 N24 O24 Ru6 -","2","1","","Meza-Chincha, Ana-Lucia; Lindner, Joachim O.; Schindler, Dorothee; Schmidt, David; Krause, Ana-Maria; Röhr, Merle I. S.; Mitrić, Roland; Würthner, Frank","Impact of substituents on molecular properties and catalytic activities of trinuclear Ru macrocycles in water oxidation","Chemical Science","2020","11","29","7654","7664","10.1039/D0SC01097A","","","1.54178","CuKα","","0.0526","0.0407","","","0.0938","0.0997","","","","","","1.026","","","","has coordinates","257278","2020-10-21","18:00:00",""
"1557959","7.2106","0.0008","35.399","0.004","7.0277","0.0008","90","","90","","90","","1793.8","0.3","88","2","88","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H20 N Na O10 S -","- C12 H20 N Na O10 S -","- C48 H80 N4 Na4 O40 S4 -","4","1","","Richardson, Mark B.; Gabriel, Kristin Nichelle; Garcia, Joseph; Ashby, Shareen; Dyer, Rebekah; Kim, Joshua; Lau, Calvin; Hong, John; Le Tourneau, Ryan J.; Sen, Sanjana; Narel, David; Katz, Benjamin B.; Ziller, Joseph W.; Majumdar, Sudipta; Collins, Philip G.; Weiss, Gregory A.","Pyrocinchonimides Conjugate to Amine Groups on Proteins via Imide Transfer.","Bioconjugate chemistry","2020","","","","","10.1021/acs.bioconjchem.0c00143","","","0.71073","MoKα","","0.0486","0.0465","","","0.0971","0.0982","","","","","","1.049","","","","has coordinates","251307","2020-10-21","18:00:00",""
"1557960","7.8456","0.0003","11.4365","0.0004","17.3203","0.0006","85.3061","0.0004","88.1049","0.0004","72.1013","0.0004","1473.86","0.09","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 N2 Na O8.5 S -","- C12 H12 N2 Na O8.5 S -","- C48 H48 N8 Na4 O34 S4 -","4","2","","Richardson, Mark B.; Gabriel, Kristin Nichelle; Garcia, Joseph; Ashby, Shareen; Dyer, Rebekah; Kim, Joshua; Lau, Calvin; Hong, John; Le Tourneau, Ryan J.; Sen, Sanjana; Narel, David; Katz, Benjamin B.; Ziller, Joseph W.; Majumdar, Sudipta; Collins, Philip G.; Weiss, Gregory A.","Pyrocinchonimides Conjugate to Amine Groups on Proteins via Imide Transfer.","Bioconjugate chemistry","2020","","","","","10.1021/acs.bioconjchem.0c00143","","","0.71073","MoKα","","0.0318","0.0295","","","0.0795","0.0813","","","","","","1.042","","","","has coordinates","283778","2023-05-15","10:49:46",""
"1557961","11.6036","0.0004","12.4468","0.0004","14.8235","0.0005","83.0917","0.0004","83.3753","0.0004","89.1925","0.0004","2111.19","0.12","88","2","88","2","","","","","","","","5","P -1","-P 1","2","","","","- C28.5 H20 Cl N O2 -","- C28.5 H20 Cl N O2 -","- C114 H80 Cl4 N4 O8 -","4","2","","Richardson, Mark B.; Gabriel, Kristin Nichelle; Garcia, Joseph; Ashby, Shareen; Dyer, Rebekah; Kim, Joshua; Lau, Calvin; Hong, John; Le Tourneau, Ryan J.; Sen, Sanjana; Narel, David; Katz, Benjamin B.; Ziller, Joseph W.; Majumdar, Sudipta; Collins, Philip G.; Weiss, Gregory A.","Pyrocinchonimides Conjugate to Amine Groups on Proteins via Imide Transfer.","Bioconjugate chemistry","2020","","","","","10.1021/acs.bioconjchem.0c00143","","","0.71073","MoKα","","0.0602","0.054","","","0.1418","0.1473","","","","","","1.054","","","","has coordinates,has disorder","251309","2020-10-21","18:00:00",""
"1557965","14.8573","0.0013","8.7978","0.0007","20.6966","0.0018","90","","101.128","0.001","90","","2654.4","0.4","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H41 Cl N O Sc Si -","- C25 H41 Cl N O Sc Si -","- C100 H164 Cl4 N4 O4 Sc4 Si4 -","4","1","","Wang, Yang; Zhou, Chulu; Cheng, Jianhua","Binuclear Scandium Initiators for the Syndiospecific Triblock Copolymerization of Styrene with ε-Caprolactone","Macromolecules","2020","","","","","10.1021/acs.macromol.9b02602","","","0.71073","MoKα","","0.0603","0.0499","","","0.1329","0.1427","","","","","","1.037","","","","has coordinates","251331","2020-10-21","18:00:00",""
"1557966","11.2926","0.0014","14.8104","0.0018","16.26","0.002","79.75","0.003","89.746","0.002","77.906","0.003","2615.1","0.6","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H80 Cl2 N2 O2 Sc2 Si2 -","- C50 H80 Cl2 N2 O2 Sc2 Si2 -","- C100 H160 Cl4 N4 O4 Sc4 Si4 -","2","1","","Wang, Yang; Zhou, Chulu; Cheng, Jianhua","Binuclear Scandium Initiators for the Syndiospecific Triblock Copolymerization of Styrene with ε-Caprolactone","Macromolecules","2020","","","","","10.1021/acs.macromol.9b02602","","","0.71073","MoKα","","0.1509","0.077","","","0.1594","0.1995","","","","","","0.986","","","","has coordinates","251331","2020-10-21","18:00:00",""
"1557967","9.0773","0.0003","20.9604","0.0006","9.2929","0.0004","90","","112.088","0.004","90","","1638.34","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 Li2 N2 O4 -","- C32 H52 Li2 N2 O4 -","- C64 H104 Li4 N4 O8 -","2","0.5","","Fairley, Michael; Bole, Leonie J.; Mulks, Florian F.; Main, Laura; Kennedy, Alan R.; O'Hara, Charles T; García-Alvarez, Joaquín; Hevia, Eva","Ultrafast amidation of esters using lithium amides under aerobic ambient temperature conditions in sustainable solvents.","Chemical science","2020","11","25","6500","6509","10.1039/d0sc01349h","","","1.54184","CuKα","","0.117","0.1047","","","0.3328","0.3569","","","","","","1.539","","","","has coordinates,has disorder","256042","2020-10-21","18:00:00",""
"1557968","9.7406","0.0004","10.9189","0.0004","14.1465","0.0007","90","","107.012","0.005","90","","1438.74","0.11","123.35","0.1","123.35","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Li2 N6 O2 -","- C30 H36 Li2 N6 O2 -","- C60 H72 Li4 N12 O4 -","2","0.5","","Fairley, Michael; Bole, Leonie J.; Mulks, Florian F.; Main, Laura; Kennedy, Alan R.; O'Hara, Charles T; García-Alvarez, Joaquín; Hevia, Eva","Ultrafast amidation of esters using lithium amides under aerobic ambient temperature conditions in sustainable solvents.","Chemical science","2020","11","25","6500","6509","10.1039/d0sc01349h","","x-ray","1.54184","CuKα","","0.072","0.0591","","","0.1634","0.183","","","","","","1.058","","","","has coordinates,has disorder","256042","2020-10-21","18:00:00",""
"1557969","10.2268","0.0004","19.0435","0.0007","10.7658","0.0005","90","","102.453","0.004","90","","2047.36","0.15","123.35","0.1","123.35","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H60 Li2 N2 O4 -","- C44 H59.145 Li2 N2 O4 -","- C88 H118.29 Li4 N4 O8 -","2","1","","Fairley, Michael; Bole, Leonie J.; Mulks, Florian F.; Main, Laura; Kennedy, Alan R.; O'Hara, Charles T; García-Alvarez, Joaquín; Hevia, Eva","Ultrafast amidation of esters using lithium amides under aerobic ambient temperature conditions in sustainable solvents.","Chemical science","2020","11","25","6500","6509","10.1039/d0sc01349h","","x-ray","1.54184","CuKα","","0.108","0.0987","","","0.2735","0.2948","","","","","","1.225","","","","has coordinates,has disorder","256042","2020-10-21","18:00:00",""
"1557970","9.5878","0.0002","9.9347","0.0002","9.9435","0.0002","105.659","0.002","94.885","0.001","95.34","0.002","902","0.03","173.01","0.1","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 Li2 N4 O2 -","- C42 H42 Li2 N4 O2 -","- C42 H42 Li2 N4 O2 -","1","0.5","","Fairley, Michael; Bole, Leonie J.; Mulks, Florian F.; Main, Laura; Kennedy, Alan R.; O'Hara, Charles T; García-Alvarez, Joaquín; Hevia, Eva","Ultrafast amidation of esters using lithium amides under aerobic ambient temperature conditions in sustainable solvents.","Chemical science","2020","11","25","6500","6509","10.1039/d0sc01349h","","","1.54184","CuKα","","0.0462","0.0393","","","0.1038","0.112","","","","","","1.065","","","","has coordinates","256042","2020-10-21","18:00:00",""
"1557971","6.8004","0.0009","11.9948","0.0015","21.5","0.003","90","","95.373","0.004","90","","1746","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 F6 N2 P -","- C17 H17 F6 N2 P -","- C68 H68 F24 N8 P4 -","4","1","","Zhang, Ruoyao; Niu, Guangle; Lu, Qing; Huang, Xiaolin; Chau, Joe H. C.; Kwok, Ryan T. K.; Yu, Xiaoqiang; Li, Min-Hui; Lam, Jacky W. Y.; Tang, Ben Zhong","Cancer cell discrimination and dynamic viability monitoring through wash-free bioimaging using AIEgens","Chemical Science","2020","11","29","7676","7684","10.1039/D0SC01213K","","","1.54178","CuKα","","0.0876","0.0851","","","0.2292","0.2315","","","","","","1.048","","","","has coordinates","257280","2020-10-21","18:00:00",""
"1557972","9.8666","0.0013","9.9949","0.0009","11.3565","0.0017","90","","114.722","0.018","90","","1017.3","0.3","298","0.2","298","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H19 N O S -","- C26 H19 N O S -","- C52 H38 N2 O2 S2 -","2","1","","Singh, Bara; Bankar, Siddheshwar K.; Kumar, Ketan; Ramasastry, S. S. V.","Palladium-catalysed 5-endo-trig allylic (hetero)arylation","Chemical Science","2020","11","19","4948","4953","10.1039/D0SC01932A","","x-ray","0.71073","MoKα","","0.1435","0.0593","","","0.106","0.147","","","","","","1.026","","","","has coordinates","257328","2020-10-21","18:00:00",""
"1557973","10.0379","0.0013","9.5393","0.0009","16.2242","0.0019","90","","104.646","0.012","90","","1503.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 S -","- C18 H20 S -","- C72 H80 S4 -","4","1","","Singh, Bara; Bankar, Siddheshwar K.; Kumar, Ketan; Ramasastry, S. S. V.","Palladium-catalysed 5-endo-trig allylic (hetero)arylation","Chemical Science","2020","11","19","4948","4953","10.1039/D0SC01932A","","x-ray","0.71073","MoKα","","0.1534","0.1084","","","0.2911","0.3453","","","","","","1.094","","","","has coordinates","257328","2020-10-21","18:00:00",""
"1557975","11.30672","0.0001","15.29988","0.00014","15.58799","0.00014","63.3059","0.0009","87.7117","0.0007","83.0788","0.0007","2391.32","0.04","200.01","0.1","200.01","0.1","","","","","","","","7","P -1","-P 1","2","","Ag10-Mo6","","- C44 H84 Ag10 Mo12 N10 O38 S6 -","- C44 H84 Ag10 Mo12 N10 O38 S6 -","- C44 H84 Ag10 Mo12 N10 O38 S6 -","1","0.5","","Li, Ya-Hui; Wang, Zhao-Yang; Ma, Bing; Xu, Hong; Zang, Shuang-Quan; Mak, Thomas C. W.","Self-assembly of thiolate-protected silver coordination polymers regulated by POMs.","Nanoscale","2020","12","20","10944","10948","10.1039/d0nr00342e","","x-ray","1.54184","CuKα","","0.0461","0.0443","","","0.1126","0.1145","","","","","","1.08","","","","has coordinates","252849","2020-10-21","18:00:00",""
"1557976","27.3167","0.0002","19.80926","0.00014","27.71777","0.00016","90","","90","","90","","14998.7","0.18","200","0.1","200","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","Ag18-Mo6","","- C62 H129 Ag18 Mo18 N7 O57 S12 -","- C62 H129 Ag18 Mo18 N7 O57 S12 -","- C248 H516 Ag72 Mo72 N28 O228 S48 -","4","0.5","","Li, Ya-Hui; Wang, Zhao-Yang; Ma, Bing; Xu, Hong; Zang, Shuang-Quan; Mak, Thomas C. W.","Self-assembly of thiolate-protected silver coordination polymers regulated by POMs.","Nanoscale","2020","12","20","10944","10948","10.1039/d0nr00342e","","x-ray","1.54184","CuKα","","0.0545","0.0515","","","0.1275","0.1291","","","","","","1.102","","","","has coordinates,has disorder","252849","2020-10-21","18:00:00",""
"1557980","13.93535","0.00018","13.93535","0.00018","13.1629","0.0003","90","","90","","90","","2556.16","0.07","293","2","293","2","","","","","","","","3","I -4","I -4","82","2,3-Diethylbenzo[g]quinoxaline","2,3-Diethylbenzo[<i>g</i>]quinoxaline","","- C16 H16 N2 -","- C16 H16 N2 -","- C128 H128 N16 -","8","1","HB4346","Crundwell, Guy; Leeds, Ashley","2,3-Diethylbenzo[<i>g</i>]quinoxaline","IUCrData","2020","5","4","x200454","","10.1107/S241431462000454X","","x-ray","0.71073","MoKα","","0.0627","0.0477","","","0.1256","0.136","","","","","","1.037","","","","has coordinates,has Fobs","251360","2020-10-21","18:00:00",""
"1557981","6.383","0.008","12.498","0.015","12.814","0.016","68.718","0.011","86.988","0.012","81.397","0.012","942","2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H40 N2 -","- C52 H40 N2 -","- C52 H40 N2 -","1","0.5","","Zhang, Yang; Yu, Fan; Li, Pei; Xu, Mengli; Xu, Guoyong; Li, Weimin; Wang, Fuzhou","2,4,6-Triphenyl-<i>N</i>-{(3<i>E</i>)-3-[(2,4,6-triphenylphenyl)imino]butan-2-ylidene}aniline","IUCrData","2020","5","4","x200531","","10.1107/S2414314620005313","","","0.71073","MoKα","","0.1092","0.0595","","","0.1303","0.1582","","","","","","1.021","","","","has coordinates","251361","2020-10-21","18:00:00",""
"1557983","8.5663","0.0003","11.0966","0.0004","24.1272","0.0009","90","","98.595","0.001","90","","2267.7","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Br Ir N3 O -","- C23 H33 Br Ir N3 O -","- C92 H132 Br4 Ir4 N12 O4 -","4","1","","González-Lainez, Miguel; Jiménez, M. Victoria; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.","Effective N-methylation of nitroarenes with methanol catalyzed by a functionalized NHC-based iridium catalyst: a green approach to N-methyl amines","Catalysis Science & Technology","2020","10","10","3458","3467","10.1039/D0CY00707B","","","0.71073","MoKα","","0.0313","0.0236","","","0.049","0.0514","","","","","","1.019","","","","has coordinates","257206","2020-10-21","18:00:00",""
"1557984","9.2294","0.0009","11.1211","0.0011","11.892","0.0019","99.157","0.001","110.946","0.002","114.394","0.001","968.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Br Ir N3 O3 -","- C17 H21 Br Ir N3 O3 -","- C34 H42 Br2 Ir2 N6 O6 -","2","1","","González-Lainez, Miguel; Jiménez, M. Victoria; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.","Effective N-methylation of nitroarenes with methanol catalyzed by a functionalized NHC-based iridium catalyst: a green approach to N-methyl amines","Catalysis Science & Technology","2020","10","10","3458","3467","10.1039/D0CY00707B","","","0.71073","MoKα","","0.0313","0.029","","","0.0727","0.074","","","","","","1.061","","","","has coordinates,has disorder","257206","2020-10-21","18:00:00",""
"1557987","24.4749","0.0004","22.6183","0.0004","12.7406","0.0002","90","","90","","90","","7052.9","0.2","95","2","95","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C33 H48 I N4 O P Pt -","- C33 H48 I N4 O P Pt -","- C264 H384 I8 N32 O8 P8 Pt8 -","8","1","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","0.71073","MoKα","","0.0533","0.037","","","0.077","0.0832","","","","","","1.09","","","","has coordinates","257398","2020-10-21","18:00:00",""
"1557988","12.7739","0.0002","8.98822","0.00013","27.115","0.0004","90","","100.703","0.0016","90","","3059.04","0.08","93","2","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 Cl2 Cu2 N4 O P Pt -","- C26 H39 Cl2 Cu2 N4 O P Pt -","- C104 H156 Cl8 Cu8 N16 O4 P4 Pt4 -","4","1","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","0.71073","MoKα","","0.0336","0.0249","","","0.0535","0.0558","","","","","","1.042","","","","has coordinates","257398","2020-10-21","18:00:00",""
"1557989","20.4659","0.0002","20.4659","0.0002","27.7779","0.0004","90","","90","","90","","11634.9","0.2","94","2","94","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C50 H70 N8 O2 P2 Pt2 -","- C50 H70 N8 O2 P2 Pt2 -","- C400 H560 N64 O16 P16 Pt16 -","8","0.5","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","0.71073","MoKα","","0.0482","0.0347","","","0.0824","0.0891","","","","","","1.027","","","","has coordinates,has disorder","257398","2020-10-21","18:00:00",""
"1557990","11.34455","0.00016","12.7555","0.0003","15.58801","0.00018","97.0654","0.0013","96.2303","0.001","94.2103","0.0015","2216.7","0.07","95","2","95","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H59 B Cu F4 N4 O4 P Pt -","- C42 H59 B Cu F4 N4 O4 P Pt -","- C84 H118 B2 Cu2 F8 N8 O8 P2 Pt2 -","2","1","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","1.54184","CuKα","","0.0573","0.0558","","","0.1416","0.1442","","","","","","1.044","","","","has coordinates,has disorder","257398","2020-10-21","18:00:00",""
"1557991","9.1729","0.0004","30.0139","0.001","12.3335","0.0003","90","","90.445","0.003","90","","3395.5","0.2","96","2","96","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 B Cu F4 N4 O2 P Pt -","- C30 H47 B Cu F4 N4 O2 P Pt -","- C120 H188 B4 Cu4 F16 N16 O8 P4 Pt4 -","4","1","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","1.54184","CuKα","","0.0943","0.0832","","","0.2262","0.2402","","","","","","1.048","","","","has coordinates,has disorder","257398","2020-10-21","18:00:00",""
"1557992","9.1454","0.00011","34.4731","0.0005","28.8368","0.0004","90","","90.3193","0.0011","90","","9091.2","0.2","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28.33 H43.67 Cu N4 O1.33 P Pt -","- C28.3333 H43.6667 Cu N4 O1.33333 P Pt -","- C340 H524 Cu12 N48 O16 P12 Pt12 -","12","3","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","0.71073","MoKα","","0.0564","0.0449","","","0.0862","0.0892","","","","","","1.094","","","","has coordinates,has disorder","257398","2020-10-21","18:00:00",""
"1557993","14.66021","0.00018","16.24537","0.00017","26.9484","0.0004","90","","103.68","0.0013","90","","6235.97","0.14","93","2","93","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C58 H51 B Cu F24 N4 O P Pt -","- C58 H51 B Cu F24 N4 O P Pt -","- C232 H204 B4 Cu4 F96 N16 O4 P4 Pt4 -","4","1","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","0.71073","MoKα","","0.0418","0.0321","","","0.0819","0.0874","","","","","","1.029","","","","has coordinates,has disorder","257398","2020-10-21","18:00:00",""
"1557994","20.7797","0.0002","19.37993","0.00018","17.2379","0.0002","90","","105.44","0.0013","90","","6691.33","0.13","90","2","90","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C65 H51 B Cu F30 N4 O P Pt -","- C65 H51 B Cu F30 N4 O P Pt -","- C260 H204 B4 Cu4 F120 N16 O4 P4 Pt4 -","4","1","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","0.71073","MoKα","","0.053","0.0379","","","0.0954","0.1074","","","","","","1.041","","","","has coordinates,has disorder","257398","2020-10-21","18:00:00",""
"1557996","4.0767","0.0003","15.8073","0.001","10.3549","0.0007","90","","99.786","0.006","90","","657.58","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","","Van Den Broeck, Elias; Verbraeken, Bart; Dedecker, Karen; Cnudde, Pieter; Vanduyfhuys, Louis; Verstraelen, Toon; Van Hecke, Kristof; Jerca, Valentin Victor; Catak, Saron; Hoogenboom, Richard; Van Speybroeck, Veronique","Cation−π Interactions Accelerate the Living Cationic Ring-Opening Polymerization of Unsaturated 2-Alkyl-2-oxazolines","Macromolecules","2020","53","10","3832","3846","10.1021/acs.macromol.0c00865","","x-ray","1.54184","CuKα","","0.0559","0.0513","","","0.1387","0.1455","","","","","","1.084","","","","has coordinates","257163","2020-10-21","18:00:00",""
"1557997","7.2298","0.0002","10.3241","0.0003","19.9155","0.0005","90","","91.2503","0.0014","90","","1486.16","0.07","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 -","- C21 H18 -","- C84 H72 -","4","1","","Wang, Bin; Ong, Derek Yiren; Li, Yihang; Pang, Jia Hao; Watanabe, Kohei; Takita, Ryo; Chiba, Shunsuke","Stereo-controlled anti-hydromagnesiation of aryl alkynes by magnesium hydrides","Chemical Science","2020","11","20","5267","5272","10.1039/D0SC01773F","","","0.71073","MoKα","","0.0776","0.0523","","","0.117","0.1328","","","","","","1.031","","","","has coordinates","257342","2020-10-21","18:00:00",""
"1557998","11.9769","0.0003","5.9444","0.0002","26.845","0.0008","90","","92.8945","0.0013","90","","1908.8","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","1","","Wang, Bin; Ong, Derek Yiren; Li, Yihang; Pang, Jia Hao; Watanabe, Kohei; Takita, Ryo; Chiba, Shunsuke","Stereo-controlled anti-hydromagnesiation of aryl alkynes by magnesium hydrides","Chemical Science","2020","11","20","5267","5272","10.1039/D0SC01773F","","","0.71073","MoKα","","0.1447","0.0695","","","0.1231","0.155","","","","","","1.025","","","","has coordinates","257342","2020-10-21","18:00:00",""
"1557999","19.002","0.0001","8.3505","0.0001","18.6504","0.0001","90","","106.546","0.001","90","","2836.83","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 Br N O2 Si -","- C31 H37 Br N O2 Si -","- C124 H148 Br4 N4 O8 Si4 -","4","1","","Eichenberger, Sarah; Hönig, Moritz; Richter, Matthieu J. R.; Gershoni-Poranne, Renana; Carreira, Erick M.","Ring-fused cyclobutanes via cycloisomerization of alkylidenecyclopropane acylsilanes","Chemical Science","2020","11","20","5294","5298","10.1039/D0SC02224A","","x-ray","1.54184","CuKα","","0.0362","0.0347","","","0.0922","0.0933","","","","","","1.044","","","","has coordinates","257341","2020-10-21","18:00:00",""
"1558000","23.232","0.005","7.4413","0.0014","15.361","0.004","90","","106.818","0.005","90","","2542","1","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 N3 -","- C17 H11 N3 -","- C136 H88 N24 -","8","2","","AYARI, Sami; HIRABAYASHI, Kazunori; SHIMIZU, Toshio; JAMOUSSI, Bassem; SAGLAM, Mehmet F.; ATILLA, Devrim; SUGIURA, Ken-ichi","Crystal Structure of 3-(3-Methyl-1<i>H</i>-indole-1-yl)phthalonitrile","X-ray Structure Analysis Online","2020","36","0","11","13","10.2116/xraystruct.36.11","","","0.71075","MoKα","","0.137","0.0647","","","0.1276","0.1586","","","","","","0.999","","","","has coordinates","258167","2020-10-21","18:00:00",""
"1558001","16.144","0.016","19.437","0.019","22.33","0.02","110.119","0.015","104.06","0.02","90.752","0.015","6346","11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C204 H288 Cl2 Mn12 N10 O40 -","- C204 H270 Cl2 Mn12 N10 O40 -","- C204 H270 Cl2 Mn12 N10 O40 -","1","0.5","","Coletta, Marco; Palacios, Maria A.; Brechin, Euan K.; Dalgarno, Scott J.","A Brucite-Like Mixed-Valent Cluster Capped by [MnIIIp-tBu-calix[4]arene]− Moieties","Chemistry","2020","2","2","253","261","10.3390/chemistry2020016","","","0.71073","MoKα","","0.0719","0.0564","","","0.1696","0.181","","","","","","1.092","","","","has coordinates,has disorder","258181","2020-10-21","18:00:00",""
"1558002","30.24","0.006","3.9413","0.0008","20.418","0.004","90","","107.77","0.03","90","","2317.4","0.9","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 O3 S2 -","- C12 H10 O3 S2 -","- C96 H80 O24 S16 -","8","1","","Ahmadi, Mohsen; Correia, Jevy; Chrysochos, Nicolas; Schulzke, Carola","A Mixed-Valence Tetra-Nuclear Nickel Dithiolene Complex: Synthesis, Crystal Structure, and the Lability of Its Nickel Sulfur Bonds","Inorganics","2020","8","4","27","","10.3390/inorganics8040027","","","0.71073","MoKα","","0.0944","0.0501","","","0.1103","0.1292","","","","","","0.94","","","","has coordinates","251746","2020-10-21","18:00:00",""
"1558003","13.588","0.003","19.062","0.004","16.764","0.003","90","","100.11","0.03","90","","4274.7","1.6","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H74 K2 N2 Ni4 O14 S12 -","- C72 H74 K2 N2 Ni4 O14 S12 -","- C144 H148 K4 N4 Ni8 O28 S24 -","2","0.5","","Ahmadi, Mohsen; Correia, Jevy; Chrysochos, Nicolas; Schulzke, Carola","A Mixed-Valence Tetra-Nuclear Nickel Dithiolene Complex: Synthesis, Crystal Structure, and the Lability of Its Nickel Sulfur Bonds","Inorganics","2020","8","4","27","","10.3390/inorganics8040027","","","0.71073","MoKα","","0.1006","0.0568","","","0.1466","0.1668","","","","","","0.921","","","","has coordinates,has disorder","251747","2020-10-21","18:00:00",""
"1558004","19.2436","0.0006","5.9999","0.0002","8.8316","0.0003","90","","97.833","0.003","90","","1010.18","0.06","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","shuiskite-(Cr)","","","- Al0.6 Ca2 Cr1.92 H3.48 Mg0.48 O14 Si3 -","- Al0.6 Ca2 Cr1.916 Mg0.484 O14 Si3 -","- Al2.4 Ca8 Cr7.664 Mg1.936 O56 Si12 -","4","0.5","","Lykova, Inna; Varlamov, Dmitry; Chukanov, Nikita; Pekov, Igor; Belakovskiy, Dmitry; Ivanov, Oleg; Zubkova, Natalia; Britvin, Sergey","Chromium Members of the Pumpellyite Group: Shuiskite-(Cr), Ca2CrCr2[SiO4][Si2O6(OH)](OH)2O, a New Mineral, and Shuiskite-(Mg), a New Species Name for Shuiskite","Minerals","2020","10","5","390","","10.3390/min10050390","","","0.71073","MoKα","","0.0644","0.0469","","","0.1033","0.1088","","","","","","1.076","","","","has coordinates","251751","2020-10-21","18:00:00",""
"1558005","15.7937","0.0003","7.4944","0.0001","20.8812","0.0002","90","","97.436","0.0013","90","","2450.8","0.06","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O6 -","- C25 H34 O6 -","- C100 H136 O24 -","4","2","","Kanno, Yuichiro; Kusakabe, Taichi; Saito, Nao; Kikkawa, Shoko; Takahashi, Keisuke; Azumaya, Isao; Nemoto, Kiyomitsu; Kato, Keisuke","Improved Synthesis and Determination of the Biologically Active Diastereomer of YK11","Molbank","2020","2020","2","M1125","","10.3390/M1125","","","1.54187","CuKα","","0.041","0.0408","","","0.1132","0.1136","","","","","","1.056","","","","has coordinates","251752","2020-10-21","18:00:00",""
"1558006","4.7803","0.0002","25.1943","0.0014","11.434","0.0006","90","","92.369","0.005","90","","1375.89","0.12","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N O3 S2 -","- C13 H17 N O3 S2 -","- C52 H68 N4 O12 S8 -","4","1","","Aitken, R. Alan; Fotherby, Fiona M.; Slawin, Alexandra M. Z.","2,6-exo-8,12-exo-10-Butyl-13-oxa-3,5-dithia-10-azatetracyclo[5.5.1.02,6.08,12]tridecane-9,11-dione","Molbank","2020","2020","2","M1123","","10.3390/M1123","","","1.54184","CuKα","","0.0556","0.0463","","","0.1332","0.1406","","","","","","1.061","","","","has coordinates","251753","2020-10-21","18:00:00",""
"1558007","9.2448","0.0004","10.1376","0.0004","22.4575","0.0009","90","","90","","90","","2104.72","0.15","170","2","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O6 -","- C22 H32 O6 -","- C88 H128 O24 -","4","1","","Ma, Lie-Feng; Chen, Meng-Jia; Liang, Dong-E; Shi, Lin-Mei; Ying, You-Min; Shan, Wei-Guang; Li, Guo-Qiang; Zhan, Zha-Jun","<i>Streptomyces albogriseolus</i> SY67903 Produces Eunicellin Diterpenoids Structurally Similar to Terpenes of the Gorgonian <i>Muricella sibogae</i>, the Bacterial Source.","Journal of natural products","2020","83","5","1641","1645","10.1021/acs.jnatprod.0c00147","","","1.54178","CuKα","","0.0285","0.0283","","","0.0794","0.0796","","","","","","1.057","","","","has coordinates","252621","2020-10-21","18:00:00",""
"1558008","9.2746","0.0003","10.2656","0.0003","22.5834","0.0007","90","","90","","90","","2150.15","0.12","170","2","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 O6 -","- C22 H34 O6 -","- C88 H136 O24 -","4","1","","Ma, Lie-Feng; Chen, Meng-Jia; Liang, Dong-E; Shi, Lin-Mei; Ying, You-Min; Shan, Wei-Guang; Li, Guo-Qiang; Zhan, Zha-Jun","<i>Streptomyces albogriseolus</i> SY67903 Produces Eunicellin Diterpenoids Structurally Similar to Terpenes of the Gorgonian <i>Muricella sibogae</i>, the Bacterial Source.","Journal of natural products","2020","83","5","1641","1645","10.1021/acs.jnatprod.0c00147","","","1.54178","CuKα","","0.0302","0.0301","","","0.0897","0.0898","","","","","","1.109","","","","has coordinates","252621","2020-10-21","18:00:00",""
"1558009","17.4894","0.0005","7.242","0.00017","20.4992","0.0005","90","","106.179","0.003","90","","2493.56","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Br N3 O2 -","- C12 H14 Br N3 O2 -","- C96 H112 Br8 N24 O16 -","8","2","","Bolotin, Dmitrii S.; Il’in, Mikhail V.; Suslonov, Vitalii V.; Novikov, Alexander S.","Symmetrical Noncovalent Interactions Br···Br Observed in Crystal Structure of Exotic Primary Peroxide","Symmetry","2020","12","4","637","","10.3390/sym12040637","","","0.71073","MoKα","","0.0502","0.0351","","","0.0731","0.0793","","","","","","1.03","","","","has coordinates","251784","2020-10-21","18:00:00",""
"1558010","13.3029","0.0016","9.8247","0.001","16.8935","0.0019","90","","110.005","0.004","90","","2074.7","0.4","150","2","150","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 -","- C31 H20 -","- C124 H80 -","4","1","","Wang, Qiang; Lucas, Fabien; Quinton, Cassandre; Qu, Yang-Kun; Rault-Berthelot, Joëlle; Jeannin, Olivier; Yang, Sheng-Yi; Kong, Fan-Cheng; Kumar, Sarvendra; Liao, Liang-Sheng; Poriel, Cyril; Jiang, Zuo-Quan","Evolution of pure hydrocarbon hosts: simpler structure, higher performance and universal application in RGB phosphorescent organic light-emitting diodes","Chemical Science","2020","11","19","4887","4894","10.1039/D0SC01238F","","x-ray","0.71073","MoKα","","0.0811","0.0479","","","0.1021","0.1149","","","","","","1.029","","","","has coordinates","257327","2020-10-21","18:00:00",""
"1558011","16.6398","0.0011","9.562","0.0006","16.8786","0.0011","90","","106.273","0.004","90","","2578","0.3","296","2","296","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C37 H24 -","- C37 H24 -","- C148 H96 -","4","1","","Wang, Qiang; Lucas, Fabien; Quinton, Cassandre; Qu, Yang-Kun; Rault-Berthelot, Joëlle; Jeannin, Olivier; Yang, Sheng-Yi; Kong, Fan-Cheng; Kumar, Sarvendra; Liao, Liang-Sheng; Poriel, Cyril; Jiang, Zuo-Quan","Evolution of pure hydrocarbon hosts: simpler structure, higher performance and universal application in RGB phosphorescent organic light-emitting diodes","Chemical Science","2020","11","19","4887","4894","10.1039/D0SC01238F","","x-ray","0.71073","MoKα","","0.1906","0.0612","","","0.1113","0.1533","","","","","","0.967","","","","has coordinates","257327","2020-10-21","18:00:00",""
"1558012","11.2023","0.0016","18.671","0.002","14.855","0.002","90","","108.22","0.005","90","","2951.3","0.7","299","","299","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C43 H28 -","- C43 H28 -","- C172 H112 -","4","1","","Wang, Qiang; Lucas, Fabien; Quinton, Cassandre; Qu, Yang-Kun; Rault-Berthelot, Joëlle; Jeannin, Olivier; Yang, Sheng-Yi; Kong, Fan-Cheng; Kumar, Sarvendra; Liao, Liang-Sheng; Poriel, Cyril; Jiang, Zuo-Quan","Evolution of pure hydrocarbon hosts: simpler structure, higher performance and universal application in RGB phosphorescent organic light-emitting diodes","Chemical Science","2020","11","19","4887","4894","10.1039/D0SC01238F","","","0.71073","MoKα","","0.0794","0.0504","","","0.1195","0.1352","","","","","","1.015","","","","has coordinates","257327","2020-10-21","18:00:00",""
"1558013","9.7756","0.0001","9.7756","0.0001","8.7186","0.0002","90","","90","","120","","721.55","0.02","100","2","100","2","","","","","","","","4","P 3","P 3","143","","","","- Be4 H51 I2 N19 -","- Be4 H23.9997 I2 N19 -","- Be4 H23.9997 I2 N19 -","1","0.333333","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.045","0.0447","","","0.1274","0.1277","","","","","","1.164","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558014","13.4543","0.0003","10.5289","0.0003","16.9967","0.0004","90","","111.134","0.002","90","","2245.79","0.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Be4 H42 N22 -","- Be4 H42 N22 -","- Be16 H168 N88 -","4","0.5","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.048","0.0367","","","0.1005","0.1079","","","","","","1.047","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558015","14.2177","0.0013","14.2177","0.0013","8.56","0.0012","90","","90","","120","","1498.5","0.3","100","2","100","2","","","","","","","","4","P 3","P 3","143","","","","- Be4 Br2 H36 N14 -","- Be4 Br2 H23.9997 N14 -","- Be12 Br6 H71.9991 N42 -","3","1","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0705","0.0697","","","0.1757","0.1768","","","","","","1.019","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558016","13.9342","0.0001","13.9342","0.0001","8.3727","0.0001","90","","90","","120","","1407.86","0.02","100","2","100","2","","","","","","","","4","P 3","P 3","143","","","","- Be4 Cl2 H36 N14 -","- Be4 Cl2 H36 N14 -","- Be12 Cl6 H108 N42 -","3","1","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0189","0.0175","","","0.0392","0.0395","","","","","","1.028","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558017","14.0852","0.0002","10.1719","0.0001","18.4646","0.0002","90","","112.217","0.001","90","","2449.08","0.05","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Be4 H42 I2 N16 -","- Be4 H42 I2 N16 -","- Be16 H168 I8 N64 -","4","0.5","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0344","0.0343","","","0.0885","0.0886","","","","","","1.072","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558018","9.9563","0.0002","8.5843","0.0001","24.7099","0.0004","90","","97.454","0.001","90","","2094.06","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H33 Be4 N15 S2 -","- C2 H33 Be4 N15 S2 -","- C8 H132 Be16 N60 S8 -","4","1","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0355","0.0239","","","0.0567","0.0597","","","","","","0.905","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558019","9.9478","0.0003","9.9478","0.0003","5.4077","0.0003","90","","90","","90","","535.14","0.04","100","2","100","2","","","","","","","","4","P 42 21 2","P 4n 2n","94","","","","- C8 H16 Be N6 -","- C8 H16 Be N6 -","- C16 H32 Be2 N12 -","2","0.25","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0443","0.0369","","","0.0954","0.0996","","","","","","1.083","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558020","14.1334","0.0003","14.1334","0.0003","8.5563","0.0003","90","","90","","120","","1480.16","0.07","100","2","100","2","","","","","","","","4","P 3","P 3","143","","","","- C2 H36 Be4 N16 -","- C2 H35.9997 Be4 N16 -","- C6 H107.999 Be12 N48 -","3","1","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0407","0.034","","","0.084","0.0862","","","","","","0.995","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558021","20.1994","0.0002","21.2118","0.0002","23.3361","0.0003","90","","90","","90","","9998.72","0.19","100","2","100","2","","","","","","","","6","C c c m","-C 2 2c","66","","","","- C20 H44 Be8 I2 N16 O -","- C20 H44 Be8 I2 N16 O -","- C160 H352 Be64 I16 N128 O8 -","8","0.5","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0305","0.027","","","0.071","0.0732","","","","","","1.036","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558022","13.3705","0.0002","7.2739","0.0001","31.8622","0.0005","90","","90","","90","","3098.78","0.08","170","2","170.02","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H19 N O6 S -","- C15 H19 N O6 S -","- C120 H152 N8 O48 S8 -","8","1","","Wu, Xiao-Yun; Gui, Hou-Ze; Jangra, Harish; Wei, Yin; Zipse, Hendrik; Shi, Min","Phosphine-catalyzed [3 + 2] annulation of 2-aminoacrylates with allenoates and mechanistic studies","Catalysis Science & Technology","2020","10","12","3959","3964","10.1039/D0CY00092B","","","1.34139","GaKα","","0.0351","0.0331","","","0.0861","0.0877","","","","","","1.069","","","","has coordinates","257222","2020-10-21","18:00:00",""
"1558023","9.8512","0.0013","5.7699","0.0008","11.7734","0.0016","90","","102.85","0.003","90","","652.45","0.15","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 O5 -","- C5 H8 O5 -","- C20 H32 O20 -","4","1","","Vil', Vera A.; Barsegyan, Yana A.; Kuhn, Leah; Ekimova, Maria V.; Semenov, Egor A.; Korlyukov, Alexander A.; Terent'ev, Alexander O.; Alabugin, Igor V.","Synthesis of unstrained Criegee intermediates: inverse α-effect and other protective stereoelectronic forces can stop Baeyer‒Villiger rearrangement of γ-hydroperoxy-γ-peroxylactones","Chemical Science","2020","11","20","5313","5322","10.1039/D0SC01025A","","","0.71073","MoKα","","0.0478","0.0366","","","0.091","0.097","","","","","","1.044","","","","has coordinates","257343","2020-10-21","18:00:00",""
"1558024","17.7314","0.0002","17.0501","0.0002","26.7696","0.0004","90","","106.599","0.001","90","","7755.79","0.18","180","0.11","180","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H53 Dy2 N4 Ni S2 -","- C126 H53 Dy1.997 N4 Ni S2 -","- C504 H212 Dy7.988 N16 Ni4 S8 -","4","1","","Wang, Yuanyuan; Xiong, Jin; Su, Jie; Hu, Ziqi; Ma, Fang; Sun, Rong; Tan, Xueyou; Sun, Hao-Ling; Wang, Bing-Wu; Shi, Zujin; Gao, Song","Dy<sub>2</sub>@C<sub>79</sub>N: a new member of dimetalloazafullerenes with strong single molecular magnetism.","Nanoscale","2020","12","20","11130","11135","10.1039/d0nr02519d","","x-ray","0.71073","MoKα","","0.1147","0.1029","","","0.2171","0.2242","","","","","","1.061","","","","has coordinates","252848","2020-10-21","18:00:00",""
"1558025","38.5523","0.0009","38.5523","0.0009","29.1596","0.0008","90","","90","","90","","43339.3","1.9","150","2","150","2","","","","","","","","9","I 41/a :2","-I 4ad","88","","","","- C32 H318 K8 N16 Na6 O402 Pr8 Te8 W88 -","- C16 H64 K4 N8 Na4 O368 Pr8 Te8 W88 -","- C64 H256 K16 N32 Na16 O1472 Pr32 Te32 W352 -","4","0.25","","Zhang, Yan; Jiang, Jun; Liu, Yifan; Li, Pan; Liu, Yong; Chen, Lijuan; Zhao, Junwei","Multi-praseodymium-and-tungsten bridging octameric tellurotungstate and its 2D honeycomb composite film for detecting estrogen.","Nanoscale","2020","12","19","10842","10853","10.1039/d0nr01901a","","","0.71073","MoKα","","0.0416","0.037","","","0.0928","0.0957","","","","","","1.069","","","","has coordinates","252847","2020-10-21","18:00:00",""
"1558026","26.6378","0.0006","9.0287","0.0002","27.648","0.0006","90","","110.854","0.001","90","","6213.9","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31.75 H28 Ag F3 N2 O3.75 P S -","- C31.75 H28 Ag F3 N2 O3.75 P S -","- C254 H224 Ag8 F24 N16 O30 P8 S8 -","8","2","","Rath, Bibhuti Bhusan; Kole, Goutam Kumar; Morris, Samuel Alexander; Vittal, Jagadese J.","Rotation of a helical coordination polymer by mechanical grinding.","Chemical communications (Cambridge, England)","2020","56","46","6289","6292","10.1039/d0cc02158j","","","0.71073","MoKα","","0.0795","0.0532","","","0.0898","0.099","","","","","","1.032","","","","has coordinates,has disorder","253794","2020-10-21","18:00:00",""
"1558027","10.4634","0.0005","8.3919","0.0004","10.5935","0.0006","90","","98.999","0.002","90","","918.74","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C48 H40 N8 -","2","0.5","","Rath, Bibhuti Bhusan; Kole, Goutam Kumar; Morris, Samuel Alexander; Vittal, Jagadese J.","Rotation of a helical coordination polymer by mechanical grinding.","Chemical communications (Cambridge, England)","2020","56","46","6289","6292","10.1039/d0cc02158j","","","0.71073","MoKα","","0.056","0.0505","","","0.1336","0.1384","","","","","","1.051","","","","has coordinates","253794","2020-10-21","18:00:00",""
"1558028","38.649","0.004","38.649","0.004","38.649","0.004","90","","90","","90","","57732","10","100","2","100","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","PCN-224'","[H2TCPP]3[Zr6O4(OH)4(CH3CO2)6]2","","- C168 H114 N12 O64 Zr12 -","- C168 H114 N12 O64 Zr12 -","- C672 H456 N48 O256 Zr48 -","4","0.0416667","","Zee, David Z.; Harris, T. David","Enhancing catalytic alkane hydroxylation by tuning the outer coordination sphere in a heme-containing metal-organic framework.","Chemical science","2020","11","21","5447","5452","10.1039/d0sc01796e","","","1.54178","CuKα","","0.061","0.0563","","","0.1399","0.145","","","","","","1.132","","","","has coordinates,has disorder","256051","2020-10-21","18:00:00",""
"1558029","38.4891","0.0009","38.4891","0.0009","38.4891","0.0009","90","","90","","90","","57018","2","100","2","100","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","PCN-224'FeCl","[FeCl(TCPP)]3[ZrO4(OH)4(CH3CO2)6]2","","- C168 H108 Cl3 Fe3 N12 O64 Zr12 -","- C168 H112.704 Cl3 Fe3 N12 O64 Zr12 -","- C672 H450.816 Cl12 Fe12 N48 O256 Zr48 -","4","0.0416667","","Zee, David Z.; Harris, T. David","Enhancing catalytic alkane hydroxylation by tuning the outer coordination sphere in a heme-containing metal-organic framework.","Chemical science","2020","11","21","5447","5452","10.1039/d0sc01796e","","","1.54178","CuKα","","0.0844","0.0733","","","0.2249","0.2456","","","","","","1.191","","","","has coordinates,has disorder","256051","2020-10-21","18:00:00",""
"1558030","38.8372","0.0012","38.8372","0.0012","38.8372","0.0012","90","","90","","90","","58579","3","100","2","100","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","PCN-224","[H2TCPP]3[Zr6O4(mu-OH)4(OH)6]2","","- C144 H90 N12 O52 Zr12 -","- C144 H90 N12 O52 Zr12 -","- C576 H360 N48 O208 Zr48 -","4","0.0416667","","Zee, David Z.; Harris, T. David","Enhancing catalytic alkane hydroxylation by tuning the outer coordination sphere in a heme-containing metal-organic framework.","Chemical science","2020","11","21","5447","5452","10.1039/d0sc01796e","","","0.71073","MoKα","","0.0845","0.0696","","","0.2005","0.2246","","","","","","1.038","","","","has coordinates","256051","2020-10-21","18:00:00",""
"1558031","7.749","0.0003","7.749","0.0003","22.032","0.0011","90","","90","","90","","1322.96","0.1","150","2","150","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C13 H14 N4 O -","- C13 H14 N4 O -","- C52 H56 N16 O4 -","4","0.5","","Heywood, Victoria L.; Alford, Thomas P. J.; Roeleveld, Julius J.; Lekanne Deprez, Siebe J.; Verhoofstad, Abraham; van der Vlugt, Jarl Ivar; Domingos, Sérgio R.; Schnell, Melanie; Davis, Anthony P.; Mooibroek, Tiddo J.","Observations of tetrel bonding between sp3-carbon and THF","Chemical Science","2020","11","20","5289","5293","10.1039/D0SC01559H","","","0.71073","MoKα","","0.0468","0.0409","","","0.1126","0.1171","","","","","","0.975","","","","has coordinates","257344","2020-10-21","18:00:00",""
"1558032","15.7335","0.0016","15.6057","0.0016","26.314","0.003","90","","100.54","0.003","90","","6351.9","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Iron Diesterporphyrin","FeDEsP","","- C152 H112 Fe4 N16 O18 -","- C152 H109 Fe4 N16 O18 -","- C304 H218 Fe8 N32 O36 -","2","0.5","","Amanullah, Sk; Dey, Abhishek","The role of porphyrin peripheral substituents in determining the reactivities of ferrous nitrosyl species.","Chemical science","2020","11","23","5909","5921","10.1039/d0sc01625j","","","0.71073","MoKα","","0.2678","0.0836","","","0.1587","0.2346","","","","","","0.956","","","","has coordinates,has disorder","256048","2020-10-21","18:00:00",""
"1558033","11.301","0.003","13.669","0.003","14.795","0.004","92.292","0.008","90.441","0.009","109.916","0.007","2146.5","0.9","119","2","119","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H74 Cl6 N8 O16 Zn2 -","- C90 H74 Cl6 N8 O16 Zn2 -","- C90 H74 Cl6 N8 O16 Zn2 -","1","0.5","","Amanullah, Sk; Dey, Abhishek","The role of porphyrin peripheral substituents in determining the reactivities of ferrous nitrosyl species.","Chemical science","2020","11","23","5909","5921","10.1039/d0sc01625j","","","0.71073","MoKα","","0.1016","0.0548","","","0.1238","0.1474","","","","","","1.029","","","","has coordinates","256048","2020-10-21","18:00:00",""
"1558034","13.344","0.003","21.257","0.005","14.059","0.003","90","","90","","90","","3987.9","1.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Zinc Diesterporphyrin","ZnDEsC","","- C45 H38 N5 O5 Zn -","- C45 H28 N5 O5 Zn -","- C180 H112 N20 O20 Zn4 -","4","0.5","","Amanullah, Sk; Dey, Abhishek","The role of porphyrin peripheral substituents in determining the reactivities of ferrous nitrosyl species.","Chemical science","2020","11","23","5909","5921","10.1039/d0sc01625j","","","0.71073","MoKα","","0.0309","0.0281","","","0.0906","0.0922","","","","","","1.158","","","","has coordinates","256048","2020-10-21","18:00:00",""
"1558035","4.8774","0.0013","9.47","0.003","12.719","0.003","106.784","0.007","97.222","0.007","92.444","0.008","556.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-(2-Ethoxy-2-oxoacetamido)benzoic acid","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C22 H22 N2 O10 -","2","1","XU4040","Yu, MingChao; Wang, LinLin; Wang, LingYang; Wu, ZhiYong","2-(2-Ethoxy-2-oxoacetamido)benzoic acid","IUCrData","2020","5","5","x200603","","10.1107/S2414314620006033","","","0.71073","MoKα","","0.0608","0.0487","","","0.1264","0.1375","","","","","","1.063","","","","has coordinates,has Fobs","251892","2020-10-21","18:00:00",""
"1558039","13.8753","0.0008","15.2122","0.0008","15.5548","0.0008","100.549","0.005","116.109","0.006","96.443","0.005","2828.4","0.3","179.99","0.1","179.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C58 H38 F8 N2 O4 -","- C58 H38 F8 N2 O4 -","- C116 H76 F16 N4 O8 -","2","1","","Zhao, Xiangxiang; Chen, Zhongtao; Li, Hao; Ma, Yuguo","Stereoselectivity Inversion: Isospecific Propylene Polymerization Catalyzed by Rigid Cyclic Bis(phenoxyaldimine) Titanium Complexes","Macromolecules","2020","53","10","3806","3813","10.1021/acs.macromol.0c00468","","x-ray","0.71073","MoKα","","0.128","0.0901","","","0.1959","0.214","","","","","","1.043","","","","has coordinates","257164","2020-10-21","18:00:00",""
"1558040","13.843","0.0005","23.5705","0.0009","33.4177","0.0011","90","","90","","90","","10903.7","0.7","99.94","0.15","99.94","0.15","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C65 H51 Cl3 F8 N2 O4 -","- C65 H51 Cl3 F8 N2 O4 -","- C520 H408 Cl24 F64 N16 O32 -","8","1","","Zhao, Xiangxiang; Chen, Zhongtao; Li, Hao; Ma, Yuguo","Stereoselectivity Inversion: Isospecific Propylene Polymerization Catalyzed by Rigid Cyclic Bis(phenoxyaldimine) Titanium Complexes","Macromolecules","2020","53","10","3806","3813","10.1021/acs.macromol.0c00468","","x-ray","0.71073","MoKα","","0.1166","0.0874","","","0.1948","0.2125","","","","","","1.051","","","","has coordinates","257164","2020-10-21","18:00:00",""
"1558041","20.1165","0.0002","14.3784","0.0002","22.1071","0.0003","90","","90.242","0.001","90","","6394.27","0.14","179.99","0.1","179.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H36 Cl2 F8 N2 O4 Ti -","- C58 H36 Cl2 F8 N2 O4 Ti -","- C232 H144 Cl8 F32 N8 O16 Ti4 -","4","1","","Zhao, Xiangxiang; Chen, Zhongtao; Li, Hao; Ma, Yuguo","Stereoselectivity Inversion: Isospecific Propylene Polymerization Catalyzed by Rigid Cyclic Bis(phenoxyaldimine) Titanium Complexes","Macromolecules","2020","53","10","3806","3813","10.1021/acs.macromol.0c00468","","x-ray","0.71073","MoKα","","0.0468","0.0363","","","0.0967","0.1014","","","","","","1.052","","","","has coordinates","257164","2020-10-21","18:00:00",""
"1558045","9.1084","0.0006","11.7267","0.0007","16.3308","0.0009","85.341","0.002","89.88","0.002","70.285","0.002","1636.05","0.17","100","","100","","","","","","","","see text","7","P -1","-P 1","2","","","","- C23 H22 F9 Fe N10 O9 S3 -","- C23 H22 F9 Fe N10 O9 S3 -","- C46 H44 F18 Fe2 N20 O18 S6 -","2","1","","Dyckhoff, Florian; Schlagintweit, Jonas F.; Reich, Robert M.; Kühn, Fritz E.","Pushing the limits of activity and stability: the effects of Lewis acids on non-heme iron‒NHC epoxidation catalysts","Catalysis Science & Technology","2020","10","11","3532","3536","10.1039/D0CY00631A","","x-ray","0.71073","MoKα","","0.065","0.0635","","","0.1688","0.17","","","","","","1.046","","","","has coordinates","257218","2020-10-21","18:00:00",""
"1558046","13.4808","0.0009","14.1304","0.001","20.7309","0.0015","81.16","0.002","85.017","0.002","77.197","0.002","3799.4","0.5","116","2","116","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H118 N4 Si10 -","- C66 H118 N4 Si10 -","- C132 H236 N8 Si20 -","2","1","","Keuter, Jan; Schwermann, Christian; Hepp, Alexander; Bergander, Klaus; Droste, Jörn; Hansen, Michael Ryan; Doltsinis, Nikos L.; Mück-Lichtenfeld, Christian; Lips, Felicitas","A highly unsaturated six-vertex amido-substituted silicon cluster.","Chemical science","2020","11","23","5895","5901","10.1039/d0sc01427c","","","0.71073","MoKα","","0.0476","0.0354","","","0.0881","0.0935","","","","","","1.02","","","","has coordinates,has disorder","256046","2020-10-21","18:00:00",""
"1558047","11.9911","0.0001","34.2594","0.0003","15.9758","0.0002","90","","107.614","0.001","90","","6255.29","0.11","170","0.1","170","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H35 B F4 -","- C40 H35 B F4 -","- C320 H280 B8 F32 -","8","2","","Fu, Xiangyu; Han, Han; Zhang, Di; Yu, Han; He, Qilin; Zhao, Dahui","A polycyclic aromatic hydrocarbon diradical with pH-responsive magnetic properties.","Chemical science","2020","11","21","5565","5571","10.1039/d0sc00770f","","x-ray","1.54184","CuKα","","0.1045","0.0892","","","0.2649","0.2848","","","","","","1.066","","","","has coordinates","256050","2020-10-21","18:00:00",""
"1558048","16.7567","0.0005","16.7567","0.0005","25.0576","0.0008","90","","90","","120","","6093.2","0.3","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C43 H121 Er3 N12 O43 Yb3 -","- C42.9962 H120.983 Er3 N12 O42.996 Yb3 -","- C128.989 H362.95 Er9 N36 O128.988 Yb9 -","3","0.166667","","Gálico, Diogo A; Ovens, Jeffrey S.; Murugesu, Muralee","NIR-to-NIR emission on a water-soluble {Er<sub>6</sub>} and {Er<sub>3</sub>Yb<sub>3</sub>} nanosized molecular wheel.","Nanoscale","2020","12","21","11435","11439","10.1039/d0nr02236e","","","0.71073","MoKα","","0.0275","0.0242","","","0.0626","0.0643","","","","","","1.065","","","","has coordinates,has disorder","252856","2020-10-21","18:00:00",""
"1558049","12.1098","0.0003","12.8247","0.0003","24.7696","0.0006","97.196","0.002","102.549","0.001","98.363","0.002","3665.67","0.16","201","2","201","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H86 Cl4 N12 O39 Yb6 -","- C40 H86 Cl4 N12 O39 Yb6 -","- C80 H172 Cl8 N24 O78 Yb12 -","2","1","","Gálico, Diogo A; Ovens, Jeffrey S.; Murugesu, Muralee","NIR-to-NIR emission on a water-soluble {Er<sub>6</sub>} and {Er<sub>3</sub>Yb<sub>3</sub>} nanosized molecular wheel.","Nanoscale","2020","12","21","11435","11439","10.1039/d0nr02236e","","","0.71073","MoKα","","0.0464","0.0363","","","0.0714","0.0749","","","","","","1.085","","","","has coordinates,has disorder","252856","2020-10-21","18:00:00",""
"1558050","18.3346","0.0007","15.7546","0.0003","18.3241","0.0003","90","","90.531","0.001","90","","5292.8","0.2","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","bis-(1H-benzimidazol-2-yl)-methane","","- C15 H12 N4 -","- C15 H12 N4 -","- C240 H192 N64 -","16","4","","Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu","Metaelectric multiphase transitions in a highly polarizable molecular crystal.","Chemical science","2020","11","24","6183","6192","10.1039/d0sc01687j","","","1","Synchrotron","","0.0797","0.04","","","0.1173","0.1324","","","","","","0.909","","","","has coordinates","256035","2020-10-21","18:00:00",""
"1558051","18.3126","0.0004","18.3126","0.0004","15.7252","0.0005","90","","90","","90","","5273.5","0.2","296","","296","","","","","","","","","3","P 43","P 4cw","78","","N-deuterated bis-(1H-benzimidazol-2-yl)-methane","","- C15 H12 N4 -","- C15 H12 N4 -","- C240 H192 N64 -","16","4","","Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu","Metaelectric multiphase transitions in a highly polarizable molecular crystal.","Chemical science","2020","11","24","6183","6192","10.1039/d0sc01687j","","","0.71073","MoKα","","0.0824","0.0465","","","0.1319","0.1527","","","","","","1.014","","","","has coordinates","256035","2020-10-21","18:00:00",""
"1558052","18.2293","0.0003","18.2293","0.0003","15.6088","0.0007","90","","90","","90","","5186.9","0.3","160","","160","","","","","","","","","3","P 41","P 4w","76","","bis-(1H-benzimidazol-2-yl)-methane","","- C15 H12 N4 -","- C15 H12 N4 -","- C240 H192 N64 -","16","4","","Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu","Metaelectric multiphase transitions in a highly polarizable molecular crystal.","Chemical science","2020","11","24","6183","6192","10.1039/d0sc01687j","","","1","Synchrotron","","0.1195","0.0571","","","0.1749","0.2036","","","","","","1.067","","","","has coordinates","256035","2020-10-21","18:00:00",""
"1558053","22.088","0.003","5.586","0.0007","24.017","0.003","90","","115.257","0.003","90","","2680","0.6","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis-(1H-benzimidazol-2-yl)-methane methanol solvate","","- C31 H28 N8 O -","- C31 H28 N8 O -","- C124 H112 N32 O4 -","4","0.5","","Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu","Metaelectric multiphase transitions in a highly polarizable molecular crystal.","Chemical science","2020","11","24","6183","6192","10.1039/d0sc01687j","","","0.71075","MoKα","","0.0562","0.041","","","0.0923","0.1018","","","","","","1.025","","","","has coordinates","256035","2020-10-21","18:00:00",""
"1558054","18.3296","0.0017","15.7595","0.0015","18.3254","0.0016","90","","90.612","0.003","90","","5293.3","0.8","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","bis-(1H-benzimidazol-2-yl)-methane","","- C15 H12 N4 -","- C15 H12 N4 -","- C240 H192 N64 -","16","4","","Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu","Metaelectric multiphase transitions in a highly polarizable molecular crystal.","Chemical science","2020","11","24","6183","6192","10.1039/d0sc01687j","","","0.71075","MoKα","","0.1199","0.0689","","","0.1621","0.1955","","","","","","1.061","","","","has coordinates","256035","2020-10-21","18:00:00",""
"1558055","7.963","0.002","8.349","0.002","9.742","0.002","90","","111.776","0.004","90","","601.5","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N4 -","- C16 H12 N4 -","- C32 H24 N8 -","2","0.5","","Deville, Claire; Folkjær, Mads; Reinholdt, Peter; Hvid, Mathias S.; Lamagni, Paolo; Borup, Kasper; Sun, Zhaozong; Lauritsen, Jeppe Vang; McKee, Vickie; Jensen, Kirsten M Ø; Lock, Nina","Cubes on a string: a series of linear coordination polymers with cubane-like nodes and dicarboxylate linkers.","Nanoscale","2020","12","21","11601","11611","10.1039/d0nr01503b","","","0.56086","AgKα","","0.0696","0.0527","","","0.1208","0.1294","","","","","","1.106","","","","has coordinates","252855","2020-10-21","18:00:00",""
"1558056","15.6211","0.0008","21.1135","0.0012","32.721","0.003","90","","93.605","0.005","90","","10770.6","1.3","100","0.16","100","0.16","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C82 H65 Co4 N16 O12 -","- C82 H65 Co4 N16 O12 -","- C328 H260 Co16 N64 O48 -","4","1","","Deville, Claire; Folkjær, Mads; Reinholdt, Peter; Hvid, Mathias S.; Lamagni, Paolo; Borup, Kasper; Sun, Zhaozong; Lauritsen, Jeppe Vang; McKee, Vickie; Jensen, Kirsten M Ø; Lock, Nina","Cubes on a string: a series of linear coordination polymers with cubane-like nodes and dicarboxylate linkers.","Nanoscale","2020","12","21","11601","11611","10.1039/d0nr01503b","","","0.71073","MoKα","","0.1772","0.1143","","","0.2778","0.3252","","","","","","0.978","","","","has coordinates","252855","2020-10-21","18:00:00",""
"1558057","19.5696","0.0002","19.5696","0.0002","26.6481","0.0004","90","","90","","90","","10205.4","0.2","100.01","0.11","100.01","0.11","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C80 H64 Co4 N16 O14 -","- C80 H64 Co4 N16 O14 -","- C320 H256 Co16 N64 O56 -","4","0.5","","Deville, Claire; Folkjær, Mads; Reinholdt, Peter; Hvid, Mathias S.; Lamagni, Paolo; Borup, Kasper; Sun, Zhaozong; Lauritsen, Jeppe Vang; McKee, Vickie; Jensen, Kirsten M Ø; Lock, Nina","Cubes on a string: a series of linear coordination polymers with cubane-like nodes and dicarboxylate linkers.","Nanoscale","2020","12","21","11601","11611","10.1039/d0nr01503b","","","0.71073","MoKα","","0.0503","0.0447","","","0.1135","0.1165","","","","","","1.03","","","","has coordinates,has disorder","252855","2020-10-21","18:00:00",""
"1558058","10.236","0.0015","32.92","0.005","10.7797","0.0014","90","","105.178","0.005","90","","3505.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","MesN3","","- C38 H60 Al N3 -","- C38 H60 Al N3 -","- C152 H240 Al4 N12 -","4","1","","Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger","Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles.","Chemical science","2020","11","21","5559","5564","10.1039/d0sc02032j","","","0.71073","MoKα","","0.0465","0.0405","","","0.1037","0.1083","","","","","","1.031","","","","has coordinates","256049","2020-10-21","18:00:00",""
"1558059","8.755","0.004","15.965","0.005","11.067","0.005","90","","96.64","0.02","90","","1536.5","1.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","tertbutylaluminol","","- C32 H58 Al2 -","- C32 H58 Al2 -","- C64 H116 Al4 -","2","0.5","","Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger","Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles.","Chemical science","2020","11","21","5559","5564","10.1039/d0sc02032j","","","0.71073","MoKα","","0.0612","0.0462","","","0.1167","0.1288","","","","","","1.052","","","","has coordinates","256049","2020-10-21","18:00:00",""
"1558060","12.957","0.006","16.692","0.007","15.618","0.006","90","","96.13","0.02","90","","3359","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","DMAP_koordiniert","","- C36 H59 Al N2 -","- C36 H59 Al N2 -","- C144 H236 Al4 N8 -","4","1","","Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger","Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles.","Chemical science","2020","11","21","5559","5564","10.1039/d0sc02032j","","","0.71073","MoKα","","0.0505","0.0364","","","0.087","0.0956","","","","","","1.012","","","","has coordinates","256049","2020-10-21","18:00:00",""
"1558061","9.335","0.004","16.672","0.009","17.185","0.007","90","","93.88","0.03","90","","2668","2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Cp3taluminol","","- C29 H49 Al -","- C29 H49 Al -","- C116 H196 Al4 -","4","1","","Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger","Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles.","Chemical science","2020","11","21","5559","5564","10.1039/d0sc02032j","","","0.71073","MoKα","","0.104","0.0636","","","0.1535","0.1767","","","","","","1.015","","","","has coordinates","256049","2020-10-21","18:00:00",""
"1558062","9.601","0.002","12.75","0.003","13.314","0.002","97.397","0.006","93.793","0.015","94.404","0.007","1606.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","TMSN3","","- C32 H58 Al N Si -","- C32 H58 Al N Si -","- C64 H116 Al2 N2 Si2 -","2","1","","Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger","Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles.","Chemical science","2020","11","21","5559","5564","10.1039/d0sc02032j","","","0.71073","MoKα","","0.036","0.0337","","","0.0871","0.0889","","","","","","1.033","","","","has coordinates","256049","2020-10-21","18:00:00",""
"1558063","19.5714","0.0005","14.2192","0.0003","14.836","0.0004","90","","96.397","0.001","90","","4103","0.18","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Terhphenylazid","","- C47 H62 Al N3 -","- C47 H62 Al N3 -","- C188 H248 Al4 N12 -","4","1","","Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger","Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles.","Chemical science","2020","11","21","5559","5564","10.1039/d0sc02032j","","","0.71073","MoKα","","0.1059","0.1029","","","0.2254","0.2266","","","","","","1.281","","","","has coordinates,has disorder","256049","2020-10-21","18:00:00",""
"1558064","9.29339","0.00012","13.27724","0.00015","20.1881","0.0003","90","","91.3644","0.0012","90","","2490.31","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 I2 Ir N3 O2 -","- C22 H28 I2 Ir N3 O2 -","- C88 H112 I8 Ir4 N12 O8 -","4","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","0.71073","MoKα","","0.0273","0.0208","","","0.0381","0.0398","","","","","","1.093","","","","has coordinates","257399","2020-10-21","18:00:00",""
"1558065","23.165","0.0004","7.44609","0.00009","15.706","0.0002","90","","107.268","0.0016","90","","2587.01","0.07","150","2","150","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C26 H25.5 F3 I Ir N3 O P0.5 -","- C26 H25.5 F3 I Ir N3 O P0.5 -","- C104 H102 F12 I4 Ir4 N12 O4 P2 -","4","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","0.71073","MoKα","","0.0314","0.0231","","","0.0416","0.0439","","","","","","1.05","","","","has coordinates,has disorder","257399","2020-10-21","18:00:00",""
"1558066","9.61097","0.00008","20.10144","0.00016","14.45419","0.00015","90","","103.426","0.001","90","","2716.15","0.04","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Br F6 I Ir N3 O2 P -","- C22 H27 Br F6 I Ir N3 O2 P -","- C88 H108 Br4 F24 I4 Ir4 N12 O8 P4 -","4","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","1.54184","CuKα","","0.0295","0.0293","","","0.077","0.0772","","","","","","1.121","","","","has coordinates,has disorder","257399","2020-10-21","18:00:00",""
"1558067","9.8587","0.0001","20.2807","0.0002","15.0835","0.0002","90","","105.245","0.001","90","","2909.69","0.06","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 F9 I Ir N3 O2 P -","- C23 H27 F9 I Ir N3 O2 P -","- C92 H108 F36 I4 Ir4 N12 O8 P4 -","4","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","1.54184","CuKα","","0.0526","0.0507","","","0.1375","0.1404","","","","","","1.052","","","","has coordinates,has disorder","257399","2020-10-21","18:00:00",""
"1558068","9.1942","0.0001","8.2158","0.0001","33.7933","0.0003","90","","95.783","0.001","90","","2539.68","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 I2 Ir N3 -","- C26 H26 I2 Ir N3 -","- C104 H104 I8 Ir4 N12 -","4","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","1.54184","CuKα","","0.0262","0.0255","","","0.061","0.0613","","","","","","1.149","","","","has coordinates","257399","2020-10-21","18:00:00",""
"1558069","31.7681","0.0004","8.7023","0.0001","16.6407","0.0002","90","","94.935","0.001","90","","4583.36","0.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 I2 Ir N3 -","- C21 H24 I2 Ir N3 -","- C168 H192 I16 Ir8 N24 -","8","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","0.71073","MoKα","","0.0257","0.0199","","","0.0401","0.042","","","","","","1.057","","","","has coordinates","257399","2020-10-21","18:00:00",""
"1558070","8.93939","0.00015","18.6768","0.0003","13.452","0.0002","90","","94.066","0.0014","90","","2240.28","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H27.5 Cl1.5 Ir N3 O2 -","- C22 H27.5 Cl1.5 Ir N3 O2 -","- C88 H110 Cl6 Ir4 N12 O8 -","4","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","0.71073","MoKα","","0.035","0.0245","","","0.0684","0.0991","","","","","","1.297","","","","has coordinates","257399","2020-10-21","18:00:00",""
"1558071","8.71914","0.00018","9.9018","0.0002","15.7288","0.0003","89.3248","0.0016","78.0376","0.0016","88.7062","0.0017","1328.09","0.05","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H26 Cl F6 Ir N3 O P -","- C26 H26 Cl F6 Ir N3 O P -","- C52 H52 Cl2 F12 Ir2 N6 O2 P2 -","2","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","0.71073","MoKα","","0.034","0.0277","","","0.0595","0.0618","","","","","","1.059","","","","has coordinates","257399","2020-10-21","18:00:00",""
"1558072","14.6069","0.0006","8.871","0.0004","12.0927","0.0008","90","","90.801","0.003","90","","1566.79","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N2 O4 Re -","- C15 H19 N2 O4 Re -","- C60 H76 N8 O16 Re4 -","4","1","","Li, Jing; Lutz, Martin; Klein Gebbink, Robertus J. M.","N,N,O-Coordinated tricarbonylrhenium precatalysts for the aerobic deoxydehydration of diols and polyols","Catalysis Science & Technology","2020","10","11","3782","3788","10.1039/D0CY00618A","","","0.71073","MoKα","","0.0406","0.0354","","","0.0886","0.0913","","","","","","1.054","","","","has coordinates","257219","2020-10-21","18:00:00",""
"1558073","23.927","0.0007","9.4928","0.0003","22.1646","0.0007","90","","106.575","0.002","90","","4825.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H35 N2 O4 Re -","- C23 H35 N2 O4 Re -","- C184 H280 N16 O32 Re8 -","8","1","","Li, Jing; Lutz, Martin; Klein Gebbink, Robertus J. M.","N,N,O-Coordinated tricarbonylrhenium precatalysts for the aerobic deoxydehydration of diols and polyols","Catalysis Science & Technology","2020","10","11","3782","3788","10.1039/D0CY00618A","","","0.71073","MoKα","","0.0503","0.0296","","","0.0562","0.0611","","","","","","1.012","","","","has coordinates","257219","2020-10-21","18:00:00",""
"1558074","8.90063","0.00016","11.9803","0.0003","31.8099","0.0007","90","","90","","90","","3391.96","0.13","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N3 O6 Re -","- C15 H18 N3 O6 Re -","- C120 H144 N24 O48 Re8 -","8","1","","Li, Jing; Lutz, Martin; Klein Gebbink, Robertus J. M.","N,N,O-Coordinated tricarbonylrhenium precatalysts for the aerobic deoxydehydration of diols and polyols","Catalysis Science & Technology","2020","10","11","3782","3788","10.1039/D0CY00618A","","","0.71073","MoKα","","0.0402","0.0229","","","0.0403","0.0443","","","","","","1.028","","","","has coordinates","257219","2020-10-21","18:00:00",""
"1558075","7.9439","0.0004","8.6162","0.0004","25.8718","0.0012","90","","90","","90","","1770.83","0.15","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Fe N O3 -","- C21 H21 Fe N O3 -","- C84 H84 Fe4 N4 O12 -","4","1","","Larin, Egor M.; Loup, Joachim; Polishchuk, Iuliia; Ross, Rachel J.; Whyte, Andrew; Lautens, Mark","Enantio- and diastereoselective conjugate borylation/Mannich cyclization","Chemical Science","2020","11","22","5716","5723","10.1039/D0SC02421J","","","0.71073","MoKα","","0.0249","0.0213","","","0.0519","0.0536","","","","","","1.052","","","","has coordinates","257296","2020-10-21","18:00:00",""
"1558076","10.0067","0.0005","14.2962","0.0007","16.3689","0.0008","99.987","0.004","105.704","0.004","107.788","0.004","2061","0.2","220","","220","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H72 B4 Dy2 O2 -","- C34 H72 B4 Dy2 O2 -","- C68 H144 B8 Dy4 O4 -","2","1","","He, Mian; Guo, Fu-Sheng; Tang, Jinkui; Mansikkamäki, Akseli; Layfield, Richard A.","Fulvalene as a platform for the synthesis of a dimetallic dysprosocenium single-molecule magnet.","Chemical science","2020","11","22","5745","5752","10.1039/d0sc02033h","","x-ray","1.54184","CuKα","","0.0444","0.0346","","","0.0806","0.0865","","","","","","1.038","","","","has coordinates","256040","2020-10-21","18:00:00",""
"1558077","13.3199","0.0001","18.1439","0.0001","19.6411","0.0002","90","","107.366","0.001","90","","4530.39","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H78 B2 Dy2 -","- C46 H78 B2 Dy2 -","- C184 H312 B8 Dy8 -","4","1","","He, Mian; Guo, Fu-Sheng; Tang, Jinkui; Mansikkamäki, Akseli; Layfield, Richard A.","Fulvalene as a platform for the synthesis of a dimetallic dysprosocenium single-molecule magnet.","Chemical science","2020","11","22","5745","5752","10.1039/d0sc02033h","","x-ray","1.54184","CuKα","","0.0306","0.0266","","","0.0635","0.0655","","","","","","1.024","","","","has coordinates","256040","2020-10-21","18:00:00",""
"1558078","18.1029","0.0005","20.9327","0.0004","19.4229","0.0005","90","","111.812","0.003","90","","6833.2","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H74 B2 Dy2 F20 -","- C70 H74 B2 Dy2 F20 -","- C280 H296 B8 Dy8 F80 -","4","1","","He, Mian; Guo, Fu-Sheng; Tang, Jinkui; Mansikkamäki, Akseli; Layfield, Richard A.","Fulvalene as a platform for the synthesis of a dimetallic dysprosocenium single-molecule magnet.","Chemical science","2020","11","22","5745","5752","10.1039/d0sc02033h","","x-ray","1.54184","CuKα","","0.0759","0.0692","","","0.1706","0.1762","","","","","","1.055","","","","has coordinates,has disorder","256040","2020-10-21","18:00:00",""
"1558079","13.16","0.002","13.956","0.003","23.75","0.005","74.835","0.008","81.559","0.008","65.275","0.007","3820.6","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H128 Ce K N16 P4 -","- C56 H128 Ce K N16 P4 -","- C112 H256 Ce2 K2 N32 P8 -","2","1","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Gompa, Thaige P.; Ramanathan, Arun; Bacsa, John; Batista, Enrique R.; Yang, Ping; La Pierre, Henry S.","Comparison of tetravalent cerium and terbium ions in a conserved, homoleptic imidophosphorane ligand field.","Chemical science","2020","11","24","6149","6159","10.1039/d0sc01414a","","","0.71073","MoKα","","0.0534","0.0465","","","0.1145","0.1195","","","","","","1.046","","","","has coordinates,has disorder","256038","2020-10-21","18:00:00",""
"1558080","13.3726","0.001","13.3726","0.001","21.0511","0.0017","90","","90","","90","","3764.5","0.5","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C56 H128 Ce N16 P4 -","- C56 H128 Ce N16 P4 -","- C112 H256 Ce2 N32 P8 -","2","0.25","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Gompa, Thaige P.; Ramanathan, Arun; Bacsa, John; Batista, Enrique R.; Yang, Ping; La Pierre, Henry S.","Comparison of tetravalent cerium and terbium ions in a conserved, homoleptic imidophosphorane ligand field.","Chemical science","2020","11","24","6149","6159","10.1039/d0sc01414a","","","0.71073","MoKα","","0.0266","0.0263","","","0.0689","0.0692","","","","","","1.048","","","","has coordinates","256038","2020-10-21","18:00:00",""
"1558081","11.76962","0.00015","15.5527","0.0002","14.3675","0.0002","90","","100.026","0.0013","90","","2589.8","0.06","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 Ag2 B2 F8 N10 O4 -","- C50 H46 Ag2 B2 F8 N10 O4 -","- C100 H92 Ag4 B4 F16 N20 O8 -","2","0.5","","Wang, Shi; Bai, Dongya; Wang, Yanbo; Fu, Jiya; Zhu, Junyan; Fang, Xiaomin","Hierarchical self-assembly of helical coordination polymers and formation of a lamellar structure via the cooperativity of two-step Ag(i) coordination and π-π interactions.","Nanoscale","2020","12","20","10972","10976","10.1039/d0nr00299b","","x-ray","1.54184","CuKα","","0.0502","0.0426","","","0.109","0.1169","","","","","","1.069","","","","has coordinates,has disorder","252850","2020-10-21","18:00:00",""
"1558082","14.5788","0.0007","14.6329","0.0007","16.7346","0.0008","90","","96.683","0.003","90","","3545.7","0.3","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 Co N P2 S -","- C38 H50 Co N P2 S -","- C152 H200 Co4 N4 P8 S4 -","4","1","","Foley, Bryan J.; Palit, Chandra Mouli; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Concerted aryl-sulfur reductive elimination from PNP pincer-supported Co(iii) and subsequent Co(i)/Co(iii) comproportionation.","Chemical science","2020","11","23","6075","6084","10.1039/d0sc01813a","","","0.71073","MoKα","","0.0673","0.0408","","","0.086","0.0968","","","","","","1.03","","","","has coordinates","257394","2020-10-21","18:00:00",""
"1558083","15.273","0.002","10.83","0.0014","18.993","0.003","90","","98.062","0.004","90","","3110.5","0.8","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H47 Co N P2 -","- C33 H47 Co N P2 -","- C132 H188 Co4 N4 P8 -","4","1","","Foley, Bryan J.; Palit, Chandra Mouli; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Concerted aryl-sulfur reductive elimination from PNP pincer-supported Co(iii) and subsequent Co(i)/Co(iii) comproportionation.","Chemical science","2020","11","23","6075","6084","10.1039/d0sc01813a","","","0.71073","MoKα","","0.0678","0.0411","","","0.0834","0.0955","","","","","","1.05","","","","has coordinates","257394","2020-10-21","18:00:00",""
"1558084","33.34","0.006","13.858","0.003","14.143","0.003","90","","99.023","0.002","90","","6454","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(PNP)Co(Ph)(OAc)","","","- C34 H48 Co N O2 P2 -","- C34 H48 Co N O2 P2 -","- C272 H384 Co8 N8 O16 P16 -","8","1","","Foley, Bryan J.; Palit, Chandra Mouli; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Concerted aryl-sulfur reductive elimination from PNP pincer-supported Co(iii) and subsequent Co(i)/Co(iii) comproportionation.","Chemical science","2020","11","23","6075","6084","10.1039/d0sc01813a","","","0.71073","MoKα","","0.0377","0.0299","","","0.076","0.0805","","","","","","1.038","","","","has coordinates","257394","2020-10-21","18:00:00",""
"1558085","18.88","0.014","7.915","0.008","30.41","0.06","90","","98.22","0.04","90","","4498","11","170","2","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H48 Cl2 Co2 N4 O12 -","- C45 H48 Cl2 Co2 N4 O12 -","- C180 H192 Cl8 Co8 N16 O48 -","4","0.5","","Chen, Xin-Ran; Zhang, Shuo-Qing; Meyer, Tjark H.; Yang, Chun-Hui; Zhang, Qin-Hao; Liu, Ji-Ren; Xu, Hua-Jian; Cao, Fa-He; Ackermann, Lutz; Hong, Xin","Carboxylate breaks the arene C‒H bond via a hydrogen-atom-transfer mechanism in electrochemical cobalt catalysis","Chemical Science","2020","11","22","5790","5796","10.1039/D0SC01898H","","","0.71073","MoKα","","0.1265","0.1113","","","0.2499","0.2562","","","","","","1.279","","","","has coordinates","257294","2020-10-21","18:00:00",""
"1558086","17.1801","0.0005","17.7175","0.0005","22.9577","0.0007","95.508","0.002","90.634","0.002","106.355","0.002","6669","0.3","173.01","","173.01","","","","","","","","","6","P -1","-P 1","2","","","","- C124 H150 Au13 P3 Pd S7 -","- C124 H150 Au13 P3 Pd S7 -","- C248 H300 Au26 P6 Pd2 S14 -","2","1","","Fu, Xuemei; Lin, Xinzhang; Ren, Xiuqing; Wu, Ren'an; Liu, Chao; Huang, Jiahui","The synthesis and structure of the [PdAu<sub>13</sub>(PPh<sub>3</sub>)<sub>3</sub>(SR)<sub>7</sub>]<sup>+</sup> nanocluster.","Nanoscale","2020","12","22","11825","11829","10.1039/d0nr01356k","","","1.54178","CuKα","","0.1111","0.0818","","","0.2063","0.2372","","","","","","0.992","","","","has coordinates,has disorder","253932","2020-10-21","18:00:00",""
"1558087","7.1989","0.0006","7.2267","0.0007","13.0042","0.0013","90","","90","","90","","676.53","0.11","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H8 N2 O2 -","- C5 H8 N2 O2 -","- C20 H32 N8 O8 -","4","1","","Wang, Yunzhong; Tang, Saixing; Wen, Yating; Zheng, Shuyuan; Yang, Bing; Yuan, Wang Zhang","Nonconventional luminophores with unprecedented efficiencies and color-tunable afterglows","Materials Horizons","2020","7","8","2105","2112","10.1039/D0MH00688B","","","1.54178","CuKα","","0.0386","0.0383","","","0.1041","0.1046","","","","","","1.119","","","","has coordinates","258153","2020-10-21","18:00:00",""
"1558088","9.3446","0.0015","12.244","0.002","7.3458","0.0013","90","","105.194","0.007","90","","811.1","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 H4 N2 O2 -","- C3 H4 N2 O2 -","- C24 H32 N16 O16 -","8","1","","Wang, Yunzhong; Tang, Saixing; Wen, Yating; Zheng, Shuyuan; Yang, Bing; Yuan, Wang Zhang","Nonconventional luminophores with unprecedented efficiencies and color-tunable afterglows","Materials Horizons","2020","7","8","2105","2112","10.1039/D0MH00688B","","","1.54178","CuKα","","0.0561","0.0546","","","0.1652","0.1665","","","","","","1.088","","","","has coordinates","258153","2020-10-21","18:00:00",""
"1558089","5.8982","0.0005","12.4995","0.0011","14.3372","0.001","90","","114.292","0.003","90","","963.42","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N4 O4 -","- C8 H10 N4 O4 -","- C32 H40 N16 O16 -","4","1","","Wang, Yunzhong; Tang, Saixing; Wen, Yating; Zheng, Shuyuan; Yang, Bing; Yuan, Wang Zhang","Nonconventional luminophores with unprecedented efficiencies and color-tunable afterglows","Materials Horizons","2020","7","8","2105","2112","10.1039/D0MH00688B","","","1.54178","CuKα","","0.102","0.0811","","","0.2448","0.2781","","","","","","2.107","","","","has coordinates","258153","2020-10-21","18:00:00",""
"1558090","9.597","0.003","17.769","0.005","11.34","0.004","90","","114.24","0.04","90","","1763.3","1.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 N4 O4 -","- C7 H8 N4 O4 -","- C56 H64 N32 O32 -","8","2","","Wang, Yunzhong; Tang, Saixing; Wen, Yating; Zheng, Shuyuan; Yang, Bing; Yuan, Wang Zhang","Nonconventional luminophores with unprecedented efficiencies and color-tunable afterglows","Materials Horizons","2020","7","8","2105","2112","10.1039/D0MH00688B","","","1.54178","CuKα","","0.0959","0.0922","","","0.3125","0.3149","","","","","","1.051","","","","has coordinates","258153","2020-10-21","18:00:00",""
"1558091","6.3076","0.0004","9.549","0.0006","11.3951","0.0008","90","","90","","90","","686.34","0.08","150","2","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3-Dimethyl-1<i>H</i>-imidazol-3-ium chloride","","- C5 H9 Cl N2 -","- C5 H9 Cl N2 -","- C20 H36 Cl4 N8 -","4","1","BV4030","Anderson, Grace; Mirjafari, Arsalan; Zeller, Matthias; Hillesheim, Patrick C.","2,3-Dimethyl-1<i>H</i>-imidazol-3-ium chloride","IUCrData","2020","5","5","x200660","","10.1107/S2414314620006604","","","0.71073","MoKα","","0.0213","0.0194","","","0.0489","0.0499","","","","","","1.107","","","","has coordinates,has Fobs","252209","2020-10-21","18:00:00",""
"1558092","10.6734","0.0007","13.492","0.0009","10.8926","0.0008","90","","106.158","0.002","90","","1506.63","0.18","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H28 F6 N2 S2 -","- C33 H28 F6 N2 S2 -","- C66 H56 F12 N4 S4 -","2","1","","Yu, Zhang-Long; Cheng, Yong-Feng; Jiang, Na-Chuan; Wang, Jian; Fan, Li-Wen; Yuan, Yue; Li, Zhong-Liang; Gu, Qiang-Shuai; Liu, Xin-Yuan","Desymmetrization of unactivated bis-alkenes via chiral Brønsted acid-catalysed hydroamination","Chemical Science","2020","11","23","5987","5993","10.1039/D0SC00001A","","x-ray","0.71073","MoKα","","0.0307","0.0276","","","0.0664","0.0679","","","","","","1.06","","","","has coordinates","257396","2020-10-21","18:00:00",""
"1558093","27.3782","0.0016","16.4038","0.0006","8.0743","0.0004","90","","96.106","0.005","90","","3605.6","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H44 N2 O4 -","- C45 H44 N2 O4 -","- C180 H176 N8 O16 -","4","1","","Samanta, Samaresh; Ray, Subir Kumar; Deolka, Shubham; Saha, Sudipta; K R, Pradeep; Bhowal, Rohit; Ghosh, Nirmalya; Chaudhuri, Debangshu","Safeguarding long-lived excitons from excimer traps in H-aggregated dye-assemblies.","Chemical science","2020","11","22","5710","5715","10.1039/d0sc01784a","","x-ray","1.54184","CuKα","","0.1536","0.0831","","","0.2492","0.3254","","","","","","1.01","","","","has coordinates","256039","2020-10-21","18:00:00",""
"1558094","11.2545","0.001","18.0672","0.0018","20.425","0.002","114.844","0.003","101.984","0.003","90.435","0.003","3665.6","0.6","200","2","200","","","","","","","","","4","P -1","-P 1","2","","Spiro-CN-OMeTAD","","- C92 H76 N6 O8 -","- C92 H76 N6 O8 -","- C184 H152 N12 O16 -","2","1","","Xu, Jianbin; Liang, Lusheng; Mai, Chi-Lun; Zhang, Zilong; Zhou, Qin; Xiong, Qiu; Zhang, Zhuangzhuang; Deng, Longhui; Gao, Peng","Lewis-base containing spiro type hole transporting materials for high-performance perovskite solar cells with efficiency approaching 20.","Nanoscale","2020","12","24","13157","13164","10.1039/d0nr01961e","","","0.71073","MoKα","","0.2339","0.0982","","","0.248","0.3236","","","","","","1.031","","","","has coordinates","253929","2020-10-21","18:00:00",""
"1558095","27.1669","0.0007","18.3273","0.0004","13.8912","0.0002","90","","90","","90","","6916.4","0.3","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","[(tBuC?CAg)2(Ag4SiW12O40)(DMSO)6]","[(tBuC?CAg)2(Ag4SiW12O40)(DMSO)6]","","- C24 H54 Ag6 O46 S6 Si W12 -","- C24 H54 Ag6 O46 S6 Si W12 -","- C96 H216 Ag24 O184 S24 Si4 W48 -","4","1","","Hu, Ting; Hu, Chunli; Li, Yuhang; Meng, Lingyi; Xie, Yiming; Liao, Mingyue; Zhong, Guiming; Lu, Can-Zhong","Synthesis and characterization of a nanocluster-based silver(i) tert-butylethynide compound with a large second-harmonic generation response.","Nanoscale","2020","12","22","11847","11857","10.1039/d0nr03364b","","","0.71073","MoKα","","0.0452","0.0359","","","0.0716","0.0761","","","","","","1.048","","","","has coordinates","253931","2020-10-21","18:00:00",""
"1558097","7.8139","0.0002","9.9797","0.0002","21.6351","0.0007","87.227","0.002","84.36","0.002","86.871","0.002","1674.87","0.08","99.9","0.8","99.9","0.8","","","","","","","","4","P -1","-P 1","2","","","","- C45 H31 N5 S -","- C45 H31 N5 S -","- C90 H62 N10 S2 -","2","1","","Luo, Qing; Li, Lin; Ma, Huili; Lv, Chunyan; Jiang, Xueyan; Gu, Xinggui; An, Zhongfu; Zou, Bo; Zhang, Cheng; Zhang, Yujian","Deep-red fluorescence from isolated dimers: a highly bright excimer and imaging in vivo","Chemical Science","2020","11","23","6020","6025","10.1039/D0SC01873B","","x-ray","1.54184","CuKα","","0.0764","0.0713","","","0.1857","0.1886","","","","","","1.125","","","","has coordinates","257397","2020-10-21","18:00:00",""
"1558098","13.7131","0.0002","15.2042","0.0002","25.3794","0.0003","74.859","0.001","78.818","0.001","65.926","0.001","4640.57","0.11","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C76 H144 Co2 K2 N4 O15 P8 -","- C76 H145 Co2 K2 N4 O15 P8 -","- C152 H290 Co4 K4 N8 O30 P16 -","2","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","1.54184","CuKα","","0.0344","0.0311","","","0.0773","0.0794","","","","","","1.022","","","","has coordinates","257311","2020-10-21","18:00:00",""
"1558099","17.8715","0.0003","22.5218","0.0004","24.946","0.0005","90","","90","","90","","10040.7","0.3","123","1","123","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H82 Co Li N2 O7 P4 -","- C43 H82 Co Li N2 O7 P4 -","- C344 H656 Co8 Li8 N16 O56 P32 -","8","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","1.54184","CuKα","","0.0503","0.0459","","","0.1223","0.1273","","","","","","1.066","","","","has coordinates","257311","2020-10-21","18:00:00",""
"1558100","31.947","0.003","15.571","0.0012","12.6636","0.001","90","","91.67","0.008","90","","6296.8","0.9","123","1","123","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53.5 H99 Co2 Li O3.25 P8 -","- C53.5 H99 Co2 Li O3.25 P8 -","- C214 H396 Co8 Li4 O13 P32 -","4","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","0.71073","MoKα","","0.1377","0.0745","","","0.1727","0.1886","","","","","","0.876","","","","has coordinates,has disorder","257311","2020-10-21","18:00:00",""
"1558101","8.8103","0.0003","10.6602","0.0003","17.7138","0.0005","78.926","0.002","89.741","0.002","85.158","0.002","1626.75","0.09","123","0.2","123","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H50 Co Na O5 P4 -","- C25 H50 Co Na O5 P4 -","- C50 H100 Co2 Na2 O10 P8 -","2","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","1.54184","CuKα","","0.0441","0.0432","","","0.1169","0.1183","","","","","","1.037","","","","has coordinates","257311","2020-10-21","18:00:00",""
"1558102","14.474","0.0007","18.2968","0.0004","19.7326","0.0006","87.037","0.002","77.66","0.004","86.306","0.003","5090.5","0.3","123","1","123","1","","","","","","","","7","P -1","-P 1","2","","","","- C80 H156 Co2 Li2 O17.5 P8 Si2 -","- C80 H156 Co2 Li2 O17.5 P8 Si2 -","- C160 H312 Co4 Li4 O35 P16 Si4 -","2","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","0.71073","MoKα","","0.0967","0.0526","","","0.1051","0.1123","","","","","","0.908","","","","has coordinates,has disorder","257311","2020-10-21","18:00:00",""
"1558103","14.2675","0.0003","15.0423","0.0004","18.2337","0.0005","102.047","0.002","94.044","0.002","114.602","0.002","3424.69","0.17","123.01","0.1","123.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C53 H106 Co2 Li O6 P8 Si -","- C53 H106 Co2 Li O6 P8 Si -","- C106 H212 Co4 Li2 O12 P16 Si2 -","2","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","1.54184","CuKα","","0.0608","0.0494","","","0.1219","0.1321","","","","","","1.018","","","","has coordinates","257311","2020-10-21","18:00:00",""
"1558104","10.047","0.0009","11.0487","0.0007","24.242","0.0014","90","","90","","90","","2691","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 O5 -","- C29 H38 O5 -","- C116 H152 O20 -","4","1","","Li, Xin; He, Songtao; Song, Qiuling","Enantio- and diastereoselective diarylmethylation of 1,3-dicarbonyl compounds","Chemical Science","2020","11","23","5969","5973","10.1039/D0SC00142B","","x-ray","0.71073","MoKα","","0.1185","0.0652","","","0.1506","0.1814","","","","","","1.027","","","","has coordinates","257395","2020-10-21","18:00:00",""
"1558105","10.4833","0.0019","14.435","0.002","21.245","0.004","90","","90","","90","","3214.9","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 N O7 -","- C33 H37 N O7 -","- C132 H148 N4 O28 -","4","1","","Li, Xin; He, Songtao; Song, Qiuling","Enantio- and diastereoselective diarylmethylation of 1,3-dicarbonyl compounds","Chemical Science","2020","11","23","5969","5973","10.1039/D0SC00142B","","","0.71073","MoKα","","0.2473","0.0864","","","0.1593","0.2271","","","","","","1.032","","","","has coordinates","257395","2020-10-21","18:00:00",""
"1558106","23.808","0.004","10.36","0.003","11.8065","0.0017","90","","95.046","0.015","90","","2900.8","1.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C31 H39 O4 S -","- C31 H35 O4 S -","- C124 H140 O16 S4 -","4","1","","Li, Xin; He, Songtao; Song, Qiuling","Enantio- and diastereoselective diarylmethylation of 1,3-dicarbonyl compounds","Chemical Science","2020","11","23","5969","5973","10.1039/D0SC00142B","","x-ray","0.71073","MoKα","","0.1964","0.1019","","","0.2143","0.267","","","","","","0.992","","","","has coordinates","257395","2020-10-21","18:00:00",""
"1558113","9.756","0.0017","10.186","0.002","12.84","0.003","98.371","0.007","106.552","0.006","90.234","0.006","1208.7","0.4","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H20.8 Gd2 N2 O19.4 P6 -","- C6 H18 Gd2 N2 O19.4 P6 -","- C12 H36 Gd4 N4 O38.8 P12 -","2","1","","Mendes, Ricardo F.; Barbosa, Paula; Domingues, Eddy M.; Silva, Patrícia; Figueiredo, Filipe; Almeida Paz, Filipe A.","Enhanced proton conductivity in a layered coordination polymer.","Chemical science","2020","11","24","6305","6311","10.1039/d0sc01762k","","","0.71073","MoKα","","0.1526","0.1075","","","0.2641","0.2833","","","","","","1.154","","","","has coordinates","256036","2020-10-21","18:00:00",""
"1558114","20.0922","0.0013","11.4805","0.0006","18.359","0.0011","90","","120.155","0.003","90","","3661.7","0.4","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C35 H59 N2 P Si2 U -","- C35 H59 N2 P Si2 U -","- C140 H236 N8 P4 Si8 U4 -","4","1","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Divergent uranium- versus phosphorus-based reduction of Me3SiN3 with steric modification of phosphido ligands","Chemical Science","2020","11","22","5830","5835","10.1039/D0SC02261F","","","0.71073","MoKα","","0.0275","0.0224","","","0.0392","0.0404","","","","","","0.996","","","","has coordinates","257295","2020-10-21","18:00:00",""
"1558115","9.8231","0.0011","11.2078","0.0013","19.039","0.003","82.061","0.004","76.9","0.006","65.055","0.004","1849","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","Bis(pentamethylcyclopentadienyl)-P-trimethylsilyl-P-methylphosphimido-trimethylsilylimidouranium(VI)","","- C35 H58 N2 P Si2 U -","- C35 H58 N2 P Si2 U -","- C70 H116 N4 P2 Si4 U2 -","2","1","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Divergent uranium- versus phosphorus-based reduction of Me3SiN3 with steric modification of phosphido ligands","Chemical Science","2020","11","22","5830","5835","10.1039/D0SC02261F","","","0.71073","MoKα","","0.0769","0.0715","","","0.2212","0.2235","","","","","","1.238","","","","has coordinates","257295","2020-10-21","18:00:00",""
"1558116","10.6409","0.0006","16.5027","0.0009","20.4856","0.0011","85.363","0.002","89.696","0.002","85.317","0.002","3573.6","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H56 N P Si2 U -","- C33 H56 N P Si2 U -","- C132 H224 N4 P4 Si8 U4 -","4","2","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Divergent uranium- versus phosphorus-based reduction of Me3SiN3 with steric modification of phosphido ligands","Chemical Science","2020","11","22","5830","5835","10.1039/D0SC02261F","","","0.71073","MoKα","","0.0671","0.0391","","","0.0667","0.0736","","","","","","1","","","","has coordinates","257295","2020-10-21","18:00:00",""
"1558117","11.3618","0.0009","12.1577","0.001","18.2103","0.0014","98.637","0.003","99.864","0.003","113.651","0.003","2202.3","0.3","123","2","123.01","","","","","","","","","7","P -1","-P 1","2","","","","- C73 H70 Cl2 Fe2 N8 O12 S12 -","- C73 H70 Cl2 Fe2 N8 O12 S12 -","- C73 H70 Cl2 Fe2 N8 O12 S12 -","1","0.5","","Qiu, Ya-Ru; Cui, Long; Cai, Pei-Yu; Yu, Fei; Kurmoo, Mohamedally; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin","Enhanced dielectricity coupled to spin-crossover in a one-dimensional polymer iron(ii) incorporating tetrathiafulvalene.","Chemical science","2020","11","24","6229","6235","10.1039/d0sc02388d","","","1.34139","GaKα","","0.1106","0.0654","","","0.169","0.1932","","","","","","1.043","","","","has coordinates,has disorder","257285","2020-10-21","18:00:00",""
"1558118","11.36","0.011","12.085","0.01","16.842","0.014","91.22","0.02","109.72","0.02","111.47","0.02","1998","3","350","2","350","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Fe N4 O6 S6 -","- C36 H34 Fe N4 O6 S6 -","- C72 H68 Fe2 N8 O12 S12 -","2","1","","Qiu, Ya-Ru; Cui, Long; Cai, Pei-Yu; Yu, Fei; Kurmoo, Mohamedally; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin","Enhanced dielectricity coupled to spin-crossover in a one-dimensional polymer iron(ii) incorporating tetrathiafulvalene.","Chemical science","2020","11","24","6229","6235","10.1039/d0sc02388d","","","0.71073","MoKα","","0.2822","0.129","","","0.2426","0.3013","","","","","","1.092","","","","has coordinates","257285","2020-10-21","18:00:00",""
"1558119","4.795","0.0015","25.807","0.008","26.902","0.008","90","","91.827","0.006","90","","3327.3","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N3 O6 S6 -","- C28 H31 N3 O6 S6 -","- C112 H124 N12 O24 S24 -","4","1","","Qiu, Ya-Ru; Cui, Long; Cai, Pei-Yu; Yu, Fei; Kurmoo, Mohamedally; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin","Enhanced dielectricity coupled to spin-crossover in a one-dimensional polymer iron(ii) incorporating tetrathiafulvalene.","Chemical science","2020","11","24","6229","6235","10.1039/d0sc02388d","","","0.71073","MoKα","","0.1152","0.0621","","","0.1391","0.1608","","","","","","1.029","","","","has coordinates","257285","2020-10-21","18:00:00",""
"1558120","7.9871","0.0004","15.6608","0.0008","19.341","0.0011","74.494","0.005","87.66","0.004","76.49","0.004","2266.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H31 B F2 N2 O -","- C25 H31 B F2 N2 O -","- C100 H124 B4 F8 N8 O4 -","4","2","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","","1.54184","CuKα","","0.071","0.0477","","","0.123","0.1369","","","","","","1.032","","","","has coordinates","256037","2020-10-21","18:00:00",""
"1558121","13.7964","0.0007","14.4462","0.0006","14.8908","0.0007","103.965","0.004","99.568","0.004","104.025","0.004","2713.5","0.2","172","4","172","4","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 F6 N2 O4 S4 -","- C24 H22 F6 N2 O4 S4 -","- C96 H88 F24 N8 O16 S16 -","4","2","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","x-ray","1.54184","CuKα","","0.0673","0.0493","","","0.1364","0.1511","","","","","","1.04","","","","has coordinates,has disorder","256037","2020-10-21","18:00:00",""
"1558122","7.9187","0.0004","12.1261","0.0007","13.0689","0.0006","82.67","0.004","78.619","0.004","79.315","0.005","1203.5","0.11","173.05","0.1","173.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 Cl2 I N2 S2 -","- C22 H23 Cl2 I N2 S2 -","- C44 H46 Cl4 I2 N4 S4 -","2","1","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","x-ray","0.71073","MoKα","","0.0399","0.0329","","","0.0738","0.0785","","","","","","1.048","","","","has coordinates","256037","2020-10-21","18:00:00",""
"1558123","17.7575","0.0009","19.0198","0.0008","15.2682","0.0007","90","","114.649","0.006","90","","4686.9","0.4","173","0.14","173","0.14","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 B0.43 F1.72 I0.57 N2 S2 -","- C21 H21 B0.4296 F1.7184 I0.5704 N2 S2 -","- C168 H168 B3.4368 F13.7472 I4.5632 N16 S16 -","8","1","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","x-ray","0.71073","MoKα","","0.061","0.0369","","","0.0743","0.0832","","","","","","1.008","","","","has coordinates,has disorder","256037","2020-10-21","18:00:00",""
"1558124","13.3057","0.0004","12.066","0.0004","14.7108","0.0005","90","","108.185","0.004","90","","2243.81","0.14","173","0.14","173","0.14","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 F3 N2 O3 S3 -","- C22 H21 F3 N2 O3 S3 -","- C88 H84 F12 N8 O12 S12 -","4","1","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","x-ray","0.71073","MoKα","","0.0526","0.0369","","","0.0772","0.0845","","","","","","1.028","","","","has coordinates","256037","2020-10-21","18:00:00",""
"1558125","14.7979","0.0002","21.9313","0.0003","18.008","0.0003","90","","112.854","0.002","90","","5385.48","0.16","173","0.14","173","0.14","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C23 H21 F6 N3 O4 S4 -","- C23 H21 F6 N3 O4 S4 -","- C184 H168 F48 N24 O32 S32 -","8","1","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","x-ray","1.54184","CuKα","","0.0807","0.0686","","","0.1802","0.1933","","","","","","1.048","","","","has coordinates","256037","2020-10-21","18:00:00",""
"1558126","17.6864","0.0008","18.688","0.0008","15.795","0.0008","90","","114.792","0.006","90","","4739.5","0.4","172.95","0.1","172.95","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 F6 N2 P S2 -","- C21 H21 F6 N2 P S2 -","- C168 H168 F48 N16 P8 S16 -","8","1","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","x-ray","0.71073","MoKα","","0.0782","0.066","","","0.1906","0.2032","","","","","","1.042","","","","has coordinates,has disorder","256037","2020-10-21","18:00:00",""
"1558127","10.7051","0.0008","10.9218","0.0009","12.9779","0.0004","81.166","0.006","67.584","0.006","72.381","0.007","1335.66","0.17","197","130","197","130","","","","","","","","4","P -1","-P 1","2","","","","- C33 H37 N O -","- C33 H37 N O -","- C66 H74 N2 O2 -","2","1","","Shankar, Majji; Rit, Raja K.; Sau, Somratan; Mukherjee, Kallol; Gandon, Vincent; Sahoo, Akhila K.","Double annulation of ortho- and peri-C‒H bonds of fused (hetero)arenes to unusual oxepino-pyridines","Chemical Science","2020","11","39","10770","10777","10.1039/D0SC01373K","","x-ray","0.71073","MoKα","","0.1239","0.0841","","","0.2515","0.2861","","","","","","1.128","","","","has coordinates","258780","2020-11-06","11:31:00",""
"1558128","14.5781","0.0004","9.3138","0.0003","18.8307","0.0006","90","","94.961","0.003","90","","2547.21","0.14","295.5","0.4","295.5","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28.48 H23 Cl N O2 -","- C28 H23 Cl N O2 -","- C112 H92 Cl4 N4 O8 -","4","1","","Shankar, Majji; Rit, Raja K.; Sau, Somratan; Mukherjee, Kallol; Gandon, Vincent; Sahoo, Akhila K.","Double annulation of ortho- and peri-C‒H bonds of fused (hetero)arenes to unusual oxepino-pyridines","Chemical Science","2020","11","39","10770","10777","10.1039/D0SC01373K","","x-ray","0.71073","MoKα","","0.13","0.0863","","","0.2665","0.3098","","","","","","1.112","","","","has coordinates","258780","2020-11-06","11:31:01",""
"1558129","15.001","0.003","10.5247","0.0015","22.239","0.004","90","","94.419","0.008","90","","3500.7","1.1","223","2","223.12","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H45 N O -","- C41 H45 N O -","- C164 H180 N4 O4 -","4","1","","Shankar, Majji; Rit, Raja K.; Sau, Somratan; Mukherjee, Kallol; Gandon, Vincent; Sahoo, Akhila K.","Double annulation of ortho- and peri-C‒H bonds of fused (hetero)arenes to unusual oxepino-pyridines","Chemical Science","2020","11","39","10770","10777","10.1039/D0SC01373K","","","0.71073","MoKα","","0.169","0.0893","","","0.217","0.2635","","","","","","1.027","","","","has coordinates","258780","2020-11-06","11:31:01",""
"1558130","17.7447","0.0017","12.5982","0.0012","9.2934","0.0008","90","","114.702","0.004","90","","1887.4","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","catnea-[bis(?-terephthalato)uranium tetrahydrate]","","- C16 H8 O12 U -","- C16 H8 O12 U -","- C64 H32 O48 U4 -","4","0.5","","Halter, Dominik P.; Klein, Ryan A.; Boreen, Michael; Trump, Benjamin A.; Brown, Craig M.; Long, Jeffrey R.","Self-Adjusting Binding Pockets Enhance H2 and CH4 Adsorption in a Uranium-Based Metal‒Organic Framework","Chemical Science","2020","","","","","10.1039/D0SC02394A","","","0.7288","synchrotron","","0.0667","0.0531","","","0.1493","0.1605","","","","","","1.087","","","","has coordinates,has disorder","252418","2020-10-21","18:00:00",""
"1558131","26.429","0.002","26.429","0.002","7.867","0.0007","90","","90","","90","","5495","0.8","110","","110","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C28 H24 Cl N2 O5 -","- C28 H24 Cl N2 O5 -","- C224 H192 Cl8 N16 O40 -","8","1","","Duan, Wen-Di; Zhang, Yu-Fang; Hu, Youhong","NaH Promoted One-Pot Tandem Reactions of 3-(1-Alkynyl) Chromones to Form 2-Nitrogen-Substituted Xanthones","ACS Omega","2020","5","22","13454","13461","10.1021/acsomega.0c01930","","","0.71073","MoKα","","0.1561","0.0746","","","0.1877","0.2393","","","","","","1.048","","","","has coordinates","282777","2023-04-20","11:56:52",""
"1558132","22.7581","0.0006","7.6989","0.0002","23.0256","0.0006","90","","113.649","0.003","90","","3695.56","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cl N O4 -","- C20 H24 Cl N O4 -","- C160 H192 Cl8 N8 O32 -","8","2","","Xu, Beibei; Jiang, Xunjin; Xiong, Jing; Lan, Jun; Tian, Yuan; Zhong, Linhai; Wang, Xinquan; Xu, Ning; Cao, Hanwei; Zhang, Wenqing; Zhang, Hao; Hong, Xiaoting; Zhan, Yan-Yan; Zhang, Yandong; Hu, Tianhui","Structure-Activity Relationship Study Enables the Discovery of a Novel Berberine Analogue as RXRα Activator to Inhibit Colon Cancer.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.0c00088","","x-ray","1.54184","CuKα","","0.1345","0.1301","","","0.3442","0.3462","","","","","","1.098","","","","has coordinates","252444","2020-10-21","18:00:00",""
"1558133","6.703","0.0005","8.4049","0.0006","17.5344","0.0014","90","","98.188","0.003","90","","977.78","0.13","230","2","230","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 N0 O5 S -","- C20 H26 O5 S -","- C40 H52 O10 S2 -","2","1","","Zhao, Zhifei; Bagdi, Prasanta Ray; Yang, Shuang; Liu, Jinggong; Cotman, Andrej Emanuel; Xu, Weici; Fang, Xinqiang","Correction to Stereodivergent Access to Enantioenriched Epoxy Alcohols with Three Stereogenic Centers via Ruthenium-Catalyzed Transfer Hydrogenation","Organic Letters","2020","","","","","10.1021/acs.orglett.0c01610","","","0.71073","MoKα","","0.0466","0.041","","","0.1159","0.1218","","","","","","1.002","","","","has coordinates","252449","2020-10-21","18:00:00",""
"1558134","5.5579","0.0002","7.7831","0.0002","25.2947","0.0007","90","","90","","90","","1094.19","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","1","","Zhao, Zhifei; Bagdi, Prasanta Ray; Yang, Shuang; Liu, Jinggong; Cotman, Andrej Emanuel; Xu, Weici; Fang, Xinqiang","Correction to Stereodivergent Access to Enantioenriched Epoxy Alcohols with Three Stereogenic Centers via Ruthenium-Catalyzed Transfer Hydrogenation","Organic Letters","2020","","","","","10.1021/acs.orglett.0c01610","","","1.54184","CuKα","","0.0322","0.0312","","","0.0801","0.081","","","","","","1.072","","","","has coordinates","252450","2020-10-21","18:00:00",""
"1558135","9.682","0.002","18.886","0.006","24.789","0.007","90","","99.902","0.011","90","","4465","2","120","1","120","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H32 Cl Cu N7 O4 -","- C18 H32 Cl Cu N7 O4 -","- C144 H256 Cl8 Cu8 N56 O32 -","8","2","","Martínez-Camarena, Álvaro; Sánchez-Murcia, Pedro A; Blasco, Salvador; González, Leticia; García-España, Enrique","Unveiling the reaction mechanism of novel copper N-alkylated tetra-azacyclophanes with outstanding superoxide dismutase activity.","Chemical communications (Cambridge, England)","2020","56","54","7511","7514","10.1039/d0cc01926g","","","0.71073","MoKα","","0.0349","0.0275","","","0.061","0.0648","","","","","","1.034","","","","has coordinates","254913","2020-10-21","18:00:00",""
"1558136","12.4358","0.0009","18.8623","0.0014","15.7372","0.0011","90","","89.999","0.002","90","","3691.4","0.5","100","2","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 Au F6 Fe N2 O5 Sb -","- C32 H38 Au F6 Fe N2 O5 Sb -","- C128 H152 Au4 F24 Fe4 N8 O20 Sb4 -","4","1","","Ponduru, Tharun Teja; Wang, Guocang; Manoj, Sai; Pan, Sudip; Zhao, Lili; Frenking, Gernot; Dias, H. V. Rasika","Synthesis and characterization of heterometallic complexes involving coinage metals and isoelectronic Fe(CO)<sub>5</sub>, [Mn(CO)<sub>5</sub>]<sup>-</sup> and [Fe(CO)<sub>4</sub>CN]<sup>-</sup> ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8566","8581","10.1039/d0dt01590c","","","0.71073","MoKα","","0.0182","0.0173","","","0.0392","0.0394","","","","","","1.029","","","","has coordinates","253894","2020-10-21","18:00:00",""
"1558137","14.2376","0.0009","15.3986","0.001","14.8972","0.0009","90","","98.783","0.002","90","","3227.8","0.4","100","2","100.01","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 Au F6 Fe N O5 Sb -","- C27 H35 Au F6 Fe N O5 Sb -","- C108 H140 Au4 F24 Fe4 N4 O20 Sb4 -","4","1","","Ponduru, Tharun Teja; Wang, Guocang; Manoj, Sai; Pan, Sudip; Zhao, Lili; Frenking, Gernot; Dias, H. V. Rasika","Synthesis and characterization of heterometallic complexes involving coinage metals and isoelectronic Fe(CO)<sub>5</sub>, [Mn(CO)<sub>5</sub>]<sup>-</sup> and [Fe(CO)<sub>4</sub>CN]<sup>-</sup> ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8566","8581","10.1039/d0dt01590c","","","0.71073","MoKα","","0.0626","0.0358","","","0.0534","0.0594","","","","","","1.019","","","","has coordinates","253894","2020-10-21","18:00:00",""
"1558138","8.6463","0.0005","19.4473","0.0012","21.4257","0.0013","90","","90","","90","","3602.7","0.4","100","2","100.01","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C36 H46 Au Mn N2 O6 -","- C36 H46 Au Mn N2 O6 -","- C144 H184 Au4 Mn4 N8 O24 -","4","0.5","","Ponduru, Tharun Teja; Wang, Guocang; Manoj, Sai; Pan, Sudip; Zhao, Lili; Frenking, Gernot; Dias, H. V. Rasika","Synthesis and characterization of heterometallic complexes involving coinage metals and isoelectronic Fe(CO)<sub>5</sub>, [Mn(CO)<sub>5</sub>]<sup>-</sup> and [Fe(CO)<sub>4</sub>CN]<sup>-</sup> ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8566","8581","10.1039/d0dt01590c","","","0.71073","MoKα","","0.0248","0.0196","","","0.0375","0.0388","","","","","","1.034","","","","has coordinates,has disorder","253894","2020-10-21","18:00:00",""
"1558139","10.8061","0.0008","11.9033","0.0009","13.6638","0.001","82.628","0.002","78.028","0.002","64.197","0.002","1546.5","0.2","100","2","99.94","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H33 Au Mn O5 P -","- C32 H33 Au Mn O5 P -","- C64 H66 Au2 Mn2 O10 P2 -","2","1","","Ponduru, Tharun Teja; Wang, Guocang; Manoj, Sai; Pan, Sudip; Zhao, Lili; Frenking, Gernot; Dias, H. V. Rasika","Synthesis and characterization of heterometallic complexes involving coinage metals and isoelectronic Fe(CO)<sub>5</sub>, [Mn(CO)<sub>5</sub>]<sup>-</sup> and [Fe(CO)<sub>4</sub>CN]<sup>-</sup> ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8566","8581","10.1039/d0dt01590c","","","0.71073","MoKα","","0.0191","0.0177","","","0.0433","0.0438","","","","","","1.041","","","","has coordinates","253894","2020-10-21","18:00:00",""
"1558140","8.6971","0.0006","19.4845","0.0013","21.3902","0.0014","90","","90","","90","","3624.8","0.4","100","2","100","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C36 H46 Ag Mn N2 O6 -","- C36 H46 Ag Mn N2 O6 -","- C144 H184 Ag4 Mn4 N8 O24 -","4","0.5","","Ponduru, Tharun Teja; Wang, Guocang; Manoj, Sai; Pan, Sudip; Zhao, Lili; Frenking, Gernot; Dias, H. V. Rasika","Synthesis and characterization of heterometallic complexes involving coinage metals and isoelectronic Fe(CO)<sub>5</sub>, [Mn(CO)<sub>5</sub>]<sup>-</sup> and [Fe(CO)<sub>4</sub>CN]<sup>-</sup> ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8566","8581","10.1039/d0dt01590c","","","0.71073","MoKα","","0.0284","0.0239","","","0.059","0.0613","","","","","","1.053","","","","has coordinates,has disorder","253894","2020-10-21","18:00:00",""
"1558141","11.1739","0.0007","18.4203","0.0011","18.3635","0.0011","90","","106.685","0.002","90","","3620.6","0.4","100","2","99.99","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H40 Cl2 Cu Fe N3 O4 -","- C33 H40 Cl2 Cu Fe N3 O4 -","- C132 H160 Cl8 Cu4 Fe4 N12 O16 -","4","1","","Ponduru, Tharun Teja; Wang, Guocang; Manoj, Sai; Pan, Sudip; Zhao, Lili; Frenking, Gernot; Dias, H. V. Rasika","Synthesis and characterization of heterometallic complexes involving coinage metals and isoelectronic Fe(CO)<sub>5</sub>, [Mn(CO)<sub>5</sub>]<sup>-</sup> and [Fe(CO)<sub>4</sub>CN]<sup>-</sup> ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8566","8581","10.1039/d0dt01590c","","","0.71073","MoKα","","0.0366","0.0324","","","0.0856","0.0885","","","","","","1.036","","","","has coordinates","253894","2020-10-21","18:00:00",""
"1558142","20.552","0.0007","11.9252","0.0004","21.1347","0.0007","90","","112.708","0.002","90","","4778.3","0.3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H75 N2 O2 U -","- C53 H75 N2 O2 U -","- C212 H300 N8 O8 U4 -","4","1","","Boreen, Michael A.; Gould, Colin A.; Booth, Corwin H.; Hohloch, Stephan; Arnold, John","Structure and magnetism of a tetrahedral uranium(iii) β-diketiminate complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7938","7944","10.1039/d0dt01599g","","","0.71073","MoKα","","0.0427","0.0298","","","0.0632","0.0687","","","","","","1.033","","","","has coordinates","253923","2020-10-21","18:00:00",""
"1558143","12.2023","0.0003","16.5876","0.0006","22.5734","0.0008","75.346","0.001","80.632","0.001","69.918","0.001","4137.1","0.2","100","2","100.02","","","","","","","","","6","P -1","-P 1","2","","","","- C85 H123 I2 N4 O2 U2 -","- C85 H123 I2 N4 O2 U2 -","- C170 H246 I4 N8 O4 U4 -","2","1","","Boreen, Michael A.; Gould, Colin A.; Booth, Corwin H.; Hohloch, Stephan; Arnold, John","Structure and magnetism of a tetrahedral uranium(iii) β-diketiminate complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7938","7944","10.1039/d0dt01599g","","","0.71073","MoKα","","0.0791","0.0577","","","0.1312","0.1411","","","","","","1.019","","","","has coordinates","253923","2020-10-21","18:00:00",""
"1558144","14.9291","0.0005","10.5173","0.0003","14.418","0.0004","90","","111.081","0.001","90","","2112.31","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DrSaad_PhMono_15_04_17","","","- C23 H17 Cl N2 O3 -","- C23 H17 Cl N2 O3 -","- C92 H68 Cl4 N8 O12 -","4","1","","Husain, Ali; Ganesan, Asaithampi; Machacek, Miloslav; Cerveny, Lukas; Kubat, Pavel; Ghazal, Basma; Zimcik, Petr; Makhseed, Saad","Dually directional glycosylated phthalocyanines as extracellular red-emitting fluorescent probes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9605","9617","10.1039/d0dt01180k","","","1.54178","CuKα","","0.0562","0.0478","","","0.1409","0.16","","","","","","0.857","","","","has coordinates","254968","2020-10-21","18:00:00",""
"1558145","8.4034","0.0009","10.6002","0.0011","12.8112","0.0014","65.879","0.005","83.922","0.006","82.056","0.006","1030","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H36 N4 O6 -","- C46 H36 N4 O6 -","- C46 H36 N4 O6 -","1","0.5","","Husain, Ali; Ganesan, Asaithampi; Machacek, Miloslav; Cerveny, Lukas; Kubat, Pavel; Ghazal, Basma; Zimcik, Petr; Makhseed, Saad","Dually directional glycosylated phthalocyanines as extracellular red-emitting fluorescent probes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9605","9617","10.1039/d0dt01180k","","","0.71075","MoKα","","0.1472","0.1059","","","0.3056","0.3483","","","","","","1.238","","","","has coordinates,has disorder","254968","2020-10-21","18:00:00",""
"1558146","10.4756","0.0007","11.1851","0.0008","11.4936","0.0008","101.408","0.007","107.744","0.008","117.153","0.009","1047.2","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 N2 O3 -","- C23 H18 N2 O3 -","- C46 H36 N4 O6 -","2","1","","Husain, Ali; Ganesan, Asaithampi; Machacek, Miloslav; Cerveny, Lukas; Kubat, Pavel; Ghazal, Basma; Zimcik, Petr; Makhseed, Saad","Dually directional glycosylated phthalocyanines as extracellular red-emitting fluorescent probes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9605","9617","10.1039/d0dt01180k","","","0.71075","MoKα","","","0.0457","","","","0.1759","","","","","","1.136","","","","has coordinates","254968","2020-10-21","18:00:00",""
"1558147","11.1251","0.0014","7.5242","0.0007","11.194","0.0012","90","","115.098","0.015","90","","848.55","0.19","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N3 S -","- C8 H7 N3 S -","- C32 H28 N12 S4 -","4","1","","Manna, Amit Kumar; Chowdhury, Shubhamoy; Patra, Goutam K.","Combined experimental and theoretical studies on a phenyl thiadiazole-based novel turn-on fluorescent colorimetric Schiff base chemosensor for the selective and sensitive detection of Al3+","New Journal of Chemistry","2020","44","26","10819","10832","10.1039/D0NJ01954B","","","0.71073","MoKα","","0.0548","0.0385","","","0.0982","0.1084","","","","","","1.0017","","","","has coordinates","257716","2020-10-21","18:00:00",""
"1558148","8.3643","0.0004","9.9485","0.0004","17.7102","0.0008","90","","90","","90","","1473.71","0.11","296","2","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C64 H104 O12 -","4","1","","Lydon, Christina A.; Mathivathanan, Logesh; Sanchez, Juanita; Dos Santos, Larissa A. H.; Sauvage, Thomas; Gunasekera, Sarath P.; Paul, Valerie J.; Berry, John P.","Eudesmacarbonate, a Eudesmane-Type Sesquiterpene from a Marine Filamentous Cyanobacterial Mat (Oscillatoriales) in the Florida Keys.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00203","","","0.71073","MoKα","","0.0634","0.044","","","0.0854","0.0925","","","","","","1.049","","","","has coordinates","252458","2020-10-21","18:00:00",""
"1558149","20.1441","0.0007","12.2778","0.0004","11.4937","0.0004","90","","92.993","0.001","90","","2838.8","0.17","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Co N2 O10 S2 -","- C28 H24 Co N2 O10 S2 -","- C112 H96 Co4 N8 O40 S8 -","4","0.5","","Yang, Chun; Cai, Wen-Jing; Yu, Bin-Bin; Qiu, Hong; Li, Meng-Li; Zhu, Lian-Wen; Yan, Zheng; Hou, Lei; Wang, Yao-Yu","Performance enhancement of oxygen evolution reaction through incorporating bimetallic electrocatalysts in two-dimensional metal‒organic frameworks","Catalysis Science & Technology","2020","10","12","3897","3903","10.1039/D0CY00567C","","","0.71073","MoKα","","0.0307","0.0273","","","0.0684","0.0712","","","","","","1.054","","","","has coordinates","257221","2020-10-21","18:00:00",""
"1558150","20.1868","0.0004","12.2668","0.0003","11.4817","0.0002","90","","92.862","0.002","90","","2839.64","0.1","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Co0.79 Fe0.21 N2 O10 S2 -","- C28 H24 Co0.79 Fe0.21 N2 O10 S2 -","- C112 H96 Co3.16 Fe0.84 N8 O40 S8 -","4","0.5","","Yang, Chun; Cai, Wen-Jing; Yu, Bin-Bin; Qiu, Hong; Li, Meng-Li; Zhu, Lian-Wen; Yan, Zheng; Hou, Lei; Wang, Yao-Yu","Performance enhancement of oxygen evolution reaction through incorporating bimetallic electrocatalysts in two-dimensional metal‒organic frameworks","Catalysis Science & Technology","2020","10","12","3897","3903","10.1039/D0CY00567C","","","1.54184","CuKα","","0.0341","0.0325","","","0.0878","0.0892","","","","","","0.996","","","","has coordinates","257221","2020-10-21","18:00:00",""
"1558151","20.1616","0.0004","12.1398","0.0004","11.4274","0.0003","90","","92.792","0.001","90","","2793.63","0.13","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Co0.29 N2 Ni0.71 O10 S2 -","- C28 H24 Co0.29 N2 Ni0.71 O10 S2 -","- C112 H96 Co1.16 N8 Ni2.84 O40 S8 -","4","0.5","","Yang, Chun; Cai, Wen-Jing; Yu, Bin-Bin; Qiu, Hong; Li, Meng-Li; Zhu, Lian-Wen; Yan, Zheng; Hou, Lei; Wang, Yao-Yu","Performance enhancement of oxygen evolution reaction through incorporating bimetallic electrocatalysts in two-dimensional metal‒organic frameworks","Catalysis Science & Technology","2020","10","12","3897","3903","10.1039/D0CY00567C","","","0.71073","MoKα","","0.0274","0.0256","","","0.0638","0.0649","","","","","","1.078","","","","has coordinates","257221","2020-10-21","18:00:00",""
"1558152","7.8821","0.0006","12.0559","0.0011","14.7116","0.0012","86.518","0.003","74.563","0.003","78.674","0.003","1321.25","0.19","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H34 O4 -","- C31 H34 O4 -","- C62 H68 O8 -","2","1","","Xu, Zhengshuai; Tang, Yitian; Shen, Chaoren; Zhang, Hongru; Gan, Yuxin; Ji, Xiaolei; Tian, Xinxin; Dong, Kaiwu","Nickel-catalyzed regio- and diastereoselective hydroarylative and hydroalkenylative cyclization of 1,6-dienes.","Chemical communications (Cambridge, England)","2020","56","56","7741","7744","10.1039/c9cc09450d","","","0.71073","MoKα","","0.0915","0.0741","","","0.1818","0.1973","","","","","","1.048","","","","has coordinates,has disorder","254877","2020-10-21","18:00:00",""
"1558153","5.9143","0.0001","12.5172","0.0003","14.5829","0.0003","90","","97.421","0.002","90","","1070.54","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 N O5 S -","- C25 H23 N O5 S -","- C50 H46 N2 O10 S2 -","2","1","","Tao, Mengna; Tu, Youshao; Liu, Yu; Wu, Haihong; Liu, Lu; Zhang, Junliang","Pd/Xiang-Phos-catalyzed enantioselective intermolecular carboheterofunctionalization under mild conditions.","Chemical science","2020","11","24","6283","6288","10.1039/d0sc01391a","","x-ray","1.54184","CuKα","","0.0532","0.0523","","","0.1408","0.1417","","","","","","1.05","","","","has coordinates","257286","2020-10-21","18:00:00",""
"1558154","8.9043","0.0001","10.7948","0.0001","31.6319","0.0002","90","","90","","90","","3040.46","0.05","100","0.4","100","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C136 H136 N8 O24 S8 -","8","2","","Tao, Mengna; Tu, Youshao; Liu, Yu; Wu, Haihong; Liu, Lu; Zhang, Junliang","Pd/Xiang-Phos-catalyzed enantioselective intermolecular carboheterofunctionalization under mild conditions.","Chemical science","2020","11","24","6283","6288","10.1039/d0sc01391a","","x-ray","1.54184","CuKα","","0.0306","0.03","","","0.0748","0.0751","","","","","","1.036","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1558155","14.1647","0.0002","15.302","0.0002","25.9901","0.0004","88.142","0.001","84.223","0.001","66.438","0.001","5137.23","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H129 Cl4 Mn2 N7 O12 Zn -","- C98 H129 Cl4 Mn2 N7 O12 Zn -","- C196 H258 Cl8 Mn4 N14 O24 Zn2 -","2","1","","Doistau, Benjamin; Benda, Lorien; Cantin, Jean-Louis; Cador, Olivier; Pointillart, Fabrice; Wernsdorfer, Wolfgang; Chamoreau, Lise-Marie; Marvaud, Valérie; Hasenknopf, Bernold; Vives, Guillaume","Dual switchable molecular tweezers incorporating anisotropic Mn<sup>III</sup>-salphen complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8872","8882","10.1039/d0dt01465f","","x-ray","0.66825","synchrotron","","0.0841","0.0654","","","0.185","0.2087","","","","","","1.043","","","","has coordinates,has disorder","254996","2020-10-21","18:00:00",""
"1558156","15.1358","0.0012","16.5212","0.001","22.9401","0.0016","89.629","0.005","72.981","0.005","73.972","0.005","5254.7","0.7","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C194 H240 Cl4 Mn4 N17 O27 Zn3 -","- C194 H202 Cl4 Mn4 N17 O24 Zn3 -","- C194 H202 Cl4 Mn4 N17 O24 Zn3 -","1","0.5","","Doistau, Benjamin; Benda, Lorien; Cantin, Jean-Louis; Cador, Olivier; Pointillart, Fabrice; Wernsdorfer, Wolfgang; Chamoreau, Lise-Marie; Marvaud, Valérie; Hasenknopf, Bernold; Vives, Guillaume","Dual switchable molecular tweezers incorporating anisotropic Mn<sup>III</sup>-salphen complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8872","8882","10.1039/d0dt01465f","","","1.54178","CuKα","","0.1166","0.0843","","","0.2395","0.2657","","","","","","1.048","","","","has coordinates,has disorder","254996","2020-10-21","18:00:00",""
"1558157","10.854","0.006","14.735","0.006","17.464","0.007","67.045","0.018","79.81","0.02","77.424","0.019","2497","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 N4 O8 Zn -","- C22 H22 N4 O8 Zn -","- C88 H88 N16 O32 Zn4 -","4","2","","Wen, Yuehong; Liu, Qiang; Su, Shaodong; Yang, Yuying; Li, Xiaofang; Zhu, Qi-Long; Wu, Xintao","Coordination tailoring of water-labile 3D MOFs to fabricate ultrathin 2D MOF nanosheets.","Nanoscale","2020","12","24","12767","12772","10.1039/d0nr02956d","","","0.71073","MoKα","","0.1021","0.0799","","","0.1636","0.1747","","","","","","1.141","","","","has coordinates,has disorder","253930","2020-10-21","18:00:00",""
"1558158","8.5365","0.0003","12.2999","0.0003","16.448","0.0005","90","","90","","90","","1727.01","0.09","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Seijo, Lorenzo; Ondet, Pierrick; Olivero, Sandra; Duñach, Elisabet","Heterogeneous catalysis for the tandem cyclisation of unsaturated alcohols","New Journal of Chemistry","2020","44","25","10479","10483","10.1039/D0NJ01857K","","x-ray","1.54184","CuKα","","0.0426","0.04","","","0.1049","0.1076","","","","","","1.099","","","","has coordinates","257786","2020-10-21","18:00:00",""
"1558159","16.9376","0.0006","13.144","0.0004","10.6399","0.0004","90","","92.891","0.004","90","","2365.72","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-5-[(4-fluorophenyl)diazenyl]-4-methylthiazole","","- C25 H18 Cl F2 N5 S -","- C25 H18 Cl F2 N5 S -","- C100 H72 Cl4 F8 N20 S4 -","4","1","ZL4041","Alanazi, Saud A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-5-[(4-fluorophenyl)diazenyl]-4-methylthiazole","IUCrData","2020","5","5","x200700","","10.1107/S2414314620007002","","","0.71073","MoKα","","0.0955","0.0484","","","0.1036","0.1252","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","252489","2020-10-21","18:00:00",""
"1558160","10.882","0.0006","8.4029","0.0004","18.9678","0.0011","90","","95.44","0.002","90","","1726.61","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3-Dimethyl-1<i>H</i>-imidazol-3-ium benzenesulfonate; 1,2-dimethyl-1<i>H</i>-imidazole","","- C16 H22 N4 O3 S -","- C16 H22 N4 O3 S -","- C64 H88 N16 O12 S4 -","4","1","BV4031","Cyr, Noah; Zeller, Matthias; Hillesheim, Patrick C.; Mirjafari, Arsalan","2,3-Dimethyl-1<i>H</i>-imidazol-3-ium benzenesulfonate‒1,2-dimethyl-1<i>H</i>-imidazole co-crystal","IUCrData","2020","5","5","x200689","","10.1107/S2414314620006896","","","0.71073","MoKα","","0.0406","0.0345","","","0.0897","0.0945","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","252490","2020-10-21","18:00:00",""
"1558161","10.2564","0.0007","6.5369","0.0005","10.9683","0.0009","90","","95.067","0.007","90","","732.5","0.1","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","Dipropylammonium 4-aminobenzenesulfonate","Dipropylazanium 4-aminobenzenesulfonate","","- C12 H22 N2 O3 S -","- C12 H22 N2 O3 S -","- C24 H44 N4 O6 S2 -","2","1","HB4347","Sarr, Bougar; Mbaye, Abdou; Touré, Assane; Diop, Cheikh Abdoul Khadir; Sidibé, Mamadou; Michaud, François","Dipropylammonium 4-aminobenzenesulfonate","IUCrData","2020","5","5","x200659","","10.1107/S2414314620006598","","","0.71073","MoKα","","0.047","0.0388","","","0.0895","0.0966","","","","","","1.172","","","","has coordinates","252491","2020-10-21","18:00:00",""
"1558162","8.4907","0.0001","9.263","0.0001","38.6476","0.0006","90","","90","","90","","3039.61","0.07","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H44 O10 -","- C32 H44 O10 -","- C128 H176 O40 -","4","1","","Yu, Jin-Hai; Zhang, Hua; Zhou, Bin; Zimbres, Flavia M.; Dalal, Seema; Liu, Qun-Fang; Cassera, Maria B.; Yue, Jian-Min","Limonoids from <i>Cipadessa baccifera</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b00666","","","1.54178","CuKα","","0.0429","0.0406","","","0.11","0.1121","","","","","","1.026","","","","has coordinates","252502","2020-10-21","18:00:00",""
"1558163","9.271","0.0002","9.6883","0.0003","19.4904","0.0004","90","","92.098","0.002","90","","1749.46","0.08","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O8 -","- C20 H20 O8 -","- C80 H80 O32 -","4","1","","Lum, Kah Yean; Taki, Aya C.; Gasser, Robin B.; Tietjen, Ian; Ekins, Merrick G.; White, Jonathan M.; Addison, Russell S.; Hayes, Sasha; St John, James; Davis, Rohan A.","Comatulins A-E, Taurine-Conjugated Anthraquinones from the Australian Crinoid <i>Comatula rotalaria</i>.","Journal of natural products","2020","83","6","1971","1979","10.1021/acs.jnatprod.0c00267","","x-ray","1.54184","CuKα","","0.0868","0.0827","","","0.2628","0.2739","","","","","","1.262","","","","has coordinates","253728","2020-10-21","18:00:00",""
"1558164","11.7394","0.0001","14.7656","0.0002","14.6955","0.0002","90","","108.172","0.001","90","","2420.26","0.05","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C16 H29 Cl F6 N2 O P Ru Sb -","- C16 H29 Cl F6 N2 O P Ru Sb -","- C64 H116 Cl4 F24 N8 O4 P4 Ru4 Sb4 -","4","1","","González-Fernández, Rebeca; Álvarez, Daniel; Crochet, Pascale; Cadierno, Victorio; Menéndez, M. Isabel; López, Ramón","Catalytic hydration of cyanamides with phosphinous acid-based ruthenium(ii) and osmium(ii) complexes: scope and mechanistic insights","Catalysis Science & Technology","2020","10","12","4084","4098","10.1039/D0CY00523A","","","1.54184","CuKα","","0.037","0.0323","","","0.0782","0.0816","","","","","","1.03","","","","has coordinates,has disorder","257220","2020-10-21","18:00:00",""
"1558165","8.3717","0.0003","21.574","0.0006","14.8558","0.0006","90","","105.025","0.004","90","","2591.39","0.16","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 Cl F6 N2 O P Ru Sb -","- C17 H31 Cl F6 N2 O P Ru Sb -","- C68 H124 Cl4 F24 N8 O4 P4 Ru4 Sb4 -","4","1","","González-Fernández, Rebeca; Álvarez, Daniel; Crochet, Pascale; Cadierno, Victorio; Menéndez, M. Isabel; López, Ramón","Catalytic hydration of cyanamides with phosphinous acid-based ruthenium(ii) and osmium(ii) complexes: scope and mechanistic insights","Catalysis Science & Technology","2020","10","12","4084","4098","10.1039/D0CY00523A","","","1.54184","CuKα","","0.0705","0.0584","","","0.1477","0.1647","","","","","","1.043","","","","has coordinates","257220","2020-10-21","18:00:00",""
"1558166","26.2516","0.0005","26.2516","0.0005","26.8975","0.0008","90","","90","","120","","16052.9","0.6","179.98","0.15","179.98","0.15","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C55 H49 Co N4 O3 -","- C55 H49 Co N4 O3 -","- C660 H588 Co12 N48 O36 -","12","1","","Wu, Zhenqiang; Peng, Chi-How; Fu, Xuefeng","Tacticity control approached by visible-light induced organocobalt-mediated radical polymerization: the synthesis of crystalline poly(N,N-dimethylacrylamide) with high isotacticity","Polymer Chemistry","2020","11","27","4387","4395","10.1039/D0PY00587H","","","0.71073","MoKα","","0.0872","0.052","","","0.1205","0.139","","","","","","1.025","","","","has coordinates","257933","2020-10-21","18:00:00",""
"1558167","26.3082","0.0011","13.2167","0.0006","19.661","0.0008","90","","94.33","0.002","90","","6816.8","0.5","173","2","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H57 Br2 Cl3 N2 Ni O -","- C73 H57 Br2 Cl3 N2 Ni O -","- C292 H228 Br8 Cl12 N8 Ni4 O4 -","4","1","","Hu, Xiaoqiang; Wang, Chaoqun; Jian, Zhongbao","Comprehensive studies of the ligand electronic effect on unsymmetrical α-diimine nickel(ii) promoted ethylene (co)polymerizations","Polymer Chemistry","2020","11","24","4005","4012","10.1039/D0PY00536C","","","1.54184","CuKα","","0.0568","0.0552","","","0.1477","0.1492","","","","","","1.091","","","","has coordinates","257931","2020-10-21","18:00:00",""
"1558168","11.6968","0.0008","14.6139","0.001","20.2591","0.0013","93.384","0.003","95.778","0.003","100.036","0.003","3382.3","0.4","173","2","173","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H52 Br2 F4 N2 Ni O -","- C72 H52 Br2 F4 N2 Ni O -","- C144 H104 Br4 F8 N4 Ni2 O2 -","2","1","","Hu, Xiaoqiang; Wang, Chaoqun; Jian, Zhongbao","Comprehensive studies of the ligand electronic effect on unsymmetrical α-diimine nickel(ii) promoted ethylene (co)polymerizations","Polymer Chemistry","2020","11","24","4005","4012","10.1039/D0PY00536C","","","1.54184","CuKα","","0.045","0.0408","","","0.0976","0.1016","","","","","","1.059","","","","has coordinates","257931","2020-10-21","18:00:00",""
"1558171","4.0972","0.0012","10.591","0.003","16.59","0.005","108.6","0.004","94.491","0.004","90.019","0.004","680","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 Bi S2 -","- C13 H13 Bi S2 -","- C26 H26 Bi2 S4 -","2","1","","Mukhopadhyay, Deb Pratim; Schleier, Domenik; Wirsing, Sara; Ramler, Jacqueline; Kaiser, Dustin; Reusch, Engelbert; Hemberger, Patrick; Preitschopf, Tobias; Krummenacher, Ivo; Engels, Bernd; Fischer, Ingo; Lichtenberg, Crispin","Methylbismuth: an Organometallic Bismuthinidene Biradical","Chemical Science","2020","","","","","10.1039/D0SC02410D","","","0.71073","MoKα","","0.0293","0.0243","","","0.0525","0.054","","","","","","1.08","","","","has coordinates,has disorder","252619","2020-10-21","18:00:00",""
"1558174","6.6095","0.0001","17.787","0.0002","14.0522","0.0001","90","","103.1","0.001","90","","1609.03","0.03","93.15","","93.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O2 S -","- C18 H18 N2 O2 S -","- C72 H72 N8 O8 S4 -","4","1","","Pagire, Santosh K.; Kumagai, Naoya; Shibasaki, Masakatsu","Introduction of a 7-aza-6-MeO-indoline auxiliary in Lewis-acid/photoredox cooperative catalysis: highly enantioselective aminomethylation of α,β-unsaturated amides","Chemical Science","2020","11","20","5168","5174","10.1039/D0SC01890B","","x-ray","1.54184","CuKα","","0.0667","0.0653","","","0.173","0.1739","","","","","","1.047","","","","has coordinates","257346","2020-10-21","18:00:00",""
"1558175","6.0571","0.0001","10.1647","0.0001","14.3715","0.0002","103.628","0.001","98.272","0.001","101.112","0.001","827.01","0.02","93.15","","93.15","","","","","","","","","4","P 1","P 1","1","","","","- C19 H23 N3 O2 -","- C19 H23 N3 O2 -","- C38 H46 N6 O4 -","2","2","","Pagire, Santosh K.; Kumagai, Naoya; Shibasaki, Masakatsu","Introduction of a 7-aza-6-MeO-indoline auxiliary in Lewis-acid/photoredox cooperative catalysis: highly enantioselective aminomethylation of α,β-unsaturated amides","Chemical Science","2020","11","20","5168","5174","10.1039/D0SC01890B","","x-ray","1.54184","CuKα","","0.0368","0.0356","","","0.0957","0.0966","","","","","","1.081","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1558176","21.7889","0.0004","16.4491","0.0004","24.0629","0.0005","90","","106.505","0.002","90","","8269","0.3","93.15","","93.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C80 H87 Cu F6 N3 O5 P3 -","- C80 H87 Cu F6 N3 O5 P3 -","- C320 H348 Cu4 F24 N12 O20 P12 -","4","1","","Pagire, Santosh K.; Kumagai, Naoya; Shibasaki, Masakatsu","Introduction of a 7-aza-6-MeO-indoline auxiliary in Lewis-acid/photoredox cooperative catalysis: highly enantioselective aminomethylation of α,β-unsaturated amides","Chemical Science","2020","11","20","5168","5174","10.1039/D0SC01890B","","x-ray","1.54184","CuKα","","0.1027","0.068","","","0.1866","0.2118","","","","","","1.056","","","","has coordinates","257346","2020-10-21","18:00:00",""
"1558177","13.9419","0.0003","18.9963","0.0003","14.6207","0.0003","90","","97.9869","0.0019","90","","3834.65","0.13","123","2","123.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C96 H74 Cl6 -","- C96 H74 Cl6 -","- C192 H148 Cl12 -","2","0.5","","Shudo, Hiroki; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Synthesis of Cycloiptycenes from Carbon Nanobelt","Chemical Science","2020","","","","","10.1039/D0SC02501A","","x-ray","0.71073","MoKα","","0.0953","0.0732","","","0.2204","0.239","","","","","","1.066","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"1558178","31.0383","0.0008","31.0383","0.0008","11.8708","0.0004","90","","90","","120","","9903.9","0.5","123","2","123.15","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C74 H84 O19 -","- C74.0001 H84 O19 -","- C444.001 H504 O114 -","6","0.333333","","Shudo, Hiroki; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Synthesis of Cycloiptycenes from Carbon Nanobelt","Chemical Science","2020","","","","","10.1039/D0SC02501A","","x-ray","0.71073","MoKα","","0.2302","0.1465","","","0.41","0.452","","","","","","1.51","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1558179","46.422","0.004","7.7267","0.0006","46.356","0.004","90","","109.884","0.01","90","","15636","2","123","2","123.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C201 H174 Cl6 -","- C201 H174 Cl6 -","- C804 H696 Cl24 -","4","0.5","","Shudo, Hiroki; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Synthesis of Cycloiptycenes from Carbon Nanobelt","Chemical Science","2020","","","","","10.1039/D0SC02501A","","x-ray","0.71073","MoKα","","0.4275","0.1677","","","0.3823","0.4979","","","","","","1.033","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"1558180","11.0799","0.0009","15.4092","0.0015","16.833","0.002","111.731","0.01","95.979","0.008","99.11","0.007","2594.2","0.5","123","2","123.15","","","","","","","","","3","P -1","-P 1","2","","","","- C142.5 H106 O2 -","- C142.5 H106 O2 -","- C142.5 H106 O2 -","1","0.5","","Shudo, Hiroki; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Synthesis of Cycloiptycenes from Carbon Nanobelt","Chemical Science","2020","","","","","10.1039/D0SC02501A","","x-ray","0.71073","MoKα","","0.3183","0.1177","","","0.2859","0.3871","","","","","","0.959","","","","has coordinates,has disorder","252658","2020-10-21","18:00:00",""
"1558181","8.9253","0.0005","15.5724","0.0009","25.2322","0.0014","98.168","0.005","91.134","0.005","103.075","0.005","3376.5","0.3","149.99","0.1","149.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C52 H83 Cl2 Cu N13 O9 Si -","- C52 H83 Cl Cu N13 O9 Si -","- C104 H166 Cl2 Cu2 N26 O18 Si2 -","2","1","","Peters, Anna D.; Borsley, Stefan; della Sala, Flavio; Cairns-Gibson, Dominic F.; Leonidou, Marios; Clayden, Jonathan; Whitehead, George F. S.; Vitorica-Yrzebal, Inigo; Takano, Eriko; Burthem, John; Cockroft, Scott Lee; Webb, Simon","Switchable foldamer ion channels with antibacterial activity","Chemical Science","2020","","","","","10.1039/D0SC02393K","","x-ray","1.54184","CuKα","","0.0924","0.0716","","","0.202","0.2197","","","","","","1.048","","","","has coordinates","252659","2020-10-21","18:00:00",""
"1558182","9.207","0.0003","15.6088","0.0003","23.6308","0.0005","85.168","0.002","79.223","0.002","76.681","0.002","3243.35","0.14","220.01","0.1","220.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C53.81 H87.51 N13 O9.45 Si -","- C53.8074 H87.5185 N13 O9.45185 Si -","- C107.615 H175.037 N26 O18.9037 Si2 -","2","1","","Peters, Anna D.; Borsley, Stefan; della Sala, Flavio; Cairns-Gibson, Dominic F.; Leonidou, Marios; Clayden, Jonathan; Whitehead, George F. S.; Vitorica-Yrzebal, Inigo; Takano, Eriko; Burthem, John; Cockroft, Scott Lee; Webb, Simon","Switchable foldamer ion channels with antibacterial activity","Chemical Science","2020","","","","","10.1039/D0SC02393K","","x-ray","1.54184","CuKα","","0.0939","0.0809","","","0.2505","0.2641","","","","","","1.05","","","","has coordinates,has disorder","252659","2020-10-21","18:00:00",""
"1558183","9.1099","0.0002","24.1351","0.0009","34.1137","0.0011","90","","90","","90","","7500.5","0.4","150","0.02","150","0.02","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H84 Cl Cu N13 O12 Si -","- C53 H84 Cl Cu N13 O12 Si -","- C212 H336 Cl4 Cu4 N52 O48 Si4 -","4","1","","Peters, Anna D.; Borsley, Stefan; della Sala, Flavio; Cairns-Gibson, Dominic F.; Leonidou, Marios; Clayden, Jonathan; Whitehead, George F. S.; Vitorica-Yrzebal, Inigo; Takano, Eriko; Burthem, John; Cockroft, Scott Lee; Webb, Simon","Switchable foldamer ion channels with antibacterial activity","Chemical Science","2020","","","","","10.1039/D0SC02393K","","x-ray","1.54184","CuKα","","0.1081","0.0715","","","0.1715","0.1949","","","","","","1.052","","","","has coordinates,has disorder","252659","2020-10-21","18:00:00",""
"1558184","12.7006","0.0004","10.0271","0.0005","20.1044","0.001","90","","106.525","0.003","90","","2454.55","0.19","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","Compound X","","","- C14 H14 O2 -","- C14 H14 O2 -","- C112 H112 O16 -","8","2","","RESENDE, Pamela C. S.; COURI, Mara R. C.; MIGUEL, Fábio B.; CUIN, Alexandre","Analytical, Spectroscopic and Crystallographic Characterization of 3-[(2<i>E</i>)-3-Phenylprop-2-en-1-ylidene]pentane-2,4-dione","X-ray Structure Analysis Online","2020","36","0","15","16","10.2116/xraystruct.36.15","","x-ray","0.71073","MoKα","","0.1494","0.0831","","","0.2238","0.2565","","","","","","1.045","","","","has coordinates","258168","2020-10-21","18:00:00",""
"1558185","10.4786","0.0003","18.9864","0.0004","22.1096","0.0005","90","","100.077","0.002","90","","4330.87","0.18","130","","130","","","","","","","","Marco Meyer","8","P 1 21/c 1","-P 2ybc","14","","","","- C47 H37 Cl Cu F6 N2 O P3 -","- C47 H37 Cl Cu F6 N2 O P3 -","- C188 H148 Cl4 Cu4 F24 N8 O4 P12 -","4","1","","Meyer, Marco; Brunner, Fabian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Chimera Diimine Ligands in Emissive [Cu(P^P)(N^N)][PF6] Complexes","Inorganics","2020","8","5","33","","10.3390/inorganics8050033","","","1.34143","GaKα","","0.1124","0.1124","","0.0443","0.0443","0.0443","","","","","","1.0315","","","","has coordinates,has disorder","252936","2020-10-21","18:00:00",""
"1558186","11.4363","0.0006","14.0871","0.0006","14.803","0.0007","89.133","0.004","68.457","0.004","88.73","0.004","2217.62","0.19","130","","130","","","","","","","","Marco Meyer","8","P -1","-P 1","2","","","","- C50 H41 Cl Cu F6 N2 O P3 -","- C50 H41 Cl Cu F6 N2 O P3 -","- C100 H82 Cl2 Cu2 F12 N4 O2 P6 -","2","1","","Meyer, Marco; Brunner, Fabian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Chimera Diimine Ligands in Emissive [Cu(P^P)(N^N)][PF6] Complexes","Inorganics","2020","8","5","33","","10.3390/inorganics8050033","","","1.34143","GaKα","","0.1112","0.1112","","0.0483","0.0483","0.0466","","","","","","0.9937","","","","has coordinates,has disorder","252937","2020-10-21","18:00:00",""
"1558187","9.3351","0.0005","18.4709","0.0009","14.3598","0.0007","90","","93.846","0.001","90","","2470.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 N O Sn -","- C29 H27 N O Sn -","- C116 H108 N4 O4 Sn4 -","4","1","","Bender, Desiree N.; Lough, Alan J.; Wylie, R. Stephen; Gossage, Robert A.; Foucher, Daniel A.","Preparation and DFT Studies of κ2C,N-Hypercoordinated Oxazoline Organotins: Monomer Constructs for Stable Polystannanes","Inorganics","2020","8","5","35","","10.3390/inorganics8050035","","","0.71073","MoKα","","0.0281","0.0212","","","0.0423","0.0452","","","","","","1.105","","","","has coordinates","252938","2020-10-21","18:00:00",""
"1558188","9.1303","0.0004","9.302","0.0004","24.2461","0.0011","90.942","0.001","91.775","0.001","91.724","0.001","2056.99","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H22 Cl N O Sn -","- C23 H22 Cl N O Sn -","- C92 H88 Cl4 N4 O4 Sn4 -","4","2","","Bender, Desiree N.; Lough, Alan J.; Wylie, R. Stephen; Gossage, Robert A.; Foucher, Daniel A.","Preparation and DFT Studies of κ2C,N-Hypercoordinated Oxazoline Organotins: Monomer Constructs for Stable Polystannanes","Inorganics","2020","8","5","35","","10.3390/inorganics8050035","","","0.71073","MoKα","","0.0255","0.0205","","","0.0398","0.0413","","","","","","1.096","","","","has coordinates","252939","2020-10-21","18:00:00",""
"1558189","10.5295","0.0007","10.0336","0.0005","17.1396","0.0011","90","","96.677","0.002","90","","1798.5","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Br2 N O Sn -","- C17 H17 Br2 N O Sn -","- C68 H68 Br8 N4 O4 Sn4 -","4","1","","Bender, Desiree N.; Lough, Alan J.; Wylie, R. Stephen; Gossage, Robert A.; Foucher, Daniel A.","Preparation and DFT Studies of κ2C,N-Hypercoordinated Oxazoline Organotins: Monomer Constructs for Stable Polystannanes","Inorganics","2020","8","5","35","","10.3390/inorganics8050035","","","0.71073","MoKα","","0.0358","0.0219","","","0.0383","0.0422","","","","","","1.052","","","","has coordinates,has disorder","252940","2020-10-21","18:00:00",""
"1558190","8.453","0.0005","10.2368","0.0005","11.7987","0.0007","93.059","0.002","101.936","0.002","108.325","0.002","940.5","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 Br2 N O Sn -","- C18 H19 Br2 N O Sn -","- C36 H38 Br4 N2 O2 Sn2 -","2","1","","Bender, Desiree N.; Lough, Alan J.; Wylie, R. Stephen; Gossage, Robert A.; Foucher, Daniel A.","Preparation and DFT Studies of κ2C,N-Hypercoordinated Oxazoline Organotins: Monomer Constructs for Stable Polystannanes","Inorganics","2020","8","5","35","","10.3390/inorganics8050035","","","0.71073","MoKα","","0.025","0.0183","","","0.0358","0.0387","","","","","","1.115","","","","has coordinates","252941","2020-10-21","18:00:00",""
"1558191","8.4502","0.0002","18.9557","0.0005","31.5231","0.0009","90","","90","","90","","5049.4","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 N O Sn -","- C30 H29 N O Sn -","- C240 H232 N8 O8 Sn8 -","8","2","","Bender, Desiree N.; Lough, Alan J.; Wylie, R. Stephen; Gossage, Robert A.; Foucher, Daniel A.","Preparation and DFT Studies of κ2C,N-Hypercoordinated Oxazoline Organotins: Monomer Constructs for Stable Polystannanes","Inorganics","2020","8","5","35","","10.3390/inorganics8050035","","","0.71073","MoKα","","0.0449","0.0316","","","0.0485","0.0517","","","","","","0.987","","","","has coordinates","252942","2020-10-21","18:00:00",""
"1558192","19.422","0.002","22.654","0.003","25.321","0.003","115.783","0.004","92.992","0.005","106.118","0.005","9443","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C133 H101 Cl5 I3 N9 Ni12 O35 -","- C133 H87 Cl5 I3 N9 Ni12 O35 -","- C266 H174 Cl10 I6 N18 Ni24 O70 -","2","1","","Perlepe, Panagiota S.; Pantelis, Konstantinos N.; Cunha-Silva, Luís; Bekiari, Vlasoula; Escuer, Albert; Stamatatos, Theocharis C.","Rare Nuclearities in Ni(II) Cluster Chemistry: An Unprecedented {Ni12} Nanosized Cage from the Use of N-Naphthalidene-2-Amino-5-Chlorobenzoic Acid","Inorganics","2020","8","5","32","","10.3390/inorganics8050032","","","0.71073","MoKα","","0.1221","0.0872","","","0.2099","0.2361","","","","","","1.04","","","","has coordinates","252943","2020-10-21","18:00:00",""
"1558193","5.3626","0.0002","5.3626","0.0002","10.5873","0.0005","90","","90","","90","","304.46","0.02","299","2","299","2","","","","","","","","4","I -4 2 m","I -4 2","121","richardsite","","","- Cu Ga S4 Zn2 -","- Cu Ga S4 Zn2 -","- Cu2 Ga2 S8 Zn4 -","2","0.125","","Bindi, Luca; Jaszczak, John A.","Richardsite, Zn2CuGaS4, A New Gallium-Essential Member of the Stannite Group from the Gem Mines near Merelani, Tanzania","Minerals","2020","10","5","467","","10.3390/min10050467","","","0.71073","MoKα","","0.0332","0.0284","","","0.0862","0.0895","","","","","","1.129","","","","has coordinates","252944","2020-10-21","18:00:00",""
"1558194","9.4765","0.0003","9.2067","0.0003","24.1253","0.0007","90","","92.1209","0.0007","90","","2103.43","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 Br N O6 -","- C23 H18 Br N O6 -","- C92 H72 Br4 N4 O24 -","4","1","","Ryzhkova, Yuliya E.; Ryzhkov, Fedor V.; Elinson, Michail N.","3-(4-Bromophenyl)-4-{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl](m-tolyl)methyl}isoxazol-5(2H)-one","Molbank","2020","2020","2","M1135","","10.3390/M1135","","","0.71073","MoKα","","0.0604","0.04","","","0.0893","0.1023","","","","","","1.046","","","","has coordinates","252945","2020-10-21","18:00:00",""
"1558195","8.4965","0.0005","7.8419","0.0005","26.1413","0.0017","90","","90.318","0.002","90","","1741.73","0.19","296","2","296.15","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C12 H36 Ag Br12 In N4 -","- C12 H36 Ag Br12 In N4 -","- C24 H72 Ag2 Br24 In2 N8 -","2","0.5","","Connor, Bridget A.; Biega, Raisa-Ioana; Leppert, Linn; Karunadasa, Hemamala I.","Dimensional reduction of the small-bandgap double perovskite Cs<sub>2</sub>AgTlBr<sub>6</sub>.","Chemical science","2020","11","29","7708","7715","10.1039/d0sc01580f","","","0.71073","MoKα","","0.0684","0.0599","","","0.1573","0.1641","","","","","","1.112","","","","has coordinates,has disorder","256034","2020-10-21","18:00:00",""
"1558196","11.3098","0.0004","12.6075","0.0005","18.2063","0.0007","90","","95.713","0.002","90","","2583.11","0.17","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H22 Ag Br8 N6 Tl -","- C10 H22 Ag Br8 N6 Tl -","- C40 H88 Ag4 Br32 N24 Tl4 -","4","0.5","","Connor, Bridget A.; Biega, Raisa-Ioana; Leppert, Linn; Karunadasa, Hemamala I.","Dimensional reduction of the small-bandgap double perovskite Cs<sub>2</sub>AgTlBr<sub>6</sub>.","Chemical science","2020","11","29","7708","7715","10.1039/d0sc01580f","","","0.7288","synchrotron","","0.05","0.0496","","","0.1036","0.1041","","","","","","1.126","","","","has coordinates","256034","2020-10-21","18:00:00",""
"1558197","8.4673","0.0003","7.8406","0.0003","26.1647","0.001","90","","90.312","0.002","90","","1737.01","0.11","298","","298","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C12 H36 Ag Br12 N4 Tl -","- C12 H36 Ag Br12 N4 Tl -","- C24 H72 Ag2 Br24 N8 Tl2 -","2","0.5","","Connor, Bridget A.; Biega, Raisa-Ioana; Leppert, Linn; Karunadasa, Hemamala I.","Dimensional reduction of the small-bandgap double perovskite Cs<sub>2</sub>AgTlBr<sub>6</sub>.","Chemical science","2020","11","29","7708","7715","10.1039/d0sc01580f","","","0.7288","synchrotron","","0.0495","0.038","","","0.0862","0.0905","","","","","","1.082","","","","has coordinates,has disorder","256034","2020-10-21","18:00:00",""
"1558198","7.8617","0.0006","7.8687","0.0006","23.0185","0.0011","83.703","0.005","85.727","0.005","89.818","0.006","1411.41","0.17","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H24 Ag Br7 Cs N2 Tl -","- C16 H24 Ag Br7 Cs N2 Tl -","- C32 H48 Ag2 Br14 Cs2 N4 Tl2 -","2","1","","Connor, Bridget A.; Biega, Raisa-Ioana; Leppert, Linn; Karunadasa, Hemamala I.","Dimensional reduction of the small-bandgap double perovskite Cs<sub>2</sub>AgTlBr<sub>6</sub>.","Chemical science","2020","11","29","7708","7715","10.1039/d0sc01580f","","","0.6888","synchrotron","","0.0882","0.0661","","","0.1745","0.1934","","","","","","1.072","","","","has coordinates","256034","2020-10-21","18:00:00",""
"1558199","8.1603","0.0002","9.806","0.0003","10.9374","0.0002","92.13","0.003","108.187","0.002","114.618","0.002","741.61","0.04","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14.61 N2 O2 -","- C18 H14.606 N2 O2 -","- C36 H29.212 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0345","0.0322","","","0.0896","0.0912","","","","","","1.085","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558200","8.18873","0.00015","9.82362","0.00013","10.94583","0.00015","92.3016","0.0011","108.097","0.0014","114.537","0.0015","746.66","0.02","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14.6 N2 O2 -","- C18 H14.6 N2 O2 -","- C36 H29.2 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0366","0.0336","","","0.0937","0.0959","","","","","","1.096","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558201","8.20354","0.00016","9.82973","0.00015","10.95062","0.00015","92.3825","0.0012","108.058","0.0014","114.49","0.0017","749.11","0.03","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14.58 N2 O2 -","- C18 H14.582 N2 O2 -","- C36 H29.164 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0377","0.0343","","","0.0964","0.0992","","","","","","1.108","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558202","8.23553","0.00013","9.85058","0.00013","10.96006","0.00014","92.5489","0.0011","107.957","0.0013","114.434","0.0014","754.73","0.02","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14.6 N2 O2 -","- C18 H14.602 N2 O2 -","- C36 H29.204 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0401","0.0356","","","0.0992","0.1034","","","","","","1.055","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558203","8.17391","0.00017","9.8142","0.00015","10.94231","0.00017","92.2144","0.0013","108.147","0.0016","114.571","0.0017","744.1","0.03","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14.59 N2 O2 -","- C18 H14.588 N2 O2 -","- C36 H29.176 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0359","0.0335","","","0.0922","0.0941","","","","","","1.109","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558204","8.12328","0.00014","9.8351","0.0002","10.91847","0.00014","92.3839","0.0018","107.856","0.0013","114.498","0.0015","741.07","0.03","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15.03 N2 O2 -","- C18 H15.026 N2 O2 -","- C36 H30.052 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.034","0.032","","","0.086","0.0876","","","","","","1.066","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558205","8.21931","0.00013","9.84133","0.00013","10.95472","0.00014","92.4662","0.0011","108.006","0.0013","114.464","0.0014","751.94","0.02","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14.61 N2 O2 -","- C18 H14.612 N2 O2 -","- C36 H29.224 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0387","0.0347","","","0.0982","0.1016","","","","","","1.081","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558206","8.13837","0.00014","9.845","0.0002","10.92312","0.00012","92.4784","0.0016","107.824","0.0012","114.466","0.0015","743.63","0.03","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15.01 N2 O2 -","- C18 H15.012 N2 O2 -","- C36 H30.024 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0354","0.0332","","","0.0893","0.0912","","","","","","1.053","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558207","8.15433","0.00011","9.85391","0.00012","10.92795","0.00012","92.5643","0.0009","107.788","0.0011","114.426","0.0012","746.298","0.019","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15.02 N2 O2 -","- C18 H15.02 N2 O2 -","- C36 H30.04 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.036","0.0336","","","0.0919","0.0939","","","","","","1.061","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558208","8.18944","0.00009","9.8706","0.0001","10.93717","0.00011","92.7279","0.0008","107.74","0.0009","114.348","0.001","751.727","0.016","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15.02 N2 O2 -","- C18 H15.02 N2 O2 -","- C36 H30.04 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0377","0.0344","","","0.0974","0.1005","","","","","","1.087","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558209","8.17154","0.0001","9.86186","0.00011","10.93238","0.00011","92.6441","0.0008","107.766","0.001","114.385","0.0011","748.951","0.018","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15.02 N2 O2 -","- C18 H15.02 N2 O2 -","- C36 H30.04 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0369","0.034","","","0.0954","0.0981","","","","","","1.081","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558210","8.2084","0.0001","9.88002","0.0001","10.94248","0.0001","92.814","0.0008","107.711","0.0009","114.311","0.0011","754.705","0.017","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15.02 N2 O2 -","- C18 H15.02 N2 O2 -","- C36 H30.04 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0395","0.0353","","","0.0999","0.104","","","","","","1.088","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558211","8.09764","0.00012","9.8669","0.00019","10.89543","0.00013","92.528","0.0017","107.588","0.0012","114.469","0.0014","740.79","0.02","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C18.01 H15.51 N2 O2 -","- C18.008 H15.508 N2 O2 -","- C36.016 H31.016 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0339","0.0321","","","0.0903","0.0919","","","","","","1.069","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558212","8.11309","0.00011","9.8742","0.00017","10.89995","0.00012","92.6153","0.0016","107.553","0.0011","114.438","0.0013","743.2","0.02","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15.5 N2 O2 -","- C18.004 H15.504 N2 O2 -","- C36.008 H31.008 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0354","0.033","","","0.0922","0.0944","","","","","","1.072","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558213","8.14797","0.0001","9.89332","0.00016","10.90921","0.00011","92.7875","0.0014","107.497","0.001","114.364","0.0012","748.78","0.02","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C18.01 H15.51 N2 O2 -","- C18.014 H15.514 N2 O2 -","- C36.028 H31.028 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0371","0.0341","","","0.0959","0.099","","","","","","1.071","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558214","8.13025","0.0001","9.88487","0.00015","10.90533","0.00011","92.7008","0.0014","107.519","0.001","114.402","0.0012","746.12","0.02","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C18.01 H15.51 N2 O2 -","- C18.01 H15.51 N2 O2 -","- C36.02 H31.02 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0362","0.0335","","","0.0937","0.0961","","","","","","1.057","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558215","8.16783","0.0001","9.90151","0.00016","10.91446","0.00011","92.8705","0.0014","107.486","0.001","114.321","0.0012","751.69","0.02","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C18.01 H15.51 N2 O2 -","- C18.01 H15.51 N2 O2 -","- C36.02 H31.02 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0381","0.0348","","","0.0985","0.1015","","","","","","1.069","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558216","8.07384","0.00014","9.7536","0.0002","10.90755","0.00017","92.9033","0.0015","107.326","0.0015","114.087","0.0019","733.83","0.03","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.95 H14 N3.05 O2 -","- C16.948 H14 N3.048 O2 -","- C33.896 H28 N6.096 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0509","0.0442","","","0.1163","0.1206","","","","","","1.089","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558217","8.1172","0.0002","9.7795","0.0003","10.9256","0.0002","93.2084","0.0019","107.177","0.002","113.972","0.003","741.6","0.04","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.92 H14 N3.07 O2 -","- C16.92 H14 N3.07 O2 -","- C33.84 H28 N6.14 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0557","0.0455","","","0.1264","0.1336","","","","","","1.072","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558218","8.1338","0.0002","9.791","0.0003","10.934","0.0003","93.322","0.002","107.125","0.002","113.929","0.003","744.78","0.04","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.9 H14 N3.08 O2 -","- C16.9 H14 N3.086 O2 -","- C33.8 H28 N6.172 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0565","0.0448","","","0.1175","0.1251","","","","","","1.052","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558219","8.10148","0.00018","9.7713","0.0002","10.9201","0.0002","93.1101","0.0018","107.23","0.0019","114.004","0.002","738.97","0.03","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.96 H14 N3.04 O2 -","- C16.96 H14 N3.038 O2 -","- C33.92 H28 N6.076 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0536","0.0451","","","0.1223","0.1288","","","","","","1.057","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558220","8.0587","0.0002","9.7436","0.0003","10.9027","0.0002","92.797","0.002","107.379","0.002","114.108","0.003","731.27","0.04","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.97 H14 N3.01 O2 -","- C16.974 H14 N3.014 O2 -","- C33.948 H28 N6.028 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0496","0.043","","","0.1164","0.1205","","","","","","1.078","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558221","8.18898","0.0001","9.90985","0.00017","10.91962","0.00012","92.962","0.0016","107.478","0.0011","114.277","0.0013","754.69","0.02","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C18.02 H15.52 N2 O2 -","- C18.018 H15.518 N2 O2 -","- C36.036 H31.036 N4 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0402","0.0362","","","0.1033","0.1068","","","","","","1.088","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558222","7.9981","0.0002","9.7278","0.0003","10.8484","0.0003","93.16","0.002","106.919","0.003","113.993","0.003","723.07","0.04","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.53 H14 N3.47 O2 -","- C16.526 H14 N3.466 O2 -","- C33.052 H28 N6.932 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0468","0.0419","","","0.1159","0.1204","","","","","","1.071","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558223","8.01758","0.00017","9.732","0.0002","10.86038","0.00018","93.301","0.0015","106.87","0.0017","113.897","0.002","726.41","0.03","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.51 H14 N3.49 O2 -","- C16.508 H14 N3.492 O2 -","- C33.016 H28 N6.984 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0523","0.0442","","","0.1256","0.1318","","","","","","1.09","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558224","8.08726","0.00015","9.7628","0.0002","10.91257","0.00018","93.0131","0.0015","107.272","0.0016","114.044","0.0019","736.33","0.03","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.94 H14 N3.06 O2 -","- C16.936 H14 N3.054 O2 -","- C33.872 H28 N6.108 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0503","0.0433","","","0.1199","0.124","","","","","","1.099","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558225","8.0515","0.0002","9.7483","0.0003","10.8766","0.0003","93.548","0.002","106.805","0.002","113.77","0.003","732.23","0.04","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.48 H14 N3.52 O2 -","- C16.478 H14 N3.524 O2 -","- C32.956 H28 N7.048 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0562","0.0458","","","0.132","0.1416","","","","","","1.094","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558226","8.0696","0.0002","9.7563","0.0003","10.8866","0.0003","93.656","0.002","106.798","0.003","113.712","0.003","735.24","0.04","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.49 H14 N3.51 O2 -","- C16.488 H14 N3.51 O2 -","- C32.976 H28 N7.02 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0583","0.0462","","","0.1272","0.1378","","","","","","1.055","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558227","8.0903","0.0003","9.7624","0.0003","10.8911","0.0003","93.754","0.003","106.789","0.003","113.675","0.004","737.88","0.05","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.47 H14 N3.52 O2 -","- C16.468 H14 N3.52 O2 -","- C32.936 H28 N7.04 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0676","0.0542","","","0.151","0.179","","","","","","1.081","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558228","8.03328","0.00018","9.7401","0.0002","10.8685","0.0002","93.4267","0.0017","106.846","0.0019","113.829","0.002","729.18","0.03","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.51 H14 N3.49 O2 -","- C16.514 H14 N3.492 O2 -","- C33.028 H28 N6.984 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0542","0.0453","","","0.1279","0.1357","","","","","","1.041","","","","has coordinates,has disorder","252959","2020-10-21","18:00:00",""
"1558229","8.0377","0.0003","9.8551","0.0004","10.8773","0.0003","92.913","0.004","107.077","0.003","114.297","0.003","735.96","0.05","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.6 H15.6 N2.4 O2 -","- C17.604 H15.604 N2.396 O2 -","- C35.208 H31.208 N4.792 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0378","0.0357","","","0.1023","0.1042","","","","","","1.085","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558230","8.05644","0.00011","9.86768","0.00017","10.88249","0.00016","92.9895","0.0018","107.093","0.0013","114.302","0.0013","738.62","0.02","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.57 H15.57 N2.43 O2 -","- C17.572 H15.572 N2.4278 O2 -","- C35.144 H31.144 N4.8556 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0393","0.0364","","","0.1055","0.1084","","","","","","1.088","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558231","8.06741","0.00016","9.8484","0.0002","10.893","0.0002","93.6858","0.0016","106.675","0.0017","113.951","0.002","741.35","0.03","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.03 H15.03 N2.97 O2 -","- C17.03 H15.03 N2.972 O2 -","- C34.06 H30.06 N5.944 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0519","0.0404","","","0.1087","0.1226","","","","","","1.036","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558232","8.09014","0.0001","9.88806","0.00015","10.89279","0.00013","93.1584","0.0016","107.044","0.0011","114.243","0.0011","744.09","0.02","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.56 H15.56 N2.44 O2 -","- C17.56 H15.56 N2.441 O2 -","- C35.12 H31.12 N4.882 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0409","0.0372","","","0.1068","0.1104","","","","","","1.08","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558233","8.10962","0.00013","9.89822","0.00018","10.89834","0.00015","93.245","0.0018","107.036","0.0013","114.206","0.0013","747.06","0.02","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.54 H15.54 N2.46 O2 -","- C17.542 H15.542 N2.4576 O2 -","- C35.084 H31.084 N4.9152 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0432","0.0381","","","0.1089","0.1141","","","","","","1.069","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558234","8.04836","0.00015","9.83877","0.00018","10.88786","0.00018","93.5909","0.0014","106.703","0.0016","113.993","0.0018","738.39","0.03","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.04 H15.04 N2.96 O2 -","- C17.038 H15.038 N2.962 O2 -","- C34.076 H30.076 N5.924 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0479","0.0387","","","0.1032","0.1148","","","","","","1.042","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558235","8.07233","0.0001","9.87774","0.00015","10.88779","0.00014","93.07","0.0016","107.065","0.0011","114.273","0.0011","741.29","0.02","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.55 H15.55 N2.45 O2 -","- C17.552 H15.552 N2.4496 O2 -","- C35.104 H31.104 N4.8992 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0397","0.0364","","","0.1047","0.108","","","","","","1.071","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558236","7.99695","0.00015","9.8077","0.0003","10.8728","0.0002","93.323","0.003","106.818","0.0017","114.09","0.002","729.92","0.03","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.08 H15.08 N2.92 O2 -","- C17.084 H15.084 N2.9156 O2 -","- C34.168 H30.168 N5.8312 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0423","0.037","","","0.1024","0.109","","","","","","1.052","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558237","8.13099","0.00012","9.90773","0.00012","10.90319","0.00014","93.353","0.001","107.021","0.0013","114.161","0.0013","750.13","0.02","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.54 H15.54 N2.46 O2 -","- C17.542 H15.542 N2.458 O2 -","- C35.084 H31.084 N4.916 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0452","0.0398","","","0.1081","0.1131","","","","","","0.991","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558238","8.03047","0.00014","9.82913","0.00017","10.88163","0.00017","93.5015","0.0014","106.735","0.0015","114.029","0.0017","735.48","0.03","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.09 H15.09 N2.91 O2 -","- C17.088 H15.088 N2.9116 O2 -","- C34.176 H30.176 N5.8232 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0465","0.039","","","0.1026","0.1114","","","","","","1.043","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558239","8.01388","0.00015","9.81882","0.00018","10.8766","0.00017","93.4063","0.0014","106.777","0.0015","114.063","0.0018","732.7","0.03","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.07 H15.07 N2.93 O2 -","- C17.072 H15.072 N2.9268 O2 -","- C34.144 H30.144 N5.8536 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0438","0.0376","","","0.1044","0.1123","","","","","","1.045","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558240","8.0886","0.0002","9.8583","0.0002","10.9012","0.0002","93.7995","0.0018","106.674","0.002","113.898","0.002","744.61","0.03","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.05 H15.05 N2.95 O2 -","- C17.05 H15.05 N2.952 O2 -","- C34.1 H30.1 N5.904 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0562","0.0415","","","0.1105","0.1288","","","","","","1.047","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558241","7.98898","0.00012","9.77584","0.00013","10.85419","0.00016","93.7189","0.0012","106.507","0.0014","113.822","0.0014","727.76","0.02","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.46 H14.46 N3.54 O2 -","- C16.46 H14.46 N3.54 O2 -","- C32.92 H28.92 N7.08 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0428","0.0394","","","0.1134","0.1168","","","","","","1.086","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558242","8.17264","0.00014","9.78791","0.00016","10.94559","0.00017","92.4657","0.0013","107.828","0.0015","114.409","0.0016","744.37","0.03","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.34 H14 N2.66 O2 -","- C17.336 H14 N2.664 O2 -","- C34.672 H28 N5.328 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.047","0.0401","","","0.1117","0.1185","","","","","","1.051","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558243","8.1874","0.00015","9.79793","0.00017","10.95147","0.00018","92.5603","0.0014","107.767","0.0016","114.368","0.0017","747.21","0.03","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.31 H14 N2.69 O2 -","- C17.312 H14 N2.688 O2 -","- C34.624 H28 N5.376 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0494","0.0413","","","0.1148","0.1225","","","","","","1.047","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558244","8.15991","0.00018","9.7782","0.0002","10.9363","0.0003","92.3422","0.0018","107.888","0.002","114.448","0.002","741.61","0.04","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.35 H14 N2.65 O2 -","- C17.346 H14 N2.654 O2 -","- C34.692 H28 N5.308 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0457","0.0402","","","0.1123","0.1172","","","","","","1.061","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558245","8.20177","0.00017","9.80593","0.00019","10.9558","0.0002","92.6345","0.0016","107.715","0.0018","114.33","0.0019","749.76","0.03","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.31 H14 N2.69 O2 -","- C17.31 H14 N2.69 O2 -","- C34.62 H28 N5.38 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0502","0.0405","","","0.1143","0.1232","","","","","","1.05","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558246","7.9687","0.0002","9.7664","0.0002","10.8474","0.0002","93.626","0.0017","106.527","0.002","113.856","0.002","724.72","0.03","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.59 H14.59 N3.41 O2 -","- C16.486 H14.486 N3.514 O2 -","- C32.972 H28.972 N7.028 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.042","0.0388","","","0.1084","0.1117","","","","","","1.064","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558247","8.14555","0.00015","9.77001","0.00017","10.9352","0.0002","92.273","0.0014","107.942","0.0016","114.49","0.0017","739.23","0.03","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.35 H14 N2.65 O2 -","- C17.348 H14 N2.652 O2 -","- C34.696 H28 N5.304 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0434","0.0386","","","0.1064","0.1107","","","","","","1.047","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558248","8.13293","0.00019","9.7619","0.0002","10.9275","0.0003","92.167","0.002","107.99","0.002","114.537","0.002","736.68","0.04","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.35 H14 N2.65 O2 -","- C17.354 H14 N2.648 O2 -","- C34.708 H28 N5.296 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0426","0.0382","","","0.1056","0.1091","","","","","","1.066","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558249","8.02672","0.00012","9.79494","0.00016","10.86753","0.00018","93.9195","0.0013","106.46","0.0014","113.719","0.0015","733.83","0.02","270","2","270","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.46 H14.46 N3.54 O2 -","- C16.46 H14.46 N3.54 O2 -","- C32.92 H28.92 N7.08 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0472","0.0422","","","0.1206","0.1254","","","","","","1.063","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558250","8.00509","0.00019","9.78356","0.00018","10.8603","0.0002","93.8151","0.0016","106.48","0.0019","113.764","0.002","730.44","0.03","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.45 H14.45 N3.55 O2 -","- C16.45 H14.45 N3.55 O2 -","- C32.9 H28.9 N7.1 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0455","0.0412","","","0.116","0.1205","","","","","","1.07","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558251","8.04776","0.00011","9.80445","0.00015","10.87711","0.00016","94.0306","0.0012","106.45","0.0013","113.656","0.0014","737.25","0.02","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.46 H14.46 N3.54 O2 -","- C16.458 H14.458 N3.542 O2 -","- C32.916 H28.916 N7.084 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0494","0.0433","","","0.1247","0.1308","","","","","","1.079","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558252","7.9561","0.0002","9.75452","0.00015","10.8395","0.0002","93.5338","0.0016","106.566","0.002","113.885","0.0019","722.05","0.03","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.5 H14.5 N3.5 O2 -","- C16.496 H14.496 N3.504 O2 -","- C32.992 H28.992 N7.008 O4 -","2","1","","Ding, Xiaodan; Unruh, Daniel K.; Groeneman , Ryan; Hutchins, Kristin M.","Controlling thermal expansion within mixed cocrystals by tuning molecular motion capability","Chemical Science","2020","","","","","10.1039/D0SC02795B","","x-ray","1.54178","CuKα","","0.0398","0.0372","","","0.1058","0.1083","","","","","","1.058","","","","has coordinates,has disorder","252960","2020-10-21","18:00:00",""
"1558253","28.78","0.003","10.3596","0.0009","15.8174","0.0013","90","","90.308","0.005","90","","4715.9","0.7","149.9","","149.9","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H25 B F2 N6 -","- C26 H25 B F2 N6 -","- C208 H200 B8 F16 N48 -","8","1","","Wang, Danfeng; Malmberg, Robert; Pernik, Indrek; Prasad, Shyamal K. K.; Roemer, Max; Venkatesan, Koushik; Schmidt, Timothy W.; Keaveney, Sinead T.; Messerle, Barbara A.","Development of tethered dual catalysts: synergy between photo- and transition metal catalysts for enhanced catalysis.","Chemical science","2020","11","24","6256","6267","10.1039/d0sc02703k","","","0.71073","MoKα","","0.0538","0.0395","","","0.1003","0.1108","","","","","","1.066","","","","has coordinates","257284","2020-10-21","18:00:00",""
"1558254","16.4813","0.0008","27.568","0.0013","12.5577","0.0007","90","","104.255","0.002","90","","5530","0.5","149.62","","149.62","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60.5 H61 B2 Cl2 F2 Ir N6 -","- C60.5 H61 B2 Cl2 F2 Ir N6 -","- C242 H244 B8 Cl8 F8 Ir4 N24 -","4","1","","Wang, Danfeng; Malmberg, Robert; Pernik, Indrek; Prasad, Shyamal K. K.; Roemer, Max; Venkatesan, Koushik; Schmidt, Timothy W.; Keaveney, Sinead T.; Messerle, Barbara A.","Development of tethered dual catalysts: synergy between photo- and transition metal catalysts for enhanced catalysis.","Chemical science","2020","11","24","6256","6267","10.1039/d0sc02703k","","","0.71073","MoKα","","0.0491","0.0356","","","0.083","0.0899","","","","","","1.055","","","","has coordinates,has disorder","257284","2020-10-21","18:00:00",""
"1558255","26.308","0.006","7.8235","0.0016","24.123","0.005","90","","112.783","0.014","90","","4577.6","1.8","99","2","99.06","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H25 B F2 N6 -","- C26 H25 B F2 N6 -","- C208 H200 B8 F16 N48 -","8","1","","Wang, Danfeng; Malmberg, Robert; Pernik, Indrek; Prasad, Shyamal K. K.; Roemer, Max; Venkatesan, Koushik; Schmidt, Timothy W.; Keaveney, Sinead T.; Messerle, Barbara A.","Development of tethered dual catalysts: synergy between photo- and transition metal catalysts for enhanced catalysis.","Chemical science","2020","11","24","6256","6267","10.1039/d0sc02703k","","","0.71073","MoKα","","0.0969","0.0577","","","0.1215","0.1402","","","","","","1.028","","","","has coordinates","257284","2020-10-21","18:00:00",""
"1558256","18.4114","0.0015","18.6821","0.0019","22.004","0.002","93.733","0.004","105.248","0.004","113.314","0.003","6582.5","1.1","100","2","99.69","","","","","","","","","7","P -1","-P 1","2","","","","- C61.88 H40.12 B2 F26 Ir N6 O2 -","- C61.875 H40.125 B2 F26 Ir N6 O2 -","- C247.5 H160.5 B8 F104 Ir4 N24 O8 -","4","2","","Wang, Danfeng; Malmberg, Robert; Pernik, Indrek; Prasad, Shyamal K. K.; Roemer, Max; Venkatesan, Koushik; Schmidt, Timothy W.; Keaveney, Sinead T.; Messerle, Barbara A.","Development of tethered dual catalysts: synergy between photo- and transition metal catalysts for enhanced catalysis.","Chemical science","2020","11","24","6256","6267","10.1039/d0sc02703k","","","0.71073","MoKα","","0.0766","0.0526","","","0.1278","0.1432","","","","","","1.037","","","","has coordinates,has disorder","257284","2020-10-21","18:00:00",""
"1558257","12.4966","0.0004","21.3798","0.0007","17.4791","0.0006","90","","99.826","0.003","90","","4601.5","0.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H53 Cl2 P3 Ru -","- C51 H53 Cl2 P3 Ru -","- C204 H212 Cl8 P12 Ru4 -","4","1","","Wang, Zheng; Zhao, Ziwei; Li, Yong; Zhong, Yanxia; Zhang, Qiuyue; Liu, Qingbin; Solan, Gregory; Ma, Yanping; Sun, Wen Hua","Ruthenium-catalyzed Hydrogenation of CO2 as a Route to Methyl Esters for use as Biofuels or fine Chemicals","Chemical Science","2020","","","","","10.1039/D0SC02942D","","","0.71073","MoKα","","0.1426","0.0771","","","0.1831","0.2175","","","","","","1.032","","","","has coordinates","252962","2020-10-21","18:00:00",""
"1558258","19.968","0.004","12.863","0.003","19.229","0.004","90","","105.75","0.03","90","","4753.5","1.9","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H55 Cl2 O5 P3 Ru -","- C52 H55 Cl2 O5 P3 Ru -","- C208 H220 Cl8 O20 P12 Ru4 -","4","1","","Wang, Zheng; Zhao, Ziwei; Li, Yong; Zhong, Yanxia; Zhang, Qiuyue; Liu, Qingbin; Solan, Gregory; Ma, Yanping; Sun, Wen Hua","Ruthenium-catalyzed Hydrogenation of CO2 as a Route to Methyl Esters for use as Biofuels or fine Chemicals","Chemical Science","2020","","","","","10.1039/D0SC02942D","","","0.71073","MoKα","","0.0363","0.0356","","","0.0844","0.0851","","","","","","1.0397","","","","has coordinates,has disorder","252962","2020-10-21","18:00:00",""
"1558259","15.1904","0.0002","15.2935","0.0003","23.3304","0.0004","90","","90","","90","","5419.99","0.16","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H26 Co N4 O2 -","- C34 H26 Co N4 O2 -","- C272 H208 Co8 N32 O16 -","8","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","0.71073","MoKα","","0.0469","0.0355","","","0.0957","0.1006","","","","","","1.033","","","","has coordinates","256047","2020-10-21","18:00:00",""
"1558260","11.1539","0.0003","16.6946","0.0004","14.6989","0.0003","90","","99.257","0.002","90","","2701.43","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Co N4 O2 -","- C34 H24 Co N4 O2 -","- C136 H96 Co4 N16 O8 -","4","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","1.54184","CuKα","","0.08","0.0649","","","0.1669","0.18","","","","","","1.061","","","","has coordinates","256047","2020-10-21","18:00:00",""
"1558261","14.5135","0.0005","16.2562","0.0004","17.4421","0.0008","87.763","0.003","69.624","0.004","70.719","0.003","3627.9","0.3","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H35 Co N4 O4 -","- C38 H35 Co N4 O4 -","- C152 H140 Co4 N16 O16 -","4","2","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","1.54184","CuKα","","0.1157","0.0909","","","0.2336","0.2488","","","","","","1.032","","","","has coordinates","256047","2020-10-21","18:00:00",""
"1558262","10.53544","0.00014","12.59025","0.00016","15.1966","0.0002","79.8711","0.0012","86.4335","0.0012","78.999","0.0011","1947","0.05","155","0.1","155","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C45 H39 Co N2 O5 P -","- C45 H39 Co N2 O5 P -","- C90 H78 Co2 N4 O10 P2 -","2","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","0.71073","MoKα","","0.0599","0.0475","","","0.1278","0.1343","","","","","","1.041","","","","has coordinates,has disorder","256047","2020-10-21","18:00:00",""
"1558263","13.10757","0.00017","22.2355","0.0003","16.9979","0.0002","90","","101.054","0.0014","90","","4862.18","0.11","101","2","101","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H61 Co N2 O6 P -","- C55 H61 Co N2 O6 P -","- C220 H244 Co4 N8 O24 P4 -","4","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","0.71073","MoKα","","0.0618","0.0466","","","0.123","0.1314","","","","","","1.051","","","","has coordinates,has disorder","256047","2020-10-21","18:00:00",""
"1558264","11.6863","0.0007","20.5971","0.0008","19.6222","0.0009","90","","106.514","0.006","90","","4528.3","0.4","101","2","101","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H41 Cl4 Co N6 O3 -","- C53 H41 Cl4 Co N6 O3 -","- C212 H164 Cl16 Co4 N24 O12 -","4","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","1.54184","CuKα","","0.0898","0.067","","","0.1809","0.1965","","","","","","1.017","","","","has coordinates,has disorder","256047","2020-10-21","18:00:00",""
"1558265","10.9148","0.0002","12.216","0.0002","14.515","0.0003","77.378","0.002","74.686","0.002","89.375","0.002","1819.28","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H39 Co N4 O4 -","- C45 H39 Co N4 O4 -","- C90 H78 Co2 N8 O8 -","2","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","0.71073","MoKα","","0.0449","0.0393","","","0.1085","0.1124","","","","","","1.056","","","","has coordinates,has disorder","256047","2020-10-21","18:00:00",""
"1558270","22.6283","0.0013","8.7736","0.0005","18.5643","0.001","90","","105.17","0.002","90","","3557.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70.98 H100.97 Fe2 N4 O7.98 Ti2 -","- C70.916 H100.82 Fe2 N4 O7.96 Ti2 -","- C141.832 H201.64 Fe4 N8 O15.92 Ti4 -","2","0.5","","Doerr, Alicia M.; Burroughs, Justin M.; Legaux, Nicholas M.; Long, Brian K.","Redox-switchable ring-opening polymerization by tridentate ONN-type titanium and zirconium catalysts","Catalysis Science & Technology","2020","10","19","6501","6510","10.1039/D0CY00642D","","","0.71073","MoKα","","0.0582","0.0496","","","0.1381","0.1468","","","","","","1.027","","","","has coordinates,has disorder","258777","2020-11-06","10:41:22",""
"1558271","22.8642","0.0012","9.1582","0.0005","19.4463","0.001","90","","106.447","0.001","90","","3905.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57.63 Fe N2 O4 Zr -","- C39 H57.623 Fe N2 O4 Zr -","- C156 H230.492 Fe4 N8 O16 Zr4 -","4","1","","Doerr, Alicia M.; Burroughs, Justin M.; Legaux, Nicholas M.; Long, Brian K.","Redox-switchable ring-opening polymerization by tridentate ONN-type titanium and zirconium catalysts","Catalysis Science & Technology","2020","10","19","6501","6510","10.1039/D0CY00642D","","","0.71073","MoKα","","0.0437","0.0353","","","0.0841","0.0888","","","","","","1.011","","","","has coordinates,has disorder","258777","2020-11-06","10:41:27",""
"1558272","9.0808","0.0008","9.9464","0.0008","21.5037","0.0018","93.147","0.003","91.175","0.003","115.995","0.002","1741","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.51 H58.93 N2 O4 Zr -","- C31.522 H58.94 N2 O4 Zr -","- C63.044 H117.88 N4 O8 Zr2 -","2","1","","Doerr, Alicia M.; Burroughs, Justin M.; Legaux, Nicholas M.; Long, Brian K.","Redox-switchable ring-opening polymerization by tridentate ONN-type titanium and zirconium catalysts","Catalysis Science & Technology","2020","10","19","6501","6510","10.1039/D0CY00642D","","","0.71073","MoKα","","0.055","0.0459","","","0.1051","0.1102","","","","","","0.918","","","","has coordinates,has disorder","258777","2020-11-06","10:41:27",""
"1558273","26.1034","0.0016","13.6068","0.0008","18.7389","0.0011","90","","90.427","0.002","90","","6655.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H58 N2 O4 Ti -","- C30.5 H57.5 N2 O4 Ti -","- C244 H460 N16 O32 Ti8 -","8","2","","Doerr, Alicia M.; Burroughs, Justin M.; Legaux, Nicholas M.; Long, Brian K.","Redox-switchable ring-opening polymerization by tridentate ONN-type titanium and zirconium catalysts","Catalysis Science & Technology","2020","10","19","6501","6510","10.1039/D0CY00642D","","","0.71073","MoKα","","0.0744","0.0656","","","0.1482","0.1522","","","","","","1.185","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1558274","8.0721","0.0002","15.6353","0.0005","16.4422","0.0005","90","","98.2832","0.0014","90","","2053.52","0.1","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H28 B F4 N2 O2.5 -","- C21 H28 B F4 N2 O2.5 -","- C84 H112 B4 F16 N8 O10 -","4","2","","Turley, Andrew; Danos, Andrew; Prlj, Antonio; Monkman, Andrew P.; Curchod, Basile; McGonigal, Paul R.; Etherington, Marc Kenneth","Modulation of Charge Transfer by N-Alkylation to Control Photoluminescence Energy and Quantum Yield","Chemical Science","2020","","","","","10.1039/D0SC02460K","","x-ray","1.54178","CuKα","","0.0459","0.0424","","","0.0996","0.105","","","","","","1.068","","","","has coordinates,has disorder","253052","2020-10-21","18:00:00",""
"1558275","9.6961","0.0003","10.2407","0.0003","23.6533","0.0008","90","","90","","90","","2348.65","0.13","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 B2 F8 N2 O2 -","- C22 H30 B2 F8 N2 O2 -","- C88 H120 B8 F32 N8 O8 -","4","1","","Turley, Andrew; Danos, Andrew; Prlj, Antonio; Monkman, Andrew P.; Curchod, Basile; McGonigal, Paul R.; Etherington, Marc Kenneth","Modulation of Charge Transfer by N-Alkylation to Control Photoluminescence Energy and Quantum Yield","Chemical Science","2020","","","","","10.1039/D0SC02460K","","x-ray","1.54178","CuKα","","0.0268","0.0256","","","0.0638","0.0651","","","","","","1.067","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1558276","33.189","0.008","10.162","0.003","7.2434","0.0018","90","","90","","90","","2443","1.1","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","3-(pyridin-2-yl)triimidazo[1,2-a:1',2'-c:1'',2''-e][1,3,5]triazine","","- C14 H9 N7 -","- C14 H9 N7 -","- C112 H72 N56 -","8","1","","Cariati, Elena; Lucenti, Elena; Forni, Alessandra; Previtali, Andrea; Marinotto, Daniele; Malpicci, Daniele; Righetto, Stefania; Giannini, Clelia; Virgili, Tersilla; Kabacinski, Piotr; Ganzer, Lucia; Giovanella, Umberto; Botta, Chiara","Unravelling the intricated photophysical behavior of 3-(pyridin-2-yl)triimidazotriazine AIE and RTP polymorphs","Chemical Science","2020","","","","","10.1039/D0SC02459G","","","0.71073","MoKα","","0.0923","0.0497","","","0.1122","0.1334","","","","","","1.059","","","","has coordinates","253053","2020-10-21","18:00:00",""
"1558277","3.7357","0.0018","14.805","0.007","23.784","0.011","90","","90.284","0.007","90","","1315.4","1.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(pyridin-2-yl)triimidazo[1,2-a:1',2'-c:1'',2''-e][1,3,5]triazine","","- C14 H9 N7 O1.7 -","- C14 H9 N7 O1.7 -","- C56 H36 N28 O6.8 -","4","1","","Cariati, Elena; Lucenti, Elena; Forni, Alessandra; Previtali, Andrea; Marinotto, Daniele; Malpicci, Daniele; Righetto, Stefania; Giannini, Clelia; Virgili, Tersilla; Kabacinski, Piotr; Ganzer, Lucia; Giovanella, Umberto; Botta, Chiara","Unravelling the intricated photophysical behavior of 3-(pyridin-2-yl)triimidazotriazine AIE and RTP polymorphs","Chemical Science","2020","","","","","10.1039/D0SC02459G","","","0.71073","MoKα","","0.147","0.0665","","","0.1518","0.1946","","","","","","1","","","","has coordinates","253053","2020-10-21","18:00:00",""
"1558278","18.0949","0.0007","8.8509","0.0004","17.3684","0.0007","90","","117.796","0.001","90","","2460.69","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(pyridin-2-yl)triimidazo[1,2-a:1',2'-c:1'',2''-e][1,3,5]triazine","","- C14 H9 N7 -","- C14 H9 N7 -","- C112 H72 N56 -","8","2","","Cariati, Elena; Lucenti, Elena; Forni, Alessandra; Previtali, Andrea; Marinotto, Daniele; Malpicci, Daniele; Righetto, Stefania; Giannini, Clelia; Virgili, Tersilla; Kabacinski, Piotr; Ganzer, Lucia; Giovanella, Umberto; Botta, Chiara","Unravelling the intricated photophysical behavior of 3-(pyridin-2-yl)triimidazotriazine AIE and RTP polymorphs","Chemical Science","2020","","","","","10.1039/D0SC02459G","","","0.71073","MoKα","","0.0696","0.0468","","","0.1245","0.1415","","","","","","1.028","","","","has coordinates","253053","2020-10-21","18:00:00",""
"1558279","20.0369","0.0008","20.7253","0.0013","37.5767","0.0007","91.916","0.003","97.441","0.002","118.103","0.005","13569.1","1.2","100.01","0.12","100.01","0.12","","","","","","","","4","P -1","-P 1","2","","","","- C198 H88 Au42 F66 -","- C198 H88 Au42 F66 -","- C396 H176 Au84 F132 -","2","1","","Guan, Zong-Jie; Hu, Feng; Li, Jiao-Jiao; Liu, Zi-Rui; Wang, Quan-Ming","Homoleptic alkynyl-protected gold nanoclusters with unusual compositions and structures.","Nanoscale","2020","12","25","13346","13350","10.1039/d0nr02986f","","","1.54184","CuKα","","0.2276","0.1675","","","0.3992","0.446","","","","","","1.323","","","","has coordinates,has disorder","253933","2020-10-21","18:00:00",""
"1558280","17.5491","0.0003","38.753","0.0008","32.9349","0.001","90","","91.332","0.002","90","","22392.3","0.9","99.99","0.13","99.99","0.13","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C208 H104 Au50 F26 -","- C208 H104 Au50 F26 -","- C832 H416 Au200 F104 -","4","1","","Guan, Zong-Jie; Hu, Feng; Li, Jiao-Jiao; Liu, Zi-Rui; Wang, Quan-Ming","Homoleptic alkynyl-protected gold nanoclusters with unusual compositions and structures.","Nanoscale","2020","12","25","13346","13350","10.1039/d0nr02986f","","x-ray","1.54184","CuKα","","0.1148","0.0984","","","0.2644","0.2777","","","","","","1.05","","","","has coordinates","253933","2020-10-21","18:00:00",""
"1558281","10.907","0.0008","18.8993","0.0014","21.6608","0.0015","90","","90","","90","","4465","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzyl-3-methylimidazolium bromide","","- C11 H13 Br N2 -","- C11 H13 Br N2 -","- C176 H208 Br16 N32 -","16","2","IM4007","Peppel, Tim; Wulf, Christoph; Spannenberg, Anke","1-Benzyl-3-methylimidazolium bromide","IUCrData","2020","5","6","","","10.1107/S2414314620007683","","","0.71073","MoKα","","0.0277","0.0203","","","0.0481","0.0509","","","","","","1.027","","","","has coordinates,has Fobs","253063","2020-10-21","18:00:00",""
"1558282","16.6707","0.0014","9.3051","0.0009","13.8903","0.0013","90","","107.808","0.003","90","","2051.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O5 -","- C23 H21 N O5 -","- C92 H84 N4 O20 -","4","1","","Yang, Ping; Zheng, Chao; Nie, Yu-Han; You, Shuli","Palladium-Catalyzed Dearomative 1,4-Difunctionalization of Naphthalenes","Chemical Science","2020","","","","","10.1039/D0SC02816A","","","0.71073","MoKα","","0.0854","0.0502","","","0.115","0.1388","","","","","","1.051","","","","has coordinates","253075","2020-10-21","18:00:00",""
"1558283","12.8388","0.0004","11.4187","0.0004","13.7487","0.0004","90","","113.469","0.001","90","","1848.85","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O -","- C24 H20 N2 O -","- C96 H80 N8 O4 -","4","1","","Yang, Ping; Zheng, Chao; Nie, Yu-Han; You, Shuli","Palladium-Catalyzed Dearomative 1,4-Difunctionalization of Naphthalenes","Chemical Science","2020","","","","","10.1039/D0SC02816A","","","0.71073","MoKα","","0.0531","0.0415","","","0.111","0.122","","","","","","1.015","","","","has coordinates","253075","2020-10-21","18:00:00",""
"1558284","24.4252","0.0001","10.9277","0.0001","40.2845","0.0002","90","","107.399","0.001","90","","10260.4","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C99 H144 K4 Si8 Th2 -","- C99 H144 K4 Si8 Th2 -","- C396 H576 K16 Si32 Th8 -","4","1","","Boronski, Josef; Wooles, Ashley; Liddle, Stephen","Heteroleptic Actinocenes: A Thorium(IV)-Cyclobutadienyl-Cyclooctatetraenyl-Di-Potassium-Cyclooctatetraenyl Complex","Chemical Science","2020","","","","","10.1039/D0SC02479A","","x-ray","1.54184","CuKα","","0.0259","0.0251","","","0.0633","0.0637","","","","","","1.069","","","","has coordinates,has disorder","253076","2020-10-21","18:00:00",""
"1558285","12.5498","0.0014","9.3561","0.001","20.332","0.002","90","","93.893","0.002","90","","2381.8","0.4","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C46 H40 N2 O6 -","- C46 H40 N2 O6 -","- C92 H80 N4 O12 -","2","0.5","","Hu, Xiaofan; Mu, Hongliang; Miao, Jie; Lu, Yao; Wang, Xianwei; Meng, Xiangsheng; Wang, Zhen; Yan, Jingling","Synthesis and gas separation performance of intrinsically microporous polyimides derived from sterically hindered binaphthalenetetracarboxylic dianhydride","Polymer Chemistry","2020","11","25","4172","4179","10.1039/D0PY00594K","","","0.71073","MoKα","","0.0801","0.054","","","0.148","0.1669","","","","","","1.028","","","","has coordinates","257942","2020-10-21","18:00:00",""
"1558288","9.1596","0.0009","9.9432","0.0009","17.9178","0.0016","90","","90","","90","","1631.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C76 H112 O12 -","4","1","","Li, Fengli; Lin, Shuang; Zhang, Sitian; Pan, Lifen; Chai, Chenwei; Su, Jun-Cheng; Yang, Beiye; Liu, Junjun; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Modified Fusicoccane-Type Diterpenoids from <i>Alternaria brassicicola</i>.","Journal of natural products","2020","83","6","1931","1938","10.1021/acs.jnatprod.0c00165","","","1.54178","CuKα","","0.032","0.0319","","","0.1016","0.1019","","","","","","0.955","","","","has coordinates","253729","2020-10-21","18:00:00",""
"1558289","10.9785","0.0001","7.5525","0.0001","11.4085","0.0001","90","","99.327","0.001","90","","933.431","0.017","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C42 H56 O10 -","2","1","","Li, Fengli; Lin, Shuang; Zhang, Sitian; Pan, Lifen; Chai, Chenwei; Su, Jun-Cheng; Yang, Beiye; Liu, Junjun; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Modified Fusicoccane-Type Diterpenoids from <i>Alternaria brassicicola</i>.","Journal of natural products","2020","83","6","1931","1938","10.1021/acs.jnatprod.0c00165","","","1.54178","CuKα","","0.0324","0.0321","","","0.0858","0.086","","","","","","1.097","","","","has coordinates","253729","2020-10-21","18:00:00",""
"1558290","24.6944","0.0013","12.1525","0.0007","24.3587","0.0018","90","","119.085","0.001","90","","6388.2","0.7","90","","90","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","PrL2","","- C27 H25 F6 N9 O6 P Pr -","- C27 H25 F6 N9 O6 P Pr -","- C216 H200 F48 N72 O48 P8 Pr8 -","8","1","","Hasegawa, Miki; Sakurai, Shoya; Yamaguchi, Masafumi Andrew; Iwasawa, Daichi; Yajima, Naho; Ogata, Shuhei; Inazuka, Yudai; Ishii, Ayumi; Suzuki, Kengo","Aspects of lanthanide complexes for selectivity, intensity and sharpness in luminescence bands from twenty-four praseodymium, europium and gadolinium complexes with differently distorted-hexadentate ligands.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","8","1054","1062","10.1039/d0pp00069h","","","0.71073","MoKα","","0.036","0.0344","","","0.0751","0.0758","","","","","","1.224","","","","has coordinates","256184","2020-10-21","18:00:00",""
"1558291","11.2569","0.0006","12.6567","0.0007","13.684","0.0008","63.881","0.001","88.073","0.001","85.069","0.001","1744.04","0.17","90","","90","","","","","","","","","7","P -1","-P 1","2","","PrL3","","- C29 H29 F6 N9 O6 P Pr -","- C29 H29 F6 N9 O6 P Pr -","- C58 H58 F12 N18 O12 P2 Pr2 -","2","1","","Hasegawa, Miki; Sakurai, Shoya; Yamaguchi, Masafumi Andrew; Iwasawa, Daichi; Yajima, Naho; Ogata, Shuhei; Inazuka, Yudai; Ishii, Ayumi; Suzuki, Kengo","Aspects of lanthanide complexes for selectivity, intensity and sharpness in luminescence bands from twenty-four praseodymium, europium and gadolinium complexes with differently distorted-hexadentate ligands.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","8","1054","1062","10.1039/d0pp00069h","","","0.71073","MoKα","","0.0294","0.0276","","","0.0683","0.0696","","","","","","1.035","","","","has coordinates","256184","2020-10-21","18:00:00",""
"1558292","13.2587","0.0014","11.8157","0.0012","20.586","0.002","90","","96.707","0.001","90","","3202.9","0.6","90","","90","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 F6 N9 O6 P Pr -","- C27 H25 F6 N9 O6 P Pr -","- C108 H100 F24 N36 O24 P4 Pr4 -","4","1","","Hasegawa, Miki; Sakurai, Shoya; Yamaguchi, Masafumi Andrew; Iwasawa, Daichi; Yajima, Naho; Ogata, Shuhei; Inazuka, Yudai; Ishii, Ayumi; Suzuki, Kengo","Aspects of lanthanide complexes for selectivity, intensity and sharpness in luminescence bands from twenty-four praseodymium, europium and gadolinium complexes with differently distorted-hexadentate ligands.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","8","1054","1062","10.1039/d0pp00069h","","","0.71073","MoKα","","0.0615","0.0571","","","0.1392","0.1416","","","","","","1.077","","","","has coordinates","256184","2020-10-21","18:00:00",""
"1558293","8.9374","0.0005","12.2439","0.0006","16.3426","0.0009","110.156","0.001","105.64","","92.586","0.001","1597.71","0.15","90","","90","","","","","","","","","7","P -1","-P 1","2","","PrL","","- C26 H23 F6 N9 O6 P Pr -","- C26 H23 F6 N9 O6 P Pr -","- C52 H46 F12 N18 O12 P2 Pr2 -","2","1","","Hasegawa, Miki; Sakurai, Shoya; Yamaguchi, Masafumi Andrew; Iwasawa, Daichi; Yajima, Naho; Ogata, Shuhei; Inazuka, Yudai; Ishii, Ayumi; Suzuki, Kengo","Aspects of lanthanide complexes for selectivity, intensity and sharpness in luminescence bands from twenty-four praseodymium, europium and gadolinium complexes with differently distorted-hexadentate ligands.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","8","1054","1062","10.1039/d0pp00069h","","","0.71073","MoKα","","0.0302","0.0295","","","0.0814","0.0819","","","","","","1.075","","","","has coordinates","256184","2020-10-21","18:00:00",""
"1558294","13.2647","0.0009","11.7465","0.0008","20.5653","0.0014","90","","96.906","0.001","90","","3181.1","0.4","90","","90","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 Eu F6 N9 O6 P -","- C27 H25 Eu F6 N9 O6 P -","- C108 H100 Eu4 F24 N36 O24 P4 -","4","1","","Hasegawa, Miki; Sakurai, Shoya; Yamaguchi, Masafumi Andrew; Iwasawa, Daichi; Yajima, Naho; Ogata, Shuhei; Inazuka, Yudai; Ishii, Ayumi; Suzuki, Kengo","Aspects of lanthanide complexes for selectivity, intensity and sharpness in luminescence bands from twenty-four praseodymium, europium and gadolinium complexes with differently distorted-hexadentate ligands.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","8","1054","1062","10.1039/d0pp00069h","","","0.71073","MoKα","","0.0201","0.0192","","","0.0493","0.0497","","","","","","1.052","","","","has coordinates","256184","2020-10-21","18:00:00",""
"1558295","16.7522","0.0018","14.5415","0.0015","25.718","0.003","90","","90","","90","","6265","1.2","90","","90","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H26 Eu F6 N8 O6 P -","- C27 H26 Eu F6 N8 O6 P -","- C216 H208 Eu8 F48 N64 O48 P8 -","8","1","","Hasegawa, Miki; Sakurai, Shoya; Yamaguchi, Masafumi Andrew; Iwasawa, Daichi; Yajima, Naho; Ogata, Shuhei; Inazuka, Yudai; Ishii, Ayumi; Suzuki, Kengo","Aspects of lanthanide complexes for selectivity, intensity and sharpness in luminescence bands from twenty-four praseodymium, europium and gadolinium complexes with differently distorted-hexadentate ligands.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","8","1054","1062","10.1039/d0pp00069h","","","0.71073","MoKα","","0.0283","0.0228","","","0.0534","0.0565","","","","","","1.026","","","","has coordinates","256184","2020-10-21","18:00:00",""
"1558296","16.9463","0.0003","24.3235","0.0004","17.9675","0.0003","90","","98.7581","0.0015","90","","7319.7","0.2","120","0.1","120","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound 1.3THF","[{(py)U(OH)2U(O2C6H4)(py)}(LA)]","","- C86 H88 N10 O7 U2 -","- C86 H88 N10 O7 U2 -","- C344 H352 N40 O28 U8 -","4","0.5","","Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise","Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex","Chemical Science","2020","","","","","10.1039/D0SC02297G","","","0.71073","MoKα","","0.0514","0.0336","","","0.057","0.0615","","","","","","1.034","","","","has coordinates,has disorder","253137","2020-10-21","18:00:00",""
"1558297","14.0058","0.0003","21.7361","0.0005","14.7736","0.0003","90","","105.395","0.002","90","","4336.17","0.17","120","0.1","120","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Compound 6.solvent","[{(py)U(Cl)2U(O2C6H4)(py)}(LA)]","","- C74 H62 Cl2 N10 O2 U2 -","- C74 H62 Cl2 N10 O2 U2 -","- C148 H124 Cl4 N20 O4 U4 -","2","0.5","","Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise","Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex","Chemical Science","2020","","","","","10.1039/D0SC02297G","","","0.71073","MoKα","","0.0632","0.0382","","","0.0746","0.0814","","","","","","1.022","","","","has coordinates,has disorder","253137","2020-10-21","18:00:00",""
"1558298","12.2163","0.0005","13.1548","0.0005","21.1659","0.001","77.753","0.004","76.263","0.004","72.589","0.004","3116","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Compound 8.solvent","[{(py)ClUOUCl(py)}(LA)]","","- C68 H58 Cl2 N10 O U2 -","- C68 H58 Cl2 N10 O U2 -","- C136 H116 Cl4 N20 O2 U4 -","2","1","","Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise","Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex","Chemical Science","2020","","","","","10.1039/D0SC02297G","","","0.71073","MoKα","","0.0858","0.059","","","0.1139","0.1241","","","","","","1.054","","","","has coordinates","253137","2020-10-21","18:00:00",""
"1558299","14.6146","0.0003","16.3896","0.0004","18.1536","0.0004","77.518","0.002","78.699","0.002","82.007","0.002","4141.91","0.17","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","Compound 5A.3dme","[{(py)U(u-F)(u-OBcat)U(u-O2C6H4)(py)}(LA)]","","- C92 H96 B F N10 O11 U2 -","- C92 H96 B F N10 O11 U2 -","- C184 H192 B2 F2 N20 O22 U4 -","2","1","","Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise","Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex","Chemical Science","2020","","","","","10.1039/D0SC02297G","","","0.71073","MoKα","","0.0701","0.0407","","","0.0746","0.0838","","","","","","1.045","","","","has coordinates,has disorder","253137","2020-10-21","18:00:00",""
"1558300","10.6363","0.0006","14.9997","0.0008","21.8493","0.0012","90.546","0.004","102.195","0.005","94.113","0.005","3397.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Compound 2.C6H6","[{(py)U(OMe)1.69(OH)0.31U(O2C6H4)(py)}(LA)]","","- C81.69 H73.06 N10 O4 U2 -","- C81.687 H73.061 N10 O4 U2 -","- C163.374 H146.122 N20 O8 U4 -","2","1","","Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise","Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex","Chemical Science","2020","","","","","10.1039/D0SC02297G","","","0.71073","MoKα","","0.0856","0.052","","","0.0629","0.07","","","","","","1.019","","","","has coordinates,has disorder","253137","2020-10-21","18:00:00",""
"1558301","13.7332","0.0002","17.5327","0.0003","18.0598","0.0003","77.619","0.001","85.469","0.001","88.925","0.001","4234.03","0.12","120","1","120","1","","","","","","","","6","P -1","-P 1","2","Compound 3.5py","[{(py)U(S2)U(O2C6H4)(py)}(LA)]","","- C99 H88 N15 O2 S2 U2 -","- C99 H88 N15 O2 S2 U2 -","- C198 H176 N30 O4 S4 U4 -","2","1","","Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise","Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex","Chemical Science","2020","","","","","10.1039/D0SC02297G","","","0.71073","MoKα","","0.0861","0.0385","","","0.0481","0.0511","","","","","","0.765","","","","has coordinates,has disorder","253137","2020-10-21","18:00:00",""
"1558302","10.9153","0.0002","19.1212","0.0004","34.2194","0.0006","90","","92.935","0.002","90","","7132.7","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Compound 4.2CH2Cl2","[{(py)U(u-Se2)U(u-O2C6H4)(py)}(LA)]","","- C76 H66 Cl4 N10 O2 Se2 U2 -","- C76 H66 Cl4 N10 O2 Se2 U2 -","- C304 H264 Cl16 N40 O8 Se8 U8 -","4","1","","Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise","Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex","Chemical Science","2020","","","","","10.1039/D0SC02297G","","","0.71073","MoKα","","0.0559","0.0424","","","0.0749","0.0787","","","","","","1.064","","","","has coordinates,has disorder","253137","2020-10-21","18:00:00",""
"1558303","17.5381","0.0004","26.228","0.0006","17.8435","0.0004","90","","91.942","0.002","90","","8203.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Compound 5.4py","[{(py)U(u-F)2U(u-O2C6H4)(py)}(LA)]","","- C94 H82 F2 N14 O2 U2 -","- C94 H82 F2 N14 O2 U2 -","- C376 H328 F8 N56 O8 U8 -","4","1","","Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise","Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex","Chemical Science","2020","","","","","10.1039/D0SC02297G","","","0.71073","MoKα","","0.0758","0.0449","","","0.0707","0.0784","","","","","","1.011","","","","has coordinates,has disorder","253137","2020-10-21","18:00:00",""
"1558304","24.325","0.0009","9.9336","0.0004","28.2901","0.0012","90","","104.953","0.0014","90","","6604.4","0.5","250","2","250","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","JL-376-1_250K","","","- C36 H29 B F2 N2 O0.5 -","- C36 H29 B F2 N2 O0.5 -","- C288 H232 B8 F16 N16 O4 -","8","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.139","0.0746","","","0.2262","0.2774","","","","","","1.051","","","","has coordinates,has disorder","258779","2020-11-06","11:30:40",""
"1558305","11.6062","0.0005","32.6033","0.001","7.6374","0.0003","90","","108.632","0.002","90","","2738.53","0.18","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","JL376-21_250K","","","- C34 H25 B F2 N2 -","- C34 H25 B F2 N2 -","- C136 H100 B4 F8 N8 -","4","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.091","0.0497","","","0.1316","0.1607","","","","","","1.099","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558306","12.5426","0.0005","41.2031","0.0015","13.9741","0.0005","90","","115.881","0.001","90","","6497.4","0.4","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","JL376_1_250K","","","- C44 H33 B F2 N2 -","- C44 H33 B F2 N2 -","- C352 H264 B8 F16 N16 -","8","2","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.0862","0.0466","","","0.1442","0.1878","","","","","","1.039","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558307","20.361","0.006","16.095","0.005","23.355","0.007","90","","114.048","0.007","90","","6989","4","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","JL364-68.MOR_200K","","","- C48 H38 N2 O2 -","- C48 H38 N2 O2 -","- C384 H304 N16 O16 -","8","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.2306","0.0729","","","0.1629","0.2629","","","","","","1.003","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558308","10.1937","0.0006","11.001","0.0006","14.28","0.0007","105.446","0.003","103.611","0.003","94.765","0.003","1481.92","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","JL376-11","","","- C36 H29 B F2 N2 -","- C36 H29 B F2 N2 -","- C72 H58 B2 F4 N4 -","2","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.1582","0.0561","","","0.1473","0.2279","","","","","","1.031","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558309","14.395","0.004","14.038","0.003","18.526","0.005","90","","108.639","0.011","90","","3547.3","1.6","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","JL376-5_250K","","","- C36 H29 B F2 N2 -","- C36 H29 B F2 N2 -","- C144 H116 B4 F8 N8 -","4","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.1716","0.0962","","","0.2819","0.3532","","","","","","1.03","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558310","7.916","0.0014","10.089","0.002","15.968","0.003","79.032","0.011","88.721","0.01","85.253","0.01","1247.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","JL376-21DEHIDRO","","","- C31 H25 B F2 N2 -","- C31 H25 B F2 N2 -","- C62 H50 B2 F4 N4 -","2","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.0602","0.044","","","0.1348","0.1632","","","","","","1.031","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558311","16.0345","0.0007","8.5128","0.0004","17.8694","0.0007","90","","93.426","0.002","90","","2434.79","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","JL376-22DEH_200K","","","- C31 H25 B F2 N2 -","- C31 H25 B F2 N2 -","- C124 H100 B4 F8 N8 -","4","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.0464","0.0369","","","0.0984","0.1078","","","","","","1.052","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558312","21.0905","0.0005","18.983","0.0006","8.7486","0.0003","90","","90","","90","","3502.6","0.18","250","2","250","2","","","","","","","","5","P n m a","-P 2ac 2n","62","JL376-26_250K","","","- C46 H33 B F2 N2 -","- C46 H33 B F2 N2 -","- C184 H132 B4 F8 N8 -","4","0.5","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.0808","0.0421","","","0.1233","0.178","","","","","","1.056","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558313","17.6517","0.0004","17.6517","0.0004","36.5175","0.001","90","","90","","90","","11378.2","0.5","250","2","250","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","JL376-17_250K","","","- C36 H29 B F2 N2 -","- C36 H29 B F2 N2 -","- C576 H464 B16 F32 N32 -","16","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.0632","0.0378","","","0.0988","0.1486","","","","","","1.01","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558314","7.4833","0.0005","14.4445","0.001","19.1563","0.001","111.599","0.003","95.542","0.003","94.737","0.003","1900.6","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","JL363-68_200K","","","- C48 H37 B F2 N2 O2 -","- C48 H37 B F2 N2 O2 -","- C96 H74 B2 F4 N4 O4 -","2","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.1122","0.0528","","","0.1404","0.1859","","","","","","1.064","","","","has coordinates,has disorder","258779","2020-11-06","11:30:41",""
"1558315","6.241","0.005","5.293","0.004","15.726","0.009","90","","101.19","0.02","90","","509.6","0.6","293","2","293.63","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H12 N2 O5 -","- C9 H12 N2 O5 -","- C18 H24 N4 O10 -","2","1","","Singh, Pijush; Misra, Souvik; Sepay, Nayim; Mondal, Sanjoy; Ray, Debes; Aswal, Vinod K.; Nanda, Jayanta","Self-assembling behaviour of a modified aromatic amino acid in competitive medium.","Soft matter","2020","16","28","6599","6607","10.1039/d0sm00584c","","","0.71073","MoKα","","0.0794","0.0772","","","0.1973","0.201","","","","","","1.071","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1558316","7.7611","0.0004","7.2894","0.0004","24.0331","0.0013","90","","93.5573","0.0012","90","","1357.02","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1 JSloop","(<i>E</i>)-2-(3,5-Dimethoxybenzylidene)indan-1-one","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","BT4094","Encarnacion-Thomas, Elvia; Sommer, Roger D.; Mallia, Ajay; Sloop, Joseph","(<i>E</i>)-2-(3,5-Dimethoxybenzylidene)indan-1-one","IUCrData","2020","5","6","x200759","","10.1107/S2414314620007592","","","0.71073","MoKα","","0.0612","0.0437","","","0.1136","0.1232","","","","","","1.023","","","","has coordinates,has Fobs","253149","2020-10-21","18:00:00",""
"1558317","6.12766","0.00015","20.247","0.0005","10.0261","0.0002","90","","94.623","0.002","90","","1239.86","0.05","103.1","","103.1","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H20 F8 N4 O5 S -","- C20 H20 F8 N4 O5 S -","- C40 H40 F16 N8 O10 S2 -","2","1","","Zhang, Chen; Ye, Fei; Wang, Jianmin; He, Ping; Lei, Ming; Huang, Longbin; Huang, Anbang; Tang, Pingming; Lin, Hongjun; Liao, Yuting; Liang, Yong; Ni, Jia; Yan, Pangke","Design, Synthesis, and Evaluation of a Series of Novel Super Long-Acting DPP-4 Inhibitors for the Treatment of Type 2 Diabetes.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.0c00374","","","1.5418","CuKα","","0.0377","0.0364","","","0.0942","0.0959","","","","","","1.036","","","","has coordinates","253154","2020-10-21","18:00:00",""
"1558318","18.754","0.0002","9.0751","0.0001","26.1928","0.0003","90","","102.75","0.001","90","","4347.95","0.08","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O7 -","- C22 H27 N O7 -","- C176 H216 N8 O56 -","8","4","","Stakanovs, Georgijs; Mishnev, Anatoly; Rasina, Dace; Jirgensons, Aigars","A Concise Bioinspired Semisynthesis of Rumphellaones A-C and Their C-8 Epimers from β-Caryophyllene.","Journal of natural products","2020","83","6","2004","2009","10.1021/acs.jnatprod.0c00403","","","1.54184","CuKα","","0.0599","0.0563","","","0.1695","0.1765","","","","","","1.027","","","","has coordinates","253727","2020-10-21","18:00:00",""
"1558319","5.8085","0.0003","7.3835","0.0004","33.4086","0.0017","90","","90","","90","","1432.8","0.13","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Stakanovs, Georgijs; Mishnev, Anatoly; Rasina, Dace; Jirgensons, Aigars","A Concise Bioinspired Semisynthesis of Rumphellaones A-C and Their C-8 Epimers from β-Caryophyllene.","Journal of natural products","2020","83","6","2004","2009","10.1021/acs.jnatprod.0c00403","","","1.54184","CuKα","","0.0312","0.0307","","","0.0828","0.0832","","","","","","1.069","","","","has coordinates","253727","2020-10-21","18:00:00",""
"1558320","10.1578","0.0019","11.4859","0.0018","14.985","0.003","90","","106.365","0.017","90","","1677.5","0.5","300","2","300.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","sql-1,3-Co-NCS","","","- C24 H16 Co N10 S2 -","- C24 H16 Co N10 S2 -","- C48 H32 Co2 N20 S4 -","2","0.5","","Zaworotko, Michael; Kumar, Naveen; Chang, Ze; Yu, Mei-Hui; Kumar, Amrit; O’Nolan, Daniel; Bu, Xian-He; Patyk-Kaźmierczak, Ewa; Bezrukov, Andrey A.; Mukherjee, Soumya; Wang, Shi-Qiang","Crystal engineering of a rectangular sql coordination network to enable xylenes selectivity over ethylbenzene","Chemical Science","2020","","","","","10.1039/D0SC02123G","","","1.54178","CuKα","","0.2123","0.1287","","","0.3214","0.3547","","","","","","1.071","","","","has coordinates,has disorder","253188","2020-10-21","18:00:00",""
"1558321","13.6994","0.0005","20.4799","0.0007","21.1055","0.0007","78.892","0.002","73.265","0.002","79.327","0.002","5511.1","0.3","150","2","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H72 Co2 N28 S4 -","- C84 H72 Co2 N28 S4 -","- C168 H144 Co4 N56 S8 -","2","1","","Zaworotko, Michael; Kumar, Naveen; Chang, Ze; Yu, Mei-Hui; Kumar, Amrit; O’Nolan, Daniel; Bu, Xian-He; Patyk-Kaźmierczak, Ewa; Bezrukov, Andrey A.; Mukherjee, Soumya; Wang, Shi-Qiang","Crystal engineering of a rectangular sql coordination network to enable xylenes selectivity over ethylbenzene","Chemical Science","2020","","","","","10.1039/D0SC02123G","","","1.54178","CuKα","","0.2223","0.1356","","","0.3066","0.3684","","","","","","1.039","","","","has coordinates,has disorder","253188","2020-10-21","18:00:00",""
"1558322","24.756","0.002","11.4713","0.0009","14.4235","0.0013","90","","100.226","0.004","90","","4031","0.6","298","2","298.32","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sql-1,3-Co-NCS.2MX","","","- C40 H36 Co N10 S2 -","- C40 H36 Co N10 S2 -","- C160 H144 Co4 N40 S8 -","4","0.5","","Zaworotko, Michael; Kumar, Naveen; Chang, Ze; Yu, Mei-Hui; Kumar, Amrit; O’Nolan, Daniel; Bu, Xian-He; Patyk-Kaźmierczak, Ewa; Bezrukov, Andrey A.; Mukherjee, Soumya; Wang, Shi-Qiang","Crystal engineering of a rectangular sql coordination network to enable xylenes selectivity over ethylbenzene","Chemical Science","2020","","","","","10.1039/D0SC02123G","","","1.54178","CuKα","","0.0678","0.0557","","","0.1084","0.1118","","","","","","1.188","","","","has coordinates","253188","2020-10-21","18:00:00",""
"1558323","21.7573","0.0004","21.7573","0.0004","20.5483","0.0005","90","","90","","90","","9727.2","0.3","150","2","150.15","","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C42 H36 Co N14 S2 -","- C42 H36 Co N14 S2 -","- C336 H288 Co8 N112 S16 -","8","1","","Zaworotko, Michael; Kumar, Naveen; Chang, Ze; Yu, Mei-Hui; Kumar, Amrit; O’Nolan, Daniel; Bu, Xian-He; Patyk-Kaźmierczak, Ewa; Bezrukov, Andrey A.; Mukherjee, Soumya; Wang, Shi-Qiang","Crystal engineering of a rectangular sql coordination network to enable xylenes selectivity over ethylbenzene","Chemical Science","2020","","","","","10.1039/D0SC02123G","","","1.54178","CuKα","","0.1583","0.1192","","","0.2673","0.2908","","","","","","1.066","","","","has coordinates,has disorder","253188","2020-10-21","18:00:00",""
"1558324","20.881","0.0011","14.7201","0.0009","8.7578","0.0005","90","","90","","90","","2691.9","0.3","300","2","300.13","","","","","","","","","5","C m c e","-C 2ac 2","64","sql-3-Co-NCS","","","- C26 H16 Co N14 S2 -","- C26 H16 Co N14 S2 -","- C104 H64 Co4 N56 S8 -","4","0.25","","Zaworotko, Michael; Kumar, Naveen; Chang, Ze; Yu, Mei-Hui; Kumar, Amrit; O’Nolan, Daniel; Bu, Xian-He; Patyk-Kaźmierczak, Ewa; Bezrukov, Andrey A.; Mukherjee, Soumya; Wang, Shi-Qiang","Crystal engineering of a rectangular sql coordination network to enable xylenes selectivity over ethylbenzene","Chemical Science","2020","","","","","10.1039/D0SC02123G","","","1.54178","CuKα","","0.0788","0.0519","","","0.1278","0.1458","","","","","","1.069","","","","has coordinates","253188","2020-10-21","18:00:00",""
"1558325","24.8225","0.0012","11.4779","0.0005","14.301","0.0007","90","","100.423","0.003","90","","4007.3","0.3","301","2","301","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sql-1,3-Co-NCS.2PX","","","- C40 H36 Co N10 S2 -","- C40 H36 Co N10 S2 -","- C160 H144 Co4 N40 S8 -","4","0.5","","Zaworotko, Michael; Kumar, Naveen; Chang, Ze; Yu, Mei-Hui; Kumar, Amrit; O’Nolan, Daniel; Bu, Xian-He; Patyk-Kaźmierczak, Ewa; Bezrukov, Andrey A.; Mukherjee, Soumya; Wang, Shi-Qiang","Crystal engineering of a rectangular sql coordination network to enable xylenes selectivity over ethylbenzene","Chemical Science","2020","","","","","10.1039/D0SC02123G","","","1.54178","CuKα","","0.0819","0.0562","","","0.1318","0.1458","","","","","","1.038","","","","has coordinates","253188","2020-10-21","18:00:00",""
"1558326","10.1782","0.0006","10.3488","0.0005","16.3633","0.0011","82.027","0.003","74.303","0.004","82.556","0.003","1635.59","0.17","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H55 Ir N2 P2 -","- C32 H55 Ir N2 P2 -","- C64 H110 Ir2 N4 P4 -","2","1","","Smith, Joel; Durrant, George; Ess, Daniel H.; Gelfand, Benjamin Sidney; Piers, Warren","H/D Exchange Under Mild Conditions in Arenes and Unactivated Alkanes with C6D6 and D2O Using Rigid, Electron-rich Iridium PCP Pincer Complexes","Chemical Science","2020","","","","","10.1039/D0SC02694H","","","0.71073","MoKα","","0.0671","0.0484","","","0.0989","0.1081","","","","","","0.988","","","","has coordinates","253189","2020-10-21","18:00:00",""
"1558327","10.1805","0.0007","22.3462","0.0015","31.76","0.002","90","","90","","90","","7225.3","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H55 Ir N2 P2 -","- C38 H55 Ir N2 P2 -","- C304 H440 Ir8 N16 P16 -","8","1","","Smith, Joel; Durrant, George; Ess, Daniel H.; Gelfand, Benjamin Sidney; Piers, Warren","H/D Exchange Under Mild Conditions in Arenes and Unactivated Alkanes with C6D6 and D2O Using Rigid, Electron-rich Iridium PCP Pincer Complexes","Chemical Science","2020","","","","","10.1039/D0SC02694H","","","0.71073","MoKα","","0.0534","0.0335","","","0.0609","0.068","","","","","","1.076","","","","has coordinates","253189","2020-10-21","18:00:00",""
"1558328","21.561","0.003","35.637","0.005","11.1216","0.0017","90","","90","","90","","8545","2","200","2","200","2","","","","","","","","5","F d d 2","F 2 -2d","43","","catena-poly[aqua(mu-4,4'-bipyridine)(mu-acetato)(uracil-1-acetato)copper(II)] trihydrate","","- C18 H22 Cu N4 O9 -","- C18 H22 Cu N4 O9 -","- C288 H352 Cu16 N64 O144 -","16","1","","Vegas, V. G.; Beobide, G.; Castillo, O.; Reyes, E.; Gómez-García, C J; Zamora, F.; Amo-Ochoa, P","A bioinspired metal-organic approach to cross-linked functional 3D nanofibrous hydro- and aero-gels with effective mixture separation of nucleobases by molecular recognition.","Nanoscale","2020","12","27","14699","14707","10.1039/d0nr04166a","","","0.71073","MoKα","","0.1089","0.057","","","0.1185","0.1395","","","","","","1.034","","","","has coordinates","255031","2020-10-21","18:00:00",""
"1558329","5.5734","0.0004","9.2537","0.0009","14.2547","0.0012","91.995","0.007","99.103","0.006","95.567","0.007","721.56","0.11","296","1","296","1","","","","","","","","5","P 1","P 1","1","","Ethyl (3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-3-{(3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-5-oxoisoxazolidin-2-yl}propanoate chloroform monosolvate","","- C23 H34 Cl3 N O12 -","- C23 H34 Cl3 N O12 -","- C23 H34 Cl3 N O12 -","1","1","BX4018","Amaro Hernández, Aldo Guillermo; Rodríguez Tzompantzi, Tomasa; Dávila García, Álvaro; Meza-León, Rosa Luisa; Bernès, Sylvain","Ethyl (3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-3-{(3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-5-oxoisoxazolidin-2-yl}propanoate chloroform monosolvate","IUCrData","2020","5","6","x200788","","10.1107/S2414314620007889","","x-ray","0.56083","AgKα","","0.0606","0.0476","","","0.1275","0.1344","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","253204","2020-10-21","18:00:00",""
"1558330","9.9641","0.0009","10.2338","0.0009","23.541","0.002","90","","100.086","0.002","90","","2363.4","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-{4,6-dimethoxy-2-[(<i>E</i>)-4-methoxystyryl]-3-methylphenyl}-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one","","- C28 H28 O6 -","- C28 H28 O6 -","- C112 H112 O24 -","4","1","HB4350","Yoo, Miri; Koh, Dongsoo","(<i>E</i>)-3-{4,6-Dimethoxy-2-[(<i>E</i>)-4-methoxystyryl]-3-methylphenyl}-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one","IUCrData","2020","5","6","x200792","","10.1107/S2414314620007920","","","0.71073","MoKα","","0.1078","0.0458","","","0.0887","0.1121","","","","","","0.883","","","","has coordinates,has Fobs","253205","2020-10-21","18:00:00",""
"1558331","10.90373","0.00013","9.73486","0.00011","14.2878","0.0002","90","","102.003","0.0013","90","","1483.44","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H48 O6 -","- C31 H48 O6 -","- C62 H96 O12 -","2","1","","Xie, Shuangshuang; Tan, Xiaosheng; Liu, Yaping; Duan, Yulin; Chen, Gang; Feng, Hao; Sun, Lingjuan; Huang, Yingying; Guo, Yi; Shi, Zhengyi; Zhou, Yuan; Qi, Changxing; Zhang, Yonghui","Hypersonins A-D, Polycyclic Polyprenylated Acylphloroglucinols with a 1,2-<i>seco</i>-Homoadamantane Architecture from <i>Hypericum wilsonii</i>.","Journal of natural products","2020","83","6","1804","1809","10.1021/acs.jnatprod.9b01187","","x-ray","1.54184","CuKα","","0.0275","0.0274","","","0.0722","0.0723","","","","","","1.046","","","","has coordinates","253730","2020-10-21","18:00:00",""
"1558332","9.7982","0.0002","9.859","0.0002","11.1142","0.0003","115.511","0.001","101.209","0.0016","106.861","0.0011","861.61","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 N2 O S2 -","- C20 H16 N2 O S2 -","- C40 H32 N4 O2 S4 -","2","1","","Sinclair, Geoffrey S.; Kukor, Andrew J.; Imperial, Kevin Karl G.; Schipper, Derek J.","Transition-Metal-Free ipso-Arylative Condensation","Macromolecules","2020","","","","","10.1021/acs.macromol.0c00726","","","0.71073","MoKα","","0.0951","0.0588","","","0.1267","0.1349","","","","","","1.354","","","","has coordinates","253220","2020-10-21","18:00:00",""
"1558333","11.1116","0.0016","22.132","0.003","16.382","0.002","90","","105.947","0.005","90","","3873.7","0.9","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 B N8 O3 Zn -","- C42 H40 B N8 O3 Zn -","- C168 H160 B4 N32 O12 Zn4 -","4","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0836","0.0543","","","0.1275","0.1428","","","","","","1.038","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558334","19.2031","0.0017","17.4413","0.0016","10.8662","0.001","90","","103.602","0.003","90","","3537.3","0.6","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 B N10 O2 Zn -","- C39 H33 B N10 O2 Zn -","- C156 H132 B4 N40 O8 Zn4 -","4","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0622","0.0421","","","0.0958","0.1038","","","","","","1.038","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558335","11.951","0.007","12.222","0.007","33.4","0.02","96.044","0.011","90.661","0.01","117.154","0.013","4307","4","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H45 B N9 O2 Zn -","- C48 H45 B N9 O2 Zn -","- C192 H180 B4 N36 O8 Zn4 -","4","2","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.1049","0.0568","","","0.0986","0.1126","","","","","","1.026","","","","has coordinates,has disorder","253225","2020-10-21","18:00:00",""
"1558336","22.1038","0.0007","18.2437","0.0006","20.8443","0.0007","90","","110.728","0.001","90","","7861.5","0.4","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40.5 H39 B N10 O3.5 Zn -","- C40.5 H39 B N10 O3.5 Zn -","- C324 H312 B8 N80 O28 Zn8 -","8","2","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0881","0.0512","","","0.1021","0.1147","","","","","","1.022","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558337","11.652","0.004","12.368","0.004","13.917","0.004","92.104","0.006","105.552","0.004","103.261","0.009","1870.3","1","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 B N9 O3 Zn -","- C40 H40 B N9 O3 Zn -","- C80 H80 B2 N18 O6 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0379","0.0306","","","0.0722","0.0762","","","","","","1.046","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558338","21.265","0.002","12.2666","0.0012","26.802","0.003","90","","96.968","0.002","90","","6939.6","1.2","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 B N12 O0.5 Zn -","- C38 H34 B N12 O0.5 Zn -","- C304 H272 B8 N96 O4 Zn8 -","8","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0629","0.0413","","","0.0827","0.0902","","","","","","1.038","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558339","11.5454","0.0006","12.4466","0.0006","13.3968","0.0007","87.861","0.001","72.845","0.001","88.996","0.001","1838.16","0.16","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H38 B N9 O3 Zn -","- C39 H38 B N9 O3 Zn -","- C78 H76 B2 N18 O6 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0455","0.0335","","","0.0711","0.0749","","","","","","1.062","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558340","11.7557","0.001","13.389","0.0016","16.6386","0.0011","67.385","0.004","74.545","0.002","89.452","0.004","2317.3","0.4","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C53 H48 B N8 O2 Zn -","- C53 H48 B N8 O2 Zn -","- C106 H96 B2 N16 O4 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.036","0.0326","","","0.0869","0.0896","","","","","","1.055","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558341","14.29","0.003","16.009","0.004","20.236","0.005","111.296","0.006","101.338","0.004","94.752","0.004","4168.4","1.7","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C91 H81 B2 N24 Zn2 -","- C91 H81 B2 N24 Zn2 -","- C182 H162 B4 N48 Zn4 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.043","0.0341","","","0.084","0.0896","","","","","","1.04","","","","has coordinates,has disorder","253225","2020-10-21","18:00:00",""
"1558342","11.7747","0.0006","12.2627","0.0006","16.6658","0.0008","88.998","0.002","71.411","0.001","63.502","0.001","2019.03","0.17","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H41 B N8 O2 S Zn -","- C45 H41 B N8 O2 S Zn -","- C90 H82 B2 N16 O4 S2 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0409","0.0313","","","0.0704","0.0742","","","","","","1.048","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558343","11.3437","0.0006","12.4724","0.0006","13.2663","0.0007","93.307","0.002","106.813","0.002","102.442","0.002","1740.01","0.16","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H32 B N9 O2 S Zn -","- C39 H32 B N9 O2 S Zn -","- C78 H64 B2 N18 O4 S2 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0474","0.0337","","","0.07","0.0749","","","","","","1.015","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558344","11.767","0.003","13.044","0.003","14.552","0.004","110.451","0.004","94.891","0.005","107.004","0.004","1957","0.9","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H37 B N8 O3 S Zn -","- C39 H37 B N8 O3 S Zn -","- C78 H74 B2 N16 O6 S2 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0868","0.0585","","","0.1461","0.1613","","","","","","1.033","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558345","11.3854","0.0009","12.2324","0.0009","12.9278","0.0011","95.296","0.002","103.872","0.002","100.76","0.002","1699.4","0.2","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 B N11 S Zn -","- C38 H32 B N11 S Zn -","- C76 H64 B2 N22 S2 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0681","0.0423","","","0.09","0.1013","","","","","","0.912","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558346","11.4626","0.0011","24.908","0.003","14.0421","0.0015","90","","92.074","0.004","90","","4006.5","0.8","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 B N11 S Zn -","- C44 H38 B N11 S Zn -","- C176 H152 B4 N44 S4 Zn4 -","4","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0549","0.0363","","","0.0743","0.0807","","","","","","1.019","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558347","13.2942","0.0013","16.9309","0.0019","18.117","0.002","90","","90.612","0.004","90","","4077.6","0.8","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H41 B N8 O2 S Zn -","- C45 H41 B N8 O2 S Zn -","- C180 H164 B4 N32 O8 S4 Zn4 -","4","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0491","0.0332","","","0.0703","0.0764","","","","","","1.016","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558348","25.354","0.004","12.7294","0.0011","21.364","0.003","90","","99.223","0.005","90","","6805.9","1.6","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 B N7 O2 S Zn -","- C38 H32 B N7 O2 S Zn -","- C304 H256 B8 N56 O16 S8 Zn8 -","8","2","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0778","0.0404","","","0.0797","0.0914","","","","","","1.017","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558349","11.5071","0.0009","24.8201","0.0016","14.2983","0.001","90","","93.957","0.002","90","","4074","0.5","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H38 B N9 O2 S Zn -","- C45 H38 B N9 O2 S Zn -","- C180 H152 B4 N36 O8 S4 Zn4 -","4","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0381","0.0286","","","0.0637","0.0682","","","","","","1.029","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558350","11.529","0.003","12.532","0.003","13.17","0.003","92.476","0.009","108.327","0.009","103.041","0.008","1746.3","0.7","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H32 B N9 O3 Zn -","- C39 H32 B N9 O2.963 Zn -","- C78 H64 B2 N18 O5.926 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0607","0.041","","","0.0784","0.0859","","","","","","1.016","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558351","18.2805","0.0012","24.6819","0.0016","17.9965","0.0011","90","","103.043","0.001","90","","7910.5","0.9","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H39 B N8 O2 S Zn -","- C44 H39 B N8 O2 S Zn -","- C352 H312 B8 N64 O16 S8 Zn8 -","8","2","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0583","0.0386","","","0.0904","0.0988","","","","","","1.026","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558352","11.466","0.0005","12.2164","0.0005","12.9213","0.0005","95.393","0.001","104.423","0.001","100.415","0.001","1705.55","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 B N11 O Zn -","- C38 H32 B N11 O Zn -","- C76 H64 B2 N22 O2 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.0362","0.0294","","","0.0704","0.0735","","","","","","1.044","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558353","11.8071","0.0005","20.2004","0.001","14.5401","0.0011","90","","95.99","0.002","90","","3449","0.3","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 B N7 O2 S Zn -","- C38 H32 B N7 O2 S Zn -","- C152 H128 B4 N28 O8 S4 Zn4 -","4","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.028","0.0259","","","0.067","0.0683","","","","","","1.053","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558354","11.7292","0.0011","11.9654","0.0012","16.3974","0.0016","100.704","0.003","96.654","0.003","114.105","0.003","2016.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H41 B N8 O3 Zn -","- C45 H41 B N8 O3 Zn -","- C90 H82 B2 N16 O6 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","K-L~3~","0.0334","0.0279","","","0.0701","0.0734","","","","","","0.997","","","","has coordinates,has disorder","253225","2020-10-21","18:00:00",""
"1558355","15.5694","0.0012","14.5978","0.0011","17.7711","0.0014","90","","106.12","0.002","90","","3880.2","0.5","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43.5 H41 B N7 O3 Zn -","- C43.5 H41 B N7 O3 Zn -","- C174 H164 B4 N28 O12 Zn4 -","4","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","","0.057","0.0365","","","0.0832","0.0941","","","","","","1.007","","","","has coordinates,has disorder","253225","2020-10-21","18:00:00",""
"1558356","11.902","0.002","13.512","0.003","15.071","0.002","65.558","0.005","87.822","0.005","87.374","0.008","2203.7","0.7","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H46 B N9 O2 Zn -","- C50 H46 B N9 O2 Zn -","- C100 H92 B2 N18 O4 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","K-L~3~","0.0622","0.0404","","","0.0839","0.0926","","","","","","1.033","","","","has coordinates","253225","2020-10-21","18:00:00",""
"1558357","11.93","0.002","13.078","0.002","14.235","0.003","107.583","0.006","93.055","0.006","106.031","0.006","2012.1","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H35 B N8 O4 Zn -","- C38 H34.98 B N8 O4 Zn -","- C76 H69.96 B2 N16 O8 Zn2 -","2","1","","Dick, Benjamin L.; Patel, Ashay; Cohen, Seth M.","Effect of Heterocycle Content on Metal Binding Isostere Coordination","Chemical Science","2020","","","","","10.1039/D0SC02717K","","x-ray","0.71073","MoKα","K-L~3~","0.0474","0.0334","","","0.0731","0.0778","","","","","","1.037","","","","has coordinates,has disorder","253225","2020-10-21","18:00:00",""
"1558358","14.5133","0.0007","16.3538","0.0007","22.1946","0.0008","87.79","0.003","79.14","0.004","67.556","0.005","4778.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H150 N12 O4 S4 -","- C98 H150 N12 O4 S4 -","- C196 H300 N24 O8 S8 -","2","1","","Berry, Stuart N.; Qin, Lei; Lewis, William; Jolliffe, Katrina A.","Conformationally Adaptable Macrocyclic Receptors for Ditopic Anions: Analysis of Chelate Cooperativity in Aqueous Containing Media","Chemical Science","2020","","","","","10.1039/D0SC02533J","","x-ray","1.54184","CuKα","","0.1645","0.0868","","","0.2423","0.3401","","","","","","1.139","","","","has coordinates","253259","2020-10-21","18:00:00",""
"1558359","32.333","0.008","32.042","0.008","22.621","0.005","90","","114.382","0.004","90","","21346","9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C206 H324 N24 O10 S10 -","- C202 H312 N24 O8 S8 -","- C808 H1248 N96 O32 S32 -","4","0.5","","Berry, Stuart N.; Qin, Lei; Lewis, William; Jolliffe, Katrina A.","Conformationally Adaptable Macrocyclic Receptors for Ditopic Anions: Analysis of Chelate Cooperativity in Aqueous Containing Media","Chemical Science","2020","","","","","10.1039/D0SC02533J","","x-ray","0.71073","MoKα","","0.384","0.1359","","","0.3209","0.4589","","","","","","0.953","","","","has coordinates,has disorder","253259","2020-10-21","18:00:00",""
"1558360","15.483","0.004","22.547","0.006","30.092","0.007","100.331","0.005","91.268","0.005","100.461","0.006","10147","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C195 H307 N24 O12 S10.5 -","- C195 H304 N24 O10.5 S10.5 -","- C390 H608 N48 O21 S21 -","2","1","","Berry, Stuart N.; Qin, Lei; Lewis, William; Jolliffe, Katrina A.","Conformationally Adaptable Macrocyclic Receptors for Ditopic Anions: Analysis of Chelate Cooperativity in Aqueous Containing Media","Chemical Science","2020","","","","","10.1039/D0SC02533J","","x-ray","0.71073","MoKα","","0.3255","0.1516","","","0.3601","0.4546","","","","","","1.162","","","","has coordinates,has disorder","253259","2020-10-21","18:00:00",""
"1558364","12.0597","0.0002","12.1028","0.0003","16.2479","0.0005","98.045","0.001","99.315","0.001","111.182","0.002","2130.75","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H52 B F10 Li N P -","- C43 H52 B F10 Li N P -","- C86 H104 B2 F20 Li2 N2 P2 -","2","1","","Watanabe, Kohei; Ueno, Atsushi; Tao, Xin; Skoch, Karel; Jie, Xiaoming; Vagin, Sergei; Rieger, Bernhard; Daniliuc, Constantin Gabriel; Letzel, Mathias C.; Kehr, Gerald; Erker, Gerhard","Reactions of an Anionic Chelate Phosphane/borata-alkene Ligand with [Rh(nbd)Cl]2, [Rh(CO)2Cl]2 and [Ir(cod)Cl]2.","Chemical Science","2020","","","","","10.1039/D0SC02223C","","","0.71073","MoKα","","0.0994","0.073","","","0.1348","0.1524","","","","","","1.094","","","","has coordinates,has disorder","253281","2020-10-21","18:00:00",""
"1558365","11.386","0.0004","24.4438","0.0008","12.1411","0.0004","90","","95.579","0.001","90","","3363.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 B F10 P Rh -","- C39 H33 B F10 P Rh -","- C156 H132 B4 F40 P4 Rh4 -","4","1","","Watanabe, Kohei; Ueno, Atsushi; Tao, Xin; Skoch, Karel; Jie, Xiaoming; Vagin, Sergei; Rieger, Bernhard; Daniliuc, Constantin Gabriel; Letzel, Mathias C.; Kehr, Gerald; Erker, Gerhard","Reactions of an Anionic Chelate Phosphane/borata-alkene Ligand with [Rh(nbd)Cl]2, [Rh(CO)2Cl]2 and [Ir(cod)Cl]2.","Chemical Science","2020","","","","","10.1039/D0SC02223C","","","0.71073","MoKα","","0.0483","0.0322","","","0.0642","0.0688","","","","","","1.05","","","","has coordinates","253281","2020-10-21","18:00:00",""
"1558366","12.4065","0.0002","20.2711","0.0004","18.1486","0.0004","90","","95.676","0.001","90","","4541.88","0.15","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 B F10 Li N P -","- C48 H52 B F10 Li N P -","- C192 H208 B4 F40 Li4 N4 P4 -","4","1","","Watanabe, Kohei; Ueno, Atsushi; Tao, Xin; Skoch, Karel; Jie, Xiaoming; Vagin, Sergei; Rieger, Bernhard; Daniliuc, Constantin Gabriel; Letzel, Mathias C.; Kehr, Gerald; Erker, Gerhard","Reactions of an Anionic Chelate Phosphane/borata-alkene Ligand with [Rh(nbd)Cl]2, [Rh(CO)2Cl]2 and [Ir(cod)Cl]2.","Chemical Science","2020","","","","","10.1039/D0SC02223C","","","0.71073","MoKα","","0.0635","0.0505","","","0.1267","0.1377","","","","","","1.043","","","","has coordinates,has disorder","253281","2020-10-21","18:00:00",""
"1558367","11.1535","0.0006","28.4831","0.0016","12.0712","0.0006","90","","100.231","0.002","90","","3773.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H37 B F10 O2 P Rh -","- C39 H37 B F10 O2 P Rh -","- C156 H148 B4 F40 O8 P4 Rh4 -","4","1","","Watanabe, Kohei; Ueno, Atsushi; Tao, Xin; Skoch, Karel; Jie, Xiaoming; Vagin, Sergei; Rieger, Bernhard; Daniliuc, Constantin Gabriel; Letzel, Mathias C.; Kehr, Gerald; Erker, Gerhard","Reactions of an Anionic Chelate Phosphane/borata-alkene Ligand with [Rh(nbd)Cl]2, [Rh(CO)2Cl]2 and [Ir(cod)Cl]2.","Chemical Science","2020","","","","","10.1039/D0SC02223C","","","0.71073","MoKα","","0.0724","0.0482","","","0.1094","0.124","","","","","","1.022","","","","has coordinates","253281","2020-10-21","18:00:00",""
"1558368","10.4373","0.0003","11.5018","0.0003","20.052","0.0006","101.416","0.002","99.845","0.002","98.08","0.002","2286.61","0.12","104","2","104","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H27 B2 F20 P -","- C44 H27 B2 F20 P -","- C88 H54 B4 F40 P2 -","2","1","","Watanabe, Kohei; Ueno, Atsushi; Tao, Xin; Skoch, Karel; Jie, Xiaoming; Vagin, Sergei; Rieger, Bernhard; Daniliuc, Constantin Gabriel; Letzel, Mathias C.; Kehr, Gerald; Erker, Gerhard","Reactions of an Anionic Chelate Phosphane/borata-alkene Ligand with [Rh(nbd)Cl]2, [Rh(CO)2Cl]2 and [Ir(cod)Cl]2.","Chemical Science","2020","","","","","10.1039/D0SC02223C","","","1.54178","CuKα","","0.061","0.0465","","","0.1086","0.1157","","","","","","1.022","","","","has coordinates","253281","2020-10-21","18:00:00",""
"1558369","11.0013","0.0005","13.0591","0.0005","28.8517","0.0013","102.805","0.001","92.594","0.002","105.065","0.001","3879.7","0.3","115","2","115","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H37 B F10 Ir P -","- C40 H37 B F10 Ir P -","- C160 H148 B4 F40 Ir4 P4 -","4","2","","Watanabe, Kohei; Ueno, Atsushi; Tao, Xin; Skoch, Karel; Jie, Xiaoming; Vagin, Sergei; Rieger, Bernhard; Daniliuc, Constantin Gabriel; Letzel, Mathias C.; Kehr, Gerald; Erker, Gerhard","Reactions of an Anionic Chelate Phosphane/borata-alkene Ligand with [Rh(nbd)Cl]2, [Rh(CO)2Cl]2 and [Ir(cod)Cl]2.","Chemical Science","2020","","","","","10.1039/D0SC02223C","","","0.71073","MoKα","","0.0464","0.0333","","","0.0685","0.0726","","","","","","1.038","","","","has coordinates","253281","2020-10-21","18:00:00",""
"1558370","18.504","0.0003","17.9348","0.0003","19.6933","0.0007","90","","108.694","0.002","90","","6190.7","0.3","173","0.1","173","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H28 B2 Br2 N2 -","- C36 H28 B2 Br2 N2 -","- C288 H224 B16 Br16 N16 -","8","1","","Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes","Chemical Science","2020","","","","","10.1039/D0SC02162H","","x-ray","1.54178","CuKα","","0.0871","0.073","","","0.2095","0.2527","","","","","","1.208","","","","has coordinates","253282","2020-10-21","18:00:00",""
"1558371","32.9585","0.0003","32.9585","0.0003","9.9663","0.0002","90","","90","","120","","9375.6","0.2","173","2","173","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H60 B2 Br2 N2 -","- C36 H60 B2 Br2 N2 -","- C324 H540 B18 Br18 N18 -","9","0.5","","Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes","Chemical Science","2020","","","","","10.1039/D0SC02162H","","","1.54184","CuKα","","0.0604","0.0559","","","0.1635","0.1691","","","","","","1.051","","","","has coordinates,has disorder","253282","2020-10-21","18:00:00",""
"1558372","13.4204","0.0006","13.4075","0.0004","13.5682","0.0005","90","","118.076","0.005","90","","2154.09","0.17","173","2","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 B Br N -","- C24 H26 B Br N -","- C96 H104 B4 Br4 N4 -","4","1","","Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes","Chemical Science","2020","","","","","10.1039/D0SC02162H","","x-ray","1.54184","CuKα","","0.0534","0.0403","","","0.1001","0.1161","","","","","","1.044","","","","has coordinates","253282","2020-10-21","18:00:00",""
"1558373","11.7577","0.0004","13.9324","0.0004","18.6526","0.0005","102.637","0.002","99.834","0.002","105.896","0.003","2779.5","0.16","172.99","0.1","172.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C57.5 H90 B2 N4 -","- C57.5 H90 B2 N4 -","- C115 H180 B4 N8 -","2","1","","Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes","Chemical Science","2020","","","","","10.1039/D0SC02162H","","x-ray","1.54184","CuKα","","0.0845","0.0595","","","0.1426","0.1519","","","","","","1.041","","","","has coordinates,has disorder","253282","2020-10-21","18:00:00",""
"1558374","11.75034","0.00011","23.8044","0.0003","19.95734","0.00018","90","","98.1553","0.0009","90","","5525.81","0.1","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H78 B2 N4 -","- C66 H78 B2 N4 -","- C264 H312 B8 N16 -","4","1","","Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes","Chemical Science","2020","","","","","10.1039/D0SC02162H","","x-ray","1.54184","CuKα","","0.0568","0.044","","","0.1119","0.1211","","","","","","1.019","","","","has coordinates","253282","2020-10-21","18:00:00",""
"1558375","11.2493","0.0003","26.0979","0.0007","13.6593","0.0004","90","","109.818","0.003","90","","3772.64","0.19","172.98","0.1","172.98","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H46 B2 N4 -","- C47 H46 B2 N4 -","- C188 H184 B8 N16 -","4","1","","Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes","Chemical Science","2020","","","","","10.1039/D0SC02162H","","x-ray","0.71","MoKα","","0.0681","0.0451","","","0.1068","0.1224","","","","","","1.026","","","","has coordinates,has disorder","253282","2020-10-21","18:00:00",""
"1558376","9.0716","0.001","9.8412","0.0013","11.5149","0.0012","76.803","0.01","82.173","0.009","68.411","0.011","929.1","0.2","172.99","0.1","172.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H58 B2 N2 O4 -","- C38 H58 B2 N2 O4 -","- C38 H58 B2 N2 O4 -","1","0.5","","Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes","Chemical Science","2020","","","","","10.1039/D0SC02162H","","x-ray","1.54184","CuKα","","0.1119","0.0803","","","0.1902","0.2121","","","","","","1.079","","","","has coordinates,has disorder","253282","2020-10-21","18:00:00",""
"1558377","11.4985","0.0003","13.7129","0.0005","24.4365","0.0007","90","","90","","90","","3853.1","0.2","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H56 O4 Si -","- C41 H56 O4 Si -","- C164 H224 O16 Si4 -","4","1","","Yu, Tianzi; Sun, Ying; Tu, Canhui; Chen, Ting; Fu, Shaomin; Liu, Bo","Total Synthesis of Crotophorbolone","Chemical Science","2020","","","","","10.1039/D0SC02829K","","x-ray","0.71073","MoKα","","0.0839","0.0484","","","0.0855","0.0967","","","","","","0.961","","","","has coordinates","253283","2020-10-21","18:00:00",""
"1558378","10.7809","0.0007","12.9537","0.001","23.2649","0.0018","90","","90","","90","","3249","0.4","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H47 O3 Si -","- C36 H47 O3 Si -","- C144 H188 O12 Si4 -","4","1","","Yu, Tianzi; Sun, Ying; Tu, Canhui; Chen, Ting; Fu, Shaomin; Liu, Bo","Total Synthesis of Crotophorbolone","Chemical Science","2020","","","","","10.1039/D0SC02829K","","x-ray","0.71073","MoKα","","0.0929","0.0681","","","0.1419","0.1623","","","","","","1.016","","","","has coordinates","253283","2020-10-21","18:00:00",""
"1558379","7.2747","0.0005","10.4927","0.0008","16.356","0.0012","97.735","0.002","102.84","0.002","102.607","0.002","1165.71","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-aqua-bis[aqua(2,2'-bipyridine)(4-nitrobenzoato)cobalt(II)] bis(4-nitrobenzoate)","","- C48 H40 Co2 N8 O20 -","- C48 H40 Co2 N8 O20 -","- C48 H40 Co2 N8 O20 -","1","0.5","HB4348","Srinivasan, Bikshandarkoil R.; Harmalkar, Sarvesh S.; D'Souza, Luann R.; Dhuri, Sunder N.","Di-μ-aqua-bis[aqua(2,2′-bipyridine)(4-nitrobenzoato)cobalt(II)] bis(4-nitrobenzoate)","IUCrData","2020","5","6","","","10.1107/S2414314620007968","","","0.71073","MoKα","","0.0289","0.0251","","","0.0614","0.0637","","","","","","1.052","","","","has coordinates,has Fobs","253294","2020-10-21","18:00:00",""
"1558383","12.3819","0.0014","12.8413","0.0014","14.0834","0.0016","86.212","0.004","84.496","0.004","72.066","0.003","2119.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 N2 O2 S -","- C27 H20 N2 O2 S -","- C108 H80 N8 O8 S4 -","4","2","","Jena, Satyam; Dhanalakshmi, Pandi; Bano, Gulista; Thilagar, Pakkirisamy","Delayed Fluorescence, Room Temperature Phosphorescence, and Mechanofluorochromic Naphthalimides: Differential Imaging of Normoxia and Hypoxia Live Cancer Cells.","The journal of physical chemistry. B","2020","124","26","5393","5406","10.1021/acs.jpcb.0c04115","","","0.71073","MoKα","","0.1238","0.092","","","0.2942","0.3128","","","","","","1.086","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1558384","27.169","0.005","7.8353","0.0014","19.215","0.003","90","","90","","90","","4090.4","1.2","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C27 H20 N2 O3 -","- C27 H20 N2 O3 -","- C216 H160 N16 O24 -","8","1","","Jena, Satyam; Dhanalakshmi, Pandi; Bano, Gulista; Thilagar, Pakkirisamy","Delayed Fluorescence, Room Temperature Phosphorescence, and Mechanofluorochromic Naphthalimides: Differential Imaging of Normoxia and Hypoxia Live Cancer Cells.","The journal of physical chemistry. B","2020","124","26","5393","5406","10.1021/acs.jpcb.0c04115","","","0.71073","MoKα","","0.0897","0.0749","","","0.1766","0.1863","","","","","","1.079","","","","has coordinates","253749","2020-10-21","18:00:00",""
"1558385","28.102","0.011","8.21","0.003","19.944","0.008","90","","115.706","0.011","90","","4146","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N2 O2 -","- C27 H20 N2 O2 -","- C216 H160 N16 O16 -","8","1","","Jena, Satyam; Dhanalakshmi, Pandi; Bano, Gulista; Thilagar, Pakkirisamy","Delayed Fluorescence, Room Temperature Phosphorescence, and Mechanofluorochromic Naphthalimides: Differential Imaging of Normoxia and Hypoxia Live Cancer Cells.","The journal of physical chemistry. B","2020","124","26","5393","5406","10.1021/acs.jpcb.0c04115","","","0.71073","MoKα","","0.1938","0.0848","","","0.1647","0.2073","","","","","","1.046","","","","has coordinates","253749","2020-10-21","18:00:00",""
"1558386","12.063","0.002","27.127","0.005","8.2526","0.0014","90","","129.29","0.006","90","","2090.1","0.7","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H20 N2 O2 -","- C27 H20 N2 O2 -","- C108 H80 N8 O8 -","4","1","","Jena, Satyam; Dhanalakshmi, Pandi; Bano, Gulista; Thilagar, Pakkirisamy","Delayed Fluorescence, Room Temperature Phosphorescence, and Mechanofluorochromic Naphthalimides: Differential Imaging of Normoxia and Hypoxia Live Cancer Cells.","The journal of physical chemistry. B","2020","124","26","5393","5406","10.1021/acs.jpcb.0c04115","","","0.71073","MoKα","","0.1045","0.0735","","","0.2065","0.2338","","","","","","1.061","","","","has coordinates","253749","2020-10-21","18:00:00",""
"1558387","7.8985","0.0007","11.3746","0.0011","13.1673","0.0013","79.62","0.005","73.19","0.005","70.55","0.005","1063.19","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C54 H44 N4 O4 -","2","1","","Jena, Satyam; Dhanalakshmi, Pandi; Bano, Gulista; Thilagar, Pakkirisamy","Delayed Fluorescence, Room Temperature Phosphorescence, and Mechanofluorochromic Naphthalimides: Differential Imaging of Normoxia and Hypoxia Live Cancer Cells.","The journal of physical chemistry. B","2020","124","26","5393","5406","10.1021/acs.jpcb.0c04115","","","0.71073","MoKα","","0.1037","0.0864","","","0.254","0.2757","","","","","","1.09","","","","has coordinates","253749","2020-10-21","18:00:00",""
"1558388","9.5765","0.0002","12.9092","0.0003","21.0501","0.0005","90","","100.084","0.002","90","","2562.12","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H39 N2 O3 P Ru -","- C25 H39 N2 O3 P Ru -","- C100 H156 N8 O12 P4 Ru4 -","4","1","","Zou, You-Quan; Zhou, Quan-Quan; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Synthesis of oxalamides by acceptorless dehydrogenative coupling of ethylene glycol and amines and the reverse hydrogenation catalyzed by ruthenium","Chemical Science","2020","","","","","10.1039/D0SC02065F","","","0.71073","MoKα","","0.0435","0.0368","","","0.084","0.0858","","","","","","1.103","","","","has coordinates","253341","2020-10-21","18:00:00",""
"1558389","10.206","0.0004","11.8825","0.0005","12.7337","0.0005","90","","90","","90","","1544.25","0.11","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-N-(2-(2-hydroxy-3-phenoxypropyl)phenyl)acetamide","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Thombal, Raju S.; Feoktistova, Taisiia; González-Montiel, Gisela A.; Cheong, Paul H.-Y.; Lee, Yong Rok","Palladium-catalyzed synthesis of β-hydroxy compounds via a strained 6,4-palladacycle from directed C‒H activation of anilines and C‒O insertion of epoxides","Chemical Science","2020","11","27","7260","7265","10.1039/D0SC01462A","","","0.71073","MoKα","","0.0585","0.0413","","","0.1085","0.1283","","","","","","1.128","","","","has coordinates","257297","2020-10-21","18:00:00",""
"1558390","9.0185","0.0002","11.1498","0.0002","13.696","0.0003","84.062","0.001","89.316","0.001","81.541","0.001","1354.9","0.05","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H76 F2 S2 Si2 -","- C60 H76 F2 S2 Si2 -","- C60 H76 F2 S2 Si2 -","1","0.5","","Pace, Natalie; Rugg, Brandon K.; Chang, Christopher H.; Reid, Obadiah; Thorley, Karl J.; Parkin, Sean R.; Anthony, John E.; Johnson, Justin C.","Conversion between Triplet Pair States is Controlled by Molecular Coupling in Pentadithiophene Thin Films","Chemical Science","2020","","","","","10.1039/D0SC02497J","","","1.54178","CuKα","","0.1007","0.0833","","","0.2428","0.2655","","","","","","1.08","","","","has coordinates,has disorder","253343","2020-10-21","18:00:00",""
"1558391","44.36","0.002","8.4599","0.0005","17.8448","0.0008","90","","102.684","0.0017","90","","6533.4","0.6","90","0.2","90","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H94 S2 Si4 -","- C66 H94 S2 Si4 -","- C264 H376 S8 Si16 -","4","0.5","","Pace, Natalie; Rugg, Brandon K.; Chang, Christopher H.; Reid, Obadiah; Thorley, Karl J.; Parkin, Sean R.; Anthony, John E.; Johnson, Justin C.","Conversion between Triplet Pair States is Controlled by Molecular Coupling in Pentadithiophene Thin Films","Chemical Science","2020","","","","","10.1039/D0SC02497J","","","0.71073","MoKα","","0.1077","0.0551","","","0.1346","0.1518","","","","","","1.049","","","","has coordinates,has disorder","253343","2020-10-21","18:00:00",""
"1558392","8.1025","0.0001","6.6401","0.0001","11.7134","0.0001","90","","102.405","0.001","90","","615.485","0.013","93.15","","93.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H12 O4 -","- C14 H12 O4 -","- C28 H24 O8 -","2","1","","Cui, Jin; Kumagai, Naoya; Watanabe, Takumi; Shibasaki, Masakatsu","Direct catalytic asymmetric and anti-selective vinylogous addition of butenolides to chromones","Chemical Science","2020","11","27","7170","7176","10.1039/D0SC01914C","","x-ray","1.54184","CuKα","","0.0273","0.0271","","","0.0706","0.0709","","","","","","1.07","","","","has coordinates","257298","2020-10-21","18:00:00",""
"1558393","12.4535","0.0002","6.5482","0.0001","15.9054","0.0003","90","","105.099","0.002","90","","1252.28","0.04","93.15","","93.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H11 N O6 -","- C14 H11 N O6 -","- C56 H44 N4 O24 -","4","2","","Cui, Jin; Kumagai, Naoya; Watanabe, Takumi; Shibasaki, Masakatsu","Direct catalytic asymmetric and anti-selective vinylogous addition of butenolides to chromones","Chemical Science","2020","11","27","7170","7176","10.1039/D0SC01914C","","x-ray","1.54184","CuKα","","0.0434","0.0375","","","0.0924","0.0942","","","","","","1.058","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1558397","7.5364","0.0003","8.1598","0.0003","14.6308","0.0006","74.8246","0.0015","86.9207","0.0015","83.589","0.0014","862.64","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H10 F6 I N O3 -","- C17 H10 F6 I N O3 -","- C34 H20 F12 I2 N2 O6 -","2","1","","Ding, Wei; Wang, Chen; Tan, Jie Ren; Ho, Chang Chin; León, Felix; Garcia, Felipe; Yoshikai, Naohiko","Site-selective aromatic C‒H λ3-iodanation with cyclic iodine(III) electrophile in solution and solid phases","Chemical Science","2020","","","","","10.1039/D0SC02737E","","","0.71073","MoKα","","0.0633","0.0439","","","0.0714","0.0791","","","","","","1.05","","","","has coordinates","253384","2020-10-21","18:00:00",""
"1558398","6.0356","0.0004","10.8751","0.0009","10.5262","0.0007","90","","97.925","0.003","90","","684.32","0.09","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C32 H38 N2 O6 -","2","1","","Inanaga, Kazato; Wollenburg, Marco; Bachman, Shoshana; Hafeman, Nicholas; Stoltz, Brian M.","Catalytic Enantioselective Synthesis of Carbocyclic and Heterocyclic Spiranes via a Decarboxylative Aldol Cyclization","Chemical Science","2020","","","","","10.1039/D0SC02366C","","","1.54178","CuKα","","0.0292","0.0287","","","0.073","0.0736","","","","","","1.085","","","","has coordinates","253385","2020-10-21","18:00:00",""
"1558399","6.8455","0.0009","6.8455","0.0009","21.807","0.005","90","","90","","120","","885","0.3","293","2","293","2","","","","","","","","4","P 65","P 65","170","Y(IO3)2F","Y(IO3)2F","","- F I2 O6 Y -","- F I2 O6 Y -","- F6 I12 O36 Y6 -","6","1","","Peng, Guang; Yang, Yi; Yan, Tao; Zhao, Dan; Li, Bing-Xuan; Zhang, Ge; Lin, Zheshuai; Ye, Ning","Helix-constructed Polar Rare-earth Iodate Fluoride as Laser Nonlinear Optical Multifunctional Materials","Chemical Science","2020","","","","","10.1039/D0SC02789H","","","0.71073","MoKα","","0.0515","0.0503","","","0.1078","0.1084","","","","","","1.108","","","","has coordinates","253386","2020-10-21","18:00:00",""
"1558400","5.2753","0.0002","8.2287","0.0002","45.0822","0.0011","90","","90","","90","","1956.97","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C100 H76 N4 O8 -","4","1","","Fernandez, Zulema; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Felix","Chiral Information Harvesting in Helical Poly(acetylene) Derivatives Using Oligo(p-phenyleneethynylene)s as Spacers","Chemical Science","2020","","","","","10.1039/D0SC02685A","","x-ray","0.71073","MoKα","","0.0558","0.0407","","","0.0812","0.0862","","","","","","1.037","","","","has coordinates","253388","2020-10-21","18:00:00",""
"1558401","5.3349","0.0002","8.0996","0.0004","58.179","0.002","90","","90","","90","","2513.95","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H23 N O2 -","- C33 H23 N O2 -","- C132 H92 N4 O8 -","4","1","","Fernandez, Zulema; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Felix","Chiral Information Harvesting in Helical Poly(acetylene) Derivatives Using Oligo(p-phenyleneethynylene)s as Spacers","Chemical Science","2020","","","","","10.1039/D0SC02685A","","x-ray","1.54184","CuKα","","0.1384","0.0755","","","0.1678","0.2048","","","","","","0.997","","","","has coordinates","253388","2020-10-21","18:00:00",""
"1558402","15.8187","0.0009","32.856","0.002","17.4013","0.0011","90","","93.728","0.002","90","","9025","0.9","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C96 H112 Cl8 I8 Mo6 Na4.5 O107 -","- C96 H112 Cl8 I8 Mo6 Na4.5 O107 -","- C192 H224 Cl16 I16 Mo12 Na9 O214 -","2","1","","Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane","From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix","Materials Horizons","2020","7","9","2399","2406","10.1039/D0MH00637H","","","0.71073","MoKα","","0.0755","0.0484","","","0.123","0.1423","","","","","","1.034","","","","has coordinates","258157","2020-10-21","18:00:00",""
"1558403","23.715","0.002","23.715","0.002","56.802","0.005","90","","90","","90","","31946","5","200","","200","","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C144 H168 Br8 Cl6 Mo6 Na4 O138 -","- C144 H168 Br8 Cl6 Mo6 O142 -","- C576 H672 Br32 Cl24 Mo24 O568 -","4","0.25","","Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane","From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix","Materials Horizons","2020","7","9","2399","2406","10.1039/D0MH00637H","","","0.71073","MoKα","","0.2301","0.1011","","","0.2643","0.3499","","","","","","0.988","","","","has coordinates","258157","2020-10-21","18:00:00",""
"1558404","23.7708","0.0016","23.7708","0.0016","57.456","0.004","90","","90","","90","","32466","4","200","","200","","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C144 H168 Cl6 I8 Mo6 O138 -","- C144 H168 Cl6 I8 Mo6 O137 -","- C576 H672 Cl24 I32 Mo24 O548 -","4","0.25","","Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane","From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix","Materials Horizons","2020","7","9","2399","2406","10.1039/D0MH00637H","","","0.71073","MoKα","","0.1493","0.1108","","","0.2881","0.3443","","","","","","1.065","","","","has coordinates","258157","2020-10-21","18:00:00",""
"1558405","19.805","0.002","19.805","","57.843","0.007","90","","90","","120","","19649","3","200","2","200","2","","","","","","","","7","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C96 H112 Al13 Br8 Cl10 Mo6 O120 -","- C96 H112 Al13 Br8 Cl10 Mo6 O120 -","- C288 H336 Al39 Br24 Cl30 Mo18 O360 -","3","0.25","","Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane","From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix","Materials Horizons","2020","7","9","2399","2406","10.1039/D0MH00637H","","","0.71073","MoKα","","0.1333","0.092","","","0.2458","0.2923","","","","","","1.022","","","","has coordinates","258157","2020-10-21","18:00:00",""
"1558406","19.751","0.002","19.751","","57.616","0.007","90","","90","","120","","19465","3","200","","200","","","","","","","","","7","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C96 H108 Al13 Cl8.5 I8 Mo6 O120 -","- C96 H108 Al13 Cl8.5 I8 Mo6 O120 -","- C288 H324 Al39 Cl25.5 I24 Mo18 O360 -","3","0.25","","Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane","From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix","Materials Horizons","2020","7","9","2399","2406","10.1039/D0MH00637H","","","0.71073","MoKα","","0.1638","0.1367","","","0.3625","0.4039","","","","","","1.738","","","","has coordinates","258157","2020-10-21","18:00:00",""
"1558407","15.8501","0.0017","32.821","0.004","17.405","0.002","90","","93.734","0.004","90","","9035.1","1.8","150","2","150.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C96 H112 Br8 Cl8 Mo6 Na5 O102.5 -","- C96 H112 Br8 Cl8 Mo6 Na5 O102.5 -","- C192 H224 Br16 Cl16 Mo12 Na10 O205 -","2","1","","Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane","From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix","Materials Horizons","2020","7","9","2399","2406","10.1039/D0MH00637H","","","0.71073","MoKα","","0.0713","0.0593","","","0.1701","0.1817","","","","","","1.034","","","","has coordinates","258157","2020-10-21","18:00:00",""
"1558414","17.2715","0.0004","17.2715","0.0004","17.2715","0.0004","90","","90","","90","","5152.2","0.2","","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-90","","","- C48 H36 N24 O12 Zn6 -","- C48 H36 N24 O12 Zn6 -","- C96 H72 N48 O24 Zn12 -","2","0.0416667","","Mengwen, Li; Ao, Shen; Yueqi, Liang; Hao, Zhen; Xiaohui, Hao; Xueliang, Liu; Xinchao, Sun; Yunxu, Yang","The selective and sensitive detection of formaldehyde by ZIF-90-LWvia aza-Cope rearrangement","Analytical Methods","2020","12","29","3748","3755","10.1039/D0AY00493F","","","","","","0.146","","","","","","","","","","","","","","","has coordinates","287156","2023-10-28","00:00:03",""
"1558415","13.3697","0.0003","13.3697","0.0003","23.8975","0.0008","90","","90","","90","","4271.7","0.2","99.99","0.13","99.99","0.13","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H8 F12 Sn -","- C24 H8 F12 Sn -","- C192 H64 F96 Sn8 -","8","0.25","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0275","0.0247","","","0.0713","0.0731","","","","","","1.109","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558416","14.40851","0.00016","14.40851","0.00016","20.9644","0.0004","90","","90","","90","","4352.32","0.11","100","0.11","100","0.11","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H8 F12 Ge -","- C24 H8 F12 Ge -","- C192 H64 F96 Ge8 -","8","0.25","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.032","0.0274","","","0.0655","0.0676","","","","","","1.085","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558417","7.11145","0.0001","14.5572","0.0002","16.9641","0.0002","98.5536","0.0012","93.9179","0.0011","102.025","0.0012","1689.55","0.04","140.01","0.1","140.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H6 F9 Sb -","- C18 H6 F9 Sb -","- C72 H24 F36 Sb4 -","4","2","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0246","0.02","","","0.0472","0.0495","","","","","","1.031","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558418","5.84981","0.00012","15.5147","0.0004","14.8525","0.0003","90","","90.681","0.002","90","","1347.89","0.05","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 O3 -","- C14 H26 O3 -","- C56 H104 O12 -","4","1","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","1.54184","CuKα","","0.035","0.0325","","","0.0797","0.0812","","","","","","1.043","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558419","7.16588","0.00007","14.61823","0.00016","17.01631","0.00016","98.5736","0.0008","94.0812","0.0008","102.497","0.0008","1710.92","0.03","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H6 Bi F9 -","- C18 H6 Bi F9 -","- C72 H24 Bi4 F36 -","4","2","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0576","0.0314","","","0.0497","0.0535","","","","","","1.051","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558420","10.37807","0.00018","18.8151","0.0003","15.5321","0.0002","90","","103.434","0.0016","90","","2949.88","0.08","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H2 Cl6 F15 O2 Sb -","- C25 H2 Cl6 F15 O2 Sb -","- C100 H8 Cl24 F60 O8 Sb4 -","4","1","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0603","0.0499","","","0.1319","0.1409","","","","","","1.044","","","","has coordinates,has disorder","253462","2020-10-21","18:00:00",""
"1558421","4.6572","0.0001","11.8323","0.0003","15.386","0.0003","102.271","0.002","90.684","0.002","100.761","0.002","812.73","0.03","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H6 F9 Sb -","- C18 H6 F9 Sb -","- C36 H12 F18 Sb2 -","2","1","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","1.54184","CuKα","","0.0325","0.0308","","","0.0851","0.0857","","","","","","1.184","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558422","5.9325","0.0001","20.3604","0.0002","14.9916","0.0002","90","","92.882","0.001","90","","1808.52","0.04","140","0.1","140","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 F15 Sb -","- C18 F15 Sb -","- C72 F60 Sb4 -","4","1","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0257","0.022","","","0.046","0.0475","","","","","","1.126","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558423","10.2444","0.0002","17.0576","0.0003","9.5358","0.0001","90","","90","","90","","1666.33","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H6 F9 Sb -","- C18 H6 F9 Sb -","- C72 H24 F36 Sb4 -","4","0.5","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0212","0.0191","","","0.0486","0.0495","","","","","","1.053","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558424","11.428","0.0002","14.4693","0.0002","17.6698","0.0002","103.096","0.001","97.1","0.001","102.831","0.001","2727.81","0.07","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C49 H14 Cl10 F18 O4 Sb2 -","- C49 H14 Cl10 F18 O4 Sb2 -","- C98 H28 Cl20 F36 O8 Sb4 -","2","1","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0389","0.0305","","","0.0821","0.0856","","","","","","1.06","","","","has coordinates,has disorder","253462","2020-10-21","18:00:00",""
"1558425","9.96666","0.00013","16.7568","0.0002","17.1842","0.0002","90","","102.174","0.0013","90","","2805.38","0.06","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H8 Cl6 F9 O2 Sb -","- C25 H8 Cl6 F9 O2 Sb -","- C100 H32 Cl24 F36 O8 Sb4 -","4","1","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0302","0.0245","","","0.0553","0.0581","","","","","","1.043","","","","has coordinates,has disorder","253462","2020-10-21","18:00:00",""
"1558426","11.0876","0.0003","20.5912","0.0004","19.1254","0.0004","90","","96.758","0.002","90","","4336.12","0.17","150","","150","","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C34 H20 -","- C34 H20 -","- C272 H160 -","8","2","","Zhou, Fulin; Zhou, Fujian; Su, Rongchuan; Yang, Yudong; You, Jingsong","Build-Up of Double Carbohelicenes Using Nitroarenes: Dual Role of the Nitro Functionality as Activation and Leaving Group","Chemical Science","2020","","","","","10.1039/D0SC02058C","","x-ray","1.54184","CuKα","","0.0534","0.0505","","","0.1342","0.1392","","","","","","1.023","","","","has coordinates","253463","2020-10-21","18:00:00",""
"1558427","7.8468","0.0006","23.408","0.002","11.3681","0.0009","90","","90","","90","","2088.1","0.3","292.2","0.5","292.2","0.5","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C34 H18 -","- C34 H18 -","- C136 H72 -","4","0.5","","Zhou, Fulin; Zhou, Fujian; Su, Rongchuan; Yang, Yudong; You, Jingsong","Build-Up of Double Carbohelicenes Using Nitroarenes: Dual Role of the Nitro Functionality as Activation and Leaving Group","Chemical Science","2020","","","","","10.1039/D0SC02058C","","x-ray","1.54184","CuKα","","0.092","0.082","","","0.2225","0.23","","","","","","1.144","","","","has coordinates","253463","2020-10-21","18:00:00",""
"1558429","8.0375","0.0002","9.3645","0.0002","12.0386","0.0003","92.048","0.002","106.633","0.002","102.379","0.002","843.44","0.04","294.15","","294.15","","","","","","","","","7","P -1","-P 1","2","","","","- C15 H11 Br F2 N4 O S -","- C15 H11 Br F2 N4 O S -","- C30 H22 Br2 F4 N8 O2 S2 -","2","1","","Yu, Bin; Zhou, Shuang; Cao, Lixin; Hao, Zesheng; Yang, Dongyan; Guo, Xiaofeng; Zhang, Nailou; Bakulev, Vasiliy A.; Fan, Zhijin","Design, Synthesis and Evaluation of Antifungal Activity of Novel Pyrazole-thiazole Carboxamides as Succinate Dehydrogenase Inhibitors.","Journal of agricultural and food chemistry","2020","","","","","10.1021/acs.jafc.0c00062","","x-ray","0.71073","MoKα","","0.053","0.0385","","","0.0946","0.1018","","","","","","1.038","","","","has coordinates,has disorder","253486","2020-10-21","18:00:00",""
"1558430","5.4754","0.0002","15.6795","0.0004","20.1088","0.0005","90","","90","","90","","1726.37","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O8 -","- C17 H21 N O8 -","- C68 H84 N4 O32 -","4","1","","Habel, Deenamma; Nair, Divya S.; Kallingathodi, Zabeera; Mohan, Chithra; Pillai, Sarath M.; Nair, Rani R.; Thomas, Grace; Haleema, Simimole; Gopinath, Chithra; Abdul, Rinshad V.; Fritz, Matthew; Puente, Andrew R.; Johnson, Jordan L.; Polavarapu, Prasad L.; Ibnusaud, Ibrahim","Natural Product-Derived Chiral Pyrrolidine-2,5-diones, Their Molecular Structures and Conversion to Pharmacologically Important Skeletons.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00211","","","0.71073","MoKα","","0.0329","0.0296","","","0.0723","0.0748","","","","","","1.02","","","","has coordinates","253487","2020-10-21","18:00:00",""
"1558431","24.693","0.005","5.0152","0.001","24.78","0.005","90","","101.05","0.004","90","","3011.9","1.1","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C128 H168 N8 O40 -","8","2","","Habel, Deenamma; Nair, Divya S.; Kallingathodi, Zabeera; Mohan, Chithra; Pillai, Sarath M.; Nair, Rani R.; Thomas, Grace; Haleema, Simimole; Gopinath, Chithra; Abdul, Rinshad V.; Fritz, Matthew; Puente, Andrew R.; Johnson, Jordan L.; Polavarapu, Prasad L.; Ibnusaud, Ibrahim","Natural Product-Derived Chiral Pyrrolidine-2,5-diones, Their Molecular Structures and Conversion to Pharmacologically Important Skeletons.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00211","","","0.71073","MoKα","","0.2375","0.1008","","","0.141","0.1777","","","","","","1.05","","","","has coordinates","253488","2020-10-21","18:00:00",""
"1558432","5.666","0.0003","9.3371","0.0007","12.7013","0.0009","90","","93.2","0.003","90","","670.9","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C32 H36 N4 O8 -","2","1","","Habel, Deenamma; Nair, Divya S.; Kallingathodi, Zabeera; Mohan, Chithra; Pillai, Sarath M.; Nair, Rani R.; Thomas, Grace; Haleema, Simimole; Gopinath, Chithra; Abdul, Rinshad V.; Fritz, Matthew; Puente, Andrew R.; Johnson, Jordan L.; Polavarapu, Prasad L.; Ibnusaud, Ibrahim","Natural Product-Derived Chiral Pyrrolidine-2,5-diones, Their Molecular Structures and Conversion to Pharmacologically Important Skeletons.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00211","","","0.71073","MoKα","","0.049","0.0472","","","0.139","0.1404","","","","","","1.173","","","","has coordinates","253489","2020-10-21","18:00:00",""
"1558433","16.8725","0.0006","5.1182","0.0002","17.3866","0.0006","90","","92.854","0.002","90","","1499.59","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17.5 H18 N2 O4 -","- C17.5 H18 N2 O4 -","- C70 H72 N8 O16 -","4","2","","Habel, Deenamma; Nair, Divya S.; Kallingathodi, Zabeera; Mohan, Chithra; Pillai, Sarath M.; Nair, Rani R.; Thomas, Grace; Haleema, Simimole; Gopinath, Chithra; Abdul, Rinshad V.; Fritz, Matthew; Puente, Andrew R.; Johnson, Jordan L.; Polavarapu, Prasad L.; Ibnusaud, Ibrahim","Natural Product-Derived Chiral Pyrrolidine-2,5-diones, Their Molecular Structures and Conversion to Pharmacologically Important Skeletons.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00211","","","0.71073","MoKα","","0.0579","0.0445","","","0.1169","0.1256","","","","","","1.06","","","","has coordinates","253490","2020-10-21","18:00:00",""
"1558434","5.674","0.003","10.99","0.007","26.414","0.016","90","","90","","90","","1647.1","1.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O7 -","- C16 H23 N O7 -","- C64 H92 N4 O28 -","4","1","","Habel, Deenamma; Nair, Divya S.; Kallingathodi, Zabeera; Mohan, Chithra; Pillai, Sarath M.; Nair, Rani R.; Thomas, Grace; Haleema, Simimole; Gopinath, Chithra; Abdul, Rinshad V.; Fritz, Matthew; Puente, Andrew R.; Johnson, Jordan L.; Polavarapu, Prasad L.; Ibnusaud, Ibrahim","Natural Product-Derived Chiral Pyrrolidine-2,5-diones, Their Molecular Structures and Conversion to Pharmacologically Important Skeletons.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00211","","","0.71073","MoKα","","0.1702","0.0832","","","0.1605","0.1998","","","","","","1.027","","","","has coordinates","253491","2020-10-21","18:00:00",""
"1558435","25.448","0.004","6.6873","0.0008","11.1323","0.0015","90","","91.972","0.006","90","","1893.4","0.5","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H22 N2 O6.5 -","- C19 H22 N2 O6.5 -","- C76 H88 N8 O26 -","4","1","","Habel, Deenamma; Nair, Divya S.; Kallingathodi, Zabeera; Mohan, Chithra; Pillai, Sarath M.; Nair, Rani R.; Thomas, Grace; Haleema, Simimole; Gopinath, Chithra; Abdul, Rinshad V.; Fritz, Matthew; Puente, Andrew R.; Johnson, Jordan L.; Polavarapu, Prasad L.; Ibnusaud, Ibrahim","Natural Product-Derived Chiral Pyrrolidine-2,5-diones, Their Molecular Structures and Conversion to Pharmacologically Important Skeletons.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00211","","","0.71073","MoKα","","0.09","0.051","","","0.0875","0.102","","","","","","1.09","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1558436","8.811","0.003","8.873","0.003","10.494","0.004","90","","106.154","0.011","90","","788","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N O6 -","- C16 H20 N O6 -","- C32 H40 N2 O12 -","2","1","","Habel, Deenamma; Nair, Divya S.; Kallingathodi, Zabeera; Mohan, Chithra; Pillai, Sarath M.; Nair, Rani R.; Thomas, Grace; Haleema, Simimole; Gopinath, Chithra; Abdul, Rinshad V.; Fritz, Matthew; Puente, Andrew R.; Johnson, Jordan L.; Polavarapu, Prasad L.; Ibnusaud, Ibrahim","Natural Product-Derived Chiral Pyrrolidine-2,5-diones, Their Molecular Structures and Conversion to Pharmacologically Important Skeletons.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00211","","","0.71073","MoKα","","0.0836","0.0511","","","0.1068","0.1288","","","","","","1.065","","","","has coordinates","253493","2020-10-21","18:00:00",""
"1558437","5.8686","0.0002","7.4955","0.0003","15.2792","0.0005","102.195","0.002","90.649","0.002","90.454","0.002","656.86","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-[(<i>E</i>)-3-(4-Methylphenyl)-3-oxoprop-1-en-1-yl]benzonitrile","","- C17 H13 N O -","- C17 H13 N O -","- C34 H26 N2 O2 -","2","1","VM4044","Arunkumar, Dandavathi; Samshuddin, Seranthimata; Ansar, Mhammed; Mague, Joel T.; Ramli, Youssef","4-[(<i>E</i>)-3-(4-Methylphenyl)-3-oxoprop-1-en-1-yl]benzonitrile","IUCrData","2020","5","6","x200800","","10.1107/S2414314620008007","","","1.54178","CuKα","","0.0669","0.0593","","","0.1785","0.188","","","","","","1.085","","","","has coordinates,has Fobs","253516","2020-10-21","18:00:00",""
"1558447","6.9234","0.0002","12.1772","0.0003","41.1985","0.0009","90","","90","","90","","3473.35","0.15","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Macropterin A","","","- C40 H56 O5 -","- C40 H56 O5 -","- C160 H224 O20 -","4","1","","Raksat, Achara; Aree, Thammarat; Pudhom, Khanitha","Pterolobirins A and B, Oxygen-Bridged Cassane Diterpenoid Dimers from the Fruits of Pterolobium macropterum","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00354","","","1.54178","CuKα","","0.0435","0.0418","","","0.1054","0.1066","","","","","","1.045","","","","has coordinates","253575","2020-10-21","18:00:00",""
"1558448","9.1387","0.001","24.286","0.003","38.773","0.004","90","","90","","90","","8605.4","1.7","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C400 H440 O120 -","20","5","","Rivera-Chávez, José; Bustos-Brito, Celia; Aguilar-Ramírez, Enrique; Martínez-Otero, Diego; Rosales-Vázquez, Luis D.; Dorazco-González, Alejandro; Cano-Sánchez, Patricia","Hydroxy-neo-Clerodanes and 5,10-seco-neo-Clerodanes from Salvia decora","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00313","","","1.54178","CuKα","","0.06","0.0583","","","0.1399","0.1413","","","","","","1.094","","","","has coordinates,has disorder","253576","2020-10-21","18:00:00",""
"1558449","12.3816","0.0004","7.604","0.0003","21.7468","0.0007","90","","101.769","0.0012","90","","2004.41","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22.61 H25.48 O7 -","- C22.607 H25.476 O7 -","- C90.428 H101.904 O28 -","4","2","","Rivera-Chávez, José; Bustos-Brito, Celia; Aguilar-Ramírez, Enrique; Martínez-Otero, Diego; Rosales-Vázquez, Luis D.; Dorazco-González, Alejandro; Cano-Sánchez, Patricia","Hydroxy-neo-Clerodanes and 5,10-seco-neo-Clerodanes from Salvia decora","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00313","","","1.54178","CuKα","","0.0356","0.0353","","","0.1006","0.101","","","","","","1.047","","","","has coordinates,has disorder","253577","2020-10-21","18:00:00",""
"1558450","22.2838","0.0007","27.0021","0.0009","29.9657","0.0006","87.829","0.002","86.244","0.002","70.024","0.003","16907.1","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C408 H400 N48 O64 Pd8 -","- C408 H400 N48 O64 Pd8 -","- C408 H400 N48 O64 Pd8 -","1","0.5","","He, Lizhen; Cai, Li-Xuan; Li, Meng-Hua; Zhang, Guanglu; Zhou, Lipeng; Chen, Tianfeng; Lin, Mei-Jin; Sun, Qing-Fu","Designing Highly Stable Coordination-Driven Metallacycle for Imaging-Guided Photodynamic Cancer Theranostics","Chemical Science","2020","","","","","10.1039/D0SC02236E","","","1.54184","CuKα","","0.1726","0.1135","","","0.2907","0.3556","","","","","","0.981","","","","has coordinates","253585","2020-10-21","18:00:00",""
"1558451","7.2134","0.0002","12.0436","0.0003","13.6068","0.0004","113.303","0.003","94.23","0.002","100.284","0.002","1054.5","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Au Br4 N2 -","- C20 H13 Au Br4 N2 -","- C40 H26 Au2 Br8 N4 -","2","1","","Reiersolmoen, Ann Chrisitn; Battaglia, Stefano; Øien-Ødegaard, Sigurd; Gupta, Arvind Kumar Kumar; Fiksdahl, Anne; Lindh, Roland; Erdelyi, Mate","Symmetry of Three-Center, Four-Electron Bonds","Chemical Science","2020","","","","","10.1039/D0SC02076A","","x-ray","0.71073","MoKα","","0.0527","0.0408","","","0.1062","0.1132","","","","","","1.035","","","","has coordinates,has disorder","253586","2020-10-21","18:00:00",""
"1558452","6.987","0.005","13.924","0.01","21.312","0.015","85.099","0.015","86.731","0.015","81.161","0.015","2039","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C20.66 H13.5 Ag B Cl1.5 F4 N2 -","- C20.658 H13.5 Ag B Cl1.5 F4 N2 -","- C82.632 H54 Ag4 B4 Cl6 F16 N8 -","4","2","","Reiersolmoen, Ann Chrisitn; Battaglia, Stefano; Øien-Ødegaard, Sigurd; Gupta, Arvind Kumar Kumar; Fiksdahl, Anne; Lindh, Roland; Erdelyi, Mate","Symmetry of Three-Center, Four-Electron Bonds","Chemical Science","2020","","","","","10.1039/D0SC02076A","","","0.71073","MoKα","","0.1252","0.0832","","","0.1778","0.2086","","","","","","1.042","","","","has coordinates,has disorder","253586","2020-10-21","18:00:00",""
"1558453","6.943","0.0004","14.1421","0.0009","21.3969","0.0014","85.536","0.002","86.97","0.002","78.487","0.002","2050.9","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C20.64 H13.44 Au B Cl1.44 F4 N2 -","- C20.6396 H13.44 Au1.00015 B Cl1.44 F4 N2 -","- C82.5584 H53.76 Au4.0006 B4 Cl5.76 F16 N8 -","4","2","","Reiersolmoen, Ann Chrisitn; Battaglia, Stefano; Øien-Ødegaard, Sigurd; Gupta, Arvind Kumar Kumar; Fiksdahl, Anne; Lindh, Roland; Erdelyi, Mate","Symmetry of Three-Center, Four-Electron Bonds","Chemical Science","2020","","","","","10.1039/D0SC02076A","","","0.71073","MoKα","","0.051","0.0342","","","0.0789","0.085","","","","","","1.056","","","","has coordinates,has disorder","253586","2020-10-21","18:00:00",""
"1558454","18.2569","0.0017","25.817","0.002","27.739","0.003","90","","90","","90","","13074","2","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C72 H36 B F24 N4 Na -","- C72 H36 B F24 N4 Na -","- C576 H288 B8 F192 N32 Na8 -","8","1","","Reiersolmoen, Ann Chrisitn; Battaglia, Stefano; Øien-Ødegaard, Sigurd; Gupta, Arvind Kumar Kumar; Fiksdahl, Anne; Lindh, Roland; Erdelyi, Mate","Symmetry of Three-Center, Four-Electron Bonds","Chemical Science","2020","","","","","10.1039/D0SC02076A","","x-ray","0.71073","MoKα","","0.145","0.1096","","","0.2315","0.25","","","","","","1.156","","","","has coordinates,has disorder","253586","2020-10-21","18:00:00",""
"1558455","7.0108","0.0004","14.2732","0.0008","21.1647","0.0012","86.903","0.001","87.804","0.001","77.898","0.001","2067","0.2","100","2","99.97","","","","","","","","","7","P -1","-P 1","2","","","","- C41.5 H27 B2 Cl3 F8 I2 N4 -","- C41.5004 H27 B2 Cl3 F8 I1.9998 N4 -","- C83.0008 H54 B4 Cl6 F16 I3.9996 N8 -","2","1","","Reiersolmoen, Ann Chrisitn; Battaglia, Stefano; Øien-Ødegaard, Sigurd; Gupta, Arvind Kumar Kumar; Fiksdahl, Anne; Lindh, Roland; Erdelyi, Mate","Symmetry of Three-Center, Four-Electron Bonds","Chemical Science","2020","","","","","10.1039/D0SC02076A","","x-ray","0.71073","MoKα","","0.056","0.0451","","","0.1165","0.1235","","","","","","1.039","","","","has coordinates,has disorder","253586","2020-10-21","18:00:00",""
"1558456","16.01","0.0014","12.5361","0.0011","16.3086","0.0018","90","","90.041","0.008","90","","3273.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2<i>H</i>-imidazol-2-ylidene]triiodoborane benzene hemisolvate","","- C30 H39 B I3 N2 -","- C30 H39 B I3 N2 -","- C120 H156 B4 I12 N8 -","4","1","HB4351","Schödel, Frauke; Lerner, Hans-Wolfram; Bolte, Michael","[1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2<i>H</i>-imidazol-2-ylidene]triiodoborane benzene hemisolvate","IUCrData","2020","5","6","x200863","","10.1107/S2414314620008639","","","0.71073","MoKα","","0.1191","0.0944","","","0.2575","0.2669","","","","","","1.134","","","","has coordinates,has Fobs","253607","2020-10-21","18:00:00",""
"1558460","5.90591","0.00005","16.31586","0.00014","19.9754","0.00017","90","","91.6764","0.0007","90","","1924.01","0.03","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14.5 O3.25 -","- C11 H14.5 O3.25 -","- C88 H116 O26 -","8","4","","Banwell, Martin G.; Liu, Xin; Connal, Luke A.; Gardiner, Michael G.","Synthesis of Functionally and Stereochemically Diverse Polymers via Ring-Opening Metathesis Polymerization of Derivatives of the Biomass-Derived Platform Molecule Levoglucosenone Produced at Industrial Scale","Macromolecules","2020","","","","","10.1021/acs.macromol.0c01305","","x-ray","1.54184","CuKα","","0.0273","0.0263","","","0.0649","0.0655","","","","","","1.04","","","","has coordinates","253639","2020-10-21","18:00:00",""
"1558461","6.947","0.0001","7.5101","0.0001","17.0105","0.0003","90","","90","","90","","887.48","0.02","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Banwell, Martin G.; Liu, Xin; Connal, Luke A.; Gardiner, Michael G.","Synthesis of Functionally and Stereochemically Diverse Polymers via Ring-Opening Metathesis Polymerization of Derivatives of the Biomass-Derived Platform Molecule Levoglucosenone Produced at Industrial Scale","Macromolecules","2020","","","","","10.1021/acs.macromol.0c01305","","x-ray","1.54184","CuKα","","0.0287","0.028","","","0.0709","0.0716","","","","","","1.075","","","","has coordinates","253640","2020-10-21","18:00:00",""
"1558462","9.9654","0.0001","9.084","0.0001","10.6678","0.0001","90","","107.529","0.001","90","","920.867","0.017","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","2","","Banwell, Martin G.; Liu, Xin; Connal, Luke A.; Gardiner, Michael G.","Synthesis of Functionally and Stereochemically Diverse Polymers via Ring-Opening Metathesis Polymerization of Derivatives of the Biomass-Derived Platform Molecule Levoglucosenone Produced at Industrial Scale","Macromolecules","2020","","","","","10.1021/acs.macromol.0c01305","","x-ray","1.54184","CuKα","","0.0262","0.0255","","","0.0659","0.0667","","","","","","1.041","","","","has coordinates","253641","2020-10-21","18:00:00",""
"1558463","11.3691","0.0001","13.8088","0.0001","12.4633","0.0001","90","","95.417","0.001","90","","1947.92","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 F3 N2 O2 -","- C22 H27 F3 N2 O2 -","- C88 H108 F12 N8 O8 -","4","1","","Jermaks, Janis; Quach, Phong; Seibel, Zara M.; Pomarole, Julien; Lambert, Tristan","Ring-Opening Carbonyl-Olefin Metathesis of Norbornenes","Chemical Science","2020","","","","","10.1039/D0SC02243H","","x-ray","1.54184","CuKα","","0.0396","0.0386","","","0.0988","0.0996","","","","","","1.034","","","","has coordinates","253645","2020-10-21","18:00:00",""
"1558464","5.6436","0.0001","36.318","0.0005","6.6768","0.0001","90","","107.69","0.002","90","","1303.79","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 F O2 -","- C16 H14 F O2 -","- C64 H56 F4 O8 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; Nguyen, Viet D.; Arman, Hadi; Larionov, Oleg V.","Deoxygenative α-Alkylation and α-Arylation of 1,2-Dicarbonyls","Chemical Science","2020","","","","","10.1039/D0SC03118F","","x-ray","1.54184","CuKα","","0.0621","0.06","","","0.1248","0.1258","","","","","","1.046","","","","has coordinates,has disorder","253646","2020-10-21","18:00:00",""
"1558465","11.3547","0.0002","17.4727","0.0004","14.737","0.0002","90","","99.889","0.002","90","","2880.34","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H47 B N3 O2 P -","- C28 H47 B N3 O2 P -","- C112 H188 B4 N12 O8 P4 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; Nguyen, Viet D.; Arman, Hadi; Larionov, Oleg V.","Deoxygenative α-Alkylation and α-Arylation of 1,2-Dicarbonyls","Chemical Science","2020","","","","","10.1039/D0SC03118F","","x-ray","1.54184","CuKα","","0.0528","0.0466","","","0.1124","0.1165","","","","","","1.012","","","","has coordinates","253646","2020-10-21","18:00:00",""
"1558466","23.0271","0.0003","5.7175","0.0001","20.879","0.0004","90","","90","","90","","2748.88","0.08","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C136 H136 N8 O16 -","8","2","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; Nguyen, Viet D.; Arman, Hadi; Larionov, Oleg V.","Deoxygenative α-Alkylation and α-Arylation of 1,2-Dicarbonyls","Chemical Science","2020","","","","","10.1039/D0SC03118F","","x-ray","1.54184","CuKα","","0.0596","0.0565","","","0.1278","0.1298","","","","","","1.079","","","","has coordinates","253646","2020-10-21","18:00:00",""
"1558467","7.157","0.0002","7.4823","0.0002","11.605","0.0004","90","","90.91","0.003","90","","621.38","0.03","98","2","98","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C32 H32 O4 -","2","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; Nguyen, Viet D.; Arman, Hadi; Larionov, Oleg V.","Deoxygenative α-Alkylation and α-Arylation of 1,2-Dicarbonyls","Chemical Science","2020","","","","","10.1039/D0SC03118F","","x-ray","0.71073","MoKα","","0.0392","0.0371","","","0.0902","0.0918","","","","","","1.037","","","","has coordinates","253646","2020-10-21","18:00:00",""
"1558471","9.6121","0.0006","14.2479","0.0007","14.6368","0.001","107.63","0.003","101.505","0.003","97.424","0.002","1833","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H31 Cl3 N4 -","- C45 H31 Cl3 N4 -","- C90 H62 Cl6 N8 -","2","1","","Ishizuka, Tomoya; Sakashita, Ryuichi; Iwanaga, Osamu; Morimoto, Tatsuki; Mori, Shigeki; Ishida, Masatoshi; Toganoh, Motoki; Takegoshi, Kiyonori; Osuka, Atsuhiro; Furuta, Hiroyuki","NH Tautomerism of N-Confused Porphyrin: Solvent/Substituent Effects and Isomerization Mechanism.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.0c04779","","","0.71069","MoKα","","0.0879","0.0741","","","0.2087","0.2216","","","","","","1.042","","","","has coordinates","253674","2020-10-21","18:00:00",""
"1558472","12.6211","0.0012","13.1779","0.0016","13.5455","0.0018","98.691","0.005","116.169","0.005","92.716","0.003","1982.2","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H44 N6 O2 -","- C50 H44 N6 O2 -","- C100 H88 N12 O4 -","2","1","","Ishizuka, Tomoya; Sakashita, Ryuichi; Iwanaga, Osamu; Morimoto, Tatsuki; Mori, Shigeki; Ishida, Masatoshi; Toganoh, Motoki; Takegoshi, Kiyonori; Osuka, Atsuhiro; Furuta, Hiroyuki","NH Tautomerism of N-Confused Porphyrin: Solvent/Substituent Effects and Isomerization Mechanism.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.0c04779","","","0.71069","MoKα","","0.1447","0.0698","","","0.1612","0.1923","","","","","","0.939","","","","has coordinates,has disorder","253675","2020-10-21","18:00:00",""
"1558473","14.3901","0.0005","8.4196","0.0003","15.7484","0.0006","90","","95.333","0.003","90","","1899.8","0.12","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 N4 -","- C48 H37.48 N4 -","- C96 H74.96 N8 -","2","0.5","","Ishizuka, Tomoya; Sakashita, Ryuichi; Iwanaga, Osamu; Morimoto, Tatsuki; Mori, Shigeki; Ishida, Masatoshi; Toganoh, Motoki; Takegoshi, Kiyonori; Osuka, Atsuhiro; Furuta, Hiroyuki","NH Tautomerism of N-Confused Porphyrin: Solvent/Substituent Effects and Isomerization Mechanism.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.0c04779","","","0.71069","MoKα","","0.0989","0.0624","","","0.1622","0.1834","","","","","","0.957","","","","has coordinates,has disorder","253676","2020-10-21","18:00:00",""
"1558474","8.7618","0.0008","13.5724","0.0011","14.6798","0.001","74.067","0.003","85.926","0.002","73.962","0.002","1613.3","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H32 N4 O -","- C44 H32 N4 O -","- C88 H64 N8 O2 -","2","1","","Ishizuka, Tomoya; Sakashita, Ryuichi; Iwanaga, Osamu; Morimoto, Tatsuki; Mori, Shigeki; Ishida, Masatoshi; Toganoh, Motoki; Takegoshi, Kiyonori; Osuka, Atsuhiro; Furuta, Hiroyuki","NH Tautomerism of N-Confused Porphyrin: Solvent/Substituent Effects and Isomerization Mechanism.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.0c04779","","","0.71069","MoKα","","0.1619","0.079","","","0.1505","0.1784","","","","","","1.006","","","","has coordinates,has disorder","253677","2020-10-21","18:00:00",""
"1558475","10.7032","0.0005","6.6627","0.0003","16.9382","0.0008","90","","92.303","0.002","90","","1206.92","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Vik, Erik C.; Li, Ping; Maier, Josef M.; Madukwe, Daniel O.; Rassolov, Vitaly A.; Pellechia, Perry J.; Masson, Eric; Shimizu, Ken D.","Large Transition State Stabilization from a Weak Hydrogen Bond","Chemical Science","2020","","","","","10.1039/D0SC02806A","","x-ray","0.71073","MoKα","","0.0525","0.0401","","","0.0967","0.1027","","","","","","1.046","","","","has coordinates,has disorder","253683","2020-10-21","18:00:00",""
"1558476","25.6129","0.0011","7.265","0.0003","7.5367","0.0003","90","","90","","90","","1402.41","0.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Vik, Erik C.; Li, Ping; Maier, Josef M.; Madukwe, Daniel O.; Rassolov, Vitaly A.; Pellechia, Perry J.; Masson, Eric; Shimizu, Ken D.","Large Transition State Stabilization from a Weak Hydrogen Bond","Chemical Science","2020","","","","","10.1039/D0SC02806A","","x-ray","0.71073","MoKα","","0.0298","0.0278","","","0.0735","0.0748","","","","","","1.032","","","","has coordinates","253683","2020-10-21","18:00:00",""
"1558477","7.7842","0.0005","9.7899","0.0006","10.0423","0.0006","81.677","0.002","82.193","0.002","67.584","0.002","697.29","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O5 -","- C16 H14 N2 O5 -","- C32 H28 N4 O10 -","2","1","","Vik, Erik C.; Li, Ping; Maier, Josef M.; Madukwe, Daniel O.; Rassolov, Vitaly A.; Pellechia, Perry J.; Masson, Eric; Shimizu, Ken D.","Large Transition State Stabilization from a Weak Hydrogen Bond","Chemical Science","2020","","","","","10.1039/D0SC02806A","","x-ray","0.71073","MoKα","","0.0645","0.044","","","0.1003","0.1111","","","","","","1.029","","","","has coordinates","253683","2020-10-21","18:00:00",""
"1558478","21.357","0.0009","6.819","0.0003","20.0691","0.0008","90","","115.008","0.001","90","","2648.72","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cl N O3 -","- C15 H12 Cl N O3 -","- C120 H96 Cl8 N8 O24 -","8","2","","Vik, Erik C.; Li, Ping; Maier, Josef M.; Madukwe, Daniel O.; Rassolov, Vitaly A.; Pellechia, Perry J.; Masson, Eric; Shimizu, Ken D.","Large Transition State Stabilization from a Weak Hydrogen Bond","Chemical Science","2020","","","","","10.1039/D0SC02806A","","x-ray","0.71073","MoKα","","0.0669","0.0426","","","0.0909","0.1019","","","","","","1.017","","","","has coordinates","253683","2020-10-21","18:00:00",""
"1558479","17.4699","0.0012","6.8917","0.0005","22.137","0.002","90","","103.57","0.0016","90","","2590.8","0.3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C15 H12 Cl N O3 -","- C15 H11 Cl N O3 -","- C120 H88 Cl8 N8 O24 -","8","1","","Vik, Erik C.; Li, Ping; Maier, Josef M.; Madukwe, Daniel O.; Rassolov, Vitaly A.; Pellechia, Perry J.; Masson, Eric; Shimizu, Ken D.","Large Transition State Stabilization from a Weak Hydrogen Bond","Chemical Science","2020","","","","","10.1039/D0SC02806A","","x-ray","0.71073","MoKα","","0.0557","0.0524","","","0.1264","0.1277","","","","","","1.301","","","","has coordinates,has disorder","253683","2020-10-21","18:00:00",""
"1558480","9.8726","0.0005","10.9075","0.0005","12.7229","0.0006","90","","90","","90","","1370.07","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl N O3 -","- C16 H14 Cl N O3 -","- C64 H56 Cl4 N4 O12 -","4","1","","Vik, Erik C.; Li, Ping; Maier, Josef M.; Madukwe, Daniel O.; Rassolov, Vitaly A.; Pellechia, Perry J.; Masson, Eric; Shimizu, Ken D.","Large Transition State Stabilization from a Weak Hydrogen Bond","Chemical Science","2020","","","","","10.1039/D0SC02806A","","x-ray","0.71073","MoKα","","0.0309","0.0272","","","0.0636","0.0655","","","","","","1.029","","","","has coordinates","253683","2020-10-21","18:00:00",""
"1558481","16.5707","0.0018","16.9084","0.0019","21.231","0.002","105.174","0.004","96.576","0.004","109.461","0.004","5278.5","1","232","2","232","2","","","","","","","","6","P -1","-P 1","2","","","","- C101 H157 Cl Ir N2 Si7 -","- C101 H157 Cl Ir N2 Si7 -","- C202 H314 Cl2 Ir2 N4 Si14 -","2","1","","Poitiers, Nadine Elisabeth; Giarrana, Luisa; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Exohedral functionalization vs. core expansion of siliconoids with Group 9 metals: catalytic activity in alkene isomerization","Chemical Science","2020","","","","","10.1039/D0SC02861D","","","0.71073","MoKα","","0.0797","0.0491","","","0.1193","0.134","","","","","","1.009","","","","has coordinates,has disorder","253684","2020-10-21","18:00:00",""
"1558482","14.9387","0.0008","17.6518","0.0009","21.0713","0.0011","102.165","0.003","92.721","0.003","108.26","0.003","5119.4","0.5","142","2","142","2","","","","","","","","7","P -1","-P 1","2","","","","- C105 H154 Cl N2 O Rh Si7 -","- C105 H154 Cl N2 O Rh Si7 -","- C210 H308 Cl2 N4 O2 Rh2 Si14 -","2","1","","Poitiers, Nadine Elisabeth; Giarrana, Luisa; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Exohedral functionalization vs. core expansion of siliconoids with Group 9 metals: catalytic activity in alkene isomerization","Chemical Science","2020","","","","","10.1039/D0SC02861D","","","0.71073","MoKα","","0.0847","0.0487","","","0.1049","0.1199","","","","","","1.017","","","","has coordinates,has disorder","253684","2020-10-21","18:00:00",""
"1558483","15.7798","0.0019","26.095","0.003","27.363","0.004","104.327","0.006","106.15","0.006","90.156","0.006","10455","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C101 H157 Cl Ir N2 Si6 Sn -","- C101 H157 Cl Ir N2 Si6 Sn -","- C404 H628 Cl4 Ir4 N8 Si24 Sn4 -","4","2","","Poitiers, Nadine Elisabeth; Giarrana, Luisa; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Exohedral functionalization vs. core expansion of siliconoids with Group 9 metals: catalytic activity in alkene isomerization","Chemical Science","2020","","","","","10.1039/D0SC02861D","","","0.71073","MoKα","","0.1945","0.1685","","","0.3641","0.3704","","","","","","2.47","","","","has coordinates,has disorder","253684","2020-10-21","18:00:00",""
"1558484","37.608","0.004","13.6961","0.0014","18.1426","0.0019","90","","90","","90","","9344.9","1.7","142","2","142","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C92 H138 Cl N2 O2 Rh Si7 -","- C92 H138 Cl N2 O2 Rh Si7 -","- C368 H552 Cl4 N8 O8 Rh4 Si28 -","4","1","","Poitiers, Nadine Elisabeth; Giarrana, Luisa; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Exohedral functionalization vs. core expansion of siliconoids with Group 9 metals: catalytic activity in alkene isomerization","Chemical Science","2020","","","","","10.1039/D0SC02861D","","","0.71073","MoKα","","0.0566","0.0408","","","0.076","0.0807","","","","","","1.008","","","","has coordinates,has disorder","253684","2020-10-21","18:00:00",""
"1558485","29.9006","0.0013","22.525","0.0008","32.5302","0.0012","90","","103.5","0.002","90","","21304.1","1.4","202","2","202","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C104 H164 Cl Ge N2 Rh Si6 -","- C104 H164 Cl Ge N2 Rh Si6 -","- C832 H1312 Cl8 Ge8 N16 Rh8 Si48 -","8","2","","Poitiers, Nadine Elisabeth; Giarrana, Luisa; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Exohedral functionalization vs. core expansion of siliconoids with Group 9 metals: catalytic activity in alkene isomerization","Chemical Science","2020","","","","","10.1039/D0SC02861D","","","0.71073","MoKα","","0.1527","0.0639","","","0.1422","0.1768","","","","","","1.024","","","","has coordinates,has disorder","253684","2020-10-21","18:00:00",""
"1558486","15.7711","0.0004","31.3736","0.0008","21.3327","0.0006","90","","106.081","0.002","90","","10142.3","0.5","152","2","152","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C101 H157 Cl Ge Ir N2 Si6 -","- C101 H157 Cl Ge Ir N2 Si6 -","- C404 H628 Cl4 Ge4 Ir4 N8 Si24 -","4","1","","Poitiers, Nadine Elisabeth; Giarrana, Luisa; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Exohedral functionalization vs. core expansion of siliconoids with Group 9 metals: catalytic activity in alkene isomerization","Chemical Science","2020","","","","","10.1039/D0SC02861D","","","0.71073","MoKα","","0.0437","0.0332","","","0.0676","0.0711","","","","","","1.144","","","","has coordinates,has disorder","253684","2020-10-21","18:00:00",""
"1558490","26.2086","0.0008","27.5599","0.0008","28.9629","0.0008","90","","90","","90","","20920.1","1.1","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C95 H104 B2 Cl2 Co2 F10 O12 P6 -","- C95 H104 B2 Cl2 Co2 F10 O12 P6 -","- C760 H832 B16 Cl16 Co16 F80 O96 P48 -","8","1","","Papa, Veronica; Cabrero-Antonino, Jose R.; Spannenberg, Anke; Junge, Kathrin; Beller, Matthias","Homogeneous cobalt-catalyzed deoxygenative hydrogenation of amides to amines","Catalysis Science & Technology","2020","10","18","6116","6128","10.1039/D0CY01078B","","","1.54178","CuKα","","0.056","0.0509","","","0.1304","0.1345","","","","","","1.028","","","","has coordinates,has disorder","257217","2020-10-21","18:00:00",""
"1558491","16.0816","0.0008","18.5757","0.001","5.1129","0.0003","90","","90","","90","","1527.36","0.14","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H14 N4 -","- C19 H14 N4 -","- C76 H56 N16 -","4","1","","Szukalski, Adam; Haupa, Karolina A.; Janczak, Jan; Przybył, Bartosz; Sznitko, Lech; Myśliwiec, Jarosław","Lasing Properties Activation by Constitutional Isomerism of an Electron-Accepting Group","The Journal of Physical Chemistry C","2020","124","25","13845","13857","10.1021/acs.jpcc.0c01054","","","0.71073","MoKα","","0.0724","0.0343","","","0.0498","0.0542","","","","","","1","","","","has coordinates","257156","2020-10-21","18:00:00",""
"1558492","27.9461","0.0011","8.4289","0.0003","13.7881","0.0006","90","","105.092","0.004","90","","3135.8","0.2","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 N4 -","- C19 H14 N4 -","- C152 H112 N32 -","8","1","","Szukalski, Adam; Haupa, Karolina A.; Janczak, Jan; Przybył, Bartosz; Sznitko, Lech; Myśliwiec, Jarosław","Lasing Properties Activation by Constitutional Isomerism of an Electron-Accepting Group","The Journal of Physical Chemistry C","2020","124","25","13845","13857","10.1021/acs.jpcc.0c01054","","","0.71073","MoKα","","0.0862","0.0373","","","0.0806","0.0877","","","","","","1.001","","","","has coordinates","257156","2020-10-21","18:00:00",""
"1558493","6.473","0.003","9.639","0.005","8.579","0.004","90","","100.009","0.007","90","","527.1","0.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F6 H12 Mn O6 Si -","- F6 H12 Mn O6 Si -","- F12 H24 Mn2 O12 Si2 -","2","0.5","","MIKURIYA, Masahiro; WATANABE, Nanami; KOYAMA, Yoshiki; YOSHIOKA, Daisuke; OGAWA, Junya; MITSUHASHI, Ryoji; HANDA, Makoto","Crystal Structure and Magnetic Property of Manganese(II) Hexafluorosilicate Hexahydrate","X-ray Structure Analysis Online","2020","36","0","17","19","10.2116/xraystruct.36.17","","","0.71073","MoKα","","0.0481","0.033","","","0.0694","0.0734","","","","","","1.097","","","","has coordinates,has disorder","258163","2020-10-21","18:00:00",""
"1558494","33.04569","0.00013","30.13654","0.00016","39.97965","0.00019","90","","96.4337","0.0004","90","","39564.3","0.3","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C376 H392 B16 Co8 F64 N72 O33 -","- C351 H287 B14.5 Co8 F58 N72 O8 -","- C1404 H1148 B58 Co32 F232 N288 O32 -","4","0.5","","Taylor, Christopher G. P.; Train, Jennifer S.; Ward, Michael D.","Interactions of Small-Molecule Guests with Interior and Exterior Surfaces of a Coordination Cage Host","Chemistry","2020","2","2","510","524","10.3390/chemistry2020031","","","0.6889","Synchrotron","","0.0971","0.0719","","","0.2392","0.2596","","","","","","1.079","","","","has coordinates,has disorder","258182","2020-10-21","18:00:00",""
"1558495","32.8649","0.0002","29.89225","0.00018","40.5389","0.0004","90","","95.9164","0.0007","90","","39613.5","0.5","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C395.5 H411 B16 Co8 F64 N72 O35 -","- C367.428 H298.92 B14.338 Co8 F54.352 N72 O6.984 -","- C1469.71 H1195.68 B57.352 Co32 F217.408 N288 O27.936 -","4","0.5","","Taylor, Christopher G. P.; Train, Jennifer S.; Ward, Michael D.","Interactions of Small-Molecule Guests with Interior and Exterior Surfaces of a Coordination Cage Host","Chemistry","2020","2","2","510","524","10.3390/chemistry2020031","","","0.6889","Synchrotron","","0.1351","0.0853","","","0.2817","0.3169","","","","","","1.065","","","","has coordinates","258182","2020-10-21","18:00:00",""
"1558496","32.81236","0.00007","30.21497","0.00006","40.09564","0.00008","90","","96.3312","0.00019","90","","39509.4","0.14","100","1","100","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C380.04 H422.24 B16 Co8 F64 N73.12 O38.44 S1.12 -","- C343.984 H278.215 B16 Co8 F61 N73.1076 O2.4462 S1.1076 -","- C1375.94 H1112.86 B64 Co32 F244 N292.43 O9.7848 S4.4304 -","4","0.5","","Taylor, Christopher G. P.; Train, Jennifer S.; Ward, Michael D.","Interactions of Small-Molecule Guests with Interior and Exterior Surfaces of a Coordination Cage Host","Chemistry","2020","2","2","510","524","10.3390/chemistry2020031","","","0.6889","Synchrotron","","0.0926","0.0672","","","0.2167","0.2358","","","","","","1.098","","","","has coordinates,has disorder","258182","2020-10-21","18:00:00",""
"1558497","32.8588","0.00017","30.06718","0.00013","40.1053","0.0002","90","","96.0585","0.0005","90","","39401.6","0.3","100","1","100","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C377 H416 B16 Cl2 Co8 F64 N72 O39 -","- C339 H262 B9.17 Cl2 Co8 F33.68 N72 O -","- C1356 H1048 B36.68 Cl8 Co32 F134.72 N288 O4 -","4","0.5","","Taylor, Christopher G. P.; Train, Jennifer S.; Ward, Michael D.","Interactions of Small-Molecule Guests with Interior and Exterior Surfaces of a Coordination Cage Host","Chemistry","2020","2","2","510","524","10.3390/chemistry2020031","","","0.6889","Synchrotron","","0.1176","0.0827","","","0.2785","0.3038","","","","","","1.091","","","","has coordinates,has disorder","258182","2020-10-21","18:00:00",""
"1558498","32.56923","0.0001","30.16165","0.0001","40.83634","0.00017","90","","95.9061","0.0003","90","","39902.3","0.2","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C407.8 H417.66 B16 Co8 F64 N72 O31.03 -","- C376.05 H308.5 B14.4526 Co8 F54.8104 N72 O5.28 -","- C1504.2 H1234 B57.8104 Co32 F219.242 N288 O21.12 -","4","0.5","","Taylor, Christopher G. P.; Train, Jennifer S.; Ward, Michael D.","Interactions of Small-Molecule Guests with Interior and Exterior Surfaces of a Coordination Cage Host","Chemistry","2020","2","2","510","524","10.3390/chemistry2020031","","","0.6889","Synchrotron","","0.1201","0.0827","","","0.2704","0.2981","","","","","","1.083","","","","has coordinates,has disorder","258182","2020-10-21","18:00:00",""
"1558499","22.7973","0.0004","9.9833","0.0002","17.0522","0.0003","90","","99.954","0.002","90","","3822.53","0.12","296","1","296","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Stanfieldite","- Ca7.97 Fe0.56 Mg9.47 O48 P12 -","- Ca7.96 Fe0.566 Mg9.458 O48 P12 -","- Ca31.84 Fe2.264 Mg37.832 O192 P48 -","4","0.5","","Britvin, Sergey N.; Krzhizhanovskaya, Maria G.; Bocharov, Vladimir N.; Obolonskaya, Edita V.","Crystal Chemistry of Stanfieldite, Ca7M2Mg9(PO4)12 (M = Ca, Mg, Fe2+), a Structural Base of Ca3Mg3(PO4)4 Phosphors","Crystals","2020","10","6","464","","10.3390/cryst10060464","","x-ray","0.71073","MoKα","","0.0511","0.0339","","","0.0781","0.082","","","","","","0.921","","","","has coordinates","254013","2020-10-21","18:00:00",""
"1558500","7.8673","0.0005","11.0031","0.0007","11.7131","0.0006","82.325","0.002","89.994","0.002","81.179","0.002","992.76","0.1","100","2","100","","","","","","","","","6","P -1","-P 1","2","4,7-dichloroquinoline copper bromide comp","","","- C36 H20 Br3.77 Cl8 Cu2 N4 -","- C36 H20 Br3.7744 Cl8 Cu2 N4 -","- C36 H20 Br3.7744 Cl8 Cu2 N4 -","1","0.5","","Finocchio, Giada; Rizzato, Silvia; Macetti, Giovanni; Tusha, Gers; Lo Presti, Leonardo","Unravelling the Chemistry of the [Cu(4,7-Dichloroquinoline)2Br2]2 Dimeric Complex through Structural Analysis: A Borderline Ligand Field Case","Crystals","2020","10","6","477","","10.3390/cryst10060477","","","0.71073","MoKα","","0.0339","0.025","","","0.0636","0.0671","","","","","","1.062","","","","has coordinates","254015","2020-10-21","18:00:00",""
"1558501","19.6546","0.0008","17.9133","0.0006","24.0581","0.0011","90","","112.816","0.005","90","","7807.6","0.6","123","2","123","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C18 H13.5 B Cu F4 N6 O0.75 -","- C18 H13.5 B Cu F3.999 N6 O0.75 -","- C288 H216 B16 Cu16 F63.984 N96 O12 -","16","4","","Beveridge, Stuart; McAnally, Craig A.; Nichol, Gary S.; Kennedy, Alan R.; Cussen, Edmund J.; Fletcher, Ashleigh J.","Unexpected Selective Gas Adsorption on a ‘Non-Porous’ Metal Organic Framework","Crystals","2020","10","6","548","","10.3390/cryst10060548","","","0.71073","MoKα","","0.0666","0.051","","","0.1226","0.1341","","","","","","1.037","","","","has coordinates,has disorder","254016","2020-10-21","18:00:00",""
"1558504","9.77217","0.00005","9.81597","0.00005","13.76057","0.00008","90","","90","","90","","1319.96","0.012","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Li, Huaqiang; Zhang, Runge; Cao, Fei; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Proversilins A-E, Drimane-Type Sesquiterpenoids from the Endophytic <i>Aspergillus versicolor</i>.","Journal of natural products","2020","83","7","2200","2206","10.1021/acs.jnatprod.0c00298","","x-ray","1.54184","CuKα","","0.0267","0.0267","","","0.0684","0.0684","","","","","","1.095","","","","has coordinates","254775","2020-10-21","18:00:00",""
"1558505","5.42071","0.0001","12.6801","0.0003","14.9194","0.0003","90","","90","","90","","1025.49","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","","Li, Huaqiang; Zhang, Runge; Cao, Fei; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Proversilins A-E, Drimane-Type Sesquiterpenoids from the Endophytic <i>Aspergillus versicolor</i>.","Journal of natural products","2020","83","7","2200","2206","10.1021/acs.jnatprod.0c00298","","x-ray","1.54184","CuKα","","0.046","0.0448","","","0.1128","0.1139","","","","","","1.076","","","","has coordinates","254775","2020-10-21","18:00:00",""
"1558506","6.34756","0.00013","7.9249","0.0002","13.5609","0.0003","90","","93.6003","0.0019","90","","680.82","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","Li, Huaqiang; Zhang, Runge; Cao, Fei; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Proversilins A-E, Drimane-Type Sesquiterpenoids from the Endophytic <i>Aspergillus versicolor</i>.","Journal of natural products","2020","83","7","2200","2206","10.1021/acs.jnatprod.0c00298","","x-ray","1.54184","CuKα","","0.0386","0.0384","","","0.1027","0.1031","","","","","","1.057","","","","has coordinates","254775","2020-10-21","18:00:00",""
"1558507","8.6917","0.0002","15.6895","0.0005","17.8706","0.0006","90","","101.494","0.002","90","","2388.11","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cl N7 O -","- C24 H26 Cl N7 O -","- C96 H104 Cl4 N28 O4 -","4","1","","Hussain, MD. Waseem; Bhardwaj, Vipin; Giri, Arkaprabha; Chande, Ajit; Patra, Abhijit","Multifunctional ionic porous frameworks for CO2 conversion and combating microbes","Chemical Science","2020","11","30","7910","7920","10.1039/D0SC01658F","","","0.71073","MoKα","","0.1177","0.0677","","","0.1662","0.1939","","","","","","1.069","","","","has coordinates","257374","2020-10-21","18:00:00",""
"1558508","12.389","0.0005","12.5456","0.0004","7.5297","0.0003","90","","99.928","0.004","90","","1152.8","0.08","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Butyl-2-hydroxy-1-naphthaldehyde","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","","Wu, An; Qian, Hui; Zhao, Wanxiang; Sun, Jianwei","Benzannulation of Isobenzopyryliums with Electron-Rich Alkynes: A Modular Access to β-Functionalized Naphthalenes","Chemical Science","2020","","","","","10.1039/D0SC02502J","","x-ray","0.71073","MoKα","","0.0634","0.0434","","","0.1029","0.1124","","","","","","1.003","","","","has coordinates","254040","2020-10-21","18:00:00",""
"1558509","7.37471","0.00014","19.0645","0.0003","9.32895","0.00018","90","","111.872","0.002","90","","1217.19","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Butyl-7-fluoro-2-hydroxy-1-naphthaldehyde","","- C15 H15 F O2 -","- C15 H15 F O2 -","- C60 H60 F4 O8 -","4","1","","Wu, An; Qian, Hui; Zhao, Wanxiang; Sun, Jianwei","Benzannulation of Isobenzopyryliums with Electron-Rich Alkynes: A Modular Access to β-Functionalized Naphthalenes","Chemical Science","2020","","","","","10.1039/D0SC02502J","","x-ray","1.54184","CuKα","","0.0325","0.0307","","","0.0798","0.0814","","","","","","1.001","","","","has coordinates","254040","2020-10-21","18:00:00",""
"1558510","6.0977","0.0004","8.3134","0.0006","18.1062","0.0012","90","","97.792","0.002","90","","909.38","0.11","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 O2 P -","- C22 H21 O2 P -","- C44 H42 O4 P2 -","2","1","","Yang, Zhiping; Gu, Xiaodong; Han, Li-Biao; Wang, Jun (Joelle)","Palladium-catalyzed asymmetric hydrophosphorylation of alkynes: facile access to P-stereogenic phosphinates","Chemical Science","2020","11","28","7451","7455","10.1039/D0SC01049A","","x-ray","0.71073","MoKα","","0.0556","0.0517","","","0.1306","0.1334","","","","","","1.077","","","","has coordinates","257283","2020-10-21","18:00:00",""
"1558511","11.7351","0.0011","15.9629","0.0019","21.44","0.003","90","","90","","90","","4016.3","0.8","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H25 B F4 Te -","- C19 H25 B F4 Te -","- C152 H200 B8 F32 Te8 -","8","1","","Zhou, Benyu; Gabbaï, François P.","Redox-controlled chalcogen-bonding at tellurium: Impact on Lewis acidity and chloride anion transport properties","Chemical Science","2020","","","","","10.1039/D0SC02872J","","x-ray","0.71073","MoKα","","0.0823","0.0669","","","0.168","0.1889","","","","","","1.075","","","","has coordinates,has disorder","254042","2020-10-21","18:00:00",""
"1558512","12.377","0.0014","11.7628","0.0014","13.8733","0.0017","90","","115.705","0.004","90","","1819.9","0.4","110","2","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","pentafluorophenyl mesityl methyl telluronium tetrafluoroborate","","- C16 H14 B F9 Te -","- C16 H14 B F9 Te -","- C64 H56 B4 F36 Te4 -","4","1","","Zhou, Benyu; Gabbaï, François P.","Redox-controlled chalcogen-bonding at tellurium: Impact on Lewis acidity and chloride anion transport properties","Chemical Science","2020","","","","","10.1039/D0SC02872J","","","0.71073","MoKα","","0.0324","0.0256","","","0.0569","0.0623","","","","","","1.118","","","","has coordinates","254042","2020-10-21","18:00:00",""
"1558513","8.5716","0.0003","7.433","0.0002","25.0537","0.0008","90","","97.146","0.001","90","","1583.84","0.09","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H3 B F14 Te -","- C13 H3 B F14 Te -","- C52 H12 B4 F56 Te4 -","4","1","","Zhou, Benyu; Gabbaï, François P.","Redox-controlled chalcogen-bonding at tellurium: Impact on Lewis acidity and chloride anion transport properties","Chemical Science","2020","","","","","10.1039/D0SC02872J","","","0.71073","MoKα","","0.0369","0.0248","","","0.046","0.0507","","","","","","1.102","","","","has coordinates","254042","2020-10-21","18:00:00",""
"1558521","7.9639","0.0002","8.3386","0.0002","28.4084","0.0008","90","","90","","90","","1886.54","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O6 -","- C20 H30 O6 -","- C80 H120 O24 -","4","1","","Pu, De-Bing; Zhang, Xing-Jie; Bi, De-Wen; Gao, Jun-Bo; Yang, Yan; Li, Xiao-Li; Lin, Jing; Li, Xiao-Nian; Zhang, Rui-Han; Xiao, Wei-Lie","Callicarpins, Two Classes of Rearranged <i>ent</i>-Clerodane Diterpenoids from <i>Callicarpa</i> Plants Blocking NLRP3 Inflammasome-Induced Pyroptosis.","Journal of natural products","2020","83","7","2191","2199","10.1021/acs.jnatprod.0c00288","","","1.54178","CuKα","","0.0345","0.0343","","","0.0909","0.091","","","","","","1.059","","","","has coordinates,has disorder","254773","2020-10-21","18:00:00",""
"1558522","7.8764","0.0007","8.2662","0.0007","31.176","0.003","90","","90","","90","","2029.8","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O6 -","- C21 H32 O6 -","- C84 H128 O24 -","4","1","","Pu, De-Bing; Zhang, Xing-Jie; Bi, De-Wen; Gao, Jun-Bo; Yang, Yan; Li, Xiao-Li; Lin, Jing; Li, Xiao-Nian; Zhang, Rui-Han; Xiao, Wei-Lie","Callicarpins, Two Classes of Rearranged <i>ent</i>-Clerodane Diterpenoids from <i>Callicarpa</i> Plants Blocking NLRP3 Inflammasome-Induced Pyroptosis.","Journal of natural products","2020","83","7","2191","2199","10.1021/acs.jnatprod.0c00288","","","1.54178","CuKα","","0.0398","0.0397","","","0.101","0.1012","","","","","","1.12","","","","has coordinates","254773","2020-10-21","18:00:00",""
"1558523","10.7266","0.0006","10.6192","0.0006","16.318","0.0009","90","","100.492","0.002","90","","1827.67","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H29 O5.5 -","- C19 H28 O5.5 -","- C76 H112 O22 -","4","2","","Pu, De-Bing; Zhang, Xing-Jie; Bi, De-Wen; Gao, Jun-Bo; Yang, Yan; Li, Xiao-Li; Lin, Jing; Li, Xiao-Nian; Zhang, Rui-Han; Xiao, Wei-Lie","Callicarpins, Two Classes of Rearranged <i>ent</i>-Clerodane Diterpenoids from <i>Callicarpa</i> Plants Blocking NLRP3 Inflammasome-Induced Pyroptosis.","Journal of natural products","2020","83","7","2191","2199","10.1021/acs.jnatprod.0c00288","","","1.54178","CuKα","","0.0466","0.0461","","","0.1242","0.1248","","","","","","1.037","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1558524","8.4232","0.0011","30.675","0.004","8.5481","0.0011","90","","101.44","0.006","90","","2164.8","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","xpc67","","","- C21 H34 O8 -","- C21 H32 O8 -","- C84 H128 O32 -","4","2","","Pu, De-Bing; Zhang, Xing-Jie; Bi, De-Wen; Gao, Jun-Bo; Yang, Yan; Li, Xiao-Li; Lin, Jing; Li, Xiao-Nian; Zhang, Rui-Han; Xiao, Wei-Lie","Callicarpins, Two Classes of Rearranged <i>ent</i>-Clerodane Diterpenoids from <i>Callicarpa</i> Plants Blocking NLRP3 Inflammasome-Induced Pyroptosis.","Journal of natural products","2020","83","7","2191","2199","10.1021/acs.jnatprod.0c00288","","","1.54178","CuKα","","0.1566","0.1454","","","0.3939","0.4141","","","","","","1.752","","","","has coordinates","254773","2020-10-21","18:00:00",""
"1558525","6.6138","0.0003","10.491","0.0005","18.5288","0.0009","90","","99.538","0.002","90","","1267.86","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H36 O9 -","- C26 H36 O9 -","- C52 H72 O18 -","2","1","","Pu, De-Bing; Zhang, Xing-Jie; Bi, De-Wen; Gao, Jun-Bo; Yang, Yan; Li, Xiao-Li; Lin, Jing; Li, Xiao-Nian; Zhang, Rui-Han; Xiao, Wei-Lie","Callicarpins, Two Classes of Rearranged <i>ent</i>-Clerodane Diterpenoids from <i>Callicarpa</i> Plants Blocking NLRP3 Inflammasome-Induced Pyroptosis.","Journal of natural products","2020","83","7","2191","2199","10.1021/acs.jnatprod.0c00288","","","1.54178","CuKα","","0.0346","0.0336","","","0.1034","0.1058","","","","","","0.916","","","","has coordinates","254773","2020-10-21","18:00:00",""
"1558526","7.9409","0.0001","11.0197","0.0002","18.8393","0.0003","90","","90","","90","","1648.56","0.04","170","2","169.98","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Li, Hao; Liang, Yu-Ru; Chen, Shao-Xin; Wang, Wen-Xuan; Zou, Yike; Nuryyeva, Selbi; Houk, K. N.; Xiong, Juan; Hu, Jin-Feng","Amentotaxins C-V, Structurally Diverse Diterpenoids from the Leaves and Twigs of the Vulnerable Conifer <i>Amentotaxus argotaenia</i> and Their Cytotoxic Effects.","Journal of natural products","2020","83","7","2129","2144","10.1021/acs.jnatprod.0c00064","","","1.34139","GaKα","","0.0359","0.0347","","","0.111","0.1135","","","","","","1.01","","","","has coordinates","254774","2020-10-21","18:00:00",""
"1558527","7.6538","0.0003","22.4697","0.001","44.905","0.002","90","","90","","90","","7722.7","0.6","170","2","170.02","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H33 O3.5 -","- C20 H33 O3.5 -","- C320 H528 O56 -","16","4","","Li, Hao; Liang, Yu-Ru; Chen, Shao-Xin; Wang, Wen-Xuan; Zou, Yike; Nuryyeva, Selbi; Houk, K. N.; Xiong, Juan; Hu, Jin-Feng","Amentotaxins C-V, Structurally Diverse Diterpenoids from the Leaves and Twigs of the Vulnerable Conifer <i>Amentotaxus argotaenia</i> and Their Cytotoxic Effects.","Journal of natural products","2020","83","7","2129","2144","10.1021/acs.jnatprod.0c00064","","","1.34139","GaKα","","0.1498","0.1107","","","0.2428","0.2662","","","","","","0.993","","","","has coordinates","254774","2020-10-21","18:00:00",""
"1558528","6.7321","0.0003","13.4089","0.0006","37.6911","0.0017","90","","90","","90","","3402.4","0.3","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19.5 H28 O3.5 -","- C19.5 H28 O3.5 -","- C156 H224 O28 -","8","2","","Li, Hao; Liang, Yu-Ru; Chen, Shao-Xin; Wang, Wen-Xuan; Zou, Yike; Nuryyeva, Selbi; Houk, K. N.; Xiong, Juan; Hu, Jin-Feng","Amentotaxins C-V, Structurally Diverse Diterpenoids from the Leaves and Twigs of the Vulnerable Conifer <i>Amentotaxus argotaenia</i> and Their Cytotoxic Effects.","Journal of natural products","2020","83","7","2129","2144","10.1021/acs.jnatprod.0c00064","","","1.34139","GaKα","","0.0544","0.0461","","","0.1247","0.1347","","","","","","1.079","","","","has coordinates","254774","2020-10-21","18:00:00",""
"1558529","12.865","0.0004","16.2889","0.0005","20.1106","0.0006","111.308","0.001","101.254","0.001","90.736","0.001","3834.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","MFF-4","","","- C144 H150 Cu4 N14 O74 -","- C144 H150 Cu4 N14 O74 -","- C144 H150 Cu4 N14 O74 -","1","0.5","","Leonhardt, Viktoria; Fimmel, Stefanie; Krause, Ana-Maria; Beuerle, Florian","A Covalent Organic Cage Compound Acting as a Supramolecular Shadow Mask for the Regioselective Functionalization of C60","Chemical Science","2020","","","","","10.1039/D0SC03131C","","","1.54178","CuKα","","0.0812","0.0649","","","0.1916","0.2064","","","","","","1.029","","","","has coordinates,has disorder","254095","2020-10-21","18:00:00",""
"1558530","29.1214","0.0007","10.5552","0.0002","17.3216","0.0004","90","","104.072","0.001","90","","5164.6","0.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H34 B F2 N O2 S -","- C27 H34 B F2 N O2 S -","- C216 H272 B8 F16 N8 O16 S8 -","8","1","","Shen, Feng; Lv, Long; Shen, Qilong","Electrophilic Fluoroalkylthiolation Induced Diastereoselective and Stereospecific 1,2-Metalate Migration of Alkenylboronate Complexes","Chemical Science","2020","","","","","10.1039/D0SC03039B","","","0.71073","MoKα","","0.0631","0.046","","","0.1292","0.1459","","","","","","1.03","","","","has coordinates","254096","2020-10-21","18:00:00",""
"1558531","9.726","0.0002","11.7737","0.0003","13.0343","0.0003","90","","90","","90","","1492.57","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C64 H76 N4 O12 S4 -","4","1","","Zhang, Lin; Yamazaki, Ken; Leitch, Jamie A.; Manzano, Ruben; Atkinson, Victoria A. M.; Hamlin, Trevor A.; Dixon, Darren J.","Dual catalytic enantioselective desymmetrization of allene-tethered cyclohexanones","Chemical Science","2020","","","","","10.1039/D0SC02878A","","","1.54184","CuKα","","0.0328","0.0301","","0.0759","0.0728","0.0755","","","","","","0.9981","","","","has coordinates","254097","2020-10-21","18:00:00",""
"1558532","19.855","0.003","5.7928","0.0007","16.427","0.002","90","","105.359","0.013","90","","1821.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O3 S -","- C22 H20 O3 S -","- C88 H80 O12 S4 -","4","1","","Zhang, Xueying; Zhang, Zhansong; Song, Jin-Na; Wang, Zikun","Reductive radical-initiated 1,2-C migration assisted by azidyl group","Chemical Science","2020","","","","","10.1039/D0SC02559C","","","0.71073","MoKα","","0.0872","0.0491","","","0.0978","0.1139","","","","","","1.018","","","","has coordinates","254098","2020-10-21","18:00:00",""
"1558533","9.2575","0.0007","9.6845","0.0007","10.1145","0.0008","79.903","0.006","84.497","0.007","80.659","0.006","878.8","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 O3 S -","- C20 H22 O3 S -","- C40 H44 O6 S2 -","2","1","","Zhang, Xueying; Zhang, Zhansong; Song, Jin-Na; Wang, Zikun","Reductive radical-initiated 1,2-C migration assisted by azidyl group","Chemical Science","2020","","","","","10.1039/D0SC02559C","","","0.71073","MoKα","","0.0731","0.0503","","","0.1134","0.1308","","","","","","1.017","","","","has coordinates","254098","2020-10-21","18:00:00",""
"1558534","18.6658","0.0016","21.9717","0.0019","22.0792","0.0019","71.751","0.002","67.119","0.001","68.721","0.002","7616.1","1.1","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- H76 K8 N Na9 Nd2 O165 Se4 W35 -","- K8 N Na9 Nd2 O165 Se4 W35 -","- K16 N2 Na18 Nd4 O330 Se8 W70 -","2","1","","Li, Hailou; Lian, Chen; Chen, Lijuan; Zhao, Junwei; Yang, Guo-Yu","Two unusual nanosized Nd<sup>3+</sup>-substituted selenotungstate aggregates simultaneously comprising lacunary Keggin and Dawson polyoxotungstate segments.","Nanoscale","2020","12","30","16091","16101","10.1039/d0nr04051g","","","0.71073","MoKα","","0.1135","0.0757","","","0.1845","0.2006","","","","","","1.062","","","","has coordinates","256127","2020-10-21","18:00:00",""
"1558535","19.6262","0.0015","28.53","0.002","30.005","0.002","90.355","0.002","99.225","0.002","94.275","0.001","16535","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C14 H275 N7 Na4 Nd6 O310 Se6 W58 -","- C14 H54 N7 Na4 Nd6 O254 Se6 W58 -","- C28 H108 N14 Na8 Nd12 O508 Se12 W116 -","2","1","","Li, Hailou; Lian, Chen; Chen, Lijuan; Zhao, Junwei; Yang, Guo-Yu","Two unusual nanosized Nd<sup>3+</sup>-substituted selenotungstate aggregates simultaneously comprising lacunary Keggin and Dawson polyoxotungstate segments.","Nanoscale","2020","12","30","16091","16101","10.1039/d0nr04051g","","","0.71073","MoKα","","0.2362","0.1193","","","0.2551","0.2926","","","","","","1.028","","","","has coordinates","256127","2020-10-21","18:00:00",""
"1558536","18.4073","0.0017","13.2209","0.0015","6.2891","0.0006","90","","90","","90","","1530.5","0.3","93","","93","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H16 O2 Te -","- C18 H16 O2 Te -","- C72 H64 O8 Te4 -","4","1","","Nishiyama, Hiroki; Zheng, Feng; Inagi, Shinsuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tomita, Ikuyoshi","Tellurophene-containing π-conjugated polymers with unique heteroatom‒heteroatom interactions by post-element-transformation of an organotitanium polymer","Polymer Chemistry","2020","11","29","4693","4698","10.1039/D0PY00724B","","","0.71075","MoKα","","","0.0472","","","","0.1507","","","","","","1.02","","","","has coordinates","257930","2020-10-21","18:00:00",""
"1558537","9.6046","0.0009","10.539","0.001","19.635","0.002","99.405","0.003","103.196","0.003","102.209","0.004","1843.9","0.3","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Br2 O2 Te -","- C18 H16 Br2 O2 Te -","- C72 H64 Br8 O8 Te4 -","4","2","","Nishiyama, Hiroki; Zheng, Feng; Inagi, Shinsuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tomita, Ikuyoshi","Tellurophene-containing π-conjugated polymers with unique heteroatom‒heteroatom interactions by post-element-transformation of an organotitanium polymer","Polymer Chemistry","2020","11","29","4693","4698","10.1039/D0PY00724B","","","0.71075","MoKα","","","0.1255","","","","0.3573","","","","","","1.887","","","","has coordinates","257930","2020-10-21","18:00:00",""
"1558539","16.136","0.0011","19.7871","0.0013","23.2458","0.0014","76.706","0.003","73.016","0.003","80.103","0.003","6864.3","0.8","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C136 H112 Au8 Fe4 P8 -","- C136 H112 Au8 Fe4 P8 -","- C272 H224 Au16 Fe8 P16 -","2","1","","Li, Shuo Hao; Liu, Xu; Hu, Weigang; Chen, Mingyang; Zhu, Yan","An Au<sub>8</sub> Cluster Fortified by Four Ferrocenes.","The journal of physical chemistry. A","2020","124","29","6061","6067","10.1021/acs.jpca.0c03366","","","1.34139","GaKα","","0.0882","0.0675","","","0.1844","0.2014","","","","","","1.076","","","","has coordinates","254781","2020-10-21","18:00:00",""
"1558540","7.1672","0.0003","13.7037","0.0005","17.9697","0.0008","90","","90","","90","","1764.93","0.13","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H21 Cl2 N Ru -","- C19 H21 Cl2 N Ru -","- C76 H84 Cl8 N4 Ru4 -","4","1","","Chatterjee, Basujit; Kalsi, Deepti; Kaithal, Akash; Bordet, Alexis; Leitner, Walter; Gunanathan, Chidambaram","One-pot dual catalysis for the hydrogenation of heteroarenes and arenes","Catalysis Science & Technology","2020","10","15","5163","5170","10.1039/D0CY00928H","","x-ray","0.71073","MoKα","","0.0273","0.0232","","","0.0463","0.0477","","","","","","1.06","","","","has coordinates","257216","2020-10-21","18:00:00",""
"1558541","10.8627","0.0003","12.5842","0.0004","22.6057","0.0007","90","","97.098","0.003","90","","3066.48","0.16","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H47 Al N2 O -","- C33 H47 Al N2 O -","- C132 H188 Al4 N8 O4 -","4","1","","Hooper, Thomas; Brown, Ryan; Rekhroukh, Feriel; Garçon, Martí; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark Richard","Catalyst Control of Selectivity in the C‒O Bond Alumination of Biomass Derived Furans","Chemical Science","2020","","","","","10.1039/D0SC01918F","","x-ray","0.71073","MoKα","","0.0754","0.0509","","","0.1135","0.1259","","","","","","1.029","","","","has coordinates,has disorder","254136","2020-10-21","18:00:00",""
"1558542","16.5281","0.0006","12.2177","0.0005","15.9821","0.0006","90","","90","","90","","3227.4","0.2","173.05","0.1","173.05","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C35 H49 Al N2 O -","- C35 H49 Al N2 O -","- C140 H196 Al4 N8 O4 -","4","1","","Hooper, Thomas; Brown, Ryan; Rekhroukh, Feriel; Garçon, Martí; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark Richard","Catalyst Control of Selectivity in the C‒O Bond Alumination of Biomass Derived Furans","Chemical Science","2020","","","","","10.1039/D0SC01918F","","x-ray","0.71073","MoKα","","0.0502","0.0416","","","0.1023","0.1074","","","","","","1.032","","","","has coordinates","254136","2020-10-21","18:00:00",""
"1558543","16.1355","0.0005","12.4185","0.0004","15.8598","0.0005","90","","90","","90","","3177.97","0.17","173","0.1","173","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H47 Al N2 O -","- C34 H47 Al N2 O -","- C136 H188 Al4 N8 O4 -","4","1","","Hooper, Thomas; Brown, Ryan; Rekhroukh, Feriel; Garçon, Martí; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark Richard","Catalyst Control of Selectivity in the C‒O Bond Alumination of Biomass Derived Furans","Chemical Science","2020","","","","","10.1039/D0SC01918F","","x-ray","0.71073","MoKα","","0.0549","0.0444","","","0.0989","0.1056","","","","","","1.029","","","","has coordinates","254136","2020-10-21","18:00:00",""
"1558544","10.9108","0.0002","12.4443","0.0002","22.7523","0.0004","90","","99.2427","0.0019","90","","3049.14","0.09","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 Al N2 O -","- C33 H45 Al N2 O -","- C132 H180 Al4 N8 O4 -","4","1","","Hooper, Thomas; Brown, Ryan; Rekhroukh, Feriel; Garçon, Martí; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark Richard","Catalyst Control of Selectivity in the C‒O Bond Alumination of Biomass Derived Furans","Chemical Science","2020","","","","","10.1039/D0SC01918F","","x-ray","1.54184","CuKα","","0.0652","0.045","","","0.1078","0.1216","","","","","","1.017","","","","has coordinates","254136","2020-10-21","18:00:00",""
"1558545","13.6025","0.0008","17.2522","0.001","17.7358","0.0009","108.504","0.005","93.588","0.005","112.988","0.006","3549.6","0.4","173","0.14","173","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C75 H110 Al2 N4 O4 -","- C75 H110 Al2 N4 O4 -","- C150 H220 Al4 N8 O8 -","2","1","","Hooper, Thomas; Brown, Ryan; Rekhroukh, Feriel; Garçon, Martí; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark Richard","Catalyst Control of Selectivity in the C‒O Bond Alumination of Biomass Derived Furans","Chemical Science","2020","","","","","10.1039/D0SC01918F","","x-ray","0.71073","MoKα","","0.1127","0.0705","","","0.1668","0.1886","","","","","","1.046","","","","has coordinates,has disorder","254136","2020-10-21","18:00:00",""
"1558546","14.319","0.0004","9.8459","0.0003","23.113","0.0007","90","","98.845","0.003","90","","3219.8","0.17","173","0.14","173","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H49 Al N2 O -","- C34 H49 Al N2 O -","- C136 H196 Al4 N8 O4 -","4","1","","Hooper, Thomas; Brown, Ryan; Rekhroukh, Feriel; Garçon, Martí; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark Richard","Catalyst Control of Selectivity in the C‒O Bond Alumination of Biomass Derived Furans","Chemical Science","2020","","","","","10.1039/D0SC01918F","","x-ray","0.71073","MoKα","","0.069","0.0466","","","0.1065","0.1186","","","","","","1.018","","","","has coordinates","254136","2020-10-21","18:00:00",""
"1558547","18.62","0.004","8.9532","0.0003","32.557","0.007","90","","144.73","0.05","90","","3134","4","173","0.14","173","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H47 Al N2 O -","- C34 H47 Al N2 O -","- C136 H188 Al4 N8 O4 -","4","1","","Hooper, Thomas; Brown, Ryan; Rekhroukh, Feriel; Garçon, Martí; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark Richard","Catalyst Control of Selectivity in the C‒O Bond Alumination of Biomass Derived Furans","Chemical Science","2020","","","","","10.1039/D0SC01918F","","x-ray","1.54184","CuKα","","0.0866","0.0494","","","0.1068","0.1196","","","","","","0.967","","","","has coordinates,has disorder","254136","2020-10-21","18:00:00",""
"1558552","8.9401","0.0001","10.3433","0.0001","9.3915","0.0001","90","","103.451","0.001","90","","844.611","0.016","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","","Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir; Cundari, Thomas R.; Wang, Hong","Formal Oxo- and Aza-[3+2] Reactions of α-Enaminones and Quinones: A Double Divergent Process and the Roles of Chiral Phosphoric Acid and Molecular Sieves","Chemical Science","2020","","","","","10.1039/D0SC02078H","","x-ray","1.54184","CuKα","","0.0257","0.0257","","","0.0666","0.0666","","","","","","1.068","","","","has coordinates","254162","2020-10-21","18:00:00",""
"1558553","7.17307","0.00003","9.46902","0.00005","36.9162","0.0002","90","","90","","90","","2507.42","0.02","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O6 -","- C14 H14 O6 -","- C112 H112 O48 -","8","2","","Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir; Cundari, Thomas R.; Wang, Hong","Formal Oxo- and Aza-[3+2] Reactions of α-Enaminones and Quinones: A Double Divergent Process and the Roles of Chiral Phosphoric Acid and Molecular Sieves","Chemical Science","2020","","","","","10.1039/D0SC02078H","","x-ray","1.54184","CuKα","","0.0314","0.0311","","","0.0804","0.0806","","","","","","1.058","","","","has coordinates,has disorder","254162","2020-10-21","18:00:00",""
"1558554","12.273","0.0001","13.8593","0.0001","19.0331","0.0002","90","","103.984","0.001","90","","3141.49","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C160 H136 N8 O32 -","8","2","","Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir; Cundari, Thomas R.; Wang, Hong","Formal Oxo- and Aza-[3+2] Reactions of α-Enaminones and Quinones: A Double Divergent Process and the Roles of Chiral Phosphoric Acid and Molecular Sieves","Chemical Science","2020","","","","","10.1039/D0SC02078H","","x-ray","1.54184","CuKα","","0.042","0.0392","","","0.104","0.1063","","","","","","1.045","","","","has coordinates","254162","2020-10-21","18:00:00",""
"1558555","17.815","0.0012","18.8153","0.0013","19.2663","0.0013","90","","90","","90","","6458","0.8","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H86 O16 S2 Si2 -","- C58 H86 O16 S2 Si2 -","- C232 H344 O64 S8 Si8 -","4","1","","Rose, John A.; Mahapatra, Subham; Li, Xin; Wang, Chao; Chen, Lei; Swick, Steven M.; Herzon, Seth B.","Synthesis of the bis(cyclohexenone) core of (−)-lomaiviticin A","Chemical Science","2020","","","","","10.1039/D0SC02770G","","","1.54178","CuKα","","0.0823","0.0711","","","0.2108","0.2205","","","","","","1.086","","","","has coordinates","254163","2020-10-21","18:00:00",""
"1558556","6.3096","0.0006","29.084","0.002","7.5539","0.0008","90","","91.45","0.009","90","","1385.8","0.2","133.15","","133.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N6 O3 -","- C15 H14 N6 O3 -","- C60 H56 N24 O12 -","4","1","","Ismail, Ismail; Chen, Zhuoyue; Sun, Lu; Ji, Xiuru; Ye, Haishun; Kang, Xueying; Huang, Haojie; Song, Haibin; Bolton, Sarah G.; Xi, Zhen; Pluth, Michael D.; Yi, Long","Highly efficient H2S scavengers via thiolysis of positively-charged NBD amines","Chemical Science","2020","11","30","7823","7828","10.1039/D0SC01518K","","x-ray","0.71073","MoKα","","0.0816","0.0615","","","0.1544","0.1686","","","","","","1.13","","","","has coordinates","257375","2020-10-21","18:00:00",""
"1558557","19.9828","0.0007","12.5986","0.0005","14.2705","0.0005","90","","101.853","0.003","90","","3516.1","0.2","133.15","","133.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 I N6 O3 -","- C16 H17 I N6 O3 -","- C128 H136 I8 N48 O24 -","8","2","","Ismail, Ismail; Chen, Zhuoyue; Sun, Lu; Ji, Xiuru; Ye, Haishun; Kang, Xueying; Huang, Haojie; Song, Haibin; Bolton, Sarah G.; Xi, Zhen; Pluth, Michael D.; Yi, Long","Highly efficient H2S scavengers via thiolysis of positively-charged NBD amines","Chemical Science","2020","11","30","7823","7828","10.1039/D0SC01518K","","","0.71073","MoKα","","0.1083","0.1022","","","0.2203","0.2243","","","","","","1.198","","","","has coordinates","257375","2020-10-21","18:00:00",""
"1558560","14.4078","0.0004","24.1255","0.0007","14.433","0.0004","90","","99.165","0.003","90","","4952.8","0.2","199.95","0.1","199.95","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C111 H119.5 Au2 N5 O -","- C111 H119.5 Au2 N5 O -","- C222 H239 Au4 N10 O2 -","2","0.5","","Ibáñez, Susana; Poyatos, Macarena; Peris, Eduardo","N-Heterocyclic Carbenes: A Door Open to Supramolecular Organometallic Chemistry.","Accounts of chemical research","2020","","","","","10.1021/acs.accounts.0c00312","","x-ray","0.71073","MoKα","","0.056","0.0486","","","0.1058","0.1092","","","","","","1.227","","","","has coordinates,has disorder","254185","2020-10-21","18:00:00",""
"1558561","34.176","0.007","6.3699","0.0013","26.382","0.005","90","","123.428","0.006","90","","4793.2","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[5,10,15,20-Tetrakis(pentafluorophenyl)porphyrinato]zinc(II) benzene disolvate","","- C56 H20 F20 N4 Zn -","- C56 H20 F20 N4 Zn -","- C224 H80 F80 N16 Zn4 -","4","0.5","","Lin, Zeyuan; Li, Jianfeng","[5,10,15,20-Tetrakis(pentafluorophenyl)porphyrinato]zinc(II) benzene disolvate","IUCrData","2020","5","7","x200877","","10.1107/S2414314620008779","","","0.71073","MoKα","","0.0454","0.0342","","","0.1095","0.1192","","","","","","0.906","","","","has coordinates,has disorder,has Fobs","254207","2020-10-21","18:00:00",""
"1558562","9.74134","0.00005","9.83313","0.00004","14.91737","0.00006","90","","98.2662","0.0004","90","","1414.06","0.011","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>S</i>)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid","","- C16 H14 F N O3 -","- C16 H14 F N O3 -","- C64 H56 F4 N4 O12 -","4","2","WM4133","Lee, Kathleen S.; Turner, Luke; Powell, Cynthia B.; Reinheimer, Eric W.","(<i>S</i>)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid","IUCrData","2020","5","7","x200897","","10.1107/S2414314620008974","","x-ray","1.54184","CuKα","","0.0282","0.0279","","","0.0785","0.079","","","","","","1.054","","","","has coordinates,has disorder","254208","2020-10-21","18:00:00",""
"1558563","8.996","0.0018","15.921","0.003","18.297","0.004","90","","102.59","0.03","90","","2557.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl 3,3'-[(3-fluorophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate)","","- C29 H25 F N2 O4 -","- C29 H25 F N2 O4 -","- C116 H100 F4 N8 O16 -","4","1","HB4349","Jiang, Hong; Li, Yu-Long; Zhou, Jin; Sun, Hong-Shun; Zhang, Qing-Yu; Shi, Xing-Hao; Zhang, Zhi-Yuan; Ling, Tian","Diethyl 3,3'-[(3-fluorophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate)","IUCrData","2020","5","7","x200912","","10.1107/S2414314620009128","","","0.71073","MoKα","","0.3412","0.1426","","","0.2527","0.3063","","","","","","1.296","","","","has coordinates,has Fobs","254209","2020-10-21","18:00:00",""
"1558564","5.7173","0.0017","7.346","0.003","12.436","0.004","90","","93.07","0.03","90","","521.6","0.3","295","2","295.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","7a-Phenyltetrahydropyrrolo[2,1-<i>b</i>]oxazol-5(6<i>H</i>)-one","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C24 H26 N2 O4 -","2","1","HB4353","Linkova, Elena I.; Grinev, Vyacheslav S.; Mayorova, Oksana A.; Yegorova, Alevtina Yu.","7a-Phenyltetrahydropyrrolo[2,1-<i>b</i>]oxazol-5(6<i>H</i>)-one","IUCrData","2020","5","7","x200919","","10.1107/S2414314620009190","","x-ray","0.71073","MoKα","","0.0937","0.054","","","0.123","0.1596","","","","","","1.061","","","","has coordinates,has Fobs","254210","2020-10-21","18:00:00",""
"1558565","7.2994","0.0002","9.6105","0.0003","23.9296","0.0008","90","","90","","90","","1678.68","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2-Hydroxyphenyl)(4,2':4',4''-terpyridin-6'-yl)methanone","","- C22 H15 N3 O2 -","- C22 H15 N3 O2 -","- C88 H60 N12 O8 -","4","1","ZQ4040","Devika, S.; Begum, Noor Shahina; Manjappa, Kiran B.; Yang, Ding-Yah","(2-Hydroxyphenyl)(4,2':4',4''-terpyridin-6'-yl)methanone","IUCrData","2020","5","7","x200857","","10.1107/S2414314620008573","","","0.71073","MoKα","","0.0481","0.0377","","","0.0823","0.0876","","","","","","1.103","","","","has coordinates,has Fobs","254211","2020-10-21","18:00:00",""
"1558566","14.1567","0.0017","6.2892","0.0007","37.652","0.005","90","","95.26","0.004","90","","3338.2","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H59 Br4 Cl9 O13 -","- C60 H59 Br4 Cl9 O13 -","- C120 H118 Br8 Cl18 O26 -","2","1","","Pederson, Petra J.; Cai, Shengxin; Carver, Chase; Powell, Douglas R.; Risinger, April L.; Grkovic, Tanja; O'Keefe, Barry R; Mooberry, Susan L.; Cichewicz, Robert H.","Triple-Negative Breast Cancer Cells Exhibit Differential Sensitivity to Cardenolides from <i>Calotropis gigantea</i>.","Journal of natural products","2020","83","7","2269","2280","10.1021/acs.jnatprod.0c00423","","","0.71073","MoKα","","0.06","0.0435","","","0.1006","0.1113","","","","","","1.009","","","","has coordinates","254778","2020-10-21","18:00:00",""
"1558567","12.537","0.0005","12.7632","0.0006","18.2961","0.0007","90","","90","","90","","2927.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H41 N O8 S -","- C31 H41 N O8 S -","- C124 H164 N4 O32 S4 -","4","1","","Pederson, Petra J.; Cai, Shengxin; Carver, Chase; Powell, Douglas R.; Risinger, April L.; Grkovic, Tanja; O'Keefe, Barry R; Mooberry, Susan L.; Cichewicz, Robert H.","Triple-Negative Breast Cancer Cells Exhibit Differential Sensitivity to Cardenolides from <i>Calotropis gigantea</i>.","Journal of natural products","2020","83","7","2269","2280","10.1021/acs.jnatprod.0c00423","","","0.71073","MoKα","","0.0614","0.047","","","0.1211","0.1345","","","","","","1.005","","","","has coordinates","254778","2020-10-21","18:00:00",""
"1558568","14.5716","0.0003","30.3441","0.0007","12.135","0.0003","90","","90","","90","","5365.6","0.2","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C29 H40 O10 -","- C29 H40 O10 -","- C232 H320 O80 -","8","2","","Pederson, Petra J.; Cai, Shengxin; Carver, Chase; Powell, Douglas R.; Risinger, April L.; Grkovic, Tanja; O'Keefe, Barry R; Mooberry, Susan L.; Cichewicz, Robert H.","Triple-Negative Breast Cancer Cells Exhibit Differential Sensitivity to Cardenolides from <i>Calotropis gigantea</i>.","Journal of natural products","2020","83","7","2269","2280","10.1021/acs.jnatprod.0c00423","","","0.71073","MoKα","","0.0448","0.0398","","","0.0998","0.1041","","","","","","0.958","","","","has coordinates,has disorder","254778","2020-10-21","18:00:00",""
"1558569","6.3191","0.0002","11.9806","0.0004","12.9208","0.0005","90","","100.742","0.0013","90","","961.05","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C46 H68 O8 -","2","1","","Pederson, Petra J.; Cai, Shengxin; Carver, Chase; Powell, Douglas R.; Risinger, April L.; Grkovic, Tanja; O'Keefe, Barry R; Mooberry, Susan L.; Cichewicz, Robert H.","Triple-Negative Breast Cancer Cells Exhibit Differential Sensitivity to Cardenolides from <i>Calotropis gigantea</i>.","Journal of natural products","2020","83","7","2269","2280","10.1021/acs.jnatprod.0c00423","","","0.71073","MoKα","","0.0304","0.0295","","","0.0828","0.0838","","","","","","1.005","","","","has coordinates","254778","2020-10-21","18:00:00",""
"1558570","7.6298","0.0004","7.8915","0.0004","16.7699","0.0009","90","","94.598","0.002","90","","1006.48","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H36 O6 -","- C23 H36 O6 -","- C46 H72 O12 -","2","1","","Pederson, Petra J.; Cai, Shengxin; Carver, Chase; Powell, Douglas R.; Risinger, April L.; Grkovic, Tanja; O'Keefe, Barry R; Mooberry, Susan L.; Cichewicz, Robert H.","Triple-Negative Breast Cancer Cells Exhibit Differential Sensitivity to Cardenolides from <i>Calotropis gigantea</i>.","Journal of natural products","2020","83","7","2269","2280","10.1021/acs.jnatprod.0c00423","","","0.71073","MoKα","","0.0357","0.0322","","","0.077","0.0797","","","","","","1.001","","","","has coordinates","254778","2020-10-21","18:00:00",""
"1558571","6.469","0.0003","11.9665","0.0007","33.9275","0.0017","90","","90","","90","","2626.4","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O9 -","- C29 H44 O9 -","- C116 H176 O36 -","4","1","","Pederson, Petra J.; Cai, Shengxin; Carver, Chase; Powell, Douglas R.; Risinger, April L.; Grkovic, Tanja; O'Keefe, Barry R; Mooberry, Susan L.; Cichewicz, Robert H.","Triple-Negative Breast Cancer Cells Exhibit Differential Sensitivity to Cardenolides from <i>Calotropis gigantea</i>.","Journal of natural products","2020","83","7","2269","2280","10.1021/acs.jnatprod.0c00423","","","0.71073","MoKα","","0.1015","0.0571","","","0.1152","0.1394","","","","","","1.005","","","","has coordinates","254778","2020-10-21","18:00:00",""
"1558578","7.57","0.0001","10.8882","0.0002","45.5723","0.001","90","","90","","90","","3756.24","0.12","296","2","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C160 H240 O32 -","8","2","","Mao, Xu-Dong; Zhang, Cheng-Gang; Chen, Ting; Zhao, Sen-Miao; Chou, Gui-Xin","Cytotoxic Diterpenoids from <i>Caryopteris aureoglandulosa</i>.","Journal of natural products","2020","83","7","2093","2101","10.1021/acs.jnatprod.9b01052","","","1.34139","GaKα","","0.1108","0.0575","","","0.1318","0.1607","","","","","","1.001","","","","has coordinates","254776","2020-10-21","18:00:00",""
"1558579","11.7598","0.0012","6.7923","0.0005","19.84","0.002","90","","94.713","0.008","90","","1579.4","0.3","297","","297","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H14 O6.5 -","- C19 H14 O6.5 -","- C76 H56 O26 -","4","2","","Mao, Xu-Dong; Zhang, Cheng-Gang; Chen, Ting; Zhao, Sen-Miao; Chou, Gui-Xin","Cytotoxic Diterpenoids from <i>Caryopteris aureoglandulosa</i>.","Journal of natural products","2020","83","7","2093","2101","10.1021/acs.jnatprod.9b01052","","","1.54178","CuKα","","0.1371","0.0816","","","0.2089","0.245","","","","","","1.029","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1558580","18.522","0.0003","13.0651","0.0002","7.0412","0.0001","90","","103.76","0.001","90","","1655.01","0.04","296","","296","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","1","","Mao, Xu-Dong; Zhang, Cheng-Gang; Chen, Ting; Zhao, Sen-Miao; Chou, Gui-Xin","Cytotoxic Diterpenoids from <i>Caryopteris aureoglandulosa</i>.","Journal of natural products","2020","83","7","2093","2101","10.1021/acs.jnatprod.9b01052","","","1.34139","GaKα","","0.0438","0.0376","","","0.0933","0.0988","","","","","","1.06","","","","has coordinates","254776","2020-10-21","18:00:00",""
"1558581","8.4122","0.0005","20.175","0.0011","26.6799","0.0016","90","","90","","90","","4528","0.5","277","2","277","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 O7 -","- C19 H14 O7 -","- C228 H168 O84 -","12","3","","Mao, Xu-Dong; Zhang, Cheng-Gang; Chen, Ting; Zhao, Sen-Miao; Chou, Gui-Xin","Cytotoxic Diterpenoids from <i>Caryopteris aureoglandulosa</i>.","Journal of natural products","2020","83","7","2093","2101","10.1021/acs.jnatprod.9b01052","","","1.54178","CuKα","","0.06","0.0498","","","0.1489","0.1775","","","","","","1.067","","","","has coordinates","254776","2020-10-21","18:00:00",""
"1558582","14.345","0.002","8.3232","0.0013","8.8793","0.0014","90","","120.694","0.002","90","","911.6","0.2","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H11 Mn N O6 -","- C5 H11 Mn N O6 -","- C20 H44 Mn4 N4 O24 -","4","1","","Liu, Chao; Zhai, Kun; Yu, Zhipeng; Nie, Anmin; Liu, Zhongyuan; Sun, Young","Hydrogen Bond Tuning of Magnetoelectric Coupling in Metal‒Organic Frameworks","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c03916","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","254254","2020-10-21","18:00:00",""
"1558583","8.3371","0.0008","8.3371","0.0008","22.909","0.005","90","","90","","120","","1379","0.4","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H3 Mn N0.99 O6 -","- C30 H18 Mn6 N5.94 O36 -","6","0.166667","","Liu, Chao; Zhai, Kun; Yu, Zhipeng; Nie, Anmin; Liu, Zhongyuan; Sun, Young","Hydrogen Bond Tuning of Magnetoelectric Coupling in Metal‒Organic Frameworks","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c03916","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","254254","2020-10-21","18:00:00",""
"1558584","9.423","0.002","40.326","0.008","10.692","0.002","90","0.03","107.3","0.03","90","0.03","3879.1","1.5","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H30 F6 O6 -","- C48 H30 F6 O6 -","- C192 H120 F24 O24 -","4","1","","Miyazaki, Takuya; Shoji, Yoshiaki; Ishiwari, Fumitaka; Kajitani, Takashi; Fukushima, Takanori","Design of a molecular memory element with an alternating circular array of dipolar rotors and rotation suppressors","Chemical Science","2020","","","","","10.1039/D0SC02836C","","","0.71073","MoKα","","0.1243","0.0522","","","0.0992","0.1219","","","","","","0.973","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1558585","11.3765","0.0016","13.951","0.002","14.046","0.002","69.423","0.002","70.729","0.002","86.627","0.002","1966","0.5","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H30 F6 O6 -","- C48 H30 F6 O6 -","- C96 H60 F12 O12 -","2","1","","Miyazaki, Takuya; Shoji, Yoshiaki; Ishiwari, Fumitaka; Kajitani, Takashi; Fukushima, Takanori","Design of a molecular memory element with an alternating circular array of dipolar rotors and rotation suppressors","Chemical Science","2020","","","","","10.1039/D0SC02836C","","","0.71073","MoKα","","0.0633","0.0558","","","0.1426","0.1467","","","","","","1.088","","","","has coordinates,has disorder","254260","2020-10-21","18:00:00",""
"1558586","16.087","0.003","25.358","0.005","21.354","0.004","90","0.03","90","0.03","90","0.03","8711","3","150","2","149.98","","","","","","","","","4","P n m a","-P 2ac 2n","62","","tubular[4,8]arene","","- C53 H41.5 N4.5 O4 -","- C53 H41.5 N4.5 O4 -","- C424 H332 N36 O32 -","8","1","","Mirzaei, Saber; Castro, Edison; Hernández Sánchez, Raúl","Tubularenes","Chemical Science","2020","","","","","10.1039/D0SC03384G","","","1.54184","CuKα","","0.1829","0.0786","","","0.1911","0.2527","","","","","","0.957","","","","has coordinates,has disorder","254294","2020-10-21","18:00:00",""
"1558587","16.1738","0.0014","11.4534","0.0009","27.691","0.002","90","","96.754","0.002","90","","5094","0.7","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H62 Al2 O6 -","- C46 H62 Al2 O6 -","- C184 H248 Al8 O24 -","4","0.5","","Wang, Zhe; Zhang, Xianhui; Liang, Hongwen; Xian, Mo; Wang, Xiaowu","Binuclear aluminum Lewis acid and its behavior in the polymerization of methyl methacrylate and n-butyl acrylate","Polymer Chemistry","2020","11","34","5526","5533","10.1039/D0PY00572J","","","0.71073","MoKα","","0.1187","0.0729","","","0.2024","0.2252","","","","","","1.034","","","","has coordinates","257952","2020-10-21","18:00:00",""
"1558588","13.4072","0.0006","7.2619","0.0003","14.8167","0.0006","90","","101.307","0.003","90","","1414.58","0.1","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H40 O11 -","- C30 H40 O11 -","- C60 H80 O22 -","2","1","","Bedane, Kibrom Gebreheiwot; Brieger, Lukas; Strohmann, Carsten; Seo, Ean-Jeong; Efferth, Thomas; Spiteller, Michael","Cytotoxic Bufadienolides from the Leaves of <i>Melianthus major</i>.","Journal of natural products","2020","83","7","2122","2128","10.1021/acs.jnatprod.0c00060","","x-ray","1.54178","CuKα","","0.0248","0.0248","","","0.0627","0.0628","","","","","","1.053","","","","has coordinates","254777","2020-10-21","18:00:00",""
"1558589","10.146","0.0008","10.4082","0.0009","10.8554","0.0009","90","","110.004","0.002","90","","1077.19","0.16","100","","99.91","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H30 O7 -","- C26 H30 O7 -","- C52 H60 O14 -","2","1","","Bedane, Kibrom Gebreheiwot; Brieger, Lukas; Strohmann, Carsten; Seo, Ean-Jeong; Efferth, Thomas; Spiteller, Michael","Cytotoxic Bufadienolides from the Leaves of <i>Melianthus major</i>.","Journal of natural products","2020","83","7","2122","2128","10.1021/acs.jnatprod.0c00060","","x-ray","1.54178","CuKα","","0.0293","0.0292","","","0.0794","0.0795","","","","","","1.029","","","","has coordinates","254777","2020-10-21","18:00:00",""
"1558590","15.7031","0.0006","15.8728","0.0006","27.7808","0.001","83.548","0.001","76.381","0.001","62.29","0.001","5957.9","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C109 H114 F12 N10 O33 Rh4 S4 -","- C104 H96 F9 N8 O27 Rh4 S3 -","- C208 H192 F18 N16 O54 Rh8 S6 -","2","1","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","Selective synthesis and structural transformation between a molecular ring-in-ring architecture and an abnormal trefoil knot","Chemical Science","2020","","","","","10.1039/D0SC02733B","","","1.34138","GaKα","","0.0957","0.0751","","","0.1934","0.2087","","","","","","1","","","","has coordinates,has disorder","254327","2020-10-21","18:00:00",""
"1558591","29.994","0.002","14.8641","0.0008","33.736","0.002","90","","103.709","0.002","90","","14612.2","1.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C131 H146 F12 N16 O34 Rh4 S4 -","- C128 H112 F12 N16 O23 Rh4 S4 -","- C512 H448 F48 N64 O92 Rh16 S16 -","4","1","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","Selective synthesis and structural transformation between a molecular ring-in-ring architecture and an abnormal trefoil knot","Chemical Science","2020","","","","","10.1039/D0SC02733B","","","1.34138","GaKα","","0.0955","0.0635","","","0.1654","0.1886","","","","","","1.038","","","","has coordinates,has disorder","254327","2020-10-21","18:00:00",""
"1558592","21.4001","0.0008","56.956","0.002","13.5367","0.0004","90","","90","","90","","16499.4","1","173","2","172.98","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C154 H182 F12 Ir4 N24 O33 S4 -","- C132 H126 F6 Ir4 N18 O17 S2 -","- C528 H504 F24 Ir16 N72 O68 S8 -","4","0.5","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","Selective synthesis and structural transformation between a molecular ring-in-ring architecture and an abnormal trefoil knot","Chemical Science","2020","","","","","10.1039/D0SC02733B","","","1.34138","GaKα","","0.0613","0.0528","","","0.1523","0.1604","","","","","","1.075","","","","has coordinates","254327","2020-10-21","18:00:00",""
"1558593","14.7048","0.0006","20.1231","0.0009","28.5603","0.0012","105.589","0.002","95.648","0.002","100.981","0.002","7890.6","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C156 H163 F12 N16 O34 Rh4 S4 -","- C151 H127 F9 N16 O17 Rh4 S3 -","- C302 H254 F18 N32 O34 Rh8 S6 -","2","1","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","Selective synthesis and structural transformation between a molecular ring-in-ring architecture and an abnormal trefoil knot","Chemical Science","2020","","","","","10.1039/D0SC02733B","","","1.34138","GaKα","","0.096","0.0668","","","0.182","0.2032","","","","","","1.035","","","","has coordinates,has disorder","254327","2020-10-21","18:00:00",""
"1558594","30.1831","0.0013","15.0508","0.0008","33.4363","0.0015","90","","103.152","0.002","90","","14791","1.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C160 H184 F12 Ir4 N20 O26 S4 -","- C125 H112 F3 Ir4 N16 O11 S -","- C500 H448 F12 Ir16 N64 O44 S4 -","4","1","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","Selective synthesis and structural transformation between a molecular ring-in-ring architecture and an abnormal trefoil knot","Chemical Science","2020","","","","","10.1039/D0SC02733B","","","1.34138","GaKα","","0.0911","0.0706","","","0.21","0.2278","","","","","","1.035","","","","has coordinates,has disorder","254327","2020-10-21","18:00:00",""
"1558595","36.05","0.002","39.906","0.002","43.383","0.002","90","","108.546","0.002","90","","59170","5","173","2","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C286 H393 Ag2 F18 N31 O58 Rh6 S6 -","- C227.5 H225.5 Ag2 F12 N28.5 O25.5 Rh6 S4 -","- C1820 H1804 Ag16 F96 N228 O204 Rh48 S32 -","8","2","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","Selective synthesis and structural transformation between a molecular ring-in-ring architecture and an abnormal trefoil knot","Chemical Science","2020","","","","","10.1039/D0SC02733B","","","1.34138","GaKα","","0.1087","0.0987","","","0.2614","0.2672","","","","","","1.051","","","","has coordinates,has disorder","254327","2020-10-21","18:00:00",""
"1558605","9.8861","0.0008","7.5065","0.0008","12.9438","0.001","90","","94.152","0.007","90","","958.04","0.15","119.99","0.1","119.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cr N2 O4 -","- C20 H24 Cr N2 O4 -","- C40 H48 Cr2 N4 O8 -","2","0.5","","Vinum, Morten Gotthold; Voigt, Laura; Hansen, Steen H.; Bell, Colby; Clark, Kensha Marie; Larsen, René Wugt; Pedersen, Kasper S.","Ligand field-actuated redox-activity of acetylacetonate","Chemical Science","2020","11","31","8267","8272","10.1039/D0SC01836H","","x-ray","0.71073","MoKα","","0.0874","0.0536","","","0.0907","0.1092","","","","","","1.049","","","","has coordinates","257376","2020-10-21","18:00:00",""
"1558606","10.2476","0.0013","4.7011","0.0006","11.3501","0.0015","90","","92.163","0.012","90","","546.4","0.12","120","0.1","120","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cr O4 -","- C10 H14 Cr O4 -","- C20 H28 Cr2 O8 -","2","0.5","","Vinum, Morten Gotthold; Voigt, Laura; Hansen, Steen H.; Bell, Colby; Clark, Kensha Marie; Larsen, René Wugt; Pedersen, Kasper S.","Ligand field-actuated redox-activity of acetylacetonate","Chemical Science","2020","11","31","8267","8272","10.1039/D0SC01836H","","x-ray","0.71073","MoKα","","0.1098","0.0615","","","0.0948","0.112","","","","","","1.073","","","","has coordinates","257376","2020-10-21","18:00:00",""
"1558607","7.9894","0.0007","8.5405","0.0008","9.4779","0.0009","103.054","0.008","101.71","0.008","92.188","0.007","614.49","0.1","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Cr N4 O4 -","- C24 H34 Cr N4 O4 -","- C24 H34 Cr N4 O4 -","1","0.5","","Vinum, Morten Gotthold; Voigt, Laura; Hansen, Steen H.; Bell, Colby; Clark, Kensha Marie; Larsen, René Wugt; Pedersen, Kasper S.","Ligand field-actuated redox-activity of acetylacetonate","Chemical Science","2020","11","31","8267","8272","10.1039/D0SC01836H","","x-ray","0.71073","MoKα","","0.0983","0.06","","","0.105","0.1252","","","","","","1.091","","","","has coordinates","257376","2020-10-21","18:00:00",""
"1558608","9.9399","0.001","9.5252","0.0009","12.143","0.001","90","","94.29","0.008","90","","1146.47","0.18","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cr F6 N2 O4 -","- C22 H22 Cr F6 N2 O4 -","- C44 H44 Cr2 F12 N4 O8 -","2","0.5","","Vinum, Morten Gotthold; Voigt, Laura; Hansen, Steen H.; Bell, Colby; Clark, Kensha Marie; Larsen, René Wugt; Pedersen, Kasper S.","Ligand field-actuated redox-activity of acetylacetonate","Chemical Science","2020","11","31","8267","8272","10.1039/D0SC01836H","","x-ray","0.71073","MoKα","","0.0943","0.0631","","","0.1257","0.1433","","","","","","1.046","","","","has coordinates","257376","2020-10-21","18:00:00",""
"1558609","17.0458","0.0016","16.5877","0.0016","19.5942","0.0017","90","","112.851","0.003","90","","5105.5","0.8","173","","173.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H83 La N2 O4 Si2 -","- C49 H83 La N2 O4 Si2 -","- C196 H332 La4 N8 O16 Si8 -","4","1","","Dong, Xiang; Robinson, Jerome","The Role of Neutral Donor Ligands in the Isoselective Ring-Opening Polymerization of rac-β-Butyrolactone","Chemical Science","2020","","","","","10.1039/D0SC03507F","","","0.71073","MoKα","","0.0847","0.0527","","","0.0906","0.1021","","","","","","1.022","","","","has coordinates","254368","2020-10-21","18:00:00",""
"1558610","15.355","0.002","15.378","0.002","35.734","0.005","90","","94.563","0.005","90","","8411.1","1.9","173.21","","173.21","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C91 H111 La N2 O4 P2 Si2 -","- C77 H95 La N2 O4 P2 Si2 -","- C308 H380 La4 N8 O16 P8 Si8 -","4","1","","Dong, Xiang; Robinson, Jerome","The Role of Neutral Donor Ligands in the Isoselective Ring-Opening Polymerization of rac-β-Butyrolactone","Chemical Science","2020","","","","","10.1039/D0SC03507F","","","0.71073","MoKα","","0.0659","0.0528","","","0.1315","0.1399","","","","","","1.046","","","","has coordinates,has disorder","254368","2020-10-21","18:00:00",""
"1558611","15.221","0.0016","15.3725","0.0015","35.552","0.004","90","","93.759","0.003","90","","8300.7","1.5","173.19","","173.19","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C91 H111 N2 O4 P2 Si2 Y -","- C77 H95 N2 O4 P2 Si2 Y -","- C308 H380 N8 O16 P8 Si8 Y4 -","4","1","","Dong, Xiang; Robinson, Jerome","The Role of Neutral Donor Ligands in the Isoselective Ring-Opening Polymerization of rac-β-Butyrolactone","Chemical Science","2020","","","","","10.1039/D0SC03507F","","","0.71073","MoKα","","0.0615","0.0477","","","0.1238","0.1332","","","","","","1.018","","","","has coordinates,has disorder","254368","2020-10-21","18:00:00",""
"1558612","9.04","0.009","16.15","0.008","14.32","0.006","90","","101.67","0.006","90","","2047","2","301","2","301","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C23 H21 Cl O7 -","- C23 H21 Cl O7 -","- C92 H84 Cl4 O28 -","4","0.5","","Chakraborty , Sandip; Joseph, Manu M.; Varughese, Sunil; Ghosh, Samrat; Maiti, Kaustabh; Samanta, Animesh; Ajayaghosh, Ayyappanpillai","A new pentacyclic pyrylium fluorescent probe that responds to pH imbalance during apoptosis","Chemical Science","2020","","","","","10.1039/D0SC02623A","","","0.71073","MoKα","","0.1771","0.1275","","","0.2138","0.2347","","","","","","1.328","","","","has coordinates","254369","2020-10-21","18:00:00",""
"1558613","6.29482","0.00014","13.8975","0.0003","11.1692","0.0002","90","","90.663","0.002","90","","977.04","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C44 H44 N4 O16 -","4","1","","Birchall, Lee T.; Shehata, Sara; McCarthy, Sean; Shepherd, Helena J.; Clark, Ewan R.; Serpell, Christopher J.; Biagini, Stefano C. G.","Supramolecular behaviour and fluorescence of rhodamine-functionalised ROMP polymers","Polymer Chemistry","2020","11","32","5279","5285","10.1039/D0PY00799D","","x-ray","1.54184","CuKα","","0.0447","0.042","","","0.111","0.1134","","","","","","1.072","","","","has coordinates","257934","2020-10-21","18:00:00",""
"1558614","10.4936","0.0003","12.3484","0.0003","16.1383","0.0004","99.335","0.002","102.497","0.002","112.561","0.002","1814.32","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H42 N4 O5 -","- C41 H46 N4 O5 -","- C82 H92 N8 O10 -","2","1","","Birchall, Lee T.; Shehata, Sara; McCarthy, Sean; Shepherd, Helena J.; Clark, Ewan R.; Serpell, Christopher J.; Biagini, Stefano C. G.","Supramolecular behaviour and fluorescence of rhodamine-functionalised ROMP polymers","Polymer Chemistry","2020","11","32","5279","5285","10.1039/D0PY00799D","","","1.54184","CuKα","","0.0594","0.0512","","","0.147","0.1571","","","","","","1.031","","","","has coordinates,has disorder","257934","2020-10-21","18:00:00",""
"1558615","15.72214","0.00017","19.9433","0.0002","20.9335","0.0003","90","","90","","90","","6563.73","0.13","150","0.3","150","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C39 H42 N4 O4 -","- C39 H42 N4 O4 -","- C312 H336 N32 O32 -","8","1","","Birchall, Lee T.; Shehata, Sara; McCarthy, Sean; Shepherd, Helena J.; Clark, Ewan R.; Serpell, Christopher J.; Biagini, Stefano C. G.","Supramolecular behaviour and fluorescence of rhodamine-functionalised ROMP polymers","Polymer Chemistry","2020","11","32","5279","5285","10.1039/D0PY00799D","","x-ray","1.54184","CuKα","","0.043","0.0366","","","0.0903","0.0948","","","","","","1.024","","","","has coordinates,has disorder","257934","2020-10-21","18:00:00",""
"1558616","20.276","0.003","8.9776","0.0009","9.1929","0.001","90","","99.218","0.005","90","","1651.8","0.3","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C84 H76 N4 O16 -","4","1","","Ling, Xia; Huang, Letao; Li, Youzhen; Wan, Qing; Wang, Zhiming; Qin, Anjun; Gao, Meng; Tang, Ben Zhong","Photoactivatable dihydroalkaloids for cancer cell imaging and chemotherapy with high spatiotemporal resolution","Materials Horizons","2020","7","10","2696","2701","10.1039/D0MH00931H","","","0.71073","MoKα","","0.0649","0.0432","","","0.1044","0.1185","","","","","","1.05","","","","has coordinates","258151","2020-10-21","18:00:00",""
"1558617","13.288","0.006","8.182","0.003","17.804","0.007","90","","96.917","0.014","90","","1921.6","1.4","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl N O5 -","- C22 H22 Cl N O5 -","- C88 H88 Cl4 N4 O20 -","4","1","","Ling, Xia; Huang, Letao; Li, Youzhen; Wan, Qing; Wang, Zhiming; Qin, Anjun; Gao, Meng; Tang, Ben Zhong","Photoactivatable dihydroalkaloids for cancer cell imaging and chemotherapy with high spatiotemporal resolution","Materials Horizons","2020","7","10","2696","2701","10.1039/D0MH00931H","","","0.71073","MoKα","","0.0454","0.0357","","","0.092","0.0995","","","","","","1.037","","","","has coordinates","258151","2020-10-21","18:00:00",""
"1558618","9.3078","0.0003","10.2556","0.0003","17.487","0.0005","103.668","0.001","100.331","0.001","103.757","0.001","1525.61","0.08","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N O4 -","- C20 H15 N O4 -","- C80 H60 N4 O16 -","4","2","","Ling, Xia; Huang, Letao; Li, Youzhen; Wan, Qing; Wang, Zhiming; Qin, Anjun; Gao, Meng; Tang, Ben Zhong","Photoactivatable dihydroalkaloids for cancer cell imaging and chemotherapy with high spatiotemporal resolution","Materials Horizons","2020","7","10","2696","2701","10.1039/D0MH00931H","","","0.71073","MoKα","","0.0537","0.0432","","","0.1151","0.1233","","","","","","1.032","","","","has coordinates","258151","2020-10-21","18:00:00",""
"1558619","18.75","0.0002","15.8889","0.0002","27.5984","0.0003","90","","90","","90","","8222.03","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Os3(CO)8(PTA)4","1,1,2,2,2,3,3,3-Octacarbonyl-1,1,2,3-tetrakis(1,3,5-triaza-7-phosphatricyclo[3.3.1.1^3,7^]decane-κ<i>P</i>)-<i>triangulo</i>-triosmium(0)","","- C32 H48 N12 O8 Os3 P4 -","- C32 H48 N12 O8 Os3 P4 -","- C256 H384 N96 O64 Os24 P32 -","8","1","WM4135","Marolf, David M.; Brehm, Kristen L.; Lynch, Vincent M.; Powell, Gregory L.","1,1,2,2,2,3,3,3-Octacarbonyl-1,1,2,3-tetrakis(1,3,5-triaza-7-phosphatricyclo[3.3.1.1^3,7^]decane-κ<i>P</i>)-<i>triangulo</i>-triosmium(0)","IUCrData","2020","5","7","x200935","","10.1107/S2414314620009359","","","1.54184","CuKα","","0.039","0.0321","","","0.0743","0.0761","","","","","","1.141","","","","has coordinates,has disorder,has Fobs","254397","2020-10-21","18:00:00",""
"1558620","55.051","0.017","3.8355","0.0011","35.979","0.012","90","","125.214","0.006","90","","6207","3","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(<i>Z</i>)-5-(4-Bromophenyl)-3-{[(3,5-dichlorophenyl)amino]methylidene}furan-2(3<i>H</i>)-one","","- C17 H10 Br Cl2 N O2 -","- C17 H10 Br Cl2 N O2 -","- C272 H160 Br16 Cl32 N16 O32 -","16","2","VM4045","Mayorova, Oksana A.; Grinev, Vyacheslav S.; Yegorova, Alevtina Yu.","(<i>Z</i>)-5-(4-Bromophenyl)-3-{[(3,5-dichlorophenyl)amino]methylidene}furan-2(3<i>H</i>)-one","IUCrData","2020","5","7","x200937","","10.1107/S2414314620009372","","","0.71073","MoKα","","0.1574","0.0919","","","0.1931","0.22","","","","","","1.057","","","","has coordinates,has Fobs","254398","2020-10-21","18:00:00",""
"1558621","23.6627","0.0012","23.6627","0.0012","10.9815","0.0006","90","","90","","120","","5325","0.5","150","2","150","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","Tris[<i>N</i>,<i>N</i>-bis(3,5-di-<i>tert</i>-butylbenzyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']-μ~3~-sulfido-tris-μ~2~-disulfido-<i>triangulo</i>-trimolybdenum(IV) iodide","","- C93 H138 I Mo3 N3 S13 -","- C93 H138 I Mo3 N3 S13 -","- C186 H276 I2 Mo6 N6 S26 -","2","0.333333","PK4027","Chen, Yueli; Wang, Bo; Fontenot, Patricia; Donahue, James P.","Tris[<i>N</i>,<i>N</i>-bis(3,5-di-<i>tert</i>-butylbenzyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']-μ~3~-sulfido-tris-μ~2~-disulfido-<i>triangulo</i>-trimolybdenum(IV) iodide","IUCrData","2020","5","7","x200939","","10.1107/S2414314620009396","","","0.71073","MoKα","","0.0427","0.0366","","","0.1004","0.1036","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","254399","2020-10-21","18:00:00",""
"1558623","7.6535","0.0003","13.7374","0.0005","31.5932","0.0015","90","","90","","90","","3321.7","0.2","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C160 H160 N16 O24 -","8","2","","Zhang, Jian; Liu, Zhi-Wen; Li, Yong; Wei, Cui-Jie; Xie, Jing; Yuan, Meng-Fei; Zhang, Dong-Mei; Ye, Wen-Cai; Zhang, Xiao-Qi","Structurally Diverse Indole Alkaloids with Vasorelaxant Activity from Melodinus hemsleyanus","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00925","","x-ray","1.54184","CuKα","","0.1013","0.0951","","","0.2315","0.235","","","","","","1.1","","","","has coordinates","254409","2020-10-21","18:00:00",""
"1558624","8.7009","0.0001","11.6468","0.0002","42.6723","0.0007","90","","90","","90","","4324.31","0.11","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N3 O9 -","- C20 H25 N3 O9 -","- C160 H200 N24 O72 -","8","2","","Zhang, Jian; Liu, Zhi-Wen; Li, Yong; Wei, Cui-Jie; Xie, Jing; Yuan, Meng-Fei; Zhang, Dong-Mei; Ye, Wen-Cai; Zhang, Xiao-Qi","Structurally Diverse Indole Alkaloids with Vasorelaxant Activity from Melodinus hemsleyanus","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00925","","x-ray","1.54178","CuKα","","0.0477","0.0468","","","0.1336","0.1344","","","","","","1.052","","","","has coordinates","254410","2020-10-21","18:00:00",""
"1558626","4.5997","0.0003","56.635","0.004","5.5074","0.0004","90","","99.223","0.004","90","","1416.15","0.17","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H53 N O2 -","- C29 H53 N O2 -","- C58 H106 N2 O4 -","2","1","","Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W.","The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts","Chemical Science","2020","","","","","10.1039/D0SC02540B","","x-ray","1.54178","CuKα","","0.1647","0.0894","","","0.2105","0.2497","","","","","","1.045","","","","has coordinates","254418","2020-10-21","18:00:00",""
"1558627","5.4494","0.0003","8.9235","0.0005","57.441","0.003","90","","92.643","0.002","90","","2790.3","0.3","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H47 N O2 -","- C31 H47 N O2 -","- C124 H188 N4 O8 -","4","1","","Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W.","The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts","Chemical Science","2020","","","","","10.1039/D0SC02540B","","x-ray","0.71073","MoKα","","0.1242","0.056","","","0.1073","0.1255","","","","","","1.034","","","","has coordinates,has disorder","254418","2020-10-21","18:00:00",""
"1558628","5.3544","0.0003","6.8239","0.0004","39.92","0.002","87.742","0.004","88.869","0.004","75.291","0.004","1409.62","0.14","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H46 N2 O2 -","- C30 H46 N2 O2 -","- C60 H92 N4 O4 -","2","1","","Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W.","The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts","Chemical Science","2020","","","","","10.1039/D0SC02540B","","x-ray","1.54178","CuKα","","0.1569","0.0994","","","0.1798","0.2017","","","","","","1.09","","","","has coordinates","254418","2020-10-21","18:00:00",""
"1558629","9.5968","0.0006","4.6441","0.0003","57.52","0.004","90","","92.59","0.002","90","","2561","0.3","120","","120","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C54 H95 N O4 -","- C54 H95 N O4 -","- C108 H190 N2 O8 -","2","0.5","","Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W.","The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts","Chemical Science","2020","","","","","10.1039/D0SC02540B","","x-ray","0.71073","MoKα","","0.0945","0.0561","","","0.1217","0.1361","","","","","","1.049","","","","has coordinates,has disorder","254418","2020-10-21","18:00:00",""
"1558630","5.577","0.0004","11.8339","0.0008","23.0041","0.0015","100.67","0.002","96.096","0.002","103.007","0.002","1436.25","0.17","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H104 N2 O4 -","- C60 H104 N2 O4 -","- C60 H104 N2 O4 -","1","0.5","","Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W.","The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts","Chemical Science","2020","","","","","10.1039/D0SC02540B","","x-ray","0.71073","MoKα","","0.0754","0.0497","","","0.1263","0.1398","","","","","","1.019","","","","has coordinates","254418","2020-10-21","18:00:00",""
"1558631","4.5738","0.0003","5.3909","0.0003","46.647","0.003","88.6499","0.0015","88.5073","0.0014","81.4017","0.0014","1136.63","0.12","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C25 H42 O2 -","- C25 H42 O2 -","- C50 H84 O4 -","2","1","","Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W.","The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts","Chemical Science","2020","","","","","10.1039/D0SC02540B","","x-ray","0.6889","synchrotron","","0.0802","0.064","","","0.1772","0.1886","","","","","","1.035","","","","has coordinates","254418","2020-10-21","18:00:00",""
"1558632","5.4415","0.0002","8.9535","0.0004","55.673","0.003","90","","90.8823","0.001","90","","2712.1","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H92 N2 O4 -","- C60 H92 N2 O4 -","- C120 H184 N4 O8 -","2","0.5","","Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W.","The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts","Chemical Science","2020","","","","","10.1039/D0SC02540B","","x-ray","0.6889","synchrotron","","0.0562","0.0529","","","0.151","0.1553","","","","","","1.069","","","","has coordinates","254418","2020-10-21","18:00:00",""
"1558633","20.0926","0.0014","8.0678","0.0006","11.6061","0.0008","90","","97.064","0.003","90","","1867.1","0.2","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H17 N O3 -","- C8 H17 N O3 -","- C64 H136 N8 O24 -","8","1","","Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W.","The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts","Chemical Science","2020","","","","","10.1039/D0SC02540B","","x-ray","0.71073","MoKα","","0.0505","0.0356","","","0.0931","0.1011","","","","","","1.023","","","","has coordinates","254418","2020-10-21","18:00:00",""
"1558634","20.0773","0.0005","20.0773","0.0005","23.9655","0.0008","90","","90","","90","","9660.4","0.5","223","1","223","1","","","","","","","","5","I -4","I -4","82","","","","- C240 H168 N12 O38 Pd2 -","- C240 H168 N12 O38 Pd2 -","- C480 H336 N24 O76 Pd4 -","2","0.25","","Tsutsui, Takahiro; Catti, Lorenzo; Yoza, Kenji; Yoshizawa, Michito","An Atropisomeric M2L4 Cage Mixture Displaying Guest-Induced Convergence and Strong Guest Emission in Water","Chemical Science","2020","","","","","10.1039/D0SC03223A","","","0.71073","MoKα","","0.1256","0.0991","","","0.2732","0.3162","","","","","","1.332","","","","has coordinates,has disorder","254419","2020-10-21","18:00:00",""
"1558635","7.1488","0.0004","9.197","0.0004","8.9688","0.0004","91.708","0.006","98.099","0.006","77.201","0.005","569.29","0.05","","","298","","","","100","","","","","9","P -1","-P 1","2","Ca2(Fe0.565Mn0.33Mg0.08Ca0.025)(Al1.94Fe0.06)Si4BO15(OH)","","axinite-Fe","- Al1.94 B Ca2.025 Fe0.615 H Mg0.08 Mn0.33 O16 Si4 -","- Al1.94 B Ca2.025 Fe0.625 H Mg0.08 Mn0.33 O16 Si4 -","- Al3.88 B2 Ca4.05 Fe1.25 H2 Mg0.16 Mn0.66 O32 Si8 -","2","1","","Kitahara, D.; Arima, H.; Kawamata, T.; Sugiyama, K.; Mikouchi, T.","The location of Mn and Fe in axinite-(Fe) from Nandan, China determined by anomalous X-ray scattering (AXS)","Journal of Mineralogical and Petrological Sciences","2020","115","","227","235","10.2465/jmps.190110","","","","","","","","","","","","","","","","","","","","","has coordinates","259040","2020-11-07","23:26:46",""
"1558636","3.8803","0.0001","3.8803","0.0001","7.7796","0.0004","90","","90","","90","","117.135","0.007","","","298","","","","100","","","","","5","P 4/m m m","-P 4 2","123","Sr(Co0.87Nb0.1Sn0.03)O2.74","","","- Co0.87 Nb0.1 O2.74 Sn0.03 Sr -","- Co O2.74 Sr -","- Co2 O5.48 Sr2 -","2","0.125","","Park, J.H.; Lee, Y.A.; Yu, J.H.; Lee, J.H.; Yoon, H.; Cho, Y.; Yoo, C.-Y.","Effects of Nb and Sn co-doping on the structure and properties of SrCoO3-d oxygen transport membranes","Journal of Asian Ceramic Societies","2020","8","","519","527","10.1080/21870764.2020.1756066","","","","","","","","","","","","","","","","","","","","","has coordinates","254429","2020-10-21","18:00:00",""
"1558637","3.8875","0.0001","3.8875","0.0001","7.7906","0.0004","90","","90","","90","","117.737","0.007","","","298","","","","100","","","","","5","P 4/m m m","-P 4 2","123","Sr(Co0.85Nb0.1Sn0.05)O2.76","","","- Co0.85 Nb0.1 O2.76 Sn0.05 Sr -","- Co O2.76 Sr -","- Co2 O5.52 Sr2 -","2","0.125","","Park, J.H.; Lee, Y.A.; Yu, J.H.; Lee, J.H.; Yoon, H.; Cho, Y.; Yoo, C.-Y.","Effects of Nb and Sn co-doping on the structure and properties of SrCoO3-d oxygen transport membranes","Journal of Asian Ceramic Societies","2020","8","","519","527","10.1080/21870764.2020.1756066","","","","","","","","","","","","","","","","","","","","","has coordinates","254430","2020-10-21","18:00:00",""
"1558638","6.571","0.003","12.434","0.005","12.168","0.006","90","","93.376","0.007","90","","992.4","0.8","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methoxy-1-phenylpyridin-2(1H)-one","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","","Kuriyama, Masami; Hanazawa, Natsumi; Abe, Yusuke; Katagiri, Kotone; Ono, Shimpei; Yamamoto, Kosuke; Onomura, Osamu","N- and O-Arylation of Pyridin-2-ones with Diaryliodonium Salts: Base-Dependent Orthogonal Selectivity under Metal-Free Conditions","Chemical Science","2020","","","","","10.1039/D0SC02516J","","","0.71075","MoKα","","0.0925","0.0693","","","0.1384","0.1506","","","","","","1.189","","","","has coordinates","254449","2020-10-21","18:00:00",""
"1558639","9.935","0.005","7.985","0.004","13.41","0.007","90","","110.758","0.009","90","","994.8","0.9","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Methoxy-2-phenoxypyridine","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","","Kuriyama, Masami; Hanazawa, Natsumi; Abe, Yusuke; Katagiri, Kotone; Ono, Shimpei; Yamamoto, Kosuke; Onomura, Osamu","N- and O-Arylation of Pyridin-2-ones with Diaryliodonium Salts: Base-Dependent Orthogonal Selectivity under Metal-Free Conditions","Chemical Science","2020","","","","","10.1039/D0SC02516J","","","0.71075","MoKα","","0.1042","0.0617","","","0.1159","0.1373","","","","","","1.09","","","","has coordinates","254449","2020-10-21","18:00:00",""
"1558640","6.0218","0.0015","15.569","0.004","17.415","0.004","90","","91.278","0.005","90","","1632.3","0.7","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diphenyliodonium 2-oxo-5-(trifluoromethyl)-2H-pyridin-1-ide","","- C18 H13 F3 I N O -","- C18 H13 F3 I N O -","- C72 H52 F12 I4 N4 O4 -","4","1","","Kuriyama, Masami; Hanazawa, Natsumi; Abe, Yusuke; Katagiri, Kotone; Ono, Shimpei; Yamamoto, Kosuke; Onomura, Osamu","N- and O-Arylation of Pyridin-2-ones with Diaryliodonium Salts: Base-Dependent Orthogonal Selectivity under Metal-Free Conditions","Chemical Science","2020","","","","","10.1039/D0SC02516J","","","0.71075","MoKα","","0.0559","0.0417","","","0.0888","0.1059","","","","","","1.274","","","","has coordinates","254449","2020-10-21","18:00:00",""
"1558641","16.6384","0.0004","21.0131","0.0006","9.0227","0.0002","90","","90","","90","","3154.56","0.14","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C35 H46 Al F N2 -","- C35 H46 Al F N2 -","- C140 H184 Al4 F4 N8 -","4","0.5","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","1.54184","CuKα","","0.0703","0.0458","","","0.1072","0.1248","","","","","","1.04","","","","has coordinates,has disorder","254450","2020-10-21","18:00:00",""
"1558642","16.641","0.0008","21.2084","0.0007","8.9762","0.0004","90","","90","","90","","3168","0.2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C35 H45 Al F2 N2 -","- C35 H45 Al F2 N2 -","- C140 H180 Al4 F8 N8 -","4","0.5","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","0.71073","MoKα","","0.0643","0.0482","","","0.1085","0.1179","","","","","","1.059","","","","has coordinates,has disorder","254450","2020-10-21","18:00:00",""
"1558643","22.3034","0.0005","19.6726","0.0005","7.40067","0.00018","90","","90","","90","","3247.16","0.14","173","2","173","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C35 H45 Al F2 N2 -","- C35 H45 Al F2 N2 -","- C140 H180 Al4 F8 N8 -","4","0.5","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","1.54184","CuKα","","0.041","0.0355","","","0.0901","0.0936","","","","","","1.067","","","","has coordinates","254450","2020-10-21","18:00:00",""
"1558644","12.2421","0.0003","22.2792","0.0004","12.5805","0.0003","90","","109.551","0.003","90","","3233.43","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H44 Al F3 N2 -","- C35 H44 Al F3 N2 -","- C140 H176 Al4 F12 N8 -","4","1","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","1.54184","CuKα","","0.0579","0.0417","","","0.1027","0.1145","","","","","","1.02","","","","has coordinates,has disorder","254450","2020-10-21","18:00:00",""
"1558645","14.5388","0.0005","20.1047","0.0006","8.9393","0.0003","90","","90","","90","","2612.94","0.15","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H33.25 Al F1.75 N2 -","- C29 H33 Al F1.75 N2 -","- C116 H132 Al4 F7 N8 -","4","0.5","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","1.54184","CuKα","","0.0727","0.0549","","","0.1368","0.1609","","","","","","1.034","","","","has coordinates,has disorder","254450","2020-10-21","18:00:00",""
"1558646","25.104","0.0008","18.4374","0.0008","17.7897","0.0005","90","","90","","90","","8234","0.5","173","2","173","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C45.5 H56 Al F3 N2 -","- C45.5 H56 Al F3 N2 -","- C364 H448 Al8 F24 N16 -","8","1","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","0.71073","MoKα","","0.0454","0.0353","","","0.0796","0.085","","","","","","1.023","","","","has coordinates,has disorder","254450","2020-10-21","18:00:00",""
"1558647","14.522","0.0004","20.1046","0.0008","8.9481","0.0003","90","","90","","90","","2612.48","0.15","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H33.25 Al F1.75 N2 -","- C29 H33 Al F1.75 N2 -","- C116 H132 Al4 F7 N8 -","4","0.5","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","1.54184","CuKα","","0.0667","0.0491","","","0.1245","0.1419","","","","","","1.028","","","","has coordinates,has disorder","254450","2020-10-21","18:00:00",""
"1558648","12.088","0.002","12.625","0.002","16.135","0.003","81.857","0.002","89.421","0.003","77.548","0.002","2379.7","0.7","100","","100","","","","","","","","","7","P -1","-P 1","2","","[(FeMe6tren)2(C6H4O2)][B(C6F5)4]2","","- C86 H80 B2 F40 Fe2 N8 O4 -","- C86 H80 B2 F40 Fe2 N8 O4 -","- C86 H80 B2 F40 Fe2 N8 O4 -","1","0.5","","Chakarawet, Khetpakorn; Harris, T. David; Long, Jeffrey R.","Semiquinone radical-bridged M2 (M = Fe, Co, Ni) complexes with strong magnetic exchange giving rise to slow magnetic relaxation","Chemical Science","2020","","","","","10.1039/D0SC03078C","","","0.7288","synchrotron","","0.0685","0.0541","","","0.1461","0.1585","","","","","","1.036","","","","has coordinates,has disorder","254451","2020-10-21","18:00:00",""
"1558649","12.009","0.003","12.574","0.003","16.141","0.004","82.488","0.003","89.864","0.003","77.525","0.003","2358.5","1","100","","100","","","","","","","","","7","P -1","-P 1","2","","[(CoMe6tren)2(C6H4O2)][B(C6F5)4]2","","- C86 H80 B2 Co2 F40 N8 O4 -","- C86 H80 B2 Co2 F40 N8 O4 -","- C86 H80 B2 Co2 F40 N8 O4 -","1","0.5","","Chakarawet, Khetpakorn; Harris, T. David; Long, Jeffrey R.","Semiquinone radical-bridged M2 (M = Fe, Co, Ni) complexes with strong magnetic exchange giving rise to slow magnetic relaxation","Chemical Science","2020","","","","","10.1039/D0SC03078C","","","0.7288","synchrotron","","0.0622","0.0492","","","0.1275","0.138","","","","","","1.031","","","","has coordinates,has disorder","254451","2020-10-21","18:00:00",""
"1558650","12.015","0.002","12.54","0.002","16.083","0.003","97.774","0.003","90.679","0.003","101.898","0.002","2347.4","0.7","100","2","100","","","","","","","","","7","P -1","-P 1","2","","[(NiMe6tren)2(C6H4O2)][B(C6F5)4]2","","- C90 H90 B2 F40 N8 Ni2 O5 -","- C90 H90 B2 F40 N8 Ni2 O5 -","- C90 H90 B2 F40 N8 Ni2 O5 -","1","0.5","","Chakarawet, Khetpakorn; Harris, T. David; Long, Jeffrey R.","Semiquinone radical-bridged M2 (M = Fe, Co, Ni) complexes with strong magnetic exchange giving rise to slow magnetic relaxation","Chemical Science","2020","","","","","10.1039/D0SC03078C","","","0.7288","synchrotron","","0.0484","0.0393","","","0.1013","0.1074","","","","","","1.049","","","","has coordinates,has disorder","254451","2020-10-21","18:00:00",""
"1558651","26.788","0.006","22.494","0.005","19.436","0.005","90","","110.506","0.003","90","","10969","4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(FeMe6tren)2(C6H4O2)][B(C6F5)4]3","","- C106 H74 B3 F60 Fe2 N8 O3 -","- C106 H74 B3 F60 Fe2 N8 O3 -","- C424 H296 B12 F240 Fe8 N32 O12 -","4","1","","Chakarawet, Khetpakorn; Harris, T. David; Long, Jeffrey R.","Semiquinone radical-bridged M2 (M = Fe, Co, Ni) complexes with strong magnetic exchange giving rise to slow magnetic relaxation","Chemical Science","2020","","","","","10.1039/D0SC03078C","","","0.7288","synchrotron","","0.0633","0.0445","","","0.1057","0.1159","","","","","","1.041","","","","has coordinates,has disorder","254451","2020-10-21","18:00:00",""
"1558652","26.694","0.01","22.411","0.008","19.45","0.007","90","","110.424","0.004","90","","10904","7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(NiMe6tren)2(C6H4O2)][B(C6F5)4]3","","- C106 H74 B3 F60 N8 Ni2 O3 -","- C106 H74 B3 F60 N8 Ni2 O3 -","- C424 H296 B12 F240 N32 Ni8 O12 -","4","1","","Chakarawet, Khetpakorn; Harris, T. David; Long, Jeffrey R.","Semiquinone radical-bridged M2 (M = Fe, Co, Ni) complexes with strong magnetic exchange giving rise to slow magnetic relaxation","Chemical Science","2020","","","","","10.1039/D0SC03078C","","","0.7288","synchrotron","","0.0651","0.0487","","","0.1155","0.1271","","","","","","1.028","","","","has coordinates,has disorder","254451","2020-10-21","18:00:00",""
"1558653","26.75","0.01","22.475","0.008","19.437","0.007","90","","110.625","0.004","90","","10937","7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(CoMe6tren)2(C6H4O2)][B(C6F5)4]3","","- C106 H74 B3 Co2 F60 N8 O3 -","- C106 H74 B3 Co2 F60 N8 O3 -","- C424 H296 B12 Co8 F240 N32 O12 -","4","1","","Chakarawet, Khetpakorn; Harris, T. David; Long, Jeffrey R.","Semiquinone radical-bridged M2 (M = Fe, Co, Ni) complexes with strong magnetic exchange giving rise to slow magnetic relaxation","Chemical Science","2020","","","","","10.1039/D0SC03078C","","","0.7288","synchrotron","","0.0783","0.0617","","","0.144","0.1528","","","","","","1.136","","","","has coordinates,has disorder","254451","2020-10-21","18:00:00",""
"1558654","31.8763","0.0012","6.7502","0.0002","27.2595","0.001","90","","114.087","0.002","90","","5354.7","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H25 N O -","- C37 H25 N O -","- C296 H200 N8 O8 -","8","1","","Frigoli, Michel; Jousselin-Oba, Tanguy; Mamada, Masashi; Marrot, Jérôme; Zangarelli, Agnese; Pannacci, Danilo; Adachi, Chihaya; Ortica, Fausto","Synthesis and photochromic behaviour of a series of benzopyrans bearing an N-phenyl-carbazole moiety: photochromism control by the steric effect.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","10","1344","1355","10.1039/d0pp00202j","","","0.71073","MoKα","","0.0621","0.0565","","","0.1323","0.1351","","","","","","1.17","","","","has coordinates","258982","2020-11-06","13:17:56",""
"1558655","10.747","0.003","11.263","0.003","12.692","0.004","90","","102.758","0.012","90","","1498.4","0.7","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl2 Rh2 -","- C16 H16 Cl2 Rh2 -","- C64 H64 Cl8 Rh8 -","4","1","","Tang, Tang; Ahumada, Guillermo; Bielawski, Christopher W.","Direct laser writing of poly(phenylene vinylene) on poly(barrelene)","Polymer Chemistry","2020","11","34","5437","5443","10.1039/D0PY00869A","","","1.54187","CuKα","","0.0353","0.033","","","0.0803","0.0812","","","","","","0.969","","","","has coordinates,has disorder","257951","2020-10-21","18:00:00",""
"1558656","12.6825","0.0008","8.3355","0.0005","7.2205","0.0005","90","","120.444","0.003","90","","658.07","0.08","302","2","302","2","","","","","","","","4","C 1 2 1","C 2y","5","","Poly[diethylammonium [tetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-tricuprate(I)]]","","- C8 H12 Cu3 N5 -","- C8 H12 Cu3 N5 -","- C16 H24 Cu6 N10 -","2","0.5","PK4028","Corfield, Peter W. R.; Stavola, Thomas James","Poly[diethylammonium [tetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-tricuprate(I)]], a two-dimensional network solid","IUCrData","2020","5","7","x200968","","10.1107/S2414314620009682","","","0.7107","MoKα","","0.0464","0.0308","","","0.0623","0.0692","","","","","","1.041","","","","has coordinates,has Fobs","254476","2020-10-21","18:00:00",""
"1558657","9.8084","0.001","11.6806","0.0011","12.0754","0.0013","77.474","0.006","85.686","0.006","80.742","0.006","1331.8","0.2","446","2","446","2","","","","","","","","5","P -1","-P 1","2","","2-[1-(4-<i>tert</i>-Butylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]-4,6-dichlorophenol","","- C31 H26 Cl2 N2 O -","- C31 H26 Cl2 N2 O -","- C62 H52 Cl4 N4 O2 -","2","1","HB4352","Shraddha, K. N.; Begum, Noor Shahina","2-[1-(4-<i>tert</i>-Butylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]-4,6-dichlorophenol","IUCrData","2020","5","7","x200870","","10.1107/S2414314620008706","","","0.71073","MoKα","","0.079","0.0634","","","0.1978","0.2212","","","","","","1.14","","","","has coordinates,has disorder,has Fobs","254477","2020-10-21","18:00:00",""
"1558658","9.2324","0.0003","11.1656","0.0004","23.3497","0.0008","90","","90","","90","","2407.01","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecane-13-spiro-5'-pyrazole-3'-carboxylate","","- C25 H29 Cl N2 O7 -","- C25 H29 Cl N2 O7 -","- C100 H116 Cl4 N8 O28 -","4","1","BT4095","Outahar, Fatima; Moumou, Mohamed; Rakib, El Mostapha; Hannioui, Abdellah; Saadi, Mohamed; El Ammari, Lahcen","Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecane-13-spiro-5'-pyrazole-3'-carboxylate","IUCrData","2020","5","7","x200945","","10.1107/S2414314620009451","","","0.71073","MoKα","","0.0475","0.0381","","","0.1002","0.1074","","","","","","1.04","","","","has coordinates,has Fobs","254478","2020-10-21","18:00:00",""
"1558659","11.8749","0.0004","6.1545","0.0002","12.1392","0.0004","90","","105.369","0.001","90","","855.46","0.05","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H20 O -","- C23 H20 O -","- C46 H40 O2 -","2","1","","Yuan, Yuan; Zhang, Xue; Qian, Hui; Ma, Shengming","Catalytic enantioselective allene-anhydride approach to β,γ-unsaturated enones bearing an α-all-carbon-quaternary center","Chemical Science","2020","","","","","10.1039/D0SC03227A","","","1.54178","CuKα","","0.0398","0.0389","","","0.1094","0.1109","","","","","","1.048","","","","has coordinates","254490","2020-10-21","18:00:00",""
"1558660","9.8823","0.0015","11.2269","0.0015","15.424","0.002","100.041","0.007","90.517","0.006","102.779","0.007","1641.3","0.4","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H32 N2 O2 -","- C46 H32 N2 O2 -","- C92 H64 N4 O4 -","2","1","","Goto, Masahide; Yajima, Tatsuo; Minami, Masaki; Sogawa, Hiromitsu; Sanda, Fumio","Synthesis and Cross-Linking of a Benzoxazine-Containing Anthracene Moiety: Thermally Stable Photoluminescent Benzoxazine Resin","Macromolecules","2020","","","","","10.1021/acs.macromol.0c00910","","","0.71075","MoKα","","0.1548","0.054","","","0.0914","0.1147","","","","","","0.856","","","","has coordinates","254524","2020-10-21","18:00:00",""
"1558661","10.715","0.002","11.6367","0.0016","14.6771","0.0016","110.288","0.011","110.241","0.013","91.134","0.013","1590.1","0.5","190","2","190","2","","","","","","","","3","P 1","P 1","1","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C69 H102 O12 -","3","3","","Chen, Ming; Wang, Wen-Jing; Li, Ni-Ping; Zeng, Hu-Hu; Guo, Hong; Jiang, Ren-Wang; Wang, Lei; Ye, Wen-Cai","Myrcaulones A‒C, Unusual Rearranged Triketone‒Terpene Adducts from Myrciaria cauliflora","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00283","","","1.54184","CuKα","","0.1496","0.1277","","","0.3099","0.352","","","","","","1.216","","","","has coordinates","254557","2020-10-21","18:00:00",""
"1558662","6.0857","0.0001","16.6326","0.0003","19.5442","0.0003","90","","90","","90","","1978.28","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C88 H128 O16 -","4","1","","Chen, Ming; Wang, Wen-Jing; Li, Ni-Ping; Zeng, Hu-Hu; Guo, Hong; Jiang, Ren-Wang; Wang, Lei; Ye, Wen-Cai","Myrcaulones A‒C, Unusual Rearranged Triketone‒Terpene Adducts from Myrciaria cauliflora","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00283","","","1.54178","CuKα","","0.0475","0.0462","","","0.1296","0.1318","","","","","","1.067","","","","has coordinates","254558","2020-10-21","18:00:00",""
"1558663","6.1587","0.0005","9.3173","0.0008","15.993","0.0013","96.1247","0.0013","90.4111","0.0013","99.2413","0.0014","900.36","0.13","149","2","149","2","","","","","","","","3","P -1","-P 1","2","cis-3-([1,1?-biphenyl]-4-ylmethyl)-4-neopentyltetrahydrofuran","LL-2","","- C22 H28 O -","- C22 H28 O -","- C44 H56 O2 -","2","1","","Liu, Lei; Lee, Wes; Youshaw, Cassandra R.; Yuan, Mingbin; Geherty, Michael B.; Zavalij, Peter Y.; gutierrez, osvaldo","Fe-Catalyzed Three-Component Dicarbofunctionalization of Unactivated Alkenes with Alkyl Halides and Grignard Reagents","Chemical Science","2020","","","","","10.1039/D0SC02127J","","","0.71073","MoKα","","0.0554","0.0487","","","0.0938","0.0963","","","","","","1","","","","has coordinates","254567","2020-10-21","18:00:00",""
"1558664","12.9243","0.0002","16.0575","0.0002","18.3402","0.0003","90","","103.636","0.001","90","","3698.89","0.1","100","0.7","100","0.7","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H45 N5 O2 -","- C45 H45 N5 O2 -","- C180 H180 N20 O8 -","4","1","","Heo, Nam Jung; Sessler, Jonathan L.; Ko, Byoung Joon; Kim, Sung Kuk; Yang, Ju Ho; Lynch, Vincent","Capture and displacement-based release of the bicarbonate anion by calix[4]pyrroles with small rigid straps","Chemical Science","2020","","","","","10.1039/D0SC03445B","","x-ray","1.54184","CuKα","","0.0515","0.0488","","","0.1294","0.1328","","","","","","1.031","","","","has coordinates","254568","2020-10-21","18:00:00",""
"1558665","15.3125","0.0002","15.3125","0.0002","23.868","0.0004","90","","90","","90","","5596.39","0.14","100.01","0.11","100.01","0.11","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C54 H65 N6 O5 -","- C54 H65 N6 O5 -","- C216 H260 N24 O20 -","4","0.5","","Heo, Nam Jung; Sessler, Jonathan L.; Ko, Byoung Joon; Kim, Sung Kuk; Yang, Ju Ho; Lynch, Vincent","Capture and displacement-based release of the bicarbonate anion by calix[4]pyrroles with small rigid straps","Chemical Science","2020","","","","","10.1039/D0SC03445B","","x-ray","1.54184","CuKα","","0.0891","0.0802","","","0.2419","0.2557","","","","","","1.054","","","","has coordinates,has disorder","254568","2020-10-21","18:00:00",""
"1558666","7.9004","0.0002","10.426","0.0003","10.5078","0.0003","99.903","0.002","104.93","0.002","110.061","0.003","752.55","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[[μ-<i>trans</i>-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>']-μ-iodido-copper(I)]‒<i>trans</i>-1,2-bis(pyridin-4-yl)ethene (1/0.25)]","","- C15 H12.5 Cu I N2.5 -","- C15 H12.5 Cu I N2.5 -","- C30 H25 Cu2 I2 N5 -","2","1","BH4052","Hoffman, Jessica L.; Akhigbe, Jessie E.; Reinheimer, Eric W.; Smucker, Bradley W.","Poly[[[μ-<i>trans</i>-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>']-μ-iodido-copper(I)]‒<i>trans</i>-1,2-bis(pyridin-4-yl)ethene (1/0.25)]","IUCrData","2020","5","7","x200998","","10.1107/S2414314620009980","","","0.71073","MoKα","","0.0542","0.0349","","","0.0817","0.0912","","","","","","1.031","","","","has coordinates,has Fobs","254587","2020-10-21","18:00:00",""
"1558667","20.704","0.002","20.704","0.002","13.5643","0.0016","90","","90","","120","","5035.4","0.9","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C24.38 H28.5 F1.5 N3 O5.62 -","- C24.375 H28.5 F1.5 N3 O5.54625 -","- C195 H228 F12 N24 O44.37 -","8","1.33333","","Kallemeyn, Jeffrey M.; Engstrom, Kenneth M.; Pelc, Matthew J.; Lukin, Kirill A.; Morrill, Westin H.; Wei, Haojuan; Towne, Timothy B.; Henle, Jeremy; Nere, Nandkishor K.; Welch, Dennie S.; Shekhar, Shashank; Ravn, Matthew M.; Zhao, Gang; Fickes, Michael G.; Ding, Chen; Vinci, John C.; Marren, James; Cink, Russell D.","Development of a Large-Scale Route to Glecaprevir: Synthesis of the Macrocycle via Intramolecular Etherification","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00244","","","0.71073","MoKα","","0.0429","0.0414","","","0.1221","0.1245","","","","","","1.021","","","","has coordinates,has disorder","254630","2020-10-21","18:00:00",""
"1558668","12.805","0.003","23.973","0.006","32.637","0.008","90","","90","","90","","10019","4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32.33 H39 F2 N5.67 O7 -","- C32.3333 H39 F2 N5.66667 O7 -","- C388 H468 F24 N68 O84 -","12","3","","Kallemeyn, Jeffrey M.; Engstrom, Kenneth M.; Pelc, Matthew J.; Lukin, Kirill A.; Morrill, Westin H.; Wei, Haojuan; Towne, Timothy B.; Henle, Jeremy; Nere, Nandkishor K.; Welch, Dennie S.; Shekhar, Shashank; Ravn, Matthew M.; Zhao, Gang; Fickes, Michael G.; Ding, Chen; Vinci, John C.; Marren, James; Cink, Russell D.","Development of a Large-Scale Route to Glecaprevir: Synthesis of the Macrocycle via Intramolecular Etherification","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00244","","","0.71073","MoKα","","0.2198","0.1136","","","0.2034","0.2435","","","","","","1.047","","","","has coordinates","254631","2020-10-21","18:00:00",""
"1558669","20.7","0.003","20.7","0.003","13.6652","0.0017","90","","90","","120","","5070.9","1.2","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C24.75 H29.25 F1.5 N3 O5.62 -","- C24.75 H29.25 F1.5 N3 O5.61825 -","- C198 H234 F12 N24 O44.946 -","8","1.33333","","Kallemeyn, Jeffrey M.; Engstrom, Kenneth M.; Pelc, Matthew J.; Lukin, Kirill A.; Morrill, Westin H.; Wei, Haojuan; Towne, Timothy B.; Henle, Jeremy; Nere, Nandkishor K.; Welch, Dennie S.; Shekhar, Shashank; Ravn, Matthew M.; Zhao, Gang; Fickes, Michael G.; Ding, Chen; Vinci, John C.; Marren, James; Cink, Russell D.","Development of a Large-Scale Route to Glecaprevir: Synthesis of the Macrocycle via Intramolecular Etherification","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00244","","","0.71073","MoKα","","0.1344","0.0585","","","0.0593","0.0691","","","","","","1.072","","","","has coordinates,has disorder","254632","2020-10-21","18:00:00",""
"1558670","8.6196","0.0007","10.2451","0.0007","12.2006","0.0008","106.432","0.004","94.759","0.004","90.868","0.004","1029.01","0.13","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H33 F2 N O4 -","- C20 H33 F2 N O4 -","- C40 H66 F4 N2 O8 -","2","2","","Hill, David R.; Abrahamson, Michael J.; Lukin, Kirill A.; Towne, Timothy B.; Engstrom, Kenneth M.; Reddy, Rajarathnam E.; Kielbus, Angelica B.; Pelc, Matthew J.; Mei, Jianzhang; Nere, Nandkishor K.; Chen, Shuang; Henry, Rodger; Chemburkar, Sanjay; Ding, Chen; Zhang, Hongqiang; Cink, Russell D.","Development of a Large-Scale Route to Glecaprevir: Synthesis of the Side Chain and Final Assembly","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00245","","","1.54178","CuKα","","0.0796","0.0493","","","0.1142","0.1285","","","","","","1.05","","","","has coordinates,has disorder","254633","2020-10-21","18:00:00",""
"1558671","9.4358","0.0006","10.0861","0.0006","11.3101","0.0007","94.68","0.003","91.031","0.003","97.524","0.004","1063.11","0.11","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H33 F2 N O4 -","- C20 H33 F2 N O4 -","- C40 H66 F4 N2 O8 -","2","2","","Hill, David R.; Abrahamson, Michael J.; Lukin, Kirill A.; Towne, Timothy B.; Engstrom, Kenneth M.; Reddy, Rajarathnam E.; Kielbus, Angelica B.; Pelc, Matthew J.; Mei, Jianzhang; Nere, Nandkishor K.; Chen, Shuang; Henry, Rodger; Chemburkar, Sanjay; Ding, Chen; Zhang, Hongqiang; Cink, Russell D.","Development of a Large-Scale Route to Glecaprevir: Synthesis of the Side Chain and Final Assembly","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00245","","","1.54178","CuKα","","0.1154","0.0723","","","0.1777","0.2225","","","","","","1.15","","","","has coordinates","254634","2020-10-21","18:00:00",""
"1558672","8.6295","0.0005","10.2499","0.0005","12.1993","0.0007","106.366","0.003","94.675","0.003","90.873","0.003","1031.06","0.1","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H33 F2 N O4 -","- C20 H33 F2 N O4 -","- C40 H66 F4 N2 O8 -","2","2","","Hill, David R.; Abrahamson, Michael J.; Lukin, Kirill A.; Towne, Timothy B.; Engstrom, Kenneth M.; Reddy, Rajarathnam E.; Kielbus, Angelica B.; Pelc, Matthew J.; Mei, Jianzhang; Nere, Nandkishor K.; Chen, Shuang; Henry, Rodger; Chemburkar, Sanjay; Ding, Chen; Zhang, Hongqiang; Cink, Russell D.","Development of a Large-Scale Route to Glecaprevir: Synthesis of the Side Chain and Final Assembly","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00245","","","1.54178","CuKα","","0.045","0.0376","","","0.083","0.0866","","","","","","1.094","","","","has coordinates,has disorder","254635","2020-10-21","18:00:00",""
"1558673","7.9704","0.0015","5.7466","0.001","36.314","0.007","90","","95.924","0.004","90","","1654.4","0.5","150","","150","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 -","- C25 H18 -","- C100 H72 -","4","1","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.0636","0.0524","","","0.1228","0.1309","","","","","","1.065","","","","has coordinates","254636","2020-10-21","18:00:00",""
"1558674","9.362","0.003","9.511","0.002","20.202","0.005","90","","99.403","0.011","90","","1774.7","0.8","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 O2 S -","- C24 H16 O2 S -","- C96 H64 O8 S4 -","4","1","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.124","0.0814","","","0.142","0.1573","","","","","","1.208","","","","has coordinates","254636","2020-10-21","18:00:00",""
"1558675","10.1221","0.0008","13.8377","0.0011","7.1345","0.0005","90","","91.65","0.002","90","","998.89","0.13","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 O2 S -","- C12 H8 O2 S -","- C48 H32 O8 S4 -","4","0.5","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.0518","0.0454","","","0.1333","0.1401","","","","","","1.088","","","","has coordinates","254636","2020-10-21","18:00:00",""
"1558676","8.3173","0.0013","9.6055","0.0017","13.2","0.002","100.545","0.005","92.275","0.004","90.001","0.005","1035.9","0.3","100","","100","","","","","","","","","2","P -1","-P 1","2","","","","- C60 H52 -","- C60 H52 -","- C60 H52 -","1","0.5","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.1297","0.07","","","0.1705","0.2008","","","","","","1.033","","","","has coordinates,has disorder","254636","2020-10-21","18:00:00",""
"1558677","8.5024","0.0008","11.1377","0.001","26.18","0.002","83.462","0.007","84.924","0.007","89.341","0.007","2453.4","0.4","100","","100","","","","","","","","","2","P -1","-P 1","2","","","","- C31 H30 -","- C31 H30 -","- C124 H120 -","4","2","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.1666","0.0682","","","0.137","0.1792","","","","","","0.994","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1558678","21.5488","0.0014","21.5488","0.0014","9.6725","0.0006","90","","90","","90","","4491.4","0.5","100","","100","","","","","","","","","2","I 41/a :2","-I 4ad","88","","","","- C15 H14 -","- C15 H14 -","- C240 H224 -","16","1","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.0671","0.0478","","","0.118","0.1338","","","","","","1.049","","","","has coordinates","254636","2020-10-21","18:00:00",""
"1558679","7.3833","0.0013","8.4946","0.0016","15.02","0.003","94.371","0.005","93.59","0.006","90.853","0.005","937.3","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H14 O4 S2 -","- C24 H14 O4 S2 -","- C48 H28 O8 S4 -","2","1","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.1041","0.0653","","","0.1639","0.1804","","","","","","1.057","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1558680","15.642","0.005","17.335","0.003","18.046","0.003","90","","98.641","0.005","90","","4837.7","1.9","150","","150","","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C30 H28 O2 S -","- C30 H28 O2 S -","- C240 H224 O16 S8 -","8","2","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.1178","0.0883","","","0.1966","0.2131","","","","","","1.046","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1558681","19.5956","0.0005","22.8016","0.0004","16.5804","0.0004","90","","109.79","0.003","90","","6970.8","0.3","298","2","298","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C45 H38 -","- C45 H38 -","- C360 H304 -","8","2","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.71073","MoKα","","0.168","0.0955","","","0.2331","0.2548","","","","","","1.572","","","","has coordinates,has disorder","254636","2020-10-21","18:00:00",""
"1558682","7.6704","0.0019","16.878","0.003","23.693","0.005","71.258","0.016","84.16","0.02","78.786","0.018","2846.7","1.1","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H20 O6 S3 -","- C36 H20 O6 S3 -","- C144 H80 O24 S12 -","4","2","","Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew","Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water","Chemical Science","2020","","","","","10.1039/D0SC02675A","","x-ray","0.6889","","","0.1546","0.0854","","","0.2218","0.2427","","","","","","0.945","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1558683","5.4118","0.0001","15.0266","0.0002","15.9498","0.0003","91.13","0.001","96.791","0.001","92.639","0.001","1286.17","0.04","170","2","170.01","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N6 Ni O2 -","- C32 H24 N6 Ni O2 -","- C64 H48 N12 Ni2 O4 -","2","1","","Li, Yanqing; Zhang, Hu; Xiao, Ru; Cai, Zhengguo","Bis(N-acylated imidazolin-2-imine) nickel catalyzed norbornene copolymerization with methyl acrylate","Polymer Chemistry","2020","11","34","5542","5547","10.1039/D0PY00857E","","","1.34139","GaKα","","0.042","0.0335","","","0.0809","0.0859","","","","","","1.023","","","","has coordinates","257953","2020-10-21","18:00:00",""
"1558684","6.3174","0.0002","10.7495","0.0003","12.7292","0.0004","74.886","0.002","79.406","0.002","89.242","0.002","819.75","0.04","170","2","170.03","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H44 N6 Ni O2 -","- C40 H44 N6 Ni O2 -","- C40 H44 N6 Ni O2 -","1","0.5","","Li, Yanqing; Zhang, Hu; Xiao, Ru; Cai, Zhengguo","Bis(N-acylated imidazolin-2-imine) nickel catalyzed norbornene copolymerization with methyl acrylate","Polymer Chemistry","2020","11","34","5542","5547","10.1039/D0PY00857E","","","1.34139","GaKα","","0.052","0.0434","","","0.1223","0.1374","","","","","","1.037","","","","has coordinates","257953","2020-10-21","18:00:00",""
"1558685","9.8938","0.0018","19.286","0.003","10.6047","0.0019","90","","116.982","0.013","90","","1803.2","0.6","170","2","169.98","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H32 N6 Ni O2 -","- C44 H32 N6 Ni O2 -","- C88 H64 N12 Ni2 O4 -","2","1","","Li, Yanqing; Zhang, Hu; Xiao, Ru; Cai, Zhengguo","Bis(N-acylated imidazolin-2-imine) nickel catalyzed norbornene copolymerization with methyl acrylate","Polymer Chemistry","2020","11","34","5542","5547","10.1039/D0PY00857E","","","1.34139","GaKα","","0.129","0.0666","","","0.153","0.1858","","","","","","0.921","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1558686","11.1027","0.0002","12.8123","0.0002","16.5909","0.0003","68.334","0.001","89.593","0.001","74.963","0.001","2107.87","0.07","170","2","170.02","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H52 N6 Ni O2 -","- C52 H52 N6 Ni O2 -","- C104 H104 N12 Ni2 O4 -","2","1","","Li, Yanqing; Zhang, Hu; Xiao, Ru; Cai, Zhengguo","Bis(N-acylated imidazolin-2-imine) nickel catalyzed norbornene copolymerization with methyl acrylate","Polymer Chemistry","2020","11","34","5542","5547","10.1039/D0PY00857E","","","1.34139","GaKα","","0.0424","0.0367","","","0.0985","0.1022","","","","","","1.068","","","","has coordinates","257953","2020-10-21","18:00:00",""
"1558687","13.1494","0.001","9.6899","0.0006","14.8185","0.0013","90","","113.295","0.006","90","","1734.2","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2<i>H</i>-xanthene-9-carboxylate","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","GG4005","Detert, Heiner; Kluge, Laura; Schollmeyer, Dieter","Methyl 3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2<i>H</i>-xanthene-9-carboxylate","IUCrData","2020","5","7","x201018","","10.1107/S2414314620010184","","","0.71073","MoKα","","0.1134","0.0719","","","0.1551","0.1845","","","","","","1.048","","","","has coordinates,has Fobs","254647","2020-10-21","18:00:00",""
"1558688","6.1778","0.0003","7.77","0.0004","14.8862","0.0007","90","","95.935","0.004","90","","710.73","0.06","100.02","0.11","100.02","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diamminebis(1,2-dicyanoethene-1,2-dithiolato)platinum(IV)","","- C8 H6 N6 Pt S4 -","- C8 H6 N6 Pt S4 -","- C16 H12 N12 Pt2 S8 -","2","0.5","BV4032","Siddiqui, Mahaa J.; Nesterov, Volodymyr V.; Steidle, Matthew T.; Smucker, Bradley W.","<i>trans</i>-Diamminebis(1,2-dicyanoethene-1,2-dithiolato)platinum(IV)","IUCrData","2020","5","7","x200980","","10.1107/S2414314620009803","","x-ray","0.71073","MoKα","","0.0202","0.0168","","","0.0373","0.0383","","","","","","1.046","","","","has coordinates,has Fobs","254648","2020-10-21","18:00:00",""
"1558689","10.9445","0.0009","7.3353","0.0006","23.495","0.002","90","","96.25","0.004","90","","1875","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[(2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl)-1H-1,2,3-triazol-4-yl]-methyl 16-oxo-ent-beyran-19-oat","","- C37 H51 N3 O12 -","- C37 H51 N3 O12 -","- C74 H102 N6 O24 -","2","1","","Andreeva, Olga V.; Garifullin, Bulat F.; Sharipova, Radmila R.; Strobykina, Irina Yu.; Sapunova, Anastasiya S.; Voloshina, Alexandra D.; Belenok, Mayya G.; Dobrynin, Alexey B.; Khabibulina, Leysan R.; Kataev, Vladimir E.","Glycosides and Glycoconjugates of the Diterpenoid Isosteviol with a 1,2,3-Triazolyl Moiety: Synthesis and Cytotoxicity Evaluation","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00134","","","0.71073","MoKα","","0.0763","0.0509","","","0.1144","0.1301","","","","","","0.893","","","","has coordinates","254656","2020-10-21","18:00:00",""
"1558690","11.5347","0.0019","8.1076","0.0014","11.9342","0.0016","90","","112.133","0.008","90","","1033.8","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H35 N3 O2 -","- C22 H35 N3 O2 -","- C44 H70 N6 O4 -","2","1","","Andreeva, Olga V.; Garifullin, Bulat F.; Sharipova, Radmila R.; Strobykina, Irina Yu.; Sapunova, Anastasiya S.; Voloshina, Alexandra D.; Belenok, Mayya G.; Dobrynin, Alexey B.; Khabibulina, Leysan R.; Kataev, Vladimir E.","Glycosides and Glycoconjugates of the Diterpenoid Isosteviol with a 1,2,3-Triazolyl Moiety: Synthesis and Cytotoxicity Evaluation","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00134","","","0.71073","MoKα","","0.2465","0.0874","","","0.1016","0.1432","","","","","","0.992","","","","has coordinates","254657","2020-10-21","18:00:00",""
"1558691","9.5202","0.0018","14.868","0.003","10.981","0.002","90","","113.499","0.004","90","","1425.4","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H38 N2 O4 S2 -","- C30 H38 N2 O4 S2 -","- C60 H76 N4 O8 S4 -","2","1","","Walia, Manish; Teijaro, Christiana N.; Gardner, Alex; Tran, Thi; Kang, Jinfeng; Zhao, Senzhi; O’Connor, Sarah E.; Courdavault, Vincent; Andrade, Rodrigo B.","Synthesis of (−)-Melodinine K: A Case Study of Efficiency in Natural Product Synthesis","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00310","","","0.71073","MoKα","","0.0465","0.0367","","","0.0794","0.0825","","","","","","0.979","","","","has coordinates","254658","2020-10-21","18:00:00",""
"1558692","9.521","0.0011","19.764","0.002","10.8022","0.0012","90","","103.759","0.012","90","","1974.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N4 O3 -","- C22 H22 N4 O3 -","- C88 H88 N16 O12 -","4","1","","Mondal, Surajit; Patra, Niladri; Nayek, Hari Pada; Hira, Sumit K.; Chatterjee, Soumit; Dey, Swapan","Unusual absence of FRET in triazole bridged coumarin-hydroxyquinoline, an active sensor for Hg2+ detection.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","9","1211","1221","10.1039/d0pp00140f","","","0.71073","MoKα","","0.0998","0.0546","","","0.1366","0.1536","","","","","","1.18","","","","has coordinates","257928","2020-10-21","18:00:00",""
"1558693","9.6779","0.0008","10.4548","0.001","12.1262","0.001","112.874","0.009","91.882","0.007","103.594","0.007","1088.16","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N5 O3 -","- C25 H23 N5 O3 -","- C50 H46 N10 O6 -","2","1","","Mondal, Surajit; Patra, Niladri; Nayek, Hari Pada; Hira, Sumit K.; Chatterjee, Soumit; Dey, Swapan","Unusual absence of FRET in triazole bridged coumarin-hydroxyquinoline, an active sensor for Hg2+ detection.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","9","1211","1221","10.1039/d0pp00140f","","","0.71073","MoKα","","0.0977","0.0513","","","0.1163","0.1334","","","","","","0.994","","","","has coordinates","257928","2020-10-21","18:00:00",""
"1558694","9.5658","0.0008","10.6286","0.0015","12.2495","0.0015","113.08","0.012","91.151","0.008","103.715","0.009","1104.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N4 O3 -","- C26 H24 N4 O3 -","- C52 H48 N8 O6 -","2","1","","Mondal, Surajit; Patra, Niladri; Nayek, Hari Pada; Hira, Sumit K.; Chatterjee, Soumit; Dey, Swapan","Unusual absence of FRET in triazole bridged coumarin-hydroxyquinoline, an active sensor for Hg2+ detection.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","9","1211","1221","10.1039/d0pp00140f","","","0.71073","MoKα","","0.1137","0.0536","","","0.1144","0.1387","","","","","","1.027","","","","has coordinates","257928","2020-10-21","18:00:00",""
"1558695","6.7054","0.0001","40.6996","0.0009","12.4989","0.0003","90","","93.864","0.002","90","","3403.28","0.12","100","0.12","100","0.12","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H60 Br1.24 Cl0.76 N2 O -","- C33 H60 Br1.241 Cl0.759 N2 O -","- C132 H240 Br4.964 Cl3.036 N8 O4 -","4","1","","Chen, Xi; Spiering, Glenn A.; Slebodnick, Carla; Long, Timothy E.; Moore, Robert B.","Deciphering the 3D Microstructures of a Doubly Charged Homopolymer through a Complementary Correlation of Monomer Crystallography and Polymer Powder X-ray Diffraction","Macromolecules","2020","","","","","10.1021/acs.macromol.0c01270","","x-ray","1.54184","CuKα","","0.0584","0.0511","","","0.1308","0.1354","","","","","","1.052","","","","has coordinates,has disorder","254687","2020-10-21","18:00:00",""
"1558696","10.1037","0.0006","11.6662","0.0007","23.623","0.0015","90","","97.789","0.002","90","","2758.8","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 Cl Ir N -","- C30 H47 Cl Ir N -","- C120 H188 Cl4 Ir4 N4 -","4","1","","Zhang, Dejin; Yang, Guoqiang; Zhao, Yue; Shao, Shouyan; Zhu, Guisheng; Liu, Peijun; Liu, Jia; Hu, Xingbang; Zhang, Zhibing","Efficient methanol carbonylation to methyl acetate catalyzed by a cyclic(alkyl)(amino)carbene iridium complex","Catalysis Science & Technology","2020","10","17","6045","6049","10.1039/D0CY00054J","","","1.34139","GaKα","","0.0487","0.0461","","","0.1211","0.1231","","","","","","1.146","","","","has coordinates","257213","2020-10-21","18:00:00",""
"1558697","9.4294","0.0003","15.2306","0.0004","16.4958","0.0005","90","","94.904","0.001","90","","2360.38","0.12","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H35 Cl I0 Ir N O2 -","- C24 H35 Cl Ir N O2 -","- C96 H140 Cl4 Ir4 N4 O8 -","4","1","","Zhang, Dejin; Yang, Guoqiang; Zhao, Yue; Shao, Shouyan; Zhu, Guisheng; Liu, Peijun; Liu, Jia; Hu, Xingbang; Zhang, Zhibing","Efficient methanol carbonylation to methyl acetate catalyzed by a cyclic(alkyl)(amino)carbene iridium complex","Catalysis Science & Technology","2020","10","17","6045","6049","10.1039/D0CY00054J","","","0.71073","MoKα","","0.0245","0.0198","","","0.0469","0.049","","","","","","0.969","","","","has coordinates","257213","2020-10-21","18:00:00",""
"1558698","26.038","0.003","26.038","0.003","7.7843","0.001","90","","90","","120","","4570.5","0.9","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1054","0.0785","","0.2639","0.2168","0.2639","","","","","","0.9777","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558699","26.025","0.002","26.025","0.002","7.7498","0.0007","90","","90","","120","","4545.7","0.6","293","","293","","","","960000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1035","0.0823","","0.2525","0.2171","0.2525","","","","","","1.0556","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558700","26.453","0.002","26.453","0.002","7.7499","0.0006","90","","90","","120","","4696.5","0.6","293","","293","","","","520000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0955","0.0669","","0.1662","0.1275","0.1655","","","","","","1.0712","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558701","25.4451","0.0017","25.4451","0.0017","7.7312","0.0005","90","","90","","120","","4335","0.5","293","","293","","","","1570000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0809","0.0608","","0.2098","0.1666","0.2098","","","","","","0.9937","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558702","25.1855","0.0018","25.1855","0.0018","7.73","0.0006","90","","90","","120","","4246.3","0.5","293","","293","","","","2150000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.4859","?","","0.1126","0.0631","","0.1913","0.1298","0.1913","","","","","","1.0343","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558703","24.8906","0.0016","24.8906","0.0016","7.757","0.0005","90","","90","","120","","4161.9","0.5","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1138","0.0802","","0.1519","0.1257","0.1517","","","","","","1.0283","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558704","26.594","0.003","26.594","0.003","7.7475","0.0009","90","","90","","120","","4745.3","0.9","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0609","0.0452","","0.0833","0.075","0.0833","","","","","","0.9899","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558705","49.169","0.003","49.169","0.003","7.7897","0.0005","90","","90","","120","","16309.3","1.8","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H32 Cu2 N4 O8 -","- C36 H32 Cu2 N4 O8 -","- C648 H576 Cu36 N72 O144 -","18","1","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.2815","0.1966","","0.4126","0.2282","0.2282","","","","","","1.2142","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558706","26.44","0.0006","26.44","0.0006","7.8045","0.0002","90","","90","","120","","4724.97","0.19","293","","293","","","","70000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1011","0.0701","","0.1693","0.1481","0.1693","","","","","","1","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558707","26.3304","0.0007","26.3304","0.0007","7.7955","0.0002","90","","90","","120","","4680.5","0.2","293","","293","","","","140000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0949","0.0701","","0.1753","0.151","0.1753","","","","","","1.0493","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558708","25.342","0.002","25.342","0.002","7.7011","0.0005","90","","90","","120","","4283.2","0.6","293","","293","","","","1270000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1318","0.0871","","0.2454","0.1924","0.2454","","","","","","1.0094","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558709","26.0243","0.0005","26.0243","0.0005","7.7622","0.0002","90","","90","","120","","4552.75","0.17","293","","293","","","","330000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1366","0.0888","","0.1873","0.1667","0.1873","","","","","","1.1468","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558710","25.4689","0.0016","25.4689","0.0016","7.7069","0.0006","90","","90","","120","","4329.4","0.5","293","","293","","","","880000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1688","0.1229","","0.3484","0.2935","0.3484","","","","","","0.9832","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558711","26.62","0.0012","26.62","0.0012","7.7505","0.0004","90","","90","","120","","4756.4","0.4","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0733","0.055","","0.1656","0.1503","0.1656","","","","","","1.1296","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558712","25.7864","0.0008","25.7864","0.0008","7.7459","0.0003","90","","90","","120","","4460.5","0.3","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0694","0.0514","","0.1613","0.1467","0.1613","","","","","","1.0139","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558713","25.2568","0.0011","25.2568","0.0011","7.7047","0.0004","90","","90","","120","","4256.4","0.3","293","","293","","","","1560000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.138","0.0964","","0.2634","0.2125","0.2634","","","","","","1.035","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558714","26.1591","0.0014","26.1591","0.0014","7.7544","0.0005","90","","90","","120","","4595.4","0.5","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0744","0.0559","","0.1817","0.1579","0.1817","","","","","","0.9837","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558715","25.3023","0.0007","25.3023","0.0007","7.7337","0.0003","90","","90","","120","","4287.8","0.2","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0576","0.0459","","0.1211","0.1112","0.1211","","","","","","0.8986","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558716","7.7799","0.0003","15.1586","0.0009","15.4901","0.0009","116.604","0.006","100.395","0.004","98.422","0.004","1551.99","0.18","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H58 Cu3 N6 O13 -","- C58 H58 Cu3 N6 O13 -","- C58 H58 Cu3 N6 O13 -","1","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","x-ray","1.54184","CuKα","","0.0808","0.061","","","0.1809","0.1977","","","","","","1.007","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558717","25.4345","0.0008","25.4345","0.0008","7.7363","0.0003","90","","90","","120","","4334.2","0.3","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0574","0.0442","","0.1047","0.0978","0.1047","","","","","","0.9951","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558718","25.6002","0.0012","25.6002","0.0012","7.7386","0.0004","90","","90","","120","","4392.2","0.4","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0766","0.0622","","0.2222","0.2005","0.2222","","","","","","1.1201","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558719","9.449","0.001","19.372","0.0018","21.3178","0.0019","90","","97.644","0.007","90","","3867.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 F6 N2 O3 -","- C19 H16 F6 N2 O3 -","- C152 H128 F48 N16 O24 -","8","2","","Hassan, Muhammad Murtaza; Israelian, Johan; Nawar, Nabanita; Ganda, Giovanni; Manaswiyoungkul, Pimyupa; Raouf, Yasir; Armstrong, David; Sedighi, Abootaleb; Olaoye, Olasunkanmi O.; Erdogan, Fettah; Cabral, Aaron D.; Angeles, Fabrizio; Altintas, Rabia; de Araujo, Elvin D.; Gunning, Patrick Thomas","Characterization of Conformationally Constrained Benzanilide Scaffolds for Potent and Selective HDAC8 Targeting.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.0c01025","","","1.54178","CuKα","","0.2092","0.1136","","","0.267","0.3501","","","","","","0.964","","","","has coordinates","254706","2020-10-21","18:00:00",""
"1558720","21.4182","0.0005","22.3478","0.0005","9.3093","0.0002","90","","90","","90","","4455.89","0.17","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C176 H208 N16 O24 -","8","1","","Hassan, Muhammad Murtaza; Israelian, Johan; Nawar, Nabanita; Ganda, Giovanni; Manaswiyoungkul, Pimyupa; Raouf, Yasir; Armstrong, David; Sedighi, Abootaleb; Olaoye, Olasunkanmi O.; Erdogan, Fettah; Cabral, Aaron D.; Angeles, Fabrizio; Altintas, Rabia; de Araujo, Elvin D.; Gunning, Patrick Thomas","Characterization of Conformationally Constrained Benzanilide Scaffolds for Potent and Selective HDAC8 Targeting.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.0c01025","","","1.54178","CuKα","","0.0686","0.0576","","","0.1313","0.1379","","","","","","1.111","","","","has coordinates","254707","2020-10-21","18:00:00",""
"1558721","11.282","0.006","15.881","0.007","11.591","0.006","90","","111.756","0.012","90","","1928.8","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C84 H92 N4 O16 S4 -","4","1","","Berton, Cesare; Busiello, Daniel Maria; Zamuner, Stefano; Solari, Euro; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay; Pezzato, Cristian","Thermodynamics and kinetics of protonated merocyanine photoacids in water","Chemical Science","2020","","","","","10.1039/D0SC03152F","","","0.71073","MoKα","","0.1508","0.0748","","","0.1676","0.21","","","","","","0.958","","","","has coordinates","254716","2020-10-21","18:00:00",""
"1558722","8.33916","0.00006","19.51555","0.00015","11.56961","0.00009","90","","102.22","0.0008","90","","1840.22","0.02","140","0.1","140","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C80 H84 N4 O16 S4 -","4","1","","Berton, Cesare; Busiello, Daniel Maria; Zamuner, Stefano; Solari, Euro; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay; Pezzato, Cristian","Thermodynamics and kinetics of protonated merocyanine photoacids in water","Chemical Science","2020","","","","","10.1039/D0SC03152F","","x-ray","1.54184","CuKα","","0.0303","0.0298","","","0.0763","0.0769","","","","","","1.052","","","","has coordinates","254716","2020-10-21","18:00:00",""
"1558723","17.1075","0.0003","6.98646","0.0001","19.6635","0.0002","90","","90","","90","","2350.2","0.06","139.99","0.1","139.99","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H25 N O4 S -","- C22 H25 N O4 S -","- C88 H100 N4 O16 S4 -","4","1","","Berton, Cesare; Busiello, Daniel Maria; Zamuner, Stefano; Solari, Euro; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay; Pezzato, Cristian","Thermodynamics and kinetics of protonated merocyanine photoacids in water","Chemical Science","2020","","","","","10.1039/D0SC03152F","","x-ray","1.54184","CuKα","","0.0307","0.0302","","","0.0827","0.0832","","","","","","1.037","","","","has coordinates","254716","2020-10-21","18:00:00",""
"1558724","9.8726","0.0004","15.8054","0.0007","11.8345","0.0004","90","","94.679","0.001","90","","1840.51","0.13","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(2,2-Dioxo-3,4-dihydrobenzo[<i>e</i>][1,2,3]oxathiazin-4-yl)-3-fluoro-1-phenylindolin-2-one","","- C21 H15 F N2 O4 S -","- C21 H15 F N2 O4 S -","- C84 H60 F4 N8 O16 S4 -","4","1","BT4093","Wu, Mei-Fang; Chen, Ling-Yan; Li, Ya","3-(2,2-Dioxo-3,4-dihydrobenzo[<i>e</i>][1,2,3]oxathiazin-4-yl)-3-fluoro-1-phenylindolin-2-one","IUCrData","2020","5","7","x201028","","10.1107/S2414314620010287","","","0.71073","MoKα","","0.0711","0.0439","","","0.0928","0.1098","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","254734","2020-10-21","18:00:00",""
"1558725","8.515","0.002","8.515","0.002","5.192","0.001","90","","90","","120","","326.01","0.13","","","298","","","","100","","","","","5","P 3 2 1","P 3 2""","150","Ba3TaGa3Si2O14","","","- Ba3 Ga3 O14 Si2 Ta -","- Ba3 Ga3 O14 Si2 Ta -","- Ba3 Ga3 O14 Si2 Ta -","1","0.166667","","Usui, H.; Kusakabe, H.; Tokuda, M.; Sugiyama, K.; Hoshina, T.; Tsurumi, T.; Takeda, H.","Structure and electrical properties of Ba3TaGa3Si2O14 single crystals grown by Czochralski method","Journal of the Ceramic Society of Japan","2020","128","","441","446","10.2109/jcersj2.20016","","","","","","","","","","","","","","","","","","","","","has coordinates","254740","2020-10-21","18:00:00",""
"1558726","5.352","0.005","5.355","0.006","12.632","0.001","90","","90","","90","","362","0.5","","","373","","","","100","","","","","4","A m m m","-A 2 2","65","La1.24Li0.57Li0.5Co0.5O3.15 at 100 C","","","- Co0.5 La1.24 Li1.07 O3.15 -","- Co0.5 La1.24 Li1.07 O3.11 -","- Co2 La4.96 Li4.28 O12.44 -","4","0.25","","Takami, T.; Ishikawa, Y.; Yonemura, M.; Fukunaga, T.; Matsubara, E.; Abe, T.","Crystal structure, ionic conductivity and lithium-ion diffusion pathway in a La-Li-Co-O system","Journal of the Ceramic Society of Japan","2020","128","","453","456","10.2109/jcersj2.19233","","","","","","","","","","","","","","","","","","","","","has coordinates","254741","2020-10-21","18:00:00",""
"1558727","12.562","0.005","10.663","0.005","21.857","0.005","90","0.005","93.762","0.005","90","0.005","2921.4","1.9","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 Br3 Fe3 -","- C36 H27 Br3 Fe3 -","- C144 H108 Br12 Fe12 -","4","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0737","0.055","","","0.1371","0.1544","","","","","","1.034","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558728","12.1916","0.0006","13.1108","0.0006","18.3274","0.0007","83.468","0.004","78.135","0.004","80.466","0.004","2817.6","0.2","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H52 Fe3 P3 -","- C72 H52 Fe3 P3 -","- C144 H104 Fe6 P6 -","2","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.107","0.0555","","","0.0982","0.1152","","","","","","0.979","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558729","14.0078","0.0004","19.3202","0.0005","12.2848","0.0004","90","","115.926","0.004","90","","2990.08","0.18","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Br3 F3 Fe3 -","- C36 H24 Br3 F3 Fe3 -","- C144 H96 Br12 F12 Fe12 -","4","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0508","0.0327","","","0.0612","0.0683","","","","","","1.053","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558730","15.619","0.0005","14.0809","0.0005","14.7566","0.0006","90","","98.42","0.003","90","","3210.4","0.2","130","2","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 Br3 Fe3 -","- C39 H33 Br3 Fe3 -","- C156 H132 Br12 Fe12 -","4","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.061","0.0405","","","0.0908","0.1017","","","","","","1.035","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558731","7.7184","0.0002","32.9287","0.0007","12.6304","0.0003","90","","93.703","0.002","90","","3203.4","0.13","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H33 Br3 Fe3 -","- C39 H33 Br3 Fe3 -","- C156 H132 Br12 Fe12 -","4","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0834","0.046","","","0.0666","0.0762","","","","","","1.008","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558732","10.2357","0.0005","16.1124","0.0006","19.2961","0.0007","102.741","0.003","96.159","0.003","93.096","0.003","3076.2","0.2","130","","130","","","","","","","","","6","P -1","-P 1","2","","","","- C76.68 H66.82 Cl Fe3 O0 P3 -","- C76.675 H66.82 Cl Fe3 P3 -","- C153.35 H133.64 Cl2 Fe6 P6 -","2","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0624","0.0406","","","0.0829","0.0911","","","","","","1.015","","","","has coordinates,has disorder","254751","2020-10-21","18:00:00",""
"1558733","9.8526","0.0004","10.9313","0.0004","18.774","0.0012","92.519","0.004","103.594","0.005","95.61","0.003","1951.25","0.17","130","","130","","","","","","","","","7","P 1","P 1","1","","","","- C70 H55 Au3 Cl6 Fe3 N3 P3 -","- C70 H55 Au3 Cl6 Fe3 N3 P3 -","- C70 H55 Au3 Cl6 Fe3 N3 P3 -","1","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0843","0.0675","","","0.1551","0.1667","","","","","","1.003","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558734","15.7205","0.0003","7.4429","0.0002","20.7347","0.0005","90","","100.647","0.002","90","","2384.32","0.1","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Br2 Fe3 -","- C30 H24 Br2 Fe3 -","- C120 H96 Br8 Fe12 -","4","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0649","0.041","","","0.0775","0.0869","","","","","","1.006","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558735","11.5217","0.0003","11.6762","0.0003","23.9327","0.0007","76.369","0.002","88.688","0.002","69.101","0.003","2916.48","0.15","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C69.1 H60.25 Br4 Cl2.25 Fe5 -","- C69.125 H60.25 Br4 Cl2.25 Fe5 -","- C138.25 H120.5 Br8 Cl4.5 Fe10 -","2","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0791","0.0404","","","0.0776","0.0824","","","","","","0.861","","","","has coordinates,has disorder","254751","2020-10-21","18:00:00",""
"1558736","17.244","0.0003","17.244","0.0003","33.5908","0.001","90","","90","","120","","8650.2","0.3","130","","130","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C72 H66 B3 Fe3 P3 -","- C72 H66 B3 Fe3 P3 -","- C432 H396 B18 Fe18 P18 -","6","0.333333","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0518","0.0432","","","0.089","0.0931","","","","","","1.05","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558737","10.8725","0.0002","7.3697","0.0001","57.2078","0.0013","90","","94.432","0.002","90","","4570.19","0.15","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Br3 F3 Fe2 -","- C26 H16 Br3 F3 Fe2 -","- C208 H128 Br24 F24 Fe16 -","8","2","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0735","0.064","","","0.113","0.1161","","","","","","1.244","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1558738","19.44","0.0003","25.6696","0.0005","35.2564","0.0007","103.677","0.002","96.218","0.002","108.488","0.002","15888.5","0.6","130","2","130","2","","","","","","","","9","P -1","-P 1","2","","","","- C247 H128 Al6 Au6 Cl13 F216 Fe6 O24 P6 -","- C215 H128 Al4 Au6 Cl13 F144 Fe6 O16 P6 -","- C430 H256 Al8 Au12 Cl26 F288 Fe12 O32 P12 -","2","1","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.1705","0.0912","","","0.2241","0.277","","","","","","1.027","","","","has coordinates,has disorder","254751","2020-10-21","18:00:00",""
"1558739","19.2673","0.001","23.5145","0.001","35.6971","0.0018","90","","92.434","0.003","90","","16158.4","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C172 H152 Co9 N17 P6 Se8 -","- C172 H152 Co9 N17 P6 Se8 -","- C688 H608 Co36 N68 P24 Se32 -","4","1","","Kephart, Jonathan; Romero, Catherine G.; Tseng, Chun-Chih; Anderton, Kevin J.; Yankowitz, Matthew; Kaminsky, Werner; Velian, Alexandra","Hierarchical Nanosheets Built from Superatomic Clusters: Properties, Exfoliation and Single-Crystal-to-Single-Crystal Intercalation","Chemical Science","2020","","","","","10.1039/D0SC03506H","","x-ray","0.71073","MoKα","","0.3094","0.1854","","","0.3438","0.3969","","","","","","1.087","","","","has coordinates,has disorder","254752","2020-10-21","18:00:00",""
"1558740","15.3355","0.0014","17.8362","0.0017","29.564","0.003","87.013","0.006","87.701","0.005","82.9","0.005","8009","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H117 Co9 N9 P6 Se8 -","- C132 H117 Co9 N9 P6 Se8 -","- C264 H234 Co18 N18 P12 Se16 -","2","1","","Kephart, Jonathan; Romero, Catherine G.; Tseng, Chun-Chih; Anderton, Kevin J.; Yankowitz, Matthew; Kaminsky, Werner; Velian, Alexandra","Hierarchical Nanosheets Built from Superatomic Clusters: Properties, Exfoliation and Single-Crystal-to-Single-Crystal Intercalation","Chemical Science","2020","","","","","10.1039/D0SC03506H","","x-ray","0.71073","MoKα","","0.2913","0.0856","","","0.1839","0.238","","","","","","0.803","","","","has coordinates,has disorder","254752","2020-10-21","18:00:00",""
"1558741","30.1353","0.0008","15.1296","0.0005","33.4288","0.001","90","","116.579","0.001","90","","13630.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C129 H117 Co9 N9 P6 Se8 -","- C129 H117 Co9 N9 P6 Se8 -","- C516 H468 Co36 N36 P24 Se32 -","4","1","","Kephart, Jonathan; Romero, Catherine G.; Tseng, Chun-Chih; Anderton, Kevin J.; Yankowitz, Matthew; Kaminsky, Werner; Velian, Alexandra","Hierarchical Nanosheets Built from Superatomic Clusters: Properties, Exfoliation and Single-Crystal-to-Single-Crystal Intercalation","Chemical Science","2020","","","","","10.1039/D0SC03506H","","x-ray","0.71073","MoKα","","0.0589","0.0341","","","0.067","0.0729","","","","","","1.022","","","","has coordinates,has disorder","254752","2020-10-21","18:00:00",""
"1558742","18.3156","0.0016","24.1602","0.0018","35.255","0.003","90","","92.12","0.004","90","","15590","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C132 H120 Co9 N9 P6 Se8 -","- C132 H120 Co9 N9 P6 Se8 -","- C528 H480 Co36 N36 P24 Se32 -","4","1","","Kephart, Jonathan; Romero, Catherine G.; Tseng, Chun-Chih; Anderton, Kevin J.; Yankowitz, Matthew; Kaminsky, Werner; Velian, Alexandra","Hierarchical Nanosheets Built from Superatomic Clusters: Properties, Exfoliation and Single-Crystal-to-Single-Crystal Intercalation","Chemical Science","2020","","","","","10.1039/D0SC03506H","","x-ray","0.71073","MoKα","","0.2844","0.1364","","","0.3424","0.399","","","","","","1.042","","","","has coordinates,has disorder","254752","2020-10-21","18:00:00",""
"1558743","19.0473","0.0013","28.0304","0.0018","30.824","0.003","109.902","0.005","97.084","0.005","102.271","0.004","14774","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C258 H228 Co18 N18 P12 Se16 -","- C258 H228 Co18 N18 P12 Se16 -","- C516 H456 Co36 N36 P24 Se32 -","2","1","","Kephart, Jonathan; Romero, Catherine G.; Tseng, Chun-Chih; Anderton, Kevin J.; Yankowitz, Matthew; Kaminsky, Werner; Velian, Alexandra","Hierarchical Nanosheets Built from Superatomic Clusters: Properties, Exfoliation and Single-Crystal-to-Single-Crystal Intercalation","Chemical Science","2020","","","","","10.1039/D0SC03506H","","x-ray","0.71073","MoKα","","0.4204","0.1683","","","0.3907","0.5253","","","","","","1.116","","","","has coordinates","254752","2020-10-21","18:00:00",""
"1558744","9.4551","0.0013","12.9619","0.0018","13.7159","0.0019","90","","106.971","0.008","90","","1607.8","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O2 S -","- C18 H18 N2 O2 S -","- C72 H72 N8 O8 S4 -","4","1","","Swedin, Rachel; Badgurjar, Deepak; Healy, Andrew; Harkins, Robin; Oehrlein, Amanda; Greenlund, Lindsey; Alshebber, Mohammed; Ripp, Nathan; Anderson, Nathaniel T.; Honzay, Benjamin R.; Pappenfus, Ted M.; Janzen, Daron E.; Blank, David A.; Gladfelter, Wayne L.","Excited State Electron Transfer from Donor−π System‒Acceptor Dyes to ZnO Nanocrystals","The Journal of Physical Chemistry C","2020","124","28","15565","15573","10.1021/acs.jpcc.0c03828","","","0.71075","MoKα","","0.0564","0.042","","","0.0947","0.1014","","","","","","1.041","","","","has coordinates","257153","2020-10-21","18:00:00",""
"1558745","10.072","0.003","10.703","0.004","41.298","0.013","90","","90.973","0.01","90","","4451","3","173","","173","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C23 H31 N3 O4 -","- C23 H31 N3 O4 -","- C184 H248 N24 O32 -","8","1","","Swedin, Rachel; Badgurjar, Deepak; Healy, Andrew; Harkins, Robin; Oehrlein, Amanda; Greenlund, Lindsey; Alshebber, Mohammed; Ripp, Nathan; Anderson, Nathaniel T.; Honzay, Benjamin R.; Pappenfus, Ted M.; Janzen, Daron E.; Blank, David A.; Gladfelter, Wayne L.","Excited State Electron Transfer from Donor−π System‒Acceptor Dyes to ZnO Nanocrystals","The Journal of Physical Chemistry C","2020","124","28","15565","15573","10.1021/acs.jpcc.0c03828","","","0.71075","MoKα","","","0.0698","","","","0.1865","","","","","","0.974","","","","has coordinates","257153","2020-10-21","18:00:00",""
"1558746","6.1494","0.0004","12.1392","0.0009","32.664","0.002","90","","91.559","0.002","90","","2437.4","0.3","299","2","299","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 B Br F2 N4 O -","- C29 H18 B Br F2 N4 O -","- C116 H72 B4 Br4 F8 N16 O4 -","4","1","","Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Paitandi, Rajendra Prasad; Pandey, Daya Shankar","Controlling Aggregation and Excited-State Intramolecular Proton Transfer in BODIPYs by Incorporation of 2-(2-Hydroxyphenyl)quinazoline and Variation of Substituents","The Journal of Physical Chemistry C","2020","124","28","15523","15532","10.1021/acs.jpcc.0c03360","","","0.71073","MoKα","","0.0509","0.0366","","","0.0891","0.096","","","","","","1.023","","","","has coordinates","257154","2020-10-21","18:00:00",""
"1558747","6.8135","0.0007","12.7688","0.0013","15.1104","0.0016","72.734","0.003","81.142","0.003","85.188","0.003","1239.4","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H17 B Br Cl F2 N4 O -","- C29 H17 B Br Cl F2 N4 O -","- C58 H34 B2 Br2 Cl2 F4 N8 O2 -","2","1","","Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Paitandi, Rajendra Prasad; Pandey, Daya Shankar","Controlling Aggregation and Excited-State Intramolecular Proton Transfer in BODIPYs by Incorporation of 2-(2-Hydroxyphenyl)quinazoline and Variation of Substituents","The Journal of Physical Chemistry C","2020","124","28","15523","15532","10.1021/acs.jpcc.0c03360","","","0.71073","MoKα","","0.0655","0.0475","","","0.1296","0.1425","","","","","","1.049","","","","has coordinates","257154","2020-10-21","18:00:00",""
"1558748","6.876","0.004","13.044","0.007","15.177","0.009","72.972","0.016","79.164","0.016","84.313","0.018","1276.9","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H17 B Br F2 N5 O3 -","- C29 H17 B Br F2 N5 O3 -","- C58 H34 B2 Br2 F4 N10 O6 -","2","1","","Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Paitandi, Rajendra Prasad; Pandey, Daya Shankar","Controlling Aggregation and Excited-State Intramolecular Proton Transfer in BODIPYs by Incorporation of 2-(2-Hydroxyphenyl)quinazoline and Variation of Substituents","The Journal of Physical Chemistry C","2020","124","28","15523","15532","10.1021/acs.jpcc.0c03360","","","0.71073","MoKα","","0.0973","0.0646","","","0.1418","0.159","","","","","","1.053","","","","has coordinates,has disorder","257154","2020-10-21","18:00:00",""
"1558749","13.918","0.004","10.44","0.003","17.24","0.005","90","","96.078","0.007","90","","2491","1.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 B Br F2 N4 O -","- C30 H20 B Br F2 N4 O -","- C120 H80 B4 Br4 F8 N16 O4 -","4","1","","Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Paitandi, Rajendra Prasad; Pandey, Daya Shankar","Controlling Aggregation and Excited-State Intramolecular Proton Transfer in BODIPYs by Incorporation of 2-(2-Hydroxyphenyl)quinazoline and Variation of Substituents","The Journal of Physical Chemistry C","2020","124","28","15523","15532","10.1021/acs.jpcc.0c03360","","","0.71073","MoKα","","0.0931","0.0511","","","0.1039","0.1173","","","","","","1.017","","","","has coordinates","257154","2020-10-21","18:00:00",""
"1558750","10.4979","0.0003","12.8949","0.0003","13.082","0.0003","90","","90","","90","","1770.9","0.08","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Zhou, Bin; Ren, Yu-Hao; Han, Ying-Shan; Mesplède, Thibault; Yue, Jian-Min","Diverse Types of Diterpenoids with an Aromatized C Ring from the Twigs of <i>Podocarpus imbricatus</i>.","Journal of natural products","2020","83","8","2416","2424","10.1021/acs.jnatprod.0c00291","","","1.54178","CuKα","","0.035","0.0318","","","0.0888","0.0899","","","","","","1.021","","","","has coordinates","255873","2020-10-21","18:00:00",""
"1558751","7.2623","0.0005","8.3682","0.0006","23.6179","0.0017","81.735","0.002","87.228","0.002","72.334","0.002","1353.41","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H45 B Cl N P Rh -","- C25 H45 B Cl N P Rh -","- C50 H90 B2 Cl2 N2 P2 Rh2 -","2","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0494","0.0355","","","0.0688","0.0733","","","","","","1.029","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558752","13.155","0.004","13.567","0.004","17.3","0.005","90","","95.737","0.013","90","","3072.1","1.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H51 B Cl N P Rh -","- C28 H51 B Cl N P Rh -","- C112 H204 B4 Cl4 N4 P4 Rh4 -","4","2","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0189","0.0185","","","0.0475","0.0477","","","","","","1.037","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558753","18.5","0.003","10.9446","0.0014","16.701","0.005","90","","99.868","0.018","90","","3331.5","1.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H51 B Cl Fe N P Rh -","- C34 H51 B Cl Fe N P Rh -","- C136 H204 B4 Cl4 Fe4 N4 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0189","0.0174","","","0.0434","0.0443","","","","","","1.048","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558754","11.385","0.005","27.454","0.004","12.146","0.002","90","","95.31","0.03","90","","3780.1","1.9","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 B2 Cl N O2 P Rh -","- C36 H58 B2 Cl N O2 P Rh -","- C144 H232 B8 Cl4 N4 O8 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0423","0.0353","","","0.0788","0.083","","","","","","1.057","","","","has coordinates,has disorder","254816","2020-10-21","18:00:00",""
"1558755","8.4198","0.0013","22.107","0.005","15.4","0.003","90","","100.678","0.015","90","","2816.9","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H47 B Cl N P Rh -","- C26 H47 B Cl N P Rh -","- C104 H188 B4 Cl4 N4 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0361","0.0253","","","0.0515","0.055","","","","","","1.015","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558756","17.729","0.007","9.767","0.004","19.228","0.008","90","","115.848","0.01","90","","2996","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H47 B Cl N P Rh -","- C28 H47 B Cl N P Rh -","- C112 H188 B4 Cl4 N4 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0264","0.0224","","","0.0555","0.0588","","","","","","1.064","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558757","14.758","0.004","11.7829","0.0018","19.206","0.007","90","","107.324","0.009","90","","3188.3","1.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 B Cl F3 N P Rh -","- C31 H46 B Cl F3 N P Rh -","- C124 H184 B4 Cl4 F12 N4 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0226","0.0203","","","0.0466","0.0481","","","","","","1.026","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558758","8.3899","0.0014","20.844","0.004","19.12","0.003","90","","93.632","0.011","90","","3337","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 B Cl N2 P Rh -","- C32 H52 B Cl N2 P Rh -","- C128 H208 B4 Cl4 N8 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0277","0.0236","","","0.0583","0.0609","","","","","","1.035","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558759","9.269","0.003","12.103","0.003","20.168","0.007","106.938","0.01","91.473","0.014","96.9","0.013","2144.3","1.2","101","2","101","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H69 B2 Cl N2 P Rh -","- C43 H69 B2 Cl N2 P Rh -","- C86 H138 B4 Cl2 N4 P2 Rh2 -","2","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0236","0.0221","","","0.0549","0.0561","","","","","","1.081","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558760","16.329","0.005","9.07","0.003","13.365","0.003","90","","110.285","0.005","90","","1856.6","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 B N -","- C21 H28 B N -","- C84 H112 B4 N4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0497","0.0451","","","0.1197","0.1248","","","","","","1.022","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558761","18.735","0.007","25.249","0.011","8.208","0.004","90","","102.644","0.012","90","","3789","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H56 B Cl N P Rh -","- C39 H56 B Cl N P Rh -","- C156 H224 B4 Cl4 N4 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0423","0.0271","","","0.0616","0.0659","","","","","","1.026","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558762","9.9075","0.0019","10.1161","0.0014","14.978","0.004","84.197","0.007","79.842","0.01","77.786","0.007","1441","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H48 B Cl N P2 Rh -","- C25 H48 B Cl N P2 Rh -","- C50 H96 B2 Cl2 N2 P4 Rh2 -","2","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0192","0.0183","","","0.0472","0.0479","","","","","","1.062","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558763","11.621","0.003","38.859","0.007","14.802","0.004","90","","99.837","0.007","90","","6586","3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H48 B Cl Fe N P2 Rh -","- C31 H48 B Cl Fe N P2 Rh -","- C248 H384 B8 Cl8 Fe8 N8 P16 Rh8 -","8","2","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0307","0.0238","","","0.0467","0.0497","","","","","","1.063","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558764","9.831","0.006","19.14","0.009","19.599","0.01","90","","101.13","0.03","90","","3618","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H55 B2 Cl N O2 P2 Rh -","- C33 H55 B2 Cl N O2 P2 Rh -","- C132 H220 B8 Cl4 N4 O8 P8 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0626","0.0405","","","0.0811","0.0926","","","","","","1.049","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558765","10.096","0.003","18.272","0.009","28.341","0.002","90","","90","","90","","5228","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H42 B Cl N P2 Rh -","- C22 H42 B Cl N P2 Rh -","- C176 H336 B8 Cl8 N8 P16 Rh8 -","8","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.025","0.0226","","","0.0562","0.0578","","","","","","1.058","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558766","13.118","0.005","14.618","0.008","28.215","0.01","90","","92.72","0.016","90","","5404","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H44 B Cl N P2 Rh -","- C23 H44 B Cl N P2 Rh -","- C184 H352 B8 Cl8 N8 P16 Rh8 -","8","2","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0237","0.0223","","","0.0565","0.0575","","","","","","1.072","","","","has coordinates,has disorder","254816","2020-10-21","18:00:00",""
"1558767","9.117","0.003","18.699","0.004","17.128","0.006","90","","92.047","0.016","90","","2918.1","1.5","101","2","101","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H44 B Cl N P2 Rh -","- C27 H44 B Cl N P2 Rh -","- C108 H176 B4 Cl4 N4 P8 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0222","0.0198","","","0.0464","0.0479","","","","","","1.058","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558768","16.099","0.007","12.139","0.003","20.044","0.006","90","","96.049","0.012","90","","3895","2","103","2","103","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H55 B Cl F3 N2 P Rh -","- C39 H55 B Cl F3 N2 P Rh -","- C156 H220 B4 Cl4 F12 N8 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0341","0.0276","","","0.0602","0.0636","","","","","","1.048","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558769","11.969","0.002","19.828","0.004","15.99","0.003","90","","91.168","0.006","90","","3794","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H61 B N5 Rh -","- C37 H61 B N5 Rh -","- C148 H244 B4 N20 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0237","0.0219","","","0.0507","0.0517","","","","","","1.057","","","","has coordinates,has disorder","254816","2020-10-21","18:00:00",""
"1558770","12.67","0.008","11.135","0.006","13.004","0.008","90","","90","","90","","1834.6","1.9","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H28 B N -","- C21 H28 B N -","- C84 H112 B4 N4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0484","0.039","","","0.0905","0.0961","","","","","","1.034","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558771","12.009","0.006","18.218","0.008","14.765","0.013","90","","107.74","0.02","90","","3077","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H52 B N3 P Rh -","- C30 H52 B N3 P Rh -","- C120 H208 B4 N12 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0676","0.0443","","","0.0834","0.0922","","","","","","1.014","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558772","11.254","0.004","9.024","0.002","29.373","0.008","90","","98.317","0.013","90","","2951.6","1.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H51 B Cl N P Rh -","- C28 H51 B Cl N P Rh -","- C112 H204 B4 Cl4 N4 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0553","0.0385","","","0.065","0.0688","","","","","","1.09","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558773","12.921","0.002","20.038","0.005","21.929","0.004","107.641","0.011","104.548","0.013","103.913","0.012","4919.1","1.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H147 B3 Cl3 N3 P6 Rh3 -","- C90 H146.999 B3 Cl3 N3 P6 Rh3 -","- C180 H293.998 B6 Cl6 N6 P12 Rh6 -","2","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0346","0.0302","","","0.0722","0.0753","","","","","","1.038","","","","has coordinates,has disorder","254816","2020-10-21","18:00:00",""
"1558774","22.645","0.008","18.484","0.006","17.744","0.003","90","","122.497","0.008","90","","6264","3","101","2","101","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H47 B Cl N P2 Rh -","- C30 H47 B Cl N P2 Rh -","- C240 H376 B8 Cl8 N8 P16 Rh8 -","8","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0295","0.0251","","","0.055","0.0574","","","","","","1.096","","","","has coordinates,has disorder","254816","2020-10-21","18:00:00",""
"1558775","14.74","0.003","15.319","0.004","14.833","0.003","90","","116.828","0.009","90","","2988.8","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H51 B Cl N P Rh -","- C28 H51 B Cl N P Rh -","- C112 H204 B4 Cl4 N4 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0438","0.0367","","","0.0929","0.0981","","","","","","1.057","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558776","11.06","0.003","18.039","0.003","17.701","0.002","90","","94.498","0.012","90","","3520.7","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H55 B N5 Rh -","- C34 H55 B N5 Rh -","- C136 H220 B4 N20 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0292","0.0242","","","0.0547","0.0577","","","","","","1.072","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558777","11.529","0.004","16.437","0.005","18.831","0.005","90","","90","","90","","3568.5","1.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H60 B N3 P Rh -","- C34 H60 B N3 P Rh -","- C136 H240 B4 N12 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0305","0.0284","","","0.0695","0.0708","","","","","","1.053","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558778","21.577","0.005","8.0109","0.0019","34.845","0.008","90","","90","","90","","6023","2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H51 B Cl N P Rh -","- C28 H51 B Cl N P Rh -","- C224 H408 B8 Cl8 N8 P8 Rh8 -","8","2","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0695","0.053","","","0.1146","0.1221","","","","","","1.099","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558779","11.713","0.002","16.027","0.0019","20.498","0.004","90","","106.075","0.007","90","","3697.5","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H65 B N3 P Rh -","- C36 H65 B N3 P Rh -","- C144 H260 B4 N12 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0366","0.0288","","","0.0652","0.0692","","","","","","1.063","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558780","8.2066","0.0005","16.0484","0.001","5.6011","0.0003","90","","100.525","0.002","90","","725.27","0.07","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br2 -","- C16 H16 Br2 -","- C32 H32 Br4 -","2","0.5","","Gieuw, Matthew H.; Chen, Shuming; Ke, Zhihai; Houk, Kendall N.; Yeung, Ying-Yeung","Boron Tribromide as Reagent for Anti-Markovnikov Addition of HBr to Cyclopropanes","Chemical Science","2020","","","","","10.1039/D0SC02567D","","","0.71073","MoKα","","0.0258","0.0231","","","0.0637","0.0649","","","","","","1.166","","","","has coordinates","254817","2020-10-21","18:00:00",""
"1558781","10.2107","0.0002","10.2107","0.0002","43.1372","0.0013","90","","90","","90","","4497.42","0.18","170","0.1","170","0.1","","","","","","","","4","P 43 2 2","P 4cw 2c","95","","","","- C27 H15 O21 Tb3 -","- C27 H15 O21 Tb3 -","- C108 H60 O84 Tb12 -","4","0.5","","Zeng, Min; Ren, Ang; Wu, Wubin; Zhao, Yong Sheng; Zhan, Chuanlang; Yao, Jiannian","Lanthanide MOFs for Inducing Molecular Chirality of Achiral Stilbazolium with Strong Circularly Polarized Luminescence and Efficient Energy Transfer for Color Tuning","Chemical Science","2020","","","","","10.1039/D0SC02856H","","x-ray","0.71073","MoKα","","0.0619","0.0575","","","0.1272","0.1285","","","","","","1.13","","","","has coordinates","254818","2020-10-21","18:00:00",""
"1558782","10.2191","0.0002","10.2191","0.0002","14.3738","0.0005","90","","90","","90","","1501.06","0.07","169.97","0.1","169.97","0.1","","","","","","","","4","P 43 2 2","P 4cw 2c","95","","","","- C9 H5 O7 Tb -","- C9 H5 O7 Tb -","- C36 H20 O28 Tb4 -","4","0.5","","Zeng, Min; Ren, Ang; Wu, Wubin; Zhao, Yong Sheng; Zhan, Chuanlang; Yao, Jiannian","Lanthanide MOFs for Inducing Molecular Chirality of Achiral Stilbazolium with Strong Circularly Polarized Luminescence and Efficient Energy Transfer for Color Tuning","Chemical Science","2020","","","","","10.1039/D0SC02856H","","x-ray","1.54184","CuKα","","0.0576","0.0536","","","0.121","0.1272","","","","","","1.178","","","","has coordinates,has disorder","254818","2020-10-21","18:00:00",""
"1558783","12.143","0.0005","7.3397","0.0003","9.2655","0.0005","90","","90","","90","","825.8","0.07","143","2","143","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Fluoromethyl)trimethylphosphonium iodide","","- C4 H11 F I P -","- C4 H11 F I P -","- C16 H44 F4 I4 P4 -","4","0.5","","Reichel, Marco; Unger, Cornelia; Dubovnik, Sviatlana; Roidl, Andreas; Kornath, Andreas; Karaghiosoff, Konstantin","Synthesis, structural and toxicological investigations of quarternary phosphonium salts containing the P-bonded bioisosteric CH2F moiety","New Journal of Chemistry","2020","44","33","14306","14315","10.1039/D0NJ02310H","","","0.71073","MoKα","","0.0313","0.0223","","","0.046","0.0504","","","","","","1.102","","","","has coordinates,has disorder","257700","2020-10-21","18:00:00",""
"1558784","10.0648","0.0003","10.1439","0.0005","18.6453","0.0008","93.292","0.004","92.58","0.003","90.104","0.003","1898.53","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Tris(diethylamino)fluoromethylphosphonium iodide","","- C13 H32 F I N3 P -","- C13 H32 F I N3 P -","- C52 H128 F4 I4 N12 P4 -","4","2","","Reichel, Marco; Unger, Cornelia; Dubovnik, Sviatlana; Roidl, Andreas; Kornath, Andreas; Karaghiosoff, Konstantin","Synthesis, structural and toxicological investigations of quarternary phosphonium salts containing the P-bonded bioisosteric CH2F moiety","New Journal of Chemistry","2020","44","33","14306","14315","10.1039/D0NJ02310H","","","0.71073","MoKα","","0.0826","0.043","","","0.0717","0.086","","","","","","1.013","","","","has coordinates","257700","2020-10-21","18:00:00",""
"1558785","11.5552","0.0017","13.7077","0.0016","17.2666","0.0011","69.635","0.009","78.081","0.009","65.391","0.013","2325","0.5","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","(fluoromethyl)diphenylphosphine oxide","","- C13 H12 F O P -","- C13 H12 F O P -","- C104 H96 F8 O8 P8 -","8","4","","Reichel, Marco; Unger, Cornelia; Dubovnik, Sviatlana; Roidl, Andreas; Kornath, Andreas; Karaghiosoff, Konstantin","Synthesis, structural and toxicological investigations of quarternary phosphonium salts containing the P-bonded bioisosteric CH2F moiety","New Journal of Chemistry","2020","44","33","14306","14315","10.1039/D0NJ02310H","","","0.71073","MoKα","","0.0929","0.0489","","","0.1157","0.1424","","","","","","1.016","","","","has coordinates","257700","2020-10-21","18:00:00",""
"1558786","8.7566","0.0002","9.3257","0.0003","17.2049","0.0005","90","","100.741","0.002","90","","1380.36","0.07","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tris(2-cyanoethyl)(fluoromethyl)phosphonium iodide","","- C10 H14 F I N3 P -","- C10 H14 F I N3 P -","- C40 H56 F4 I4 N12 P4 -","4","1","","Reichel, Marco; Unger, Cornelia; Dubovnik, Sviatlana; Roidl, Andreas; Kornath, Andreas; Karaghiosoff, Konstantin","Synthesis, structural and toxicological investigations of quarternary phosphonium salts containing the P-bonded bioisosteric CH2F moiety","New Journal of Chemistry","2020","44","33","14306","14315","10.1039/D0NJ02310H","","","0.71073","MoKα","","0.0351","0.0241","","","0.0497","0.0547","","","","","","1.021","","","","has coordinates","257700","2020-10-21","18:00:00",""
"1558787","11.3894","0.0004","13.0313","0.0006","13.4302","0.0004","64.227","0.004","66.641","0.003","68.195","0.004","1599.41","0.12","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H30.57 F I O1.28 P2 -","- C37 H30.568 F I O1.284 P2 -","- C74 H61.136 F2 I2 O2.568 P4 -","2","1","","Reichel, Marco; Unger, Cornelia; Dubovnik, Sviatlana; Roidl, Andreas; Kornath, Andreas; Karaghiosoff, Konstantin","Synthesis, structural and toxicological investigations of quarternary phosphonium salts containing the P-bonded bioisosteric CH2F moiety","New Journal of Chemistry","2020","44","33","14306","14315","10.1039/D0NJ02310H","","","0.71073","MoKα","","0.0555","0.041","","","0.0929","0.102","","","","","","1.041","","","","has coordinates","257700","2020-10-21","18:00:00",""
"1558788","12.14978","0.00017","26.7382","0.0003","23.8054","0.0002","90","","94.0929","0.001","90","","7713.78","0.15","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17.75 H23 F N3 O4.75 S -","- C17.75 H23 F N3 O4.75 S -","- C284 H368 F16 N48 O76 S16 -","16","8","","Zhao, Hongyi; Wang, Bin; Fu, Lei; Li, Gang; Lu, Haijia; Liu, Yuke; Sheng, Li; Li, Yan; Zhang, Baoxi; Lu, Yang; Ma, Chen; Huang, Haihong; Zhang, Dongfeng; Lu, Yu","The Discovery of a Conformationally Constrained Oxazolidinone with Improved Safety and Efficacy Profiles for the Treatment of Multidrug-Resistant Tuberculosis.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.0c00500","","","1.54184","CuKα","","0.0814","0.0553","","","0.1461","0.1723","","","","","","1.019","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1558789","22.7995","0.0008","23.4951","0.0009","24.1703","0.0006","93.532","0.002","96.446","0.002","99.054","0.003","12663.8","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- B2 H129 Na9 O216 Si4 W40 Zr8 -","- B2 Na9 O216 Si4 W40 Zr8 -","- B4 Na18 O432 Si8 W80 Zr16 -","2","1","","Zhang, Zhong; Wang, Yue-Lin; Liu, Yan; Huang, Sheng-Li; Yang, Guo-Yu","Three ring-shaped Zr(iv)-substituted silicotungstates: syntheses, structures and their properties.","Nanoscale","2020","12","35","18333","18341","10.1039/d0nr02945a","","","0.71073","MoKα","","0.1256","0.0809","","","0.221","0.2583","","","","","","1.059","","","","has coordinates","257630","2020-10-21","18:00:00",""
"1558790","44.1472","0.0014","12.5213","0.0005","41.9116","0.0014","90","","90","","90","","23167.9","1.4","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- B6 H118 Na8 O216 Si4 W40 Zr8 -","- B6 Na8 O216 Si4 W40 Zr8 -","- B24 Na32 O864 Si16 W160 Zr32 -","4","0.25","","Zhang, Zhong; Wang, Yue-Lin; Liu, Yan; Huang, Sheng-Li; Yang, Guo-Yu","Three ring-shaped Zr(iv)-substituted silicotungstates: syntheses, structures and their properties.","Nanoscale","2020","12","35","18333","18341","10.1039/d0nr02945a","","","0.71073","MoKα","","0.0871","0.067","","","0.1548","0.1668","","","","","","1.091","","","","has coordinates","257630","2020-10-21","18:00:00",""
"1558791","11.7819","0.0002","20.9415","0.0005","21.9893","0.0006","67.484","0.002","82.137","0.002","88.158","0.002","4963.5","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H88 N8 O168 Si4 W40 Zr8 -","- C6 N4 O162 Si4 W40 Zr8 -","- C6 N4 O162 Si4 W40 Zr8 -","1","0.5","","Zhang, Zhong; Wang, Yue-Lin; Liu, Yan; Huang, Sheng-Li; Yang, Guo-Yu","Three ring-shaped Zr(iv)-substituted silicotungstates: syntheses, structures and their properties.","Nanoscale","2020","12","35","18333","18341","10.1039/d0nr02945a","","","0.71073","MoKα","","0.0943","0.0759","","","0.2037","0.2197","","","","","","1.044","","","","has coordinates","257630","2020-10-21","18:00:00",""
"1558792","9.4021","0.0003","13.6517","0.0003","24.7468","0.0006","95.613","0.0014","95.4022","0.0015","91.5873","0.0015","3144.91","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N4 O6 -","- C22 H18 N4 O6 -","- C132 H108 N24 O36 -","6","3","","Manes, Taylor A.; Imler, Gregory H.; Sullivan, Kyle T.; Bukovsky, Eric V.","Evaluating the bis-isoxazole core for energetic heterocyclic-based oligomers","Polymer Chemistry","2020","11","38","6149","6156","10.1039/D0PY00875C","","","1.54178","CuKα","","0.0905","0.0524","","","0.1474","0.1668","","","","","","1.033","","","","has coordinates","258994","2020-11-06","13:22:51",""
"1558793","9.9415","0.0001","15.8691","0.0003","10.216","0.0002","90","","118.805","0.001","90","","1412.28","0.04","566","2","566","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Integration","","","- C15 H10 Br2 N2 -","- C15 H10 Br2 N2 -","- C60 H40 Br8 N8 -","4","1","","O’SHEA, Donal F.; SOMMER, Roger D.; TANIGUCHI, Masahiko; LINDSEY, Jonathan S.","Crystal Structure of 1,9-Dibromo-5-phenyldipyrrin, Tetrapyrrole Synthesis Derivative and Free Base Ligand of BODIPY Building Blocks","X-ray Structure Analysis Online","2020","36","0","21","22","10.2116/xraystruct.36.21","","","0.7107","MoKα","","0.038","0.0266","","","0.0599","0.0653","","","","","","1.032","","","","has coordinates","258164","2020-10-21","18:00:00",""
"1558794","11.1387","0.0005","11.5941","0.0005","21.7622","0.0009","88.1955","0.0013","76.0524","0.0014","79.232","0.0011","2679.3","0.2","90","","90","","","","","","","","","7","P -1","-P 1","2","C33H33N6OCo2(C6F5CO2)2(ClO4)2(Et2O)","","","- C51 H43 Cl2 Co2 F10 N6 O14 -","- C51 H43 Cl2 Co2 F10 N6 O14 -","- C102 H86 Cl4 Co4 F20 N12 O28 -","2","1","","SHINDE, Naho; FURUTACHI, Hideki; SAKATA, Yoko; AKINE, Shigehisa; FUJINAMI, Shuhei; SUZUKI, Masatatsu","Crystal Structure of (μ-Phenoxo)bis(μ-pentafluorobenzoate)dicobalt(II, III) Complex with a Dinucleating Ligand","X-ray Structure Analysis Online","2020","36","0","23","25","10.2116/xraystruct.36.23","","","1.54178","CuKα","","0.039","0.037","","","0.1004","0.1028","","","","","","1.036","","","","has coordinates,has disorder","258169","2020-10-21","18:00:00",""
"1558795","5.2255","0.0014","19.615","0.005","20.516","0.006","90","","96.921","0.006","90","","2087.5","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Hydroxy-Pyridine-silver nitrate","","","- C15 H15 Ag3 N6 O12 -","- C15 H15 Ag3 N6 O12 -","- C60 H60 Ag12 N24 O48 -","4","1","","Badr, Ahmed M. A.; Barakat, Assem; Albering, Jörg H.; Sharaf, Mona M.; Ul-Haq, Zaheer; Soliman, Saied M.","Structure, Antimicrobial Activity, Hirshfeld Analysis, and Docking Studies of Three Silver(I) Complexes-Based Pyridine Ligands","Applied Sciences","2020","10","14","4853","","10.3390/app10144853","","","0.71073","MoKα","","0.0475","0.0337","","","0.0818","0.0949","","","","","","1.157","","","","has coordinates","255113","2020-10-21","18:00:00",""
"1558796","8.1664","0.0004","8.4103","0.0004","10.4848","0.0005","70.364","0.001","76.308","0.001","61.128","0.001","591.51","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Ag N3 O5 -","- C10 H10 Ag N3 O5 -","- C20 H20 Ag2 N6 O10 -","2","1","","Badr, Ahmed M. A.; Barakat, Assem; Albering, Jörg H.; Sharaf, Mona M.; Ul-Haq, Zaheer; Soliman, Saied M.","Structure, Antimicrobial Activity, Hirshfeld Analysis, and Docking Studies of Three Silver(I) Complexes-Based Pyridine Ligands","Applied Sciences","2020","10","14","4853","","10.3390/app10144853","","","0.71073","MoKα","","0.0251","0.0246","","","0.0663","0.0668","","","","","","1.094","","","","has coordinates","255114","2020-10-21","18:00:00",""
"1558797","22.493","0.0018","7.8119","0.0007","3.6817","0.0003","90","","91.727","0.003","90","","646.63","0.09","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H10 Ag N3 O5 -","- C12 H10 Ag N3 O5 -","- C24 H20 Ag2 N6 O10 -","2","0.5","","Badr, Ahmed M. A.; Barakat, Assem; Albering, Jörg H.; Sharaf, Mona M.; Ul-Haq, Zaheer; Soliman, Saied M.","Structure, Antimicrobial Activity, Hirshfeld Analysis, and Docking Studies of Three Silver(I) Complexes-Based Pyridine Ligands","Applied Sciences","2020","10","14","4853","","10.3390/app10144853","","","0.71073","MoKα","","0.0192","0.0192","","","0.0448","0.0448","","","","","","1.112","","","","has coordinates","255115","2020-10-21","18:00:00",""
"1558798","15.36","0.0006","13.8978","0.0005","18.4909","0.0008","90","","103.452","0.0011","90","","3839","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 B Fe N4 O2 -","- C46 H46 B Fe N4 O2 -","- C184 H184 B4 Fe4 N16 O8 -","4","1","","Ishikawa, Ryuta; Noda, Takeshi; Ueno, Shunya; Okubo, Takashi; Yamakawa, Hirofumi; Sakamoto, Ken-ichi; Kawata, Satoshi","Spin Crossover in Bipyridine Derivative Bridged One-Dimensional Iron(III) Coordination Polymer","Magnetochemistry","2020","6","3","29","","10.3390/magnetochemistry6030029","","","0.71075","MoKα","","0.0569","0.0485","","","0.1201","0.1245","","","","","","1.091","","","","has coordinates","255120","2020-10-21","18:00:00",""
"1558799","11.7178","0.0013","36.427","0.004","16.1388","0.0017","90","","104.503","0.007","90","","6669.2","1.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H86 B2 Fe N6 O2 -","- C81 H86 B2 Fe N6 O2 -","- C324 H344 B8 Fe4 N24 O8 -","4","1","","Ishikawa, Ryuta; Noda, Takeshi; Ueno, Shunya; Okubo, Takashi; Yamakawa, Hirofumi; Sakamoto, Ken-ichi; Kawata, Satoshi","Spin Crossover in Bipyridine Derivative Bridged One-Dimensional Iron(III) Coordination Polymer","Magnetochemistry","2020","6","3","29","","10.3390/magnetochemistry6030029","","","0.71075","MoKα","","0.1132","0.0645","","","0.1647","0.2157","","","","","","1.057","","","","has coordinates","255121","2020-10-21","18:00:00",""
"1558800","15.4749","0.0007","13.9637","0.0006","18.888","0.0009","90","","103.392","0.007","90","","3970.5","0.3","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 B Fe N4 O2 -","- C46 H46 B Fe N4 O2 -","- C184 H184 B4 Fe4 N16 O8 -","4","1","","Ishikawa, Ryuta; Noda, Takeshi; Ueno, Shunya; Okubo, Takashi; Yamakawa, Hirofumi; Sakamoto, Ken-ichi; Kawata, Satoshi","Spin Crossover in Bipyridine Derivative Bridged One-Dimensional Iron(III) Coordination Polymer","Magnetochemistry","2020","6","3","29","","10.3390/magnetochemistry6030029","","","0.71075","MoKα","","0.0598","0.0492","","","0.1205","0.1285","","","","","","1.117","","","","has coordinates","255123","2020-10-21","18:00:00",""
"1558801","11.5785","0.0004","36.8734","0.001","16.5868","0.0005","90","","103.385","0.007","90","","6889.2","0.4","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H86 B2 Fe N6 O2 -","- C81 H81 B2 Fe N6 O2 -","- C324 H324 B8 Fe4 N24 O8 -","4","1","","Ishikawa, Ryuta; Noda, Takeshi; Ueno, Shunya; Okubo, Takashi; Yamakawa, Hirofumi; Sakamoto, Ken-ichi; Kawata, Satoshi","Spin Crossover in Bipyridine Derivative Bridged One-Dimensional Iron(III) Coordination Polymer","Magnetochemistry","2020","6","3","29","","10.3390/magnetochemistry6030029","","","0.71075","MoKα","","0.135","0.0673","","","0.1473","0.1747","","","","","","1.011","","","","has coordinates","255124","2020-10-21","18:00:00",""
"1558802","5.5972","0.0002","15.0183","0.0006","16.7717","0.0006","90","","90","","90","","1409.84","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C68 H64 N8 O16 -","4","1","","Konstantinova, Lidia S.; Tolmachev, Mikhail A.; Popov, Vadim V.; Rakitin, Oleg A.","Ethyl 11a,12-Dihydrobenzo[b]benzo[5,6][1,4]oxazino[2,3-e][1,4]oxazine-5a(6H)-carboxylate","Molbank","2020","2020","3","M1149","","10.3390/M1149","","","0.71073","MoKα","","0.0423","0.0345","","","0.0855","0.0914","","","","","","1.04","","","","has coordinates","255133","2020-10-21","18:00:00",""
"1558803","7.46458","0.00013","17.4351","0.0003","10.11223","0.00013","90","","99.0427","0.0014","90","","1299.71","0.04","93","2","93","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H38 Fe N2 Si -","- C26 H38 Fe N2 Si -","- C52 H76 Fe2 N4 Si2 -","2","0.5","","Nagelski, Alexandra L.; Fataftah, Majed S.; Bollmeyer, Melissa M.; McWilliams, Sean F.; MacMillan, Samantha N.; Mercado, Brandon Q.; Lancaster, Kyle M.; Holland, Patrick L.","The influences of carbon donor ligands on biomimetic multi-iron complexes for N2 reduction","Chemical Science","2020","","","","","10.1039/D0SC03447A","","","1.54184","CuKα","","0.032","0.0303","","","0.085","0.0864","","","","","","1.063","","","","has coordinates,has disorder","255148","2020-10-21","18:00:00",""
"1558804","12.7212","0.0004","13.5703","0.0004","14.5849","0.0005","73.777","0.002","85.65","0.003","86.169","0.002","2407.84","0.14","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H74.63 Fe K N2 O7.5 Si -","- C44 H74.626 Fe K N2 O7.5 Si -","- C88 H149.252 Fe2 K2 N4 O15 Si2 -","2","1","","Nagelski, Alexandra L.; Fataftah, Majed S.; Bollmeyer, Melissa M.; McWilliams, Sean F.; MacMillan, Samantha N.; Mercado, Brandon Q.; Lancaster, Kyle M.; Holland, Patrick L.","The influences of carbon donor ligands on biomimetic multi-iron complexes for N2 reduction","Chemical Science","2020","","","","","10.1039/D0SC03447A","","","0.71073","MoKα","","0.0481","0.0419","","","0.1003","0.1033","","","","","","1.034","","","","has coordinates,has disorder","255148","2020-10-21","18:00:00",""
"1558805","15.284","0.0003","14.0745","0.0003","22.2861","0.0004","90","","94.457","0.002","90","","4779.57","0.16","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50.5 H70 Fe2 N4 S Si -","- C50.5 H70 Fe2 N4 S Si -","- C202 H280 Fe8 N16 S4 Si4 -","4","1","","Nagelski, Alexandra L.; Fataftah, Majed S.; Bollmeyer, Melissa M.; McWilliams, Sean F.; MacMillan, Samantha N.; Mercado, Brandon Q.; Lancaster, Kyle M.; Holland, Patrick L.","The influences of carbon donor ligands on biomimetic multi-iron complexes for N2 reduction","Chemical Science","2020","","","","","10.1039/D0SC03447A","","","0.71073","MoKα","","0.0449","0.0307","","","0.0785","0.087","","","","","","1.092","","","","has coordinates,has disorder","255148","2020-10-21","18:00:00",""
"1558806","6.2396","0.0002","23.7102","0.0007","9.2667","0.0003","90","","96.545","0.003","90","","1362","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","","Xie, Jianing; Li, Xuetong; Kleij, Arjan Willem","Pd-catalyzed stereoselective tandem ring-opening amination/cyclization of vinyl gamma-lactones: Access to caprolactam diversity","Chemical Science","2020","","","","","10.1039/D0SC03647A","","","0.71075","MoKα","","0.0429","0.0389","","","0.1064","0.1088","","","","","","1.074","","","","has coordinates","255149","2020-10-21","18:00:00",""
"1558807","13.0644","0.001","7.055","0.0006","17.3068","0.0015","90","","94.551","0.002","90","","1590.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Br2 N O -","- C18 H17 Br2 N O -","- C72 H68 Br8 N4 O4 -","4","1","","Xie, Jianing; Li, Xuetong; Kleij, Arjan Willem","Pd-catalyzed stereoselective tandem ring-opening amination/cyclization of vinyl gamma-lactones: Access to caprolactam diversity","Chemical Science","2020","","","","","10.1039/D0SC03647A","","","0.71073","MoKα","","0.0545","0.04","","","0.0923","0.0979","","","","","","1.05","","","","has coordinates","255149","2020-10-21","18:00:00",""
"1558808","17.1885","0.0008","18.1907","0.0008","19.2773","0.0008","67.867","0.004","83.882","0.004","83.88","0.004","5537","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","A2L3Zn2","","","- C193 H180 F21 N28 O21 S19 Zn4 -","- C193 H180 F21 N28 O21 S19 Zn4 -","- C193 H180 F21 N28 O21 S19 Zn4 -","1","0.5","","Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong","Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages","Chemical Science","2020","","","","","10.1039/D0SC03290E","","","1.54184","CuKα","","0.1225","0.0951","","","0.2656","0.2974","","","","","","1.036","","","","has coordinates,has disorder","255150","2020-10-21","18:00:00",""
"1558809","17.6556","0.0011","18.0529","0.0012","19.857","0.002","78.743","0.008","75.912","0.008","79.512","0.005","5960.2","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C105 H105 Cd2 F12 N15 O12 S10 -","- C105 H105 Cd2 F12 N15 O12 S10 -","- C210 H210 Cd4 F24 N30 O24 S20 -","2","1","","Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong","Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages","Chemical Science","2020","","","","","10.1039/D0SC03290E","","","1.54184","CuKα","","0.2064","0.1205","","","0.2045","0.2296","","","","","","1.034","","","","has coordinates","255150","2020-10-21","18:00:00",""
"1558810","21.3852","0.0006","18.216","0.0003","28.8807","0.0004","90","","91.739","0.002","90","","11245.4","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","A2L3Zn2-uv","","","- C97 H90 F12 N14 O12 S10 Zn2 -","- C97 H90 F12 N14 O12 S10 Zn2 -","- C388 H360 F48 N56 O48 S40 Zn8 -","4","1","","Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong","Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages","Chemical Science","2020","","","","","10.1039/D0SC03290E","","","1.54184","CuKα","","0.1109","0.0914","","","0.2692","0.3","","","","","","1.048","","","","has coordinates","255150","2020-10-21","18:00:00",""
"1558811","21.057","0.0009","15.0503","0.0003","34.322","0.003","90","","90.522","0.006","90","","10876.7","1.1","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","A2L3-R","","","- C93 H102 N14 S6 -","- C93 H102 N14 S6 -","- C372 H408 N56 S24 -","4","1","","Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong","Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages","Chemical Science","2020","","","","","10.1039/D0SC03290E","","x-ray","1.54184","CuKα","","0.2304","0.2016","","","0.4995","0.5148","","","","","","0.906","","","","has coordinates","255150","2020-10-21","18:00:00",""
"1558812","24.6968","0.0007","9.9776","0.0003","9.3115","0.0002","90","","93.975","0.002","90","","2288.97","0.11","161","17","161","17","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 N2 O2 S2 -","- C27 H22 N2 O2 S2 -","- C108 H88 N8 O8 S8 -","4","0.5","","Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong","Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages","Chemical Science","2020","","","","","10.1039/D0SC03290E","","x-ray","1.54184","CuKα","","0.0367","0.0345","","","0.0928","0.0947","","","","","","1.056","","","","has coordinates","255150","2020-10-21","18:00:00",""
"1558813","22.315","0.0013","12.4269","0.0005","8.2043","0.0005","90","","92.884","0.005","90","","2272.2","0.2","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","C-PADTE","","","- C27 H22 N2 O2 S2 -","- C27 H22 N2 O2 S2 -","- C108 H88 N8 O8 S8 -","4","0.5","","Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong","Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages","Chemical Science","2020","","","","","10.1039/D0SC03290E","","x-ray","1.54184","CuKα","","0.0819","0.0624","","","0.1505","0.1658","","","","","","1.034","","","","has coordinates","255150","2020-10-21","18:00:00",""
"1558814","13.5418","0.0001","13.5418","0.0001","66.0707","0.0008","90","","90","","90","","12116.1","0.19","150","0.1","150","0.1","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","A2L3Cd2","","","- C109 H111 Cd2 F12 N17 O12 S10 -","- C109 H111 Cd2 F12 N17 O12 S10 -","- C436 H444 Cd8 F48 N68 O48 S40 -","4","0.5","","Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong","Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages","Chemical Science","2020","","","","","10.1039/D0SC03290E","","x-ray","1.54184","CuKα","","0.1046","0.0978","","","0.261","0.2706","","","","","","1.024","","","","has coordinates,has disorder","255150","2020-10-21","18:00:00",""
"1558815","10.534","0.002","10.545","0.002","11.217","0.002","90","","90","","90","","1246","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Trichloridosulfonium(IV) hexachloridouranate(V)","Trichloridosulfonium(IV) hexachloridouranate(V)","","- Cl9 S U -","- Cl9 S U -","- Cl36 S4 U4 -","4","1","WM4134","Deubner, Holger Lars; Ivlev, Sergei I.; Kraus, Florian","Rerefinement of the crystal structure of trichloridosulfonium(IV) hexachloridouranate(V), (SCl~3~)[UCl~6~]","IUCrData","2020","5","7","x200960","","10.1107/S2414314620009608","","","0.71073","MoKα","","0.0201","0.0194","","","0.0432","0.0434","","","","","","1.08","","","","has coordinates,has Fobs","255164","2020-10-21","18:00:00",""
"1558816","7.191","0.005","8.698","0.005","10.987","0.005","112.289","0.005","92.827","0.005","101.656","0.005","616.7","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","Bis(3,5-dinitrobenzoato-κ<i>O</i>)bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)","","- C18 H22 Cd N8 O12 -","- C18 H22 Cd N8 O12 -","- C18 H22 Cd N8 O12 -","1","0.5","WM4132","Ibragimov, Avazbek","Bis(3,5-dinitrobenzoato-κ<i>O</i>)bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)","IUCrData","2020","5","7","x200843","","10.1107/S2414314620008433","","","1.54184","CuKα","","0.0342","0.0327","","","0.0846","0.0864","","","","","","1.06","","","","has coordinates,has Fobs","255165","2020-10-21","18:00:00",""
"1558817","10.479","0.002","10.076","0.002","34.499","0.007","90","","93.585","0.006","90","","3635.5","1.2","233","2","233","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C38.5 H57 O5.5 -","- C37 H54 O5 -","- C148 H216 O20 -","4","1","","Marchbank, Douglas H.; Ptycia-Lamky, Vernon C.; Decken, Andreas; Haltli, Bradley A.; Kerr, Russell G.","Guanahanolide A, a Meroterpenoid with a Sesterterpene Skeleton from Coral-Derived Streptomyces sp.","Organic Letters","2020","","","","","10.1021/acs.orglett.0c02208","","x-ray","0.71073","MoKα","","0.0679","0.0449","","","0.1082","0.1219","","","","","","1.017","","","","has coordinates","255191","2020-10-21","18:00:00",""
"1558818","7.8041","0.0006","22.8879","0.0016","25.267","0.0016","90","","90","","90","","4513.2","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-<i>N</i>'-[(<i>E</i>)-4-Methoxybenzylidene]-2-(methoxyimino)-2-{2-[(2-methylphenoxy)methyl]phenyl}acetohydrazide","","- C25 H25 N3 O4 -","- C25 H25 N3 O4 -","- C200 H200 N24 O32 -","8","2","HB4356","Shripanavar, Chetan Shrimandhar; Butcher, Ray J.","(<i>Z</i>)-<i>N</i>'-[(<i>E</i>)-4-Methoxybenzylidene]-2-(methoxyimino)-2-{2-[(2-methylphenoxy)methyl]phenyl}acetohydrazide","IUCrData","2020","5","8","x201060","","10.1107/S2414314620010603","","","0.71073","MoKα","","0.1314","0.0688","","","0.1184","0.1356","","","","","","0.93","","","","has coordinates,has Fobs","255207","2020-10-21","18:00:00",""
"1558819","10.0128","0.0019","19.991","0.004","18.021","0.003","90","","100.403","0.002","90","","3547.9","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H96 K2 O14 -","- C80 H96 K2 O14 -","- C160 H192 K4 O28 -","2","0.5","","Zhou, Zheng; Wei, Zheng; Schaub, Tobias A.; Jasti, Ramesh; Petrukhina, Marina A.","Structural deformation and host‒guest properties of doubly-reduced cycloparaphenylenes, [n]CPPs2− (n = 6, 8, 10, and 12)","Chemical Science","2020","","","","","10.1039/D0SC03072D","","","0.71073","MoKα","","0.0891","0.0541","","","0.0971","0.1099","","","","","","1.077","","","","has coordinates,has disorder","255226","2020-10-21","18:00:00",""
"1558820","13.362","0.0005","14.3577","0.0005","19.7293","0.0007","104.73","0.001","103.035","0.001","108.151","0.001","3281.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C156 H184 K2 O27 -","- C136 H144 K2 O22 -","- C136 H144 K2 O22 -","1","0.5","","Zhou, Zheng; Wei, Zheng; Schaub, Tobias A.; Jasti, Ramesh; Petrukhina, Marina A.","Structural deformation and host‒guest properties of doubly-reduced cycloparaphenylenes, [n]CPPs2− (n = 6, 8, 10, and 12)","Chemical Science","2020","","","","","10.1039/D0SC03072D","","x-ray","0.61992","synchrotron","","0.0852","0.0794","","","0.2462","0.2534","","","","","","1.066","","","","has coordinates","255226","2020-10-21","18:00:00",""
"1558821","16.905","0.0016","18.2916","0.0017","24.694","0.002","90","","90","","90","","7635.9","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C92 H104 K2 O14 -","- C92 H104 K2 O14 -","- C368 H416 K8 O56 -","4","0.5","","Zhou, Zheng; Wei, Zheng; Schaub, Tobias A.; Jasti, Ramesh; Petrukhina, Marina A.","Structural deformation and host‒guest properties of doubly-reduced cycloparaphenylenes, [n]CPPs2− (n = 6, 8, 10, and 12)","Chemical Science","2020","","","","","10.1039/D0SC03072D","","","0.71073","MoKα","","0.1086","0.0698","","","0.1308","0.1455","","","","","","1.089","","","","has coordinates,has disorder","255226","2020-10-21","18:00:00",""
"1558822","7.0648","0.0004","26.4382","0.0014","45.215","0.003","90","","90","","90","","8445.3","0.9","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","Fe2(bdp)3(DMF)0.58","Fe2(bdp)3","","- C39.44 H32.02 Fe2 N13.14 O1.15 -","- C39.432 H32.008 Fe2 N13.144 O1.144 -","- C315.456 H256.064 Fe16 N105.152 O9.152 -","8","0.25","","Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R.","Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion","Chemical Science","2020","","","","","10.1039/D0SC03383A","","","0.8856","synchrotron","","0.0857","0.0718","","","0.2025","0.2123","","","","","","1.141","","","","has coordinates,has disorder","255227","2020-10-21","18:00:00",""
"1558823","7.0813","0.0016","26.493","0.007","45.483","0.012","90","","90","","90","","8533","4","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","Na0.5Fe2(bdp)3","Na0.5Fe2(bdp)3","","- C36 H24 Fe2 N12 Na0.51 -","- C36 H24 Fe2 N12 Na0.492 -","- C288 H192 Fe16 N96 Na3.936 -","8","0.25","","Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R.","Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion","Chemical Science","2020","","","","","10.1039/D0SC03383A","","","0.7288","synchrotron","","0.0674","0.0542","","","0.158","0.1677","","","","","","1.099","","","","has coordinates,has disorder","255227","2020-10-21","18:00:00",""
"1558824","7.081","0.003","26.535","0.009","45.388","0.019","90","","90","","90","","8528","6","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","K2Fe2(bdp)3","K2Fe2(bdp)3","","- C36 H24 Fe2 K2.01 N12 -","- C36 H24 Fe2 K2.04 N12 -","- C288 H192 Fe16 K16.32 N96 -","8","0.25","","Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R.","Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion","Chemical Science","2020","","","","","10.1039/D0SC03383A","","","0.7288","synchrotron","","0.0606","0.0504","","","0.1394","0.1457","","","","","","1.143","","","","has coordinates,has disorder","255227","2020-10-21","18:00:00",""
"1558825","7.0835","0.0003","26.4668","0.0012","45.398","0.002","90","","90","","90","","8511.1","0.6","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","Na2Fe2(bdp)3","Na2Fe2(bdp)3","","- C36 H24 Fe2 N12 Na2.04 -","- C36 H24 Fe2 N12 Na2.06 -","- C288 H192 Fe16 N96 Na16.48 -","8","0.25","","Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R.","Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion","Chemical Science","2020","","","","","10.1039/D0SC03383A","","","0.7288","synchrotron","","0.0713","0.0568","","","0.1618","0.1747","","","","","","1.08","","","","has coordinates,has disorder","255227","2020-10-21","18:00:00",""
"1558826","7.0748","0.0003","26.4454","0.0009","45.3279","0.0017","90","","90","","90","","8480.7","0.6","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","Li2Fe2(bdp)3","Li2Fe2(bdp)3","","- C36 H24 Fe2 Li2 N12 -","- C36 H24 Fe2 Li2 N12 -","- C288 H192 Fe16 Li16 N96 -","8","0.25","","Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R.","Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion","Chemical Science","2020","","","","","10.1039/D0SC03383A","","","0.7288","synchrotron","","0.0731","0.0599","","","0.1766","0.1918","","","","","","1.166","","","","has coordinates,has disorder","255227","2020-10-21","18:00:00",""
"1558827","11.823","0.011","14.91","0.02","17.77","0.03","66.73","0.06","84.29","0.05","75.73","0.05","2789","7","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H21 N3 O4 S2 -","- C17 H21 N3 O4 S2 -","- C102 H126 N18 O24 S12 -","6","3","","Imani, Zeynab; Mundlapati, V. Rao; Goldsztejn, Gildas; Brenner, Valerie; Gloaguen, Eric; Guillot, Régis; Baltaze, Jean-Pierre; Le Barbu-Debus, Katia; Robin, Sylvie; Zehnacker, Anne; MONS, Michel; Aitken, David J.","Conformation control through concurrent N‒H···S and N‒H···O=C hydrogen bonding and hyperconjugation effects","Chemical Science","2020","","","","","10.1039/D0SC03339A","","neutron","1.54178","CuKα","","0.0743","0.0605","","","0.1656","0.1779","","","","","","1.045","","","","has coordinates","255242","2020-10-21","18:00:00",""
"1558828","8.685","0.003","8.736","0.004","9.845","0.004","93.793","0.012","115.772","0.009","100.572","0.012","652.2","0.5","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 N2 O3 S -","- C13 H16 N2 O3 S -","- C26 H32 N4 O6 S2 -","2","1","","Imani, Zeynab; Mundlapati, V. Rao; Goldsztejn, Gildas; Brenner, Valerie; Gloaguen, Eric; Guillot, Régis; Baltaze, Jean-Pierre; Le Barbu-Debus, Katia; Robin, Sylvie; Zehnacker, Anne; MONS, Michel; Aitken, David J.","Conformation control through concurrent N‒H···S and N‒H···O=C hydrogen bonding and hyperconjugation effects","Chemical Science","2020","","","","","10.1039/D0SC03339A","","x-ray","0.71073","MoKα","","0.0564","0.0377","","","0.0925","0.099","","","","","","1.024","","","","has coordinates","255242","2020-10-21","18:00:00",""
"1558829","9.3649","0.0006","16.1291","0.0011","15.8386","0.0008","90","","103.398","0.002","90","","2327.3","0.2","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N4 O5 S3 -","- C21 H26 N4 O5 S3 -","- C84 H104 N16 O20 S12 -","4","1","","Imani, Zeynab; Mundlapati, V. Rao; Goldsztejn, Gildas; Brenner, Valerie; Gloaguen, Eric; Guillot, Régis; Baltaze, Jean-Pierre; Le Barbu-Debus, Katia; Robin, Sylvie; Zehnacker, Anne; MONS, Michel; Aitken, David J.","Conformation control through concurrent N‒H···S and N‒H···O=C hydrogen bonding and hyperconjugation effects","Chemical Science","2020","","","","","10.1039/D0SC03339A","","x-ray","0.71073","MoKα","","0.0708","0.0376","","","0.0751","0.0802","","","","","","0.997","","","","has coordinates","255242","2020-10-21","18:00:00",""
"1558830","8.336","0.0002","10.178","0.0003","16.326","0.0004","82.284","0.002","76.557","0.002","87.081","0.002","1334.73","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Hydroxy-3,4-dimethoxy-10-methylacridin-9-one","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","2","","Araújo, Rodrigo S. A. de; Zondegoumba, Ernestine N. T.; Tankoua, Whisthler L. D.; Nyassé, Barthelemy; Mendonça, Francisco J. B. F.; De Simone, Carlos A.","1-Hydroxy-3,4-dimethoxy-10-methylacridin-9-one","IUCrData","2020","5","8","x201005","","10.1107/S2414314620010056","","","0.71073","MoKα","","0.0723","0.0567","","","0.1687","0.1837","","","","","","1.06","","","","has coordinates","255258","2020-10-21","18:00:00",""
"1558831","12.0239","0.0006","7.1317","0.0003","12.6836","0.0007","90","","101.104","0.004","90","","1067.27","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-12-Selena-13,14-diazatricyclo[9.3.0.0^2,4^]tetradeca-11,13-diene","","- C11 H16 N2 Se -","- C11 H16 N2 Se -","- C44 H64 N8 Se4 -","4","1","HB4354","Detert, Heiner; Schollmeyer, Dieter","<i>rac</i>-12-Selena-13,14-diazatricyclo[9.3.0.0^2,4^]tetradeca-11,13-diene","IUCrData","2020","5","8","x201081","","10.1107/S2414314620010810","","","0.71073","MoKα","","0.0385","0.0348","","","0.0927","0.0965","","","","","","1.099","","","","has coordinates,has Fobs","255259","2020-10-21","18:00:00",""
"1558832","10.4796","0.0005","14.267","0.0006","17.0118","0.0008","96.742","0.004","90.464","0.004","101.225","0.004","2476.3","0.2","89.9","0.4","89.9","0.4","","","","","","","","9","P -1","-P 1","2","","","","- C30.35 H42.7 Ag Cl0.7 F6 O4 P8 Sb Ta2 -","- C30.35 H42.7 Ag Cl0.7 F6 O4 P8 Sb Ta2 -","- C60.7 H85.4 Ag2 Cl1.4 F12 O8 P16 Sb2 Ta4 -","2","1","","Scheer, Manfred; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Bielmeier, Martin","Use of a cyclo-P4 building block ‒ A Way to Networks of Host-Guest Assemblies","Chemical Science","2020","","","","","10.1039/D0SC03437A","","x-ray","1.54178","CuKα","","0.0907","0.0671","","","0.1705","0.1823","","","","","","0.996","","","","has coordinates,has disorder","255277","2020-10-21","18:00:00",""
"1558833","19.22628","0.00009","19.22628","0.00009","26.5819","0.0002","90","","90","","90","","9826","0.1","89.9","0.4","89.9","0.4","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C15 H21 Ag F6 O2 P4 Sb Ta -","- C15 H21 Ag F6 O2 P4 Sb Ta -","- C240 H336 Ag16 F96 O32 P64 Sb16 Ta16 -","16","2","","Scheer, Manfred; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Bielmeier, Martin","Use of a cyclo-P4 building block ‒ A Way to Networks of Host-Guest Assemblies","Chemical Science","2020","","","","","10.1039/D0SC03437A","","x-ray","1.54178","CuKα","","0.036","0.03","","","0.0611","0.062","","","","","","0.951","","","","has coordinates","255277","2020-10-21","18:00:00",""
"1558834","17.95491","0.00012","22.5635","0.00018","38.3495","0.0004","81.1581","0.0007","78.416","0.0007","73.772","0.0007","14534.6","0.2","80","2","80","2","","","","","","","","11","P -1","-P 1","2","","","","- C164.25 H238.5 Ag8 Cl7.5 F48 N9 O16 P36 Sb8 Se3 Ta8 -","- C164.25 H238.5 Ag8 Cl7.5 F46.995 N9 O16 P36 Sb7.9975 Se3 Ta8 -","- C328.5 H477 Ag16 Cl15 F93.99 N18 O32 P72 Sb15.995 Se6 Ta16 -","2","1","","Scheer, Manfred; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Bielmeier, Martin","Use of a cyclo-P4 building block ‒ A Way to Networks of Host-Guest Assemblies","Chemical Science","2020","","","","","10.1039/D0SC03437A","","x-ray","0.6888","synchrotron","","0.0954","0.0895","","","0.2777","0.2874","","","","","","1.085","","","","has coordinates,has disorder","255277","2020-10-21","18:00:00",""
"1558835","16.5576","0.0006","13.6347","0.0006","35.072","0.0016","90","","90","","90","","7917.8","0.6","173","2","173.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C64 H90 Br6 N14 O10 Zn3 -","- C64 H90 Br6 N14 O10 Zn3 -","- C256 H360 Br24 N56 O40 Zn12 -","4","1","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","","0.71073","MoKα","","0.064","0.0539","","","0.1291","0.1386","","","","","","1.043","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558836","33.1022","0.0015","13.6273","0.0004","16.0057","0.0005","90","","90","","90","","7220.1","0.5","173","2","173.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C60 H78 Br6 N10 O10 Zn3 -","- C60 H78 Br6 N10 O10 Zn3 -","- C240 H312 Br24 N40 O40 Zn12 -","4","0.5","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","","1.54184","CuKα","","0.0829","0.0661","","","0.1293","0.1365","","","","","","1.158","","","","has coordinates,has disorder","257401","2020-10-21","18:00:00",""
"1558837","15.889","0.002","13.4934","0.0013","33.29","0.008","90","","90","","90","","7137","2","100","0.6","100","0.6","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H62 Br6 N6 O8 Zn3 -","- C50 H62 Br6 N6 O8 Zn3 -","- C200 H248 Br24 N24 O32 Zn12 -","4","1","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","x-ray","1.3405","GaKα","","0.1326","0.1125","","","0.2757","0.2923","","","","","","1.088","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558838","15.659","0.003","13.6267","0.0018","32.01","0.002","90","","90","","90","","6830.3","1.6","99.9","0.6","99.9","0.6","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C56 H74 Br6 N6 O14 Zn3 -","- C56 H74 Br6 N6 O14 Zn3 -","- C224 H296 Br24 N24 O56 Zn12 -","4","1","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","x-ray","1.3405","GaKα","","0.1333","0.1275","","","0.2571","0.26","","","","","","1.088","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558839","15.4998","0.0006","25.3392","0.0011","27.2058","0.0008","90","","90","","90","","10685.1","0.7","173","2","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H48 Br6 N8 O6 Zn3 -","- C44 H48 Br6 N8 O6 Zn3 -","- C352 H384 Br48 N64 O48 Zn24 -","8","1","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","","0.71073","MoKα","","0.1292","0.0708","","","0.1452","0.1698","","","","","","1.052","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558840","16.3631","0.0003","13.1544","0.0002","30.779","0.0005","90","","90","","90","","6625.08","0.19","100","0.7","100","0.7","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C56 H74 Br6 N6 O14 Zn3 -","- C56 H74 Br6 N6 O14 Zn3 -","- C224 H296 Br24 N24 O56 Zn12 -","4","1","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","x-ray","1.3405","GaKα","","0.1197","0.1073","","","0.2277","0.2351","","","","","","1.038","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558841","11.942","0.0019","16.17","0.0017","17.035","0.003","63.651","0.015","79.41","0.07","78.27","0.02","2869.7","0.9","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Charles4 (Sinai)","NiAAEMA","","- C100 H122 Ni6 O54 -","- C100 H122 Ni6 O54 -","- C100 H122 Ni6 O54 -","1","0.5","","Zhang, Xinyue; Vidavsky, Yuval; Aharonovich, Sinai; Yang, Steven J.; Buche, Michael R.; Diesendruck, Charles E.; Silberstein, Meredith N.","Bridging experiments and theory: isolating the effects of metal-ligand interactions on viscoelasticity of reversible polymer networks.","Soft matter","2020","16","37","8591","8601","10.1039/d0sm01115k","","","0.71073","MoKα","","0.0754","0.0634","","","0.1499","0.1561","","","","","","1.091","","","","has coordinates,has disorder","258149","2020-10-21","18:00:00",""
"1558842","4.9815","0.0002","30.3259","0.0019","8.9413","0.0004","90","","93.776","0.004","90","","1347.82","0.12","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Nicotineamide adipic","","- C12 H16 N2 O5 -","- C12 H16 N2 O5 -","- C48 H64 N8 O20 -","4","1","","Germann, Luzia S.; Arhangelskis, Mihails; Etter, Martin; Dinnebier, Robert E.; Friščić, Tomislav","Challenging the Ostwald rule of stages in mechanochemical cocrystallisation","Chemical Science","2020","","","","","10.1039/D0SC03629C","powder diffraction","","1.5406","CuKα~1~","","0.99","","","","","","","","5.79","","","","","","","has coordinates","255301","2020-10-21","18:00:00",""
"1558843","21.23","0.002","14.206","0.001","18.083","0.002","90","","124.97","0.004","90","","4469.1","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H72 F10 N2 O Ta2 -","- C32 H72 F10 N2 O Ta2 -","- C128 H288 F40 N8 O4 Ta8 -","4","0.5","","Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric","Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion","Chemical Science","2020","","","","","10.1039/D0SC03665J","","","0.71073","MoKα","","0.0966","0.0439","","","0.076","0.0963","","","","","","1.152","","","","has coordinates,has disorder","255302","2020-10-21","18:00:00",""
"1558844","9.8905","0.0007","14.2131","0.0007","15.3276","0.0015","90","","91.104","0.006","90","","2154.3","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 F6 N Ta -","- C16 H36 F6 N Ta -","- C64 H144 F24 N4 Ta4 -","4","1","","Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric","Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion","Chemical Science","2020","","","","","10.1039/D0SC03665J","","","1.54184","CuKα","","0.0617","0.0539","","","0.1654","0.1771","","","","","","1.163","","","","has coordinates","255302","2020-10-21","18:00:00",""
"1558845","7.8356","0.0009","10.993","0.001","13.558","0.002","90.28","0.01","80.09","0.01","77.836","0.008","1123.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 F10 O Se12 Ta2 -","- C30 H36 F10 O Se12 Ta2 -","- C30 H36 F10 O Se12 Ta2 -","1","0.5","","Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric","Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion","Chemical Science","2020","","","","","10.1039/D0SC03665J","","","0.71073","MoKα","","0.052","0.0287","","","0.0544","0.0617","","","","","","1.087","","","","has coordinates","255302","2020-10-21","18:00:00",""
"1558846","7.813","0.0001","10.96","0.001","13.091","0.001","86.153","0.007","78.048","0.004","77.49","0.01","1070.36","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 F10 O S12 Ta2 -","- C30 H36 F10 O S12 Ta2 -","- C30 H36 F10 O S12 Ta2 -","1","0.5","","Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric","Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion","Chemical Science","2020","","","","","10.1039/D0SC03665J","","","0.71073","MoKα","","0.0561","0.0367","","","0.1062","0.1277","","","","","","1.078","","","","has coordinates","255302","2020-10-21","18:00:00",""
"1558847","12.5633","0.0006","10.7252","0.0009","34.292","0.002","90","","93.226","0.005","90","","4613.3","0.5","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 F10 O S18 Ta2 -","- C30 H30 F10 O S18 Ta2 -","- C120 H120 F40 O4 S72 Ta8 -","4","1","","Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric","Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion","Chemical Science","2020","","","","","10.1039/D0SC03665J","","","1.54184","CuKα","","0.163","0.0952","","","0.2044","0.2456","","","","","","1.046","","","","has coordinates,has disorder","255302","2020-10-21","18:00:00",""
"1558848","12.615","0.001","11.984","0.001","16.747","0.001","90","","90.234","0.009","90","","2531.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H24 F10 O S24 Ta2 -","- C30 H24 F10 O S24 Ta2 -","- C60 H48 F20 O2 S48 Ta4 -","2","0.5","","Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric","Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion","Chemical Science","2020","","","","","10.1039/D0SC03665J","","","0.71073","MoKα","","0.2169","0.065","","","0.074","0.0942","","","","","","0.961","","","","has coordinates,has disorder","255302","2020-10-21","18:00:00",""
"1558849","10.8773","0.0002","12.6267","0.0002","34.4236","0.0008","90","","90","","90","","4727.89","0.16","295","0.3","295","0.3","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 F10 O S18 Ta2 -","- C30 H30 F10 O S18 Ta2 -","- C120 H120 F40 O4 S72 Ta8 -","4","1","","Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric","Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion","Chemical Science","2020","","","","","10.1039/D0SC03665J","","","1.54184","CuKα","","0.0545","0.0438","","","0.1004","0.1072","","","","","","1.067","","","","has coordinates","255302","2020-10-21","18:00:00",""
"1558850","6.9513","0.0019","20.343","0.007","22.59","0.006","90","","90","","90","","3194.5","1.6","100","","100.1","","","","","","","","","4","I m m m","-I 2 2","71","","Ph4PDI_PXX","","- C78 H56 N2 O6 -","- C77 H57 N2 O6 -","- C154 H114 N4 O12 -","2","0.125","","Wasielewski, Michael R.; Schlesinger, Itai; Powers-Riggs, Natalia E; Logsdon, Jenna L.; Qi, Yue; Miller, Stephen A.; Tempelaar, Roel; Young, Ryan Michael","Charge-Transfer Biexciton Annihilation in a Donor-Acceptor Co-crystal yields High-Energy Long-Lived Charge Carriers","Chemical Science","2020","","","","","10.1039/D0SC03301D","","","1.54178","CuKα","","0.138","0.1087","","","0.3982","0.4373","","","","","","1.881","","","","has coordinates,has disorder","255303","2020-10-21","18:00:00",""
"1558851","10.7961","0.0004","11.0539","0.0005","13.2535","0.0006","92.008","0.002","113.595","0.002","110.629","0.002","1327.6","0.1","143","2","143","2","","","","","","","","5","P -1","-P 1","2","[Co(II)(TBDAP)(Hydroxamate)](NO3)","","","- C24 H36 Co N6 O5 -","- C24 H36 Co N6 O5 -","- C48 H72 Co2 N12 O10 -","2","1","","Kwon, Nam; Suh, Jong-Min; Lim, Mi Hee; Hirao, Hajime; Cho, Jaeheung","Mechanistic Insight into Hydroxamate Transfer Reaction Mimicking the Inhibition of Zinc-Containing Enzymes","Chemical Science","2020","","","","","10.1039/D0SC02676J","","","0.71073","MoKa","","0.0519","0.0371","","","0.081","0.0909","","","","","","1.047","","","","has coordinates","255304","2020-10-21","18:00:00",""
"1558852","11.26","0.018","11.588","0.019","14.33","0.02","69.62","0.06","75.44","0.03","80.18","0.07","1689","5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","[Zn(Me3-TACN)(CH3C(O)NHO)](NO3)","","","- C36 H49 B N4 O3 Zn -","- C36 H49 B N4 O3 Zn -","- C72 H98 B2 N8 O6 Zn2 -","2","1","","Kwon, Nam; Suh, Jong-Min; Lim, Mi Hee; Hirao, Hajime; Cho, Jaeheung","Mechanistic Insight into Hydroxamate Transfer Reaction Mimicking the Inhibition of Zinc-Containing Enzymes","Chemical Science","2020","","","","","10.1039/D0SC02676J","","","0.71073","MoKa","","0.082","0.0448","","","0.1129","0.1364","","","","","","0.825","","","","has coordinates","255304","2020-10-21","18:00:00",""
"1558853","9.3137","0.0011","19.52","0.002","13.6482","0.0016","90","","94.3","0.002","90","","2474.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10-(4-([2,2':6',2''-terpyridin]-4'-yl) phenyl)-10H-phenoxazine","","- C33 H22 N4 O -","- C33 H22 N4 O -","- C132 H88 N16 O4 -","4","1","","Shi, Yizhong; Wang, Kai; Tsuchiya, Youichi; Liu, Wei; Komino, Takeshi; Fan, Xiaochun; Sun, Dianming; Dai, Gaole; Chen, Jiaxiong; Zhang, Ming; Zheng, Caijun; Xiong, Shiyun; Ou, Xuemei; Yu, Jia; Jie, Jiansheng; Lee, Chun-Sing; Adachi, Chihaya; Zhang, Xiaohong","Hydrogen bond-modulated molecular packing and its applications in high-performance non-doped organic electroluminescence","Materials Horizons","2020","7","10","2734","2740","10.1039/D0MH00952K","","","0.71073","MoKα","","0.1313","0.052","","","0.1078","0.1381","","","","","","0.981","","","","has coordinates","258150","2020-10-21","18:00:00",""
"1558854","9.449","0.003","10.758","0.003","13.327","0.004","96.653","0.006","98.071","0.006","112.124","0.006","1221.3","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","10-(4-([4,2':6',4''-terpyridin]-4'-yl) phenyl)-10H-phenoxazine","","- C33 H22 N4 O -","- C33 H22 N4 O -","- C66 H44 N8 O2 -","2","1","","Shi, Yizhong; Wang, Kai; Tsuchiya, Youichi; Liu, Wei; Komino, Takeshi; Fan, Xiaochun; Sun, Dianming; Dai, Gaole; Chen, Jiaxiong; Zhang, Ming; Zheng, Caijun; Xiong, Shiyun; Ou, Xuemei; Yu, Jia; Jie, Jiansheng; Lee, Chun-Sing; Adachi, Chihaya; Zhang, Xiaohong","Hydrogen bond-modulated molecular packing and its applications in high-performance non-doped organic electroluminescence","Materials Horizons","2020","7","10","2734","2740","10.1039/D0MH00952K","","","0.71073","MoKα","","0.167","0.06","","","0.1312","0.1638","","","","","","0.896","","","","has coordinates","258150","2020-10-21","18:00:00",""
"1558855","8.7779","0.0003","12.5445","0.0004","14.1754","0.0005","71.713","0.002","82.118","0.002","73.527","0.002","1419.26","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","10-(4-([3,2':6',3''-terpyridin]-4'-yl) phenyl)-10H-phenoxazine","","- C37 H30 N4 O2 -","- C37 H30 N4 O2 -","- C74 H60 N8 O4 -","2","1","","Shi, Yizhong; Wang, Kai; Tsuchiya, Youichi; Liu, Wei; Komino, Takeshi; Fan, Xiaochun; Sun, Dianming; Dai, Gaole; Chen, Jiaxiong; Zhang, Ming; Zheng, Caijun; Xiong, Shiyun; Ou, Xuemei; Yu, Jia; Jie, Jiansheng; Lee, Chun-Sing; Adachi, Chihaya; Zhang, Xiaohong","Hydrogen bond-modulated molecular packing and its applications in high-performance non-doped organic electroluminescence","Materials Horizons","2020","7","10","2734","2740","10.1039/D0MH00952K","","","0.71073","MoKα","","0.099","0.0732","","","0.1943","0.2134","","","","","","1.034","","","","has coordinates","258150","2020-10-21","18:00:00",""
"1558856","12.9977","0.0003","9.61","0.0002","15.9499","0.0004","90","","111.677","0.003","90","","1851.38","0.08","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H44 O7 -","- C42 H44 O7 -","- C84 H88 O14 -","2","1","","Atilaw, Yoseph; Muiva-Mutisya, Lois; Bogaerts, Jonathan; Duffy, Sandra; Valkonen, Arto; Heydenreich, Matthias; Avery, Vicky M.; Rissanen, Kari; Erdélyi, Máté; Yenesew, Abiy","Prenylated Flavonoids from the Roots of <i>Tephrosia rhodesica</i>.","Journal of natural products","2020","83","8","2390","2398","10.1021/acs.jnatprod.0c00245","","","1.54184","CuKα","","0.039","0.0353","","","0.0866","0.0888","","","","","","1.035","","","","has coordinates","255874","2020-10-21","18:00:00",""
"1558857","25.07149","0.00013","25.07149","0.00013","11.09028","0.00007","90","","90","","120","","6037.17","0.06","123","","123","","","","","","","","","2","R 3 :H","R 3","146","","","","- C25 H13 -","- C25 H13 -","- C225 H117 -","9","1","","Zhu, Kaige KZ; Kamochi, Kosuke KK; Kodama, Takuya; Tobisu, Mamoru; Amaya, Toru","Chiral cyclic [n]spirobifluorenylenes: carbon nanorings consisting of helically arranged quaterphenyl rods illustrating partial units of woven patterns","Chemical Science","2020","","","","","10.1039/D0SC02452J","","","1.54184","CuKα","","0.0594","0.0593","","","0.1696","0.1699","","","","","","1.085","","","","has coordinates","255331","2020-10-21","18:00:00",""
"1558858","11.6264","0.0002","30.039","0.0004","26.9101","0.0004","90","","90","","90","","9398.2","0.2","123","","123","","","","","","","","","2","C 2 2 21","C 2c 2","20","","","","- C50 H28 -","- C50 H28 -","- C400 H224 -","8","1","","Zhu, Kaige KZ; Kamochi, Kosuke KK; Kodama, Takuya; Tobisu, Mamoru; Amaya, Toru","Chiral cyclic [n]spirobifluorenylenes: carbon nanorings consisting of helically arranged quaterphenyl rods illustrating partial units of woven patterns","Chemical Science","2020","","","","","10.1039/D0SC02452J","","","1.54184","CuKα","","0.0678","0.0619","","","0.1934","0.1999","","","","","","1.043","","","","has coordinates","255331","2020-10-21","18:00:00",""
"1558859","23.1826","0.0001","23.1826","0.0001","44.5679","0.0005","90","","90","","90","","23952.3","0.3","123","","123","","","","","","","","","2","P 43 21 2","P 4nw 2abw","96","","","","- C132 H78 -","- C132 H78 -","- C1056 H624 -","8","1","","Zhu, Kaige KZ; Kamochi, Kosuke KK; Kodama, Takuya; Tobisu, Mamoru; Amaya, Toru","Chiral cyclic [n]spirobifluorenylenes: carbon nanorings consisting of helically arranged quaterphenyl rods illustrating partial units of woven patterns","Chemical Science","2020","","","","","10.1039/D0SC02452J","","","1.54184","CuKα","","0.0855","0.065","","","0.1795","0.1963","","","","","","1.045","","","","has coordinates","255331","2020-10-21","18:00:00",""
"1558860","5.3477","0.0004","26.6084","0.0018","7.7367","0.0005","90","","106.715","0.002","90","","1054.37","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tetraaquabis(2,3-dihydro-1,4-benzodioxine-2-carboxylato)calcium(II)","","- C18 H22 Ca O12 -","- C18 H22 Ca O12 -","- C36 H44 Ca2 O24 -","2","0.5","HB4355","Camargo-Cortés, Esmit B.; Acosta, Mirna; Martínez, Juan C.; Pineda, Leslie W.","Tetraaquabis(2,3-dihydro-1,4-benzodioxine-2-carboxylato)calcium(II)","IUCrData","2020","5","8","x201092","","10.1107/S2414314620010925","","","0.71073","MoKα","","0.0613","0.057","","","0.1318","0.1332","","","","","","1.385","","","","has coordinates,has Fobs","255344","2020-10-21","18:00:00",""
"1558861","7.5298","0.0004","13.7545","0.0007","14.0687","0.0006","119.276","0.004","101.02","0.006","89.974","0.006","1240.15","0.12","300","","300.15","","","","","","","","","6","P -1","-P 1","2","RbCo[W(CN)8](3CNpy)2_HT_phase","RbCoW_3CNpy_HT_phase","","- C20 H8 Co N12 Rb W -","- C20 H8 Co N12 Rb W -","- C40 H16 Co2 N24 Rb2 W2 -","2","1","","Yoshida, Takaya; Nakabayashi, Koji; Tokoro, Hiroko; Yoshikiyo, Marie; Namai, Asuka; Imoto, Kenta; Chiba, Kouji; Ohkoshi, Shin-ichi","Extremely low-frequency phonon material and its temperature- and photo-induced switching effects","Chemical Science","2020","","","","","10.1039/D0SC02605K","","","0.71073","MoKα","","0.1152","0.0829","","","0.126","0.1352","","","","","","1.14","","","","has coordinates,has disorder","255412","2020-10-21","18:00:00",""
"1558862","7.2253","0.0014","13.34","0.003","13.839","0.003","118.671","0.008","100.497","0.007","90.1","0.006","1144.6","0.4","130","2","130.15","","","","","","","","","6","P -1","-P 1","2","RbCo[W(CN)8](3CNpy)2_LT_phase","RbCoW3CNpy_LT_phase","","- C20 H8 Co N12 Rb W -","- C20 H8 Co N12 Rb W -","- C40 H16 Co2 N24 Rb2 W2 -","2","1","","Yoshida, Takaya; Nakabayashi, Koji; Tokoro, Hiroko; Yoshikiyo, Marie; Namai, Asuka; Imoto, Kenta; Chiba, Kouji; Ohkoshi, Shin-ichi","Extremely low-frequency phonon material and its temperature- and photo-induced switching effects","Chemical Science","2020","","","","","10.1039/D0SC02605K","","","0.71075","MoKα","","0.1424","0.1105","","","0.169","0.1797","","","","","","1.172","","","","has coordinates,has disorder","255412","2020-10-21","18:00:00",""
"1558863","41.171","0.005","41.171","0.005","41.171","0.005","90","","90","","90","","69787","15","100","2","100","2","","","","","","","","8","I 21 3","I 2b 2c 3","199","","","","- C30 H54 Au3 Co2 N6 Na3.33 O45 S6 -","- C30 H54 Au3 Co2 N6 Na3.33333 O43 S6 -","- C360 H648 Au36 Co24 N72 Na40 O516 S72 -","12","0.5","","Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi","Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine","Chemical Science","2020","","","","","10.1039/D0SC03925J","","","","synchrotron","","0.1915","0.097","","","0.2577","0.3054","","","","","","0.885","","","","has coordinates,has disorder","255413","2020-10-21","18:00:00",""
"1558864","41.407","0.003","41.407","0.003","41.407","0.003","90","","90","","90","","70994","9","100","2","100","2","","","","","","","","8","I 21 3","I 2b 2c 3","199","","","","- C30 H54 Au3 Co2 N6 Na3.33 O45 S6 -","- C30 H54 Au3 Co2 N6 Na3.33333 O45 S6 -","- C360 H648 Au36 Co24 N72 Na40 O540 S72 -","12","0.5","","Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi","Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine","Chemical Science","2020","","","","","10.1039/D0SC03925J","","","0.4248","synchrotron","","0.0907","0.0479","","","0.0941","0.1093","","","","","","0.923","","","","has coordinates","255413","2020-10-21","18:00:00",""
"1558865","39.2235","0.0011","39.2235","0.0011","39.2235","0.0011","90","","90","","90","","60345","3","100","2","100","2","","","","","","","","8","I -4 3 d","I -4bd 2c 3","220","","","","- C30 H54 Au3 Co2 N6 Na3.33 O28 S6 -","- C30 H54 Au3 Co2 N6 Na3.33327 O28.0001 S6 -","- C720 H1296 Au72 Co48 N144 Na79.9984 O672.002 S144 -","24","0.5","","Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi","Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine","Chemical Science","2020","","","","","10.1039/D0SC03925J","","","0.4248","synchrotron","","0.0215","0.0213","","","0.0545","0.0548","","","","","","1.081","","","","has coordinates,has disorder","255413","2020-10-21","18:00:00",""
"1558866","48.57","0.008","28.05","0.008","52.051","0.01","90","0.04","97.93","0.04","90","0.03","70236","3","100","2","100","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C378 H613 Au9 Co6 N18 Na10 O301.5 S18 -","- C378 H613 Au9 Co6 N18 Na10 O301.5 S18 -","- C1512 H2452 Au36 Co24 N72 Na40 O1206 S72 -","4","1","","Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi","Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine","Chemical Science","2020","","","","","10.1039/D0SC03925J","","","","synchrotron","","0.1974","0.0809","","","0.1746","0.2033","","","","","","0.866","","","","has coordinates","255413","2020-10-21","18:00:00",""
"1558867","16.896","0.003","9.1399","0.0018","14.033","0.003","90","","90","","90","","2167.1","0.7","300","","300","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cl6 Cs5 Cu3 I2 -","- Cl6 Cs5 Cu3 I2 -","- Cl24 Cs20 Cu12 I8 -","4","0.25","","Jiangwei Li, Takeshi Inoshita, Tianping Ying, Atsushi Ooishi, Junghwan Kim, Hideo Hosono","A Highly Efficient and Stable Blue-Emitting Cs5Cu3Cl6I2 with a 1D Chain Structure","Advanced Materials","2020","","","2002945","","","","x-ray","0.71073","MoKα","","0.0289","0.0278","","","0.0656","0.0662","","","","","","1.245","","","","has coordinates","255446","2020-10-21","18:00:00",""
"1558868","12.3698","0.0015","6.6167","0.0008","11.7758","0.0014","90","","93.553","0.003","90","","962","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Mg N2 O14 -","- C12 H24 Mg N2 O14 -","- C24 H48 Mg2 N4 O28 -","2","0.5","","Shirin, Shana; Roy, Soumendu; Rao, Anish; Pillai, Pramod P.","Accelerated Reduction of 4-Nitrophenol: Bridging Interaction Outplays Reducing Power in the Model Nanoparticle-Catalyzed Reaction","The Journal of Physical Chemistry C","2020","124","35","19157","19165","10.1021/acs.jpcc.0c06237","","","1.54178","CuKα","","0.0418","0.0414","","","0.1124","0.1128","","","","","","0.965","","","","has coordinates","257158","2020-10-21","18:00:00",""
"1558869","13.1605","0.0012","3.6268","0.0003","16.9855","0.0015","90","","93.414","0.005","90","","809.29","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Ca N2 O10 -","- C12 H12 Ca N2 O10 -","- C24 H24 Ca2 N4 O20 -","2","0.5","","Shirin, Shana; Roy, Soumendu; Rao, Anish; Pillai, Pramod P.","Accelerated Reduction of 4-Nitrophenol: Bridging Interaction Outplays Reducing Power in the Model Nanoparticle-Catalyzed Reaction","The Journal of Physical Chemistry C","2020","124","35","19157","19165","10.1021/acs.jpcc.0c06237","","","1.54178","CuKα","","0.0408","0.0402","","","0.1108","0.1113","","","","","","1.079","","","","has coordinates","257158","2020-10-21","18:00:00",""
"1558870","11.3771","0.001","8.7126","0.0006","10.1258","0.0008","90","","107.359","0.009","90","","958","0.14","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 O4 -","- C9 H14 O4 -","- C36 H56 O16 -","4","1","","Das, Jayabrata; Dolui, Pravas; Ali, Wajid; Biswas, Jyoti Prasad; Chandrashekar, Hediyala B.; Prakash, Gaurav; Maiti, Debabrata","A Direct Route to Six and Seven Membered Lactones via γγ-C(sp3)-H Activation: A Simple Protocol to Build Molecular Complexity","Chemical Science","2020","","","","","10.1039/D0SC03144E","","x-ray","0.71073","MoKα","","0.0874","0.0557","","","0.12","0.1444","","","","","","1.053","","","","has coordinates","255461","2020-10-21","18:00:00",""
"1558871","11.4234","0.0004","12.9659","0.0005","15.7183","0.0006","90.714","0.003","97.035","0.003","107.564","0.004","2199.86","0.15","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H66 O12 Pd3 -","- C36 H66 O12 Pd3 -","- C72 H132 O24 Pd6 -","2","1","","Das, Jayabrata; Dolui, Pravas; Ali, Wajid; Biswas, Jyoti Prasad; Chandrashekar, Hediyala B.; Prakash, Gaurav; Maiti, Debabrata","A Direct Route to Six and Seven Membered Lactones via γγ-C(sp3)-H Activation: A Simple Protocol to Build Molecular Complexity","Chemical Science","2020","","","","","10.1039/D0SC03144E","","x-ray","0.71073","MoKα","","0.0437","0.0321","","","0.067","0.0736","","","","","","1.036","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1558872","8.4648","0.0001","15.9282","0.0002","16.6678","0.0002","90","","90","","90","","2247.3","0.05","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Cl N3 O6 -","- C23 H24 Cl N3 O6 -","- C92 H96 Cl4 N12 O24 -","4","1","","Cala, Lara; Villar, Pedro; de Lera, Ángel R.; Fañanás, Francisco J.; Álvarez, Rosana; Rodríguez, Félix","Multicomponent and multicatalytic asymmetric synthesis of furo[2,3-b]pyrrole derivatives: further insights into the mode of action of chiral phosphoric acid catalysts","Chemical Science","2020","","","","","10.1039/D0SC03342A","","x-ray","1.54184","CuKα","","0.0271","0.0266","","","0.0678","0.0683","","","","","","1.069","","","","has coordinates","255462","2020-10-21","18:00:00",""
"1558873","19.0452","0.0004","7.53882","0.00012","18.2425","0.0004","90","","110.706","0.002","90","","2450.04","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cl F3 N2 O3 -","- C24 H36 Cl F3.0009 N2 O3 -","- C96 H144 Cl4 F12.0036 N8 O12 -","4","1","","Rawling, Tristan; MacDermott-Opeskin, Hugo; Roseblade, Ariane; Pazderka, Curtis; Clarke, Callum; Bourget, Kirsi; Wu, Xin; Lewis, William; Noble, Benjamin; Gale, Philip A.; O'Mara, Megan L.; Cranfield, Charles; Murray, Michael","Aryl urea substituted fatty acids: a new class of protonophoric mitochondrial uncoupler that utilises a synthetic anion transporter","Chemical Science","2020","","","","","10.1039/D0SC02777D","","x-ray","1.54184","CuKα","K-L~2,3~","0.0458","0.0394","","","0.1019","0.1066","","","","","","1.066","","","","has coordinates,has disorder","255463","2020-10-21","18:00:00",""
"1558874","10.4481","0.0003","13.0857","0.0004","21.6967","0.0008","90.279","0.003","98.533","0.003","100.758","0.002","2880.37","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H43 Cl F3 N3 O4 -","- C27 H43 Cl F3 N3 O4 -","- C108 H172 Cl4 F12 N12 O16 -","4","2","","Rawling, Tristan; MacDermott-Opeskin, Hugo; Roseblade, Ariane; Pazderka, Curtis; Clarke, Callum; Bourget, Kirsi; Wu, Xin; Lewis, William; Noble, Benjamin; Gale, Philip A.; O'Mara, Megan L.; Cranfield, Charles; Murray, Michael","Aryl urea substituted fatty acids: a new class of protonophoric mitochondrial uncoupler that utilises a synthetic anion transporter","Chemical Science","2020","","","","","10.1039/D0SC02777D","","x-ray","1.54184","CuKα","K-L~2,3~","0.0549","0.0406","","","0.1042","0.1141","","","","","","1.027","","","","has coordinates,has disorder","255463","2020-10-21","18:00:00",""
"1558879","12.7945","0.0018","26.092","0.004","11.4869","0.0016","90","","90","","90","","3834.7","1","297","2","297","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C160 H256 O32 -","8","2","","Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui","Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.","Journal of natural products","2020","83","8","2528","2536","10.1021/acs.jnatprod.0c00628","","","1.54178","CuKα","","0.0679","0.0539","","","0.1447","0.1565","","","","","","1.056","","","","has coordinates","255872","2020-10-21","18:00:00",""
"1558880","7.7113","0.0002","10.3066","0.0002","12.1791","0.0003","90","","97.215","0.001","90","","960.3","0.04","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H32 O4 -","- C21 H32 O4 -","- C42 H64 O8 -","2","1","","Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui","Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.","Journal of natural products","2020","83","8","2528","2536","10.1021/acs.jnatprod.0c00628","","","1.54178","CuKα","","0.0552","0.0507","","","0.1336","0.1382","","","","","","1.081","","","","has coordinates,has disorder","255872","2020-10-21","18:00:00",""
"1558881","7.617","0.0002","11.8104","0.0003","22.6071","0.0006","90","","90","","90","","2033.73","0.09","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 Cl O5 -","- C20 H31 Cl O5 -","- C80 H124 Cl4 O20 -","4","1","","Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui","Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.","Journal of natural products","2020","83","8","2528","2536","10.1021/acs.jnatprod.0c00628","","","1.54178","CuKα","","0.0487","0.0467","","","0.1338","0.1366","","","","","","1.083","","","","has coordinates","255872","2020-10-21","18:00:00",""
"1558882","7.2621","0.0008","12.6474","0.001","10.7864","0.0012","90","","99.188","0.002","90","","977.98","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H34 O5 -","- C21 H34 O5 -","- C42 H68 O10 -","2","1","","Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui","Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.","Journal of natural products","2020","83","8","2528","2536","10.1021/acs.jnatprod.0c00628","","","1.54178","CuKα","","0.0904","0.0627","","","0.1366","0.157","","","","","","1.042","","","","has coordinates","255872","2020-10-21","18:00:00",""
"1558883","25.917","0.003","12.6548","0.0016","13.9501","0.0015","90","","118.868","0.004","90","","4006.7","0.8","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H33 O5.5 -","- C20 H33 O5.5 -","- C160 H264 O44 -","8","2","","Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui","Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.","Journal of natural products","2020","83","8","2528","2536","10.1021/acs.jnatprod.0c00628","","","1.54178","CuKα","","0.1521","0.1038","","","0.2491","0.3021","","","","","","1.067","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1558884","9.4565","0.0005","9.5803","0.0007","22.189","0.0014","90","","90","","90","","2010.2","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C84 H128 O20 -","4","1","","Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui","Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.","Journal of natural products","2020","83","8","2528","2536","10.1021/acs.jnatprod.0c00628","","","1.54178","CuKα","","0.0583","0.0459","","","0.1116","0.1212","","","","","","1.032","","","","has coordinates,has disorder","255872","2020-10-21","18:00:00",""
"1558885","9.8643","0.0019","9.9442","0.0019","10.655","0.002","90","","112.053","0.004","90","","968.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N6 Pt -","- C22 H18 N6 Pt -","- C44 H36 N12 Pt2 -","2","0.5","","Sengupta, Debabrata; Goswami, Sreetosh; Banerjee, Rajdeep; Guberman-Pfeffer, Matthew J.; Patra, Abhijeet; Dutta, Anirban; Pramanick, Rajib; Narasimhan, Shobhana; Pradhan, Narayan; Batista, Victor; Venkatesan, T.; Goswami, Sreebrata","Size-selective Pt siderophores based on redox active azo-aromatic ligands","Chemical Science","2020","","","","","10.1039/D0SC02683B","","","0.71073","MoKα","","0.0294","0.0229","","","0.0612","0.0692","","","","","","0.856","","","","has coordinates","255502","2020-10-21","18:00:00",""
"1558886","9.7658","0.0018","27.696","0.006","20.719","0.004","90","","102.38","0.007","90","","5473.6","1.9","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60 H61 Al Br Cl4 N4 O P -","- C60 H61 Al Br Cl4 N4 O P -","- C240 H244 Al4 Br4 Cl16 N16 O4 P4 -","4","1","","Sigmund, Lukas M.; Greb, Lutz","Reversible OH-Bond Activation and Amphoterism by Metal-Ligand Cooperativity of the Calix[4]pyrrolato Aluminate","Chemical Science","2020","","","","","10.1039/D0SC03602A","","","0.71073","MoKα","","0.0553","0.0472","","","0.1251","0.1338","","","","","","1.079","","","","has coordinates","255503","2020-10-21","18:00:00",""
"1558887","9.776","0.0009","25.127","0.002","11.0644","0.001","90","","90","","90","","2717.9","0.4","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H39 Al N4 O -","- C30 H39 Al N4 O -","- C120 H156 Al4 N16 O4 -","4","1","","Sigmund, Lukas M.; Greb, Lutz","Reversible OH-Bond Activation and Amphoterism by Metal-Ligand Cooperativity of the Calix[4]pyrrolato Aluminate","Chemical Science","2020","","","","","10.1039/D0SC03602A","","","0.71073","MoKα","","0.0471","0.0364","","","0.0792","0.0852","","","","","","1.035","","","","has coordinates","255503","2020-10-21","18:00:00",""
"1558888","16.4547","0.0015","19.5818","0.0018","23.333","0.002","108.507","0.005","108.814","0.005","92.156","0.005","6665.9","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C160 H124 Ce Lu2 N17 O21 -","- C160 H124 Ce Lu2 N17 O21 -","- C320 H248 Ce2 Lu4 N34 O42 -","2","1","","Macaluso, Emilio; Rubin, Marcos; Aguilà, David; Chiesa, Alessandro; Barrios, Leoní Alejandra; Martínez, Jesús Ignacio; Alonso, Pablo Javier; Roubeau, Olivier; Luis, Fernando; Aromi, Guillem; Carretta, Stefano","A heterometallic [LnLn’Ln] lanthanide complex as a qubit with embedded quantum error correction","Chemical Science","2020","","","","","10.1039/D0SC03107K","","","0.71073","MoKα","","0.0779","0.0495","","","0.1229","0.1436","","","","","","1.051","","","","has coordinates","255504","2020-10-21","18:00:00",""
"1558889","16.218","0.002","19.459","0.003","23.331","0.003","108.404","0.006","108.158","0.005","91.61","0.006","6572.8","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C160 H124 Er2 La N17 O21 -","- C135 H99 Er2 La N12 O21 -","- C270 H198 Er4 La2 N24 O42 -","2","1","","Macaluso, Emilio; Rubin, Marcos; Aguilà, David; Chiesa, Alessandro; Barrios, Leoní Alejandra; Martínez, Jesús Ignacio; Alonso, Pablo Javier; Roubeau, Olivier; Luis, Fernando; Aromi, Guillem; Carretta, Stefano","A heterometallic [LnLn’Ln] lanthanide complex as a qubit with embedded quantum error correction","Chemical Science","2020","","","","","10.1039/D0SC03107K","","","0.7749","synchrotron","","0.1661","0.108","","","0.273","0.3049","","","","","","1.103","","","","has coordinates","255504","2020-10-21","18:00:00",""
"1558890","18.2166","0.0007","18.5973","0.001","7.8095","0.0002","90","","97.881","0.002","90","","2620.71","0.19","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 N3 O4 -","- C34 H29 N3 O4 -","- C136 H116 N12 O16 -","4","1","","Harding, Cayley R.; Cann, Jonathan; Laventure, Audrey; Sadeghianlemraski, Mozhgan; Abd-Ellah, Marwa; Rao, Keerthan R.; Gelfand, Benjamin Sidney; Aziz, Hany; Kaake, Loren; Risko, Chad; Welch, Gregory C.","Acid dyeing for green solvent processing of solvent resistant semiconducting organic thin films","Materials Horizons","2020","7","11","2959","2969","10.1039/D0MH00785D","","","1.54178","CuKα","","0.0639","0.0581","","","0.1587","0.1639","","","","","","1.026","","","","has coordinates","258996","2020-11-06","13:24:46",""
"1558891","7.1184","0.0008","28.602","0.003","5.6452","0.0007","90","","90","","90","","1149.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","1-((2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl) -3-methyltetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H) -dione hemihydrate","","- C10 H15 N2 O6.5 -","- C10 H15 N2 O6.5 -","- C40 H60 N8 O26 -","4","1","","Dance, Zachary E. X.; Crawford, Morgan; Moment, Aaron; Brunskill, Andrew; Wabuyele, Busolo","Kinetics, Thermodynamics, and Scale-Up of an Azeotropic Drying Process: Mapping Rapid Phase Conversion with Process Analytical Technology","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00275","","","1.54178","CuKα","","0.0314","0.0309","","","0.0809","0.0814","","","","","","1.109","","","","has coordinates","255565","2020-10-21","18:00:00",""
"1558892","7.2564","0.0006","10.1171","0.0008","17.2505","0.0014","90","","90","","90","","1266.42","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-((2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl) -3-methyltetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H) -dione dihydrate","","- C10 H18 N2 O8 -","- C10 H18 N2 O8 -","- C40 H72 N8 O32 -","4","1","","Dance, Zachary E. X.; Crawford, Morgan; Moment, Aaron; Brunskill, Andrew; Wabuyele, Busolo","Kinetics, Thermodynamics, and Scale-Up of an Azeotropic Drying Process: Mapping Rapid Phase Conversion with Process Analytical Technology","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00275","","","1.54178","CuKα","","0.0226","0.0226","","","0.0602","0.0602","","","","","","1.079","","","","has coordinates","255566","2020-10-21","18:00:00",""
"1558893","7.1273","0.0004","9.0099","0.0005","17.154","0.0009","90","","90","","90","","1101.57","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-((2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl) -3-methyltetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione","","- C10 H14 N2 O6 -","- C10 H14 N2 O6 -","- C40 H56 N8 O24 -","4","1","","Dance, Zachary E. X.; Crawford, Morgan; Moment, Aaron; Brunskill, Andrew; Wabuyele, Busolo","Kinetics, Thermodynamics, and Scale-Up of an Azeotropic Drying Process: Mapping Rapid Phase Conversion with Process Analytical Technology","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00275","","","1.54178","CuKα","","0.0219","0.0218","","","0.0572","0.0573","","","","","","1.045","","","","has coordinates","255567","2020-10-21","18:00:00",""
"1558894","25.6854","0.001","20.829","0.0009","40.6993","0.0018","90","","90","","90","","21774.2","1.6","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C112 H151 Cr2 N9 O6 P4 -","- C112 H150 Cr2 N9 O6 P4 -","- C896 H1200 Cr16 N72 O48 P32 -","8","1","","Birchall, Nicholas; Feil, Christoph M.; Gediga, Michael; Nieger, Martin; Gudat, Dietrich","Reversible Cooperative Dihydrogen Binding and Transfer with a Bis-Phosphenium Complex of Chromium","Chemical Science","2020","","","","","10.1039/D0SC03773G","","","0.71073","MoKα","","0.2201","0.0827","","","0.1721","0.2301","","","","","","0.979","","","","has coordinates","255569","2020-10-21","18:00:00",""
"1558895","12.5935","0.0003","16.7577","0.0004","21.329","0.0005","95.414","0.001","99.551","0.001","92.236","0.001","4412.18","0.18","135","2","135","2","","","","","","","","8","P -1","-P 1","2","","","","- C87 H85 B Cr F24 N4 O3 P2 -","- C87 H85 B Cr F24 N4 O3 P2 -","- C174 H170 B2 Cr2 F48 N8 O6 P4 -","2","1","","Birchall, Nicholas; Feil, Christoph M.; Gediga, Michael; Nieger, Martin; Gudat, Dietrich","Reversible Cooperative Dihydrogen Binding and Transfer with a Bis-Phosphenium Complex of Chromium","Chemical Science","2020","","","","","10.1039/D0SC03773G","","","1.54178","CuKα","","0.0601","0.0434","","","0.1033","0.1126","","","","","","1.023","","","","has coordinates,has disorder","255569","2020-10-21","18:00:00",""
"1558896","17.9616","0.0007","7.6761","0.0003","21.5205","0.0009","90","","90","","90","","2967.1","0.2","110","2","109.99","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C144 H160 O16 -","8","2","","Shahni, Rahul K.; Mabin, Micah; Wang, Zhihan; Shaik, Muneer; Ugrinov, Angel; Chu, Qianli R.","Synthesis and characterization of BPA-free polyesters by incorporating a semi-rigid cyclobutanediol monomer","Polymer Chemistry","2020","11","37","6081","6090","10.1039/D0PY01098G","","","1.54178","CuKα","","0.0825","0.0782","","","0.204","0.2071","","","","","","1.082","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1558897","8.48738","0.00006","8.60757","0.00006","25.91521","0.00018","90","","90","","90","","1893.25","0.02","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C80 H136 O16 -","4","1","","Du, Min; An, Lijun; Xu, Jing; Guo, Yuanqiang","Euphnerins A and B, Diterpenoids with a 5/6/6 Rearranged Spirocyclic Carbon Skeleton from the Stems of <i>Euphorbia neriifolia</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00249","","x-ray","1.54184","CuKα","","0.0282","0.0279","","","0.0741","0.0744","","","","","","1.059","","","","has coordinates","255588","2020-10-21","18:00:00",""
"1558901","21.966","0.003","21.966","0.003","21.966","0.003","90","","90","","90","","10599","3","110","2","110","2","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C48 H20 Fe6 N6 O32 -","- C48 H19.98 Fe6 N6 O32 -","- C192 H79.92 Fe24 N24 O128 -","4","0.166667","","Gopalsamy, Karuppasamy; Babarao, Ravichandar","Heterometallic Metal Organic Frameworks for Air Separation: A Computational Study","Industrial & Engineering Chemistry Research","2020","59","35","15718","15731","10.1021/acs.iecr.0c02449","","","0.71073","MoKα","","0.0381","0.0332","","","0.0837","0.0856","","","","","","1","","","","has coordinates","257105","2020-10-21","18:00:00",""
"1558902","46.45","0.005","46.45","0.005","46.45","0.005","90","","90","","90","","100221","19","293","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","DUT-147","","- C44 H20 Cu2 N2 O10 -","- C44 H20 Cu2 N2 O10 -","- C1056 H480 Cu48 N48 O240 -","24","0.125","","Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan","Engineering micromechanics of soft porous crystals for negative gas adsorption","Chemical Science","2020","","","","","10.1039/D0SC03727C","","x-ray","0.89499","synchrotron","","0.1082","0.0626","","","0.1862","0.2344","","","","","","0.981","","","","has coordinates,has disorder","255612","2020-10-21","18:00:00",""
"1558903","49.76","0.006","49.76","0.006","49.76","0.006","90","","90","","90","","123209","3","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","DUT-161","","- C42 H22 Cu2 N2 O10 -","- C42 H22 Cu2 N2 O10 -","- C1008 H528 Cu48 N48 O240 -","24","0.125","","Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan","Engineering micromechanics of soft porous crystals for negative gas adsorption","Chemical Science","2020","","","","","10.1039/D0SC03727C","","x-ray","0.89499","synchrotron","","0.0869","0.0555","","","0.1714","0.2094","","","","","","1.016","","","","has coordinates,has disorder","255612","2020-10-21","18:00:00",""
"1558904","23.11","0.003","23.11","0.003","49.6","0.01","90","","90","","120","","22941","6","293","2","296","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","DUT-159","","- C36 H20 Cu2 N2 O10 -","- C36 H20 Cu2 N2 O10 -","- C324 H180 Cu18 N18 O90 -","9","0.25","","Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan","Engineering micromechanics of soft porous crystals for negative gas adsorption","Chemical Science","2020","","","","","10.1039/D0SC03727C","","x-ray","0.89499","synchrotron","","0.0745","0.0579","","","0.2003","0.2252","","","","","","0.972","","","","has coordinates","255612","2020-10-21","18:00:00",""
"1558905","49.59","0.006","49.59","0.006","49.59","0.006","90","","90","","90","","121950","3","293","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","DUT-162","","- C42 H24 Cu2 N2 O10 -","- C42 H24 Cu2 N2 O10 -","- C1008 H576 Cu48 N48 O240 -","24","0.125","","Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan","Engineering micromechanics of soft porous crystals for negative gas adsorption","Chemical Science","2020","","","","","10.1039/D0SC03727C","","x-ray","0.89499","synchrotron","","0.1467","0.067","","","0.1932","0.2603","","","","","","0.917","","","","has coordinates,has disorder","255612","2020-10-21","18:00:00",""
"1558906","46.54","0.005","46.54","0.005","46.54","0.005","90","","90","","90","","100804","19","293","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","DUT-148","","- C42 H22 Cu2 N2 O10 -","- C42 H22 Cu2 N2 O10 -","- C1008 H528 Cu48 N48 O240 -","24","0.125","","Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan","Engineering micromechanics of soft porous crystals for negative gas adsorption","Chemical Science","2020","","","","","10.1039/D0SC03727C","","x-ray","0.89499","synchrotron","","0.1102","0.0676","","","0.2043","0.249","","","","","","1.021","","","","has coordinates,has disorder","255612","2020-10-21","18:00:00",""
"1558907","50.11","0.006","50.11","0.006","50.11","0.006","90","","90","","90","","125827","3","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","DUT-160","","- C42 H20 Cu2 N2 O10 -","- C42 H20 Cu2 N2 O10 -","- C1008 H480 Cu48 N48 O240 -","24","0.125","","Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan","Engineering micromechanics of soft porous crystals for negative gas adsorption","Chemical Science","2020","","","","","10.1039/D0SC03727C","","x-ray","0.89499","synchrotron","","0.0755","0.0577","","","0.1921","0.2254","","","","","","1.083","","","","has coordinates,has disorder","255612","2020-10-21","18:00:00",""
"1558908","12.6462","0.0001","17.8817","0.0001","25.2987","0.0002","90","","90","","90","","5720.94","0.07","150","2","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2R,2'R)-2,2'-((3,7-dimethoxybenzo[1,2-b:4,5-b']dithiophene-2,6-dicarbonyl)bis(azanediyl))bis(3-(tritylthio)propanoic acid)","","- C61.2 H52.8 F4.8 N2 O9.6 S4 -","- C61.2 H52.8 F4.8 N2 O9.6 S4 -","- C244.8 H211.2 F19.2 N8 O38.4 S16 -","4","1","","Gianga, Tiberiu-M; Audibert, Edwige; Trandafir, Anamaria; Kociok-Köhn, Gabriele; Pantoș, G. Dan","Discovery of an all-donor aromatic [2]catenane","Chemical Science","2020","","","","","10.1039/D0SC04317F","","x-ray","1.54184","CuKα","","0.0404","0.0378","","","0.0962","0.0984","","","","","","1.034","","","","has coordinates,has disorder","255613","2020-10-21","18:00:00",""
"1558913","7.7182","0.0004","9.1941","0.0006","9.1951","0.0006","66.644","0.006","73.063","0.005","84.331","0.005","572.95","0.07","290","2","290","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","1","0.5","","Macdonald, Joshua W. R.; Piana, Giacomo; Comin, Massimiliano; von Hauff, Elizabeth; Kociok-Köhn, Gabriele; Bowen, Chris; Lagoudakis, Pavlos; D'Avino, Gabriele; Da Como, Enrico","Charge transfer excitons in a donor‒acceptor amphidynamic crystal: the role of dipole orientational order","Materials Horizons","2020","7","11","2951","2958","10.1039/D0MH01044H","","x-ray","1.54184","CuKα","","0.0633","0.059","","","0.1757","0.1834","","","","","","1.067","","","","has coordinates","258997","2020-11-06","13:25:00",""
"1558914","9.9529","0.0005","10.0251","0.0004","12.5133","0.0006","85.623","0.004","73.77","0.004","68.865","0.004","1117.75","0.1","150","2","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","- C56 H24 Br8 O6 -","2","1","","Macdonald, Joshua W. R.; Piana, Giacomo; Comin, Massimiliano; von Hauff, Elizabeth; Kociok-Köhn, Gabriele; Bowen, Chris; Lagoudakis, Pavlos; D'Avino, Gabriele; Da Como, Enrico","Charge transfer excitons in a donor‒acceptor amphidynamic crystal: the role of dipole orientational order","Materials Horizons","2020","7","11","2951","2958","10.1039/D0MH01044H","","x-ray","1.54184","CuKα","","0.0427","0.0411","","","0.1081","0.1104","","","","","","1.056","","","","has coordinates","258997","2020-11-06","13:25:03",""
"1558915","8.38","0.005","17.031","0.01","14.817","0.009","90","","93.868","0.01","90","","2110","2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cu F6 N5 O5 Zr -","- C13 H15 Cu F6 N5 O5 Zr -","- C52 H60 Cu4 F24 N20 O20 Zr4 -","4","1","","Huang, Yuhang; Xu, Yun; Zheng, Baishu; Wang, Zhaoxu; Dong, Qiubing; Duan, Jingui","Molecular Sieving of C2H4 from C2H2 by a Supramolecular Porous Material","Energy & Fuels","2020","","","","","10.1021/acs.energyfuels.0c01958","","","0.71073","MoKα","","0.1271","0.0787","","","0.1991","0.2274","","","","","","1.034","","","","has coordinates","255664","2020-10-21","18:00:00",""
"1558916","7.3771","0.0002","12.8589","0.0003","8.6273","0.0002","90","","91.272","0.001","90","","818.2","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C34 H44 O12 -","2","1","","Tang, Shuang; Zhang, Xin-Tian; Ma, Yun-Bao; Huang, Xiao-Yan; Geng, Chang-An; Li, Tian-Ze; Zhang, Xue-Mei; Shen, Cheng; Su, Li-Hua; Gao, Zhen; Chen, Ji-Jun","Artemyrianolides A‒S, Cytotoxic Sesquiterpenoids from Artemisia myriantha","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00396","","","1.54178","CuKα","","0.0256","0.0255","","","0.0656","0.0657","","","","","","1.062","","","","has coordinates","255667","2020-10-21","18:00:00",""
"1558917","5.6085","0.0002","15.2308","0.0004","7.9538","0.0002","90","","98.2","0.001","90","","672.48","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C30 H40 O8 -","2","1","","Tang, Shuang; Zhang, Xin-Tian; Ma, Yun-Bao; Huang, Xiao-Yan; Geng, Chang-An; Li, Tian-Ze; Zhang, Xue-Mei; Shen, Cheng; Su, Li-Hua; Gao, Zhen; Chen, Ji-Jun","Artemyrianolides A‒S, Cytotoxic Sesquiterpenoids from Artemisia myriantha","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00396","","","1.54178","CuKα","","0.0265","0.0265","","","0.0692","0.0692","","","","","","1.084","","","","has coordinates","255668","2020-10-21","18:00:00",""
"1558918","8.4795","0.0002","10.1279","0.0003","15.4669","0.0004","90","","90","","90","","1328.29","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Tang, Shuang; Zhang, Xin-Tian; Ma, Yun-Bao; Huang, Xiao-Yan; Geng, Chang-An; Li, Tian-Ze; Zhang, Xue-Mei; Shen, Cheng; Su, Li-Hua; Gao, Zhen; Chen, Ji-Jun","Artemyrianolides A‒S, Cytotoxic Sesquiterpenoids from Artemisia myriantha","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00396","","","1.54178","CuKα","","0.0301","0.0298","","","0.1054","0.106","","","","","","1.013","","","","has coordinates","255669","2020-10-21","18:00:00",""
"1558928","7.39944","0.00005","11.11572","0.00008","15.42283","0.0001","90","","90","","90","","1268.53","0.015","123.01","0.1","123.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 O7 -","- C11 H18 O7 -","- C44 H72 O28 -","4","1","","Zandi, Linda; Makungu, Marco; Munissi, Joan J. E.; Duffy, Sandra; Puttreddy, Rakesh; von der Heiden, Daniel; Rissanen, Kari; Avery, Vicky M.; Nyandoro, Stephen S.; Erdélyi, Máté","Secoiridoids and Iridoids from <i>Morinda asteroscepa</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00447","","x-ray","1.54184","CuKα","","0.0299","0.0299","","","0.0783","0.0784","","","","","","1.13","","","","has coordinates","255719","2020-10-21","18:00:00",""
"1558929","12.6795","0.0003","19.6724","0.0004","21.4947","0.0004","90","","97.371","0.001","90","","5317.25","0.19","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H43 B F24 N Ni O P -","- C51 H43 B F24 N Ni O P -","- C204 H172 B4 F96 N4 Ni4 O4 P4 -","4","1","","Cui, Lei; Jian, Zhongbao","A N-bridged strategy enables hemilabile phosphine‒carbonyl palladium and nickel catalysts to mediate ethylene polymerization and copolymerization with polar vinyl monomers","Polymer Chemistry","2020","11","38","6187","6193","10.1039/D0PY01106A","","","1.54178","CuKα","","0.0632","0.0553","","","0.1392","0.1475","","","","","","1.003","","","","has coordinates,has disorder","258993","2020-11-06","13:22:37",""
"1558930","8.633","0.0004","10.4214","0.0005","16.3267","0.0008","78.073","0.001","86.924","0.001","70.447","0.001","1354.1","0.11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H25 Cl N O3 P Pd -","- C23 H25 Cl N O3 P Pd -","- C46 H50 Cl2 N2 O6 P2 Pd2 -","2","1","","Cui, Lei; Jian, Zhongbao","A N-bridged strategy enables hemilabile phosphine‒carbonyl palladium and nickel catalysts to mediate ethylene polymerization and copolymerization with polar vinyl monomers","Polymer Chemistry","2020","11","38","6187","6193","10.1039/D0PY01106A","","","0.71073","MoKα","","0.0441","0.0408","","","0.1023","0.105","","","","","","0.996","","","","has coordinates","258993","2020-11-06","13:22:37",""
"1558931","6.7463","0.0003","9.036","0.0004","9.3954","0.0004","81.005","0.002","85.099","0.002","88.7","0.002","563.6","0.04","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(4-Ethoxy-2,5-dinitrophenyl)acetamide","","- C10 H11 N3 O6 -","- C10 H11 N3 O6 -","- C20 H22 N6 O12 -","2","1","HB4359","Uppu, Sannihith N.; Agu, Ogad A.; Deere, Curtistine J.; Fronczek, Frank R.","<i>N</i>-(4-Ethoxy-2,5-dinitrophenyl)acetamide","IUCrData","2020","5","8","x201121","","10.1107/S2414314620011219","","","0.71073","MoKα","","0.0481","0.0375","","","0.1043","0.1111","","","","","","1.041","","","","has coordinates,has Fobs","255748","2020-10-21","18:00:00",""
"1558935","13.4672","0.0004","5.79643","0.00015","20.7574","0.0006","90","","97.299","0.003","90","","1607.23","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Benzyl-N5-cyclopropyl-N3-methyl-2-oxo-1,2-dihydropyridine-3,5-dicarboxamide","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C72 H76 N12 O12 -","4","1","","Seal, Jonathan T.; Atkinson, Stephen J.; Aylott, Helen; Bamborough, Paul; Chung, Chun-Wa; Copley, Royston C. B.; Gordon, Laurie; Grandi, Paola; Gray, James R. J.; Harrison, Lee A.; Hayhow, Thomas G.; Lindon, Matthew; Messenger, Cassie; Michon, Anne-Marie; Mitchell, Darren; Preston, Alex; Prinjha, Rab K.; Rioja, Inmaculada; Taylor, Simon; Wall, Ian D.; Watson, Robert J.; Woolven, James M.; Demont, Emmanuel H.","The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.0c00796","","","1.54178","CuKα","","0.0566","0.0384","","","0.0861","0.094","","","","","","1.032","","","","has coordinates","255764","2020-10-21","18:00:00",""
"1558936","6.30648","0.00011","11.9372","0.0002","26.4614","0.0005","90","","90","","90","","1992.06","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C96 H84 N12 O12 -","4","1","","Qin, Le; Yi, Wenwen; Lian, Xiao-Yuan; Zhang, Zhizhen","Bioactive Alkaloids from the Actinomycete Actinoalloteichus sp. ZZ1866","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00588","","x-ray","1.54184","CuKα","","0.0314","0.0309","","","0.0803","0.0808","","","","","","1.046","","","","has coordinates","255765","2020-10-21","18:00:00",""
"1558937","15.87","0.015","5.876","0.003","9.159","0.005","90","","99.55","0.02","90","","842.3","1","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H22 Ca O14 -","- C12 H22 Ca O14 -","- C24 H44 Ca2 O28 -","2","0.5","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","","0.71073","MoKα","","0.1997","0.1313","","","0.2838","0.3286","","","","","","1.136","","","","has coordinates","258992","2020-11-06","13:22:21",""
"1558938","17.8169","0.0005","14.6327","0.0004","17.7916","0.0005","90","","93.5001","0.0014","90","","4629.8","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H64 Cl2 N4 Rh2 Si2 -","- C43 H64 Cl2 N4 Rh2 Si2 -","- C172 H256 Cl8 N16 Rh8 Si8 -","4","0.5","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","","0.71073","MoKα","","0.0234","0.0213","","","0.0527","0.0535","","","","","","1.047","","","","has coordinates,has disorder","258992","2020-11-06","13:22:21",""
"1558939","7.1992","0.0005","9.338","0.0006","15.7215","0.0011","89.392","0.003","81.1228","0.0019","75.73","0.002","1011.6","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H31 B Cl N2 Rh Si -","- C18 H31 B Cl N2 Rh Si -","- C36 H62 B2 Cl2 N4 Rh2 Si2 -","2","1","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","","0.71073","MoKα","","0.0498","0.0425","","","0.0833","0.0856","","","","","","1.129","","","","has coordinates","258992","2020-11-06","13:22:21",""
"1558940","15.2108","0.0001","24.5048","0.0002","9.7034","0.0001","90","","90","","90","","3616.82","0.05","150","2","150.01","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C37 H58 N O2 Sc Si -","- C37 H58 N O2 Sc Si -","- C148 H232 N4 O8 Sc4 Si4 -","4","1","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","x-ray","1.54184","CuKα","","0.0546","0.0522","","","0.14","0.1432","","","","","","1.044","","","","has coordinates,has disorder","258992","2020-11-06","13:22:21",""
"1558941","13.0882","0.0002","14.3825","0.0002","14.3203","0.0002","90","","104.34","0.001","90","","2611.68","0.07","150","2","150.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H41 Al Cl N O Si -","- C25 H41 Al Cl N O Si -","- C100 H164 Al4 Cl4 N4 O4 Si4 -","4","1","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","x-ray","1.54184","CuKα","","0.0502","0.0462","","","0.1285","0.1322","","","","","","1.029","","","","has coordinates","258992","2020-11-06","13:22:21",""
"1558942","11.597","0.0001","16.9523","0.0002","18.292","0.0002","90","","103.407","0.001","90","","3498.13","0.07","150","2","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 N O2 Sc Si -","- C36 H56 N O2 Sc Si -","- C144 H224 N4 O8 Sc4 Si4 -","4","1","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","x-ray","1.54184","CuKα","","0.0367","0.0338","","","0.0945","0.097","","","","","","1.063","","","","has coordinates","258992","2020-11-06","13:22:21",""
"1558943","14.9848","0.0009","15.2025","0.0003","17.316","0.0004","89.817","0.002","84.546","0.003","78.504","0.003","3847.6","0.3","150","2","150","0.16","","","","","","","","6","P -1","-P 1","2","","","","- C39 H62 Al N O2 Si -","- C39 H62 Al N O2 Si -","- C156 H248 Al4 N4 O8 Si4 -","4","2","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","x-ray","1.54184","CuKα","","0.0998","0.077","","","0.1645","0.1778","","","","","","1.079","","","","has coordinates,has disorder","258992","2020-11-06","13:22:21",""
"1558944","10.2397","0.0004","10.9358","0.0004","12.4015","0.0004","89.006","0.003","85.166","0.003","67.359","0.004","1276.96","0.09","150","2","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C25 H41 Cl N O Sc Si -","- C25 H41 Cl N O Sc Si -","- C50 H82 Cl2 N2 O2 Sc2 Si2 -","2","1","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","x-ray","1.54184","CuKα","","0.0353","0.0337","","","0.091","0.0924","","","","","","1.042","","","","has coordinates","258992","2020-11-06","13:22:21",""
"1558945","23.7263","0.0004","10.4153","0.0002","21.6239","0.0003","90","","106.991","0.002","90","","5110.38","0.16","150","2","150.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H74 Cl2 N2 O2 Sc2 Si2 -","- C54 H74 Cl2 N2 O2 Sc2 Si2 -","- C216 H296 Cl8 N8 O8 Sc8 Si8 -","4","0.5","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","x-ray","1.54184","CuKα","","0.0352","0.0327","","","0.0923","0.0945","","","","","","1.065","","","","has coordinates","258992","2020-11-06","13:22:21",""
"1558946","9.115","0.0005","11.4654","0.0005","18.1231","0.001","75.161","0.004","84.213","0.004","69.169","0.004","1711.05","0.16","150","2","150","0.16","","","","","","","","6","P -1","-P 1","2","","","","- C33 H50 Al N O2 Si -","- C33 H50 Al N O2 Si -","- C66 H100 Al2 N2 O4 Si2 -","2","1","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","x-ray","1.54184","CuKα","","0.0726","0.0523","","","0.1311","0.148","","","","","","0.977","","","","has coordinates","258992","2020-11-06","13:22:21",""
"1558948","11.0195","0.0002","11.0195","0.0002","11.0195","0.0002","90","","90","","90","","1338.09","0.04","","","298","","","","100","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","(Sr0.75Bi0.25)2Bi2O6.83","","","- Bi2.5 O6.83 Sr1.5 -","- Bi2.5 O9.32 Sr1.5 -","- Bi20 O74.56 Sr12 -","8","0.0416667","","Saiduzzaman, M.; Hossain, K.M.; Kumada, N.; Yanagida, S.; Takei, T.; Hanada, Y.; Nagao, M.; Azuma, M.","Hydrothermal synthesis and crystal structure of a mixed-valence pyrochlore-type strontium bismuthate, (Sr0.75Bi0.25)2Bi2O6.83","Journal of the Ceramic Society of Japan","2020","128","","660","663","10.2109/jcersj2.20115","","","","","","","","","","","","","","","","","","","","","has coordinates","255776","2020-10-21","18:00:00",""
"1558952","12.498","0.012","13.717","0.014","22.91","0.02","102.965","0.012","101.501","0.014","99.116","0.018","3665","6","120","2","120.35","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H58 Co N4 O27 S20 -","- C56 H58 Co N4 O27 S20 -","- C112 H116 Co2 N8 O54 S40 -","2","1","","Shen, Yongbing; Yamashita, Masahiro; Breedlove, Brian. K.; Herrmann, Carmen; Uchida, Kaiji; Cosquer, Goulven; Ishikawa, Manabu; Otsuka, Akihiro; Yoshina, Shinji K.; Yoshida, Takefumi; Yamochi, Hideki; Katagiri, Seiu; Ito, Hiroshi; Zhang, Haitao","Simultaneous Manifestations of Metallic Conductivity and Single-Molecule Magnetism in a Layered Molecule-based Compound","Chemical Science","2020","","","","","10.1039/D0SC04040A","","","0.71075","MoKα","","0.119","0.0711","","","0.1751","0.2209","","","","","","1.0266","","","","has coordinates","255788","2020-10-21","18:00:00",""
"1558957","11.2099","0.0001","17.2004","0.0002","21.3573","0.0002","90","","98.838","0.001","90","","4069.11","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H63 O2.5 P2 -","- C44 H63 O2.5 P2 -","- C176 H252 O10 P8 -","4","1","","Qiu, Haile; Dai, Qiang; He, Jiafeng; Li, Wenbo; Zhang, Junliang","Access to P-Chiral sec- and tert-Phosphine Oxides Enabled by Le-Phos-Catalyzed Asymmetric Kinetic Resolution","Chemical Science","2020","","","","","10.1039/D0SC04041J","","x-ray","1.54184","CuKα","","0.0269","0.0267","","","0.0701","0.0702","","","","","","1.028","","","","has coordinates","255810","2020-10-21","18:00:00",""
"1558958","7.7202","0.0004","21.9059","0.0012","9.0867","0.0006","90","","98.1207","0.0017","90","","1521.31","0.15","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 B10 -","- C11 H20 B10 -","- C44 H80 B40 -","4","1","","Zhang, Jie; Tang, Cen; Xie, Zuowei","Magnesium-Mediated sp3 C-H Activation in Cascade Cyclization of 1-Arylethynyl-2-Alkyl-o-Carboranes: Efficient Synthesis of Carborane-Fused Cyclopentanes","Chemical Science","2020","","","","","10.1039/D0SC04465B","","","0.71073","MoKα","","0.0747","0.0701","","","0.1889","0.1936","","","","","","1.054","","","","has coordinates","255811","2020-10-21","18:00:00",""
"1558959","18.2149","0.0007","8.1437","0.0004","12.0108","0.0004","90","","90","","90","","1781.64","0.13","298","2","298","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C13 H24 B10 -","- C13 H24 B10 -","- C52 H96 B40 -","4","1","","Zhang, Jie; Tang, Cen; Xie, Zuowei","Magnesium-Mediated sp3 C-H Activation in Cascade Cyclization of 1-Arylethynyl-2-Alkyl-o-Carboranes: Efficient Synthesis of Carborane-Fused Cyclopentanes","Chemical Science","2020","","","","","10.1039/D0SC04465B","","","0.71073","MoKα","","0.0474","0.0409","","","0.1066","0.1131","","","","","","1.064","","","","has coordinates","255811","2020-10-21","18:00:00",""
"1558960","9.7246","0.0005","9.0634","0.0004","21.3352","0.001","90","","96.9612","0.0015","90","","1866.58","0.15","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 B10 -","- C14 H26 B10 -","- C56 H104 B40 -","4","1","","Zhang, Jie; Tang, Cen; Xie, Zuowei","Magnesium-Mediated sp3 C-H Activation in Cascade Cyclization of 1-Arylethynyl-2-Alkyl-o-Carboranes: Efficient Synthesis of Carborane-Fused Cyclopentanes","Chemical Science","2020","","","","","10.1039/D0SC04465B","","","0.71073","MoKα","","0.0777","0.0624","","","0.1804","0.1982","","","","","","1.107","","","","has coordinates","255811","2020-10-21","18:00:00",""
"1558961","25.1585","0.0014","25.1585","0.0014","25.1585","0.0014","90","","90","","90","","15924.1","1.5","173","2","173","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","NJU-Bai61","","- C33 H45 Cu13 I11 N12 O7 -","- C33 H45 Cu13 I11 N12 O7 -","- C264 H360 Cu104 I88 N96 O56 -","8","0.166667","","Gao, Yajun; Bai, Junfeng; Zhang, Lei; Gu, Yuming; Zhang, Wen-Wei; Pan, Yi; Fang, Wei-hai; Ma, Jing; Lan, Ya-Qian","Formation of a Mixed-Valence Cu(I)/Cu(II) Metal-Organic Framework with the Full Light Spectrum and High Selectivity of CO2 Photoreduction into CH4","Chemical Science","2020","","","","","10.1039/D0SC03754K","","","0.71073","MoKα","","0.0766","0.0649","","","0.1819","0.1992","","","","","","1.184","","","","has coordinates","255812","2020-10-21","18:00:00",""
"1558962","13.4414","0.0012","10.3399","0.0009","15.1736","0.0014","90","","106.964","0.001","90","","2017.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","NJU-Bai61p","","- C5 H4 Cu2 I2 N2 O2 -","- C5 H4 Cu2 I2 N2 O2 -","- C40 H32 Cu16 I16 N16 O16 -","8","1","","Gao, Yajun; Bai, Junfeng; Zhang, Lei; Gu, Yuming; Zhang, Wen-Wei; Pan, Yi; Fang, Wei-hai; Ma, Jing; Lan, Ya-Qian","Formation of a Mixed-Valence Cu(I)/Cu(II) Metal-Organic Framework with the Full Light Spectrum and High Selectivity of CO2 Photoreduction into CH4","Chemical Science","2020","","","","","10.1039/D0SC03754K","","","0.71073","MoKα","","0.0385","0.0378","","","0.0983","0.0985","","","","","","1.237","","","","has coordinates","255812","2020-10-21","18:00:00",""
"1558963","7.6121","0.0006","27.2894","0.0018","8.5005","0.0005","90","","107.255","0.008","90","","1686.3","0.2","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","MePhImCH(CHCH2)PhIm","","- C20 H14 N2 O4 -","- C20 H14 N2 O4 -","- C80 H56 N8 O16 -","4","2","","Kanbayashi, Naoya; Saegusa, Marina; Ishido, Yuki; Okamura, Taka-aki; Onitsuka, Kiyotaka","Synthesis of an optically active polymer containing a planar phthalimide backbone by asymmetric polymerization","Polymer Chemistry","2020","11","39","6241","6250","10.1039/D0PY01073A","","x-ray","0.71075","MoKα","","0.108","0.0567","","","0.0958","0.111","","","","","","1.032","","","","has coordinates","258991","2020-11-06","13:21:54",""
"1558965","11.484","0.003","9.814","0.003","12.602","0.003","90","","96.815","0.004","90","","1410.3","0.7","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Sarkar, Sujan K.; Ranaweera, R. A. A. Upul; Merugu, Rajkumar; Abdelaziz, Nayera M.; Robinson, Jendai E.; Day, Heidi A.; Krause, Jeanette A.; Gudmundsdottir, Anna D.","Comparison of the Photochemistry of Acyclic and Cyclic 4-(4-Methoxy-Phenyl)-4-Oxo-but-2-Enoate Ester Derivatives.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.0c04319","","","0.7749","synchrotron","","0.0513","0.0455","","","0.127","0.1325","","","","","","1.051","","","","has coordinates","255855","2020-10-21","18:00:00",""
"1558966","14.114","0.0012","5.0373","0.0004","17.2267","0.0015","90","","98.575","0.003","90","","1211.07","0.18","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O2 S -","- C14 H14 O2 S -","- C56 H56 O8 S4 -","4","1","","He, Chuan; Yang, Wu; Li, Yingzi; Zhu, Jiefeng; Liu, Wentan; Ke, Jie","Lewis Acid-Assisted Ir(III) Reductive Elimination Enables Construction of Seven-Membered-Ring Sulfoxides","Chemical Science","2020","","","","","10.1039/D0SC04180G","","x-ray","0.71073","MoKα","","0.0839","0.0586","","","0.1494","0.1641","","","","","","1.046","","","","has coordinates","255884","2020-10-21","18:00:00",""
"1558967","8.5119","0.0009","33.049","0.003","8.1129","0.0007","90","","105.969","0.004","90","","2194.2","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cl Ir O S -","- C24 H28 Cl Ir O S -","- C96 H112 Cl4 Ir4 O4 S4 -","4","1","","He, Chuan; Yang, Wu; Li, Yingzi; Zhu, Jiefeng; Liu, Wentan; Ke, Jie","Lewis Acid-Assisted Ir(III) Reductive Elimination Enables Construction of Seven-Membered-Ring Sulfoxides","Chemical Science","2020","","","","","10.1039/D0SC04180G","","x-ray","0.71073","MoKα","","0.0508","0.0461","","","0.0973","0.0989","","","","","","1.189","","","","has coordinates","255884","2020-10-21","18:00:00",""
"1558968","10.993","0.0005","14.5354","0.0007","12.7588","0.0007","90","","94.905","0.002","90","","2031.23","0.17","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 Ir O S -","- C24 H27 Ir O S -","- C96 H108 Ir4 O4 S4 -","4","1","","He, Chuan; Yang, Wu; Li, Yingzi; Zhu, Jiefeng; Liu, Wentan; Ke, Jie","Lewis Acid-Assisted Ir(III) Reductive Elimination Enables Construction of Seven-Membered-Ring Sulfoxides","Chemical Science","2020","","","","","10.1039/D0SC04180G","","x-ray","0.71073","MoKα","","0.0426","0.0388","","","0.1051","0.1077","","","","","","1.059","","","","has coordinates","255884","2020-10-21","18:00:00",""
"1558969","4.9916","0.0003","12.1921","0.0006","13.9226","0.0008","69.159","0.002","87.173","0.002","79.345","0.002","778.09","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O5 S -","- C18 H16 O5 S -","- C36 H32 O10 S2 -","2","1","","He, Chuan; Yang, Wu; Li, Yingzi; Zhu, Jiefeng; Liu, Wentan; Ke, Jie","Lewis Acid-Assisted Ir(III) Reductive Elimination Enables Construction of Seven-Membered-Ring Sulfoxides","Chemical Science","2020","","","","","10.1039/D0SC04180G","","x-ray","0.71073","MoKα","","0.0468","0.037","","","0.0906","0.0956","","","","","","1.047","","","","has coordinates","255884","2020-10-21","18:00:00",""
"1558970","10.9587","0.0009","15.1534","0.0011","7.3793","0.0006","90","","98.891","0.003","90","","1210.69","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Br O S -","- C14 H11 Br O S -","- C56 H44 Br4 O4 S4 -","4","1","","He, Chuan; Yang, Wu; Li, Yingzi; Zhu, Jiefeng; Liu, Wentan; Ke, Jie","Lewis Acid-Assisted Ir(III) Reductive Elimination Enables Construction of Seven-Membered-Ring Sulfoxides","Chemical Science","2020","","","","","10.1039/D0SC04180G","","x-ray","0.71073","MoKα","","0.0368","0.0307","","","0.0687","0.0707","","","","","","1.136","","","","has coordinates,has disorder","255884","2020-10-21","18:00:00",""
"1558971","9.9702","0.0005","12.7689","0.0006","13.1134","0.0006","89.362","0.001","73.47","0.001","68.14","0.001","1476.92","0.12","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H27 Ag2 F6 Ir O5 S -","- C28 H27 Ag2 F6 Ir O5 S -","- C56 H54 Ag4 F12 Ir2 O10 S2 -","2","1","","He, Chuan; Yang, Wu; Li, Yingzi; Zhu, Jiefeng; Liu, Wentan; Ke, Jie","Lewis Acid-Assisted Ir(III) Reductive Elimination Enables Construction of Seven-Membered-Ring Sulfoxides","Chemical Science","2020","","","","","10.1039/D0SC04180G","","x-ray","0.71073","MoKα","","0.0369","0.0342","","","0.0839","0.0856","","","","","","1.036","","","","has coordinates","255884","2020-10-21","18:00:00",""
"1558972","5.8021","0.0003","10.4926","0.0005","10.9378","0.0005","73.356","0.002","87.222","0.002","79.597","0.001","627.49","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Br2 O2 S3 -","- C10 H6 Br2 O2 S3 -","- C20 H12 Br4 O4 S6 -","2","1","","He, Chuan; Yang, Wu; Li, Yingzi; Zhu, Jiefeng; Liu, Wentan; Ke, Jie","Lewis Acid-Assisted Ir(III) Reductive Elimination Enables Construction of Seven-Membered-Ring Sulfoxides","Chemical Science","2020","","","","","10.1039/D0SC04180G","","x-ray","0.71073","MoKα","","0.0433","0.0364","","","0.1012","0.1059","","","","","","1.06","","","","has coordinates","255884","2020-10-21","18:00:00",""
"1558973","8.1465","0.0005","14.4371","0.0008","8.884","0.0005","90","","100.673","0.002","90","","1026.79","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 O S3 -","- C10 H8 O S3 -","- C40 H32 O4 S12 -","4","1","","He, Chuan; Yang, Wu; Li, Yingzi; Zhu, Jiefeng; Liu, Wentan; Ke, Jie","Lewis Acid-Assisted Ir(III) Reductive Elimination Enables Construction of Seven-Membered-Ring Sulfoxides","Chemical Science","2020","","","","","10.1039/D0SC04180G","","x-ray","0.71073","MoKα","","0.0619","0.0397","","","0.0953","0.1047","","","","","","1.028","","","","has coordinates,has disorder","255884","2020-10-21","18:00:00",""
"1558974","7.4348","0.0006","23.1324","0.0018","20.2671","0.0016","90","","90.377","0.001","90","","3485.6","0.5","298","2","298.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","Phenol Pentafluorophenol","","- C12 H7 F5 O2 -","- C12 H7 F5 O2 -","- C144 H84 F60 O24 -","12","3","","Gerthoffer, Margaret C.; Wu, Sikai; Chen, Bo; Wang, Tao; Huss, Steven; Oburn, Shalisa M.; Crespi, Vincent; Badding, John; Elacqua, Elizabeth","‘Sacrificial’ Supramolecular Assembly and Pressure-Induced Polymerization: Toward Sequence-Defined Functionalized Nanothreads","Chemical Science","2020","","","","","10.1039/D0SC03904G","","","0.71073","MoKα","","0.0446","0.0333","","","0.08","0.0876","","","","","","1.028","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1558975","12.5033","0.0006","14.0801","0.0005","18.7137","0.0008","80.333","0.003","80.005","0.004","72.223","0.004","3066.3","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H55 Cl8 O2.3 Os P3 -","- C64 H55 Cl8 O2.3 Os P3 -","- C128 H110 Cl16 O4.6 Os2 P6 -","2","1","","Huang, Fanping; Zheng, Xuejuan; Lin, Xinlei; Ding, Lin-Ting; Zhuo, Qingde; Wen, Ting-Bin; Zhang, Hong; Xia, Haiping","Extension of Simmons‒Smith Reaction to Metal-Carbynes: Efficient Synthesis of Metallacyclopropenes with σ-Aromaticity","Chemical Science","2020","","","","","10.1039/D0SC03215H","","","0.71073","MoKα","","0.0609","0.0369","","","0.0411","0.0434","","","","","","0.757","","","","has coordinates,has disorder","255886","2020-10-21","18:00:00",""
"1558976","13.5717","0.0001","12.2204","0.0001","38.228","0.0004","90","","96.838","0.001","90","","6295.08","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H55 I2 O2 Os P3 -","- C65 H55 I2 O2 Os P3 -","- C260 H220 I8 O8 Os4 P12 -","4","1","","Huang, Fanping; Zheng, Xuejuan; Lin, Xinlei; Ding, Lin-Ting; Zhuo, Qingde; Wen, Ting-Bin; Zhang, Hong; Xia, Haiping","Extension of Simmons‒Smith Reaction to Metal-Carbynes: Efficient Synthesis of Metallacyclopropenes with σ-Aromaticity","Chemical Science","2020","","","","","10.1039/D0SC03215H","","x-ray","1.54184","CuKα","","0.035","0.0347","","","0.088","0.0883","","","","","","1.061","","","","has coordinates","255886","2020-10-21","18:00:00",""
"1558977","18.0079","0.0006","18.6935","0.0007","24.9721","0.0009","95.726","0.003","110.761","0.003","102.104","0.003","7545.1","0.5","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C69 H59 Cl2 O4 P3 Ru -","- C69 H59 Cl2 O4 P3 Ru -","- C276 H236 Cl8 O16 P12 Ru4 -","4","2","","Huang, Fanping; Zheng, Xuejuan; Lin, Xinlei; Ding, Lin-Ting; Zhuo, Qingde; Wen, Ting-Bin; Zhang, Hong; Xia, Haiping","Extension of Simmons–Smith Reaction to Metal-Carbynes: Efficient Synthesis of Metallacyclopropenes with σ-Aromaticity","Chemical Science","2020","","","","","10.1039/D0SC03215H","","","0.71073","MoKα","","0.0831","0.0601","","","0.1263","0.1355","","","","","","1.065","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1558978","13.7995","0.0006","15.4786","0.0006","18.2124","0.0007","65.195","0.001","73.676","0.001","78.005","0.001","3370.8","0.2","173","2","173","","","","","","","","","8","P -1","-P 1","2","","","","- C66 H57 B Cl7 F4 O Os P3 -","- C66 H57 B Cl7 F4 O Os P3 -","- C132 H114 B2 Cl14 F8 O2 Os2 P6 -","2","1","","Huang, Fanping; Zheng, Xuejuan; Lin, Xinlei; Ding, Lin-Ting; Zhuo, Qingde; Wen, Ting-Bin; Zhang, Hong; Xia, Haiping","Extension of Simmons‒Smith Reaction to Metal-Carbynes: Efficient Synthesis of Metallacyclopropenes with σ-Aromaticity","Chemical Science","2020","","","","","10.1039/D0SC03215H","","","0.71073","MoKα","","0.0504","0.0449","","","0.1131","0.1179","","","","","","1.05","","","","has coordinates,has disorder","255886","2020-10-21","18:00:00",""
"1558979","18.5224","0.0002","12.6665","0.0002","29.5255","0.0004","90","","102.222","0.001","90","","6770.09","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H59 I2 O2 Os P3 -","- C67 H59 I2 O2 Os P3 -","- C268 H236 I8 O8 Os4 P12 -","4","1","","Huang, Fanping; Zheng, Xuejuan; Lin, Xinlei; Ding, Lin-Ting; Zhuo, Qingde; Wen, Ting-Bin; Zhang, Hong; Xia, Haiping","Extension of Simmons‒Smith Reaction to Metal-Carbynes: Efficient Synthesis of Metallacyclopropenes with σ-Aromaticity","Chemical Science","2020","","","","","10.1039/D0SC03215H","","x-ray","1.54184","CuKα","","0.0328","0.0316","","","0.0774","0.0781","","","","","","1.047","","","","has coordinates","255886","2020-10-21","18:00:00",""
"1558980","12.0312","0.0005","17.2019","0.001","19.2444","0.0011","106.991","0.005","103.843","0.004","105.956","0.004","3433.9","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H57 Cl8 O Os P3 -","- C70 H57 Cl8 O Os P3 -","- C140 H114 Cl16 O2 Os2 P6 -","2","1","","Huang, Fanping; Zheng, Xuejuan; Lin, Xinlei; Ding, Lin-Ting; Zhuo, Qingde; Wen, Ting-Bin; Zhang, Hong; Xia, Haiping","Extension of Simmons‒Smith Reaction to Metal-Carbynes: Efficient Synthesis of Metallacyclopropenes with σ-Aromaticity","Chemical Science","2020","","","","","10.1039/D0SC03215H","","","0.71073","MoKα","","0.0393","0.0303","","","0.0639","0.065","","","","","","0.962","","","","has coordinates,has disorder","255886","2020-10-21","18:00:00",""
"1558981","16.87","0.004","5.77","0.001","19.89","0.003","90","","105.9","0.012","90","","1862","0.6","100","2","100","2","","","","","","","Synthesis","4","C 1 2 1","C 2y","5","","","","- C15 H31 N2 O7.5 -","- C15 H31 N2 O7.5 -","- C60 H124 N8 O30 -","4","1","","Bellotto, Ottavia; Kralj, Slavko; De Zorzi, Rita; Geremia, Silvano; Marchesan, Silvia","Supramolecular hydrogels from unprotected dipeptides: a comparative study on stereoisomers and structural isomers.","Soft matter","2020","16","44","10151","10157","10.1039/d0sm01191f","","x-ray","0.7","Synchrotron","","0.0797","0.0772","","","0.2235","0.2284","","","","","","1.117","","","","has coordinates","259629","2020-12-06","14:55:48",""
"1558982","17.7648","0.0007","18.0515","0.0005","22.0097","0.0007","77.093","0.002","66.749","0.003","62.317","0.003","5735.6","0.4","119.99","0.13","119.99","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C256.5 H230 B8 Cl3 F32 N8 O10 -","- C256.5 H230 B8 Cl3 F32 N8 O10 -","- C256.5 H230 B8 Cl3 F32 N8 O10 -","1","0.5","","Chen, Kongqi; Zhang, Rongyuan; Li, Ganggang; Li, Baoxi; Ma, Yao; Sun, Ming; Wang, Zhiming; Tang, Ben Zhong","Photo-induced crystallization with emission enhancement (PICEE)","Materials Horizons","2020","7","11","3005","3010","10.1039/D0MH01200A","","x-ray","1.54184","CuKα","","0.1507","0.1298","","","0.385","0.4156","","","","","","1.026","","","","has coordinates,has disorder","258995","2020-11-06","13:24:36",""
"1558983","12.7732","0.0008","12.9749","0.0008","28.77","0.002","87.197","0.004","83.485","0.003","77.866","0.003","4629.9","0.5","200","","200","","","","","","","","","8","P -1","-P 1","2","","","","- C93 H119 B Co N4 O P3 Zr -","- C93 H119 B Co N4 O P3 Zr -","- C186 H238 B2 Co2 N8 O2 P6 Zr2 -","2","1","","Thomas, Christine M.; Zhang, Hongtu; Hatzis, Gregory P.; Moore, Curtis; Dickie, Diane Amanda","Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(IV) oxo compound mediated by an appended cobalt(I) center","Chemical Science","2020","","","","","10.1039/D0SC04229C","","x-ray","0.71073","MoKα","","0.0572","0.0418","","","0.106","0.1121","","","","","","1.032","","","","has coordinates,has disorder","255936","2020-10-21","18:00:00",""
"1558984","20.3878","0.0008","20.3878","0.0008","16.4288","0.0007","90","","90","","120","","5913.9","0.4","150","","150","","","","","","","","","8","R 3 :H","R 3","146","","","","- C87 H114 Co F3 N4 O P3 Zr -","- C87 H114 Co F3 N4 O P3 Zr -","- C261 H342 Co3 F9 N12 O3 P9 Zr3 -","3","0.333333","","Thomas, Christine M.; Zhang, Hongtu; Hatzis, Gregory P.; Moore, Curtis; Dickie, Diane Amanda","Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(IV) oxo compound mediated by an appended cobalt(I) center","Chemical Science","2020","","","","","10.1039/D0SC04229C","","x-ray","0.71073","MoKα","K-L~3~","0.022","0.0205","","","0.0516","0.0522","","","","","","1.092","","","","has coordinates,has disorder","255936","2020-10-21","18:00:00",""
"1558985","15.7918","0.0006","16.3859","0.0006","24.043","0.0009","90","","103.39","0.002","90","","6052.3","0.4","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","3HZ_092","","","- C110 H192 Co2 N8 Na2 O2 P6 Zr2 -","- C110 H192 Co2 N8 Na1.998 O2 P6 Zr2 -","- C220 H384 Co4 N16 Na3.996 O4 P12 Zr4 -","2","0.5","","Thomas, Christine M.; Zhang, Hongtu; Hatzis, Gregory P.; Moore, Curtis; Dickie, Diane Amanda","Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(IV) oxo compound mediated by an appended cobalt(I) center","Chemical Science","2020","","","","","10.1039/D0SC04229C","","","0.71073","MoKα","","0.067","0.0407","","","0.0938","0.1058","","","","","","1.025","","","","has coordinates,has disorder","255936","2020-10-21","18:00:00",""
"1558986","13.4865","0.0008","15.0867","0.0009","24.2764","0.0014","73.132","0.002","81.938","0.002","89.151","0.002","4678.5","0.5","150","","150","","","","","","","","","10","P -1","-P 1","2","","","","- C82 H96.99 B Co F24 I0.01 N4 O P3 Zr -","- C82 H96.9957 B Co F24 I0.0043 N4 O0.9957 P3 Zr -","- C164 H193.991 B2 Co2 F48 I0.0086 N8 O1.9914 P6 Zr2 -","2","1","","Thomas, Christine M.; Zhang, Hongtu; Hatzis, Gregory P.; Moore, Curtis; Dickie, Diane Amanda","Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(IV) oxo compound mediated by an appended cobalt(I) center","Chemical Science","2020","","","","","10.1039/D0SC04229C","","x-ray","0.71073","MoKα","","0.0382","0.0335","","","0.0863","0.0908","","","","","","1.025","","","","has coordinates,has disorder","255936","2020-10-21","18:00:00",""
"1558987","12.8096","0.0009","17.9356","0.0012","18.3046","0.0011","86.395","0.002","72.314","0.002","75.548","0.002","3879.5","0.4","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C79 H102.5 Cl Co F2.5 N3 O P3 Zr -","- C79 H102.5 Cl Co F2.5 N3 O P3 Zr -","- C158 H205 Cl2 Co2 F5 N6 O2 P6 Zr2 -","2","1","","Thomas, Christine M.; Zhang, Hongtu; Hatzis, Gregory P.; Moore, Curtis; Dickie, Diane Amanda","Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(IV) oxo compound mediated by an appended cobalt(I) center","Chemical Science","2020","","","","","10.1039/D0SC04229C","","x-ray","0.71073","MoKα","","0.0292","0.0264","","","0.0641","0.067","","","","","","1.088","","","","has coordinates,has disorder","255936","2020-10-21","18:00:00",""
"1558988","36.531","0.002","17.8638","0.0012","23.9107","0.0014","90","","108.239","0.004","90","","14819.8","1.6","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","2HZ150","","","- C50 H85 Co N4 O P3 Zr -","- C50 H85 Co N4 O P3 Zr -","- C400 H680 Co8 N32 O8 P24 Zr8 -","8","1","","Thomas, Christine M.; Zhang, Hongtu; Hatzis, Gregory P.; Moore, Curtis; Dickie, Diane Amanda","Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(IV) oxo compound mediated by an appended cobalt(I) center","Chemical Science","2020","","","","","10.1039/D0SC04229C","","","0.71073","MoKα","","0.1682","0.0963","","","0.2414","0.2879","","","","","","1.04","","","","has coordinates","255936","2020-10-21","18:00:00",""
"1558989","15.3643","0.0008","19.0177","0.001","22.7503","0.0011","90","","95.377","0.002","90","","6618.2","0.6","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H94 Co F9 N4 P4 Zr -","- C62 H94 Co F9 N4 P4 Zr -","- C248 H376 Co4 F36 N16 P16 Zr4 -","4","1","","Thomas, Christine M.; Zhang, Hongtu; Hatzis, Gregory P.; Moore, Curtis; Dickie, Diane Amanda","Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(IV) oxo compound mediated by an appended cobalt(I) center","Chemical Science","2020","","","","","10.1039/D0SC04229C","","x-ray","0.71073","MoKα","","0.0299","0.0259","","","0.0666","0.071","","","","","","1.054","","","","has coordinates,has disorder","255936","2020-10-21","18:00:00",""
"1558990","6.9149","0.0002","7.8607","0.0002","34.1007","0.0012","90","","95.247","0.003","90","","1845.81","0.1","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(rac)-1-methyl-5-phenyl-2-(p-tolylsulfinyl)isoindoline","","- C22 H21 N O2 S -","- C22 H21 N O2 S -","- C88 H84 N4 O8 S4 -","4","1","","Thadkapally, Srinivas; Farshadfar, Kaveh; Drew, Melanie; Richardson, Christopher; Ariafard, Alireza; Pyne, Stephen G.; Hyland, Christopher James Timothy","Rhodium-Catalyzed Tetradehydro-Diels‒Alder Reactions of Enediynes via a Rhodium-stabilized Cyclic Allene","Chemical Science","2020","","","","","10.1039/D0SC04390G","","x-ray","0.71073","MoKα","","0.0572","0.0429","","","0.1054","0.1116","","","","","","1.036","","","","has coordinates,has disorder","255937","2020-10-21","18:00:00",""
"1558991","26.951","0.003","10.8492","0.0008","21.899","0.003","90","","125.39","0.019","90","","5220.1","1.6","293","2","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H44 Fe N8 O8 S2 -","- C62 H44 Fe N8 O8 S2 -","- C248 H176 Fe4 N32 O32 S8 -","4","0.5","","SUGIYAMA, Haruki; UEKUSA, Hidehiro","Crystal Structure and Chromic Properties of an Iron(II) Complex Salt of a <i>N</i>-Salicylideneaniline Derivative","X-ray Structure Analysis Online","2020","36","0","31","32","10.2116/xraystruct.36.31","","","0.71073","MoKα","","0.071","0.0493","","","0.1266","0.1422","","","","","","1.063","","","","has coordinates","258165","2020-10-21","18:00:00",""
"1558992","11.929","0.007","16.833","0.006","11.259","0.011","93.75","0.05","91","0.07","100.37","0.04","2218","3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H32 B N O4 -","- C22 H32 B N O4 -","- C88 H128 B4 N4 O16 -","4","2","","TOMBUL, Mustafa; BIYIKOGLU, Mutluhan; BULUT, Adnan; GÜVEN, Kutalmis; ISILAR, Özer","Synthesis and Crystal Structure Determination of a Dimeric Complex of Dimethylammoniumbis(<i>p-tert</i>-butylcatecholato) borate","X-ray Structure Analysis Online","2020","36","0","27","29","10.2116/xraystruct.36.27","","","0.71069","MoKα","","0.3117","0.077","","","0.1824","0.2738","","","","","","0.999","","","","has coordinates","258166","2020-10-21","18:00:00",""
"1558993","9.2947","0.0002","18.5982","0.0005","18.3144","0.0004","90","","90.534","0.002","90","","3165.78","0.13","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H53 Ag2 N9 O6 P4 -","- C62 H53 Ag2 N9 O6 P4 -","- C124 H106 Ag4 N18 O12 P8 -","2","0.5","","Artem’ev, Alexander V.; Davydova, Maria P.; Berezin, Alexey S.; Samsonenko, Denis G.","Synthesis and Thermochromic Luminescence of Ag(I) Complexes Based on 4,6-Bis(diphenylphosphino)-Pyrimidine","Inorganics","2020","8","9","46","","10.3390/inorganics8090046","","x-ray","0.71073","MoKα","","0.0805","0.0634","","","0.1687","0.1797","","","","","","1.064","","","","has coordinates,has disorder","256193","2020-10-21","18:00:00",""
"1558994","13.2478","0.0004","15.6986","0.0004","19.701","0.0005","90","","90","","90","","4097.25","0.19","140","2","140","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 Ag2 B2 F8 N6 P2 -","- C36 H34 Ag2 B2 F8 N6 P2 -","- C144 H136 Ag8 B8 F32 N24 P8 -","4","1","","Artem’ev, Alexander V.; Davydova, Maria P.; Berezin, Alexey S.; Samsonenko, Denis G.","Synthesis and Thermochromic Luminescence of Ag(I) Complexes Based on 4,6-Bis(diphenylphosphino)-Pyrimidine","Inorganics","2020","8","9","46","","10.3390/inorganics8090046","","x-ray","0.71073","MoKα","","0.0306","0.026","","","0.0535","0.0557","","","","","","1.022","","","","has coordinates,has disorder","256194","2020-10-21","18:00:00",""
"1558995","13.7178","0.0014","20.452","0.002","27.659","0.003","90","","90","","90","","7759.9","1.4","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","[Bis(3,7-dibenzyl-1,5-di(1’-(R)-phenylethyl)-1,5-diaza-3,7-diphosphacyclooctane)- bis(acetonitrile)iron(II)] tetrafluoroborate","","- C76 H92 B2 F8 Fe N8 P4 -","- C76 H92 B2 F8 Fe N8 P4 -","- C304 H368 B8 F32 Fe4 N32 P16 -","4","1","","Spiridonova, Yulia S.; Nikolaeva, Yulia A.; Balueva, Anna S.; Musina, Elvira I.; Litvinov, Igor A.; Strelnik, Igor D.; Khrizanforova, Vera V.; Budnikova, Yulia G.; Karasik, Andrey A.","Synthesis and Structure of Iron (II) Complexes of Functionalized 1,5-Diaza-3,7-Diphosphacyclooctanes.","Molecules (Basel, Switzerland)","2020","25","17","3775","","10.3390/molecules25173775","","","0.71073","MoKα","","0.2051","0.0791","","","0.1537","0.2081","","","","","","1.007","","","","has coordinates","256195","2020-10-21","18:00:00",""
"1558996","22.651","0.002","22.651","0.002","15.3431","0.0017","90","","90","","120","","6817.4","1.1","100","2","100","2","","","","","","","","8","P 3 2 1","P 3 2""","150","","[Bis(3,7-dibenzyl-1,5-di(1?-(R)-phenylethyl)-1,5-diaza-3,7-diphosphacyclooctane)- tetrafluoroboratoiron(II)] tetrafluoroborate","","- C249 H294 B5 F20 Fe3 N12 O15 P12 -","- C249 H330 B5 F20 Fe3 N12 O15 P12 -","- C249 H330 B5 F20 Fe3 N12 O15 P12 -","1","0.166667","","Spiridonova, Yulia S.; Nikolaeva, Yulia A.; Balueva, Anna S.; Musina, Elvira I.; Litvinov, Igor A.; Strelnik, Igor D.; Khrizanforova, Vera V.; Budnikova, Yulia G.; Karasik, Andrey A.","Synthesis and Structure of Iron (II) Complexes of Functionalized 1,5-Diaza-3,7-Diphosphacyclooctanes.","Molecules (Basel, Switzerland)","2020","25","17","3775","","10.3390/molecules25173775","","","0.71073","MoKα","","0.2191","0.104","","","0.2221","0.2794","","","","","","0.973","","","","has coordinates","256196","2020-10-21","18:00:00",""
"1559007","35.823","0.0002","6.493","","11.1674","0.0001","90","","106.69","","90","","2488.1","0.03","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H31 N3 O5 -","- C27 H31 N3 O5 -","- C108 H124 N12 O20 -","4","1","","Qi, Changxing; Tan, Xiaosheng; Shi, Zhengyi; Feng, Hao; Sun, Lingjuan; Hu, Zhengxi; Chen, Gang; Zhang, Yonghui","Discovery of an Oxepine-Containing Diketopiperazine Derivative Active against Concanavalin A-Induced Hepatitis.","Journal of natural products","2020","83","9","2672","2678","10.1021/acs.jnatprod.0c00558","","","1.54178","CuKα","","0.0254","0.0252","","","0.0665","0.0666","","","","","","1.056","","","","has coordinates","257124","2020-10-21","18:00:00",""
"1559008","29.083","0.012","9.001","0.004","13.882","0.006","90","","103.729","0.008","90","","3530","3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 O -","- C24 H18 O -","- C192 H144 O8 -","8","1","","Tan, Bojun; Liu, Long; Zheng, Huayu; Cheng, Tianyi; Zhu, Dianhu; Yang, Xiaofeng; Luan, Xinjun","Two-in-One Strategy for Fluorene-Based Spirocycles via Pd(0)-Catalyzed Spiroannulation of o-Iodobiaryls with Bromonaphthols","Chemical Science","2020","","","","","10.1039/D0SC04386A","","","0.71073","MoKα","","0.0768","0.0494","","","0.1193","0.1405","","","","","","1.033","","","","has coordinates","256234","2020-10-21","18:00:00",""
"1559009","8.218","0.005","12.135","0.007","18.051","0.01","90","","98.865","0.01","90","","1778.6","1.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 Br O2 -","- C23 H15 Br O2 -","- C92 H60 Br4 O8 -","4","1","","Tan, Bojun; Liu, Long; Zheng, Huayu; Cheng, Tianyi; Zhu, Dianhu; Yang, Xiaofeng; Luan, Xinjun","Two-in-One Strategy for Fluorene-Based Spirocycles via Pd(0)-Catalyzed Spiroannulation of o-Iodobiaryls with Bromonaphthols","Chemical Science","2020","","","","","10.1039/D0SC04386A","","","0.71073","MoKα","","0.1824","0.0661","","","0.1505","0.213","","","","","","0.955","","","","has coordinates","256234","2020-10-21","18:00:00",""
"1559010","12.3186","0.0004","12.3186","0.0004","49.0829","0.0017","90","","90","","120","","6450.4","0.4","100","","100","","","","","","","","","6","R -3 :H","-R 3","148","","hydrotris(3-phenyl-5-methylpyrazolyl)borate nickel triphenylstannide","","- C54 H49 B N6 Ni Sn -","- C48 H43 B N6 Ni Sn -","- C288 H258 B6 N36 Ni6 Sn6 -","6","0.333333","","Coste, Scott C.; Pearson, Tyler J.; Altman, Alison B.; Klein, Ryan A.; Finney, Brian A.; Hu, Michael Y.; Alp, E. Ercan; Vlaisavljevich, Bess; Freedman, Danna E.","Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes","Chemical Science","2020","","","","","10.1039/D0SC03777J","","","0.71073","MoKα","","0.0415","0.0327","","","0.0823","0.0871","","","","","","1.05","","","","has coordinates","256235","2020-10-21","18:00:00",""
"1559011","11.0364","0.0008","15.2242","0.0013","16.1001","0.0013","90","","94.548","0.002","90","","2696.6","0.4","100","","100.11","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","hydrotris(3-phenyl-5-methylpyrazolyl)borate zinc(II) chloride","","- C30 H28 B Cl N6 Zn -","- C30 H28 B Cl N6 Zn -","- C120 H112 B4 Cl4 N24 Zn4 -","4","1","","Coste, Scott C.; Pearson, Tyler J.; Altman, Alison B.; Klein, Ryan A.; Finney, Brian A.; Hu, Michael Y.; Alp, E. Ercan; Vlaisavljevich, Bess; Freedman, Danna E.","Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes","Chemical Science","2020","","","","","10.1039/D0SC03777J","","","0.71073","MoKα","","0.0926","0.0469","","","0.09","0.1048","","","","","","1.01","","","","has coordinates","256235","2020-10-21","18:00:00",""
"1559012","12.3859","0.0004","12.3859","0.0004","48.7382","0.0018","90","","90","","120","","6475.2","0.4","100","","99.99","","","","","","","","","6","R -3 :H","-R 3","148","","hydrotris(3-phenyl-5-methylpyrazolyl)borate zinc triphenylstannide","","- C54 H49 B N6 Sn Zn -","- C48 H43 B N6 Sn Zn -","- C288 H258 B6 N36 Sn6 Zn6 -","6","0.333333","","Coste, Scott C.; Pearson, Tyler J.; Altman, Alison B.; Klein, Ryan A.; Finney, Brian A.; Hu, Michael Y.; Alp, E. Ercan; Vlaisavljevich, Bess; Freedman, Danna E.","Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes","Chemical Science","2020","","","","","10.1039/D0SC03777J","","","0.71073","MoKα","","0.0501","0.0422","","","0.1096","0.1172","","","","","","1.088","","","","has coordinates","256235","2020-10-21","18:00:00",""
"1559013","12.3722","0.0002","12.3722","0.0002","48.7964","0.001","90","","90","","120","","6468.6","0.2","100","","100.01","","","","","","","","","6","R -3 :H","-R 3","148","","hydrotris(3-phenyl-5-methylpyrazolyl)borate iron triphenylstannide","","- C54 H49 B Fe N6 Sn -","- C48 H43 B Fe N6 Sn -","- C288 H258 B6 Fe6 N36 Sn6 -","6","0.333333","","Coste, Scott C.; Pearson, Tyler J.; Altman, Alison B.; Klein, Ryan A.; Finney, Brian A.; Hu, Michael Y.; Alp, E. Ercan; Vlaisavljevich, Bess; Freedman, Danna E.","Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes","Chemical Science","2020","","","","","10.1039/D0SC03777J","","","0.71073","MoKα","","0.0415","0.0303","","","0.0706","0.0771","","","","","","1.049","","","","has coordinates","256235","2020-10-21","18:00:00",""
"1559014","12.023","0.0013","12.023","0.0013","32.558","0.003","90","","90","","120","","4075.8","0.7","100","","100.07","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","hydrotris(3-phenyl-5-methylpyrazolyl)borate magnanese(II) choride","","- C30 H28 B Cl Mn N6 -","- C30 H28 B Cl Mn N6 -","- C180 H168 B6 Cl6 Mn6 N36 -","6","0.333333","","Coste, Scott C.; Pearson, Tyler J.; Altman, Alison B.; Klein, Ryan A.; Finney, Brian A.; Hu, Michael Y.; Alp, E. Ercan; Vlaisavljevich, Bess; Freedman, Danna E.","Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes","Chemical Science","2020","","","","","10.1039/D0SC03777J","","","0.71073","MoKα","","0.0415","0.031","","","0.068","0.0718","","","","","","1.061","","","","has coordinates","256235","2020-10-21","18:00:00",""
"1559015","12.3824","0.0006","12.3824","0.0006","49.104","0.002","90","","90","","120","","6520.1","0.5","100","","100","","","","","","","","","6","R -3 :H","-R 3","148","","hydrotris(3-phenyl-5-methylpyrazolyl)borate manganese triphenylstannide","","- C54 H49 B Mn N6 Sn -","- C48 H43 B Mn N6 Sn -","- C288 H258 B6 Mn6 N36 Sn6 -","6","0.333333","","Coste, Scott C.; Pearson, Tyler J.; Altman, Alison B.; Klein, Ryan A.; Finney, Brian A.; Hu, Michael Y.; Alp, E. Ercan; Vlaisavljevich, Bess; Freedman, Danna E.","Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes","Chemical Science","2020","","","","","10.1039/D0SC03777J","","","0.71073","MoKα","","0.0653","0.0533","","","0.149","0.1647","","","","","","1.048","","","","has coordinates","256235","2020-10-21","18:00:00",""
"1559016","9.707","0.0003","12.3991","0.0006","13.7578","0.0006","110.62","0.004","90.804","0.003","101.885","0.003","1509.77","0.12","102","3","100.15","","","","","","","","","6","P -1","-P 1","2","","(Z)-(3-Benzyl-2-((2-fluorophenyl)imino)thiazolidin-4-yl)methanol","","- C17 H17 F N2 O S -","- C17 H17 F N2 O S -","- C68 H68 F4 N8 O4 S4 -","4","2","","Lai, Zengwei; Zhang, Renwei; Feng, Qiang; Sun, Jianwei","3-Aminooxetanes: versatile 1,3-amphoteric molecules for intermolecular annulation reactions","Chemical Science","2020","","","","","10.1039/D0SC04254D","","x-ray","1.54184","CuKα","","0.0287","0.0276","","","0.0695","0.0705","","","","","","1.023","","","","has coordinates","256236","2020-10-21","18:00:00",""
"1559017","10.7941","0.0003","9.6492","0.0003","14.6149","0.0004","90","","109.529","0.003","90","","1434.64","0.08","99.9","0.5","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-(3-Benzyl-2-(phenylimino)oxazolidin-4-yl)methanol","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","","Lai, Zengwei; Zhang, Renwei; Feng, Qiang; Sun, Jianwei","3-Aminooxetanes: versatile 1,3-amphoteric molecules for intermolecular annulation reactions","Chemical Science","2020","","","","","10.1039/D0SC04254D","","x-ray","1.54184","CuKα","","0.042","0.0336","","","0.0844","0.0902","","","","","","1.024","","","","has coordinates","256236","2020-10-21","18:00:00",""
"1559018","24.7168","0.0008","16.6156","0.0005","8.3805","0.0003","90","","90","","90","","3441.7","0.2","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","<i>trans</i>-Diaquabis(<i>N</i>,<i>N</i>,<i>N</i>'-trimethylethylenediamine)nickel(II) dichloride","","- C10 H32 Cl2 N4 Ni O2 -","- C10 H32 Cl2 N4 Ni O2 -","- C80 H256 Cl16 N32 Ni8 O16 -","8","0.5","WM4136","Miecznikowski, John R.; Jasinski, Jerry P.; Flaherty, Nicole F.; Mircovich, Emma E.; Smolinsky, Allison N.; Bertolotti, Natalia R.","<i>trans</i>-Diaquabis(<i>N</i>,<i>N</i>,<i>N</i>'-trimethylethylenediamine)nickel(II) dichloride","IUCrData","2020","5","9","x201182","","10.1107/S2414314620011827","","x-ray","0.71073","MoKα","","0.0267","0.025","","","0.0627","0.0636","","","","","","1.032","","","","has coordinates,has Fobs","256244","2020-10-21","18:00:00",""
"1559019","5.5622","0.0007","18.891","0.002","9.6524","0.0013","90","","104.454","0.013","90","","982.1","0.2","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 1<i>H</i>-indole-2-carboxylate","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","BH4054","Lynch, Will E.; Whitlock, Christine R.; Padgett, Clifford W.","Ethyl 1<i>H</i>-indole-2-carboxylate","IUCrData","2020","5","9","x201205","","10.1107/S2414314620012055","","x-ray","0.71073","MoKα","","0.1062","0.0494","","","0.1134","0.1436","","","","","","1.009","","","","has coordinates,has Fobs","256245","2020-10-21","18:00:00",""
"1559020","7.4768","0.0003","16.219","0.0009","19.4101","0.001","90","","90","","90","","2353.8","0.2","295","1","295","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(25<i>R</i>)-Spirost-4-en-3,6-dione","","- C27 H38 O4 -","- C27 H38 O4 -","- C108 H152 O16 -","4","1","ZQ4041","Guerrero-Luna, Gabriel; Reyes Melchor, Jaquelin; Bernès, Sylvain; Hernández-Linares, María-Guadalupe","Diosgenin-3,6-dione: second polymorph in space group <i>P</i>2~1~2~1~2~1~","IUCrData","2020","5","9","x201200","","10.1107/S2414314620012006","","x-ray","0.56083","AgKα","","0.0694","0.0396","","","0.0825","0.0911","","","","","","0.884","","","","has coordinates,has Fobs","256246","2020-10-21","18:00:00",""
"1559021","12.71423","0.00013","17.04149","0.00018","26.1784","0.0003","90","","96.7054","0.0009","90","","5633.26","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ~4~-adamantane-1,3-dicarboxylato-1κ<i>O</i>^1^:2κ<i>O</i>^1'^:3κ<i>O</i>^3^:4κ<i>O</i>^3'^)octacarbonyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-tetrakis[tris(4-methylphenyl)phosphane]-1κ<i>P</i>,2κ<i>P</i>,3κ<i>P</i>,4κ<i>P</i>-tetraosmium(I)(2 <i>Os</i>‒<i>Os</i>)","","- C116 H112 O16 Os4 P4 -","- C116 H112 O16 Os4 P4 -","- C232 H224 O32 Os8 P8 -","2","0.5","WM4137","Zometa Paniagua, Diego F.; Powell, Gregory L.; Powell, Cynthia B.; Reinheimer, Eric W.","Bis(μ~4~-adamantane-1,3-dicarboxylato-1κ<i>O</i>^1^:2κ<i>O</i>^1'^:3κ<i>O</i>^3^:4κ<i>O</i>^3'^)octacarbonyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-tetrakis[tris(4-methylphenyl)phosphane]-1κ<i>P</i>,2κ<i>P</i>,3κ<i>P</i>,4κ<i>P</i>-tetraosmium(I)(2 <i>Os</i>‒<i>Os</i>)","IUCrData","2020","5","9","x201204","","10.1107/S2414314620012043","","x-ray","1.54184","CuKα","","0.0284","0.0273","","","0.069","0.0697","","","","","","1.056","","","","has coordinates,has Fobs","256247","2020-10-21","18:00:00",""
"1559022","9.642","0.005","11.407","0.005","17.858","0.008","90","","103.606","0.005","90","","1909","1.6","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","11,11-Diphenyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxaline","","- C27 H18 N2 -","- C27 H18 N2 -","- C108 H72 N8 -","4","1","HB4357","Chen, Lin; Hu, Jin; Wu, Li-Li; Sun, Hong-Shun","11,11-Diphenyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxaline","IUCrData","2020","5","9","x201213","","10.1107/S2414314620012134","","","0.71073","MoKα","","0.0616","0.0427","","","0.0975","0.1081","","","","","","1.033","","","","has coordinates,has Fobs","256248","2020-10-21","18:00:00",""
"1559023","12.4519","0.0005","7.8785","0.0003","15.668","0.0007","90","","105.253","0.0016","90","","1482.92","0.11","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-(2-Methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","","- C20 H16 O3 -","- C20 H16 O3 -","- C80 H64 O12 -","4","1","HB4362","Sung, Jiha","3-(2-Methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","IUCrData","2020","5","9","x201209","","10.1107/S2414314620012092","","","0.71073","MoKα","","0.06","0.0424","","","0.102","0.1126","","","","","","1.025","","","","has coordinates,has Fobs","256249","2020-10-21","18:00:00",""
"1559028","11.2627","0.0002","15.9727","0.0003","16.0123","0.0002","96.714","0.001","91.29","0.001","102.351","0.002","2791.22","0.08","220","2","220","","","","","","","","","6","P -1","-P 1","2","","[ReH8BBN4][K(18c6)(DME)]","","- C48 H98.03 B4 K O8 Re -","- C48 H98.042 B4 K O8 Re -","- C96 H196.084 B8 K2 O16 Re2 -","2","1","","Donnelly, Liam J.; Parsons, Simon; Morrison, Carole A.; Thomas, Stephen P.; Love, Jason B.","Synthesis and structures of anionic rhenium polyhydride complexes of boron‒hydride ligands and their application in catalysis","Chemical Science","2020","","","","","10.1039/D0SC03458D","","x-ray","0.71073","MoKα","","0.0282","0.0227","","","0.0444","0.0461","","","","","","1.039","","","","has coordinates,has disorder","256286","2020-10-21","18:00:00",""
"1559029","13.716","0.0014","23.102","0.002","14.7725","0.0015","90","","91.81","0.003","90","","4678.6","0.8","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[ReH7(Bpin)3][K(18c6)(DME)]","","- C34 H77 B3 K O14 Re -","- C34 H77 B3 K O14 Re -","- C136 H308 B12 K4 O56 Re4 -","4","0.5","","Donnelly, Liam J.; Parsons, Simon; Morrison, Carole A.; Thomas, Stephen P.; Love, Jason B.","Synthesis and structures of anionic rhenium polyhydride complexes of boron‒hydride ligands and their application in catalysis","Chemical Science","2020","","","","","10.1039/D0SC03458D","","","0.71073","MoKα","","0.0764","0.0632","","","0.1256","0.1304","","","","","","1.149","","","","has coordinates","256286","2020-10-21","18:00:00",""
"1559030","13.387","0.003","5.4878","0.0011","24.641","0.005","90","","90.13","0.006","90","","1810.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N3 O S2 -","- C19 H21 N3 O S2 -","- C76 H84 N12 O4 S8 -","4","1","","Castellano, Ronald K.; Kornman, Cory T.; Li, Lei; Weldeab, Asmerom O.; Ghiviriga, Ion; Abboud, Khalil A.","Photoisomerization of Dicyanorhodanine-Functionalized Thiophenes","Chemical Science","2020","","","","","10.1039/D0SC04409A","","","0.71073","MoKα","","0.0651","0.0519","","","0.1003","0.1043","","","","","","1.084","","","","has coordinates,has disorder","256287","2020-10-21","18:00:00",""
"1559031","26.651","0.005","27.05","0.005","36.959","0.007","90","","98.81","0.03","90","","26330","9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C218 H159 F48 Fe10 N49 O32 S16 -","- C218 H159 F48 Fe10 N49 O32 S16 -","- C872 H636 F192 Fe40 N196 O128 S64 -","4","1","","Plajer, Alex J.; Rizzuto, Felix; von Krbek, Larissa K. S.; Gisbert, Yohan; Martínez-Agramunt, Víctor; Nitschke, Jonathan","Oxidation triggers guest dissociation during reorganization of an FeII4L6 twisted parallelogram","Chemical Science","2020","","","","","10.1039/D0SC04352D","","","0.6889","Synchrotron","","0.1792","0.1492","","","0.3261","0.3409","","","","","","1.059","","","","has coordinates,has disorder","256288","2020-10-21","18:00:00",""
"1559032","12.3046","0.001","8.9443","0.0008","9.132","0.0007","90","","98.241","0.007","90","","994.65","0.14","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 S2 -","- C26 H18 S2 -","- C52 H36 S4 -","2","0.5","","Dekkiche, Hervé; Gemma, Andrea; Tabatabaei, Fatemeh; Batsanov, Andrei S.; Niehaus, Thomas; Gotsmann, Bernd; Bryce, Martin R.","Electronic conductance and thermopower of single-molecule junctions of oligo(phenyleneethynylene) derivatives.","Nanoscale","2020","12","36","18908","18917","10.1039/d0nr04413j","","x-ray","0.71073","MoKα","","0.0608","0.0479","","","0.1246","0.1376","","","","","","1.047","","","","has coordinates","257629","2020-10-21","18:00:00",""
"1559033","9.7811","0.0004","23.2361","0.0011","11.2452","0.0005","90","","108.171","0.002","90","","2428.29","0.19","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 S2 -","- C34 H22 S2 -","- C136 H88 S8 -","4","1","","Dekkiche, Hervé; Gemma, Andrea; Tabatabaei, Fatemeh; Batsanov, Andrei S.; Niehaus, Thomas; Gotsmann, Bernd; Bryce, Martin R.","Electronic conductance and thermopower of single-molecule junctions of oligo(phenyleneethynylene) derivatives.","Nanoscale","2020","12","36","18908","18917","10.1039/d0nr04413j","","x-ray","0.71073","MoKα","","0.072","0.0465","","","0.114","0.1245","","","","","","1.029","","","","has coordinates,has disorder","257629","2020-10-21","18:00:00",""
"1559040","8.491","0.005","20.059","0.004","11.557","0.0006","90","","94.884","0.015","90","","1961.3","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Cl N2 Pd -","- C23 H19 Cl N2 Pd -","- C92 H76 Cl4 N8 Pd4 -","4","1","","Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara","Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer","Macromolecules","2020","53","18","7783","7794","10.1021/acs.macromol.0c01461","","","0.7","synchrotron","","0.0187","0.0186","","","0.0568","0.057","","","","","","1.095","","","","has coordinates","257167","2020-10-21","18:00:00",""
"1559041","12.9481","0.0005","12.0822","0.0003","11.108","0.0005","90","","114.126","0.005","90","","1585.96","0.12","180","2","180","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl N2 Pd -","- C18 H17 Cl N2 Pd -","- C72 H68 Cl4 N8 Pd4 -","4","1","","Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara","Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer","Macromolecules","2020","53","18","7783","7794","10.1021/acs.macromol.0c01461","","x-ray","0.71073","MoKα","","0.0378","0.0261","","","0.0509","0.0551","","","","","","1.048","","","","has coordinates","257167","2020-10-21","18:00:00",""
"1559042","11.747","0.005","8.75","0.005","20.833","0.003","90","","103.795","0.01","90","","2079.6","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Cl3 N2 Pd -","- C22 H19 Cl3 N2 Pd -","- C88 H76 Cl12 N8 Pd4 -","4","1","","Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara","Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer","Macromolecules","2020","53","18","7783","7794","10.1021/acs.macromol.0c01461","","","0.7","synchrotron","","0.0428","0.0422","","","0.1124","0.1129","","","","","","1.047","","","","has coordinates,has disorder","257167","2020-10-21","18:00:00",""
"1559043","11.839","0.0013","9.79","0.0018","15.847","0.002","90","","111.699","0.014","90","","1706.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17.5 H16 Cl2 N2 Pd -","- C17.5 H16 Cl2 N2 Pd -","- C70 H64 Cl8 N8 Pd4 -","4","1","","Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara","Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer","Macromolecules","2020","53","18","7783","7794","10.1021/acs.macromol.0c01461","","","0.7","synchrotron","","0.024","0.024","","","0.0662","0.0662","","","","","","1.127","","","","has coordinates","257167","2020-10-21","18:00:00",""
"1559044","8.939","0.004","10.618","0.0017","38.547","0.005","90","","90","","90","","3658.7","1.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H19 Cl N2 Pd -","- C22 H19 Cl N2 Pd -","- C176 H152 Cl8 N16 Pd8 -","8","1","","Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara","Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer","Macromolecules","2020","53","18","7783","7794","10.1021/acs.macromol.0c01461","","","0.7","synchrotron","","0.0362","0.0361","","","0.1052","0.1053","","","","","","1.011","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1559045","7.516","0.01","12.357","0.004","19.84","0.005","90","","90","","90","","1843","3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl3 N2 Pd -","- C18 H17 Cl3 N2 Pd -","- C72 H68 Cl12 N8 Pd4 -","4","1","","Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara","Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer","Macromolecules","2020","53","18","7783","7794","10.1021/acs.macromol.0c01461","","","0.7","synchrotron","","0.0358","0.0338","","","0.0849","0.086","","","","","","1.062","","","","has coordinates","257167","2020-10-21","18:00:00",""
"1559046","12.741","0.004","12.741","0.004","13.871","0.004","90","","90","","90","","2251.7","1.2","100","2","100","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","C6H6Â.[(C6H11NC)2Au]AsF6","","","- C20 H28 As Au F6 N2 -","- C20 H28 As Au F6 N2 -","- C80 H112 As4 Au4 F24 N8 -","4","0.25","","Luong, Lucy M. C.; Lowe, Christopher D.; Adams, Alexandria V.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Seeing Luminescence Appear as Crystals Crumble. Isolation and Subsequent Self-Association of Individual [(C6H11NC)2Au]+ Ions in Crystals.","Chemical Science","2020","","","","","10.1039/D0SC03299A","","","0.71073","MoKα","","0.0362","0.0304","","","0.0922","0.0984","","","","","","1.119","","","","has coordinates,has disorder","256329","2020-10-21","18:00:00",""
"1559047","12.948","0.004","12.948","0.004","13.943","0.004","90","","90","","90","","2337.6","1.2","100","2","100","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","C6H6Â.[(C6H11NC)2Au]SbF6","","","- C20 H28 Au F6 N2 Sb -","- C20 H28 Au F6.002 N2 Sb -","- C80 H112 Au4 F24.008 N8 Sb4 -","4","0.25","","Luong, Lucy M. C.; Lowe, Christopher D.; Adams, Alexandria V.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Seeing Luminescence Appear as Crystals Crumble. Isolation and Subsequent Self-Association of Individual [(C6H11NC)2Au]+ Ions in Crystals.","Chemical Science","2020","","","","","10.1039/D0SC03299A","","","0.71073","MoKα","","0.0568","0.0357","","","0.0848","0.0946","","","","","","1.168","","","","has coordinates,has disorder","256329","2020-10-21","18:00:00",""
"1559048","23.708","0.003","9.1838","0.001","23.643","0.003","90","","114.129","0.002","90","","4698","1","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[(C6H11NC)2Au]BArF24","","","- C46 H34 Au B F24 N2 -","- C46 H34 Au B F24 N2 -","- C184 H136 Au4 B4 F96 N8 -","4","0.5","","Luong, Lucy M. C.; Lowe, Christopher D.; Adams, Alexandria V.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Seeing Luminescence Appear as Crystals Crumble. Isolation and Subsequent Self-Association of Individual [(C6H11NC)2Au]+ Ions in Crystals.","Chemical Science","2020","","","","","10.1039/D0SC03299A","","","0.71073","MoKα","","0.0252","0.0192","","","0.0449","0.0469","","","","","","1.029","","","","has coordinates","256329","2020-10-21","18:00:00",""
"1559049","7.1789","0.0009","8.6698","0.0011","24.751","0.003","90","","90","","90","","1540.5","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 Cl N O -","- C18 H14 Cl N O -","- C72 H56 Cl4 N4 O4 -","4","1","","Sun, Chao; Qi, Xiaotian; Min, Xiao-Long; Bai, Xue-Dan; Liu, Peng; He, Ying","Asymmetric allylic substitution‒isomerization to axially chiral enamides via hydrogen-bonding assisted central-to-axial chirality transfer","Chemical Science","2020","","","","","10.1039/D0SC02828B","","","1.34139","GaKα","","0.1141","0.0874","","","0.1737","0.1863","","","","","","1.169","","","","has coordinates","256330","2020-10-21","18:00:00",""
"1559050","8.9647","0.0003","9.7465","0.0004","9.235","0.0003","90","","110.225","0.001","90","","757.15","0.05","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C38 H34 N2 O4 -","2","1","","Sun, Chao; Qi, Xiaotian; Min, Xiao-Long; Bai, Xue-Dan; Liu, Peng; He, Ying","Asymmetric allylic substitution‒isomerization to axially chiral enamides via hydrogen-bonding assisted central-to-axial chirality transfer","Chemical Science","2020","","","","","10.1039/D0SC02828B","","","1.34139","GaKα","","0.0263","0.0261","","","0.0734","0.0737","","","","","","1.068","","","","has coordinates","256330","2020-10-21","18:00:00",""
"1559051","18.2371","0.0009","9.7175","0.0004","19.5071","0.0009","90","","111.276","0.002","90","","3221.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H57 B2 N5 -","- C31 H57 B2 N5 -","- C124 H228 B8 N20 -","4","1","","Pranckevicius, Conor; Weber, Marco; Krummenacher, Ivo; Phukan, Ashwini K.; Braunschweig, Holger","Phosphinoborylenes as stable sources of fleeting borylenes","Chemical Science","2020","","","","","10.1039/D0SC04826G","","","0.71073","MoKα","","0.0698","0.049","","","0.1129","0.1279","","","","","","1.042","","","","has coordinates,has disorder","256331","2020-10-21","18:00:00",""
"1559052","9.71","0.002","11.4","0.002","18.312","0.004","88.07","0.005","79.88","0.005","65.914","0.005","1820.1","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H65 B2 N5 -","- C37 H65 B2 N5 -","- C74 H130 B4 N10 -","2","1","","Pranckevicius, Conor; Weber, Marco; Krummenacher, Ivo; Phukan, Ashwini K.; Braunschweig, Holger","Phosphinoborylenes as stable sources of fleeting borylenes","Chemical Science","2020","","","","","10.1039/D0SC04826G","","","0.71073","MoKα","","0.0959","0.0529","","","0.1081","0.1242","","","","","","1.012","","","","has coordinates","256331","2020-10-21","18:00:00",""
"1559053","19.3664","0.001","9.5507","0.0004","15.9131","0.0008","90","","92.197","0.002","90","","2941.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H52 B2 N3 P -","- C27 H52 B2 N3 P -","- C108 H208 B8 N12 P4 -","4","1","","Pranckevicius, Conor; Weber, Marco; Krummenacher, Ivo; Phukan, Ashwini K.; Braunschweig, Holger","Phosphinoborylenes as stable sources of fleeting borylenes","Chemical Science","2020","","","","","10.1039/D0SC04826G","","","0.71073","MoKα","","0.076","0.0447","","","0.0938","0.109","","","","","","1.012","","","","has coordinates,has disorder","256331","2020-10-21","18:00:00",""
"1559054","9.5211","0.001","15.981","0.0018","20.203","0.002","91.628","0.003","90.566","0.003","91.556","0.003","3071.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H48 B2 N3 Te -","- C30 H48 B2 N3 Te -","- C120 H192 B8 N12 Te4 -","4","2","","Pranckevicius, Conor; Weber, Marco; Krummenacher, Ivo; Phukan, Ashwini K.; Braunschweig, Holger","Phosphinoborylenes as stable sources of fleeting borylenes","Chemical Science","2020","","","","","10.1039/D0SC04826G","","","0.71073","MoKα","","0.0695","0.0442","","","0.0908","0.1","","","","","","0.977","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1559055","12.0336","0.0007","16.4117","0.0007","16.9907","0.0009","90","","109.529","0.004","90","","3162.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H53 B2 N5 -","- C31 H53 B2 N5 -","- C124 H212 B8 N20 -","4","1","","Pranckevicius, Conor; Weber, Marco; Krummenacher, Ivo; Phukan, Ashwini K.; Braunschweig, Holger","Phosphinoborylenes as stable sources of fleeting borylenes","Chemical Science","2020","","","","","10.1039/D0SC04826G","","","0.71073","MoKα","","0.1034","0.0523","","","0.108","0.1315","","","","","","1.016","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1559056","9.5614","0.0004","15.9406","0.0005","19.9983","0.0008","92.415","0.001","90.487","0.001","91.622","0.001","3044","0.2","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H48 B2 N3 Se -","- C30 H48 B2 N3 Se -","- C120 H192 B8 N12 Se4 -","4","2","","Pranckevicius, Conor; Weber, Marco; Krummenacher, Ivo; Phukan, Ashwini K.; Braunschweig, Holger","Phosphinoborylenes as stable sources of fleeting borylenes","Chemical Science","2020","","","","","10.1039/D0SC04826G","","","0.71073","MoKα","","0.0358","0.0303","","","0.0771","0.0806","","","","","","1.025","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1559057","9.7052","0.0007","16.6173","0.0011","15.6111","0.001","90","","107.433","0.004","90","","2402","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H28 O4 -","- C29 H28 O4 -","- C116 H112 O16 -","4","2","","Zhu, Zhou-Hao; Ding, Yi-Xuan; Wu, Bo; Zhou, Yong-Gui","Design and Synthesis of Chiral and Regenerable [2.2]Paracyclophane-Based NAD(P)H Models and Application in Biomimetic Reduction of Flavonoids","Chemical Science","2020","","","","","10.1039/D0SC04188B","","","1.54178","CuKα","","0.1176","0.0748","","","0.185","0.2229","","","","","","1.043","","","","has coordinates","256332","2020-10-21","18:00:00",""
"1559058","6.6633","0.0002","19.2862","0.0004","19.419","0.0004","90","","90","","90","","2495.53","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 O5 -","- C30 H30 O5 -","- C120 H120 O20 -","4","1","","Zhou, Zhijun; Chen, Jiachang; chen, Herong; Kong, Wangqing","Stereoselective Synthesis of Pentasubstituted 1,3-Dienes via Ni-Catalyzed Reductive Coupling of Unsymmetrical Internal Alkynes","Chemical Science","2020","","","","","10.1039/D0SC04173D","","","1.54178","CuKα","","0.0966","0.0926","","","0.2421","0.2483","","","","","","1.061","","","","has coordinates","256333","2020-10-21","18:00:00",""
"1559059","13.3144","0.0009","9.8595","0.0007","14.5355","0.001","90","","95.339","0.002","90","","1899.8","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H37 Cl3 N4 O7 -","- C41 H37 Cl3 N4 O7 -","- C82 H74 Cl6 N8 O14 -","2","1","","Zhou, Zhijun; Chen, Jiachang; chen, Herong; Kong, Wangqing","Stereoselective Synthesis of Pentasubstituted 1,3-Dienes via Ni-Catalyzed Reductive Coupling of Unsymmetrical Internal Alkynes","Chemical Science","2020","","","","","10.1039/D0SC04173D","","","0.71073","MoKα","","0.0776","0.0644","","","0.1816","0.2025","","","","","","1.068","","","","has coordinates,has disorder","256333","2020-10-21","18:00:00",""
"1559060","6.6786","0.0013","19.494","0.004","21.437","0.004","90","","92.008","0.009","90","","2789.2","0.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H30 O6 -","- C34 H30 O6 -","- C136 H120 O24 -","4","2","","Zhou, Zhijun; Chen, Jiachang; chen, Herong; Kong, Wangqing","Stereoselective Synthesis of Pentasubstituted 1,3-Dienes via Ni-Catalyzed Reductive Coupling of Unsymmetrical Internal Alkynes","Chemical Science","2020","","","","","10.1039/D0SC04173D","","","1.54178","CuKα","","0.2052","0.0967","","","0.2063","0.2695","","","","","","0.944","","","","has coordinates","256333","2020-10-21","18:00:00",""
"1559061","9.1739","0.0016","11.503","0.002","14.471","0.003","91.549","0.004","92.383","0.004","113.406","0.004","1398.6","0.5","110","2","109.98","","","","","","","","","6","P -1","-P 1","2","","BrC30Cl2SSb","","- C31 H26 Br Cl2 S Sb -","- C31 H26 Br Cl2 S Sb -","- C62 H52 Br2 Cl4 S2 Sb2 -","2","1","","Park, Gyeongjin; Gabbaï, François P.","Redox-controlled chalcogen and pnictogen bonding: the case of a sulfonium/stibonium dication as a preanionophore for chloride anion transport","Chemical Science","2020","","","","","10.1039/D0SC04417B","","","0.71073","MoKα","","0.0403","0.0339","","","0.0773","0.0819","","","","","","1.055","","","","has coordinates","256334","2020-10-21","18:00:00",""
"1559062","7.9877","0.0011","15.558","0.002","21.445","0.003","90","","90","","90","","2665","0.6","110","2","110.01","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","C30H24SBF4Sb","","- C30 H24 B F4 S Sb -","- C30 H24 B F4 S Sb -","- C120 H96 B4 F16 S4 Sb4 -","4","1","","Park, Gyeongjin; Gabbaï, François P.","Redox-controlled chalcogen and pnictogen bonding: the case of a sulfonium/stibonium dication as a preanionophore for chloride anion transport","Chemical Science","2020","","","","","10.1039/D0SC04417B","","x-ray","0.71073","MoKα","","0.0312","0.0289","","","0.075","0.077","","","","","","1.072","","","","has coordinates","256334","2020-10-21","18:00:00",""
"1559063","16.7041","0.0012","10.2829","0.0007","17.9121","0.0013","90","","107.86","0.002","90","","2928.4","0.4","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 Br S Sb -","- C33 H30 Br S Sb -","- C132 H120 Br4 S4 Sb4 -","4","1","","Park, Gyeongjin; Gabbaï, François P.","Redox-controlled chalcogen and pnictogen bonding: the case of a sulfonium/stibonium dication as a preanionophore for chloride anion transport","Chemical Science","2020","","","","","10.1039/D0SC04417B","","","0.71073","MoKα","","0.0698","0.049","","","0.1124","0.1207","","","","","","1.16","","","","has coordinates","256334","2020-10-21","18:00:00",""
"1559064","20.555","","12.162","","24.558","","90","","101.94","","90","","6006.43","","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H30 B F4 S Sb -","- C33 H30 B F4 S Sb -","- C264 H240 B8 F32 S8 Sb8 -","8","1","","Park, Gyeongjin; Gabbaï, François P.","Redox-controlled chalcogen and pnictogen bonding: the case of a sulfonium/stibonium dication as a preanionophore for chloride anion transport","Chemical Science","2020","","","","","10.1039/D0SC04417B","","","0.71073","MoKα","","0.0298","0.0219","","","0.0465","0.0499","","","","","","1.062","","","","has coordinates","256334","2020-10-21","18:00:00",""
"1559065","15.494","0.002","10.9891","0.0016","19.761","0.003","90","","110.566","0.007","90","","3150.2","0.8","110","","109.98","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","J_Me_BF4","","- C64 H58 B3 Cl4 F13 S2 Sb2 -","- C64 H58 B3 Cl4 F13 S2 Sb2 -","- C128 H116 B6 Cl8 F26 S4 Sb4 -","2","0.5","","Park, Gyeongjin; Gabbaï, François P.","Redox-controlled chalcogen and pnictogen bonding: the case of a sulfonium/stibonium dication as a preanionophore for chloride anion transport","Chemical Science","2020","","","","","10.1039/D0SC04417B","","","0.71073","MoKα","","0.0471","0.0405","","","0.1013","0.11","","","","","","1.11","","","","has coordinates","256334","2020-10-21","18:00:00",""
"1559070","42.9589","0.0006","42.9589","0.0006","42.9589","0.0006","90","","90","","90","","79279.2","1.9","150","2","150","2","","","","","","","","7","F 2 3","F 2 2 3","196","","","","- C640 H644 B24 Cd12 F96 N188 O4 -","- C480 H396 Cd12 N108 O4 -","- C1920 H1584 Cd48 N432 O16 -","4","0.0833333","","Argent, Stephen P.; Jackson, Fiona C.; Chan, Ho Man; Meyrick, Sam; Taylor, Christopher G. P.; Ronson, Tanya K.; Rourke, Jonathan P.; Ward, Michael D.","A family of diastereomeric dodecanuclear coordination cages based on inversion of chirality of individual triangular cyclic helicate faces","Chemical Science","2020","","","","","10.1039/D0SC04347H","","x-ray","1.54184","CuKα","","0.1246","0.1104","","","0.2944","0.3288","","","","","","1.791","","","","has coordinates","256370","2020-10-21","18:00:00",""
"1559071","89.68","0.03","24.7801","0.001","51.463","0.019","90","","147.82","0.09","90","","60909","16","150.04","0.11","150.04","0.11","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C504 H472 B24 Cd12 F96 N120 O20 -","- C480 H396 B10.5 Cd12 F42 N108 O9.24 -","- C1920 H1584 B42 Cd48 F168 N432 O36.96 -","4","0.5","","Argent, Stephen P.; Jackson, Fiona C.; Chan, Ho Man; Meyrick, Sam; Taylor, Christopher G. P.; Ronson, Tanya K.; Rourke, Jonathan P.; Ward, Michael D.","A family of diastereomeric dodecanuclear coordination cages based on inversion of chirality of individual triangular cyclic helicate faces","Chemical Science","2020","","","","","10.1039/D0SC04347H","","x-ray","1.54184","CuKα","","0.1632","0.1287","","","0.3762","0.4159","","","","","","1.565","","","","has coordinates,has disorder","256370","2020-10-21","18:00:00",""
"1559072","26.5845","0.0008","53.3766","0.001","44.0442","0.0008","90","","94.842","0.002","90","","62275","2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C560 H556 B24 Cd12 F96 N148 O20 -","- C506.12 H432.02 B16.597 Cd12 F66.388 N117.74 O19.7 -","- C2024.48 H1728.08 B66.388 Cd48 F265.552 N470.96 O78.8 -","4","1","","Argent, Stephen P.; Jackson, Fiona C.; Chan, Ho Man; Meyrick, Sam; Taylor, Christopher G. P.; Ronson, Tanya K.; Rourke, Jonathan P.; Ward, Michael D.","A family of diastereomeric dodecanuclear coordination cages based on inversion of chirality of individual triangular cyclic helicate faces","Chemical Science","2020","","","","","10.1039/D0SC04347H","","x-ray","1.54184","CuKα","","0.186","0.151","","","0.3876","0.4184","","","","","","1.429","","","","has coordinates,has disorder","256370","2020-10-21","18:00:00",""
"1559073","3.7464","0.0002","11.8946","0.0006","20.2094","0.0011","90","","93.506","0.002","90","","898.88","0.08","113","2","113","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H2.5 O4 S8 -","- C12 H2.5 O4 S8 -","- C24 H5 O8 S16 -","2","0.5","","Kobayashi, Yuka; Hirata, Kazuto; Hood, Samantha; Yang, Hui; Walsh, Aron; Matsushita, Yoshitaka; Ishioka, Kunie","Crystal structure and metallization mechanism of the π-radical metal TED","Chemical Science","2020","","","","","10.1039/D0SC03521A","","","0.71073","MoKα","","0.0573","0.0538","","","0.1571","0.1595","","","","","","1.154","","","","has coordinates","256371","2020-10-21","18:00:00",""
"1559074","9.394","0.005","9.802","0.005","11.914","0.006","88.983","0.005","73.144","0.005","69.488","0.005","979","0.9","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","6-(3,4-Difluorophenyl)-7,8,13,14-tetrahydrodibenzo[<i>c</i>,<i>k</i>]phenanthridine","","- C27 H19 F2 N -","- C27 H19 F2 N -","- C54 H38 F4 N2 -","2","1","HB4358","Fang, Yiwen; Liu, Bingbing; Jia, Zhixiang","6-(3,4-Difluorophenyl)-7,8,13,14-tetrahydrodibenzo[<i>c</i>,<i>k</i>]phenanthridine","IUCrData","2020","5","9","x201241","","10.1107/S2414314620012419","","","0.71073","MoKα","","0.081","0.0627","","","0.1751","0.1895","","","","","","1.057","","","","has coordinates,has Fobs","256388","2020-10-21","18:00:00",""
"1559075","7.725","0.003","12.721","0.003","14.609","0.004","70.67","0.03","82.88","0.03","80.46","0.03","1332.3","0.8","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","Diaquabis(4-ferrocenyl-1,1,1-trifluoro-4-oxobutan-2-olato)cobalt(II)","","- C28 H24 Co F6 Fe2 O6 -","- C28 H24 Co F6 Fe2 O6 -","- C56 H48 Co2 F12 Fe4 O12 -","2","1","HB4360","Wang, Shujing; Han, Heguo; Han, Yuyang","Diaquabis(4-ferrocenyl-1,1,1-trifluoro-4-oxobutan-2-olato)cobalt(II)","IUCrData","2020","5","9","x201240","","10.1107/S2414314620012407","","","1.54186","CuKα","","0.07","0.0485","","","0.1138","0.1273","","","","","","1.05","","","","has coordinates,has Fobs","256389","2020-10-21","18:00:00",""
"1559081","11.3797","0.001","8.082","0.0004","28.058","0.002","90","","99.811","0.006","90","","2542.8","0.3","295","1","295","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(25R)-5α-Spirostan-3β,5-diol","","- C27 H45 O4.5 -","- C27 H45 O4.5 -","- C108 H180 O18 -","4","2","","Hilario-Martínez, J. Ciciolil; Murillo, Fernando; García-Méndez, Jair; Dzib, Eugenia; Sandoval-Ramírez, Jesús; Muñoz-Hernández, Miguel Ángel; Bernès, Sylvain; Kürti, László; Duarte, Fernanda; Merino, Gabriel; Fernández-Herrera, María A.","trans-Hydroboration‒oxidation products in Δ5-steroids via a hydroboration-retro-hydroboration mechanism","Chemical Science","2020","11","47","12764","12768","10.1039/D0SC01701A","","x-ray","0.56083","AgKα","","0.1376","0.041","","","0.0571","0.0698","","","","","","0.602","","","","has coordinates","260727","2021-01-07","05:35:31",""
"1559082","8.3599","0.0003","10.7489","0.0004","28.4769","0.0014","90","","90","","90","","2558.93","0.18","295","1","295","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5α-Cholestane-3β,6β-diol","","- C27 H48 O2 -","- C27 H48 O2 -","- C108 H192 O8 -","4","1","","Hilario-Martínez, J. Ciciolil; Murillo, Fernando; García-Méndez, Jair; Dzib, Eugenia; Sandoval-Ramírez, Jesús; Muñoz-Hernández, Miguel Ángel; Bernès, Sylvain; Kürti, László; Duarte, Fernanda; Merino, Gabriel; Fernández-Herrera, María A.","trans-Hydroboration‒oxidation products in Δ5-steroids via a hydroboration-retro-hydroboration mechanism","Chemical Science","2020","11","47","12764","12768","10.1039/D0SC01701A","","x-ray","0.56083","AgKα","","0.0987","0.043","","","0.0862","0.0977","","","","","","0.767","","","","has coordinates,has disorder","260727","2021-01-07","05:35:32",""
"1559083","8.1858","0.0003","10.4115","0.0006","30.9258","0.0012","90","","90","","90","","2635.7","0.2","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5β-Cholestane-3β,6β-diol","","- C27 H47 D O2 -","- C27 H47 D O2 -","- C108 H188 D4 O8 -","4","1","","Hilario-Martínez, J. Ciciolil; Murillo, Fernando; García-Méndez, Jair; Dzib, Eugenia; Sandoval-Ramírez, Jesús; Muñoz-Hernández, Miguel Ángel; Bernès, Sylvain; Kürti, László; Duarte, Fernanda; Merino, Gabriel; Fernández-Herrera, María A.","trans-Hydroboration‒oxidation products in Δ5-steroids via a hydroboration-retro-hydroboration mechanism","Chemical Science","2020","11","47","12764","12768","10.1039/D0SC01701A","","x-ray","0.56083","AgKα","","0.1241","0.0493","","","0.1181","0.1381","","","","","","0.811","","","","has coordinates,has disorder","260727","2021-01-07","05:35:32",""
"1559084","8.2099","0.0002","9.1989","0.0003","32.4182","0.0014","90","","90","","90","","2448.29","0.15","295","1","295","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(25R)-5β-Spirostan-3β,6β-diol","","- C27 H44 O4 -","- C27 H44 O4 -","- C108 H176 O16 -","4","1","","Hilario-Martínez, J. Ciciolil; Murillo, Fernando; García-Méndez, Jair; Dzib, Eugenia; Sandoval-Ramírez, Jesús; Muñoz-Hernández, Miguel Ángel; Bernès, Sylvain; Kürti, László; Duarte, Fernanda; Merino, Gabriel; Fernández-Herrera, María A.","trans-Hydroboration‒oxidation products in Δ5-steroids via a hydroboration-retro-hydroboration mechanism","Chemical Science","2020","11","47","12764","12768","10.1039/D0SC01701A","","x-ray","0.56083","AgKα","","0.0681","0.0391","","","0.0768","0.083","","","","","","0.863","","","","has coordinates","260727","2021-01-07","05:35:32",""
"1559089","10.4344","0.0002","12.4456","0.0003","16.3498","0.0004","90","","96.795","0.002","90","","2108.31","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Cl Ir N O -","- C22 H30 Cl Ir N O -","- C88 H120 Cl4 Ir4 N4 O4 -","4","1","","Shimizu, Hideo; Maeda, Hironori; Nara, Hideki","Highly Productive α-Alkylation of Ketones with Alcohols Mediated by an Ir‒Oxalamidato/Solid Base Catalyst System","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00362","","x-ray","0.71073","MoKα","","0.0336","0.0253","","","0.0535","0.0561","","","","","","1.021","","","","has coordinates","256434","2020-10-21","18:00:00",""
"1559090","8.6176","0.0002","9.8322","0.0003","26.348","0.0008","90","","96.471","0.003","90","","2218.24","0.11","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cl Ir N O2 -","- C22 H30 Cl Ir N O2 -","- C88 H120 Cl4 Ir4 N4 O8 -","4","1","","Shimizu, Hideo; Maeda, Hironori; Nara, Hideki","Highly Productive α-Alkylation of Ketones with Alcohols Mediated by an Ir‒Oxalamidato/Solid Base Catalyst System","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00362","","x-ray","0.71073","MoKα","","0.0426","0.0321","","","0.065","0.0706","","","","","","1.062","","","","has coordinates","256435","2020-10-21","18:00:00",""
"1559091","7.68126","0.00019","22.6995","0.0005","17.94","0.0003","90","","95.2798","0.0019","90","","3114.76","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 Cl4 N O4 S -","- C30 H31 Cl4 N O4 S -","- C120 H124 Cl16 N4 O16 S4 -","4","1","","Lv, Mengya; Zhang, Yanhao; Fan, Jiayi; Yang, Yanyun; Chen, Sheng; Liang, Gaolin; Zhang, Shusheng","A near-infrared fluorescent probe for ratiometric sensing of SO2 in cells and zebrafish","The Analyst","2020","","","","","10.1039/D0AN01468K","","x-ray","1.54184","CuKα","","0.0839","0.0683","","","0.197","0.2148","","","","","","1.05","","","","has coordinates,has disorder","256436","2020-10-21","18:00:00",""
"1559092","13.2096","0.0014","4.9765","0.0005","13.5673","0.0014","90","","98.603","0.002","90","","881.85","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-Diamino-4-chloropyrimidine‒succinic acid (2/1)","","- C12 H16 Cl2 N8 O4 -","- C12 H16 Cl2 N8 O4 -","- C24 H32 Cl4 N16 O8 -","2","0.5","HB4365","Chakkarapani, Nandhini; Murugan, Suganya; Ibrahim, Abdul Razak; Kavitha, Savaridasan Jose; Hemamalini, Madhukar; Rajakannan, Venkatachalam","2,6-Diamino-4-chloropyrimidine‒succinic acid (2/1)","IUCrData","2020","5","9","x201239","","10.1107/S2414314620012390","","","0.71073","MoKα","","0.0545","0.0434","","","0.1171","0.1282","","","","","","1.04","","","","has coordinates,has Fobs","256454","2020-10-21","18:00:00",""
"1559093","8.4636","0.0013","9.8402","0.0015","22.701","0.003","90","","105.917","0.005","90","","1818.1","0.5","296.15","","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(3<i>Z</i>,5<i>E</i>)-2-Amino-4,6-bis(pyridin-3-yl)hepta-1,3,5-triene-1,1,3-tricarbonitrile","","- C20 H14 N6 -","- C20 H14 N6 -","- C80 H56 N24 -","4","1","HB4363","Cai, Changting; Lin, Bicheng; Wu, Wenxuan; Zhu, Qingwei","(3<i>Z</i>,5<i>E</i>)-2-Amino-4,6-bis(pyridin-3-yl)hepta-1,3,5-triene-1,1,3-tricarbonitrile","IUCrData","2020","5","9","x201246","","10.1107/S2414314620012468","","","0.71073","MoKα","","0.0491","0.0419","","","0.1083","0.1141","","","","","","1.033","","","","has coordinates,has Fobs","256455","2020-10-21","18:00:00",""
"1559094","7.7633","0.0002","10.4691","0.0003","22.3209","0.0007","90","","90.211","0.001","90","","1814.11","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H25 O5.5 -","- C20 H24 O5.5 -","- C80 H96 O22 -","4","2","","Zhang, Xing-Jie; Zhong, Wei-Mao; Liu, Rui-Xue; Wang, Yong-Mei; Luo, Ting; Zou, Yan; Qin, Hua-Yan; Li, Xiao-Li; Zhang, Ruihan; Xiao, Wei-Lie","Structurally Diverse Labdane Diterpenoids from <i>Leonurus japonicus</i> and Their Anti-inflammatory Properties in LPS-Induced RAW264.7 Cells.","Journal of natural products","2020","83","9","2545","2558","10.1021/acs.jnatprod.9b00597","","","1.54178","CuKα","","0.0782","0.0755","","","0.1916","0.2016","","","","","","1.048","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1559095","9.4086","0.0002","11.8075","0.0003","18.603","0.0004","90","","90","","90","","2066.65","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O6 -","- C22 H32 O6 -","- C88 H128 O24 -","4","1","","Zhang, Xing-Jie; Zhong, Wei-Mao; Liu, Rui-Xue; Wang, Yong-Mei; Luo, Ting; Zou, Yan; Qin, Hua-Yan; Li, Xiao-Li; Zhang, Ruihan; Xiao, Wei-Lie","Structurally Diverse Labdane Diterpenoids from <i>Leonurus japonicus</i> and Their Anti-inflammatory Properties in LPS-Induced RAW264.7 Cells.","Journal of natural products","2020","83","9","2545","2558","10.1021/acs.jnatprod.9b00597","","","1.54178","CuKα","","0.0429","0.0425","","","0.114","0.1146","","","","","","1.052","","","","has coordinates","257123","2020-10-21","18:00:00",""
"1559096","20.0884","0.0009","7.2756","0.0003","20.7899","0.0009","90","","99.331","0.003","90","","2998.3","0.2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 B Br F3 N2 O2 -","- C11 H15 B Br F3 N2 O2 -","- C88 H120 B8 Br8 F24 N16 O16 -","8","1","","Tairov, Maxim A.; Levchenko, Vitalina; Stadniy, Ivan A.; Dmytriv, Yurii V.; Dehtiarov, Serhii O.; Kibalnyi, Mykola O.; Melnyk, Anton V.; Veselovych, Stanislav Y.; Borodulin, Yurii V.; Kolotilov, Sergey V.; Ryabukhin, Sergey V.; Volochnyuk, Dmitriy M.","Practical Synthetic Method for Functionalized 1-Methyl-3/5-(trifluoromethyl)-1H-pyrazoles","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00300","","","0.71073","MoKα","","0.093","0.0434","","","0.0839","0.1005","","","","","","1.01","","","","has coordinates","256473","2020-10-21","18:00:00",""
"1559097","8.7417","0.0005","11.0177","0.0006","19.073","0.0011","90","","101.123","0.006","90","","1802.48","0.18","199.9","0.2","199.9","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 N -","- C25 H19 N -","- C100 H76 N4 -","4","1","","Nori, Valeria; Dasgupta, Ayan; Babaahmadi, Rasool; Carlone, Armando; Ariafard, Alireza; Melen, Rebecca L.","Triarylborane catalysed N-alkylation of amines with aryl esters","Catalysis Science & Technology","2020","10","22","7523","7530","10.1039/D0CY01339K","","","0.71073","MoKα","","0.0689","0.0509","","","0.1227","0.1331","","","","","","1.058","","","","has coordinates","259601","2020-12-06","13:07:25",""
"1559098","8.9007","0.0004","11.1893","0.0004","18.1967","0.0007","90","","93.764","0.004","90","","1808.35","0.13","199.9","0.2","199.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F2 N -","- C23 H19 F2 N -","- C92 H76 F8 N4 -","4","1","","Nori, Valeria; Dasgupta, Ayan; Babaahmadi, Rasool; Carlone, Armando; Ariafard, Alireza; Melen, Rebecca L.","Triarylborane catalysed N-alkylation of amines with aryl esters","Catalysis Science & Technology","2020","10","22","7523","7530","10.1039/D0CY01339K","","","0.71073","MoKα","","0.0638","0.0498","","","0.1323","0.1425","","","","","","1.058","","","","has coordinates","259601","2020-12-06","13:07:25",""
"1559099","7.7","0.0005","8.2465","0.0005","17.9156","0.0008","89.138","0.004","79.878","0.004","75.346","0.005","1082.95","0.11","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C52 H62 Si2 -","- C52 H62 Si2 -","- C52 H62 Si2 -","1","0.5","","Jousselin-Oba, Tanguy; Mamada, Masashi; Okazawa, Atsushi; Marrot, Jérome; Ishida, Takayuki; Adachi, Chihaya; Yassar, Abderrahim; Frigoli, Michel","Modulating the ground state, stability and charge transport in OFETs of biradicaloid Hexahydro-diindenopyrene derivatives and a proposed method to estimate the biradical character","Chemical Science","2020","","","","","10.1039/D0SC04583G","","x-ray","0.71073","MoKα","","0.0589","0.0448","","","0.1166","0.1234","","","","","","1.051","","","","has coordinates","256482","2020-10-21","18:00:00",""
"1559100","8.8789","0.0006","12.7356","0.0005","14.6701","0.0009","99.626","0.004","104.748","0.006","98.811","0.004","1547.94","0.17","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C78 H90 Si2 -","- C78 H90 Si2 -","- C78 H90 Si2 -","1","0.5","","Jousselin-Oba, Tanguy; Mamada, Masashi; Okazawa, Atsushi; Marrot, Jérome; Ishida, Takayuki; Adachi, Chihaya; Yassar, Abderrahim; Frigoli, Michel","Modulating the ground state, stability and charge transport in OFETs of biradicaloid Hexahydro-diindenopyrene derivatives and a proposed method to estimate the biradical character","Chemical Science","2020","","","","","10.1039/D0SC04583G","","x-ray","0.71073","MoKα","","0.0803","0.0585","","","0.1336","0.1435","","","","","","1.03","","","","has coordinates","256482","2020-10-21","18:00:00",""
"1559101","11.6952","0.0003","12.3024","0.0003","18.2803","0.0005","72.922","0.001","72.859","0.001","66.635","0.001","2259.89","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H60 O Si2 -","- C52 H60 O Si2 -","- C104 H120 O2 Si4 -","2","1","","Jousselin-Oba, Tanguy; Mamada, Masashi; Okazawa, Atsushi; Marrot, Jérome; Ishida, Takayuki; Adachi, Chihaya; Yassar, Abderrahim; Frigoli, Michel","Modulating the ground state, stability and charge transport in OFETs of biradicaloid Hexahydro-diindenopyrene derivatives and a proposed method to estimate the biradical character","Chemical Science","2020","","","","","10.1039/D0SC04583G","","","0.71073","MoKα","","0.1077","0.0801","","","0.2111","0.2323","","","","","","1.052","","","","has coordinates","256482","2020-10-21","18:00:00",""
"1559102","8.1631","0.0003","13.8454","0.0006","21.1693","0.0008","90","","91.995","0.004","90","","2391.13","0.16","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H66 Si2 -","- C60 H66 Si2 -","- C120 H132 Si4 -","2","0.5","","Jousselin-Oba, Tanguy; Mamada, Masashi; Okazawa, Atsushi; Marrot, Jérome; Ishida, Takayuki; Adachi, Chihaya; Yassar, Abderrahim; Frigoli, Michel","Modulating the ground state, stability and charge transport in OFETs of biradicaloid Hexahydro-diindenopyrene derivatives and a proposed method to estimate the biradical character","Chemical Science","2020","","","","","10.1039/D0SC04583G","","x-ray","0.71073","MoKα","","0.0587","0.0421","","","0.0971","0.1027","","","","","","1.028","","","","has coordinates","256482","2020-10-21","18:00:00",""
"1559103","12.4231","0.0004","13.9327","0.0005","21.1782","0.0007","96.811","0.003","101.236","0.003","108.67","0.003","3341","0.2","223","2","223.15","","","","","","","","","5","P -1","-P 1","2","","","","- C73.5 H92 N4 O4 Si2 -","- C73.5 H92 N4 O4 Si2 -","- C147 H184 N8 O8 Si4 -","2","1","","Zhang , Guowei; Zhang, Lei; Lv, Aifeng; Yang, Xingzhou; Zheng, Yonghao; Gu, Wen; Xue, Ning","Regiocontrolled Dimerization of Asymmetric Diazaheptacene Derivatives Toward X-shaped Porous Semiconductors","Chemical Science","2020","","","","","10.1039/D0SC03744C","","","0.71073","MoKα","","0.1201","0.0818","","","0.22","0.2446","","","","","","1.026","","","","has coordinates,has disorder","256483","2020-10-21","18:00:00",""
"1559104","26.37","0.002","26.4347","0.001","24.2245","0.0019","90","","120.504","0.008","90","","14549","2","169.99","0.13","169.99","0.13","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C154 H176 Br4 F8 N8 O8 Si4 -","- C154 H176 Br4 F8 N8 O8 Si4 -","- C616 H704 Br16 F32 N32 O32 Si16 -","4","0.5","","Zhang , Guowei; Zhang, Lei; Lv, Aifeng; Yang, Xingzhou; Zheng, Yonghao; Gu, Wen; Xue, Ning","Regiocontrolled Dimerization of Asymmetric Diazaheptacene Derivatives Toward X-shaped Porous Semiconductors","Chemical Science","2020","","","","","10.1039/D0SC03744C","","x-ray","1.54178","CuKα","","0.1675","0.1345","","","0.347","0.3635","","","","","","2.092","","","","has coordinates","256483","2020-10-21","18:00:00",""
"1559105","18.8621","0.0003","25.042","0.0003","34.0452","0.0006","74.283","0.001","77.959","0.002","68.381","0.002","14284.1","0.4","169.99","0.13","169.99","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C154 H184 Br4 N8 O8 Si4 -","- C154 H184 Br4 N8 O8 Si4 -","- C616 H736 Br16 N32 O32 Si16 -","4","2","","Zhang , Guowei; Zhang, Lei; Lv, Aifeng; Yang, Xingzhou; Zheng, Yonghao; Gu, Wen; Xue, Ning","Regiocontrolled Dimerization of Asymmetric Diazaheptacene Derivatives Toward X-shaped Porous Semiconductors","Chemical Science","2020","","","","","10.1039/D0SC03744C","","x-ray","1.54184","CuKα","","0.1389","0.1103","","","0.2929","0.3159","","","","","","1.945","","","","has coordinates,has disorder","256483","2020-10-21","18:00:00",""
"1559106","10.2793","0.0003","20.7357","0.0006","10.878","0.0003","90","","104.681","0.003","90","","2242.93","0.12","290.99","0.1","290.99","0.1","","","","","","","Obtained by synthesis","5","P 1 21/c 1","-P 2ybc","14","","methyl 2-(2,5-diphenylthiophen-3-yl)ferrocenylformate","","- C28 H22 Fe O2 S -","- C28 H22 Fe O2 S -","- C112 H88 Fe4 O8 S4 -","4","1","","Yan, Lipeng; Lan, Jingbo; Cheng, Hu; Li, Yihang; Zhang, Mangang; Wu, Di; You, Jingsong","Regioselective addition/annulation of ferrocenyl thioamides with 1,3-diynes via a sulfur-transfer rearrangement to construct extended π-conjugated ferrocenes with luminescent property","Chemical Science","2020","","","","","10.1039/D0SC04597G","","x-ray","1.54184","CuKα","","0.078","0.07","","","0.2181","0.2244","","","","","","1.127","","","","has coordinates","256484","2020-10-21","18:00:00",""
"1559107","13.4843","0.0005","14.5316","0.0006","26.5664","0.001","90","","90","","90","","5205.6","0.3","293","2","293.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H30 Fe N O1.5 -","- C32 H30 Fe N O1.5 -","- C256 H240 Fe8 N8 O12 -","8","1","","Yan, Lipeng; Lan, Jingbo; Cheng, Hu; Li, Yihang; Zhang, Mangang; Wu, Di; You, Jingsong","Regioselective addition/annulation of ferrocenyl thioamides with 1,3-diynes via a sulfur-transfer rearrangement to construct extended π-conjugated ferrocenes with luminescent property","Chemical Science","2020","","","","","10.1039/D0SC04597G","","x-ray","0.71073","MoKα","","0.0858","0.0448","","","0.0954","0.1091","","","","","","1.001","","","","has coordinates","256484","2020-10-21","18:00:00",""
"1559108","8.89899","0.0001","15.8901","0.0002","19.5785","0.0002","90","","97.0681","0.0012","90","","2747.48","0.05","293.06","0.1","293.06","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 Fe N O S -","- C34 H27 Fe N O S -","- C136 H108 Fe4 N4 O4 S4 -","4","1","","Yan, Lipeng; Lan, Jingbo; Cheng, Hu; Li, Yihang; Zhang, Mangang; Wu, Di; You, Jingsong","Regioselective addition/annulation of ferrocenyl thioamides with 1,3-diynes via a sulfur-transfer rearrangement to construct extended π-conjugated ferrocenes with luminescent property","Chemical Science","2020","","","","","10.1039/D0SC04597G","","x-ray","1.54184","CuKα","","0.063","0.0522","","","0.1381","0.1473","","","","","","1.018","","","","has coordinates","256484","2020-10-21","18:00:00",""
"1559109","7.402","0.0002","13.4298","0.0004","26.9766","0.0009","90","","90","","90","","2681.67","0.14","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 O9 -","- C30 H38 O9 -","- C120 H152 O36 -","4","1","","Wang, Cheng; Li, Shang; Zhao, Jinhua; Yang, Huali; Yin, Fucheng; Ding, Ming; Luo, Jianguang; Wang, Xiao-Bing; Kong, Ling-Yi","Design and SAR of withangulatin A analogs that act as covalent TrxR inhibitors through Michael addition reaction showing potential in cancer treatment.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.0c01128","","","1.54178","CuKα","","0.0644","0.0468","","","0.0996","0.1108","","","","","","0.995","","","","has coordinates","256495","2020-10-21","18:00:00",""
"1559110","7.3618","0.0001","14.3967","0.0004","14.8046","0.0003","64.933","0.002","83.768","0.002","83.692","0.002","1409.33","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 F3 N2 O3 -","- C14 H13 F3 N2 O3 -","- C56 H52 F12 N8 O12 -","4","2","","Sun, Xi-Shang; Wang, Xing-Heng; Tao, Hai-Yan; Wei, Liang; Wang, Chun-Jiang","Catalytic Asymmetric Synthesis of Quaternary Trifluoromethyl α- to ϵ-Amino Acid Derivatives via Umpolung Allylation/2-aza-Cope Rearrangement","Chemical Science","2020","","","","","10.1039/D0SC04685J","","x-ray","1.54184","CuKα","","0.0327","0.0322","","","0.0805","0.0809","","","","","","1.056","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1559111","6.2073","0.0002","7.638","0.0001","34.6279","0.0009","90","","90","","90","","1641.76","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 F3 N O2 -","- C18 H18 F3 N O2 -","- C72 H72 F12 N4 O8 -","4","1","","Sun, Xi-Shang; Wang, Xing-Heng; Tao, Hai-Yan; Wei, Liang; Wang, Chun-Jiang","Catalytic Asymmetric Synthesis of Quaternary Trifluoromethyl α- to ϵ-Amino Acid Derivatives via Umpolung Allylation/2-aza-Cope Rearrangement","Chemical Science","2020","","","","","10.1039/D0SC04685J","","x-ray","1.54178","CuKα","","0.1281","0.1262","","","0.3226","0.3242","","","","","","1.087","","","","has coordinates","256512","2020-10-21","18:00:00",""
"1559112","12.227","0.005","15.501","0.005","12.834","0.004","90","","100.74","0.02","90","","2389.8","1.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H25 F3 N2 O3 -","- C24 H25 F3 N2 O3 -","- C96 H100 F12 N8 O12 -","4","2","","Sun, Xi-Shang; Wang, Xing-Heng; Tao, Hai-Yan; Wei, Liang; Wang, Chun-Jiang","Catalytic Asymmetric Synthesis of Quaternary Trifluoromethyl α- to ϵ-Amino Acid Derivatives via Umpolung Allylation/2-aza-Cope Rearrangement","Chemical Science","2020","","","","","10.1039/D0SC04685J","","","1.54178","CuKα","","0.0851","0.0541","","","0.1301","0.1475","","","","","","1.028","","","","has coordinates","256512","2020-10-21","18:00:00",""
"1559113","15.1464","0.0002","16.9612","0.0002","26.1549","0.0002","90","","103.943","0.001","90","","6521.25","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H89 In N2 O3 P2 -","- C65 H89 In N2 O3 P2 -","- C260 H356 In4 N8 O12 P8 -","4","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0312","0.0275","","","0.0699","0.0722","","","","","","1.025","","","","has coordinates,has disorder","259602","2020-12-06","13:07:50",""
"1559114","11.4385","0.0004","15.3688","0.0005","15.4343","0.0005","83.413","0.003","78.85","0.003","78.526","0.003","2600.66","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H74 N2 O2 P2 -","- C50 H74 N2 O2 P2 -","- C100 H148 N4 O4 P4 -","2","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0548","0.0451","","","0.1199","0.1289","","","","","","1.027","","","","has coordinates,has disorder","259602","2020-12-06","13:07:50",""
"1559115","11.128","0.0001","18.2363","0.0002","30.9376","0.0004","90","","90","","90","","6278.28","0.12","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H85 In N2 O5 P2 -","- C57 H85 In N2 O5 P2 -","- C228 H340 In4 N8 O20 P8 -","4","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0281","0.0255","","","0.0615","0.0628","","","","","","1.031","","","","has coordinates","259602","2020-12-06","13:07:50",""
"1559116","20.6809","0.0002","18.5748","0.0002","15.7154","0.0002","90","","90","","90","","6036.97","0.12","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C65 H87 In N2 O4 P2 -","- C65 H87 In N2 O4 P2 -","- C260 H348 In4 N8 O16 P8 -","4","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0291","0.027","","","0.0692","0.0707","","","","","","1.067","","","","has coordinates","259602","2020-12-06","13:07:50",""
"1559117","10.9894","0.0002","28.7519","0.001","19.81","0.0004","90","","91.214","0.002","90","","6257.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H102 In N2 O3 P2 -","- C63 H102 In N2 O3 P2 -","- C252 H408 In4 N8 O12 P8 -","4","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0803","0.0584","","","0.1442","0.1581","","","","","","1.026","","","","has coordinates,has disorder","259602","2020-12-06","13:07:50",""
"1559118","14.2993","0.0006","14.3196","0.0006","17.8201","0.0006","105.16","0.004","107.065","0.004","96.826","0.004","3290.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H77 In N2 O3 P2 -","- C52 H77 In N2 O3 P2 -","- C104 H154 In2 N4 O6 P4 -","2","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0887","0.0671","","","0.1656","0.1842","","","","","","0.987","","","","has coordinates,has disorder","259602","2020-12-06","13:07:50",""
"1559119","7.7242","0.0002","11.1154","0.0002","21.8365","0.0004","90","","90","","90","","1874.83","0.07","90","0.2","90","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Au F6 N2 P S2 -","- C15 H16 Au F6 N2 P S2 -","- C60 H64 Au4 F24 N8 P4 S8 -","4","1","","Mertens, Randall T.; Parkin, Sean; Awuah, Samuel G.","Cancer cell-selective modulation of mitochondrial respiration and metabolism by potent organogold(iii) dithiocarbamates","Chemical Science","2020","","","","","10.1039/D0SC03628E","","","0.71073","MoKα","","0.0123","0.0117","","","0.0246","0.0248","","","","","","0.89","","","","has coordinates","256553","2020-10-21","18:00:00",""
"1559120","24.858","0.005","7.8812","0.0016","21.855","0.004","90","","97.33","0.03","90","","4246.6","1.5","90","0.2","90","0.2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Au F6 N2 O P S2 -","- C18 H18 Au F6 N2 O P S2 -","- C144 H144 Au8 F48 N16 O8 P8 S16 -","8","2","","Mertens, Randall T.; Parkin, Sean; Awuah, Samuel G.","Cancer cell-selective modulation of mitochondrial respiration and metabolism by potent organogold(iii) dithiocarbamates","Chemical Science","2020","","","","","10.1039/D0SC03628E","","","0.71073","MoKα","","0.0251","0.0153","","","0.0323","0.0343","","","","","","1.021","","","","has coordinates","256553","2020-10-21","18:00:00",""
"1559121","9.7833","0.0002","10.9241","0.0002","13.6127","0.0003","104.794","0.001","90.616","0.001","93.105","0.001","1404.09","0.05","90","0.2","90","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H30 Au F6 N3 O1.5 P S2 -","- C26 H30 Au F6 N3 O1.5 P S2 -","- C52 H60 Au2 F12 N6 O3 P2 S4 -","2","1","","Mertens, Randall T.; Parkin, Sean; Awuah, Samuel G.","Cancer cell-selective modulation of mitochondrial respiration and metabolism by potent organogold(iii) dithiocarbamates","Chemical Science","2020","","","","","10.1039/D0SC03628E","","","0.71073","MoKα","","0.0158","0.0147","","","0.0344","0.0349","","","","","","1.089","","","","has coordinates,has disorder","256553","2020-10-21","18:00:00",""
"1559122","14.475","0.0004","17.9946","0.0005","8.0979","0.0002","90","","90","","90","","2109.27","0.1","90","0.2","90","0.2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C18 H20 Au F6 N2 P S2 -","- C18 H20 Au F6 N2 P S2 -","- C72 H80 Au4 F24 N8 P4 S8 -","4","1","","Mertens, Randall T.; Parkin, Sean; Awuah, Samuel G.","Cancer cell-selective modulation of mitochondrial respiration and metabolism by potent organogold(iii) dithiocarbamates","Chemical Science","2020","","","","","10.1039/D0SC03628E","","","0.71073","MoKα","","0.0164","0.0144","","","0.0345","0.0354","","","","","","1.055","","","","has coordinates","256553","2020-10-21","18:00:00",""
"1559123","14.1989","0.0004","18.1306","0.0005","8.1046","0.0002","90","","90","","90","","2086.4","0.1","90","0.2","90","0.2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C17 H20 Au F6 N2 P S2 -","- C17 H20 Au F6 N2 P S2 -","- C68 H80 Au4 F24 N8 P4 S8 -","4","1","","Mertens, Randall T.; Parkin, Sean; Awuah, Samuel G.","Cancer cell-selective modulation of mitochondrial respiration and metabolism by potent organogold(iii) dithiocarbamates","Chemical Science","2020","","","","","10.1039/D0SC03628E","","","0.71073","MoKα","","0.026","0.0238","","","0.0517","0.0522","","","","","","1.304","","","","has coordinates,has disorder","256553","2020-10-21","18:00:00",""
"1559124","16.7584","0.0015","13.6696","0.0014","16.0291","0.0017","90","","111.125","0.005","90","","3425.2","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2'-Oxybis[1,3-bis(4-methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>d</i>][1,3,2]diazaborole]","","- C40 H36 B2 N4 O5 -","- C40 H36 B2 N4 O5 -","- C160 H144 B8 N16 O20 -","4","1","HB4361","Mallard, Hannah H.; Kennedy, Nicholas D.; Rudman, Nathan A.; Greenwood, Alexa M.; Nicoleau, Jonathan; Angle, Corey E.; Torquato, Nicole A.; Gau, Micheal R.; Carroll, Patrick J.; Anstey, Mitchell R.","2,2'-Oxybis[1,3-bis(4-methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>d</i>][1,3,2]diazaborole]","IUCrData","2020","5","9","x201248","","10.1107/S2414314620012481","","","0.71073","MoKα","","0.0599","0.0387","","","0.0839","0.0927","","","","","","1.021","","","","has coordinates,has Fobs","256562","2020-10-21","18:00:00",""
"1559125","6.5143","0.0007","26.599","0.003","7.9568","0.0008","90","","101.771","0.008","90","","1349.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 N5 O4 P -","- C11 H18 N5 O4 P -","- C44 H72 N20 O16 P4 -","4","1","","Connor, Christina G.; DeForest, Jacob C.; Dietrich, Phil; Do, Nga M.; Doyle, Kevin M.; Eisenbeis, Shane; Greenberg, Elizabeth; Griffin, Sarah H.; Jones, Brian P.; Jones, Kris N.; Karmilowicz, Michael; Kumar, Rajesh; Lewis, Chad A.; McInturff, Emma L.; McWilliams, J. Christopher; Mehta, Ruchi; Nguyen, Bao D.; Rane, Anil M.; Samas, Brian; Sitter, Barbara J.; Ward, Howard W.; Webster, Mark E.","Development of a Nitrene-Type Rearrangement for the Commercial Route of the JAK1 Inhibitor Abrocitinib","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00366","","","1.54178","CuKα","","0.0791","0.0545","","","0.0835","0.0866","","","","","","1.721","","","","has coordinates","256565","2020-10-21","18:00:00",""
"1559129","10.618","0.003","12.162","0.004","13.204","0.004","94.952","0.005","110.78","0.004","115.495","0.004","1380","0.7","173","","173","","","","","","","","","4","P -1","-P 1","2","5-Methoxyaristololactam I","8,11-dimethoxy-benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one","","- C18 H13 N O5 -","- C18 H13 N O5 -","- C72 H52 N4 O20 -","4","2","","Ohta, Shinji; Oshimo, Shiori; Ohta, Emi; Nehira, Tatsuo; Ômura, Hisashi; Uy, Mylene M.; Ishihara, Yasuhiro","Asaroidoxazines from the Roots of Asarum asaroides Induce Apoptosis in Human Neuroblastoma Cells","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00574","","","0.71073","MoKa","","0.167","0.0761","","","0.168","0.2201","","","","","","0.962","","","","has coordinates","256582","2020-10-21","18:00:00",""
"1559130","5.0144","0.0004","11.1979","0.0009","18.4427","0.0014","90","","91.258","0.001","90","","1035.32","0.14","173","2","173","","","","","","","","","5","P 1 21 1","P 2yb","4","Asaroidoxazine A","(S)-2-((9,12-dimethoxy-5-oxo-5,8-dihydro-[1,3]dioxolo[4',5':3,4]phenanthro[10,1-cd][1,2]oxazin-8-yl)thio)acetamide","","- C21 H20 N2 O8 S -","- C21 H20 N2 O8 S -","- C42 H40 N4 O16 S2 -","2","1","","Ohta, Shinji; Oshimo, Shiori; Ohta, Emi; Nehira, Tatsuo; Ômura, Hisashi; Uy, Mylene M.; Ishihara, Yasuhiro","Asaroidoxazines from the Roots of Asarum asaroides Induce Apoptosis in Human Neuroblastoma Cells","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00574","","","0.71073","MoKa","","0.0372","0.0335","","","0.0962","0.1018","","","","","","0.787","","","","has coordinates","256583","2020-10-21","18:00:00",""
"1559131","8.6358","0.0013","9.3834","0.0015","9.8633","0.0015","74.596","0.006","86.938","0.009","68.597","0.009","716.6","0.2","170","2","170.02","","","","","","","","","3","P 1","P 1","1","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","2","","Zhang, Jing-Fang; Zhong, Wan-Chao; Li, Yan-Cheng; Song, Yun-Qing; Xia, Gui-Yang; Tian, Gui-Hua; Ge, Guang-Bo; Lin, Sheng","Bioactivity-Guided Discovery of Human Carboxylesterase Inhibitors from the Roots of Paeonia lactiflora","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00464","","","1.34139","GaKα","","0.0724","0.0666","","","0.1808","0.1881","","","","","","1.053","","","","has coordinates","256584","2020-10-21","18:00:00",""
"1559132","71.953","0.014","17.886","0.005","37.342","0.008","90","","96.315","0.008","90","","47766","19","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C93 H110 F12 N4 O28 Rh4 S8 -","- C86 H84 F4.5 N4 O13 Rh4 S5.5 -","- C1376 H1344 F72 N64 O208 Rh64 S88 -","16","2","","Lu, Ye; Liu, Dong; Lin, Yue-Jian; Jin, Guo-Xin","A Hierarchical Assembly Strategy for Near-Infrared Photothermal Conversion: Unconventional Heterogeneous Metalla[2]catenanes","Chemical Science","2020","","","","","10.1039/D0SC04523C","","","1.34138","GaKα","","0.1527","0.0854","","","0.2573","0.3086","","","","","","1.061","","","","has coordinates","256606","2020-10-21","18:00:00",""
"1559133","67.429","0.005","23.8798","0.0016","29.2782","0.0019","90","","103.301","0.003","90","","45879","5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C103 H107.5 F12 N12.5 O21.5 Rh4 S7 -","- C86 H84 F6 N5 O15 Rh4 S5 -","- C1376 H1344 F96 N80 O240 Rh64 S80 -","16","2","","Lu, Ye; Liu, Dong; Lin, Yue-Jian; Jin, Guo-Xin","A Hierarchical Assembly Strategy for Near-Infrared Photothermal Conversion: Unconventional Heterogeneous Metalla[2]catenanes","Chemical Science","2020","","","","","10.1039/D0SC04523C","","","1.34138","GaKα","","0.1009","0.0907","","","0.2814","0.2944","","","","","","1.023","","","","has coordinates,has disorder","256606","2020-10-21","18:00:00",""
"1559134","22.383","0.004","24.161","0.004","24.592","0.004","92.104","0.007","98.905","0.007","102.575","0.007","12790","4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C208 H264 F24 N26 O68 Rh8 S10 -","- C187 H195 F18 N19 O43 Rh8 S8 -","- C374 H390 F36 N38 O86 Rh16 S16 -","2","1","","Lu, Ye; Liu, Dong; Lin, Yue-Jian; Jin, Guo-Xin","A Hierarchical Assembly Strategy for Near-Infrared Photothermal Conversion: Unconventional Heterogeneous Metalla[2]catenanes","Chemical Science","2020","","","","","10.1039/D0SC04523C","","","1.34138","GaKα","","0.1172","0.1005","","","0.2969","0.3201","","","","","","1.046","","","","has coordinates,has disorder","256606","2020-10-21","18:00:00",""
"1559135","8.38","0.012","5.067","0.007","19.58","0.03","90","","94.25","0.04","90","","829","2","301","2","301.57","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H30 O4 -","- C15 H30 O4 -","- C30 H60 O8 -","2","1","","Saha, Sanu; Paul, Debobrata; Goswami, Rajib Kumar","Cyclodepsipeptide Alveolaride C: Total Synthesis and Structural Assignment","Chemical Science","2020","","","","","10.1039/D0SC04478D","","","0.71073","MoKα","","0.3111","0.1285","","","0.2632","0.3464","","","","","","0.938","","","","has coordinates","256607","2020-10-21","18:00:00",""
"1559136","11.46796","0.00015","19.4563","0.0002","17.9268","0.0003","90","","106.331","0.0015","90","","3838.51","0.1","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H49 Cu F6 N6 O0.5 P -","- C39 H49 Cu F6 N6 O0.5 P -","- C156 H196 Cu4 F24 N24 O2 P4 -","4","1","","Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R.","Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films","Chemical Science","2020","","","","","10.1039/D0SC04442C","","x-ray","0.71073","MoKα","","0.038","0.0321","","","0.0867","0.0892","","","","","","1.06","","","","has coordinates,has disorder","256608","2020-10-21","18:00:00",""
"1559137","12.1264","0.0007","18.4915","0.0015","19.9843","0.0014","90","","90","","90","","4481.2","0.5","95","2","95","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H58 Cl2 Cu F6 N6 P -","- C44 H58 Cl2 Cu F6 N6 P -","- C176 H232 Cl8 Cu4 F24 N24 P4 -","4","1","","Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R.","Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films","Chemical Science","2020","","","","","10.1039/D0SC04442C","","x-ray","0.71073","MoKα","","0.033","0.0308","","","0.0739","0.0748","","","","","","1.049","","","","has coordinates","256608","2020-10-21","18:00:00",""
"1559138","19.42866","0.00014","20.15442","0.00013","30.18361","0.00019","90","","90","","90","","11819.1","0.14","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C70.18 H76.7 B Cu N6 O -","- C70.175 H76.7 B Cu N6 O -","- C561.4 H613.6 B8 Cu8 N48 O8 -","8","1","","Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R.","Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films","Chemical Science","2020","","","","","10.1039/D0SC04442C","","x-ray","1.54184","CuKα","","0.0398","0.0356","","","0.0948","0.0976","","","","","","1.041","","","","has coordinates,has disorder","256608","2020-10-21","18:00:00",""
"1559139","19.77529","0.00005","13.53091","0.00004","15.04125","0.00005","90","","90","","90","","4024.7","0.02","93","2","93","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C45 H50 Cu F3 N6 O2 -","- C45 H50 Cu F3.003 N6 O2 -","- C180 H200 Cu4 F12.012 N24 O8 -","4","1","","Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R.","Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films","Chemical Science","2020","","","","","10.1039/D0SC04442C","","x-ray","1.54184","CuKα","","0.0256","0.0253","","","0.0674","0.0677","","","","","","1.047","","","","has coordinates,has disorder","256608","2020-10-21","18:00:00",""
"1559140","20.1211","0.0002","13.39232","0.00018","15.13962","0.00018","90","","90","","90","","4079.65","0.08","95","2","95","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C44 H50 Cu F3 N6 O3 S -","- C44 H50 Cu F3 N6 O3 S -","- C176 H200 Cu4 F12 N24 O12 S4 -","4","1","","Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R.","Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films","Chemical Science","2020","","","","","10.1039/D0SC04442C","","x-ray","1.54184","CuKα","","0.0382","0.0371","","","0.1018","0.1029","","","","","","1.039","","","","has coordinates,has disorder","256608","2020-10-21","18:00:00",""
"1559141","9.5784","0.0005","11.1999","0.0006","15.6039","0.0008","102.532","0.002","90.622","0.002","97.933","0.002","1616.98","0.15","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H23 F9 N3 O9 P S3 -","- C24 H23 F9 N3 O9 P S3 -","- C48 H46 F18 N6 O18 P2 S6 -","2","1","","Bridges, Colin R.; Borys, Andryj M.; Béland, Vanessa A.; Gaffen, Joshua R.; Baumgartner, Thomas","Phosphoryl- and phosphonium-bridged viologens as stable two- and three-electron acceptors for organic electrodes","Chemical Science","2020","","","","","10.1039/D0SC04183A","","","0.71073","MoKα","","0.1394","0.0845","","","0.2022","0.2603","","","","","","1.037","","","","has coordinates","256609","2020-10-21","18:00:00",""
"1559142","18.077","0.0003","20.9593","0.0002","25.0897","0.0003","90","","106.497","0.002","90","","9114.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H140 Co Mo6 N7 O24 -","- C74 H140 Co Mo6 N7 O24 -","- C296 H560 Co4 Mo24 N28 O96 -","4","1","","Zhao, Yu; Wang, Zhifang; Gao, Jia; Zhao, Zhengfeng; Li, Xia; Wang, Ting; Cheng, Peng; Ma, Shengqian; Chen, Yao; Zhang, Zhenjie","COF-inspired fabrication of two-dimensional polyoxometalate based open frameworks for biomimetic catalysis.","Nanoscale","2020","12","41","21218","21224","10.1039/d0nr05662f","","","0.71073","MoKα","","0.056","0.0384","","","0.0864","0.0947","","","","","","1.089","","","","has coordinates,has disorder","258883","2020-11-06","12:36:49",""
"1559143","15.4385","0.0005","24.0709","0.0008","25.3004","0.0008","90","","100.116","0.003","90","","9255.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6.3 Mn0.1 Mo0.6 N0.4 O2.4 -","- C4 H6.4 Mn0.1 Mo0.6 N0.4 O2.4 -","- C160 H256 Mn4 Mo24 N16 O96 -","40","10","","Zhao, Yu; Wang, Zhifang; Gao, Jia; Zhao, Zhengfeng; Li, Xia; Wang, Ting; Cheng, Peng; Ma, Shengqian; Chen, Yao; Zhang, Zhenjie","COF-inspired fabrication of two-dimensional polyoxometalate based open frameworks for biomimetic catalysis.","Nanoscale","2020","12","41","21218","21224","10.1039/d0nr05662f","","","0.71073","MoKα","","0.0664","0.0484","","","0.1436","0.1509","","","","","","1.115","","","","has coordinates","258883","2020-11-06","12:36:49",""
"1559144","15.2358","0.0004","15.8461","0.0004","16.7025","0.0004","76.721","0.001","72.502","0.001","68.615","0.001","3548.2","0.16","90","2","90","2","","","","","","","","4","P -1","-P 1","2","C70.Cu(OEP).p-xylene","","","- C118 H59 Cu N4 -","- C118 H59 Cu N4 -","- C236 H118 Cu2 N8 -","2","1","","Baldauf, Lilia M.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Fullerene nanostructures: how the oblong shape of C<sub>70</sub> forms a cocrystal with an enormous asymmetric unit and related cocrystals.","Nanoscale","2020","12","39","20356","20363","10.1039/d0nr05824f","","","0.71073","MoKα","","0.0607","0.0433","","","0.1087","0.1182","","","","","","1.034","","","","has coordinates,has disorder","258884","2020-11-06","12:37:28",""
"1559145","17.1062","0.001","25.99","0.0015","35.865","0.002","107.089","0.0011","90.3877","0.0011","108.007","0.001","14411","1.4","186","2","186","2","","","","","","","","4","P -1","-P 1","2","4C70.4NiOEP.6(p-xylene)","","","- C472 H236 N16 Ni4 -","- C472 H236 N16 Ni4 -","- C944 H472 N32 Ni8 -","2","1","","Baldauf, Lilia M.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Fullerene nanostructures: how the oblong shape of C<sub>70</sub> forms a cocrystal with an enormous asymmetric unit and related cocrystals.","Nanoscale","2020","12","39","20356","20363","10.1039/d0nr05824f","","","0.71073","MoKα","","0.1689","0.1186","","","0.3195","0.3438","","","","","","2.098","","","","has coordinates,has disorder","258884","2020-11-06","12:37:28",""
"1559146","32.398","0.006","21.103","0.004","32.293","0.006","90","","90.006","0.003","90","","22079","7","90","2","90","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","C70.toluene","","","- C77 H8 -","- C77 H8 -","- C1848 H192 -","24","6","","Baldauf, Lilia M.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Fullerene nanostructures: how the oblong shape of C<sub>70</sub> forms a cocrystal with an enormous asymmetric unit and related cocrystals.","Nanoscale","2020","12","39","20356","20363","10.1039/d0nr05824f","","","0.71073","MoKα","","0.1452","0.1167","","","0.2747","0.2956","","","","","","1.039","","","","has coordinates,has disorder","258884","2020-11-06","12:37:28",""
"1559147","35.187","0.004","35.564","0.004","35.852","0.004","102.301","0.002","92.802","0.002","101.834","0.002","42702","8","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C118 H59 N4 Ni -","- C118 H59 N4 Ni -","- C2832 H1416 N96 Ni24 -","24","12","","Baldauf, Lilia M.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Fullerene nanostructures: how the oblong shape of C<sub>70</sub> forms a cocrystal with an enormous asymmetric unit and related cocrystals.","Nanoscale","2020","12","39","20356","20363","10.1039/d0nr05824f","","","0.71073","MoKα","","0.2141","0.1084","","","0.2812","0.3642","","","","","","1.035","","","","has coordinates,has disorder","258884","2020-11-06","12:37:28",""
"1559148","18.3055","0.0004","18.3055","0.0004","52.0549","0.0012","90","","90","","120","","15106.2","0.6","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C24 H10 Cu2 N4 O10 -","- C24 H10 Cu2 N4 O10 -","- C216 H90 Cu18 N36 O90 -","9","0.25","","Wen, Hui-Min; Shao, Kai; Zhou, Wei; Li, Bin; Chen, Banglin","A novel expanded metal-organic framework for balancing volumetric and gravimetric methane storage working capacities.","Chemical communications (Cambridge, England)","2020","56","86","13117","13120","10.1039/d0cc05504b","","","1.54184","CuKα","","0.0829","0.0743","","","0.2673","0.2797","","","","","","1.189","","","","has coordinates,has disorder","260608","2021-01-07","04:31:36",""
"1559149","8.296","0.0009","11.0174","0.0014","12.5614","0.0012","111.695","0.003","91.745","0.003","93.375","0.004","1063.3","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 N3 O3 Pd S -","- C24 H25 N3 O3 Pd S -","- C48 H50 N6 O6 Pd2 S2 -","2","1","","Wang, Xin; Li, Zi-Qi; Mai, Binh Khanh; Gurak, John A.; Xu, Jessica E.; Tran, Van T.; Ni, Hui-Qi; Liu, Zhen; Liu, Zhonglin; Yang, Kin; Xiang, Rong; Liu, Peng; Engle, Keary M.","Controlling Cyclization Pathways in Palladium(II)-Catalyzed Intramolecular Alkene Hydrofunctionalization via Substrate Directivity","Chemical Science","2020","","","","","10.1039/D0SC03409F","","x-ray","0.71073","MoKα","","0.0449","0.0374","","","0.0981","0.102","","","","","","1.081","","","","has coordinates","256636","2020-10-21","18:00:00",""
"1559150","14.2723","0.001","7.3843","0.0005","15.9189","0.0012","90","","90","","90","","1677.7","0.2","260","0.1","260","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H10 Fe N10 Pd -","- C12 H10 Fe N10 Pd -","- C48 H40 Fe4 N40 Pd4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","x-ray","0.71073","MoKα","","0.13","0.0902","","","0.2291","0.2483","","","","","","1.176","","","","has coordinates","256637","2020-10-21","18:00:00",""
"1559151","14.1549","0.0007","7.1808","0.0004","15.6363","0.0008","90","","90","","90","","1589.33","0.14","119.9","0.14","119.9","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H10 Fe N10 Pd -","- C12 H10 Fe N10 Pd -","- C48 H40 Fe4 N40 Pd4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","x-ray","0.71073","MoKα","","0.0959","0.0644","","","0.1465","0.1613","","","","","","1.117","","","","has coordinates","256637","2020-10-21","18:00:00",""
"1559152","21.078","0.003","7.0587","0.0009","14.488","0.003","90","","131.352","0.003","90","","1618.1","0.5","119.83","","119.83","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H11.6 Fe N10 O0.8 Pt -","- C12 H11.6 Fe N10 O0.8 Pt -","- C48 H46.4 Fe4 N40 O3.2 Pt4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","","0.71073","MoKα","","0.1431","0.0814","","","0.1954","0.2482","","","","","","1.11","","","","has coordinates,has disorder","256637","2020-10-21","18:00:00",""
"1559153","21.092","0.003","7.0553","0.001","14.535","0.002","90","","131.372","0.004","90","","1623.2","0.4","120.02","","120.02","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H12 Fe N10 O Pd -","- C12 H12 Fe N10 O Pd -","- C48 H48 Fe4 N40 O4 Pd4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","","0.71073","MoKα","","0.1047","0.0654","","","0.1332","0.1647","","","","","","1.045","","","","has coordinates,has disorder","256637","2020-10-21","18:00:00",""
"1559154","21.77","0.003","7.3679","0.0008","14.951","0.003","90","","131.902","0.003","90","","1784.9","0.5","260","","260","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H12 Fe N10 O Pd -","- C12 H12 Fe N10 O Pd -","- C48 H48 Fe4 N40 O4 Pd4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","","0.71073","MoKα","","0.0787","0.0526","","","0.1292","0.1724","","","","","","1.107","","","","has coordinates","256637","2020-10-21","18:00:00",""
"1559155","21.836","0.002","7.3747","0.0006","14.8914","0.0012","90","","131.952","0.003","90","","1783.4","0.3","260.02","","260.02","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H11.6 Fe N10 O0.8 Pt -","- C12 H11.6 Fe N10 O0.8 Pt -","- C48 H46.4 Fe4 N40 O3.2 Pt4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","","0.71073","MoKα","","0.084","0.0544","","","0.1267","0.1471","","","","","","1.038","","","","has coordinates,has disorder","256637","2020-10-21","18:00:00",""
"1559156","14.8631","0.0007","32.144","0.002","7.1639","0.0004","90","","90","","90","","3422.6","0.3","100","0.8","100","0.8","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C12.5 H12 Fe N10 O0.5 Pt -","- C12.5 H12 Fe N10 O0.25 Pt -","- C100 H96 Fe8 N80 O2 Pt8 -","8","1","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","x-ray","0.71073","MoKα","","0.1159","0.0979","","","0.1933","0.2026","","","","","","1.086","","","","has coordinates,has disorder","256637","2020-10-21","18:00:00",""
"1559157","14.5857","0.0006","7.365","0.0004","15.9543","0.0008","90","","90","","90","","1713.87","0.14","260","2","259.97","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H10 Fe N10 Pt -","- C12 H10 Fe N10 Pt -","- C48 H40 Fe4 N40 Pt4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","","0.71073","MoKα","","0.0854","0.052","","","0.1297","0.1557","","","","","","1.19","","","","has coordinates","256637","2020-10-21","18:00:00",""
"1559158","21.454","0.003","7.1986","0.0008","14.7221","0.0016","90","","131.494","0.003","90","","1703","0.4","180.01","","180.01","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H12 Fe N10 O Pd -","- C12 H12 Fe N10 O Pd -","- C48 H48 Fe4 N40 O4 Pd4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","","0.71073","MoKα","","0.0887","0.0564","","","0.1276","0.1593","","","","","","1.054","","","","has coordinates,has disorder","256637","2020-10-21","18:00:00",""
"1559159","14.9105","0.0014","32.0213","0.0019","7.161","0.0004","90","","90","","90","","3419","0.4","100","0.14","100","0.14","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C12.5 H12 Fe N10 O0.5 Pd -","- C12.5 H12 Fe N10 O0.375 Pd -","- C100 H96 Fe8 N80 O3 Pd8 -","8","1","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","x-ray","0.71073","MoKα","","0.1465","0.1088","","","0.2488","0.2765","","","","","","1.043","","","","has coordinates,has disorder","256637","2020-10-21","18:00:00",""
"1559160","14.8483","0.0015","7.1717","0.0007","15.88","0.003","90","","92.699","0.011","90","","1689.1","0.4","99.5","0.7","99.5","0.7","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C12.8 H10 Fe N10 O0.4 Pt -","- C12.8 H10 Fe N10 O0.4 Pt -","- C51.2 H40 Fe4 N40 O1.6 Pt4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","x-ray","0.71073","MoKα","","0.1277","0.1183","","","0.28","0.2875","","","","","","1.196","","","","has coordinates","256637","2020-10-21","18:00:00",""
"1559161","14.1282","0.0006","7.1968","0.0003","15.746","0.0007","90","","90","","90","","1601.02","0.12","120","1","120","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H10 Fe N10 Pt -","- C12 H10 Fe N10 Pt -","- C48 H40 Fe4 N40 Pt4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","","0.71073","MoKα","","0.0708","0.047","","","0.1059","0.1169","","","","","","1.124","","","","has coordinates","256637","2020-10-21","18:00:00",""
"1559162","14.9798","0.0016","7.3662","0.0006","16.181","0.002","90","","91.922","0.009","90","","1784.5","0.3","260","0.1","260","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C12.8 H10 Fe N10 O0.4 Pt -","- C12.8 H10 Fe N10 O0.4 Pt -","- C51.2 H40 Fe4 N40 O1.6 Pt4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","x-ray","0.71073","MoKα","","0.0793","0.0693","","","0.1773","0.187","","","","","","1.092","","","","has coordinates","256637","2020-10-21","18:00:00",""
"1559163","14.9943","0.0008","32.6263","0.0019","7.3615","0.0003","90","","90","","90","","3601.3","0.3","260","0.1","260","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C12.5 H11.75 Fe N10 O0.5 Pt -","- C12.5 H11.75 Fe N10 O0.25 Pt -","- C100 H94 Fe8 N80 O2 Pt8 -","8","1","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","x-ray","0.71073","MoKα","","0.125","0.0869","","","0.1624","0.1846","","","","","","1.058","","","","has coordinates,has disorder","256637","2020-10-21","18:00:00",""
"1559164","21.488","0.003","7.1993","0.0008","14.6712","0.0016","90","","131.584","0.003","90","","1697.6","0.4","187","2","186.99","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H11.6 Fe N10 O0.8 Pt -","- C12 H11.6 Fe N10 O0.8 Pt -","- C48 H46.4 Fe4 N40 O3.2 Pt4 -","4","0.5","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","","0.71073","MoKα","","0.0935","0.0737","","","0.1674","0.1783","","","","","","1.142","","","","has coordinates,has disorder","256637","2020-10-21","18:00:00",""
"1559165","15.0184","0.0012","32.5156","0.0018","7.3514","0.0004","90","","90","","90","","3589.9","0.4","260","0.2","260","0.2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C12.5 H12 Fe N10 O0.5 Pd -","- C12.5 H12 Fe N10 O0.25 Pd -","- C100 H96 Fe8 N80 O2 Pd8 -","8","1","","Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A","Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates","Chemical Science","2020","","","","","10.1039/D0SC04246C","","x-ray","0.71073","MoKα","","0.1491","0.0816","","","0.2037","0.2498","","","","","","1.051","","","","has coordinates,has disorder","256637","2020-10-21","18:00:00",""
"1559169","7.5919","0.0002","32.0914","0.0006","21.403","0.0005","90","","90","","90","","5214.5","0.2","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H28 N2 O2 Si -","- C26 H28 N2 O2 Si -","- C208 H224 N16 O16 Si8 -","8","2","","Numasawa, Koji; Hanaoka, Kenjiro; Ikeno, Takayuki; Echizen, Honami; Ishikawa, Tomoe; Morimoto, Masakazu; Komatsu, Toru; Ueno, Tasuku; Ikegaya, Yuji; Nagano, Tetsuo; Urano, Yasuteru","A cytosolically localized far-red to near-infrared rhodamine-based fluorescent probe for calcium ions.","The Analyst","2020","145","23","7736","7740","10.1039/d0an01739f","","","1.54178","","","0.0598","0.0591","","","0.1614","0.1621","","","","","","1.084","","","","has coordinates","259599","2020-12-06","13:06:44",""
"1559170","8.6514","0.0001","16.4017","0.0002","8.7158","0.0001","90","","115.259","0.002","90","","1118.5","0.03","173","0.1","173","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H20 Cl5 N O2 Pd S -","- C17 H20 Cl5 N O2 Pd S -","- C34 H40 Cl10 N2 O4 Pd2 S2 -","2","1","","Wang, Yu-Jie; Yuan, Chen-Hui; Chu, De-Zhao; Jiao, Lei","Regiocontrol in the oxidative Heck reaction of indole by ligand-enabled switch of the regioselectivity-determining step","Chemical Science","2020","","","","","10.1039/D0SC02246B","","x-ray","1.54184","CuKα","","0.0211","0.0211","","","0.0541","0.0541","","","","","","1.065","","","","has coordinates","256691","2020-10-21","18:00:00",""
"1559171","10.4499","0.0004","11.5254","0.0004","15.955","0.0005","92.906","0.003","104.074","0.003","111.149","0.003","1717.91","0.12","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H37 Cl5 N P Pd -","- C36 H37 Cl5 N P Pd -","- C72 H74 Cl10 N2 P2 Pd2 -","2","1","","Wang, Yu-Jie; Yuan, Chen-Hui; Chu, De-Zhao; Jiao, Lei","Regiocontrol in the oxidative Heck reaction of indole by ligand-enabled switch of the regioselectivity-determining step","Chemical Science","2020","","","","","10.1039/D0SC02246B","","x-ray","1.54184","CuKα","","0.0442","0.0376","","","0.1082","0.1136","","","","","","1.08","","","","has coordinates","256691","2020-10-21","18:00:00",""
"1559172","10.834","0.007","11.01","0.007","13.357","0.009","71.977","0.017","84.217","0.017","64.762","0.017","1369.6","1.6","100","","100","","","","","","","","","4","P -1","-P 1","2","2-NO2radical","2-NO2radical","","- C31 H38 N5 O4 -","- C31 H38 N5 O4 -","- C62 H76 N10 O8 -","2","1","","Shaikh, Aslam C.; Moutet, Jules; Veleta, José M.; Hossain, Md Mubarak; Bloch, Jan; Astashkin, Andrei V.; Gianetti, Thomas L.","Persistent, highly localized, and tunable [4]helicene radicals","Chemical Science","2020","","","","","10.1039/D0SC04850J","","","0.71073","MoKα","","0.0929","0.0528","","","0.1223","0.1487","","","","","","1.022","","","","has coordinates","256692","2020-10-21","18:00:00",""
"1559173","20.1829","0.0005","10.7314","0.0003","25.5707","0.0007","90","","90","","90","","5538.4","0.3","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-Hradical","2-Hradical","","- C30.95 H39.55 N4 O2.33 -","- C30.954 H39.5516 N4 O2.3333 -","- C247.632 H316.413 N32 O18.6664 -","8","1","","Shaikh, Aslam C.; Moutet, Jules; Veleta, José M.; Hossain, Md Mubarak; Bloch, Jan; Astashkin, Andrei V.; Gianetti, Thomas L.","Persistent, highly localized, and tunable [4]helicene radicals","Chemical Science","2020","","","","","10.1039/D0SC04850J","","","1.34138","GaKα","","0.0906","0.0669","","","0.1402","0.1505","","","","","","1.095","","","","has coordinates,has disorder","256692","2020-10-21","18:00:00",""
"1559174","22.423","0.0007","11.1591","0.0004","26.6457","0.0011","90","","113.726","0.001","90","","6103.8","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2-NO2cation","2-NO2cation","","- C31 H39 B F4 N5 O4 -","- C31 H38 B F4 N5 O4 -","- C248 H304 B8 F32 N40 O32 -","8","1","","Shaikh, Aslam C.; Moutet, Jules; Veleta, José M.; Hossain, Md Mubarak; Bloch, Jan; Astashkin, Andrei V.; Gianetti, Thomas L.","Persistent, highly localized, and tunable [4]helicene radicals","Chemical Science","2020","","","","","10.1039/D0SC04850J","","","1.34138","GaKα","","0.0427","0.0405","","","0.1094","0.1114","","","","","","0.965","","","","has coordinates","256692","2020-10-21","18:00:00",""
"1559175","11.511","0.0003","12.4254","0.0003","13.1831","0.0003","85.106","0.0018","78.778","0.002","64.945","0.003","1675.47","0.08","100.01","0.1","100","","","","","","","","","7","P -1","-P 1","2","","2-Hcation","","- C32 H41 B Cl2 F4 N4 O2 -","- C32 H41 B Cl2 F4 N4 O2 -","- C64 H82 B2 Cl4 F8 N8 O4 -","2","1","","Shaikh, Aslam C.; Moutet, Jules; Veleta, José M.; Hossain, Md Mubarak; Bloch, Jan; Astashkin, Andrei V.; Gianetti, Thomas L.","Persistent, highly localized, and tunable [4]helicene radicals","Chemical Science","2020","","","","","10.1039/D0SC04850J","","","0.71073","MoKα","","0.0507","0.0459","","","0.1033","0.106","","","","","","1.0699","","","","has coordinates,has disorder","256692","2020-10-21","18:00:00",""
"1559176","14.2611","0.0007","37.3119","0.0018","14.5988","0.0007","90","","115.426","0.001","90","","7015.7","0.6","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H55 B2 F8 N11 Rh2 -","- C68 H55 B2 F8 N11 Rh2 -","- C272 H220 B8 F32 N44 Rh8 -","4","1","","Huang, Jie; Gallucci, Judith C.; Turro, Claudia","Panchromatic dirhodium photocatalysts for dihydrogen generation with red light","Chemical Science","2020","11","36","9775","9783","10.1039/D0SC03114C","","x-ray","0.71073","MoKα","","0.0628","0.0564","","","0.1113","0.1135","","","","","","1.283","","","","has coordinates","256693","2020-10-21","18:00:00",""
"1559177","14.5487","0.0003","15.4322","0.0003","28.751","0.0006","90","","101.544","0.007","90","","6324.6","0.3","173","","173","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C32 H31 B Cl3 F3 N2 O3 S -","- C32 H31 B Cl3 F3 N2 O3 S -","- C256 H248 B8 Cl24 F24 N16 O24 S8 -","8","1","","Yoshino, Junro; Hirono, Yoshito; Akahane, Ryota; Higuchi, Hiroyuki; Hayashi, Naoto","Effects of π-conjugation on the solid-state photoresponsive coloring behavior of bipyridine-boronium complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1517","1521","10.1039/d0pp00296h","","","0.71075","MoKα","","0.0604","0.0457","","","0.1131","0.121","","","","","","1.018","","","","has coordinates","259623","2020-12-06","14:51:16",""
"1559178","9.9951","0.0002","10.6777","0.0003","14.0199","0.0003","68.127","0.005","85.063","0.006","88.677","0.006","1383.34","0.08","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H30 B F3 N2 O3 S -","- C31 H30 B F3 N2 O3 S -","- C62 H60 B2 F6 N4 O6 S2 -","2","1","","Yoshino, Junro; Hirono, Yoshito; Akahane, Ryota; Higuchi, Hiroyuki; Hayashi, Naoto","Effects of π-conjugation on the solid-state photoresponsive coloring behavior of bipyridine-boronium complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1517","1521","10.1039/d0pp00296h","","","0.71075","MoKα","","0.0588","0.0469","","","0.1483","0.1561","","","","","","1.215","","","","has coordinates","259623","2020-12-06","14:51:17",""
"1559179","9.76723","0.00018","10.8636","0.0002","29.3189","0.0006","86.89","0.006","86.035","0.006","85.589","0.006","3090.56","0.11","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C28 H27 B Cl3 F3 N2 O3 S3 -","- C28 H27 B Cl3 F3 N2 O3 S3 -","- C112 H108 B4 Cl12 F12 N8 O12 S12 -","4","2","","Yoshino, Junro; Hirono, Yoshito; Akahane, Ryota; Higuchi, Hiroyuki; Hayashi, Naoto","Effects of π-conjugation on the solid-state photoresponsive coloring behavior of bipyridine-boronium complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1517","1521","10.1039/d0pp00296h","","","1.54187","CuKα","","0.0802","0.0696","","","0.2128","0.2204","","","","","","1.113","","","","has coordinates","259623","2020-12-06","14:51:17",""
"1559180","30.1054","0.0006","10.64028","0.00019","10.64427","0.00019","90","","90","","90","","3409.68","0.11","173","","173","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C29 H28 B Cl6 F3 N2 O5 S -","- C29 H28 B Cl6 F3 N2 O5 S -","- C116 H112 B4 Cl24 F12 N8 O20 S4 -","4","1","","Yoshino, Junro; Hirono, Yoshito; Akahane, Ryota; Higuchi, Hiroyuki; Hayashi, Naoto","Effects of π-conjugation on the solid-state photoresponsive coloring behavior of bipyridine-boronium complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1517","1521","10.1039/d0pp00296h","","","1.54187","CuKα","","0.0609","0.0589","","","0.1515","0.1548","","","","","","1.036","","","","has coordinates","259623","2020-12-06","14:51:17",""
"1559181","11.0952","0.0004","11.5436","0.0004","14.1018","0.0004","112.209","0.008","108.743","0.008","94.906","0.007","1538.71","0.18","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H30 B F3 N2 O3 S -","- C35 H30 B F3 N2 O3 S -","- C70 H60 B2 F6 N4 O6 S2 -","2","1","","Yoshino, Junro; Hirono, Yoshito; Akahane, Ryota; Higuchi, Hiroyuki; Hayashi, Naoto","Effects of π-conjugation on the solid-state photoresponsive coloring behavior of bipyridine-boronium complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1517","1521","10.1039/d0pp00296h","","","0.71075","MoKα","","0.0667","0.044","","","0.1299","0.1419","","","","","","0.999","","","","has coordinates","259623","2020-12-06","14:51:17",""
"1559186","6.7867","0.0011","14.848","0.002","13.118","0.002","90","","101.182","0.002","90","","1296.8","0.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 F N O -","- C17 H12 F N O -","- C68 H48 F4 N4 O4 -","4","1","","Zhang, Sijing; Yang, Zhenghui; LI, Minghao; Zhang, Qiong; Tian, Xiaohe; Li, Dandan; Li, Shengli; Wu, Jieying; Tian, Yupeng","A multi-photon fluorescent probe based on quinoline groups for highly selective and sensitive detection of lipid droplets","The Analyst","2020","","","","","10.1039/D0AN01847C","","","0.71073","MoKα","","0.0684","0.0389","","","0.092","0.1067","","","","","","1.017","","","","has coordinates","256746","2020-10-21","18:00:00",""
"1559187","11.151","0.002","12.493","0.003","15.327","0.003","104.622","0.002","101.56","0.002","114.181","0.002","1769.6","0.6","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22.5 N2 O -","- C21 H22 N2 O -","- C84 H88 N8 O4 -","4","2","","Zhang, Sijing; Yang, Zhenghui; LI, Minghao; Zhang, Qiong; Tian, Xiaohe; Li, Dandan; Li, Shengli; Wu, Jieying; Tian, Yupeng","A multi-photon fluorescent probe based on quinoline groups for highly selective and sensitive detection of lipid droplets","The Analyst","2020","","","","","10.1039/D0AN01847C","","","0.71073","MoKα","","0.0732","0.0566","","","0.158","0.1757","","","","","","1.044","","","","has coordinates","256746","2020-10-21","18:00:00",""
"1559188","32.861","0.006","8.4446","0.0015","11.602","0.002","90","","90","","90","","3219.5","1","296","2","296.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C152 H136 N8 O24 -","8","2","","Zhang, Sijing; Yang, Zhenghui; LI, Minghao; Zhang, Qiong; Tian, Xiaohe; Li, Dandan; Li, Shengli; Wu, Jieying; Tian, Yupeng","A multi-photon fluorescent probe based on quinoline groups for highly selective and sensitive detection of lipid droplets","The Analyst","2020","","","","","10.1039/D0AN01847C","","","0.71073","MoKα","","0.1269","0.0676","","","0.2023","0.2165","","","","","","1.259","","","","has coordinates","282214","2023-04-03","16:35:42",""
"1559189","15.89","0.008","15.89","0.008","14.121","0.006","90","","90","","90","","3565","3","170","2","170","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C17 H20 N4 O3 Pd -","- C17 H20 N4 O3 Pd -","- C136 H160 N32 O24 Pd8 -","8","1","","Gogula, Thirupathi; Zhang, Jinquan; Reddy, Madhava; Zhang, Shuaizhong; Zou, Hongbin","Temperature-modulated selective C(sp3)−H or C(sp2)−H arylation through palladium catalysis","Chemical Science","2020","","","","","10.1039/D0SC02328K","","","0.71073","MoKα","","0.025","0.0225","","","0.0498","0.051","","","","","","1.083","","","","has coordinates","256749","2020-10-21","18:00:00",""
"1559190","8.907","0.006","10.254","0.009","11.143","0.009","68.74","0.04","87.11","0.04","66.43","0.04","864","1.3","170","2","170","","","","","","","","","4","P -1","-P 1","2","SP34Cl","","","- C21 H19 Cl N4 -","- C21 H19 Cl N4 -","- C42 H38 Cl2 N8 -","2","1","","Gogula, Thirupathi; Zhang, Jinquan; Reddy, Madhava; Zhang, Shuaizhong; Zou, Hongbin","Temperature-modulated selective C(sp3)−H or C(sp2)−H arylation through palladium catalysis","Chemical Science","2020","","","","","10.1039/D0SC02328K","","","0.71073","MoKα","","0.0487","0.045","","","0.1142","0.1185","","","","","","1.07","","","","has coordinates","256749","2020-10-21","18:00:00",""
"1559191","20.0376","0.0007","20.0376","0.0007","23.8666","0.0007","90","","90","","90","","9582.6","0.6","170","2","170","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C60 H60 Cl4 N16 Pd4 -","- C60 H60 Cl4 N16 Pd4 -","- C240 H240 Cl16 N64 Pd16 -","4","0.25","","Gogula, Thirupathi; Zhang, Jinquan; Reddy, Madhava; Zhang, Shuaizhong; Zou, Hongbin","Temperature-modulated selective C(sp3)−H or C(sp2)−H arylation through palladium catalysis","Chemical Science","2020","","","","","10.1039/D0SC02328K","","","0.71073","MoKα","","0.0666","0.0463","","","0.1243","0.1468","","","","","","1.068","","","","has coordinates","256749","2020-10-21","18:00:00",""
"1559192","9.4235","0.0003","9.4517","0.0003","11.8728","0.0004","81.662","0.001","82.012","0.001","79.093","0.001","1020.62","0.06","170","2","170","","","","","","","","","4","P -1","-P 1","2","SP24OMe","","","- C23 H24 N4 O -","- C23 H24 N4 O -","- C46 H48 N8 O2 -","2","1","","Gogula, Thirupathi; Zhang, Jinquan; Reddy, Madhava; Zhang, Shuaizhong; Zou, Hongbin","Temperature-modulated selective C(sp3)−H or C(sp2)−H arylation through palladium catalysis","Chemical Science","2020","","","","","10.1039/D0SC02328K","","","0.71073","MoKα","","0.0448","0.0407","","","0.1064","0.1103","","","","","","1.029","","","","has coordinates,has disorder","256749","2020-10-21","18:00:00",""
"1559193","9.6922","0.0009","38.687","0.004","13.5664","0.0017","90","","104.749","0.009","90","","4919.3","0.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H41 Ir N O2 P -","- C25 H41 Ir N O2 P -","- C200 H328 Ir8 N8 O16 P8 -","8","2","","Yoo, Changho; Dodge, Henry M.; Farquhar, Alexandra; Gardner, Kristen E.; Miller, Alexander James Minden","Decarbonylative Ether Dissection by Iridium Pincer Complexes","Chemical Science","2020","","","","","10.1039/D0SC03736B","","","1.54178","CuKα","","0.0662","0.0511","","","0.1242","0.1318","","","","","","1.024","","","","has coordinates","256750","2020-10-21","18:00:00",""
"1559194","11.7045","0.0005","14.2405","0.0006","14.5938","0.0006","72.905","0.002","75.656","0.002","88.106","0.002","2250.44","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H66 Cl4 Ir2 N2 O4 P2 -","- C37 H66 Cl4 Ir2 N2 O4 P2 -","- C74 H132 Cl8 Ir4 N4 O8 P4 -","2","1","","Yoo, Changho; Dodge, Henry M.; Farquhar, Alexandra; Gardner, Kristen E.; Miller, Alexander James Minden","Decarbonylative Ether Dissection by Iridium Pincer Complexes","Chemical Science","2020","","","","","10.1039/D0SC03736B","","","1.54178","CuKα","","0.05","0.0451","","","0.1245","0.1282","","","","","","1.11","","","","has coordinates","256750","2020-10-21","18:00:00",""
"1559195","13.6475","0.0005","8.789","0.0003","19.5773","0.0007","90","","99.5079","0.0012","90","","2316","0.14","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 Cl Ir N O4 P -","- C20 H36 Cl Ir N O4 P -","- C80 H144 Cl4 Ir4 N4 O16 P4 -","4","1","","Yoo, Changho; Dodge, Henry M.; Farquhar, Alexandra; Gardner, Kristen E.; Miller, Alexander James Minden","Decarbonylative Ether Dissection by Iridium Pincer Complexes","Chemical Science","2020","","","","","10.1039/D0SC03736B","","","1.54178","CuKα","","0.0214","0.0214","","0.0557","0.0557","0.0557","","","","","","1.1849","","","","has coordinates","256750","2020-10-21","18:00:00",""
"1559196","21.5143","0.0008","11.8302","0.0004","26.8208","0.0011","90","","90","","90","","6826.4","0.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H52 Cl Ir N O7 P -","- C32 H52 Cl Ir N O7 P -","- C256 H416 Cl8 Ir8 N8 O56 P8 -","8","1","","Yoo, Changho; Dodge, Henry M.; Farquhar, Alexandra; Gardner, Kristen E.; Miller, Alexander James Minden","Decarbonylative Ether Dissection by Iridium Pincer Complexes","Chemical Science","2020","","","","","10.1039/D0SC03736B","","","1.54178","CuKα","","0.0243","0.0241","","","0.0542","0.0543","","","","","","1.246","","","","has coordinates","256750","2020-10-21","18:00:00",""
"1559197","20.5364","0.0007","25.2316","0.0006","7.01","0.0002","90","","115.214","0.004","90","","3286.3","0.2","100","0.1","100","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H27 Cl3 N2 O8 -","- C39 H27 Cl3 N2 O8 -","- C156 H108 Cl12 N8 O32 -","4","1","","Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng","<i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00719","","x-ray","1.54184","CuKα","","0.0525","0.0514","","","0.1331","0.1342","","","","","","1.043","","","","has coordinates,has disorder","256767","2020-10-21","18:00:00",""
"1559198","22.7722","0.0009","21.0367","0.0012","6.7533","0.0003","90","","90","","90","","3235.2","0.3","100","0.1","100","0.1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C20 H14 O5 -","- C20 H14 O5 -","- C160 H112 O40 -","8","1","","Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng","<i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00719","","","1.54184","CuKα","","0.0901","0.0609","","","0.1687","0.1896","","","","","","1.059","","","","has coordinates","256768","2020-10-21","18:00:00",""
"1559199","7.0562","0.0001","20.5785","0.0001","24.1665","0.0003","90","","90","","90","","3509.12","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 O14 S2 -","- C40 H36 O14 S2 -","- C160 H144 O56 S8 -","4","1","","Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng","<i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00719","","x-ray","1.54184","CuKα","","0.0438","0.0412","","","0.1048","0.1062","","","","","","1.079","","","","has coordinates,has disorder","256769","2020-10-21","18:00:00",""
"1559200","10.75529","0.00018","11.25315","0.00016","23.4783","0.0004","90","","96.5224","0.0015","90","","2823.21","0.08","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 N O5 -","- C19 H13 N O5 -","- C152 H104 N8 O40 -","8","1","","Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng","<i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00719","","x-ray","1.54184","CuKα","","0.0678","0.0507","","","0.1373","0.1494","","","","","","1.039","","","","has coordinates","256771","2020-10-21","18:00:00",""
"1559201","5.0126","0.0002","9.6467","0.0004","14.7488","0.0003","80.099","0.003","84.102","0.002","82.308","0.003","693.91","0.04","100","0.3","100","0.3","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 O5 -","- C18 H14 O5 -","- C36 H28 O10 -","2","1","","Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng","<i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00719","","x-ray","1.54184","CuKα","","0.0664","0.0595","","","0.1653","0.1711","","","","","","1.045","","","","has coordinates","256772","2020-10-21","18:00:00",""
"1559202","9.4014","0.0003","9.5711","0.0003","19.3229","0.0005","90","","102.198","0.003","90","","1699.45","0.09","99.9","0.6","99.9","0.6","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O7 -","- C20 H16 O7 -","- C80 H64 O28 -","4","1","","Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng","<i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00719","","x-ray","1.54184","CuKα","","0.0551","0.0478","","","0.1342","0.14","","","","","","1.075","","","","has coordinates","256773","2020-10-21","18:00:00",""
"1559203","17.1407","0.0004","5.8301","0.0001","16.0134","0.0003","90","","113.648","0.003","90","","1465.87","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 O6 -","- C19 H12 O6 -","- C76 H48 O24 -","4","1","","Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng","<i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00719","","x-ray","1.54184","CuKα","","0.0526","0.0466","","","0.1328","0.1374","","","","","","1.11","","","","has coordinates","256774","2020-10-21","18:00:00",""
"1559204","6.3952","0.0003","9.0538","0.0004","10.7157","0.0005","90","","100.069","0.003","90","","610.89","0.05","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H11 N O6 -","- C14 H11 N O6 -","- C28 H22 N2 O12 -","2","1","","Li, Sui Jun; Jiao, Fang Wen; Li, Wei; Zhang, Xuan; Yan, Wei; Jiao, Rui Hua","Cytotoxic Xanthone Derivatives from the Mangrove-Derived Endophytic Fungus Peniophora incarnata Z4","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00523","","","1.54178","CuKα","","0.0308","0.03","","","0.0831","0.0839","","","","","","1.061","","","","has coordinates","256775","2020-10-21","18:00:00",""
"1559205","6.8769","0.0002","11.506","0.0004","18.7242","0.0007","90","","90","","90","","1481.56","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O8 -","- C16 H16 O8 -","- C64 H64 O32 -","4","1","","Li, Sui Jun; Jiao, Fang Wen; Li, Wei; Zhang, Xuan; Yan, Wei; Jiao, Rui Hua","Cytotoxic Xanthone Derivatives from the Mangrove-Derived Endophytic Fungus Peniophora incarnata Z4","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00523","","","1.54178","CuKα","","0.0247","0.0245","","","0.0667","0.0671","","","","","","1.02","","","","has coordinates","256776","2020-10-21","18:00:00",""
"1559206","4.7121","0.0001","9.8742","0.0002","17.9278","0.0003","90","","90","","90","","834.15","0.03","100","2","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 F3 O -","- C9 H9 F3 O -","- C36 H36 F12 O4 -","4","1","","Ponra, Sudipta; Yang, Jianping; Wu, Haibo; Rabten, Wangchuk; Andersson, Pher G.","Asymmetric synthesis of 1,2-fluorohydrin: iridium catalyzed hydrogenation of fluorinated allylic alcohol","Chemical Science","2020","","","","","10.1039/D0SC04032K","","x-ray","0.71073","MoKα","","0.0247","0.0244","","","0.067","0.0674","","","","","","1.068","","","","has coordinates,has disorder","256782","2020-10-21","18:00:00",""
"1559207","11.2778","0.0004","22.0014","0.0007","17.4636","0.0005","90","","99.651","0.002","90","","4271.9","0.2","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 Br2 N2 Ni -","- C46 H40 Br2 N2 Ni -","- C184 H160 Br8 N8 Ni4 -","4","1","","Wang, Xiaohua; Dong, Bo; Yang, Qi; Liu, Heng; Zhang, Chunyu; Zhang, Xuequan","α-Diimine nickel complexes bearing axially bulky terphenyl and equatorially bulky dibenzobarrelene groups: synthesis, characterization and olefin polymerization studies","Polymer Chemistry","2020","11","42","6783","6793","10.1039/D0PY01152E","","","1.54178","CuKα","","0.0674","0.0559","","","0.1924","0.207","","","","","","0.909","","","","has coordinates","258990","2020-11-06","13:21:44",""
"1559208","14.785","0.002","18.646","0.003","17.519","0.002","90","","107.516","0.003","90","","4605.7","1.1","192","2","192","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H24 Br2 F12 N2 Ni -","- C44 H24 Br2 F12 N2 Ni -","- C176 H96 Br8 F48 N8 Ni4 -","4","1","","Wang, Xiaohua; Dong, Bo; Yang, Qi; Liu, Heng; Zhang, Chunyu; Zhang, Xuequan","α-Diimine nickel complexes bearing axially bulky terphenyl and equatorially bulky dibenzobarrelene groups: synthesis, characterization and olefin polymerization studies","Polymer Chemistry","2020","11","42","6783","6793","10.1039/D0PY01152E","","","0.71073","MoKα","","0.1138","0.0729","","","0.1956","0.2168","","","","","","1.027","","","","has coordinates","258990","2020-11-06","13:21:45",""
"1559209","9.8291","0.0008","10.0499","0.0008","11.0308","0.0009","98.825","0.007","90.9","0.007","117.747","0.006","948.19","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis[tris(pyridin-2-yl)amine]iron(II) tris(dicyanomethylidene)methanediide","","- C40 H24 Fe N14 -","- C40 H24 Fe N14 -","- C40 H24 Fe N14 -","1","0.5","IM4010","Setifi, Zouaoui; Setifi, Fatima; Dege, Necmi; Al-Douh, Mohammed Hadi; Glidewell, Christopher","Bis[tris(pyridin-2-yl)amine]iron(II) tris(dicyanomethylidene)methanediide","IUCrData","2020","5","9","x201278","","10.1107/S241431462001278X","","","0.71073","MoKα","","0.0994","0.0673","","","0.1495","0.1641","","","","","","0.961","","","","has coordinates,has Fobs","256799","2020-10-21","18:00:00",""
"1559210","8.2694","0.0003","21.1783","0.0008","10.705","0.0004","90","","111.117","0.001","90","","1748.89","0.11","99.99","","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","10-Phenyl-10<i>H</i>-phenoxazine-4,6-diol tetrahydrofuran monosolvate","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C88 H84 N4 O16 -","4","1","PK4031","Whalen, Aislinn C.; Hernandez Brito, Claudia; Choi, Kyoung H.; Warner, Ellen J. T.; Thole, David A.; Gau, Michael R.; Carroll, Patrick J.; Anstey, Mitchell R.","10-Phenyl-10<i>H</i>-phenoxazine-4,6-diol tetrahydrofuran monosolvate","IUCrData","2020","5","9","x201276","","10.1107/S2414314620012766","","","0.71073","MoKα","","0.0482","0.0365","","","0.0838","0.0897","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","256800","2020-10-21","18:00:00",""
"1559211","20.6543","0.0003","8.365","0.0001","17.5215","0.0003","90","","97.371","0.002","90","","3002.23","0.08","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2-Bis[3,5-bis(dimethylamino)phenyl]-1,1,1,3,3,3-hexamethyltrisilane","","- C26 H48 N4 Si3 -","- C26 H48 N4 Si3 -","- C104 H192 N16 Si12 -","4","1","IS4044","Mizuhata, Yoshiyuki; Iwai, Kento; Tokitoh, Norihiro","2,2-Bis[3,5-bis(dimethylamino)phenyl]-1,1,1,3,3,3-hexamethyltrisilane","IUCrData","2020","5","9","x201299","","10.1107/S2414314620012997","","","0.71073","MoKα","","0.0397","0.0325","","","0.0817","0.0863","","","","","","1.038","","","","has coordinates,has Fobs","256801","2020-10-21","18:00:00",""
"1559212","46.281","0.013","10.16","0.003","31.262","0.008","90","","128.04","0.03","90","","11577","7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C233 H374 Cl10 N8 O18 -","- C233 H374 Cl10 N8 O18 -","- C466 H748 Cl20 N16 O36 -","2","0.25","","Trybuła, Danuta; Marszałek-Harych, Aleksandra; Gazińska, Małgorzata; Berski, Sławomir; Jędrzkiewicz, Dawid; Ejfler, Jolanta","N-Activated 1,3-Benzoxazine Monomer as a Key Agent in Polybenzoxazine Synthesis","Macromolecules","2020","","","","","10.1021/acs.macromol.0c02036","","","0.71073","MoKα","","0.2082","0.0902","","","0.1085","0.1439","","","","","","0.995","","","","has coordinates,has disorder","256810","2020-10-21","18:00:00",""
"1559213","5.923","0.002","14.601","0.005","15.874","0.006","97.16","0.03","95.32","0.03","99.12","0.03","1336","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H90 Cl2 N2 O3 -","- C58 H90 Cl2 N2 O3 -","- C58 H90 Cl2 N2 O3 -","1","0.5","","Trybuła, Danuta; Marszałek-Harych, Aleksandra; Gazińska, Małgorzata; Berski, Sławomir; Jędrzkiewicz, Dawid; Ejfler, Jolanta","N-Activated 1,3-Benzoxazine Monomer as a Key Agent in Polybenzoxazine Synthesis","Macromolecules","2020","","","","","10.1021/acs.macromol.0c02036","","","0.71073","MoKα","","0.2463","0.0956","","","0.162","0.2373","","","","","","0.962","","","","has coordinates,has disorder","256810","2020-10-21","18:00:00",""
"1559214","8.9486","0.0005","9.5948","0.0004","12.8823","0.0006","82.687","0.004","71.563","0.004","87.665","0.004","1040.77","0.09","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 Cl2 N O3 -","- C21 H23 Cl2 N O3 -","- C42 H46 Cl4 N2 O6 -","2","1","","Song, Liangliang; Zhang, Xiaoyong; Tang, Xiao; Van Meervelt, Luc; Van der Eycken, Johan; Harvey, Jeremy; Van der Eycken, Erik V.","Ruthenium-catalyzed cascade C-H activation/annulation of N-alkoxybenzamides: reaction development and mechanistic insight","Chemical Science","2020","","","","","10.1039/D0SC04434B","","x-ray","0.71073","MoKα","","0.0866","0.065","","","0.1713","0.1897","","","","","","1.049","","","","has coordinates","256813","2020-10-21","18:00:00",""
"1559215","8.0221","0.0002","11.806","0.0003","13.2172","0.0003","90","","102.032","0.002","90","","1224.29","0.05","179.97","0.18","179.97","0.18","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","1","","Zhang, Zhenxing; Zhang, Lei; Zhang, Xianhao; Yang, Jianxin; Yin, Yunxing; Jiang, Yangye; Zeng, Cheng-Chu; Lu, Gang; Yang, Yang; Mo, Fanyang","Anodic Oxidation Triggered Divergent 1,2- and 1,4-Group Transfer Reactions of β-Hydroxycarboxylic Acids Enabled by Electrochemical Regulation","Chemical Science","2020","","","","","10.1039/D0SC02386H","","x-ray","0.71073","MoKα","","0.0403","0.0374","","","0.1015","0.1033","","","","","","1.04","","","","has coordinates","256814","2020-10-21","18:00:00",""
"1559216","10.5509","0.0013","15.2802","0.0019","16.524","0.002","90","","90","","90","","2664","0.6","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 N2 O5 -","- C31 H30 N2 O5 -","- C124 H120 N8 O20 -","4","1","","Zhong, Ziwei; Xiao, Zhijie; Liu, Xiaohua; Cao, Weidi; Feng, Xiaoming","Catalytic asymmetric synthesis of 3,2'-pyrrolinyl spirooxindoles via conjugate addition/Schmidt-type rearrangement of vinyl azides and (E)-alkenyloxindoles","Chemical Science","2020","","","","","10.1039/D0SC03776A","","","1.54178","CuKα","","0.0336","0.0332","","","0.088","0.0887","","","","","","1.066","","","","has coordinates","256815","2020-10-21","18:00:00",""
"1559217","8.7795","0.0012","8.7795","0.0012","8.1964","0.0016","90","","90","","120","","547.13","0.15","153","2","153.15","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- C I3 Pb -","- C I3 Pb -","- C2 I6 Pb2 -","2","0.166667","","Yang, Ning; Zhu, Cheng; Chen, Yihua; Zai, Huachao; Wang, Chenyue; Wang, Xi; Wang, Hao; Ma, Sai; Gao, Ziyan; Wang, Xueyun; Hong, Jiawang; Bai, Yang; Zhou, Huanping; Cui, Bin-Bin; Chen, Qi","An in situ cross-linked 1D/3D perovskite heterostructure improves the stability of hybrid perovskite solar cells for over 3000 h operation","Energy & Environmental Science","2020","13","11","4344","4352","10.1039/D0EE01736A","","","0.71073","MoKα","","0.0974","0.0954","","","0.2868","0.2902","","","","","","1.251","","","","has coordinates","259603","2020-12-06","14:25:06",""
"1559218","27.0597","0.0016","27.0597","0.0016","8.5587","0.0006","90","","90","","120","","5427.3","0.6","293","2","293","2","","","","","","","","5","P 3","P 3","143","kaliophilite","","","- Al27 K24.67 Na2.33 O108 Si27 -","- Al27 K24.6685 Na2.3315 O108 Si27 -","- Al54 K49.337 Na4.663 O216 Si54 -","2","0.666667","","Mugnaioli, Enrico; Bonaccorsi, Elena; Lanza, Arianna E.; Elkaim, Erik; Diez-Gómez, Virginia; Sobrados, Isabel; Gemmi, Mauro; Gregorkiewitz, Miguel","The structure of kaliophilite KAlSiO~4~, a long-lasting crystallographic problem","IUCrJ","2020","7","6","","","10.1107/S2052252520012270","","","0.71073","MoKα","","0.0898","0.0768","","","0.1733","0.1822","","","","","","1.021","","","","has coordinates","256824","2020-10-21","18:00:00",""
"1559228","7.577","0.0006","7.6838","0.0006","10.2038","0.0008","101.843","0.006","90.893","0.006","104.642","0.006","561.11","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","<i>rac</i>-(<i>E</i>,<i>trans</i>)-4-Bromo-10,10-dimethyl-9,11-dioxabicyclo[6.3.0]undec-4-ene","","- C11 H17 Br O2 -","- C11 H17 Br O2 -","- C22 H34 Br2 O4 -","2","1","BT4098","Schollmeyer, Dieter; Heidrich, Maximilian; Detert, Heiner","<i>rac</i>-(<i>E</i>,<i>trans</i>)-4-Bromo-10,10-dimethyl-9,11-dioxabicyclo[6.3.0]undec-4-ene","IUCrData","2020","5","9","","","10.1107/S2414314620013024","","","0.71073","MoKα","","0.0371","0.0337","","","0.0851","0.0871","","","","","","1.147","","","","has coordinates,has Fobs","256882","2020-10-21","18:00:00",""
"1559229","7.655","0.0014","15.329","0.003","18.486","0.004","90","","92.088","0.007","90","","2167.8","0.7","98","","98","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Chlorido(4'-chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')(trifluoromethanesulfonato-κ<i>O</i>)zinc(II) acetonitrile monosolvate","","- C18 H13 Cl2 F3 N4 O3 S Zn -","- C18 H13 Cl2 F3 N4 O3 S Zn -","- C72 H52 Cl8 F12 N16 O12 S4 Zn4 -","4","1","VM4046","Adrian, Rafael A.; Arman, Hadi D.","Chlorido(4'-chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')(trifluoromethanesulfonato-κ<i>O</i>)zinc(II) acetonitrile monosolvate","IUCrData","2020","5","9","","","10.1107/S2414314620012924","","","0.71075","MoKα","","0.0298","0.027","","","0.0736","0.0751","","","","","","1.053","","","","has coordinates,has Fobs","256883","2020-10-21","18:00:00",""
"1559234","12.0519","0.0003","15.622","0.0004","32.384","0.0009","90","","90","","90","","6097.1","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H43 B N4 O4 S -","- C26 H29 B N4 O4 S -","- C208 H232 B8 N32 O32 S8 -","8","2","","Palvai, Sandeep; Bhangu, Jasmine; Akgun, Burcin; Moody, Christopher T.; Hall, Dennis G.; Brudno, Yevgeny","<i>In Vivo</i> Targeting Using Arylboronate/Nopoldiol Click Conjugation.","Bioconjugate chemistry","2020","","","","","10.1021/acs.bioconjchem.0c00453","","","1.54178","CuKα","","0.0399","0.0343","","","0.0852","0.0878","","","","","","1.015","","","","has coordinates","256894","2020-10-21","18:00:00",""
"1559235","11.40835","0.00019","13.7459","0.0003","7.12221","0.00012","90","","98.8139","0.0015","90","","1103.7","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 Al Cl S -","- C9 H12 Al Cl S -","- C36 H48 Al4 Cl4 S4 -","4","1","","Safaie, Niloofar; Rawal, Bandana; Ohno, Kohji; Ferrier, Robert C.","Aluminum-Based Initiators from Thiols for Epoxide Polymerizations","Macromolecules","2020","53","19","8181","8191","10.1021/acs.macromol.0c00464","","x-ray","1.54184","CuKα","","0.0592","0.0557","","","0.1533","0.1581","","","","","","1.135","","","","has coordinates","258719","2020-11-04","01:33:04",""
"1559236","10.7446","0.0002","13.1338","0.0003","7.1627","0.0002","90","","96.576","0.001","90","","1004.13","0.04","173","","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Al S -","- C9 H13 Al S -","- C36 H52 Al4 S4 -","4","1","","Safaie, Niloofar; Rawal, Bandana; Ohno, Kohji; Ferrier, Robert C.","Aluminum-Based Initiators from Thiols for Epoxide Polymerizations","Macromolecules","2020","53","19","8181","8191","10.1021/acs.macromol.0c00464","","","1.54178","CuKα","","0.031","0.0292","","","0.0763","0.0779","","","","","","1.073","","","","has coordinates","258719","2020-11-04","01:33:04",""
"1559237","9.3362","0.0006","7.5154","0.0006","13.7022","0.0008","90","","105.557","0.005","90","","926.2","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H30 Al2 S2 -","- C14 H30 Al2 S2 -","- C28 H60 Al4 S4 -","2","0.5","","Safaie, Niloofar; Rawal, Bandana; Ohno, Kohji; Ferrier, Robert C.","Aluminum-Based Initiators from Thiols for Epoxide Polymerizations","Macromolecules","2020","53","19","8181","8191","10.1021/acs.macromol.0c00464","","","1.54178","CuKα","","0.0601","0.0456","","","0.1168","0.1248","","","","","","1.029","","","","has coordinates","258719","2020-11-04","01:33:04",""
"1559238","8.7495","0.0005","9.7201","0.0005","9.7633","0.0007","93.858","0.005","114.425","0.007","109.404","0.005","692.53","0.09","294.15","","294.15","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 Br2 F -","- C15 H11 Br2 F -","- C30 H22 Br4 F2 -","2","1","","Liu, Zhong; Tu, Xian-Shuang; Guo, Le-Tao; Wang, Xiao-Chen","Aluminum‒Catalyzed Tunable Halodefluorination of Trifluoromethyl- and Difluoroalkyl-Substituted Olefins","Chemical Science","2020","","","","","10.1039/D0SC03883K","","x-ray","0.71073","MoKα","","0.049","0.0287","","","0.068","0.0741","","","","","","1.017","","","","has coordinates","256905","2020-10-21","18:00:00",""
"1559239","13.0257","0.0007","13.3355","0.0007","18.0392","0.0009","105.723","0.005","108.005","0.005","100.048","0.004","2752","0.3","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H11 Cl3 -","- C15 H11 Cl3 -","- C120 H88 Cl24 -","8","4","","Liu, Zhong; Tu, Xian-Shuang; Guo, Le-Tao; Wang, Xiao-Chen","Aluminum–Catalyzed Tunable Halodefluorination of Trifluoromethyl- and Difluoroalkyl-Substituted Olefins","Chemical Science","2020","","","","","10.1039/D0SC03883K","","","0.71073","MoKα","","0.1175","0.0986","","","0.2926","0.3124","","","","","","1.081","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1559240","9.1926","0.0006","18.6959","0.0012","18.8899","0.0012","93.315","0.002","103.878","0.0019","98.222","0.002","3105","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H32 Co O4 P -","- C18 H32 Co O4 P -","- C108 H192 Co6 O24 P6 -","6","3","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0437","0.0352","","","0.0867","0.0936","","","","","","1.016","","","","has coordinates,has disorder","260596","2021-01-07","04:17:32",""
"1559241","8.808","0.0009","11.2727","0.0011","11.4608","0.0011","87.2767","0.0016","86.0751","0.0016","81.5105","0.0016","1122.03","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H8 Co F18 O4 P -","- C15 H8 Co F18 O4 P -","- C30 H16 Co2 F36 O8 P2 -","2","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.029","0.0273","","","0.0675","0.0691","","","","","","1.043","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559242","9.342","0.0004","12.6826","0.0006","22.4709","0.001","90","","93.041","0.0014","90","","2658.6","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 Co O6 P -","- C27 H40 Co O6 P -","- C108 H160 Co4 O24 P4 -","4","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0335","0.0304","","","0.075","0.0766","","","","","","1.092","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559243","10.925","0.0002","12.6105","0.0002","20.1341","0.0003","90","","104.561","0.0005","90","","2684.77","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Co O6 P -","- C24 H40 Co O6 P -","- C96 H160 Co4 O24 P4 -","4","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0296","0.0258","","","0.0678","0.0705","","","","","","1.023","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559244","17.748","0.002","8.4442","0.0011","16.239","0.002","90","","91.117","0.002","90","","2433.2","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H34 Co N2 O6 P -","- C21 H34 Co N2 O6 P -","- C84 H136 Co4 N8 O24 P4 -","4","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0347","0.0275","","","0.0699","0.0737","","","","","","1.028","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559245","10.7864","0.0006","11.5313","0.0007","22.3359","0.0013","90","","90","","90","","2778.2","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 Co N O5 P -","- C33 H29 Co N O5 P -","- C132 H116 Co4 N4 O20 P4 -","4","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0268","0.0247","","","0.0599","0.0612","","","","","","1.052","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559246","9.7348","0.0005","13.5132","0.0007","14.3175","0.0009","67.708","0.006","77.216","0.005","89.13","0.004","1694.54","0.18","297.91","0.1","297.91","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H44 F6 N4 O6 S2 -","- C26 H44 F6 N4 O6 S2 -","- C52 H88 F12 N8 O12 S4 -","2","1","","Maiti, Avijit; Chandra, Shubhadeep; Sarkar, Biprajit; Jana, Anukul","Acyclic Diaminocarbene-Based Thiele, Chichibabin, and Müller Hydrocarbons","Chemical Science","2020","","","","","10.1039/D0SC03622F","","x-ray","0.71073","MoKα","","0.1557","0.0834","","","0.2056","0.2327","","","","","","1.04","","","","has coordinates","256967","2020-10-21","18:00:00",""
"1559247","8.4471","0.0005","8.8406","0.0006","10.0062","0.0007","96.01","0.006","105.1","0.006","104.691","0.005","686.09","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H42 N4 -","- C28 H42 N4 -","- C28 H42 N4 -","1","0.5","","Maiti, Avijit; Chandra, Shubhadeep; Sarkar, Biprajit; Jana, Anukul","Acyclic Diaminocarbene-Based Thiele, Chichibabin, and Müller Hydrocarbons","Chemical Science","2020","","","","","10.1039/D0SC03622F","","x-ray","0.71073","MoKα","","0.0917","0.0723","","","0.2174","0.2363","","","","","","1.072","","","","has coordinates","256967","2020-10-21","18:00:00",""
"1559248","10.8244","0.0013","9.4809","0.0018","11.803","0.0014","90","","92.827","0.011","90","","1209.8","0.3","240.01","0.1","240.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 N4 -","- C24 H44 N4 -","- C48 H88 N8 -","2","0.5","","Maiti, Avijit; Chandra, Shubhadeep; Sarkar, Biprajit; Jana, Anukul","Acyclic Diaminocarbene-Based Thiele, Chichibabin, and Müller Hydrocarbons","Chemical Science","2020","","","","","10.1039/D0SC03622F","","x-ray","0.71073","MoKα","","0.1376","0.1025","","","0.2537","0.2803","","","","","","1.002","","","","has coordinates","256967","2020-10-21","18:00:00",""
"1559249","13.8834","0.0007","9.6798","0.0005","29.2643","0.0014","90","","100.514","0.005","90","","3866.8","0.3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H48 F6 N4 O6 S2 -","- C32 H48 F6 N4 O6 S2 -","- C128 H192 F24 N16 O24 S8 -","4","0.5","","Maiti, Avijit; Chandra, Shubhadeep; Sarkar, Biprajit; Jana, Anukul","Acyclic Diaminocarbene-Based Thiele, Chichibabin, and Müller Hydrocarbons","Chemical Science","2020","","","","","10.1039/D0SC03622F","","x-ray","0.71073","MoKα","","0.0834","0.0656","","","0.1952","0.2073","","","","","","1.08","","","","has coordinates","256967","2020-10-21","18:00:00",""
"1559250","6.6157","0.0005","22.4602","0.0017","10.2356","0.0008","90","","93.229","0.007","90","","1518.5","0.2","197.19","0.1","197.19","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 N4 -","- C34 H46 N4 -","- C68 H92 N8 -","2","0.5","","Maiti, Avijit; Chandra, Shubhadeep; Sarkar, Biprajit; Jana, Anukul","Acyclic Diaminocarbene-Based Thiele, Chichibabin, and Müller Hydrocarbons","Chemical Science","2020","","","","","10.1039/D0SC03622F","","x-ray","0.71073","MoKα","","0.084","0.0601","","","0.1645","0.1934","","","","","","1.193","","","","has coordinates","256967","2020-10-21","18:00:00",""
"1559251","8.2696","0.0004","12.384","0.0007","27.8702","0.0013","90","","90","0.004","90","","2854.2","0.3","299.83","0.1","299.83","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H48 N4 -","- C30 H48 N4 -","- C120 H192 N16 -","4","0.5","","Maiti, Avijit; Chandra, Shubhadeep; Sarkar, Biprajit; Jana, Anukul","Acyclic Diaminocarbene-Based Thiele, Chichibabin, and Müller Hydrocarbons","Chemical Science","2020","","","","","10.1039/D0SC03622F","","x-ray","0.71073","MoKα","","0.0797","0.0558","","","0.1408","0.1535","","","","","","1.026","","","","has coordinates","256967","2020-10-21","18:00:00",""
"1559252","8.2064","0.0003","8.6379","0.0003","18.5201","0.0007","86.324","0.003","89.745","0.003","69.232","0.003","1224.75","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H52 F6 N4 O6 S2 -","- C38 H52 F6 N4 O6 S2 -","- C38 H52 F6 N4 O6 S2 -","1","0.5","","Maiti, Avijit; Chandra, Shubhadeep; Sarkar, Biprajit; Jana, Anukul","Acyclic Diaminocarbene-Based Thiele, Chichibabin, and Müller Hydrocarbons","Chemical Science","2020","","","","","10.1039/D0SC03622F","","x-ray","0.71073","MoKα","","0.0834","0.0644","","","0.1887","0.2047","","","","","","1.08","","","","has coordinates,has disorder","256967","2020-10-21","18:00:00",""
"1559253","15.117","0.0008","9.2664","0.0005","11.9686","0.0007","90","","108.222","0.006","90","","1592.49","0.16","240","0.1","240","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 N4 -","- C36 H52 N4 -","- C72 H104 N8 -","2","0.5","","Maiti, Avijit; Chandra, Shubhadeep; Sarkar, Biprajit; Jana, Anukul","Acyclic Diaminocarbene-Based Thiele, Chichibabin, and Müller Hydrocarbons","Chemical Science","2020","","","","","10.1039/D0SC03622F","","x-ray","0.71073","MoKα","","0.0837","0.0564","","","0.1513","0.1625","","","","","","1.062","","","","has coordinates","256967","2020-10-21","18:00:00",""
"1559254","7.8003","0.0003","10.8755","0.0004","15.0688","0.0005","70.989","0.001","88.162","0.001","70.886","0.001","1137.98","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cu N8 O8 -","- C16 H18 Cu N8 O8 -","- C32 H36 Cu2 N16 O16 -","2","1","","Chevalier, Aline; Osypenko, Artem; Lehn, Jean-Marie; Meyer, Daniel","Phase transfer of metal cations by induced dynamic carrier agents: biphasic extraction based on dynamic covalent chemistry","Chemical Science","2020","","","","","10.1039/D0SC04098C","","","0.71073","MoKα","","0.0584","0.0455","","","0.115","0.1216","","","","","","1.057","","","","has coordinates","256968","2020-10-21","18:00:00",""
"1559255","8.415","0.0003","13.2916","0.0005","16.6694","0.0005","90","","100.322","0.001","90","","1834.28","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Cu N7 O5 -","- C16 H17 Cu N7 O5 -","- C64 H68 Cu4 N28 O20 -","4","1","","Chevalier, Aline; Osypenko, Artem; Lehn, Jean-Marie; Meyer, Daniel","Phase transfer of metal cations by induced dynamic carrier agents: biphasic extraction based on dynamic covalent chemistry","Chemical Science","2020","","","","","10.1039/D0SC04098C","","","0.71073","MoKα","","0.0413","0.0294","","","0.0665","0.0725","","","","","","1.034","","","","has coordinates","256968","2020-10-21","18:00:00",""
"1559256","9.369","0.0004","8.7013","0.0005","12.1951","0.0006","90","","112.512","0.003","90","","918.42","0.08","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H16 Cl Cu2 N6 O2 -","- C16 H16 Cl Cu2 N6 O2 -","- C32 H32 Cl2 Cu4 N12 O4 -","2","0.5","","Chevalier, Aline; Osypenko, Artem; Lehn, Jean-Marie; Meyer, Daniel","Phase transfer of metal cations by induced dynamic carrier agents: biphasic extraction based on dynamic covalent chemistry","Chemical Science","2020","","","","","10.1039/D0SC04098C","","","1.54178","CuKα","","0.0795","0.0526","","","0.1344","0.1498","","","","","","1.038","","","","has coordinates","256968","2020-10-21","18:00:00",""
"1559261","14.6657","0.0004","9.2134","0.0003","27.2283","0.0019","90","","105.599","0.007","90","","3543.6","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O7 -","- C19 H22 O7 -","- C152 H176 O56 -","8","4","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","","1.54187","CuKα","","0.1015","0.0561","","","0.1321","0.1618","","","","","","0.948","","","","has coordinates","258715","2020-11-04","01:28:14",""
"1559262","8.0071","0.0003","10.1293","0.0004","20.8919","0.0009","84.188","0.004","80.126","0.004","89.579","0.003","1660.7","0.12","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C33 H50 O9 -","- C33 H50 O9 -","- C66 H100 O18 -","2","2","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","x-ray","0.71073","MoKα","","0.0997","0.0616","","","0.1437","0.1601","","","","","","1.012","","","","has coordinates,has disorder","258715","2020-11-04","01:28:16",""
"1559263","6.9816","0.0002","7.0672","0.0016","7.8911","0.0018","81.9415","0.0019","73.77","0.002","62.844","0.003","332.59","0.11","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H18 O6 -","- C15 H18 O6 -","- C15 H18 O6 -","1","1","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","x-ray","0.71073","MoKα","","0.0341","0.0325","","","0.0862","0.087","","","","","","1.063","","","","has coordinates","258715","2020-11-04","01:28:16",""
"1559264","8.1822","0.0003","11.6976","0.0004","20.5756","0.0014","90","","90","","90","","1969.33","0.17","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O9 -","- C20 H28 O9 -","- C80 H112 O36 -","4","1","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","","1.54187","CuKα","","0.0443","0.0357","","","0.0844","0.0929","","","","","","1.121","","","","has coordinates","258715","2020-11-04","01:28:16",""
"1559265","7.9046","0.0003","10.2052","0.0004","17.7713","0.0013","96.518","0.007","91.665","0.007","90.773","0.006","1423.5","0.13","203","2","203","2","","","","","","","","3","P 1","P 1","1","","","","- C29 H42 O9 -","- C29 H42 O9 -","- C58 H84 O18 -","2","2","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","","1.54187","CuKα","","0.0599","0.0505","","","0.1246","0.1519","","","","","","1.108","","","","has coordinates,has disorder","258715","2020-11-04","01:28:16",""
"1559266","6.9381","0.0001","12.35","0.0003","23.4283","0.0016","90","","90","","90","","2007.47","0.15","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O9 -","- C20 H28 O9 -","- C80 H112 O36 -","4","1","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","","1.54187","CuKα","","0.0398","0.0324","","","0.0787","0.0878","","","","","","1.097","","","","has coordinates","258715","2020-11-04","01:28:16",""
"1559267","9.6322","0.0003","10.6501","0.0004","14.5182","0.001","90","","100.881","0.007","90","","1462.56","0.13","203","2","203","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O10 -","- C30 H46 O10 -","- C60 H92 O20 -","2","1","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","","1.54187","CuKα","","0.151","0.0871","","","0.1969","0.2646","","","","","","1.107","","","","has coordinates,has disorder","258715","2020-11-04","01:28:16",""
"1559268","9.987","0.006","15.646","0.01","18.337","0.011","90","","98.457","0.007","90","","2834","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 B Ir O2 P2 -","- C28 H40 B Ir O2 P2 -","- C112 H160 B4 Ir4 O8 P8 -","4","1","","Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Reversible Addition of Ethylene to a Pincer-Based Boryl-Iridium Unit with the Formation of a Bridging Ethylidene","Chemical Science","2020","","","","","10.1039/D0SC04748A","","","0.71073","MoKα","","0.0379","0.0325","","","0.0896","0.0952","","","","","","0.966","","","","has coordinates","257194","2020-10-21","18:00:00",""
"1559269","16.077","0.01","18.242","0.011","18.253","0.011","90","","90","","90","","5353","6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H44 B Ir P2 -","- C28 H44 B Ir P2 -","- C224 H352 B8 Ir8 P16 -","8","1","","Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Reversible Addition of Ethylene to a Pincer-Based Boryl-Iridium Unit with the Formation of a Bridging Ethylidene","Chemical Science","2020","","","","","10.1039/D0SC04748A","","","0.71073","MoKα","","0.0345","0.0218","","","0.0449","0.0486","","","","","","1.011","","","","has coordinates","257194","2020-10-21","18:00:00",""
"1559270","18.4602","0.0007","18.1913","0.0008","16.0356","0.0006","90","","90","","90","","5385","0.4","110","","110","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H77.78 B2 Ir2 O2 P4 -","- C54 H77.775 B2 Ir2 O2 P4 -","- C216 H311.1 B8 Ir8 O8 P16 -","4","1","","Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Reversible Addition of Ethylene to a Pincer-Based Boryl-Iridium Unit with the Formation of a Bridging Ethylidene","Chemical Science","2020","","","","","10.1039/D0SC04748A","","","0.71073","MoKα","","0.0388","0.0339","","","0.0651","0.067","","","","","","1.106","","","","has coordinates,has disorder","257194","2020-10-21","18:00:00",""
"1559272","9.47","0.003","15.53","0.004","7.34","0.002","90","","92.147","0.009","90","","1078.7","0.5","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 Br4 -","- C10 H4 Br4 -","- C40 H16 Br16 -","4","1","","HOSSAIN, Md Awlad; HIRABAYASHI, Kazunori; NISHINAGA, Tohru; SHIMIZU, Toshio; SUGIURA, Ken-ichi","Crystal Structure Refinement of 1,4,5,8-Tetrabromonaphthalene: A Twisted Chiral Naphthalene Induced by Steric Repulsion","X-ray Structure Analysis Online","2020","36","0","35","37","10.2116/xraystruct.36.35","","","0.71075","MoKα","","0.0332","0.0249","","","0.0555","0.0572","","","","","","0.715","","","","has coordinates","258160","2020-10-21","18:00:00",""
"1559273","10.2053","0.0018","33.277","0.006","8.8733","0.0015","90","","113.904","0.003","90","","2754.9","0.8","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N7 O4 Ru -","- C30 H34 N7 O4 Ru -","- C120 H136 N28 O16 Ru4 -","4","1","","MITSUHASHI, Ryoji; MIKURIYA, Masahiro","Synthesis and Crystal Structure of Tris[2-(2-imidazolinyl)phenolato]ruthenium(III)","X-ray Structure Analysis Online","2020","36","0","33","34","10.2116/xraystruct.36.33","","","0.71073","MoKα","","0.1168","0.0711","","","0.135","0.1487","","","","","","1.027","","","","has coordinates","258161","2020-10-21","18:00:00",""
"1559274","26.8903","0.0012","26.8903","0.0012","26.8903","0.0012","90","","90","","90","","19444.1","1.5","100","2","99.99","","","","","","","","","3","F m -3 m","-F 4 2 3","225","UiO-67-Me~2~","","","- C96 O40 Zr6 -","- C96 O40 Zr6 -","- C384 O160 Zr24 -","4","0.0208333","","Øien-Ødegaard, Sigurd; Lillerud, Karl","Twinning in Zr-Based Metal-Organic Framework Crystals","Chemistry","2020","2","3","777","786","10.3390/chemistry2030050","","x-ray","0.71073","MoKα","","0.0531","0.0479","","","0.1686","0.1743","","","","","","1.127","","","","has coordinates","258172","2020-10-21","18:00:00",""
"1559275","19.6105","0.0006","15.8275","0.0005","20.3903","0.0006","90","","90","","90","","6328.8","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H31 Co N9 O6 -","- C29 H31 Co N9 O6 -","- C232 H248 Co8 N72 O48 -","8","1","","Mondal, Amit Kumar; Mondal, Arpan; Konar, Sanjit","Slow Magnetic Relaxation in a One-Dimensional Coordination Polymer Constructed from Hepta-Coordinate Cobalt(II) Nodes","Magnetochemistry","2020","6","4","45","","10.3390/magnetochemistry6040045","","","0.71073","MoKα","","0.0812","0.0607","","","0.1813","0.197","","","","","","1.095","","","","has coordinates","258173","2020-10-21","18:00:00",""
"1559276","7.8666","0.0009","10.2719","0.0013","11.8789","0.0015","87.557","0.009","77.371","0.008","73.908","0.007","899.8","0.2","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H13 Cl -","- C10 H13 Cl -","- C40 H52 Cl4 -","4","2","","Aitken, R. Alan; Slawin, Alexandra M. Z.","2,4,6-Trimethylbenzyl Chloride (α2-Chloroisodurene)","Molbank","2020","2020","3","M1156","","10.3390/M1156","","","0.71075","MoKα","","0.0304","0.029","","","0.089","0.0901","","","","","","1.063","","","","has coordinates","258174","2020-10-21","18:00:00",""
"1559277","49.281","0.02","8.517","0.003","11.787","0.004","90","","100.41","0.005","90","","4866","3","566","2","566.3","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 N O2 -","- C28 H34 N O2 -","- C224 H272 N8 O16 -","8","1","","Ren, Shuyue; Jiao, Lingtai; Yang, Shiying; Zhang, Li; Song, Junke; Yu, Haoying; Wang, Jingrong; Lv, Tingting; Sun, Lan; Lu, Yang; Du, Guanhua","A Novel Co-Crystal of Bexarotene and Ligustrazine Improves Pharmacokinetics and Tissue Distribution of Bexarotene in SD Rats.","Pharmaceutics","2020","12","10","906","","10.3390/pharmaceutics12100906","","","1.54178","CuKα","","0.0804","0.0621","","","0.1693","0.1887","","","","","","0.961","","","","has coordinates","258175","2020-10-21","18:00:00",""
"1559278","13.583","0.0005","15.4136","0.0005","19.6284","0.0014","90","","90","","90","","4109.5","0.4","235","","235.15","","","","","","","","Isaria farinosa","4","P 21 21 21","P 2ac 2ab","19","Paecilosetin C","Compound 5","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C176 H232 N8 O24 -","8","2","","Brel, Orianne; Touré, Seindé; Levasseur, Marceau; Lechat, Christian; Pellissier, Léonie; Wolfender, Jean-Luc; Van-Elslande, Elsa; Litaudon, Marc; Dusfour, Isabelle; Stien, Didier; Eparvier, Véronique","Paecilosetin Derivatives as Potent Antimicrobial Agents from <i>Isaria farinosa</i>.","Journal of natural products","2020","83","10","2915","2922","10.1021/acs.jnatprod.0c00444","","x-ray","1.54187","CuKα","","0.1401","0.048","","","0.076","0.1131","","","","","","1.044","","","","has coordinates","258714","2020-11-04","01:27:57",""
"1559279","35.7359","0.0009","12.1275","0.0002","27.9938","0.0007","90","","112.354","0.002","90","","11220.4","0.5","160","2","160","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H53 Cl3 Cu F6 N2 O5 P3 -","- C58 H53 Cl3 Cu F6 N2 O5 P3 -","- C464 H424 Cl24 Cu8 F48 N16 O40 P24 -","8","1","","Li, Chenfei; Dickson, Robert; Rockstroh, Nils; Rabeah, Jabor; Cordes, David B.; Slawin, Alexandra M. Z.; Hünemörder, Paul; Spannenberg, Anke; Bühl, Michael; Mejía, Esteban; Zysman-Colman, Eli; Kamer, Paul C. J.","Ligand electronic fine-tuning and its repercussion on the photocatalytic activity and mechanistic pathways of the copper-photocatalysed aza-Henry reaction","Catalysis Science & Technology","2020","10","22","7745","7756","10.1039/D0CY01221A","","","0.71073","MoKα","","0.0607","0.0432","","","0.1157","0.1218","","","","","","0.938","","","","has coordinates,has disorder","259600","2020-12-06","13:07:17",""
"1559280","11.4434","0.0001","20.2661","0.0002","27.9804","0.0004","90","","99.805","0.001","90","","6394.24","0.13","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H40 Cu F18 N2 O P3 -","- C57 H40 Cu F18 N2 O P3 -","- C228 H160 Cu4 F72 N8 O4 P12 -","4","1","","Li, Chenfei; Dickson, Robert; Rockstroh, Nils; Rabeah, Jabor; Cordes, David B.; Slawin, Alexandra M. Z.; Hünemörder, Paul; Spannenberg, Anke; Bühl, Michael; Mejía, Esteban; Zysman-Colman, Eli; Kamer, Paul C. J.","Ligand electronic fine-tuning and its repercussion on the photocatalytic activity and mechanistic pathways of the copper-photocatalysed aza-Henry reaction","Catalysis Science & Technology","2020","10","22","7745","7756","10.1039/D0CY01221A","","x-ray","1.54184","CuKα","","0.0798","0.0786","","","0.1611","0.1615","","","","","","1.173","","","","has coordinates","259600","2020-12-06","13:07:18",""
"1559281","20.0292","0.0016","18.4196","0.0014","22.4625","0.0016","90","","90","","90","","8287.1","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H48 F5 N5 Ni -","- C47 H48 F5 N5 Ni -","- C376 H384 F40 N40 Ni8 -","8","1","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","","0.71073","MoKα","","0.0968","0.05","","","0.124","0.1541","","","","","","1.035","","","","has coordinates","258209","2020-10-21","18:00:00",""
"1559282","13.8929","0.0005","10.8012","0.0004","27.4228","0.0009","90","","91.771","0.002","90","","4113.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 F3 N4 Ni -","- C48 H50 F3 N4 Ni -","- C192 H200 F12 N16 Ni4 -","4","1","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","","0.71073","MoKα","","0.0527","0.037","","","0.0883","0.0957","","","","","","1.02","","","","has coordinates,has disorder","258209","2020-10-21","18:00:00",""
"1559283","20.0814","0.0016","18.4603","0.0014","22.7528","0.0018","90","","90","","90","","8434.7","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H49 F5 N4 Ni -","- C48 H49 F5 N4 Ni -","- C384 H392 F40 N32 Ni8 -","8","1","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","","0.71073","MoKα","","0.0724","0.0463","","","0.1023","0.1166","","","","","","1.039","","","","has coordinates","258209","2020-10-21","18:00:00",""
"1559284","17.3579","0.0003","13.3131","0.0002","19.0795","0.0003","90","","105.933","0.002","90","","4239.65","0.13","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C48 H48 F5 N4 Ni -","- C48 H48 F5 N4 Ni -","- C192 H192 F20 N16 Ni4 -","4","0.5","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","x-ray","1.54184","CuKα","","0.043","0.04","","","0.1067","0.1096","","","","","","1.083","","","","has coordinates","258209","2020-10-21","18:00:00",""
"1559285","21.976","0.003","13.106","0.0015","17.395","0.003","90","","122.824","0.003","90","","4210.2","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H49 F4 N4 Ni -","- C48 H49 F4 N4 Ni -","- C192 H196 F16 N16 Ni4 -","4","0.5","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","","0.71073","MoKα","","0.0533","0.044","","","0.115","0.1214","","","","","","1.04","","","","has coordinates","258209","2020-10-21","18:00:00",""
"1559286","15.9816","0.0012","31.3","0.002","15.8502","0.0012","90","","90","","90","","7928.7","1","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C42 H48 B F4 N4 Ni -","- C42 H48 B F4 N4 Ni -","- C336 H384 B8 F32 N32 Ni8 -","8","1","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","","0.71073","MoKα","","0.0759","0.0528","","","0.1166","0.1267","","","","","","1.1","","","","has coordinates","258209","2020-10-21","18:00:00",""
"1559287","20.5349","0.001","18.6375","0.0009","22.7188","0.0012","90","","90","","90","","8694.9","0.8","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H48 F6 N4 Ni -","- C48 H48 F6 N4 Ni -","- C384 H384 F48 N32 Ni8 -","8","1","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","","0.71073","MoKα","","0.0815","0.0567","","","0.1233","0.1358","","","","","","1.09","","","","has coordinates,has disorder","258209","2020-10-21","18:00:00",""
"1559288","17.054","0.002","18.722","0.003","22.837","0.003","90","","90","","90","","7291.5","1.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H48 F2 N4 Ni -","- C42 H48 F2 N4 Ni -","- C336 H384 F16 N32 Ni8 -","8","1","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","","0.71073","MoKα","","0.0891","0.0576","","","0.1478","0.1766","","","","","","1.051","","","","has coordinates","258209","2020-10-21","18:00:00",""
"1559289","57.6292","0.0015","16.977","0.0005","48.8318","0.0013","90","","115.332","0.001","90","","43182","2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C230 H264 Al6 Mo90 N46 O255 -","- C205.5 H120 Al7.6 Mo91.583 N43.5 O218.42 -","- C822 H480 Al30.4 Mo366.332 N174 O873.68 -","4","1","","Yu, Fang; Luo, Benlong; Sang, Ruili; Xu, Li","Mo[O<sub>8</sub>Mo<sub>4</sub>]<sub>3</sub> Lewis acid-base cluster pairs: highly efficient and stable Lewis catalysis fields frustrated in crystalline nanoclusters.","Nanoscale","2020","12","39","20230","20238","10.1039/d0nr05822j","","","1.54178","CuKα","","0.0968","0.0935","","","0.3028","0.3061","","","","","","2.607","","","","has coordinates","258885","2020-11-06","12:38:28",""
"1559290","42.3973","0.0018","42.3973","0.0018","42.3973","0.0018","90","","90","","90","","76210","6","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C60 H82 Mo66 N12 O213 V11 -","- C60 H60 Mo66 N12 O213 V11 -","- C480 H480 Mo528 N96 O1704 V88 -","8","0.0416667","","Yu, Fang; Luo, Benlong; Sang, Ruili; Xu, Li","Mo[O<sub>8</sub>Mo<sub>4</sub>]<sub>3</sub> Lewis acid-base cluster pairs: highly efficient and stable Lewis catalysis fields frustrated in crystalline nanoclusters.","Nanoscale","2020","12","39","20230","20238","10.1039/d0nr05822j","","","0.71073","MoKα","","0.0831","0.0735","","","0.2385","0.2504","","","","","","2.251","","","","has coordinates","258885","2020-11-06","12:38:29",""
"1559291","42.593","0.002","42.593","0.002","42.593","0.002","90","","90","","90","","77271","6","240","2","240","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C60 H70 Ge9 Mo68 N12 O209 -","- C60 H60 Ge9 Mo68 N12 O209 -","- C480 H480 Ge72 Mo544 N96 O1672 -","8","0.0416667","","Yu, Fang; Luo, Benlong; Sang, Ruili; Xu, Li","Mo[O<sub>8</sub>Mo<sub>4</sub>]<sub>3</sub> Lewis acid-base cluster pairs: highly efficient and stable Lewis catalysis fields frustrated in crystalline nanoclusters.","Nanoscale","2020","12","39","20230","20238","10.1039/d0nr05822j","","","0.71073","MoKα","","0.0977","0.0727","","","0.1906","0.2035","","","","","","1.451","","","","has coordinates","258885","2020-11-06","12:38:29",""
"1559292","6.3429","0.0009","6.9256","0.0011","13.53","0.002","90","","99.769","0.012","90","","585.73","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C20 H28 N4 O12 -","4","1","","Muhl, Christian; Zengerling, Lydia; Groß, Jonathan; Eckhardt, Paul; Opatz, Till; Besenius, Pol; Barz, Matthias","Insight into the synthesis of N-methylated polypeptides","Polymer Chemistry","2020","11","43","6919","6927","10.1039/D0PY01055C","","","0.71073","MoKα","","0.175","0.117","","","0.2821","0.3278","","","","","","1.145","","","","has coordinates","259626","2020-12-06","14:54:23",""
"1559293","7.9782","0.001","5.9102","0.0005","9.3714","0.0013","90","","100.168","0.011","90","","434.95","0.09","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 N O3 S -","- C7 H11 N O3 S -","- C14 H22 N2 O6 S2 -","2","1","","Muhl, Christian; Zengerling, Lydia; Groß, Jonathan; Eckhardt, Paul; Opatz, Till; Besenius, Pol; Barz, Matthias","Insight into the synthesis of N-methylated polypeptides","Polymer Chemistry","2020","11","43","6919","6927","10.1039/D0PY01055C","","","0.71073","MoKα","","0.0991","0.0756","","","0.1762","0.1951","","","","","","1.058","","","","has coordinates","259626","2020-12-06","14:54:23",""
"1559294","17.9121","0.0006","22.9333","0.0008","22.1479","0.0011","90","","90","","90","","9098","0.6","123","","123","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C44 H32 F12 N4 P2 -","- C44 H32 F12 N4 P2 -","- C352 H256 F96 N32 P16 -","8","0.5","","Kodama, Takuya; Kubo, Maiko; Shinji, Wataru; Ohkubo, Kei; Tobisu, Mamoru","Phenylene-bridged bis(benzimidazolium) (BBIm2+): a dicationic organic photoredox catalyst","Chemical Science","2020","","","","","10.1039/D0SC03958F","","x-ray","0.71073","MoKα","","0.1396","0.1005","","","0.246","0.2714","","","","","","1.0321","","","","has coordinates","258241","2020-10-21","18:00:00",""
"1559295","10.0517","0.0003","11.6821","0.0006","12.7352","0.0007","90","","90","","90","","1495.43","0.12","200","","200","","","","","","","","local","3","P b c a","-P 2ac 2ab","61","","","","- C9 H8 N2 -","- C9 H8 N2 -","- C72 H64 N16 -","8","1","","Lording, William J.; Fallon, Thomas; Sherburn, Michael Stephen; Paddon-Row, Michael N","The Simplest Diels-Alder Reactions Are Not Endo-Selective","Chemical Science","2020","","","","","10.1039/D0SC04553E","","","0.71073","MoKα","","0.0599","0.044","","0.1028","0.0961","0.1028","","","","","","1.0478","","","","has coordinates","258242","2020-10-21","18:00:00",""
"1559296","7.711","0.0002","8.0661","0.0002","12.5023","0.0003","90","","90","","90","","777.61","0.03","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 N2 -","- C9 H8 N2 -","- C36 H32 N8 -","4","1","","Lording, William J.; Fallon, Thomas; Sherburn, Michael Stephen; Paddon-Row, Michael N","The Simplest Diels-Alder Reactions Are Not Endo-Selective","Chemical Science","2020","","","","","10.1039/D0SC04553E","","","0.71073","MoKα","","0.0443","0.0393","","0.1023","0.0996","0.1023","","","","","","1.0447","","","","has coordinates","258242","2020-10-21","18:00:00",""
"1559297","13.4664","0.0002","14.7987","0.0002","19.627","0.0003","90","","91.27","0.001","90","","3910.41","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H122 As2 Fe2 N4 -","- C84 H122 As2 Fe2 N4 -","- C168 H244 As4 Fe4 N8 -","2","0.5","","Beltrán-Suito, Rodrigo; Menezes, Prashanth W.; Dau, Holger; Zebger, Ingo; Laun, Konstantin; Zaharieva, Ivelina; Driess, Matthias; mebs, stephan; Hausmann, Jan Niklas; Forstner, Viktoria; Schmidt, Johannes","A Soft Molecular 2Fe 2As Precursor Approach to Nanostructured FeAs For Efficient Electrocatalytic Water Oxidation","Chemical Science","2020","","","","","10.1039/D0SC04384B","","","1.54184","CuKα","","0.0455","0.0364","","","0.0929","0.1001","","","","","","1.033","","","","has coordinates,has disorder","258243","2020-10-21","18:00:00",""
"1559298","8.021","0.0002","10.0682","0.0002","29.3914","0.0007","90","","90","","90","","2373.56","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O7 -","- C22 H28 O7 -","- C88 H112 O28 -","4","1","","de Mattos-Shipley, Kate M. J.; Spencer, Catherine E.; Greco, Claudio; Heard, David M.; O'Flynn, Daniel E.; Dao, Trong T.; Song, Zhongshu; Mulholland, Nicholas P.; Vincent, Jason L.; Simpson, Thomas J.; Cox, Russell J.; Bailey, Andrew M.; Willis, Christine L.","Uncovering biosynthetic relationships between antifungal nonadrides and octadrides","Chemical Science","2020","","","","","10.1039/D0SC04309E","","","0.71073","MoKα","","0.0678","0.0547","","","0.1346","0.141","","","","","","1.059","","","","has coordinates,has disorder","258245","2020-10-21","18:00:00",""
"1559299","11.3164","0.0003","6.9373","0.0001","17.384","0.0004","90","","102.274","0.002","90","","1333.54","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N O10 -","- C28 H29 N O10 -","- C56 H58 N2 O20 -","2","1","","de Mattos-Shipley, Kate M. J.; Spencer, Catherine E.; Greco, Claudio; Heard, David M.; O'Flynn, Daniel E.; Dao, Trong T.; Song, Zhongshu; Mulholland, Nicholas P.; Vincent, Jason L.; Simpson, Thomas J.; Cox, Russell J.; Bailey, Andrew M.; Willis, Christine L.","Uncovering biosynthetic relationships between antifungal nonadrides and octadrides","Chemical Science","2020","","","","","10.1039/D0SC04309E","","","0.71073","MoKα","","0.0411","0.0339","","","0.0709","0.0739","","","","","","1.031","","","","has coordinates","258245","2020-10-21","18:00:00",""
"1559300","11.617","0.002","12.88","0.003","27.194","0.005","90","","90","","90","","4069","1.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O6 -","- C22 H28 O6 -","- C176 H224 O48 -","8","2","","de Mattos-Shipley, Kate M. J.; Spencer, Catherine E.; Greco, Claudio; Heard, David M.; O'Flynn, Daniel E.; Dao, Trong T.; Song, Zhongshu; Mulholland, Nicholas P.; Vincent, Jason L.; Simpson, Thomas J.; Cox, Russell J.; Bailey, Andrew M.; Willis, Christine L.","Uncovering biosynthetic relationships between antifungal nonadrides and octadrides","Chemical Science","2020","","","","","10.1039/D0SC04309E","","","1.54178","CuKα","","0.0541","0.0539","","","0.1383","0.1386","","","","","","1.048","","","","has coordinates","258245","2020-10-21","18:00:00",""
"1559301","12.5519","0.0009","23.6646","0.0018","16.9746","0.0012","90","","94.02","0.002","90","","5029.7","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Cy2NNN)RuCl2(CO)","","- C21.5 H32 Cl2 N3 O2.5 Ru -","- C21.5 H30 Cl2 N3 O2.5 Ru -","- C172 H240 Cl16 N24 O20 Ru8 -","8","2","","Das, Kanu; Yasmin, Eileen; Das, Babulal; Srivastava, Hemant Kumar; Kumar, Akshai","Phosphine-free pincer-ruthenium catalyzed biofuel production: high rates, yields and turnovers of solventless alcohol alkylation","Catalysis Science & Technology","2020","10","24","8347","8358","10.1039/D0CY01679A","","","0.71073","MoKα","","0.0989","0.0672","","","0.1315","0.1572","","","","","","0.925","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1559302","9.2304","0.0005","10.8098","0.0006","18.2395","0.0011","90","","96.278","0.002","90","","1809","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(iPr2NNN)RuCl2(CO)","","- C14 H21 Cl2 N3 O2 Ru -","- C14 H21 Cl2 N3 O2 Ru -","- C56 H84 Cl8 N12 O8 Ru4 -","4","1","","Das, Kanu; Yasmin, Eileen; Das, Babulal; Srivastava, Hemant Kumar; Kumar, Akshai","Phosphine-free pincer-ruthenium catalyzed biofuel production: high rates, yields and turnovers of solventless alcohol alkylation","Catalysis Science & Technology","2020","10","24","8347","8358","10.1039/D0CY01679A","","","0.71073","MoKα","","0.0455","0.0376","","","0.0872","0.0939","","","","","","1.042","","","","has coordinates","260595","2021-01-07","04:17:16",""
"1559303","48.916","0.003","48.916","0.003","13.7593","0.001","90","","90","","90","","32923","4","103","2","103","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C87 H95 B2 Cl F10 O4 S4 -","- C81 H90 B2 F10 O4 S4 -","- C1296 H1440 B32 F160 O64 S64 -","16","1","","Li, Panpan; Liang, Quanbin; Hong, Eugene Yau-Hin; Chan, Chin-Yiu; Cheng, Yat-Hin; Leung, Ming-Yi; Chan, Mei-Yee; Low, Kam-Hung; Wu, Hongbin; Yam, Vivian Wing-Wah","Boron(iii) β-diketonate-based small molecules for functional non-fullerene polymer solar cells and organic resistive memory devices","Chemical Science","2020","","","","","10.1039/D0SC04047A","","","1.34138","GaKα","","0.1567","0.0979","","","0.2642","0.3243","","","","","","1.125","","","","has coordinates,has disorder","258261","2020-10-21","18:00:00",""
"1559304","5.8853","0.0002","7.6219","0.0002","16.1377","0.0004","90","","97.424","0.003","90","","717.82","0.04","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","Chan, Hau Sun Sam; Thompson, Amber L.; Christensen, Kirsten E.; Burton, Jonathan W.","Forwards and backwards ‒ synthesis of Laurencia natural products using a biomimetic and retrobiomimetic strategy incorporating structural reassignment of laurefurenynes C‒F","Chemical Science","2020","","","","","10.1039/D0SC04120C","","","1.54184","CuKα","","0.0458","0.0439","","0.1175","0.1151","0.1175","","","","","","1.0016","","","","has coordinates","258262","2020-10-21","18:00:00",""
"1559305","6.6615","0.0002","9.1823","0.0002","22.2795","0.0006","90","","90","","90","","1362.79","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 Br O3 -","- C13 H21 Br O3 -","- C52 H84 Br4 O12 -","4","1","","Chan, Hau Sun Sam; Thompson, Amber L.; Christensen, Kirsten E.; Burton, Jonathan W.","Forwards and backwards ‒ synthesis of Laurencia natural products using a biomimetic and retrobiomimetic strategy incorporating structural reassignment of laurefurenynes C‒F","Chemical Science","2020","","","","","10.1039/D0SC04120C","","","1.54184","CuKα","","0.0331","0.0326","","0.0923","0.0921","0.0923","","","","","","1.0686","","","","has coordinates","258262","2020-10-21","18:00:00",""
"1559306","8.3606","0.0003","13.1527","0.0007","14.3775","0.001","90","","90","","90","","1581.01","0.15","250","","250","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Br O3 -","- C15 H21 Br O3 -","- C60 H84 Br4 O12 -","4","1","","Chan, Hau Sun Sam; Thompson, Amber L.; Christensen, Kirsten E.; Burton, Jonathan W.","Forwards and backwards ‒ synthesis of Laurencia natural products using a biomimetic and retrobiomimetic strategy incorporating structural reassignment of laurefurenynes C‒F","Chemical Science","2020","","","","","10.1039/D0SC04120C","","","1.54184","CuKα","","0.0592","0.0431","","0.1267","0.103","0.1267","","","","","","1.0121","","","","has coordinates,has disorder","258262","2020-10-21","18:00:00",""
"1559307","5.9422","0.0002","7.602","0.0002","14.7513","0.0004","90","","101.005","0.002","90","","654.1","0.03","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H22 O4 -","- C13 H22 O4 -","- C26 H44 O8 -","2","1","","Chan, Hau Sun Sam; Thompson, Amber L.; Christensen, Kirsten E.; Burton, Jonathan W.","Forwards and backwards ‒ synthesis of Laurencia natural products using a biomimetic and retrobiomimetic strategy incorporating structural reassignment of laurefurenynes C‒F","Chemical Science","2020","","","","","10.1039/D0SC04120C","","","1.54184","CuKα","","0.0586","0.0575","","0.1537","0.1495","0.1537","","","","","","1.0015","","","","has coordinates,has disorder","258262","2020-10-21","18:00:00",""
"1559308","17.7851","0.0005","17.7697","0.0005","22.5973","0.0006","90","","105.588","0.001","90","","6878.9","0.3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ZJY393","","","- C66 H92 B N9 O9 Zn -","- C66 H92 B N9 O9 Zn -","- C264 H368 B4 N36 O36 Zn4 -","4","1","","Kirk, Martin L.; Dangi, Ranjana; Habel-Rodriguez, Diana; Yang, Jing; Shultz, David A.; Zhang, Jinyuan","Transferrable property relationships between magnetic exchange coupling and molecular conductance","Chemical Science","2020","","","","","10.1039/D0SC04350H","","","0.71073","MoKα","","0.0565","0.0483","","","0.1384","0.1468","","","","","","1.033","","","","has coordinates","258263","2020-10-21","18:00:00",""
"1559309","17.5685","0.0015","17.859","0.0015","22.7631","0.0018","90","","105.077","0.003","90","","6896.2","1","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","PyN","","","- C73 H100 B N9 O4 Zn -","- C73 H100 B N9 O4 Zn -","- C292 H400 B4 N36 O16 Zn4 -","4","1","","Kirk, Martin L.; Dangi, Ranjana; Habel-Rodriguez, Diana; Yang, Jing; Shultz, David A.; Zhang, Jinyuan","Transferrable property relationships between magnetic exchange coupling and molecular conductance","Chemical Science","2020","","","","","10.1039/D0SC04350H","","","0.71073","MoKα","","0.1103","0.0701","","","0.1581","0.1797","","","","","","1.053","","","","has coordinates","258263","2020-10-21","18:00:00",""
"1559310","10.5956","0.0004","11.0155","0.0004","17.0375","0.0006","90","","90","","90","","1988.55","0.13","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O7 -","- C20 H30 O7 -","- C80 H120 O28 -","4","1","","Zhu, Li; Liu, Xiao-Qin; Lin, Yao-Lan; Wang, Wen-Li; Luo, Jian-Guang; Kong, Ling-Yi","Cytotoxic Germacranolides from the Whole Plant of Carpesium minus","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00428","","","1.54178","CuKα","","0.0378","0.0362","","","0.0892","0.0909","","","","","","1.045","","","","has coordinates","258273","2020-10-21","18:00:00",""
"1559311","10.3067","0.0002","10.8729","0.0002","17.3336","0.0004","90","","90","","90","","1942.47","0.07","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O7 -","- C20 H30 O7 -","- C80 H120 O28 -","4","1","","Zhu, Li; Liu, Xiao-Qin; Lin, Yao-Lan; Wang, Wen-Li; Luo, Jian-Guang; Kong, Ling-Yi","Cytotoxic Germacranolides from the Whole Plant of Carpesium minus","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00428","","","1.54178","CuKα","","0.0312","0.0303","","","0.0759","0.0767","","","","","","1.056","","","","has coordinates","258274","2020-10-21","18:00:00",""
"1559312","9.4133","0.0002","12.7259","0.0003","16.595","0.0004","90","","90","","90","","1987.96","0.08","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O6 -","- C20 H30 O6 -","- C80 H120 O24 -","4","1","","Zhu, Li; Liu, Xiao-Qin; Lin, Yao-Lan; Wang, Wen-Li; Luo, Jian-Guang; Kong, Ling-Yi","Cytotoxic Germacranolides from the Whole Plant of Carpesium minus","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00428","","","1.54184","CuKα","","0.0575","0.056","","","0.1422","0.1437","","","","","","1.023","","","","has coordinates","258275","2020-10-21","18:00:00",""
"1559313","10.2716","0.0002","12.1391","0.0002","17.1059","0.0003","90","","90","","90","","2132.9","0.07","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O7 -","- C20 H28 O7 -","- C80 H112 O28 -","4","1","","Zhu, Li; Liu, Xiao-Qin; Lin, Yao-Lan; Wang, Wen-Li; Luo, Jian-Guang; Kong, Ling-Yi","Cytotoxic Germacranolides from the Whole Plant of Carpesium minus","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00428","","","1.54184","CuKα","","0.0534","0.0517","","","0.1315","0.1338","","","","","","1.067","","","","has coordinates","258276","2020-10-21","18:00:00",""
"1559314","22.292","0.005","14.181","0.005","22.91","0.005","90","0.005","117.461","0.005","90","0.005","6426","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[(BDI)Nb(NtBu)(μ-S)]2","bis(μ2-sulfido)-bis(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-diniobium(V)","","- C66 H100 N6 Nb2 S2 -","- C66 H100 N6 Nb2 S2 -","- C264 H400 N24 Nb8 S8 -","4","0.5","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71069","MoKα","","0.0244","0.0228","","","0.0586","0.0598","","","","","","1.045","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559315","11.6646","0.0008","12.6365","0.0007","17.2467","0.001","81.664","0.002","85.819","0.003","68.744","0.002","2343.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(BDI)Nb(NAr)(O)(DMAP)","(2,6-diisopropylphenyl)imino-oxido-4-dimethylaminopyridine-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V) benzene solvate","","- C51 H71 N5 Nb O -","- C51 H71 N5 Nb O -","- C102 H142 N10 Nb2 O2 -","2","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0312","0.0288","","","0.0716","0.0732","","","","","","1.065","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559316","18.1386","0.0006","13.7454","0.0005","19.8912","0.0007","90","","106.288","0.001","90","","4760.3","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","(BDI)Nb(NAr)(N(tBu)CO2)","(N-tert-butylcarbamidato-N,O)-(2,6-diisopropylphenyl)imino-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V) diethyl ether solvate","","- C50 H77 N4 Nb O3 -","- C50 H77 N4 Nb O3 -","- C200 H308 N16 Nb4 O12 -","4","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0347","0.0325","","","0.077","0.0784","","","","","","1.048","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559317","13.322","0.005","12.754","0.005","21.266","0.005","90","0.005","91.766","0.005","90","0.005","3612","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(BDI)NbH(NHtBu)(NtBu)","hydrido-(tert-butyl)amino-(tert-butyl)imino-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V)","","- C37 H61 N4 Nb -","- C37 H61 N4 Nb -","- C148 H244 N16 Nb4 -","4","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0694","0.066","","","0.1485","0.15","","","","","","1.09","","","","has coordinates,has disorder","258285","2020-10-21","18:00:00",""
"1559318","10.6503","0.0007","24.6381","0.0015","16.5787","0.0011","90","","97.111","0.003","90","","4316.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(BDI)Nb(OC(H)O)(N[SiH2nBu]tBu)(NtBu)","Formato-(N-(tert-butyl)-1-phenylsilyl)amino-(tert-butyl)imino-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V)","","- C42 H71 N4 Nb O2 Si -","- C42 H71 N4 Nb O2 Si -","- C168 H284 N16 Nb4 O8 Si4 -","4","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0396","0.0336","","","0.0948","0.0995","","","","","","1.119","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559319","12.535","0.0005","17.446","0.0008","20.5667","0.0008","90","","96.552","0.002","90","","4468.3","0.3","100","2","99.99","","","","","","","","","6","P 1 n 1","P -2yac","7","(BDI)Nb(OC(H)O)(N[BO2C6H12]tBu)(NtBu)","Formato-(N-(tert-butyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-amino)-(tert-butyl)imino-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V)","","- C44 H72 B N4 Nb O4 -","- C44 H72 B N4 Nb O4 -","- C176 H288 B4 N16 Nb4 O16 -","4","2","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0519","0.0384","","","0.0778","0.0847","","","","","","1.031","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559320","19.517","0.002","18.7959","0.0018","22.58","0.003","90","","90","","90","","8283.2","1.6","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","(BDI)Nb(NtBu)(NHtBu)(CCtBu)","(3,3-diemethylbut-1-ynylyl)-(tert-butyl)amino-(tert-butyl)imino-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V)","","- C43 H69 N4 Nb -","- C43 H69 N4 Nb -","- C344 H552 N32 Nb8 -","8","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0559","0.0447","","","0.0918","0.097","","","","","","1.051","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559321","17.1406","0.0016","25.1","0.003","22.772","0.003","90","","111.348","0.005","90","","9125","1.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(BDI)Nb(NtBu)(μ-O2CN(tBu)CO2)]2","bis(μ2-(tert-butyl)iminodicarboxylato)-bis(tert-butyl)imino-bis(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-diniobium(V) toluene solvate","","- C85 H126 N8 Nb2 O8 -","- C85 H126 N8 Nb2 O8 -","- C340 H504 N32 Nb8 O32 -","4","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0901","0.0494","","","0.1038","0.1179","","","","","","1.022","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559322","9.897","0.002","11.357","0.002","21.303","0.004","90.045","0.006","101.926","0.005","113.572","0.006","2138","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","(BDI)NbH(N[BO2C6H12]tBu)(NtBu)","hydrido-(N-(tert-butyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-amino)-(tert-butyl)imino-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V)","","- C43 H72 B N4 Nb O2 -","- C43 H72 B N4 Nb O2 -","- C86 H144 B2 N8 Nb2 O4 -","2","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0845","0.0758","","","0.2054","0.219","","","","","","1.052","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559323","10.6684","0.0003","12.8523","0.0004","21.1721","0.0007","101.451","0.002","103.695","0.001","103.1","0.001","2647.7","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(BDI)NbH(N[SiH2Ph]tBu)(NtBu)","hydrido-(N-(tert-butyl)-1-phenylsilyl)amino-(tert-butyl)imino-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V) hexamethyldisiloxane solvate","","- C49 H85 N4 Nb O Si3 -","- C49 H85 N4 Nb O Si3 -","- C98 H170 N8 Nb2 O2 Si6 -","2","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0771","0.0476","","","0.088","0.0995","","","","","","1.026","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559324","22.2228","0.0019","24.338","0.002","24.561","0.002","90","","91.576","0.003","90","","13279","1.9","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(BDI)Nb(NAr)(N(tBu)CO2B(C6F5)3)","(tris(pentafluorophenyl)borate-N-tert-butylcarbamidato-N,O)-(2,6-diisopropylphenyl)imino-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V) diethyl ether solvate","","- C68 H77 B F15 N4 Nb O3 -","- C68 H77 B F15 N4 Nb O3 -","- C544 H616 B8 F120 N32 Nb8 O24 -","8","2","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.1239","0.0688","","","0.1694","0.1923","","","","","","0.969","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559325","13.3294","0.0012","15.6578","0.0014","24.934","0.002","76.581","0.004","81.666","0.004","83.559","0.004","4991.7","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","[(BDI)Nb(NAr)(μ-CO3)]2","bis(μ2-carbonato-O,O?:O??)-bis(2,6-diisopropylphenyl)imino-bis(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-diniobium(V) hexamethydisiloxane solvate","","- C96 H152 N6 Nb2 O8 Si4 -","- C96 H152 N6 Nb2 O8 Si4 -","- C192 H304 N12 Nb4 O16 Si8 -","2","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0849","0.0603","","","0.1587","0.1698","","","","","","1.002","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1559326","12.629","0.002","21.336","0.004","19.715","0.004","90","","92.431","0.004","90","","5307.5","1.7","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(BDI)Nb(OCHNtBu)(O[SiMe2Ph])(NAr)","(2,6-diisopropylphenyl)imino-(tert-butyliminomethoxy)-dimethylphenylsilanolato-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V)","","- C54 H79 N4 Nb O2 Si -","- C54 H79 N4 Nb O2 Si -","- C216 H316 N16 Nb4 O8 Si4 -","4","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0576","0.0453","","","0.1023","0.1082","","","","","","1.043","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559327","13.4066","0.0004","13.5108","0.0004","14.4569","0.0004","101.715","0.001","96.702","0.002","90.848","0.002","2544.57","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","(κ1-BDI)Nb(NtBu)(NHtBu)(SCPh3)","(tert-butyl)amino-(tert-butyl)imino-(triphenylmethylthiolato)-(N-(4-((2,6-diisopropylphenyl)imino)pent-2-en-2-yl)-2,6-diisopropylanilido)-niobium(V)","","- C56 H75 N4 Nb S -","- C56 H75 N4 Nb S -","- C112 H150 N8 Nb2 S2 -","2","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0416","0.0329","","","0.0753","0.0799","","","","","","1.055","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559328","24.1485","0.0011","15.8759","0.0007","24.2007","0.0011","90","","101.813","0.002","90","","9081.5","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(BDI)Nb(NAr)(N(tBu)C(CPh2)O)","(N-tert-butylamino-2,2-diphenylethenolato-N,O)-(2,6-diisopropylphenyl)imino-(tert-butyl)imino-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V)","","- C51 H69 N4 Nb O -","- C51 H69 N4 Nb O -","- C408 H552 N32 Nb8 O8 -","8","2","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0531","0.0395","","","0.1044","0.1145","","","","","","1.052","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559329","17.6394","0.0012","20.8107","0.0013","25.0878","0.0015","90","","100.667","0.001","90","","9050.3","1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(κ1-BDI)Nb(Py)(NAr)-(μ-O)2-(NAr)Nb(BDI)","bis(μ2-oxido)-bis(2,6-diisopropylphenyl)imino-(N-(4-((2,6-diisopropylphenyl)imino)pent-2-en-2-yl)-2,6-diisopropylanilido)-pyridine-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-diniobium(V) diethyl ether solvate","","- C91 H131 N7 Nb2 O3 -","- C91 H131 N7 Nb2 O3 -","- C364 H524 N28 Nb8 O12 -","4","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0639","0.0445","","","0.113","0.1237","","","","","","1.069","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559330","21.1222","0.0009","15.1915","0.0007","13.8822","0.0006","90","","99.791","0.001","90","","4389.6","0.3","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 Cl4 N8 O12 Re4 S4 -","- C30 H16 Cl4 N8 O12 Re4 S4 -","- C120 H64 Cl16 N32 O48 Re16 S16 -","4","1","","Amemiya, Erika; Loo, Aaron; Shlian, Daniel G.; Parkin, Gerard","Rhenium versus cadmium: an alternative structure for a thermally stable cadmium carbonyl compound","Chemical Science","2020","","","","","10.1039/D0SC04596A","","","0.71073","MoKα","","0.056","0.0343","","","0.0673","0.0762","","","","","","1.014","","","","has coordinates,has disorder","258286","2020-10-21","18:00:00",""
"1559331","21.1224","0.0009","15.1913","0.0007","13.8819","0.0006","90","","99.7881","0.0007","90","","4389.5","0.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H16 Cd4 Cl8 O12 -","- C38 H16 Cd4 Cl8 O12 -","- C152 H64 Cd16 Cl32 O48 -","4","1","","Amemiya, Erika; Loo, Aaron; Shlian, Daniel G.; Parkin, Gerard","Rhenium versus cadmium: an alternative structure for a thermally stable cadmium carbonyl compound","Chemical Science","2020","","","","","10.1039/D0SC04596A","","","0.71073","MoKα","","0.0902","0.0678","","","0.1947","0.2167","","","","","","1.028","","","","has coordinates,has disorder","258286","2020-10-21","18:00:00",""
"1559332","7.413","0.0008","9.2858","0.0007","10.1238","0.001","90","","102.841","0.01","90","","679.45","0.12","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pyridine-4-carboxamidoxime <i>N</i>-oxide","(<i>Z</i>)-4-(<i>N</i>'-Hydroxycarbamimidoyl)pyridine <i>N</i>-oxide","","- C6 H7 N3 O2 -","- C6 H7 N3 O2 -","- C24 H28 N12 O8 -","4","1","BH4056","Padgett, Clifford W.; Sheriff, Kirkland; Lynch, Will E.","Pyridine-4-carboxamidoxime <i>N</i>-oxide","IUCrData","2020","5","10","x201335","","10.1107/S2414314620013358","","x-ray","0.71073","MoKα","","0.0553","0.0392","","","0.0922","0.1009","","","","","","1.042","","","","has coordinates,has Fobs","258303","2020-10-21","18:00:00",""
"1559333","24.7018","0.0006","6.3093","0.0001","13.2103","0.0003","90","","118.05","0.0008","90","","1817.01","0.07","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(Dimethylamino)benzohydrazide","","- C9 H13 N3 O -","- C9 H13 N3 O -","- C72 H104 N24 O8 -","8","1","HB4366","Kelley, Steven P.; Mossine, Valeri V.; Mawhinney, Thomas P.","4-(Dimethylamino)benzohydrazide","IUCrData","2020","5","10","x201310","","10.1107/S2414314620013103","","","1.54178","CuKα","","0.0365","0.0363","","","0.098","0.0982","","","","","","1.067","","","","has coordinates,has Fobs","258304","2020-10-21","18:00:00",""
"1559334","19.8956","0.0001","18.1458","0.0002","19.4211","0.0001","90","","91.388","0.001","90","","7009.38","0.09","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H63 B F24 N2 -","- C78 H63 B F24 N2 -","- C312 H252 B4 F96 N8 -","4","0.5","","Bot, Marek; Gorbachev, Vladimir M.; Tsybizova, Alexandra; Chen, Peter","Bond Dissociation Energies in the Gas Phase for Large Molecular Ions by Threshold Collision-Induced Dissociation Experiments: a Benchmarking Study.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.0c05712","","x-ray","1.54184","CuKα","","0.0397","0.0366","","","0.0987","0.101","","","","","","1.061","","","","has coordinates,has disorder","258318","2020-10-21","18:00:00",""
"1559335","9.8142","0.0004","9.8142","0.0004","54.0271","0.0012","90","","90","","90","","5203.8","0.3","120","","120","","","","","","","","","5","P 43","P 4cw","78","","","","- C59 H77 N2 Na O7 -","- C59 H77 N2 Na O7 -","- C236 H308 N8 Na4 O28 -","4","1","","Gruszka, Weronika; Lykkeberg, Anna; Nichol, Gary S.; Shaver, Michael P.; Buchard, Antoine; Garden, Jennifer A.","Combining alkali metals and zinc to harness heterometallic cooperativity in cyclic ester ring-opening polymerisation","Chemical Science","2020","","","","","10.1039/D0SC04705H","","x-ray","1.54184","CuKα","","0.0928","0.069","","","0.1656","0.176","","","","","","0.972","","","","has coordinates","258319","2020-10-21","18:00:00",""
"1559336","11.614","0.002","11.913","0.002","14.995","0.003","90.34","0.03","100.67","0.03","114.2","0.03","1851.9","0.8","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H33 Fe2 N3 O12 S2 -","- C33 H33 Fe2 N3 O12 S2 -","- C66 H66 Fe4 N6 O24 S4 -","2","1","","Meunier, Antoine; Singleton, Michael; Kauffmann, Brice; Granier, Thierry; Lautrette, Guillaume; Ferrand, Yann; Huc, Ivan","Aromatic foldamers as scaffolds for metal second coordination sphere design","Chemical Science","2020","","","","","10.1039/D0SC05143H","","","0.8","synchrotron","","0.0618","0.0575","","","0.1508","0.155","","","","","","1.038","","","","has coordinates,has disorder","258320","2020-10-21","18:00:00",""
"1559337","42.379","0.009","22.277","0.005","31.801","0.006","90","","98.36","0.03","90","","29704","11","130","2","130","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","q3pn2afe","","- C107 H105 Cl9 Fe2 N19 O23 S2 -","- C107 H105 Cl9 Fe2 N19 O23 S2 -","- C856 H840 Cl72 Fe16 N152 O184 S16 -","8","1","","Meunier, Antoine; Singleton, Michael; Kauffmann, Brice; Granier, Thierry; Lautrette, Guillaume; Ferrand, Yann; Huc, Ivan","Aromatic foldamers as scaffolds for metal second coordination sphere design","Chemical Science","2020","","","","","10.1039/D0SC05143H","","","1.54178","CuKα","","0.1747","0.1284","","","0.3409","0.3765","","","","","","1.132","","","","has coordinates","258320","2020-10-21","18:00:00",""
"1559338","17.496","0.004","21.656","0.004","33.846","0.007","97.71","0.03","104.52","0.03","97.62","0.03","12116","5","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C195 H198 Cl Fe2 N30 O35 S2 -","- C195 H198 Cl Fe2 N30 O35 S2 -","- C390 H396 Cl2 Fe4 N60 O70 S4 -","2","1","","Meunier, Antoine; Singleton, Michael; Kauffmann, Brice; Granier, Thierry; Lautrette, Guillaume; Ferrand, Yann; Huc, Ivan","Aromatic foldamers as scaffolds for metal second coordination sphere design","Chemical Science","2020","","","","","10.1039/D0SC05143H","","","1.54178","CuKα","","0.1555","0.089","","","0.2277","0.2566","","","","","","0.873","","","","has coordinates","258320","2020-10-21","18:00:00",""
"1559339","17.679","0.004","22.049","0.004","25.574","0.005","72.8","0.03","73.1","0.03","79.74","0.03","9065","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C148 H150 Cl3 Fe2 N24 O29 S2 -","- C148 H150 Cl3 Fe2 N24 O29 S2 -","- C296 H300 Cl6 Fe4 N48 O58 S4 -","2","1","","Meunier, Antoine; Singleton, Michael; Kauffmann, Brice; Granier, Thierry; Lautrette, Guillaume; Ferrand, Yann; Huc, Ivan","Aromatic foldamers as scaffolds for metal second coordination sphere design","Chemical Science","2020","","","","","10.1039/D0SC05143H","","","0.81","synchrotron","","0.1384","0.1129","","","0.3401","0.3608","","","","","","1.367","","","","has coordinates,has disorder","258320","2020-10-21","18:00:00",""
"1559340","26.6118","0.0013","29.0835","0.0013","36.1175","0.0012","83.259","0.003","82.984","0.003","68.182","0.004","25678","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C200 H206 Cl6 Fe2 N30 O37 S2 -","- C200 H206 Cl6 Fe2 N30 O37 S2 -","- C800 H824 Cl24 Fe8 N120 O148 S8 -","4","2","","Meunier, Antoine; Singleton, Michael; Kauffmann, Brice; Granier, Thierry; Lautrette, Guillaume; Ferrand, Yann; Huc, Ivan","Aromatic foldamers as scaffolds for metal second coordination sphere design","Chemical Science","2020","","","","","10.1039/D0SC05143H","","","1.54178","CuKα","","0.2194","0.117","","","0.226","0.2564","","","","","","1.088","","","","has coordinates","258320","2020-10-21","18:00:00",""
"1559341","9.2468","0.0004","15.2962","0.0005","6.6028","0.0002","90","","95.037","0.001","90","","930.3","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","1","","Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Bagrov, Vladimir V.; Tavtorkin, Alexander N.; Komarov, Pavel D.; Churakov, Andrei V.; Ivchenko, Pavel V.","Substituted glycolides from natural sources: preparation, alcoholysis and polymerization","Polymer Chemistry","2020","11","43","6890","6902","10.1039/D0PY01297A","","","0.71073","MoKα","","0.0497","0.0408","","","0.0889","0.0932","","","","","","1.061","","","","has coordinates","259627","2020-12-06","14:54:29",""
"1559342","4.9504","0.0007","18.053","0.002","19.902","0.003","90","","92.566","0.003","90","","1776.8","0.4","295.68","","295.68","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 N2 -","- C25 H18 N2 -","- C100 H72 N8 -","4","1","","Jiang, He; Tao, Ye; Jin, Jibiao; Dai, Yizhong; Xian, Lijie; Wang, Jun; Wang, Shuang; Chen, Runfeng; Zheng, Chao; Huang, Wei","Resonance-driven dynamically bipolar organic semiconductors for high-performance optoelectronic applications","Materials Horizons","2020","7","12","3298","3304","10.1039/D0MH01252A","","","0.71073","MoKα","","0.068","0.0518","","","0.1166","0.1296","","","","","","1.096","","","","has coordinates","260829","2021-01-07","07:16:39",""
"1559343","16.125","0.012","5.437","0.004","22.259","0.017","90","","110.185","0.015","90","","1832","2","299","2","298.95","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 N2 O -","- C25 H16 N2 O -","- C100 H64 N8 O4 -","4","1","","Jiang, He; Tao, Ye; Jin, Jibiao; Dai, Yizhong; Xian, Lijie; Wang, Jun; Wang, Shuang; Chen, Runfeng; Zheng, Chao; Huang, Wei","Resonance-driven dynamically bipolar organic semiconductors for high-performance optoelectronic applications","Materials Horizons","2020","7","12","3298","3304","10.1039/D0MH01252A","","","0.71073","MoKα","","0.1459","0.0903","","","0.2255","0.2675","","","","","","1.05","","","","has coordinates","260829","2021-01-07","07:16:39",""
"1559346","13.4349","0.0007","10.9885","0.0006","16.24","0.0008","90","","99.696","0.002","90","","2363.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Cl N2 O Pt -","- C27 H27 Cl N2 O Pt -","- C108 H108 Cl4 N8 O4 Pt4 -","4","1","","Poveda, Dionisio; Vivancos, Angela; Bautista, Delia; González-Herrero, Pablo","Visible light driven generation and alkyne insertion reactions of stable bis-cyclometalated Pt(IV) hydrides","Chemical Science","2020","","","","","10.1039/D0SC04879H","","","0.71073","MoKα","","0.0136","0.0119","","","0.0283","0.0288","","","","","","1.084","","","","has coordinates","258351","2020-10-21","18:00:00",""
"1559347","10.2035","0.0013","11.6074","0.0013","11.9285","0.0014","66.77","0.004","69.911","0.004","86.434","0.004","1214.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Cl F2 N2 Pt -","- C30 H23 Cl F2 N2 Pt -","- C60 H46 Cl2 F4 N4 Pt2 -","2","1","","Poveda, Dionisio; Vivancos, Angela; Bautista, Delia; González-Herrero, Pablo","Visible light driven generation and alkyne insertion reactions of stable bis-cyclometalated Pt(IV) hydrides","Chemical Science","2020","","","","","10.1039/D0SC04879H","","","0.71073","MoKα","","0.0236","0.02","","","0.0461","0.0477","","","","","","1.062","","","","has coordinates","258351","2020-10-21","18:00:00",""
"1559348","15.86","0.0007","15.199","0.0007","11.1926","0.0005","90","","94.632","0.002","90","","2689.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Cl N2 O4 Pt -","- C30 H27 Cl N2 O4 Pt -","- C120 H108 Cl4 N8 O16 Pt4 -","4","1","","Poveda, Dionisio; Vivancos, Angela; Bautista, Delia; González-Herrero, Pablo","Visible light driven generation and alkyne insertion reactions of stable bis-cyclometalated Pt(IV) hydrides","Chemical Science","2020","","","","","10.1039/D0SC04879H","","","0.71073","MoKα","","0.0239","0.0202","","","0.0476","0.0489","","","","","","1.047","","","","has coordinates,has disorder","258351","2020-10-21","18:00:00",""
"1559349","11.991","0.006","16.041","0.008","13.873","0.007","90","","106.484","0.018","90","","2559","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 Cl N2 Pt -","- C32 H27 Cl N2 Pt -","- C128 H108 Cl4 N8 Pt4 -","4","1","","Poveda, Dionisio; Vivancos, Angela; Bautista, Delia; González-Herrero, Pablo","Visible light driven generation and alkyne insertion reactions of stable bis-cyclometalated Pt(IV) hydrides","Chemical Science","2020","","","","","10.1039/D0SC04879H","","","0.71073","MoKα","","0.015","0.0133","","","0.0313","0.0318","","","","","","1.085","","","","has coordinates","258351","2020-10-21","18:00:00",""
"1559350","13.989","0.003","14.57","0.003","14.971","0.003","66.227","0.006","63.842","0.006","67.391","0.006","2425.8","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H49 B Cl3 N3 Pt -","- C57 H49 B Cl3 N3 Pt -","- C114 H98 B2 Cl6 N6 Pt2 -","2","1","","Poveda, Dionisio; Vivancos, Angela; Bautista, Delia; González-Herrero, Pablo","Visible light driven generation and alkyne insertion reactions of stable bis-cyclometalated Pt(IV) hydrides","Chemical Science","2020","","","","","10.1039/D0SC04879H","","","0.71073","MoKα","","0.0214","0.0202","","","0.051","0.0516","","","","","","1.065","","","","has coordinates","258351","2020-10-21","18:00:00",""
"1559351","16.5931","0.0012","10.5622","0.0008","15.6839","0.0012","90","","91.297","0.003","90","","2748.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Cl3 N2 O2 Pt -","- C29 H27 Cl3 N2 O2 Pt -","- C116 H108 Cl12 N8 O8 Pt4 -","4","1","","Poveda, Dionisio; Vivancos, Angela; Bautista, Delia; González-Herrero, Pablo","Visible light driven generation and alkyne insertion reactions of stable bis-cyclometalated Pt(IV) hydrides","Chemical Science","2020","","","","","10.1039/D0SC04879H","","","0.71073","MoKα","","0.0379","0.0263","","","0.0581","0.0622","","","","","","1.046","","","","has coordinates,has disorder","258351","2020-10-21","18:00:00",""
"1559352","11.728","0.0015","14.9916","0.0019","16.163","0.002","90","","102.038","0.004","90","","2779.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 Cl3 F2 N2 Pt -","- C31 H25 Cl3 F2 N2 Pt -","- C124 H100 Cl12 F8 N8 Pt4 -","4","1","","Poveda, Dionisio; Vivancos, Angela; Bautista, Delia; González-Herrero, Pablo","Visible light driven generation and alkyne insertion reactions of stable bis-cyclometalated Pt(IV) hydrides","Chemical Science","2020","","","","","10.1039/D0SC04879H","","","0.71073","MoKα","","0.0194","0.0167","","","0.0422","0.0432","","","","","","1.003","","","","has coordinates","258351","2020-10-21","18:00:00",""
"1559353","11.8828","0.0007","16.0961","0.0009","13.7671","0.0007","90","","106.456","0.002","90","","2525.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 Cl N2 Pt -","- C32 H27 Cl N2 Pt -","- C128 H108 Cl4 N8 Pt4 -","4","1","","Poveda, Dionisio; Vivancos, Angela; Bautista, Delia; González-Herrero, Pablo","Visible light driven generation and alkyne insertion reactions of stable bis-cyclometalated Pt(IV) hydrides","Chemical Science","2020","","","","","10.1039/D0SC04879H","","","0.71073","MoKα","","0.0232","0.0182","","","0.0408","0.0422","","","","","","1.056","","","","has coordinates","258351","2020-10-21","18:00:00",""
"1559354","12.1001","0.0019","13.3139","0.0018","13.4869","0.0012","62.471","0.009","63.694","0.007","87.388","0.011","1692.2","0.4","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","(4'-Chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(nitrato-κ<i>O</i>)zinc(II)","","- C15 H10 Cl N5 O6 Zn -","- C15 H10 Cl N5 O6 Zn -","- C60 H40 Cl4 N20 O24 Zn4 -","4","2","","Adrian, Rafael A.; Canales, Daniela; Arman, Hadi D.","(4'-Chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(nitrato-κ<i>O</i>)zinc(II)","IUCrData","2020","5","10","x201344","","10.1107/S2414314620013449","","","0.71073","MoKα","","0.0481","0.0427","","","0.104","0.1092","","","","","","1.014","","","","has coordinates,has Fobs","258363","2020-10-21","18:00:00",""
"1559355","21.4965","0.0013","8.105","0.0004","24.4598","0.0014","90","","107.47","0.002","90","","4065","0.4","100","2","99.69","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 N16 O20 S2 -","- C30 H32 N16 O20 S2 -","- C120 H128 N64 O80 S8 -","4","0.5","","Paul, Suparna; Das, Riyanka; Seth, Madhupa; Hirani, Harish; Murmu, Naresh Chandra; Banerjee, Priyabrata","A Urea-Functionalized Chemoreceptor for Expeditious Chromogenic Recognition of Toxic Industrial Pollutants Cu2+ and CN‒ from Real Water Sources and Biofluids: Diagnosis of Wilson’s disease from Human Urine","Industrial & Engineering Chemistry Research","2020","","","","","10.1021/acs.iecr.0c02695","","","0.71073","MoKα","","0.0709","0.0535","","","0.1249","0.1394","","","","","","1.029","","","","has coordinates,has disorder","258387","2020-10-21","18:00:00",""
"1559356","5.6906","0.0002","7.5658","0.0003","30.679","0.003","90","","90","","90","","1320.85","0.15","108.2","0.1","108.2","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O8 -","- C12 H18 O8 -","- C48 H72 O32 -","4","1","","Wang, Hai-Qiang; Ma, Shuang-Gang; Lin, Ming-Bao; Hou, Qi; Ma, Min; Yu, Shi-Shan","Hydroxylated Ethacrylic and Tiglic Acid Derivatives from the Stems and Branches of <i>Enkianthus chinensis</i> and Their Potential Anti-inflammatory Activities.","Journal of natural products","2020","83","10","2867","2876","10.1021/acs.jnatprod.0c00286","","x-ray","1.54184","CuKα","","0.0354","0.0332","","","0.0836","0.0855","","","","","","1.052","","","","has coordinates","258713","2020-11-04","01:27:40",""
"1559357","7.8647","0.0005","9.2285","0.0004","36.996","0.003","90","","90","","90","","2685.1","0.3","108.35","0.1","108.35","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O8 -","- C12 H18 O8 -","- C96 H144 O64 -","8","2","","Wang, Hai-Qiang; Ma, Shuang-Gang; Lin, Ming-Bao; Hou, Qi; Ma, Min; Yu, Shi-Shan","Hydroxylated Ethacrylic and Tiglic Acid Derivatives from the Stems and Branches of <i>Enkianthus chinensis</i> and Their Potential Anti-inflammatory Activities.","Journal of natural products","2020","83","10","2867","2876","10.1021/acs.jnatprod.0c00286","","x-ray","1.54184","CuKα","","0.0466","0.0434","","","0.1105","0.1131","","","","","","1.101","","","","has coordinates","258713","2020-11-04","01:27:41",""
"1559358","14.5132","0.0006","21.9543","0.0009","12.9943","0.0006","90","","94.23","0.004","90","","4129.1","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H40 Cl2 O2 -","- C55 H40 Cl2 O2 -","- C220 H160 Cl8 O8 -","4","1","","Mamada, Masashi; Nakamura, Ryota; Adachi, Chihaya","Synthesis, crystal structure and charge transport characteristics of stable <i>peri</i>-tetracene analogues.","Chemical science","2020","12","2","552","558","10.1039/d0sc04699j","","x-ray","0.71073","MoKα","","0.069","0.048","","","0.1278","0.1397","","","","","","1.063","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1559359","11.6467","0.0003","13.896","0.0004","16.8565","0.0004","92.613","0.002","102.408","0.002","104.007","0.002","2571.41","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C65 H58 Cl2 Si2 -","- C65 H58 Cl2 Si2 -","- C130 H116 Cl4 Si4 -","2","1","","Mamada, Masashi; Nakamura, Ryota; Adachi, Chihaya","Synthesis, crystal structure and charge transport characteristics of stable <i>peri</i>-tetracene analogues.","Chemical science","2020","12","2","552","558","10.1039/d0sc04699j","","x-ray","0.71073","MoKα","","0.0568","0.0464","","","0.1257","0.1329","","","","","","1.064","","","","has coordinates","267074","2021-07-05","16:51:36",""
"1559364","7.7352","0.0018","10.022","0.002","10.902","0.003","75.534","0.004","83.91","0.004","71.785","0.003","777","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H17 N3 -","- C20 H17 N3 -","- C40 H34 N6 -","2","1","","Yu, Tian-Yang; Xu, Wenhua; Lu, Hong; Wei, Hao","Cobalt-Catalyzed Intramolecular Decarbonylative Coupling of Acylindoles and Diarylketones through the Cleavage of C−C Bonds","Chemical Science","2020","","","","","10.1039/D0SC04326E","","","0.71073","MoKα","","0.0515","0.0417","","","0.1342","0.145","","","","","","0.867","","","","has coordinates","258435","2020-10-21","18:00:00",""
"1559365","19.212","0.0005","15.4949","0.0005","20.0978","0.0005","90","","90","","90","","5982.9","0.3","170","2","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H25 F6 N3 O8 -","- C30 H25 F6 N3 O8 -","- C240 H200 F48 N24 O64 -","8","1","","Chen, Chao; Shi, Chen; Yang, Yaxi; Zhou, Bing","Rh(iii)-catalyzed tandem annulative redox-neutral arylation/amidation of aromatic tethered alkenes","Chemical Science","2020","","","","","10.1039/D0SC04007J","","","0.71073","MoKα","","0.093","0.0561","","","0.1358","0.1645","","","","","","1.029","","","","has coordinates,has disorder","258436","2020-10-21","18:00:00",""
"1559366","9.7686","0.0007","14.2286","0.001","15.2461","0.0011","65.847","0.002","89.484","0.002","80.357","0.002","1902.1","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H26 N2 O5 -","- C19 H26 N2 O5 -","- C76 H104 N8 O20 -","4","2","","Chen, Chao; Shi, Chen; Yang, Yaxi; Zhou, Bing","Rh(iii)-catalyzed tandem annulative redox-neutral arylation/amidation of aromatic tethered alkenes","Chemical Science","2020","","","","","10.1039/D0SC04007J","","","0.71073","MoKα","","0.1282","0.071","","","0.1372","0.1623","","","","","","1.094","","","","has coordinates","258436","2020-10-21","18:00:00",""
"1559367","9.6092","0.0004","24.7359","0.001","9.7874","0.0004","90","","116.35","0.002","90","","2084.68","0.15","150","2","150","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 -","- C29 H24 -","- C116 H96 -","4","1","","Wang, Yidong; Zhu, Jin; Guo, Rui; Lindberg, Haley; Wang, Yiming","Iron-Catalyzed α-C‒H functionalization of π-Bonds: Cross-Dehydrogenative Coupling and Mechanistic Insights","Chemical Science","2020","","","","","10.1039/D0SC05091A","","","1.54178","CuKα","","0.0453","0.0366","","","0.1054","0.1116","","","","","","1.093","","","","has coordinates","258437","2020-10-21","18:00:00",""
"1559368","17.0265","0.001","14.1187","0.0008","8.989","0.0005","90","","118.511","0.002","90","","1898.82","0.19","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C88 H92 N4 O16 -","4","1","","Wang, Yidong; Zhu, Jin; Guo, Rui; Lindberg, Haley; Wang, Yiming","Iron-Catalyzed α-C‒H functionalization of π-Bonds: Cross-Dehydrogenative Coupling and Mechanistic Insights","Chemical Science","2020","","","","","10.1039/D0SC05091A","","","1.54178","CuKα","","0.0258","0.0257","","","0.0771","0.0773","","","","","","1.074","","","","has coordinates","258437","2020-10-21","18:00:00",""
"1559369","14.464","0.006","13","0.005","10.236","0.004","90","","97.227","0.01","90","","1909.4","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 O3 P -","- C24 H19 O3 P -","- C96 H76 O12 P4 -","4","1","","Ni, Qijian; Song, Xiaoxiao; Png, Chin Wen; Zhang, Yongliang; Zhao, Yu","Access to Substituted Cyclobutenes by Tandem [3,3]-Sigmatropic Rearrangement/[2+2] Cycloaddition of Dipropargylphosphonates under Ag/Co Relay Catalysis","Chemical Science","2020","","","","","10.1039/D0SC02972F","","","0.71073","MoKα","","0.0818","0.0548","","","0.1326","0.1457","","","","","","1.037","","","","has coordinates","258438","2020-10-21","18:00:00",""
"1559370","6.2565","0.001","9.4325","0.001","16.395","0.002","90","","96.178","0.004","90","","961.9","0.2","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C24 H21 O3 P -","- C24 H21 O3 P -","- C48 H42 O6 P2 -","2","1","","Ni, Qijian; Song, Xiaoxiao; Png, Chin Wen; Zhang, Yongliang; Zhao, Yu","Access to Substituted Cyclobutenes by Tandem [3,3]-Sigmatropic Rearrangement/[2+2] Cycloaddition of Dipropargylphosphonates under Ag/Co Relay Catalysis","Chemical Science","2020","","","","","10.1039/D0SC02972F","","","0.71073","MoKα","","0.0263","0.0252","","","0.0678","0.0685","","","","","","1.025","","","","has coordinates","258438","2020-10-21","18:00:00",""
"1559371","8.145","0.003","13.268","0.004","10.374","0.003","90","","108.85","0.01","90","","1061","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 O3 P -","- C12 H11 O3 P -","- C48 H44 O12 P4 -","4","1","","Ni, Qijian; Song, Xiaoxiao; Png, Chin Wen; Zhang, Yongliang; Zhao, Yu","Access to Substituted Cyclobutenes by Tandem [3,3]-Sigmatropic Rearrangement/[2+2] Cycloaddition of Dipropargylphosphonates under Ag/Co Relay Catalysis","Chemical Science","2020","","","","","10.1039/D0SC02972F","","","0.71073","MoKα","","0.0442","0.0344","","","0.0836","0.0886","","","","","","1.031","","","","has coordinates","258438","2020-10-21","18:00:00",""
"1559372","14.668","0.005","13.512","0.004","10.815","0.003","90","","92.316","0.009","90","","2141.7","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 O3 P -","- C26 H23 O3 P -","- C104 H92 O12 P4 -","4","1","","Ni, Qijian; Song, Xiaoxiao; Png, Chin Wen; Zhang, Yongliang; Zhao, Yu","Access to Substituted Cyclobutenes by Tandem [3,3]-Sigmatropic Rearrangement/[2+2] Cycloaddition of Dipropargylphosphonates under Ag/Co Relay Catalysis","Chemical Science","2020","","","","","10.1039/D0SC02972F","","","0.71073","MoKα","","0.0753","0.0456","","","0.0968","0.1073","","","","","","1.021","","","","has coordinates","258438","2020-10-21","18:00:00",""
"1559373","12.6855","0.001","11.4436","0.0009","15.6122","0.0011","90","","108.696","0.003","90","","2146.8","0.3","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 O2 P Si -","- C22 H25 O2 P Si -","- C88 H100 O8 P4 Si4 -","4","1","","Ni, Qijian; Song, Xiaoxiao; Png, Chin Wen; Zhang, Yongliang; Zhao, Yu","Access to Substituted Cyclobutenes by Tandem [3,3]-Sigmatropic Rearrangement/[2+2] Cycloaddition of Dipropargylphosphonates under Ag/Co Relay Catalysis","Chemical Science","2020","","","","","10.1039/D0SC02972F","","","0.71073","MoKα","","0.1005","0.0641","","","0.1556","0.1819","","","","","","1.014","","","","has coordinates,has disorder","258438","2020-10-21","18:00:00",""
"1559374","13.3351","0.0004","16.6987","0.0004","17.3392","0.0003","88.307","0.002","76.712","0.002","82.866","0.002","3728.61","0.16","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H68 Cl2 N4 O4 S2 -","- C68 H68 Cl2 N4 O4 S2 -","- C136 H136 Cl4 N8 O8 S4 -","2","1","","Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang","Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors","Energy & Environmental Science","2020","13","12","5028","5038","10.1039/D0EE02251A","","x-ray","1.54184","CuKα","","0.1041","0.0889","","","0.274","0.2882","","","","","","1.049","","","","has coordinates","260796","2021-01-07","06:40:51",""
"1559375","13.6375","0.0006","15.398","0.0005","19.4824","0.0006","105.241","0.003","94.313","0.004","99.33","0.003","3865.1","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C82 H88 Cl2 N8 O2 S5 -","- C82 H88 Cl2 N8 O2 S5 -","- C164 H176 Cl4 N16 O4 S10 -","2","1","","Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang","Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors","Energy & Environmental Science","2020","13","12","5028","5038","10.1039/D0EE02251A","","x-ray","1.54184","CuKα","","0.1814","0.0961","","","0.2539","0.3134","","","","","","0.986","","","","has coordinates","260796","2021-01-07","06:40:51",""
"1559376","14.699","0.002","17.173","0.003","17.727","0.002","65.789","0.014","65.996","0.013","72.836","0.014","3683.8","1","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C82 H88 Cl2 N8 O2 S5 -","- C82 H88 Cl2 N8 O2 S5 -","- C164 H176 Cl4 N16 O4 S10 -","2","1","","Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang","Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors","Energy & Environmental Science","2020","13","12","5028","5038","10.1039/D0EE02251A","","x-ray","1.54184","CuKα","","0.3262","0.1302","","","0.322","0.4378","","","","","","0.963","","","","has coordinates","260796","2021-01-07","06:40:51",""
"1559377","14.6444","0.0012","15.9434","0.0016","17.986","0.0011","106.356","0.007","113.691","0.007","95.799","0.008","3578.6","0.6","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H68 Cl2 N4 O4 S2 -","- C68 H68 Cl2 N4 O4 S2 -","- C136 H136 Cl4 N8 O8 S4 -","2","1","","Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang","Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors","Energy & Environmental Science","2020","13","12","5028","5038","10.1039/D0EE02251A","","x-ray","1.54184","CuKα","","0.2605","0.2023","","","0.5001","0.5666","","","","","","1.275","","","","has coordinates","260796","2021-01-07","06:40:51",""
"1559378","22.5044","0.0008","8.2479","0.0003","16.3708","0.0006","90","","126.325","0.0011","90","","2448.15","0.16","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-bromo-2-isopropylphenol hemi-1,4-diazabicyclo[2.2.2]octane cocrystal","","- C12 H17 Br N O -","- C12 H17 Br N O -","- C96 H136 Br8 N8 O8 -","8","1","","Peng, Feng; Humphrey, Guy R.; Maloney, Kevin M.; Lehnherr, Dan; Weisel, Mark; Lévesque, Francois; Naber, John R.; Brunskill, Andrew P. J.; Larpent, Patrick; Zhang, Si-Wei; Lee, Alfred Y.; Arvary, Rebecca A.; Lee, Claire H.; Bishara, Daniel; Narsimhan, Karthik; Sirota, Eric; Whittington, Michael","Development of a Green and Sustainable Manufacturing Process for Gefapixant Citrate (MK-7264) Part 2: Development of a Robust Process for Phenol Synthesis","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00241","","","1.54178","CuKα","","0.0218","0.0209","","","0.0534","0.054","","","","","","1.063","","","","has coordinates","258455","2020-10-21","18:00:00",""
"1559379","34.0993","0.0015","34.2455","0.0015","23.9647","0.0011","90","","113.073","0.002","90","","25746","2","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C428 H552 Cu24 N24 O144 -","- C264 H184 Cu24 N4 O144 -","- C528 H368 Cu48 N8 O288 -","2","0.25","","Antonio, Alexandra M.; Korman, Kyle J.; Yap, Glenn; Bloch, Eric D.","Porous metal-organic alloys based on soluble coordination cages","Chemical Science","2020","","","","","10.1039/D0SC04941G","","","1.54178","CuKα","","0.1244","0.087","","","0.2348","0.295","","","","","","1.033","","","","has coordinates","258481","2020-10-21","18:00:00",""
"1559380","38.162","0.002","30.3222","0.0017","28.8145","0.0017","90","","110.311","0.003","90","","31270","3","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C504 H744 Cu24 N24 O144 -","- C224 H116 Cu24 N4 O144 -","- C448 H232 Cu48 N8 O288 -","2","0.25","","Antonio, Alexandra M.; Korman, Kyle J.; Yap, Glenn; Bloch, Eric D.","Porous metal-organic alloys based on soluble coordination cages","Chemical Science","2020","","","","","10.1039/D0SC04941G","","","1.54178","CuKα","","0.1074","0.0816","","","0.2454","0.2855","","","","","","1.03","","","","has coordinates","258481","2020-10-21","18:00:00",""
"1559381","38.1865","0.0015","30.1168","0.0012","26.1698","0.0011","90","","106.633","0.003","90","","28837","2","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C432 H616 Cu24 N8 O144 -","- C254 H168 Cu24 N8 O144 -","- C508 H336 Cu48 N16 O288 -","2","0.25","","Antonio, Alexandra M.; Korman, Kyle J.; Yap, Glenn; Bloch, Eric D.","Porous metal-organic alloys based on soluble coordination cages","Chemical Science","2020","","","","","10.1039/D0SC04941G","","","1.54178","CuKα","","0.1381","0.098","","","0.2821","0.3341","","","","","","1.156","","","","has coordinates,has disorder","258481","2020-10-21","18:00:00",""
"1559382","6.01908","0.00011","7.87883","0.00016","45.2168","0.0012","91.9646","0.0019","92.9466","0.0018","90.3409","0.0016","2140.17","0.08","296","","296","","","","","","","","","3","P -1","-P 1","2","","2-octyl-BTNT","","- C26 H26 S2 -","- C26 H26 S2 -","- C104 H104 S8 -","4","2","","Inoue, Satoru; Higashino, Toshiki; Arai, Shunto; Kumai, Reiji; MATSUI, Hiroyuki; Tsuzuki, Seiji; Horiuchi, Sachio; Hasegawa, Tatsuo","Regioisomeric Control of Layered Crystallinity in Solution-Processable Organic Semiconductors","Chemical Science","2020","","","","","10.1039/D0SC04461J","","","1.54187","CuKα","","0.0854","0.0638","","","0.1652","0.1766","","","","","","1.092","","","","has coordinates","258482","2020-10-21","18:00:00",""
"1559383","6.1144","0.0003","7.948","0.0005","44.66","0.002","87.923","0.005","89.367","0.004","89.762","0.005","2168.8","0.2","296","","296","","","","","","","","","3","P -1","-P 1","2","","9-octyl-BTNT","","- C26 H26 S2 -","- C26 H26 S2 -","- C104 H104 S8 -","4","2","","Inoue, Satoru; Higashino, Toshiki; Arai, Shunto; Kumai, Reiji; MATSUI, Hiroyuki; Tsuzuki, Seiji; Horiuchi, Sachio; Hasegawa, Tatsuo","Regioisomeric Control of Layered Crystallinity in Solution-Processable Organic Semiconductors","Chemical Science","2020","","","","","10.1039/D0SC04461J","","","1.54187","CuKα","","0.1414","0.0763","","","0.1905","0.2374","","","","","","0.951","","","","has coordinates","258482","2020-10-21","18:00:00",""
"1559384","6.0576","0.0003","8.0009","0.0004","44.519","0.003","87.629","0.005","88.944","0.004","89.75","0.004","2155.4","0.2","296","","296","","","","","","","","","3","P -1","-P 1","2","","3-octyl-BTNT","","- C26 H26 S2 -","- C26 H26 S2 -","- C104 H104 S8 -","4","2","","Inoue, Satoru; Higashino, Toshiki; Arai, Shunto; Kumai, Reiji; MATSUI, Hiroyuki; Tsuzuki, Seiji; Horiuchi, Sachio; Hasegawa, Tatsuo","Regioisomeric Control of Layered Crystallinity in Solution-Processable Organic Semiconductors","Chemical Science","2020","","","","","10.1039/D0SC04461J","","","0.71075","MoKα","","0.233","0.1215","","","0.3241","0.3749","","","","","","1.048","","","","has coordinates","258482","2020-10-21","18:00:00",""
"1559385","6.00978","0.00014","7.87052","0.00018","45.2747","0.0012","91.737","0.002","92.907","0.002","90.217","0.0018","2137.73","0.09","296","","296","","","","","","","","","3","P -1","-P 1","2","","8-octyl-BTNT","","- C26 H26 S2 -","- C26 H26 S2 -","- C104 H104 S8 -","4","2","","Inoue, Satoru; Higashino, Toshiki; Arai, Shunto; Kumai, Reiji; MATSUI, Hiroyuki; Tsuzuki, Seiji; Horiuchi, Sachio; Hasegawa, Tatsuo","Regioisomeric Control of Layered Crystallinity in Solution-Processable Organic Semiconductors","Chemical Science","2020","","","","","10.1039/D0SC04461J","","","0.71073","MoKα","","0.1755","0.0648","","","0.1179","0.1583","","","","","","0.98","","","","has coordinates","258482","2020-10-21","18:00:00",""
"1559386","12.586","0.0002","15.1416","0.0002","13.4977","0.0002","90","","97.253","0.001","90","","2551.7","0.07","199.99","0.1","199.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 B F4 N -","- C32 H24 B F4 N -","- C128 H96 B4 F16 N4 -","4","1","","Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong","Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen.","Chemical science","2020","12","2","709","717","10.1039/d0sc04725b","","x-ray","1.54184","CuKα","","0.0515","0.0416","","","0.1063","0.1105","","","","","","1.026","","","","has coordinates","267075","2021-07-05","16:51:50",""
"1559387","11.07767","0.0002","21.641","0.0004","13.7711","0.0003","90","","101.839","0.0018","90","","3231.15","0.11","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 B Cl6 F4 N -","- C33 H22 B Cl6 F4 N -","- C132 H88 B4 Cl24 F16 N4 -","4","1","","Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong","Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen.","Chemical science","2020","12","2","709","717","10.1039/d0sc04725b","","","1.54184","CuKα","","0.0848","0.0695","","","0.183","0.1947","","","","","","1.074","","","","has coordinates","267075","2021-07-05","16:51:50",""
"1559388","8.5484","0.0005","11.4387","0.0006","13.608","0.0009","103.553","0.005","90.551","0.005","98.266","0.005","1278.84","0.14","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H22 F6 N P -","- C31 H22 F6 N P -","- C62 H44 F12 N2 P2 -","2","1","","Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong","Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen.","Chemical science","2020","12","2","709","717","10.1039/d0sc04725b","","x-ray","1.54184","CuKα","","0.0492","0.0362","","","0.0939","0.1006","","","","","","1.024","","","","has coordinates","267075","2021-07-05","16:51:50",""
"1559389","8.4537","0.0006","11.0248","0.0009","13.8145","0.001","108.087","0.007","95.552","0.006","99.64","0.006","1191.32","0.17","100.01","0.1","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H22 B F4 N -","- C31 H22 B F4 N -","- C62 H44 B2 F8 N2 -","2","1","","Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong","Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen.","Chemical science","2020","12","2","709","717","10.1039/d0sc04725b","","","1.54184","CuKα","","0.0491","0.0365","","","0.0898","0.0957","","","","","","1.007","","","","has coordinates","267075","2021-07-05","16:51:50",""
"1559390","15.62776","0.00016","16.52398","0.00016","18.67576","0.00019","90","","90","","90","","4822.69","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H22 B F4 N -","- C32 H22 B F4 N -","- C256 H176 B8 F32 N8 -","8","1","","Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong","Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen.","Chemical science","2020","12","2","709","717","10.1039/d0sc04725b","","x-ray","1.54184","CuKα","","0.0471","0.0402","","","0.1102","0.1153","","","","","","1.02","","","","has coordinates","267075","2021-07-05","16:51:50",""
"1559391","6.3136","0.0002","11.6138","0.0005","12.633","0.0005","90","","95.292","0.003","90","","922.36","0.06","150","2","150.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-Methoxypentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11-dione","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","BT4099","Kotha, Sambasivarao; Ansari, Saima; Cheekatla, Subba Rao","7-Methoxypentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11-dione","IUCrData","2020","5","10","x201380","","10.1107/S2414314620013802","","","0.71073","MoKα","","0.0551","0.0477","","","0.1075","0.1106","","","","","","1.096","","","","has coordinates,has Fobs","258520","2020-10-21","05:24:37",""
"1559392","24.8883","0.0007","7.2668","0.0003","34.9364","0.0013","90","","90","","90","","6318.5","0.4","170","2","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H34 N2 O2 Si -","- C38 H34 N2 O2 Si -","- C304 H272 N16 O16 Si8 -","8","1","","Guo, Jinna; Feng, Weiqiang; Du, Peiyao; Zhang, Ruizhong; Liu, Jia; Liu, Yu; Wang, Zhiming; Lu, Xiaoquan","Aggregation-Induced Electrochemiluminescence of Tetraphenylbenzosilole Derivatives in an Aqueous Phase System for Ultrasensitive Detection of Hexavalent Chromium.","Analytical chemistry","2020","92","21","14838","14845","10.1021/acs.analchem.0c03709","","","0.71073","MoKα","","0.0805","0.0623","","","0.175","0.1898","","","","","","1.061","","","","has coordinates","258705","2020-11-04","01:18:52",""
"1559395","8.42344","0.00005","13.02017","0.00008","15.78803","0.0001","90","","92.1346","0.0006","90","","1730.34","0.018","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","2","","Zhang, Sitian; He, Yan; Li, Fengli; Lin, Shuang; Yang, Beiye; Mo, Shuyuan; Li, Huaqiang; Wang, Jianping; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Bioassay-Directed Isolation of Antibacterial Metabolites from an Arthropod-Derived Penicillium chrysogenum","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00873","","x-ray","1.54184","CuKα","","0.0269","0.0267","","","0.0719","0.072","","","","","","1.067","","","","has coordinates","258564","2020-10-22","23:24:51",""
"1559396","8.4465","0.0002","13.0493","0.0004","15.8066","0.0005","90","","91.564","0.001","90","","1741.57","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","2","","Zhang, Sitian; He, Yan; Li, Fengli; Lin, Shuang; Yang, Beiye; Mo, Shuyuan; Li, Huaqiang; Wang, Jianping; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Bioassay-Directed Isolation of Antibacterial Metabolites from an Arthropod-Derived Penicillium chrysogenum","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00873","","","1.54178","CuKα","","0.0283","0.0282","","","0.0721","0.0722","","","","","","1.043","","","","has coordinates","258565","2020-10-22","23:25:17",""
"1559397","5.5043","0.0007","5.5043","0.0007","13.548","0.0001","90","","90","","120","","355.48","0.06","","","298","","","","100","","","","","5","R 3 c :H","R 3 -2""c","161","(Bi0.488Na0.512)(Ti0.975Nb0.025)O3","","","- Bi0.488 Na0.512 Nb0.025 O3 Ti0.975 -","- Bi0.469 Na0.508 Nb0.023 O2.97 Ti0.977 -","- Bi2.814 Na3.048 Nb0.138 O17.82 Ti5.862 -","6","0.333333","","Idemoto, Y.; Fujishiro, N.; Kitamura, N.","Ferroelectric and piezoelectric properties, and crystal structures of (Bi,Na)(Ti,M)O3 (M = Nb, Ta)","Journal of the Ceramic Society of Japan","2020","128","","766","771","10.2109/jcersj2.20060","","","","","","","","","","","","","","","","","","","","","has coordinates","258571","2020-10-23","02:46:47",""
"1559398","7.7819","0.0004","10.0468","0.0005","23.6401","0.0013","90","","90","","90","","1848.26","0.17","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C84 H112 O20 -","4","1","","Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo","Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution","IUCrJ","2020","7","6","","","10.1107/S2052252520013263","","","0.71073","MoKα","","0.0793","0.0504","","","0.1136","0.1268","","","","","","1.029","","","","has coordinates","258575","2020-10-23","04:59:49",""
"1559399","7.7442","0.0006","10.0968","0.0008","23.675","0.0019","90","","90","","90","","1851.2","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28.74 O5 -","- C21 H28.74 O5 -","- C84 H114.96 O20 -","4","1","","Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo","Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution","IUCrJ","2020","7","6","","","10.1107/S2052252520013263","","","0.71073","MoKα","","0.1886","0.0747","","","0.123","0.1611","","","","","","0.981","","","","has coordinates","258575","2020-10-23","04:59:56",""
"1559400","7.7308","0.0007","10.1237","0.0009","23.694","0.002","90","","90","","90","","1854.4","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29.27 O5 -","- C21 H29.26 O5 -","- C84 H117.04 O20 -","4","1","","Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo","Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution","IUCrJ","2020","7","6","","","10.1107/S2052252520013263","","","0.71073","MoKα","","0.2847","0.0715","","","0.1271","0.1907","","","","","","0.967","","","","has coordinates","258575","2020-10-23","04:59:57",""
"1559401","7.6953","0.0009","10.1268","0.0011","23.619","0.003","90","","90","","90","","1840.6","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29.48 O5 -","- C21 H29.48 O5 -","- C84 H117.92 O20 -","4","1","","Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo","Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution","IUCrJ","2020","7","6","","","10.1107/S2052252520013263","","","0.71073","MoKα","","0.118","0.1038","","","0.3033","0.315","","","","","","1.048","","","","has coordinates","258575","2020-10-23","04:59:57",""
"1559402","10.1439","0.0014","12.4255","0.0016","30.496","0.005","90","","90","","90","","3843.8","1","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O5 -","- C21 H30 O5 -","- C168 H240 O40 -","8","2","","Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo","Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution","IUCrJ","2020","7","6","","","10.1107/S2052252520013263","","","1.54178","CuKα","","0.4719","0.098","","","0.2175","0.3915","","","","","","0.828","","","","has coordinates","258575","2020-10-23","04:59:57",""
"1559407","6.5499","0.0003","7.6232","0.0003","25.6211","0.0011","90","","96.216","0.001","90","","1271.77","0.09","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-Hydroxy-5-nitrobenzaldehyde(2'-hydroxy-5'-methylphenyl)imine","6-[(2-Hydroxy-5-methylanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","HB4367","Böhme, Uwe; Fels, Sabine","6-[(2-Hydroxy-5-methylanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one","IUCrData","2020","5","10","x201384","","10.1107/S241431462001384X","","","0.71073","MoKα","","0.0637","0.0412","","","0.099","0.1141","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","258592","2020-10-24","04:23:18",""
"1559408","25.006","0.002","5.0337","0.0006","8.5646","0.0006","90","","90","","90","","1078.05","0.17","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(8-Hydroxy-6-methoxy-1-oxo-1<i>H</i>-isochromen-3-yl)methyl formate","","- C12 H10 O6 -","- C12 H10 O6 -","- C48 H40 O24 -","4","1","","Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen","(8-Hydroxy-6-methoxy-1-oxo-1<i>H</i>-isochromen-3-yl)methyl formate: a supramolecular framework","IUCrData","2020","5","10","x201391","","10.1107/S2414314620013917","","","0.71073","MoKα","","0.0743","0.0503","","","0.1204","0.1352","","","","","","0.908","","","","has coordinates,has Fobs","258593","2020-10-24","04:23:41",""
"1559409","14.872","0.0007","7.8414","0.0005","35.3848","0.0017","90","","92.297","0.004","90","","4123.2","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C168 H200 N8 O32 -","8","4","","Zhang, Wei-Yang; Zhong, Yue; Yu, Yang; Shi, Dan-Feng; Huang, Hui-Yun; Tang, Xiao-Long; Wang, Yong-Heng; Chen, Guo-Dong; Zhang, Hui-Ping; Liu, Chen-Li; Hu, Dan; Gao, Hao; Yao, Xin-Sheng","4-Hydroxy Pyridones from Heterologous Expression and Cultivation of the Native Host.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00675","","x-ray","1.54184","CuKα","","0.1051","0.0667","","","0.158","0.1912","","","","","","0.985","","","","has coordinates","258596","2020-10-24","23:04:25",""
"1559410","7.22366","0.00016","16.5577","0.0004","20.6478","0.0005","90","","90","","90","","2469.63","0.1","180.9","","180.9","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N3 O7 -","- C28 H27 N3 O7 -","- C112 H108 N12 O28 -","4","1","","Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe","Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy","Journal of Medicinal Chemistry","2020","","","","","10.1021/acs.jmedchem.0c01271","","","1.54184","CuKα","","0.0402","0.0356","","","0.0914","0.0967","","","","","","1.07","","","","has coordinates","258604","2020-10-27","00:08:57",""
"1559411","10.6126","0.0003","11.4102","0.0004","13.3071","0.0005","95.819","0.003","112.387","0.003","111.273","0.003","1333.67","0.1","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N4 O5.5 -","- C32 H26 N4 O5.5 -","- C64 H52 N8 O11 -","2","1","","Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe","Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy","Journal of Medicinal Chemistry","2020","","","","","10.1021/acs.jmedchem.0c01271","","","1.54184","CuKα","","0.055","0.0493","","","0.1312","0.1381","","","","","","1.034","","","","has coordinates","258605","2020-10-27","00:09:20",""
"1559412","24.2245","0.0015","24.2245","0.0015","12.4413","0.0006","90","","90","","120","","6322.8","0.6","100","0.1","100","0.1","","","","","","","","4","R 3 :H","R 3","146","","","","- C31 H28 N4 O5 -","- C31 H28 N4 O5 -","- C279 H252 N36 O45 -","9","1","","Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe","Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy","Journal of Medicinal Chemistry","2020","","","","","10.1021/acs.jmedchem.0c01271","","x-ray","1.54184","CuKα","","0.0969","0.0793","","","0.196","0.2143","","","","","","1.069","","","","has coordinates","258606","2020-10-27","00:09:44",""
"1559413","15.4258","0.0005","8.2007","0.0002","20.1539","0.0006","90","","98.481","0.003","90","","2521.64","0.13","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H28 N4 O6 -","- C29 H28 N4 O6 -","- C116 H112 N16 O24 -","4","2","","Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe","Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy","Journal of Medicinal Chemistry","2020","","","","","10.1021/acs.jmedchem.0c01271","","","1.54184","CuKα","","0.0591","0.0502","","","0.1234","0.1335","","","","","","1.046","","","","has coordinates","258607","2020-10-27","00:10:08",""
"1559414","9.05425","0.00019","14.2458","0.0003","22.2227","0.0004","90","","90","","90","","2866.4","0.1","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H29 N5 O5 -","- C37 H29 N5 O5 -","- C148 H116 N20 O20 -","4","1","","Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe","Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy","Journal of Medicinal Chemistry","2020","","","","","10.1021/acs.jmedchem.0c01271","","x-ray","1.54184","CuKα","","0.0583","0.0525","","","0.1375","0.1403","","","","","","1.042","","","","has coordinates","258608","2020-10-27","00:10:35",""
"1559415","14.814","0.003","7.972","0.0016","10.798","0.002","90","0","100.7","0.03","90","0","1253","0.4","25","2","25","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","sila-ibuprofen","","","- C12 H18 O2 Si -","- C12 H18 O2 Si -","- C48 H72 O8 Si4 -","4","1","","Kleemiss, Florian; Justies, Aileen; Duvinage, Daniel; Watermann, Patrick; Ehrke, Eric; Sugimoto, Kunihisa; Fugel, Malte; Malaspina, Lorraine A.; Dittmer, Anneke; Kleemiss, Torsten; Puylaert, Pim; King, Nelly R.; Staubitz, Anne; Tzschentke, Thomas M.; Dringen, Ralf; Grabowsky, Simon; Beckmann, Jens","Sila-Ibuprofen.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.0c00813","","x-ray","0.3761","synchrotron","","","0.0267","","","0.0189","","","","","","","1.58973","","","","has coordinates,has disorder","258609","2020-10-27","00:11:36",""
"1559416","14.465","0.003","7.815","0.0016","10.435","0.002","90","0","99.66","0.03","90","0","1162.9","0.4","25","2","25","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","ibuprofen","","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Kleemiss, Florian; Justies, Aileen; Duvinage, Daniel; Watermann, Patrick; Ehrke, Eric; Sugimoto, Kunihisa; Fugel, Malte; Malaspina, Lorraine A.; Dittmer, Anneke; Kleemiss, Torsten; Puylaert, Pim; King, Nelly R.; Staubitz, Anne; Tzschentke, Thomas M.; Dringen, Ralf; Grabowsky, Simon; Beckmann, Jens","Sila-Ibuprofen.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.0c00813","","x-ray","0.3761","synchrotron","","","0.0216","","","0.0144","","","","","","","1.341","","","","has coordinates,has disorder","258610","2020-10-27","00:12:27",""
"1559417","17.7519","0.0011","30.485","0.0011","17.7526","0.0008","90","","91.061","0.001","90","","9605.5","0.8","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Al2.95 Cr0.59 -","- Al2.95407 Cr0.586161 -","- Al514.008 Cr101.992 -","174","21.75","WM4139","Geng, Xu; Wen, Bin; Fan, Changzeng","Crystal structure of Al2.95Cr0.59, a phase closely related to the η-phase in the binary Al‒Cr system","IUCrData","2020","5","10","","","10.1107/S2414314620014121","","","0.71073","MoKα","","0.0851","0.0444","","","0.0712","0.0809","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","258621","2020-10-28","05:34:13",""
"1559418","11.275","0.0003","14.6945","0.0005","24.4728","0.0007","90","","90","","90","","4054.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H54 Cl2 N4 O6 -","- C43 H50 Cl2 N4 O6 -","- C172 H200 Cl8 N16 O24 -","4","1","","Yi, Wen-Fang; Ding, Xiao; Chen, Yuan-Zhi; Adelakun, Tiwalade A.; Zhang, Yu; Hao, Xiao-Jiang","Tabernaesines A-I, Cytotoxic Aspidosperma-Aspidosperma-Type Bisindole Alkaloids from <i>Tabernaemontana pachysiphon</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b00768","","","1.54178","CuKα","","0.0975","0.0968","","","0.2739","0.2747","","","","","","1.092","","","","has coordinates","258638","2020-10-30","00:16:31",""
"1559419","6.8597","0.0004","8.1506","0.0005","9.6464","0.0006","113.283","0.001","103.766","0.001","91.103","0.001","477.29","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C20 H34 O4 -","1","0.5","","Shkrob, Ilya A.; Li, Tao; Sarnello, Erik; Robertson, Lily A.; Zhao, Yuyue; Farag, Hossam; Yu, Zhou; Zhang, Jingjing; Bheemireddy, Sambasiva R.; Z, Y; Assary, Rajeev S.; Ewoldt, Randy H.; Cheng, Lei; Zhang, Lu","Self-Assembled Solute Networks in Crowded Electrolyte Solutions and Nanoconfinement of Charged Redoxmer Molecules","The Journal of Physical Chemistry B","2020","","","","","10.1021/acs.jpcb.0c07760","","","0.71073","MoKα","","0.0361","0.0339","","","0.0927","0.0946","","","","","","1.018","","","","has coordinates","258642","2020-10-30","00:29:11",""
"1559420","6.8022","0.0005","9.2501","0.0007","15.7435","0.0012","73.83","0.001","83.495","0.001","69.502","0.001","891.03","0.12","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H30 O3 -","- C18 H30 O3 -","- C36 H60 O6 -","2","1","","Shkrob, Ilya A.; Li, Tao; Sarnello, Erik; Robertson, Lily A.; Zhao, Yuyue; Farag, Hossam; Yu, Zhou; Zhang, Jingjing; Bheemireddy, Sambasiva R.; Z, Y; Assary, Rajeev S.; Ewoldt, Randy H.; Cheng, Lei; Zhang, Lu","Self-Assembled Solute Networks in Crowded Electrolyte Solutions and Nanoconfinement of Charged Redoxmer Molecules","The Journal of Physical Chemistry B","2020","","","","","10.1021/acs.jpcb.0c07760","","","0.71073","MoKα","","0.0448","0.0368","","","0.0979","0.1041","","","","","","1.001","","","","has coordinates","258643","2020-10-30","00:29:39",""
"1559421","14.7759","0.0003","14.7759","0.0003","29.8577","0.0007","90","","90","","90","","6518.7","0.2","100","","100","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0411","0.038","","","0.0478","0.0484","","","","2.8","2.8","2.69","","","","has coordinates","258644","2020-10-30","05:35:28",""
"1559422","14.7908","0.0003","14.7908","0.0003","29.8489","0.0007","90","","90","","90","","6530","0.2","119.97","0.19","120","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0417","0.0387","","","0.0939","0.0953","","","","2.59","2.59","2.5","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559423","14.8076","0.0003","14.8076","0.0003","29.8449","0.0008","90","","90","","90","","6543.9","0.3","140","","140","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0416","0.0386","","","0.0925","0.0946","","","","2.49","2.49","2.42","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559424","14.8239","0.0004","14.8239","0.0004","29.8395","0.0008","90","","90","","90","","6557.2","0.3","160.01","0.1","160","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.042","0.0385","","","0.0928","0.0946","","","","2.46","2.46","2.38","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559425","14.8206","0.0007","14.8206","0.0007","29.8617","0.0014","90","","90","","90","","6559.1","0.5","160","","160","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N2.995 Ni O2.99 -","- C320 H240 N47.92 Ni16 O47.84 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.058","0.0499","","","0.1137","0.1176","","","","2.58","2.58","2.43","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559426","14.8394","0.0003","14.8394","0.0003","29.832","0.0008","90","","90","","90","","6569.2","0.3","180","","180","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0438","0.0399","","","0.0957","0.0983","","","","2.45","2.45","2.36","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559427","14.8477","0.0003","14.8477","0.0003","29.8554","0.0005","90","","90","","90","","6581.7","0.2","180","","180","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0421","0.0374","","","0.0912","0.0937","","","","2.2","2.2","2.11","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559428","14.8584","0.0003","14.8584","0.0003","29.828","0.0008","90","","90","","90","","6585.2","0.3","200","","200","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N2.999 Ni O2.998 -","- C320 H240 N47.984 Ni16 O47.968 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0424","0.0389","","","0.0943","0.0965","","","","2.47","2.47","2.39","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559429","14.8663","0.0003","14.8663","0.0003","29.841","0.0005","90","","90","","90","","6595.1","0.2","200","","200","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0453","0.0415","","","0.1","0.102","","","","2.56","2.56","2.46","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559430","14.8778","0.0003","14.8778","0.0003","29.8291","0.0006","90","","90","","90","","6602.6","0.2","220","","220","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0395","0.0369","","","0.0906","0.0919","","","","2.5","2.5","2.42","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559431","14.893","0.0006","14.893","0.0006","29.829","0.0013","90","","90","","90","","6616.1","0.5","240","","240","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0992","0.0934","","","0.2251","0.2272","","","","4.76","4.76","4.4","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559432","14.8976","0.0003","14.8976","0.0003","29.8244","0.0006","90","","90","","90","","6619.2","0.2","240","","240","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0402","0.0375","","","0.0464","0.0472","","","","2.48","2.48","2.39","","","","has coordinates","258644","2020-10-30","05:35:31",""
"1559433","5.7834","0.0002","9.614","0.0004","12.3417","0.0004","90","","102.028","0.002","90","","671.15","0.04","90","0.1","90","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H15 Cl3 N2 O S -","- C9 H15 Cl3 N2 O S -","- C18 H30 Cl6 N4 O2 S2 -","2","1","","Yan, Luping; Banuelos, Carmen A.; Mawji, Nasrin R.; Patrick, Brian O.; Sadar, Marianne D.; Andersen, Raymond J.","Structure‒Activity Relationships for the Marine Natural Product Sintokamides: Androgen Receptor N-Terminus Antagonists of Interest for Treatment of Metastatic Castration-Resistant Prostate Cancer","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00921","","","0.71073","MoKα","","0.0196","0.019","","","0.0475","0.0479","","","","","","1.035","","","","has coordinates","258657","2020-10-31","00:16:13",""
"1559434","5.8041","0.0009","9.6514","0.0014","12.3924","0.0018","90","","102.123","0.002","90","","678.71","0.17","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H15 Cl3 N2 O S -","- C9 H15 Cl3 N2 O S -","- C18 H30 Cl6 N4 O2 S2 -","2","1","","Yan, Luping; Banuelos, Carmen A.; Mawji, Nasrin R.; Patrick, Brian O.; Sadar, Marianne D.; Andersen, Raymond J.","Structure‒Activity Relationships for the Marine Natural Product Sintokamides: Androgen Receptor N-Terminus Antagonists of Interest for Treatment of Metastatic Castration-Resistant Prostate Cancer","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00921","","","0.71073","MoKα","","0.0201","0.0191","","","0.0465","0.0471","","","","","","1.037","","","","has coordinates","258658","2020-10-31","00:16:31",""
"1559435","9.6181","0.0007","11.8325","0.001","21.1656","0.0016","90","","90","","90","","2408.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 Cl6 N2 O4 -","- C18 H24 Cl6 N2 O4 -","- C72 H96 Cl24 N8 O16 -","4","1","","Yan, Luping; Banuelos, Carmen A.; Mawji, Nasrin R.; Patrick, Brian O.; Sadar, Marianne D.; Andersen, Raymond J.","Structure‒Activity Relationships for the Marine Natural Product Sintokamides: Androgen Receptor N-Terminus Antagonists of Interest for Treatment of Metastatic Castration-Resistant Prostate Cancer","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00921","","x-ray","0.71073","MoKα","","0.0446","0.0371","","","0.0824","0.0865","","","","","","1.039","","","","has coordinates","258659","2020-10-31","00:16:55",""
"1559436","5.8147","0.0002","10.0058","0.0004","11.3922","0.0005","92.978","0.002","92.413","0.002","91.372","0.002","661.1","0.05","150","2","150","","","","","","","","","3","P -1","-P 1","2","","b-model-Ph","","- C17 H18 O -","- C17 H18 O -","- C34 H36 O2 -","2","1","","Du, Cheng; Chu, Hongling; Xiao, Zefan; Zhong, Liu; Zhou, Yusheng; Qin, Wei; Liang, Guodong; Gao, Haiyang","Alternating Vinylarene‒Carbon Monoxide Copolymers: Simple and Efficient Nonconjugated Luminescent Macromolecules","Macromolecules","2020","","","","","10.1021/acs.macromol.0c01792","","","1.34138","GaKα","","0.0605","0.0516","","","0.1299","0.1359","","","","","","1.07","","","","has coordinates","258661","2020-10-31","00:46:59",""
"1559437","9.9429","0.0005","9.3845","0.0005","20.7845","0.0011","90","","91.55","0.002","90","","1938.67","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C72 H92 N4 O28 -","4","1","HB4364","Dallasta Pedroso, Sofia; Caracelli, Ignez; Zukerman-Schpector, Julio; Soto-Monsalve, Monica; De Almeida Santos, Regina H.; Correia, Carlos Roque D.; Llanes Garcia, Ariel L.; Tiekink, Edward R. T.","Ethyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate","IUCrData","2020","5","10","x201228","","10.1107/S2414314620012286","","","0.71073","MoKα","","0.0785","0.049","","","0.1213","0.1403","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","258664","2020-10-31","05:46:23",""
"1559438","8.8051","0.0004","14.4941","0.0007","5.2206","0.0002","90","","90","","90","","666.26","0.05","123","2","123","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N-ethyl-N-nitroglycine","N-ethyl-N-nitroglycine","","- C4 H6 N2 O6 -","- C4 H6 N2 O6 -","- C16 H24 N8 O24 -","4","0.5","","Unger, Cornelia C.; Holler, Marcel; Krumm, Burkhard; Klapötke, Thomas M.","Oxygen-Rich Bis(trinitroethyl esters): Suitable Oxidizers as Potential Ammonium Perchlorate Replacements","Energy & Fuels","2020","","","","","10.1021/acs.energyfuels.0c02910","","x-ray","0.71073","MoKα","","0.0366","0.0297","","","0.0744","0.079","","","","","","1.076","","","","has coordinates","258666","2020-10-31","23:31:06",""
"1559439","5.8695","0.0007","17.401","0.002","18.116","0.002","88.36","0.009","86.992","0.01","84.906","0.01","1839.9","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","nitraminodiacetic acid bis(2,2,2-trinitroethylester)","nitraminodiacetic acid bis(2,2,2-trinitroethylester)","","- C8 H8 N8 O18 -","- C8 H8 N8 O18 -","- C32 H32 N32 O72 -","4","2","","Unger, Cornelia C.; Holler, Marcel; Krumm, Burkhard; Klapötke, Thomas M.","Oxygen-Rich Bis(trinitroethyl esters): Suitable Oxidizers as Potential Ammonium Perchlorate Replacements","Energy & Fuels","2020","","","","","10.1021/acs.energyfuels.0c02910","","x-ray","0.71073","MoKα","","0.2014","0.0715","","","0.0948","0.1466","","","","","","0.926","","","","has coordinates","258667","2020-10-31","23:35:47",""
"1559451","18.201","0.003","18.852","0.003","20.713","0.003","90","","114.279","0.005","90","","6478.6","1.8","173","2","173","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C128 H83 B Cl12 F22.5 N2 O4 Pd -","- C128 H83 B Cl12 F22.5 N2 O4 Pd -","- C256 H166 B2 Cl24 F45 N4 O8 Pd2 -","2","1","","Zhang, Yuxing; Jian, Zhongbao","Comprehensive Picture of Functionalized Vinyl Monomers in Chain-Walking Polymerization","Macromolecules","2020","53","20","8858","8866","10.1021/acs.macromol.0c01953","","","1.54178","CuKα","","0.0618","0.0606","","","0.1689","0.1717","","","","","","1.026","","","","has coordinates,has disorder","258692","2020-11-04","01:01:25",""
"1559467","11.549","0.006","9.849","0.005","14.25","0.008","90","","91.898","0.007","90","","1620","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H43 N2 O9 Ru2 S -","- C24 H43 N2 O9 Ru2 S -","- C48 H86 N4 O18 Ru4 S2 -","2","0.5","","HANDA, Makoto; ISHIDA, Hideaki; YOSHIOKA, Daisuke; KUGITA, Fumiaki; HIROMITSU, Ichiro; KASUGA, Kuninobu; MIKURIYA, Masahiro","Crystal Structure of a Lantern-type Diruthenium(II,III) Complex with Axial Thiocyanato and DMF Ligands, [Ru<sub>2</sub>(O<sub>2</sub>CCMe<sub>3</sub>)<sub>4</sub>(NCS)(DMF)]","X-ray Structure Analysis Online","2020","36","0","39","41","10.2116/xraystruct.36.39","","","0.71073","MoKα","","0.059","0.0389","","","0.0857","0.0916","","","","","","1.081","","","","has coordinates,has disorder","258998","2020-11-06","13:29:23",""
"1559468","9.0997","0.0001","14.0995","0.0002","14.9908","0.0002","90","","90","","90","","1923.34","0.04","93.15","","93.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[3-(1,4,7,10-tetraazacyclododecam-1-yl)propan-1-amine]zinc(II)","","- C11 H27 Cl2 N5 O8 Zn -","- C11 H27 Cl2 N5 O8 Zn -","- C44 H108 Cl8 N20 O32 Zn4 -","4","1","","ICHIMARU, Yoshimi; IMAI, Masanori; FUJIOKA, Haruto; HIEDA, Yuhzo; KOIKE, Tohru; KUROSAKI, Hiromasa; KATO, Koichi","Crystal Structure of [3-(1,4,7,10-Tetraazacyclododecan-1-yl)propan-1-amine]zinc(II) Bis(perchlorate), [Zn<sup>II</sup>L](ClO<sub>4</sub>)<sub>2</sub>","X-ray Structure Analysis Online","2020","36","0","43","44","10.2116/xraystruct.36.43","","x-ray","1.54184","CuKa","","0.0218","0.0214","","","0.0535","0.0538","","","","","","1.06","","","","has coordinates","258999","2020-11-06","13:29:47",""
"1559469","15.072","0.002","7.9873","0.0009","6.841","0.0009","90","","90","","90","","823.55","0.18","18","1","18","1","","","","","","","","4","P b c n","-P 2n 2ab","60","bis(dimethylamino)squaraine","","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C32 H48 N8 O8 -","4","0.5","","Destro, Riccardo; Roversi, Pietro; Soave, Raffaella; Hovestad, Arjan; Lo Presti, Leonardo","Experimental Charge Density Analysis and Electrostatic Properties of Crystalline 1,3-Bis(Dimethylamino)Squaraine and Its Dihydrate from Low Temperature (T = 18 and 20 K) XRD Data","Crystals","2020","10","10","894","","10.3390/cryst10100894","","","0.71073","MoKα","","0.0417","0.0314","","","0.0896","0.0989","","","","","","1.113","","","","has coordinates","259000","2020-11-06","15:09:55",""
"1559470","7.959","0.001","7.154","0.001","17.799","0.002","90","","91.68","0.01","90","","1013","0.2","20","1","20","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(dimethylamino)squaraine dihydrate","","","- C8 H16 N2 O4 -","- C8 H16 N2 O4 -","- C32 H64 N8 O16 -","4","1","","Destro, Riccardo; Roversi, Pietro; Soave, Raffaella; Hovestad, Arjan; Lo Presti, Leonardo","Experimental Charge Density Analysis and Electrostatic Properties of Crystalline 1,3-Bis(Dimethylamino)Squaraine and Its Dihydrate from Low Temperature (T = 18 and 20 K) XRD Data","Crystals","2020","10","10","894","","10.3390/cryst10100894","","","0.71073","MoKα","","0.0383","0.0305","","","0.0834","0.0867","","","","","","1.052","","","","has coordinates","259000","2020-11-06","15:09:56",""
"1559471","15.4996","0.0006","23.6435","0.0007","9.0231","0.0002","90","","90","","90","","3306.65","0.18","100","2","100","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Bi6 Br7 -","- Bi6 Br7 -","- Bi48 Br56 -","8","1","","Stroganova, Ekaterina A.; Troyanov, Sergey I.; Morozov, Igor V.; Kuznetsov, Alexey N.","Bismuth Polycations Revisited: Alternative Synthesis and Electronic Structure of Bi6Br7, and Bonding in Main-Group Polyatomic Ions from a Direct Space Perspective","Crystals","2020","10","10","940","","10.3390/cryst10100940","","","0.71073","MoKα","","0.0676","0.0413","","","0.0764","0.0837","","","","","","0.883","","","","has coordinates","259001","2020-11-06","15:10:26",""
"1559472","12.0654","0.0005","11.0666","0.0005","23.955","0.0011","90","","101.376","0.0016","90","","3135.7","0.2","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O6 -","- C19 H16 O6 -","- C152 H128 O48 -","8","2","","Shin, Soon Young; Lee, Young Han; Lim, Yoongho; Lee, Ha Jin; Lee, Ji Hye; Yoo, Miri; Ahn, Seunghyun; Koh, Dongsoo","Single Crystal X-Ray Structure for the Disordered Two Independent Molecules of Novel Isoflavone: Synthesis, Hirshfeld Surface Analysis, Inhibition and Docking Studies on IKKβ of 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6,7-dimethoxy-4H-chromen-4-one","Crystals","2020","10","10","911","","10.3390/cryst10100911","","","0.71073","MoKα","","0.0666","0.043","","","0.1004","0.1179","","","","","","1.063","","","","has coordinates,has disorder","259002","2020-11-06","15:10:52",""
"1559473","6.7784","0.0002","6.7175","0.0002","8.6991","0.0003","90","","90","","90","","396.1","0.02","248","","248","","","","","","","","","4","P n c 2","P 2 -2bc","30","Diammine_Barium_Borohydride","","","- B2 Ba H14 N2 -","- B2 Ba H14 N2 -","- B4 Ba2 H28 N4 -","2","0.5","","Grinderslev, Jakob B.; Amdisen, Mads B.; Jensen, Torben R.","Synthesis, Crystal Structures and Thermal Properties of Ammine Barium Borohydrides","Inorganics","2020","8","10","57","","10.3390/inorganics8100057","powder diffraction","","","Synchrotron","","","","","","","","","2.028","2279.3","","","","","","","has coordinates","259003","2020-11-06","16:21:41",""
"1559474","5.08626","0.00008","9.37609","0.00016","12.9631","0.0002","90","","90","","90","","618.2","0.017","368","","368","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Monoammine_barium_borohydride","","","- B2 Ba H11 N -","- B2 Ba H11 N -","- B8 Ba4 H44 N4 -","4","1","","Grinderslev, Jakob B.; Amdisen, Mads B.; Jensen, Torben R.","Synthesis, Crystal Structures and Thermal Properties of Ammine Barium Borohydrides","Inorganics","2020","8","10","57","","10.3390/inorganics8100057","powder diffraction","","","Synchrotron","","","","","","","","","3.0385","1528.14","","","","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1559475","15.8302","0.0005","10.138","0.0003","14.2916","0.0007","90","","114.267","0.001","90","","2090.95","0.14","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C88 H104 N8 O24 -","8","1","","Hajib, Sara; Boukhssas, Salaheddine; Aouine, Younas; Alami, Anouar; Faraj, Hassane; Zouihri, Hafid; El Bali, Brahim; Lachkar, Mohammed","4,4-Bis(hydroxymethyl)-2-phenyl-2-oxazoline","Molbank","2020","2020","4","M1163","","10.3390/M1163","","","0.71073","MoKα","","0.0529","0.0439","","","0.1213","0.1289","","","","","","1.065","","","","has coordinates,has Fobs","277994","2022-09-20","08:32:41",""
"1559476","11.1004","0.0009","11.3611","0.0008","13.2166","0.0009","65.35","0.003","89.871","0.004","81.713","0.003","1495.97","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C56 H76 N4 O20 -","4","2","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0926","0.0576","","","0.1418","0.165","","","","","","1.04","","","","has coordinates,has disorder","259006","2020-11-06","21:31:28",""
"1559477","11.2314","0.0003","11.6094","0.0003","12.1689","0.0003","85.027","0.002","73.439","0.002","78.714","0.002","1490.66","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N-[rel-(1S,4R,8S)-6-Acetyl-8-(2-oxo-1-pyrrolidinyl)-1-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-5-en-4-yl]-3,4,5-trimethoxybenzamide 1-vinyl-2-pyrrolidone solvate","","- C30 H37 N3 O9 -","- C30 H37 N3 O9 -","- C60 H74 N6 O18 -","2","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0715","0.0482","","","0.1219","0.1385","","","","","","1.017","","","","has coordinates","259007","2020-11-06","21:31:51",""
"1559478","12.1827","0.0003","14.8081","0.0004","18.6214","0.0004","90","","90","","90","","3359.35","0.14","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","rac-Methyl 5-(Benzoylamino)-4-ethoxy-2-methylcyclohexa-1,5-diene-1-carboxylate","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C144 H168 N8 O32 -","8","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.094","0.0586","","","0.1431","0.1709","","","","","","1.046","","","","has coordinates","259008","2020-11-06","21:32:15",""
"1559479","9.2483","0.0003","11.4819","0.0003","12.1508","0.0003","112.763","0.002","93.341","0.002","106.199","0.002","1122.23","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O5 -","- C26 H24 N2 O5 -","- C52 H48 N4 O10 -","2","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0768","0.0535","","","0.1356","0.1547","","","","","","1.025","","","","has coordinates","259009","2020-11-06","21:32:36",""
"1559480","25.6982","0.0006","13.3577","0.0002","18.3592","0.0004","90","","127.29","0.001","90","","5013.85","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-[rel-(1S,4R,8S)-6-Benzoyl-8-(cyclohexyloxy)-1-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-5-en-4-yl]benzamide","","- C28 H29 N O5 -","- C28 H29 N O5 -","- C224 H232 N8 O40 -","8","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0874","0.0551","","","0.1413","0.1683","","","","","","1.023","","","","has coordinates","259010","2020-11-06","21:32:58",""
"1559481","13.6258","0.0002","15.0585","0.0003","17.0887","0.0003","90","","90","","90","","3506.33","0.11","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","N-[rel-(1S,4R,8S)-6-Acetyl-8-ethoxy-1-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-4-yl]benzamide","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C152 H168 N8 O40 -","8","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0595","0.0442","","","0.1092","0.1206","","","","","","1.05","","","","has coordinates","259011","2020-11-06","21:33:20",""
"1559482","10.1996","0.0004","19.644","0.0011","12.5325","0.0006","90","","113.734","0.003","90","","2298.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-[rel-(1S,4R,8R)-6-Acetyl-8-(2-oxo-1-pyrrolidinyl)-1-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-5-en-4-yl]-3,4,5-trimethoxybenzamide","","- C24 H28 N2 O8 -","- C24 H28 N2 O8 -","- C96 H112 N8 O32 -","4","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.1184","0.0573","","","0.1252","0.1572","","","","","","1.038","","","","has coordinates","259012","2020-11-06","21:33:41",""
"1559483","13.2171","0.0002","14.2221","0.0003","17.1809","0.0004","90","","90","","90","","3229.58","0.11","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C136 H152 N8 O48 -","8","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0618","0.0471","","","0.1293","0.1429","","","","","","1.044","","","","has coordinates","259013","2020-11-06","21:34:03",""
"1559484","6.1056","0.0003","10.8114","0.0007","15.5867","0.0009","90","","90","","90","","1028.88","0.1","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)trimethylsilane","","- C8 H16 N2 Si -","- C8 H16 N2 Si -","- C32 H64 N8 Si4 -","4","1","SJ4215","Böhme, Uwe; Bitto, Florian","(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)trimethylsilane","IUCrData","2020","5","11","x201444","","10.1107/S2414314620014443","","","0.71073","MoKα","","0.0313","0.0296","","","0.0786","0.0802","","","","","","1.091","","","","has coordinates,has Fobs","259032","2020-11-07","05:33:31",""
"1559485","8.8942","0.0001","5.654","0.0001","10.1928","0.0002","90","","115.1","0.001","90","","464.171","0.014","","","298","","","","100","","","","","9","P 1 21/m 1","-P 2yb","11","(Ca1.73Sr0.22)(Al1.99Mn0.68Fe0.37Mg0.01)Si2.99O12(OH)","","Sr-rich piemontite","- Al1.99 Ca1.73 Fe0.37 H Mg0.01 Mn0.68 O13 Si2.99 Sr0.22 -","- Al1.949 Ca1.711 H Mn1.051 O13 Si3 Sr0.289 -","- Al3.898 Ca3.422 H2 Mn2.102 O26 Si6 Sr0.578 -","2","0.5","","Nagashima, M.; Sano, Y.; Kochi, T.; Akasaka, M.; Sano-Furukawa, A.","Crystal chemistry of Sr-rich piemontite from manganese ore deposit of the Tone mine, Nishisonogi Peninsula, Nagasaki, southwest Japan","Journal of Mineralogical and Petrological Sciences","2020","115","","391","406","10.2465/jmps.191122","","","","","","","","","","","","","","","","","","","","","has coordinates","259041","2020-11-07","23:28:23",""
"1559486","8.0735","0.0002","8.0735","0.0002","8.0735","0.0002","90","","90","","90","","526.24","0.02","","","298","","","","100","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","spinel (Ni0.15Al0.85)(Ni0.425Al0.475Cr0.1)2O4","","","- Al1.8 Cr0.2 Ni O4 -","- Al1.8 Cr0.2 Ni O4 -","- Al14.4 Cr1.6 Ni8 O32 -","8","0.0416667","","Hirakawa, T.; Tokuzumi, .W; Shimokawa, Y.; Sato, T.; Yoshida, H.; Ohyama, J.; Machida, M.","Comparative study of structure-catalytic activity relationship for Ni-Cr-Al-O and Cu-Ni-Cr-Al-O spinel oxide soloid solutions","Journal of the Ceramic Society of Japan","2020","128","","906","911","10.2109/jcersj2.20101","","","","","","","","","","","","","","","","","","","","","has coordinates","259046","2020-11-09","00:56:35",""
"1559487","8.0722","0.0001","8.0722","0.0001","8.0722","0.0001","90","","90","","90","","525.988","0.011","","","298","","","","100","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","spinel (Cu0.05Ni0.11Al0.84)(Ni0.42Al0.48Cr0.1)2O4","","","- Al1.8 Cr0.2 Cu0.05 Ni0.95 O4 -","- Al1.8 Cr0.2 Cu0.05 Ni0.95 O4 -","- Al14.4 Cr1.6 Cu0.4 Ni7.6 O32 -","8","0.0416667","","Hirakawa, T.; Tokuzumi, .W; Shimokawa, Y.; Sato, T.; Yoshida, H.; Ohyama, J.; Machida, M.","Comparative study of structure-catalytic activity relationship for Ni-Cr-Al-O and Cu-Ni-Cr-Al-O spinel oxide soloid solutions","Journal of the Ceramic Society of Japan","2020","128","","906","911","10.2109/jcersj2.20101","","","","","","","","","","","","","","","","","","","","","has coordinates","259047","2020-11-09","00:57:50",""
"1559496","14.8274","0.0004","8.1697","0.0001","15.5656","0.0004","90","","114.139","0.002","90","","1720.67","0.07","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C84 H80 O16 -","4","1","","Kwesiga, George; Kelling, Alexandra; Kersting, Sebastian; Sperlich, Eric; von Nickisch-Rosenegk, Markus; Schmidt, Bernd","Total Syntheses of Prenylated Isoflavones from <i>Erythrina sacleuxii</i> and Their Antibacterial Activity: 5-Deoxy-3'-prenylbiochanin A and Erysubin F.","Journal of natural products","2020","83","11","3445","3453","10.1021/acs.jnatprod.0c00932","","","0.71073","MoKα","","0.043","0.0397","","","0.112","0.1168","","","","","","1.04","","","","has coordinates","259526","2020-12-04","02:25:59",""
"1559497","13.5433","0.0006","14.4891","0.0007","20.497","0.0009","90","","105.986","0.002","90","","3866.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H44 B F2 N3 -","- C47 H44 B F2 N3 -","- C188 H176 B4 F8 N12 -","4","1","","Gangada, Suneel; Ramnagar, Ramya Athira; Sangolkar, Akanksha Ashok; Pawar, Ravinder; Nanubolu, Jagadeesh Babu; Roy, Partha; Giribabu, Lingamallu; Chitta, Raghu","Excitation-Wavelength-Dependent Light-Induced Electron Transfer and Twisted Intramolecular Charge Transfer in <i>N</i>,<i>N</i>-Bis(4'-<i>tert</i>-butylbiphenyl-4-yl)aniline Functionalized Borondipyrromethenes.","The journal of physical chemistry. A","2020","124","47","9738","9750","10.1021/acs.jpca.0c04789","","","0.71073","MoKα","","0.1014","0.062","","","0.1716","0.1945","","","","","","1.196","","","","has coordinates,has disorder","259529","2020-12-04","02:29:35",""
"1559498","10.4092","0.0003","3.8459","0.0001","13.332","0.0004","90","","106.08","0.001","90","","512.84","0.03","170","2","169.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H2 Cl4 S2 -","- C8 H2 Cl4 S2 -","- C16 H4 Cl8 S4 -","2","0.5","","Sui, Ying; Shi, Yibo; Deng, Yunfeng; Li, Riqing; Bai, Junhua; Wang, Zhongli; Dang, Yanfeng; Han, Yang; Kirby, Nigel; Ye, Long; Geng, Yanhou","Direct Arylation Polycondensation of Chlorinated Thiophene Derivatives to High-Mobility Conjugated Polymers","Macromolecules","2020","53","22","10147","10154","10.1021/acs.macromol.0c02206","","","1.34139","GaKα","","0.0277","0.0275","","","0.0749","0.0752","","","","","","1.108","","","","has coordinates","259532","2020-12-04","02:30:48",""
"1559499","4.5288","0.0016","9.877","0.003","13.772","0.004","90","","95.219","0.013","90","","613.5","0.3","170","2","170.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H4 Cl4 S2 -","- C10 H4 Cl4 S2 -","- C20 H8 Cl8 S4 -","2","0.5","","Sui, Ying; Shi, Yibo; Deng, Yunfeng; Li, Riqing; Bai, Junhua; Wang, Zhongli; Dang, Yanfeng; Han, Yang; Kirby, Nigel; Ye, Long; Geng, Yanhou","Direct Arylation Polycondensation of Chlorinated Thiophene Derivatives to High-Mobility Conjugated Polymers","Macromolecules","2020","53","22","10147","10154","10.1021/acs.macromol.0c02206","","","1.34139","GaKα","","0.0438","0.0397","","","0.1023","0.1184","","","","","","1.14","","","","has coordinates","259532","2020-12-04","02:30:49",""
"1559506","6.784","0.003","23.336","0.007","29.173","0.011","90","","90","","90","","4618","3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 O5.5 -","- C26 H34 O5.5 -","- C208 H272 O44 -","8","2","","Li, Wei; Shao, Ya-Ting; Yin, Tian-Peng; Yan, Hui; Shen, Bao-Chun; Li, Yuan-Yi; Xie, Hui-Ding; Sun, Zhong-Wen; Ma, Yu-Lu","Penisarins A and B, Sesquiterpene Coumarins Isolated from an Endophytic <i>Penicillium</i> sp.","Journal of natural products","2020","83","11","3471","3475","10.1021/acs.jnatprod.0c00393","","","1.54178","CuKα","","0.1765","0.0919","","","0.2369","0.3035","","","","","","1.007","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1559507","28.0904","0.0007","6.9424","0.0002","11.1265","0.0003","90","","90","","90","","2169.83","0.1","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C26 H32 O5 -","- C26 H32 O5 -","- C104 H128 O20 -","4","1","","Li, Wei; Shao, Ya-Ting; Yin, Tian-Peng; Yan, Hui; Shen, Bao-Chun; Li, Yuan-Yi; Xie, Hui-Ding; Sun, Zhong-Wen; Ma, Yu-Lu","Penisarins A and B, Sesquiterpene Coumarins Isolated from an Endophytic <i>Penicillium</i> sp.","Journal of natural products","2020","83","11","3471","3475","10.1021/acs.jnatprod.0c00393","","","1.54178","CuKα","","0.038","0.0354","","","0.0922","0.0944","","","","","","1.04","","","","has coordinates","259527","2020-12-04","02:26:11",""
"1559509","6.32712","0.00004","17.39284","0.00013","21.08445","0.00016","90","","90","","90","","2320.27","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 N O4 -","- C28 H37 N O4 -","- C112 H148 N4 O16 -","4","1","","Guo, Yong-Wei; Liu, Xiao-Jing; Yuan, Jie; Li, Hou-Jin; Mahmud, Taifo; Hong, Ming-Jun; Yu, Jian-Chen; Lan, Wen-Jian","l-Tryptophan Induces a Marine-Derived <i>Fusarium</i> sp. to Produce Indole Alkaloids with Activity against the Zika Virus.","Journal of natural products","2020","83","11","3372","3380","10.1021/acs.jnatprod.0c00717","","x-ray","1.54184","CuKα","","0.0308","0.0293","","","0.0752","0.0773","","","","","","1.053","","","","has coordinates","259528","2020-12-04","02:26:17",""
"1559518","8.7029","0.0012","9.346","0.0013","15.91","0.002","91.563","0.006","100.298","0.007","107.29","0.008","1211.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N8 O9 -","- C22 H26 N8 O9 -","- C44 H52 N16 O18 -","2","1","","Maity, Dilip Kumar; Paul, Rakesh Kumar; Desiraju, Gautam R.","Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties.","Molecular pharmaceutics","2020","","","","","10.1021/acs.molpharmaceut.0c00090","","","0.71073","MoKα","","0.0587","0.0464","","","0.1089","0.1153","","","","","","1.042","","","","has coordinates","259155","2020-11-17","00:44:49",""
"1559519","8.716","0.003","11.724","0.004","15.686","0.005","76.374","0.005","85.442","0.006","69.135","0.005","1455.6","0.8","263","2","263","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H30 N8 O9 -","- C25 H30 N8 O9 -","- C50 H60 N16 O18 -","2","1","","Maity, Dilip Kumar; Paul, Rakesh Kumar; Desiraju, Gautam R.","Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties.","Molecular pharmaceutics","2020","","","","","10.1021/acs.molpharmaceut.0c00090","","","0.71073","MoKα","","0.1741","0.0731","","","0.1606","0.1947","","","","","","1.029","","","","has coordinates","259155","2020-11-17","00:44:58",""
"1559520","8.4865","0.0018","11.949","0.003","15.84","0.003","101.872","0.007","94.843","0.007","110.113","0.008","1454.8","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H31 N9 O9 -","- C25 H31 N9 O9 -","- C50 H62 N18 O18 -","2","1","","Maity, Dilip Kumar; Paul, Rakesh Kumar; Desiraju, Gautam R.","Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties.","Molecular pharmaceutics","2020","","","","","10.1021/acs.molpharmaceut.0c00090","","","0.71073","MoKα","","0.2297","0.0841","","","0.1649","0.2207","","","","","","1.003","","","","has coordinates","259155","2020-11-17","00:44:58",""
"1559521","9.0795","0.0016","11.776","0.002","15.533","0.003","76.462","0.005","85.575","0.006","67.518","0.005","1491.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H33 N9 O9 -","- C26 H33 N9 O9 -","- C52 H66 N18 O18 -","2","1","","Maity, Dilip Kumar; Paul, Rakesh Kumar; Desiraju, Gautam R.","Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties.","Molecular pharmaceutics","2020","","","","","10.1021/acs.molpharmaceut.0c00090","","","0.71073","MoKα","","0.103","0.0653","","","0.1668","0.19","","","","","","1.029","","","","has coordinates","259155","2020-11-17","00:44:58",""
"1559522","8.792","0.002","11.802","0.003","15.632","0.004","99.371","0.007","94.665","0.007","110.431","0.008","1482.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 N8 O9 S -","- C24 H30 N8 O9 S -","- C48 H60 N16 O18 S2 -","2","1","","Maity, Dilip Kumar; Paul, Rakesh Kumar; Desiraju, Gautam R.","Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties.","Molecular pharmaceutics","2020","","","","","10.1021/acs.molpharmaceut.0c00090","","","0.71073","MoKα","","0.1122","0.0828","","","0.2205","0.2444","","","","","","1.034","","","","has coordinates","259155","2020-11-17","00:44:59",""
"1559523","8.8415","0.0018","11.5","0.002","16.199","0.003","104.54","0.007","90.368","0.006","111.782","0.008","1471.4","0.5","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N10 O8 -","- C26 H27 N10 O8 -","- C52 H54 N20 O16 -","2","1","","Maity, Dilip Kumar; Paul, Rakesh Kumar; Desiraju, Gautam R.","Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties.","Molecular pharmaceutics","2020","","","","","10.1021/acs.molpharmaceut.0c00090","","","0.71073","MoKα","","0.1229","0.0751","","","0.1876","0.2153","","","","","","1.029","","","","has coordinates","259155","2020-11-17","00:44:59",""
"1559524","11.713","0.003","15.643","0.003","16.597","0.004","76.759","0.005","73.876","0.005","80.486","0.006","2826.9","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24.5 H29.5 N8.5 O10 -","- C24.5 H29.5 N8.5 O10 -","- C98 H118 N34 O40 -","4","2","","Maity, Dilip Kumar; Paul, Rakesh Kumar; Desiraju, Gautam R.","Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties.","Molecular pharmaceutics","2020","","","","","10.1021/acs.molpharmaceut.0c00090","","","0.71073","MoKα","","0.189","0.0744","","","0.1426","0.1843","","","","","","0.995","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1559525","10.681","0.005","12.768","0.006","13.575","0.006","62.03","0.019","71.22","0.02","74.36","0.03","1532.3","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H34 N9 O10 -","- C28 H34 N9 O10 -","- C56 H68 N18 O20 -","2","1","","Maity, Dilip Kumar; Paul, Rakesh Kumar; Desiraju, Gautam R.","Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties.","Molecular pharmaceutics","2020","","","","","10.1021/acs.molpharmaceut.0c00090","","","0.71073","MoKα","","0.0924","0.0674","","","0.1783","0.2034","","","","","","1.09","","","","has coordinates","259155","2020-11-17","00:45:00",""
"1559529","16.2976","0.0008","6.1294","0.0002","12.2221","0.0006","90","","99.07","0.004","90","","1205.65","0.09","119.98","0.1","119.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(Naphthalen-2-yl)methyl]isothiouronium bromide","","- C12 H13 Br N2 S -","- C12 H13 Br N2 S -","- C48 H52 Br4 N8 S4 -","4","1","SJ4217","Eigner, Václav","Crystal structure of 2-[(naphthalen-2-yl)methyl]isothiouronium bromide","IUCrData","2020","5","11","x201511","","10.1107/S2414314620015114","","x-ray","1.54184","CuKα","","0.0424","0.0304","","","0.0757","0.0806","","","","1.26","1.26","1.18","","","","has coordinates,has Fobs","259164","2020-11-18","05:22:42",""
"1559534","6.2593","0.0014","11.449","0.003","12.078","0.003","90","","98.21","0.005","90","","856.7","0.4","299","2","299","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O -","- C20 H30 O -","- C40 H60 O2 -","2","1","","Klein Hendges, Ana Paula P.; Dos Santos, Elaine Fernanda; Teixeira, Sirlei D.; Santana, Francielli S.; Trezzi, Michelangelo M.; Batista, Andrea N. L.; Batista, Jr, Joao M; de Lima, Vanderlei A.; de Assis Marques, Francisco; Maia, Beatriz Helena L N Sales","Phytotoxic Neocassane Diterpenes from <i>Eragrostis plana</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00324","","","0.71073","MoKα","","0.0992","0.0839","","","0.2781","0.2904","","","","","","1.189","","","","has coordinates","259181","2020-11-19","00:12:37",""
"1559535","6.4025","0.0004","11.0913","0.0007","23.6652","0.0014","90","","90","","90","","1680.51","0.18","288","2","288","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Klein Hendges, Ana Paula P.; Dos Santos, Elaine Fernanda; Teixeira, Sirlei D.; Santana, Francielli S.; Trezzi, Michelangelo M.; Batista, Andrea N. L.; Batista, Jr, Joao M; de Lima, Vanderlei A.; de Assis Marques, Francisco; Maia, Beatriz Helena L N Sales","Phytotoxic Neocassane Diterpenes from <i>Eragrostis plana</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00324","","","0.71073","MoKα","","0.0548","0.0411","","","0.0941","0.1001","","","","","","1.062","","","","has coordinates","259182","2020-11-19","00:13:00",""
"1559541","25.348","0.002","7.3059","0.0005","19.347","0.001","90","","94.19","0.006","90","","3573.3","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(3,5-dinitrobenzoyl)-4-(2-methoxyphenyl)piperazine","","- C18 H18 N4 O6 -","- C18 H18 N4 O6 -","- C144 H144 N32 O48 -","8","1","TK4065","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","1-(3,5-Dinitrobenzoyl)-4-(2-methoxyphenyl)piperazine","IUCrData","2020","5","11","x201523","","10.1107/S2414314620015230","","","0.71073","MoKα","","0.0804","0.0469","","","0.0987","0.1127","","","","","","1.024","","","","has coordinates,has Fobs","259214","2020-11-21","05:37:01",""
"1559548","16.2421","0.0011","5.0967","0.0004","30.102","0.002","90","","90","","90","","2491.9","0.3","295","2","295.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H15 Br F N O -","- C13 H15 Br F N O -","- C104 H120 Br8 F8 N8 O8 -","8","2","","Leung, Joyce C.; Nguyen, Thach T.; Krawiec, Mariusz; Gao, Donghong A.; Reeves, Jonathan T.","Development of a Scalable Synthesis of trans-4-Fluorocyclohexylamine via Directed Hydrogenation","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00444","","x-ray","1.54178","CuKα","","0.0764","0.0758","","","0.1923","0.1928","","","","","","1.102","","","","has coordinates","259240","2020-11-25","00:50:03",""
"1559549","8.4257","0.0011","9.0522","0.0009","22.237","0.002","90","","98.303","0.012","90","","1678.3","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-Thia-1,5(1,3)-dibenzenacycloundecaphan-8-ene-6,11-dione 3,3-dioxide","","- C20 H18 O4 S -","- C20 H18 O4 S -","- C80 H72 O16 S4 -","4","1","BT4102","Kotha, Sambasivarao; Gupta, Naveen Kumar; Ansari, Saima","(<i>E</i>)-3-Thia-1,5(1,3)-dibenzenacycloundecaphan-8-ene-6,11-dione 3,3-dioxide","IUCrData","2020","5","11","x201464","","10.1107/S2414314620014649","","x-ray","0.71073","MoKα","","0.1286","0.0694","","","0.1261","0.1654","","","","","","1.042","","","","has coordinates,has Fobs","259246","2020-11-25","05:35:58",""
"1559553","12.0049","0.0008","17.7292","0.0012","35.641","0.002","90","","90","","90","","7585.7","0.8","173","2","173","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C39 H42 Br Cl N2 O6 S -","- C39 H42 Br Cl N2 O6 S -","- C312 H336 Br8 Cl8 N16 O48 S8 -","8","1","","St-Pierre, Gabrielle; Cherney, Alan H.; Chen, Wencan; Dong, Xiaofei; Dornan, Peter K.; Griffin, Daniel J.; Houk, K. N.; Lin, Janice B.; Osgood, Stephen; Silva Elipe, Maria V.; Timmons, Heath C.; Xie, Yong; Tedrow, Jason S.; Thiel, Oliver R.; Smith, Austin G.","Accelerated Development of a Scalable Ring-Closing Metathesis to Manufacture AMG 176 Using a Combined High-Throughput Experimentation and Computational Modeling Approach","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00416","","","0.71073","MoKα","","0.0778","0.0451","","","0.0827","0.0944","","","","","","1.005","","","","has coordinates","259254","2020-11-26","00:48:38",""
"1559576","7.86","0.003","10.439","0.004","11.713","0.005","76.236","0.014","73.653","0.013","68.852","0.012","850.1","0.6","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","4-Hydroxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptammonium chloride","<i>N</i>-[2-(4-Hydroxy-1<i>H</i>-indol-3-yl)ethyl]-<i>N</i>-propylpropan-1-aminium chloride","","- C16 H25 Cl N2 O -","- C16 H25 Cl N2 O -","- C32 H50 Cl2 N4 O2 -","2","1","SJ4218","Sammeta, Vamshikrishna Reddy; Rasapalli, Sivappa; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The hydrochloride salt of 4-hydroxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptamine (4-HO-DPT)","IUCrData","2020","5","11","x201546","","10.1107/S2414314620015461","","","0.71073","MoKα","","0.0617","0.0363","","","0.0955","0.1029","","","","","","1.029","","","","has coordinates,has Fobs","259273","2020-11-28","05:32:07",""
"1559577","10.5714","0.0003","18.1828","0.0006","20.589","0.0009","72.838","0.003","89.216","0.003","74.717","0.003","3638.8","0.2","93.15","","93.15","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H50 Au B N2 -","- C41 H50 Au B N2 -","- C164 H200 Au4 B4 N8 -","4","2","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0547","0.0431","","","0.123","0.1313","","","","","","1.054","","","","has coordinates,has disorder","267095","2021-07-05","16:58:05",""
"1559578","11.951","0.0003","12.9306","0.0003","18.7852","0.0006","96.941","0.002","104.913","0.003","104.703","0.002","2658.95","0.14","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H70 Au B N4 -","- C60 H70 Au B N4 -","- C120 H140 Au2 B2 N8 -","2","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0801","0.045","","","0.0948","0.1037","","","","","","0.988","","","","has coordinates,has disorder","267095","2021-07-05","16:58:05",""
"1559579","14.021","0.0002","17.7771","0.0003","17.7051","0.0003","90","","97.0981","0.0015","90","","4379.22","0.12","93","2","93","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H60 Au B N4 -","- C48 H60 Au B N4 -","- C192 H240 Au4 B4 N16 -","4","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0219","0.0195","","","0.042","0.0426","","","","","","1.043","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559580","12.3065","0.0001","17.99","0.0002","20.3257","0.0002","83.34","0.001","79.742","0.001","83.084","0.001","4375.21","0.08","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H59 Au B N3 -","- C50 H59 Au B N3 -","- C200 H236 Au4 B4 N12 -","4","2","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.052","0.0317","","","0.0559","0.0595","","","","","","1.001","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559581","11.5634","0.0003","12.8016","0.0004","18.2287","0.0005","86.266","0.002","72.324","0.002","83.521","0.002","2553.22","0.13","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H68 Au B N4 -","- C59 H68 Au B N4 -","- C118 H136 Au2 B2 N8 -","2","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0382","0.0287","","","0.0561","0.058","","","","","","1.022","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559582","10.7485","0.0002","22.6769","0.0004","19.5737","0.0004","90","","104.387","0.0019","90","","4621.34","0.16","93","2","93","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C102 H122 Au2 B2 Cl2 F2 N4 O2 -","- C102 H122 Au2 B2 Cl2 F2 N4 O2 -","- C204 H244 Au4 B4 Cl4 F4 N8 O4 -","2","0.5","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0345","0.0267","","","0.0557","0.0577","","","","","","1.051","","","","has coordinates,has disorder","267095","2021-07-05","16:58:05",""
"1559583","12.3058","0.0004","26.0004","0.0006","16.284","0.0003","90","","100.267","0.002","90","","5126.7","0.2","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H72 Au B N4 -","- C54 H72 Au B N4 -","- C216 H288 Au4 B4 N16 -","4","0.5","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0507","0.0411","","","0.0857","0.0887","","","","","","1.053","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559584","10.7603","0.0004","11.6039","0.0004","19.3138","0.0006","72.527","0.003","85.454","0.003","66.378","0.003","2105.21","0.14","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H55 Au B N3 -","- C46 H55 Au B N3 -","- C92 H110 Au2 B2 N6 -","2","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.051","0.0329","","","0.0614","0.0651","","","","","","0.968","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559585","11.8822","0.0004","12.58","0.0002","17.5818","0.0005","99.538","0.002","106.748","0.003","103.924","0.002","2363.27","0.13","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H62 Au B N2 O -","- C54 H62 Au B N2 O -","- C108 H124 Au2 B2 N4 O2 -","2","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0412","0.0336","","","0.0827","0.0857","","","","","","1.057","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559586","13.6039","0.0002","23.0648","0.0003","18.7378","0.0003","90","","105.489","0.002","90","","5665.85","0.15","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H78 Au B N4 O -","- C63 H78 Au B N4 O -","- C252 H312 Au4 B4 N16 O4 -","4","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0543","0.0344","","","0.0631","0.0675","","","","","","1.014","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559587","18.4407","0.0004","23.6412","0.0005","21.238","0.0005","90","","90","","90","","9258.9","0.4","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H60 Au B N2 O -","- C54 H60 Au B N2 O -","- C432 H480 Au8 B8 N16 O8 -","8","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0482","0.0303","","","0.053","0.057","","","","","","1.021","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559588","10.4618","0.0002","11.5106","0.0003","10.467","0.0002","90","","95.605","0.002","90","","1254.43","0.05","290","","290","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C44 H26 Au4 Fe2 N14 O4 -","2","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.0324","0.0247","","","0.0543","0.0571","","","","","","1.026","","","","has coordinates,has disorder","267062","2021-07-05","16:48:46",""
"1559589","12.0682","0.0004","16.9687","0.0004","11.4632","0.0003","90","","94.888","0.004","90","","2338.92","0.11","298","","298","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","DJV-444-desolv","- C16 H8 Au2 Fe N6 -","- C16 H8 Au2 Fe N6 -","- C64 H32 Au8 Fe4 N24 -","4","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","powder diffraction","","1.5406","CuKα~1~","","1.72335","","","","","","","","2.06458","","","","","","","has coordinates","267062","2021-07-05","16:48:46",""
"1559590","10.2342","0.0007","11.269","0.0008","10.2384","0.0007","90","0.006","92.665","0.005","90","0.006","1179.51","0.14","206","","206","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C44 H26 Au4 Fe2 N14 O4 -","2","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.1618","0.0416","","","0.0487","0.0706","","","","1.55","1.55","1.18","","","","has coordinates","267062","2021-07-05","16:48:46",""
"1559591","10.1143","0.0003","11.1281","0.0003","10.1146","0.0004","90","","91.745","0.003","90","","1137.9","0.06","15","","15","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C44 H26 Au4 Fe2 N14 O4 -","2","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.0587","0.037","","","0.0808","0.0913","","","","","","1.057","","","","has coordinates,has disorder","267062","2021-07-05","16:48:46",""
"1559592","10.3534","0.0003","11.3911","0.0003","10.3639","0.0003","90","","93.954","0.003","90","","1219.37","0.06","250","","250","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C44 H26 Au4 Fe2 N14 O4 -","2","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.0441","0.0287","","","0.0642","0.0707","","","","","","1.061","","","","has coordinates,has disorder","267062","2021-07-05","16:48:46",""
"1559593","14.1982","0.0002","22.6765","0.0003","14.9567","0.0002","90","","90.0258","0.0013","90","","4815.54","0.11","228","","228","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C176 H104 Au16 Fe8 N56 O16 -","8","1","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.048","0.03","","","0.0691","0.0779","","","","","","1.033","","","","has coordinates,has disorder","267062","2021-07-05","16:48:46",""
"1559594","10.115","0.0002","11.1318","0.0002","10.1239","0.0002","90","","91.852","0.002","90","","1139.34","0.04","140","","140","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C44 H26 Au4 Fe2 N14 O4 -","2","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.0349","0.0272","","","0.0625","0.066","","","","","","1.072","","","","has coordinates,has disorder","267062","2021-07-05","16:48:46",""
"1559595","10.4523","0.0005","11.4885","0.0004","10.5004","0.0004","90","","93.379","0.004","90","","1258.71","0.09","15","","15","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C44 H26 Au4 Fe2 N14 O4 -","2","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.0548","0.0359","","","0.0687","0.0775","","","","","","1.074","","","","has coordinates,has disorder","267062","2021-07-05","16:48:46",""
"1559596","12.6609","0.0005","23.0055","0.0009","12.7568","0.0005","90","","109.44","0.001","90","","3503.8","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H126 Ce2 O6 Si6 -","- C54 H126 Ce2 O6 Si6 -","- C108 H252 Ce4 O12 Si12 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0329","0.0256","","","0.0595","0.0631","","","","","","1.039","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559597","10.868","0.0016","16.755","0.002","20.149","0.003","90","","90.235","0.004","90","","3669","0.9","150","","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H108 Ce2 Cl4 N6 O2 Si12 -","- C42 H108 Ce2 Cl4 N6 O2 Si12 -","- C84 H216 Ce4 Cl8 N12 O4 Si24 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0773","0.0488","","","0.0856","0.0949","","","","","","1.034","","","","has coordinates","267066","2021-07-05","16:50:14",""
"1559598","11.4339","0.0009","12.0881","0.001","17.5236","0.0014","83.3194","0.0013","71.7094","0.0012","63.9637","0.0011","2065.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H136 Ce2 N6 O2 Si12 -","- C57 H136 Ce2 N6 O2 Si12 -","- C57 H136 Ce2 N6 O2 Si12 -","1","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0462","0.0316","","","0.0631","0.0677","","","","","","1.004","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559599","11.859","0.0014","14.7713","0.0018","19.126","0.002","79.676","0.002","76.075","0.002","81.398","0.002","3179.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H84 Ce2 N8 O9 -","- C68 H84 Ce2 N8 O9 -","- C136 H168 Ce4 N16 O18 -","2","1","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0824","0.0442","","","0.0883","0.1024","","","","","","0.996","","","","has coordinates","267066","2021-07-05","16:50:14",""
"1559600","11.7195","0.0004","18.0849","0.0007","21.3488","0.0008","90","","95.3481","0.0015","90","","4505.1","0.3","100.15","","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H142 Ce2 N12 O4 -","- C84 H142 Ce2 N12 O4 -","- C168 H284 Ce4 N24 O8 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0652","0.0417","","","0.0687","0.0749","","","","","","1.071","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559601","18.228","0.005","17.588","0.004","28.531","0.007","90","","102.369","0.004","90","","8935","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H142 Ce2 Cl2 N2 O10 Si6 -","- C70 H142 Ce2 Cl2 N2 O10 Si6 -","- C280 H568 Ce8 Cl8 N8 O40 Si24 -","4","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0544","0.0459","","","0.12","0.1268","","","","","","1.096","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559602","11.29","0.04","22.03","0.07","17.25","0.07","90","","96.25","0.011","90","","4265","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H140 Ce2 O12 Si4 -","- C72 H140 Ce2 O12 Si4 -","- C144 H280 Ce4 O24 Si8 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0723","0.0502","","","0.0878","0.096","","","","","","1.1","","","","has coordinates","267066","2021-07-05","16:50:14",""
"1559603","24.8116","0.0011","21.794","0.001","17.4764","0.0008","90","","116.659","0.001","90","","8445.6","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H108 Ce2 Cl2 N8 O2 Si12 -","- C44 H108 Ce2 Cl2 N8 O2 Si12 -","- C176 H432 Ce8 Cl8 N32 O8 Si48 -","4","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0382","0.0289","","","0.0647","0.0688","","","","","","1.037","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559604","20.8578","0.001","24.2951","0.001","11.7354","0.0005","90","","94.4068","0.0011","90","","5929.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H196 Ce2 O28 Si4 -","- C100 H196 Ce2 O28 Si4 -","- C200 H392 Ce4 O56 Si8 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.1063","0.0539","","","0.0834","0.1005","","","","","","1.064","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559605","24.645","0.006","22.211","0.006","17.381","0.004","90","","116.237","0.003","90","","8534","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H120 Ce2 N6 O2 Si12 -","- C46 H120 Ce2 N6 O2 Si12 -","- C184 H480 Ce8 N24 O8 Si48 -","4","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.1174","0.0625","","","0.1288","0.1511","","","","","","1.09","","","","has coordinates","267066","2021-07-05","16:50:14",""
"1559606","12.7863","0.0016","18.594","0.002","18.631","0.002","102.525","0.0019","90.9634","0.0018","93.3308","0.0018","4314.8","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H103 Ce3 N18 O5 -","- C91 H103 Ce3 N18 O5 -","- C182 H206 Ce6 N36 O10 -","2","1","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0743","0.041","","","0.0671","0.0759","","","","","","0.968","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559607","11.2124","0.001","12.5614","0.0011","34.289","0.003","90","","97.212","0.002","90","","4791.2","0.7","101","2","101","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H158 Ce2 Cl4 O12 Si6 -","- C76 H158 Ce2 Cl4 O12 Si6 -","- C152 H316 Ce4 Cl8 O24 Si12 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0702","0.0403","","","0.0708","0.0801","","","","","","1.015","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559608","11.655","0.002","12.402","0.002","17.499","0.003","92.596","0.003","93.946","0.003","114.855","0.003","2282","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H162 Ce2 O10 Si6 -","- C76 H162 Ce2 O10 Si6 -","- C76 H162 Ce2 O10 Si6 -","1","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0573","0.0452","","","0.0883","0.0934","","","","","","1.027","","","","has coordinates","267066","2021-07-05","16:50:14",""
"1559609","13.7919","0.0011","14.0585","0.0012","20.0654","0.0016","71.904","0.002","81.904","0.002","60.636","0.002","3222.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C97.07 H204.13 Ce2 O30 Si6 -","- C97.05 H204.1 Ce2 O30 Si6 -","- C97.05 H204.1 Ce2 O30 Si6 -","1","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0327","0.0269","","","0.0649","0.0681","","","","","","1.021","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559610","11.7272","0.0006","20.2947","0.001","21.6422","0.0011","90","","99.99","0.001","90","","5072.7","0.4","100","2","100","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C66 H132 Ce2 Co2 D8 N6 O3 Si12 -","- C66 H132 Ce2 Co2 D8 N6 O3 Si12 -","- C132 H264 Ce4 Co4 D16 N12 O6 Si24 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0605","0.0395","","","0.0776","0.0863","","","","","","1.01","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559611","22.1584","0.0019","41.418","0.004","13.425","0.0012","90","","90","","90","","12320.9","1.9","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C90 H186 Ce2 Cl4 O29 Si6 -","- C90 H186 Ce2 Cl4 O29 Si6 -","- C360 H744 Ce8 Cl16 O116 Si24 -","4","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0663","0.0527","","","0.1203","0.128","","","","","","1.108","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559612","9.8347","0.0004","12.6226","0.0005","12.8064","0.0006","118.576","0.001","101.423","0.001","94.672","0.001","1339.49","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H84 N2 O4 -","- C62 H84 N2 O4 -","- C62 H84 N2 O4 -","1","0.5","","Rausch, Rodger; Röhr, Merle I S; Schmidt, David; Krummenacher, Ivo; Braunschweig, Holger; Würthner, Frank","Tuning phenoxyl-substituted diketopyrrolopyrroles from quinoidal to biradical ground states through (hetero-)aromatic linkers.","Chemical science","2020","12","2","793","802","10.1039/d0sc05475e","","","1.54178","CuKα","","0.0492","0.0464","","","0.1195","0.122","","","","","","1.041","","","","has coordinates,has disorder","267071","2021-07-05","16:51:05",""
"1559613","15.3311","0.0016","23.844","0.003","15.4674","0.0016","90","","95.515","0.003","90","","5628","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H86 N2 O8 -","- C60 H86 N2 O8 -","- C240 H344 N8 O32 -","4","1","","Rausch, Rodger; Röhr, Merle I S; Schmidt, David; Krummenacher, Ivo; Braunschweig, Holger; Würthner, Frank","Tuning phenoxyl-substituted diketopyrrolopyrroles from quinoidal to biradical ground states through (hetero-)aromatic linkers.","Chemical science","2020","12","2","793","802","10.1039/d0sc05475e","","","0.71073","MoKα","","0.086","0.0591","","","0.1454","0.1599","","","","","","1.037","","","","has coordinates,has disorder","267071","2021-07-05","16:51:16",""
"1559615","17.0085","0.0011","9.896","0.0007","10.5439","0.0007","90","","92.8684","0.0019","90","","1772.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O3 S -","- C19 H22 N2 O3 S -","- C76 H88 N8 O12 S4 -","4","1","","Liang, Weida; Cai, Xinpei; Dai, Mingji","Cu-catalyzed hydroxycyclopropanol ring-opening cyclization to tetrahydrofurans and tetrahydropyrans: short total syntheses of hyperiones.","Chemical science","2020","12","4","1311","1316","10.1039/d0sc05556e","","","1.54178","CuKα","","0.0437","0.042","","","0.1221","0.1241","","","","","","1.193","","","","has coordinates,has disorder","267063","2021-07-05","16:48:54",""
"1559616","9.44906","0.00012","9.44906","0.00012","9.44906","0.00012","90","","90","","90","","843.657","0.019","298","","298","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Bi K3 S3 -","- Bi K3 S3 -","- Bi4 K12 S12 -","4","0.333333","","McClain, Rebecca; Malliakas, Christos D.; Shen, Jiahong; He, Jiangang; Wolverton, Chris; González, Gabriela B; Kanatzidis, Mercouri G.","Mechanistic insight of KBiQ<sub>2</sub> (Q = S, Se) using panoramic synthesis towards synthesis-by-design.","Chemical science","2020","12","4","1378","1391","10.1039/d0sc04562d","powder diffraction","x-ray","1.54056","CuKα","","0.0635","0.0624","","0.0833","0.0832","","","","1.53","","","","","","","has coordinates","267065","2021-07-05","16:49:34",""
"1559617","4.128802","0.000013","4.128802","0.000013","22.09041","0.00012","90","","90","","120","","326.124","0.002","293","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Bi K S2 -","- Bi K S2 -","- Bi3 K3 S6 -","3","0.0833333","","McClain, Rebecca; Malliakas, Christos D.; Shen, Jiahong; He, Jiangang; Wolverton, Chris; González, Gabriela B; Kanatzidis, Mercouri G.","Mechanistic insight of KBiQ<sub>2</sub> (Q = S, Se) using panoramic synthesis towards synthesis-by-design.","Chemical science","2020","12","4","1378","1391","10.1039/d0sc04562d","powder diffraction","x-ray","0.45777","Synchrotron","","0.0204","0.0204","","0.0249","0.0249","","","","1.23","","","","","","","has coordinates","267065","2021-07-05","16:49:34",""
"1559618","4.264423","0.000014","4.264423","0.000014","23.02901","0.00014","90","","90","","120","","362.682","0.003","298","","298","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","KBiSe2","","- Bi K Se2 -","- Bi K Se2 -","- Bi3 K3 Se6 -","3","0.0833333","","McClain, Rebecca; Malliakas, Christos D.; Shen, Jiahong; He, Jiangang; Wolverton, Chris; González, Gabriela B; Kanatzidis, Mercouri G.","Mechanistic insight of KBiQ<sub>2</sub> (Q = S, Se) using panoramic synthesis towards synthesis-by-design.","Chemical science","2020","12","4","1378","1391","10.1039/d0sc04562d","powder diffraction","x-ray","0.41283","Synchrotron","","0.0269","0.0263","","0.0287","0.0287","","","","1.1","","","","","","","has coordinates","267065","2021-07-05","16:49:34",""
"1559619","4.7962","0.0004","16.1392","0.0014","15.9437","0.0013","90","","90","","90","","1234.15","0.18","276","2","276","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C56 H44 N4 O8 S4 -","4","1","","Chen, Pu; Nan, Jiang; Hu, Yan; Kang, Yifan; Wang, Bo; Ma, Yangmin; Szostak, Michal","Metal-free tandem carbene N-H insertions and C-C bond cleavages.","Chemical science","2020","12","2","803","811","10.1039/d0sc05763k","","","0.71073","MoKα","","0.2812","0.0749","","","0.0988","0.1368","","","","","","0.929","","","","has coordinates","267073","2021-07-05","16:51:28",""
"1559620","12.394","0.0009","14.5843","0.0005","19.472","0.0007","90","","107.233","0.004","90","","3361.7","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.78229","Synchrotron","","0.1727","0.0779","","","0.1738","0.2467","","","","","","1.052","","","","has coordinates,has disorder","259338","2020-11-30","02:04:43",""
"1559621","12.2772","0.0005","14.5882","0.0006","36.9888","0.0015","90","","91.924","0.007","90","","6621","0.5","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","4","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.0736","0.0601","","","0.1619","0.1709","","","","","","1.071","","","","has coordinates,has disorder","259338","2020-11-30","02:04:44",""
"1559622","12.3036","0.0005","14.6207","0.0006","19.2792","0.0008","90","","106.497","0.008","90","","3325.3","0.3","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.0605","0.0584","","","0.1591","0.1616","","","","","","1.046","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559623","12.131","0.011","14.308","0.012","36.28","0.03","90","","91.678","0.007","90","","6294","9","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","4","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4146","synchrotron","","0.1721","0.0777","","","0.2186","0.2743","","","","","","0.996","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559624","12.1827","0.0003","14.5714","0.0003","36.9401","0.0009","90","","91.847","0.007","90","","6554.2","0.3","20","2","20","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","4","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.0376","0.0363","","","0.0896","0.0905","","","","","","1.017","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559625","12.1462","0.0004","14.4267","0.0005","37.4462","0.0013","90","","90","","90","","6561.7","0.4","20","2","20","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.066","0.0567","","","0.1358","0.1424","","","","","","1.052","","","","has coordinates","259338","2020-11-30","02:04:45",""
"1559626","12.3769","0.0005","14.622","0.0006","19.3798","0.0008","90","","106.751","0.007","90","","3358.4","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4146","synchrotron","","0.0561","0.0516","","","0.1397","0.1447","","","","","","1.066","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559627","12.457","0.003","14.737","0.003","19.461","0.004","90","","107.079","0.008","90","","3415.1","1.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4146","synchrotron","","0.0798","0.0597","","","0.1591","0.1726","","","","","","1.049","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559628","13.253","0.003","13.253","0.003","19.0733","0.0018","90","","90","","90","","3350.1","1.1","173","2","173","2","","","","","","","","6","P 43","P 4cw","78","","","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","1","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4268","synchrotron","","0.0956","0.0889","","","0.27","0.2797","","","","","","1.102","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559629","12.366","0.0005","14.6509","0.0006","19.3318","0.0009","90","","106.695","0.008","90","","3354.8","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.0682","0.0642","","","0.1909","0.1956","","","","","","1.065","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559630","12.3394","0.0016","14.4779","0.0018","37.612","0.005","90","","90","","90","","6719.3","1.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.1438","0.0813","","","0.1947","0.2292","","","","","","1.026","","","","has coordinates","259338","2020-11-30","02:04:45",""
"1559631","12.3376","0.0006","14.6395","0.0007","19.3056","0.001","90","","106.583","0.008","90","","3341.9","0.3","140","2","140","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.0614","0.0588","","","0.1682","0.1712","","","","","","1.051","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559632","12.301","0.0009","14.4564","0.001","37.499","0.003","90","","90","","90","","6668.4","0.9","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.1441","0.09","","","0.2276","0.2656","","","","","","1.035","","","","has coordinates","259338","2020-11-30","02:04:45",""
"1559633","12.2172","0.0003","14.5659","0.0004","36.9576","0.001","90","","91.839","0.007","90","","6573.4","0.3","60","2","60","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","4","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.0508","0.0482","","","0.1188","0.1208","","","","","","1.018","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559634","12.2859","0.0008","14.4505","0.0009","37.464","0.002","90","","90","","90","","6651.3","0.7","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.1493","0.0978","","","0.2501","0.2896","","","","","","1.03","","","","has coordinates","259338","2020-11-30","02:04:45",""
"1559635","10.14023","0.00008","15.89219","0.0001","18.23835","0.00015","90","","105.522","0.0008","90","","2831.92","0.04","180.01","0.1","180.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 N4 O5 S -","- C31 H30 N4 O5 S -","- C124 H120 N16 O20 S4 -","4","1","","Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme","Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.","Chemical science","2020","12","4","1479","1485","10.1039/d0sc05725h","","x-ray","1.54184","CuKα","","0.0438","0.0409","","","0.1056","0.1083","","","","","","1.066","","","","has coordinates,has disorder","267068","2021-07-05","16:50:34",""
"1559636","18.90952","0.00014","10.14583","0.00006","28.4275","0.0002","90","","93.3559","0.0007","90","","5444.54","0.06","180","0.1","180","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H33 N3 O2 S -","- C32 H33 N3 O2 S -","- C256 H264 N24 O16 S8 -","8","1","","Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme","Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.","Chemical science","2020","12","4","1479","1485","10.1039/d0sc05725h","","x-ray","1.54184","CuKα","","0.0372","0.0348","","","0.0905","0.0926","","","","","","1.071","","","","has coordinates,has disorder","267068","2021-07-05","16:50:34",""
"1559637","10.9678","0.0003","15.3212","0.0004","17.9064","0.0005","111.225","0.003","98.183","0.003","98.485","0.003","2710.92","0.15","180.01","0.1","180.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 N3 O2 S -","- C32 H33 N3 O2 S -","- C128 H132 N12 O8 S4 -","4","2","","Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme","Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.","Chemical science","2020","12","4","1479","1485","10.1039/d0sc05725h","","x-ray","1.54184","CuKα","","0.048","0.0381","","","0.0989","0.1064","","","","","","1.034","","","","has coordinates","267068","2021-07-05","16:50:34",""
"1559638","18.50216","0.00012","21.27952","0.00014","10.92519","0.00007","90","","90","","90","","4301.43","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C26 H25 N3 O2 -","- C26 H25 N3 O2 -","- C208 H200 N24 O16 -","8","1","","Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme","Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.","Chemical science","2020","12","4","1479","1485","10.1039/d0sc05725h","","x-ray","1.54184","CuKα","","0.0289","0.028","","","0.0713","0.072","","","","","","1.048","","","","has coordinates,has disorder","267068","2021-07-05","16:50:34",""
"1559639","21.3021","0.001","7.7181","0.0004","23.5444","0.0012","90","","90","","90","","3871","0.3","180.01","0.1","180.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H24 N2 -","- C25 H24 N2 -","- C200 H192 N16 -","8","1","","Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme","Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.","Chemical science","2020","12","4","1479","1485","10.1039/d0sc05725h","","x-ray","1.54184","CuKα","","0.0881","0.0549","","","0.1293","0.1547","","","","","","1.027","","","","has coordinates","267068","2021-07-05","16:50:34",""
"1559640","9.2787","0.0005","14.567","0.0009","28.3208","0.0018","90","","96.297","0.002","90","","3804.8","0.4","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H33 Cl2 N O -","- C52 H33 Cl2 N O -","- C208 H132 Cl8 N4 O4 -","4","1","","Wu, Lin; Wang, Kai; Wang, Cheng; Fan, Xiao-Chun; Shi, Yi-Zhong; Zhang, Xiang; Zhang, Shao-Li; Ye, Jun; Zheng, Cai-Jun; Li, Yan-Qing; Yu, Jia; Ou, Xue-Mei; Zhang, Xiao-Hong","Using fluorene to lock electronically active moieties in thermally activated delayed fluorescence emitters for high-performance non-doped organic light-emitting diodes with suppressed roll-off.","Chemical science","2020","12","4","1495","1502","10.1039/d0sc05631f","","","0.71073","MoKα","","0.1699","0.0875","","","0.2025","0.2503","","","","","","1.018","","","","has coordinates","267064","2021-07-05","16:49:03",""
"1559641","12.0934","0.0006","13.1272","0.0007","13.4509","0.0007","118.019","0.001","90.255","0.002","105.741","0.002","1792.4","0.16","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H33 N O -","- C51 H33 N O -","- C102 H66 N2 O2 -","2","1","","Wu, Lin; Wang, Kai; Wang, Cheng; Fan, Xiao-Chun; Shi, Yi-Zhong; Zhang, Xiang; Zhang, Shao-Li; Ye, Jun; Zheng, Cai-Jun; Li, Yan-Qing; Yu, Jia; Ou, Xue-Mei; Zhang, Xiao-Hong","Using fluorene to lock electronically active moieties in thermally activated delayed fluorescence emitters for high-performance non-doped organic light-emitting diodes with suppressed roll-off.","Chemical science","2020","12","4","1495","1502","10.1039/d0sc05631f","","x-ray","0.71073","MoKα","","0.0649","0.0454","","","0.1109","0.1225","","","","","","1.027","","","","has coordinates","267064","2021-07-05","16:49:04",""
"1559642","10.01048","0.00019","13.6732","0.0003","17.5596","0.0003","73.5259","0.0018","85.7741","0.0015","69.1588","0.0018","2153.01","0.08","239.9","0.2","239.9","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.0405","0.0328","","","0.0784","0.0836","","","","","","1.047","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559643","13.5851","0.0009","18.7551","0.0009","19.6424","0.0008","64.608","0.003","71.048","0.004","71.168","0.004","4176.3","0.4","50","1","50","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C160 H164 Fe4 N52 O56 -","4","2","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","1.4547","neutrons","","0.0854","0.0759","","","0.2188","0.2358","","","","","","1.172","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559644","9.99242","0.00016","13.64829","0.00017","17.4977","0.0003","73.5796","0.0013","85.7654","0.0013","69.0385","0.0013","2136.52","0.06","210","0.14","210","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.035","0.0298","","","0.0719","0.0757","","","","","","1.037","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559645","9.9614","0.0018","13.577","0.003","17.271","0.003","103.019","0.008","94.103","0.008","111.28","0.007","2090.2","0.7","50","1","50","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.0993","0.0482","","","0.1017","0.1156","","","","","","1.035","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559646","9.9719","0.0003","13.5419","0.0004","17.0957","0.0005","76.716","0.002","85.858","0.002","110.386","0.002","2076.54","0.11","50","1","50","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","1.4547","neutrons","","0.0717","0.0689","","","0.1862","0.19","","","","","","1.109","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559647","9.9677","0.0004","13.5502","0.0005","17.0822","0.0005","76.876","0.002","85.729","0.002","110.376","0.002","2076.34","0.13","95","1","95","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","1.4551","neutrons","","0.0571","0.0523","","","0.1358","0.14","","","","","","1.133","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559648","9.9726","0.0003","13.6198","0.0004","17.4815","0.0005","73.5194","0.0017","85.7393","0.0018","69.1085","0.0018","2126.23","0.11","240","1","240","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","1.4551","neutrons","","0.0566","0.05","","","0.1285","0.1336","","","","","","1.12","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559649","9.9402","0.0013","13.5461","0.0019","17.384","0.002","73.959","0.006","85.95","0.005","68.735","0.005","2095.3","0.5","50","1","50","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.0803","0.046","","","0.0999","0.1114","","","","","","1.035","","","","has coordinates,has disorder","267097","2021-07-05","16:58:32",""
"1559650","10.008","0.004","13.653","0.007","17.13","0.006","76.955","0.014","85.823","0.012","110.551","0.014","2105.2","1.6","95","1","95","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.1224","0.0632","","","0.1379","0.1659","","","","","","0.931","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559651","13.5877","0.0003","18.7535","0.0005","19.6264","0.0005","64.662","0.002","71.098","0.002","71.086","0.002","4174.4","0.2","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C160 H164 Fe4 N52 O56 -","4","2","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","1.4551","neutrons","","0.075","0.0627","","","0.1761","0.1884","","","","","","1.114","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559652","9.9953","0.0003","13.6057","0.0002","17.1602","0.0003","76.844","0.0016","85.77","0.002","110.502","0.003","2098.13","0.09","94.9","0.2","94.9","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.066","0.0461","","","0.0931","0.1072","","","","","","1.048","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559653","13.63358","0.00018","18.8075","0.0002","19.6686","0.0002","64.7142","0.0013","71.0809","0.0012","71.0628","0.0012","4210.47","0.1","120","0.14","120","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C160 H164 Fe4 N52 O56 -","4","2","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.0473","0.0384","","","0.1026","0.1125","","","","","","1.045","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559654","13.1243","0.0003","15.2075","0.0003","16.3433","0.0003","90","","90","","90","","3261.92","0.12","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H53 N O3 Si -","- C31 H53 N O3 Si -","- C124 H212 N4 O12 Si4 -","4","1","","Homma, Chihiro; Takeshima, Aika; Kano, Taichi; Maruoka, Keiji","Construction of chiral α-<i>tert</i>-amine scaffolds <i>via</i> amine-catalyzed asymmetric Mannich reactions of alkyl-substituted ketimines.","Chemical science","2020","12","4","1445","1450","10.1039/d0sc05269h","","","0.71073","MoKα","","0.0295","0.0275","","","0.0667","0.068","","","","","","1.04","","","","has coordinates","267060","2021-07-05","16:48:26",""
"1559655","8.047","0.006","11.508","0.007","14.43","0.009","90","","90.23","0.04","90","","1336.3","1.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","","Gollapelli, Krishna Kumar; Patil, Vaibhav B.; Vinaykumar, Allam; Chegondi, Rambabu","Rh(i)-catalyzed stereoselective desymmetrization of prochiral cyclohexadienones <i>via</i> highly <i>exo</i>-selective Huisgen-type [3 + 2] cycloaddition.","Chemical science","2020","12","4","1544","1550","10.1039/d0sc05543c","","","0.71073","MoKα","","0.0693","0.0484","","","0.1124","0.1241","","","","","","1.052","","","","has coordinates","267061","2021-07-05","16:48:31",""
"1559656","10.081","0.004","24.946","0.008","11.246","0.004","90","","107.46","0.01","90","","2697.8","1.7","300","2","300","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","1RT","","- C51 H52 Dy N5 O8 P2 S3 -","- C51 H52 Dy N5 O8 P2 S3 -","- C102 H104 Dy2 N10 O16 P4 S6 -","2","0.5","","Huang, Xin-Da; Wen, Ge-Hua; Bao, Song-Song; Jia, Jia-Ge; Zheng, Li-Min","Thermo- and light-triggered reversible interconversion of dysprosium-anthracene complexes and their responsive optical, magnetic and dielectric properties.","Chemical science","2020","12","3","929","937","10.1039/d0sc04851h","","","0.71073","MoKα","","0.0592","0.0456","","","0.1112","0.1201","","","","","","1.048","","","","has coordinates,has disorder","267096","2021-07-05","16:58:13",""
"1559657","9.592","0.014","11.701","0.019","26.2","0.04","90.03","0.07","91.86","0.04","112.38","0.07","2717","7","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","1LT","","- C51 H52 Dy N5 O8 P2 S3 -","- C51 H52 Dy N5 O8 P2 S3 -","- C102 H104 Dy2 N10 O16 P4 S6 -","2","1","","Huang, Xin-Da; Wen, Ge-Hua; Bao, Song-Song; Jia, Jia-Ge; Zheng, Li-Min","Thermo- and light-triggered reversible interconversion of dysprosium-anthracene complexes and their responsive optical, magnetic and dielectric properties.","Chemical science","2020","12","3","929","937","10.1039/d0sc04851h","","","0.71073","MoKα","","0.1557","0.1088","","","0.2531","0.2777","","","","","","1.087","","","","has coordinates","267096","2021-07-05","16:58:13",""
"1559664","12.0065","0.0003","12.0065","0.0003","23.9165","0.0007","90","","90","","90","","3447.71","0.16","150","2","150","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- In Li3 P2 -","- In Li3 P2 -","- In32 Li96 P64 -","32","1","","Restle, Tassilo M. F.; Deringer, Volker L.; Meyer, Jan; Raudaschl-Sieber, Gabriele; Fässler, Thomas F","Supertetrahedral polyanionic network in the first lithium phosphidoindate Li<sub>3</sub>InP<sub>2</sub> - structural similarity to Li<sub>2</sub>SiP<sub>2</sub> and Li<sub>2</sub>GeP<sub>2</sub> and dissimilarity to Li<sub>3</sub>AlP<sub>2</sub> and Li<sub>3</sub>GaP<sub>2</sub>.","Chemical science","2020","12","4","1278","1285","10.1039/d0sc05851c","","","0.71073","MoKα","","0.0212","0.0143","","","0.0302","0.0316","","","","","","1.023","","","","has coordinates","267067","2021-07-05","16:50:22",""
"1559665","14.029","0.002","9.9593","0.0019","20.562","0.003","90","","92.648","0.004","90","","2869.8","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 B11 P -","- C26 H30 B11 P -","- C104 H120 B44 P4 -","4","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.1142","0.0636","","","0.1547","0.1891","","","","","","1.021","","","","has coordinates","267058","2021-07-05","16:46:25",""
"1559666","14.553","0.003","14.829","0.003","15.99","0.003","69.051","0.004","79.173","0.004","70.065","0.004","3021","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H75 B11 N3 P -","- C62 H75 B11 N3 P -","- C124 H150 B22 N6 P2 -","2","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.1799","0.0874","","","0.1997","0.2546","","","","","","0.973","","","","has coordinates","267058","2021-07-05","16:46:34",""
"1559667","11.524","0.003","14.772","0.004","20.643","0.006","77.743","0.005","77.242","0.005","71.242","0.005","3207.1","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H67 B11 N3 P -","- C58 H67 B11 N3 P -","- C116 H134 B22 N6 P2 -","2","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.1573","0.0834","","","0.2171","0.2503","","","","","","0.842","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1559668","11.512","0.0013","22.661","0.003","14.8847","0.0017","90","","95.426","0.003","90","","3865.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H41 B11 N P -","- C36 H41 B11 N P -","- C144 H164 B44 N4 P4 -","4","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.11","0.0666","","","0.1595","0.1769","","","","","","0.893","","","","has coordinates","267058","2021-07-05","16:46:48",""
"1559669","13.061","0.002","13.363","0.003","17.006","0.003","91.902","0.003","112.387","0.003","107.918","0.003","2572.9","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H65 B11 N O2 P -","- C54 H65 B11 N O2 P -","- C108 H130 B22 N2 O4 P2 -","2","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.1132","0.0694","","","0.1709","0.2048","","","","","","1.016","","","","has coordinates","267058","2021-07-05","16:46:50",""
"1559670","15.0697","0.0018","14.0752","0.0018","29.446","0.004","90","","98.86","0.003","90","","6171.2","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H63 B11 N3 P -","- C56 H63 B11 N3 P -","- C224 H252 B44 N12 P4 -","4","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.2351","0.0822","","","0.1756","0.2483","","","","","","0.917","","","","has coordinates","267058","2021-07-05","16:46:50",""
"1559671","12.189","0.006","21.845","0.011","22.102","0.011","90","","102.623","0.009","90","","5743","5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H55 B11 N O2 P -","- C51 H55 B11 N O2 P -","- C204 H220 B44 N4 O8 P4 -","4","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.1552","0.0934","","","0.2261","0.2548","","","","","","0.902","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1559672","14.84","0.002","15.233","0.002","17.153","0.002","78.44","0.003","77.68","0.003","74.344","0.003","3605.4","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H91 B11 N3 O2 P -","- C78 H91 B11 N3 O2 P -","- C156 H182 B22 N6 O4 P2 -","2","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.1698","0.0801","","","0.1759","0.2231","","","","","","0.99","","","","has coordinates,has disorder","267058","2021-07-05","16:46:50",""
"1559673","5.0451","0.0001","13.6147","0.0003","15.6358","0.0003","90","","93.956","0.002","90","","1071.43","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Palani, Vignesh; Perea, Melecio A.; Gardner, Kristen E.; Sarpong, Richmond","A pyrone remodeling strategy to access diverse heterocycles: application to the synthesis of fascaplysin natural products.","Chemical science","2020","12","4","1528","1534","10.1039/d0sc06317g","","","1.54184","CuKα","","0.0573","0.0561","","","0.165","0.1667","","","","","","1.071","","","","has coordinates","267069","2021-07-05","16:50:41",""
"1559674","8.6415","0.0001","14.2584","0.0003","9.2288","0.0002","90","","97.831","0.002","90","","1126.51","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C56 H40 Cl4 N4 O8 -","4","1","","Palani, Vignesh; Perea, Melecio A.; Gardner, Kristen E.; Sarpong, Richmond","A pyrone remodeling strategy to access diverse heterocycles: application to the synthesis of fascaplysin natural products.","Chemical science","2020","12","4","1528","1534","10.1039/d0sc06317g","","","1.54184","CuKα","","0.0379","0.035","","","0.0951","0.0971","","","","","","1.064","","","","has coordinates","267069","2021-07-05","16:50:41",""
"1559675","10.184","0.0003","11.0563","0.0003","14.3733","0.0003","69.266","0.002","87.583","0.002","89.765","0.002","1512.13","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N O2 -","- C21 H15 N O2 -","- C84 H60 N4 O8 -","4","2","","Palani, Vignesh; Perea, Melecio A.; Gardner, Kristen E.; Sarpong, Richmond","A pyrone remodeling strategy to access diverse heterocycles: application to the synthesis of fascaplysin natural products.","Chemical science","2020","12","4","1528","1534","10.1039/d0sc06317g","","","1.54184","CuKα","","0.039","0.0366","","","0.0924","0.0941","","","","","","1.038","","","","has coordinates","267069","2021-07-05","16:50:41",""
"1559689","12.151","0.007","13.362","0.008","16.11","0.01","111.747","0.01","92.86","0.01","113.294","0.009","2172","2","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H56.67 Cu F2 N6 O13.34 -","- C38 H56.6666 Cu F2 N6 O13.3333 -","- C76 H113.333 Cu2 F4 N12 O26.6666 -","2","1","","Guo, Rui-Feng; Yan, Hou-Tian; Liu, Rui-Xue; Li, Hong-Chang; Liu, Yan-Cheng; Chen, Zhen-Feng; Liang, Hong","Structural characterization and pharmacological assessment <i>in vitro</i>/<i>in vivo</i> of a new copper(II)-based derivative of enrofloxacin.","Metallomics : integrated biometal science","2020","12","12","2145","2160","10.1039/d0mt00155d","","","0.71073","MoKα","","0.1047","0.0576","","","0.1573","0.1893","","","","","","0.989","","","","has coordinates","260800","2021-01-07","06:43:45",""
"1559690","9.1549","0.0001","17.1711","0.0001","21.808","0.0001","90","","90","","90","","3428.21","0.05","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H50 O11 -","- C37 H50 O11 -","- C148 H200 O44 -","4","1","","Song, Min; Zhang, Jian; Chan, Ging; Hou, Ying; Chen, Xiu-Ping; Zhang, Xiao-Qi; Ye, Wen-Cai; Zhang, Qing-Wen","Bioactive Limonoids and Triterpenoids from the Fruits of <i>Melia azedarach</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b01151","","x-ray","1.54184","CuKα","","0.0319","0.0314","","","0.082","0.0826","","","","","","1.05","","","","has coordinates","259417","2020-12-02","00:11:44",""
"1559691","13.757","0.0001","15.5959","0.0001","16.8013","0.0002","90","","90","","90","","3604.77","0.06","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C39 H50 O12 -","- C39 H50 O12 -","- C156 H200 O48 -","4","1","","Song, Min; Zhang, Jian; Chan, Ging; Hou, Ying; Chen, Xiu-Ping; Zhang, Xiao-Qi; Ye, Wen-Cai; Zhang, Qing-Wen","Bioactive Limonoids and Triterpenoids from the Fruits of <i>Melia azedarach</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b01151","","x-ray","1.54184","CuKα","","0.0347","0.0327","","","0.091","0.0925","","","","","","1.052","","","","has coordinates","259418","2020-12-02","00:12:07",""
"1559692","31.36","0.005","5.4501","0.0008","14.626","0.002","90","","94.939","0.009","90","","2490.5","0.6","173","","173","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C58 H58 N4 O8 -","- C58 H58 N4 O8 -","- C116 H116 N8 O16 -","2","0.5","","Yang, Yue; Gong, Qi; Wang, Wei; Mao, Ying-Le; Wang, Xiao-Rong; Yao, Sheng; Zhang, Hai-Yan; Tang, Chunping; Ye, Yang","Neuroprotective and Anti-inflammatory Ditetrahydrofuran-Containing Diarylheptanoids from <i>Tacca chantrieri</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00901","","","1.54178","CuKα","","0.0332","0.0312","","","0.0777","0.0791","","","","","","1.039","","","","has coordinates","259419","2020-12-02","00:12:37",""
"1559693","9.3405","0.0008","10.8596","0.0009","18.9774","0.0017","75.724","0.001","82.338","0.002","86.529","0.003","1848.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H42 Br2 N2 Ni -","- C41 H42 Br2 N2 Ni -","- C82 H84 Br4 N4 Ni2 -","2","1","","Li, Shuaikang; Dai, Shengyu","8-Arylnaphthyl substituent retarding chain transfer in insertion polymerization with unsymmetrical α-diimine systems","Polymer Chemistry","2020","11","45","7199","7206","10.1039/D0PY01231A","","","0.71073","MoKα","","0.0736","0.0416","","","0.0859","0.091","","","","","","1.068","","","","has coordinates","259465","2020-12-02","06:07:20",""
"1559694","12.93","0.0011","14.8499","0.0013","15.1301","0.0014","105.57","0.003","113.86","0.005","103.22","0.003","2364.4","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H61 Cl N2 Pd -","- C50 H61 Cl N2 Pd -","- C100 H122 Cl2 N4 Pd2 -","2","1","","Li, Shuaikang; Dai, Shengyu","8-Arylnaphthyl substituent retarding chain transfer in insertion polymerization with unsymmetrical α-diimine systems","Polymer Chemistry","2020","11","45","7199","7206","10.1039/D0PY01231A","","","0.71073","MoKα","","0.0754","0.059","","","0.1715","0.1827","","","","","","1.097","","","","has coordinates,has disorder","259465","2020-12-02","06:07:21",""
"1559695","9.23","0.0009","22.71","0.002","18.1601","0.0017","90","","91.2","0.002","90","","3805.8","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H41 Cl F4 N2 Pd -","- C42 H41 Cl F4 N2 Pd -","- C168 H164 Cl4 F16 N8 Pd4 -","4","1","","Li, Shuaikang; Dai, Shengyu","8-Arylnaphthyl substituent retarding chain transfer in insertion polymerization with unsymmetrical α-diimine systems","Polymer Chemistry","2020","11","45","7199","7206","10.1039/D0PY01231A","","","0.71073","MoKα","","0.1684","0.0671","","","0.0925","0.1104","","","","","","0.988","","","","has coordinates,has disorder","259465","2020-12-02","06:07:21",""
"1559696","17.2731","0.0015","12.489","0.0011","21.4769","0.0019","90","","127.871","0.005","90","","3657.3","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H45 Cl N2 Pd -","- C42 H45 Cl N2 Pd -","- C168 H180 Cl4 N8 Pd4 -","4","1","","Li, Shuaikang; Dai, Shengyu","8-Arylnaphthyl substituent retarding chain transfer in insertion polymerization with unsymmetrical α-diimine systems","Polymer Chemistry","2020","11","45","7199","7206","10.1039/D0PY01231A","","","0.71073","MoKα","","0.108","0.0573","","","0.1051","0.1179","","","","","","1.028","","","","has coordinates,has disorder","259465","2020-12-02","06:07:21",""
"1559697","6.8808","0.0002","11.0218","0.0003","7.1787","0.0002","90","","94.454","0.003","90","","542.78","0.03","170.01","0.1","170.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N2 S2 -","- C12 H6 N2 S2 -","- C24 H12 N4 S4 -","2","0.5","","Wei, Congyuan; Tang, Zhonghai; Zhang, Weifeng; Huang, Jianyao; Zhou, Yankai; Wang, Liping; Yu, Gui","Molecular engineering of (E)-1,2-bis(3-cyanothiophene-2-yl)ethene-based polymeric semiconductors for unipolar n-channel field-effect transistors","Polymer Chemistry","2020","11","46","7340","7348","10.1039/D0PY01399D","","x-ray","0.71073","MoKα","","0.0279","0.0261","","","0.0787","0.0798","","","","","","1.067","","","","has coordinates","260828","2021-01-07","07:14:43",""
"1559698","3.8298","0.0001","10.427","0.0002","13.8707","0.0002","90","","95.296","0.001","90","","551.54","0.02","170","0.1","170","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N2 S2 -","- C12 H6 N2 S2 -","- C24 H12 N4 S4 -","2","0.5","","Wei, Congyuan; Tang, Zhonghai; Zhang, Weifeng; Huang, Jianyao; Zhou, Yankai; Wang, Liping; Yu, Gui","Molecular engineering of (E)-1,2-bis(3-cyanothiophene-2-yl)ethene-based polymeric semiconductors for unipolar n-channel field-effect transistors","Polymer Chemistry","2020","11","46","7340","7348","10.1039/D0PY01399D","","x-ray","1.54184","CuKα","","0.0384","0.0362","","","0.0978","0.0997","","","","","","1.127","","","","has coordinates","260828","2021-01-07","07:14:43",""
"1559699","19.9382","0.0003","18.4554","0.0003","44.8986","0.0009","90","","92.964","0.002","90","","16499.1","0.5","225","2","225","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C243 H236 Ga32 N32 Na4 Nd4 O139 -","- C243 H236 Ga32 N32 Na4 Nd4 O139 -","- C486 H472 Ga64 N64 Na8 Nd8 O278 -","2","0.5","","Salerno, Elvin V.; Eliseeva, Svetlana V.; Schneider, Bernadette L.; Kampf, Jeff W.; Petoud, Stéphane; Pecoraro, Vincent L.","Visible, Near-Infrared, and Dual-Range Luminescence Spanning the 4f Series Sensitized by a Gallium(III)/Lanthanide(III) Metallacrown Structure.","The journal of physical chemistry. A","2020","124","50","10550","10564","10.1021/acs.jpca.0c08819","","","1.54178","CuKα","","0.1176","0.1084","","","0.3255","0.3343","","","","","","1.16","","","","has coordinates,has disorder","260434","2021-01-04","03:21:32",""
"1559700","20.3089","0.0008","14.9227","0.0007","24.4008","0.001","90","","90.684","0.006","90","","7394.5","0.5","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cl4 N2 Pt -","- C40 H36 Cl4 N2 Pt -","- C320 H288 Cl32 N16 Pt8 -","8","1","","Sotani, Taichi; Yajima, Tatsuo; Sogawa, Hiromitsu; Sanda, Fumio","Synthesis of Platinum-Containing Conjugated Polymers Bearing Optically Active Amide Groups: A Mechanistic Study of Chiral Aggregation","Macromolecules","2020","53","24","11077","11088","10.1021/acs.macromol.0c00911","","","0.710747","MoKα","","0.0547","0.0425","","","0.0829","0.0866","","","","","","1.0536","","","","has coordinates","260435","2021-01-04","03:22:42",""
"1559701","9.8094","0.0003","20.7167","0.0007","9.6437","0.0003","90","","93.556","0.001","90","","1956","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N3 S -","- C23 H19 N3 S -","- C92 H76 N12 S4 -","4","1","","Dey, Sunanda; Maity, Suvendu; Purkait, Rakesh; Pal, Kunal; Ghosh, Prasanta; Jana, Kuladip; Sinha, Chittaranjan","X-ray structure of two Schiff bases: TURN-ON sensing of Fe<sup>3+</sup> and Al<sup>3+</sup> in the HepG2 cell line.","Analytical methods : advancing methods and applications","2020","12","45","5485","5495","10.1039/d0ay01090a","","","0.71073","MoKα","","0.0737","0.0534","","","0.1392","0.1561","","","","","","1.031","","","","has coordinates","259536","2020-12-04","06:07:28",""
"1559702","22.18","0.003","5.9098","0.0007","16.938","0.002","90","","94.383","0.004","90","","2213.7","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 N3 O -","- C29 H23 N3 O -","- C116 H92 N12 O4 -","4","1","","Dey, Sunanda; Maity, Suvendu; Purkait, Rakesh; Pal, Kunal; Ghosh, Prasanta; Jana, Kuladip; Sinha, Chittaranjan","X-ray structure of two Schiff bases: TURN-ON sensing of Fe<sup>3+</sup> and Al<sup>3+</sup> in the HepG2 cell line.","Analytical methods : advancing methods and applications","2020","12","45","5485","5495","10.1039/d0ay01090a","","","0.71073","MoKα","","0.1556","0.0913","","","0.1494","0.173","","","","","","1.138","","","","has coordinates","259536","2020-12-04","06:07:29",""
"1559703","9.2554","0.0003","11.5721","0.0004","31.9214","0.001","90","","90","","90","","3418.92","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-({[(2<i>S</i>)-1-Hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)-4,6-bis(4-methylphenyl)phenol","","- C42 H37 N O2 -","- C42 H37 N O2 -","- C168 H148 N4 O8 -","4","1","SJ4216","Show, Veronica L.; Fok, Emily Y.; Johnson, Adam R.","2-({[(2<i>S</i>)-1-Hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)-4,6-bis(4-methylphenyl)phenol","IUCrData","2020","5","12","x201576","","10.1107/S241431462001576X","","x-ray","0.71073","MoKα","","0.0973","0.0524","","","0.0976","0.1122","","","","","","1.007","","","","has coordinates,has Fobs","259558","2020-12-05","05:47:04",""
"1559704","21.354","0.0016","12.3394","0.001","10.9586","0.0008","90","","101.844","0.006","90","","2826.1","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H34 F6 O6 -","- C29 H34 F6 O6 -","- C116 H136 F24 O24 -","4","0.5","","Sysoiev, Dmytro; Huhn, Thomas","Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1511","1516","10.1039/d0pp00292e","","","0.71073","MoKα","","0.0975","0.0551","","","0.1111","0.1255","","","","","","0.953","","","","has coordinates","259566","2020-12-05","15:08:58",""
"1559705","6.3781","0.0016","13.826","0.004","15.124","0.004","92.61","0.02","91.07","0.02","96.54","0.02","1323.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 F4 N5 S2 -","- C29 H21 F4 N5 S2 -","- C58 H42 F8 N10 S4 -","2","1","","Sysoiev, Dmytro; Huhn, Thomas","Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1511","1516","10.1039/d0pp00292e","","","0.71073","MoKα","","0.1733","0.0559","","","0.1127","0.1487","","","","","","0.846","","","","has coordinates","259566","2020-12-05","15:08:59",""
"1559706","21.89","0.004","9.2771","0.0015","10.6726","0.0014","90","","99.344","0.012","90","","2138.6","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H10 F6 N4 O2 -","- C23 H10 F6 N4 O2 -","- C92 H40 F24 N16 O8 -","4","0.5","","Sysoiev, Dmytro; Huhn, Thomas","Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1511","1516","10.1039/d0pp00292e","","","0.71073","MoKα","","0.127","0.0589","","","0.1048","0.1219","","","","","","0.985","","","","has coordinates,has disorder","259566","2020-12-05","15:09:01",""
"1559707","25.3473","0.0019","11.025","0.0008","10.6805","0.0011","90","","90","","90","","2984.7","0.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H34 F6 O4 S2 -","- C29 H34 F6 O4 S2 -","- C116 H136 F24 O16 S8 -","4","0.5","","Sysoiev, Dmytro; Huhn, Thomas","Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1511","1516","10.1039/d0pp00292e","","","0.71073","MoKα","","0.0482","0.0414","","","0.1106","0.1145","","","","","","1.043","","","","has coordinates,has disorder","259566","2020-12-05","15:09:01",""
"1559708","7.147","0.001","8.3925","0.0012","14.495","0.002","81.952","0.012","87.947","0.012","78.899","0.012","844.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H10 F6 O2 -","- C19 H10 F6 O2 -","- C38 H20 F12 O4 -","2","1","","Sysoiev, Dmytro; Huhn, Thomas","Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1511","1516","10.1039/d0pp00292e","","","0.71073","MoKα","","0.0644","0.0386","","","0.0882","0.0961","","","","","","0.92","","","","has coordinates,has disorder","259566","2020-12-05","15:09:01",""
"1559709","21.831","0.003","9.0389","0.0008","10.1044","0.0013","90","","101.746","0.01","90","","1952.1","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 N4 O2 -","- C23 H16 N4 O2 -","- C92 H64 N16 O8 -","4","0.5","","Sysoiev, Dmytro; Huhn, Thomas","Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1511","1516","10.1039/d0pp00292e","","","0.71073","MoKα","","0.0901","0.0559","","","0.1328","0.1425","","","","","","1.045","","","","has coordinates","259566","2020-12-05","15:09:01",""
"1559710","16.0352","0.0004","5.5514","0.0001","17.2061","0.0004","90","","100.324","0.003","90","","1506.85","0.06","93.15","","93.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2'Z,3'E)-3'-(Hydroxyimino)-5-methoxy-[2',3-biindolinylidene]-2-one","","- C18 H16 N3 O3.5 -","- C18 H16 N3 O3.5 -","- C72 H64 N12 O14 -","4","1","","NAKAMURA, Niina; ICHIMARU, Yoshimi; KATO, Koichi; SANO, Makoto; KUROSAKI, Hiromasa; HAYASHI, Kazuhiko; MIYAIRI, Shinichi","Crystal Structure of 5-Methoxyindirubin 3′-Oxime","X-ray Structure Analysis Online","2020","36","0","47","48","10.2116/xraystruct.36.47","","x-ray","1.54184","CuKα","","0.0616","0.0524","","","0.1354","0.1411","","","","","","1.055","","","","has coordinates,has disorder","259630","2020-12-06","15:01:01",""
"1559711","13.569","0.0002","14.2212","0.0002","7.5004","0.0001","90","","90","","90","","1447.33","0.04","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H17 I O -","- C17 H17 I O -","- C68 H68 I4 O4 -","4","1","","BLANGETTI, Marco; O’SHEA, Donal F.","Crystal Structure of <i>rac</i>-4-Iodo-5-methoxy[2.2]metacylophane; A Rare Example of a Halogenated Metacyclophane with Planar Chirality","X-ray Structure Analysis Online","2020","36","0","45","46","10.2116/xraystruct.36.45","","","1.54184","CuKα","","0.029","0.0281","","","0.0733","0.0741","","","","","","1.052","","","","has coordinates","259631","2020-12-06","15:01:22",""
"1559712","8.5598","0.0014","14.825","0.004","10.853","0.002","90","","108.57","0.013","90","","1305.5","0.5","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[1,3-dimethyltetrahydropyrimidin-2(1<i>H</i>)-iminium [tri-μ~2~-cyanido-κ^6^ C:<i>N</i>-dicuprate(I)]]","","- C9 H14 Cu2 N6 -","- C9 H14 Cu2 N6 -","- C36 H56 Cu8 N24 -","4","1","","Corfield, Peter W. R.; Dayrit, Joseph R.","Poly[1,3-Dimethyltetrahydropyrimidin-2(1H)-iminium [tri-µ2-cyanido-κ6C:N-dicuprate(I)]]","Molbank","2020","2020","4","M1170","","10.3390/M1170","","","0.7107","MoKα","","0.0523","0.0336","","","0.0893","0.0932","","","","","","1.07","","","","has coordinates,has disorder","259632","2020-12-06","21:26:36",""
"1559718","14.931","0.003","8.6942","0.0017","18.187","0.004","90","","107.5","0.03","90","","2251.6","0.9","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N2 Si -","- C24 H36 N2 Si -","- C96 H144 N8 Si4 -","4","1","","Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W.","A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination","Chemical Science","2020","11","46","12446","12452","10.1039/D0SC04174B","","","0.71073","MoKα","","0.0514","0.0365","","","0.0867","0.0905","","","","","","0.927","","","","has coordinates","259673","2020-12-09","02:09:53",""
"1559719","11.4292","0.0005","20.8212","0.0011","16.8791","0.0007","90","","97.269","0.003","90","","3984.4","0.3","210","","210","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37.5 H54 N2 Si Zn -","- C37.5 H54 N2 Si Zn -","- C150 H216 N8 Si4 Zn4 -","4","1","","Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W.","A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination","Chemical Science","2020","11","46","12446","12452","10.1039/D0SC04174B","","x-ray","0.71073","MoKα","","0.1027","0.0577","","","0.151","0.1689","","","","","","0.954","","","","has coordinates,has disorder","259673","2020-12-09","02:09:54",""
"1559720","8.5961","0.0004","10.5095","0.0003","19.1188","0.0009","90","","99.139","0.004","90","","1705.28","0.12","150","","150","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C36 H54 N2 Si Zn -","- C36 H54 N2 Si Zn -","- C72 H108 N4 Si2 Zn2 -","2","1","","Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W.","A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination","Chemical Science","2020","11","46","12446","12452","10.1039/D0SC04174B","","x-ray","0.71073","MoKα","","0.0345","0.0293","","","0.0659","0.0671","","","","","","0.986","","","","has coordinates,has disorder","259673","2020-12-09","02:09:54",""
"1559721","11.4019","0.0006","20.6248","0.001","13.6772","0.0009","90","","101.761","0.005","90","","3148.8","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Cl N2 Rh Si -","- C32 H48 Cl N2 Rh Si -","- C128 H192 Cl4 N8 Rh4 Si4 -","4","1","","Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W.","A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination","Chemical Science","2020","11","46","12446","12452","10.1039/D0SC04174B","","","0.71073","MoKα","","0.0385","0.0267","","","0.0675","0.0713","","","","","","1.054","","","","has coordinates,has disorder","259673","2020-12-09","02:09:54",""
"1559722","33.271","0.007","9.5771","0.0019","19.943","0.004","90","","103.05","0.03","90","","6191","2","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H48 Cl Ir N2 Si -","- C32 H48 Cl Ir N2 Si -","- C256 H384 Cl8 Ir8 N16 Si8 -","8","1","","Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W.","A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination","Chemical Science","2020","11","46","12446","12452","10.1039/D0SC04174B","","x-ray","0.71073","MoKα","","0.0342","0.0224","","","0.0467","0.0484","","","","","","0.956","","","","has coordinates","259673","2020-12-09","02:09:55",""
"1559723","10.2454","0.0007","12.6409","0.0009","15.4096","0.0009","105.459","0.005","107.476","0.005","100.998","0.005","1753.3","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H51 Ca I N2 Si -","- C34 H51 Ca I N2 Si -","- C68 H102 Ca2 I2 N4 Si2 -","2","1","","Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W.","A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination","Chemical Science","2020","11","46","12446","12452","10.1039/D0SC04174B","","x-ray","0.71073","MoKα","","0.0499","0.0328","","","0.0667","0.0689","","","","","","0.938","","","","has coordinates","259673","2020-12-09","02:09:55",""
"1559724","8.6931","0.0017","16.799","0.003","16.673","0.003","90","","102.11","0.03","90","","2380.7","0.8","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N2 Si -","- C24 H36 N2 Si -","- C96 H144 N8 Si4 -","4","1","","Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W.","A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination","Chemical Science","2020","11","46","12446","12452","10.1039/D0SC04174B","","","0.71073","MoKα","","0.0698","0.0489","","","0.1354","0.1486","","","","","","1.048","","","","has coordinates","259673","2020-12-09","02:09:55",""
"1559725","22.3705","0.0017","32.55","0.002","22.5838","0.0017","90","","95.026","0.002","90","","16381","2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C250 H258 Mn24 N2 O130 -","- C250 H140 Mn24 N2 O130 -","- C500 H280 Mn48 N4 O260 -","2","0.5","","Hu, Xiangquan; Feng, Sisi; Du, Jialei; Shao, Li; Lang, Jinxin; Zhang, Chen; Kelley, Steven P.; Lin, Jian; Dalgarno, Scott J.; Atwood, David A.; Atwood, Jerry L.","Controlled hierarchical self-assembly of networked coordination nanocapsules via the use of molecular chaperones","Chemical Science","2020","11","46","12547","12552","10.1039/D0SC05002D","","","0.71073","MoKα","","0.1907","0.1318","","","0.3923","0.4373","","","","","","1.678","","","","has coordinates,has disorder","259674","2020-12-09","02:11:18",""
"1559726","37.471","0.005","39.182","0.005","25.613","0.004","90","","90","","90","","37605","9","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C248 H252 Mn24 N4 O140 -","- C248 H204 Mn24 N4 O140 -","- C992 H816 Mn96 N16 O560 -","4","0.5","","Hu, Xiangquan; Feng, Sisi; Du, Jialei; Shao, Li; Lang, Jinxin; Zhang, Chen; Kelley, Steven P.; Lin, Jian; Dalgarno, Scott J.; Atwood, David A.; Atwood, Jerry L.","Controlled hierarchical self-assembly of networked coordination nanocapsules via the use of molecular chaperones","Chemical Science","2020","11","46","12547","12552","10.1039/D0SC05002D","","","0.71073","MoKα","","0.1834","0.0858","","","0.2134","0.2766","","","","","","1.013","","","","has coordinates,has disorder","259674","2020-12-09","02:11:18",""
"1559727","13.9627","0.0011","24.4797","0.0019","20.1924","0.0016","90","","109.711","0.004","90","","6497.4","0.9","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H60 B2 F24 N4 O2 Pt -","- C58 H60 B2 F24 N4 O2 Pt -","- C232 H240 B8 F96 N16 O8 Pt4 -","4","1","","Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador","Reversible carbon-boron bond formation at platinum centers through σ-BH complexes.","Chemical science","2020","12","5","1647","1655","10.1039/d0sc05522k","","","0.56086","AgKα","","0.0572","0.0358","","","0.073","0.0813","","","","","","1.034","","","","has coordinates,has disorder","267056","2021-07-05","16:45:50",""
"1559728","17.784","0.001","19.3314","0.0012","19.4985","0.0012","77.056","0.003","83.793","0.003","71.134","0.003","6177.4","0.7","99.99","","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H54 B2 F24 N6 Pt -","- C58 H54 B2 F24 N6 Pt -","- C232 H216 B8 F96 N24 Pt4 -","4","2","","Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador","Reversible carbon-boron bond formation at platinum centers through σ-BH complexes.","Chemical science","2020","12","5","1647","1655","10.1039/d0sc05522k","","","0.56086","AgKα","","0.1031","0.06","","","0.1401","0.1624","","","","","","1.039","","","","has coordinates,has disorder","267056","2021-07-05","16:45:50",""
"1559729","12.8046","0.0007","13.6804","0.0007","18.4265","0.001","96.145","0.003","98.035","0.003","91.631","0.003","3174.7","0.3","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H54 B2 F24 N6 Pt -","- C58 H54 B2 F24 N6 Pt -","- C116 H108 B4 F48 N12 Pt2 -","2","1","","Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador","Reversible carbon-boron bond formation at platinum centers through σ-BH complexes.","Chemical science","2020","12","5","1647","1655","10.1039/d0sc05522k","","","0.56086","AgKα","","0.0645","0.0438","","","0.0819","0.0888","","","","","","1.044","","","","has coordinates,has disorder","267056","2021-07-05","16:45:50",""
"1559730","13.001","0.0007","26.3167","0.0013","21.0636","0.001","90","","101.229","0.002","90","","7068.8","0.6","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H69 B2 F24 N5 O2 Pt -","- C63 H69 B2 F24 N5 O2 Pt -","- C252 H276 B8 F96 N20 O8 Pt4 -","4","1","","Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador","Reversible carbon-boron bond formation at platinum centers through σ-BH complexes.","Chemical science","2020","12","5","1647","1655","10.1039/d0sc05522k","","","0.56086","AgKα","","0.0773","0.0506","","","0.105","0.1148","","","","","","1.092","","","","has coordinates,has disorder","267056","2021-07-05","16:45:50",""
"1559731","28.129","0.0008","28.129","0.0008","10.2773","0.0004","90","","90","","120","","7042.4","0.4","173","2","173","2","","","","","","","","6","P 61","P 61","169","","","","- C55.17 H44.33 N4 O P Zn -","- C55.1669 H44.3336 N4 O P Zn -","- C331.001 H266.002 N24 O6 P6 Zn6 -","6","1","","Chakraborty, Debarshi; Gholami, Hadi; Sarkar, Aritra; Joyce, Leo A.; Jackson, James E.; Borhan, Babak","A chiroptical approach for the absolute stereochemical determination of <i>P</i>-stereogenic centers.","Chemical science","2020","12","5","1750","1755","10.1039/d0sc02940h","","","1.54178","CuKα","","0.198","0.088","","","0.2059","0.2611","","","","","","0.957","","","","has coordinates,has disorder","267054","2021-07-05","16:45:31",""
"1559732","9.0142","0.0016","9.975","0.002","11.8175","0.0014","90","","95.44","0.013","90","","1057.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H19 Cl O2 -","- C25.963 H19 Cl O2 -","- C51.926 H38 Cl2 O4 -","2","1","","Peng, Xiaolin; Xu, Jun; Li, Tingting; Chi, Yonggui Robin; Jin, Zhichao","Chemo-selective cross reaction of two enals via carbene-catalyzed dual activation","Chemical Science","2020","11","46","12533","12539","10.1039/D0SC03297B","","","1.54178","CuKα","","0.0844","0.0655","","","0.154","0.1784","","","","","","1.079","","","","has coordinates,has disorder","259677","2020-12-09","02:14:02",""
"1559733","10.6148","0.0002","5.0773","0.0001","15.8871","0.0003","90","","104.929","0.002","90","","827.33","0.03","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H23 Cl N2 O3 -","- C16 H23 Cl N2 O3 -","- C32 H46 Cl2 N4 O6 -","2","1","","Steigerwald, Daniel C.; Soltanzadeh, Bardia; Sarkar, Aritra; Morgenstern, Cecilia C.; Staples, Richard J.; Borhan, Babak","Ritter-enabled catalytic asymmetric chloroamidation of olefins.","Chemical science","2020","12","5","1834","1842","10.1039/d0sc05224h","","","1.54178","CuKα","","0.049","0.0387","","","0.0811","0.085","","","","","","1.01","","","","has coordinates","267055","2021-07-05","16:45:37",""
"1559734","4.9505","0.0002","8.582","0.0003","19.942","0.0006","88.027","0.002","85.435","0.002","89.121","0.002","843.98","0.05","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C15 H20 Br Cl N2 O2 -","- C15 H20 Br Cl N2 O2 -","- C30 H40 Br2 Cl2 N4 O4 -","2","2","","Steigerwald, Daniel C.; Soltanzadeh, Bardia; Sarkar, Aritra; Morgenstern, Cecilia C.; Staples, Richard J.; Borhan, Babak","Ritter-enabled catalytic asymmetric chloroamidation of olefins.","Chemical science","2020","12","5","1834","1842","10.1039/d0sc05224h","","","1.54178","CuKα","","0.0586","0.0489","","","0.1146","0.1207","","","","","","1.05","","","","has coordinates","267055","2021-07-05","16:45:37",""
"1559735","7.0556","0.0003","11.2701","0.0004","21.8311","0.0008","76.95","0.003","80.721","0.003","83.88","0.003","1664.53","0.11","293.1","0.6","293.1","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C39 H35 Cl N2 O4 -","- C39 H35 Cl N2 O4 -","- C78 H70 Cl2 N4 O8 -","2","1","","Yan, Lipeng; Ma, Weixin; Lan, Jingbo; Cheng, Hu; Bin, Zhengyang; Wu, Di; You, Jingsong","Molecular engineering enabling reversible transformation between helical and planar conformations by cyclization of alkynes.","Chemical science","2020","12","7","2419","2426","10.1039/d0sc05844k","","x-ray","1.54184","CuKα","","0.0643","0.0573","","","0.1664","0.1771","","","","","","1.021","","","","has coordinates","267089","2021-07-05","16:55:29",""
"1559736","11.61201","0.00013","15.7662","0.0002","16.56274","0.00019","90","","96.2696","0.001","90","","3014.13","0.06","294.7","0.6","294.7","0.6","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H26 N2 -","- C39 H26 N2 -","- C156 H104 N8 -","4","1","","Yan, Lipeng; Ma, Weixin; Lan, Jingbo; Cheng, Hu; Bin, Zhengyang; Wu, Di; You, Jingsong","Molecular engineering enabling reversible transformation between helical and planar conformations by cyclization of alkynes.","Chemical science","2020","12","7","2419","2426","10.1039/d0sc05844k","","x-ray","1.54184","CuKα","","0.0577","0.0517","","","0.1487","0.1574","","","","","","1.038","","","","has coordinates","267089","2021-07-05","16:55:29",""
"1559738","16.3688","0.0016","32.3268","0.0009","36.999","0.002","90","","97.356","0.007","90","","19417","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C160 H240 Au22 S16 -","- C160 H240 Au22 S16 -","- C640 H960 Au88 S64 -","4","1","","Li, Qinzhen; Yang, Sha; Chen, Tao; Jin, Shan; Chai, Jinsong; Zhang, Hui; Zhu, Manzhou","Structure determination of a metastable Au<sub>22</sub>(SAdm)<sub>16</sub> nanocluster and its spontaneous transformation into Au<sub>21</sub>(SAdm)<sub>15</sub>.","Nanoscale","2020","12","46","23694","23699","10.1039/d0nr07124b","","","1.54186","CuKα","","0.0889","0.0703","","","0.1838","0.1961","","","","","","0.988","","","","has coordinates","259757","2020-12-10","05:33:45",""
"1559742","13.2976","0.0002","25.7772","0.0002","38.6074","0.0007","90","","90","","90","","13233.6","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C123.64 H127.46 F9 Lu N9.82 O29 S3 -","- C123.584 H127.376 F9 Lu N9.792 O29 S3 -","- C494.336 H509.504 F36 Lu4 N39.168 O116 S12 -","4","1","","Song, Yiwei; Schaufelberger, Fredrik; Ashbridge, Zoe; Pirvu, Lucian; Vitorica-Yrezabal, Iñigo J; Leigh, David A.","Effects of turn-structure on folding and entanglement in artificial molecular overhand knots.","Chemical science","2020","12","5","1826","1833","10.1039/d0sc05897a","","x-ray","0.6889","Synchrotron","","0.1254","0.078","","","0.2195","0.2503","","","","","","1.015","","","","has coordinates,has disorder","267052","2021-07-05","16:45:17",""
"1559743","7.3505","0.0004","9.1897","0.0006","17.0347","0.0011","94.567","0.006","91.046","0.005","113.509","0.006","1050.24","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Pyrene 9,10-dicyanoanthracene","","- C32 H18 N2 -","- C32 H18 N2 -","- C64 H36 N4 -","2","1","","Vriza, Aikaterini; Canaj, Angelos B.; Vismara, Rebecca; Kershaw Cook, Laurence J.; Manning, Troy D.; Gaultois, Michael W.; Wood, Peter A.; Kurlin, Vitaliy; Berry, Neil; Dyer, Matthew S.; Rosseinsky, Matthew J.","One class classification as a practical approach for accelerating π-π co-crystal discovery.","Chemical science","2020","12","5","1702","1719","10.1039/d0sc04263c","","x-ray","0.71073","MoKα","","0.144","0.0904","","","0.2084","0.2358","","","","","","1.052","","","","has coordinates","267053","2021-07-05","16:45:24",""
"1559744","8.295","0.0005","16.3146","0.0011","21.1379","0.0018","90","","91.514","0.007","90","","2859.6","0.4","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","bis-(6H-Benzo[c]chromen-6-one) pyrene","","- C42 H26 O4 -","- C42 H26 O4 -","- C168 H104 O16 -","4","1","","Vriza, Aikaterini; Canaj, Angelos B.; Vismara, Rebecca; Kershaw Cook, Laurence J.; Manning, Troy D.; Gaultois, Michael W.; Wood, Peter A.; Kurlin, Vitaliy; Berry, Neil; Dyer, Matthew S.; Rosseinsky, Matthew J.","One class classification as a practical approach for accelerating π-π co-crystal discovery.","Chemical science","2020","12","5","1702","1719","10.1039/d0sc04263c","","x-ray","0.71073","MoKα","","0.1468","0.1143","","","0.3074","0.3306","","","","","","1.079","","","","has coordinates,has disorder","267053","2021-07-05","16:45:24",""
"1559745","11.438","0.002","23.034","0.004","15.788","0.003","90","","95.203","0.003","90","","4142.4","1.3","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Al0.5 Mo6 N3 O34.25 P4 -","- C18 H27 Al0.5 Mo6 N3 O34.25 P4 -","- C72 H108 Al2 Mo24 N12 O137 P16 -","4","1","","Zhang, Ya-Qi; Zhou, Lai-Yun; Ma, Yuan-Yuan; Dastafkan, Kamran; Zhao, Chuan; Wang, Lan-Zhi; Han, Zhan-Gang","Stable monovalent aluminum(i) in a reduced phosphomolybdate cluster as an active acid catalyst.","Chemical science","2020","12","5","1886","1890","10.1039/d0sc05277a","","","0.71073","MoKα","","0.0403","0.0339","","","0.084","0.0878","","","","","","1.079","","","","has coordinates,has disorder","267057","2021-07-05","16:46:04",""
"1559746","48.173","0.005","13.8607","0.0013","47.347","0.005","90","","117.571","0.003","90","","28024","5","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C132 H114 Al6 Mo36 N22 O201 P24 -","- C132 H164 Al6 Mo36 N22 O201 P24 -","- C528 H656 Al24 Mo144 N88 O804 P96 -","4","0.5","","Zhang, Ya-Qi; Zhou, Lai-Yun; Ma, Yuan-Yuan; Dastafkan, Kamran; Zhao, Chuan; Wang, Lan-Zhi; Han, Zhan-Gang","Stable monovalent aluminum(i) in a reduced phosphomolybdate cluster as an active acid catalyst.","Chemical science","2020","12","5","1886","1890","10.1039/d0sc05277a","","","0.71073","MoKα","","0.0686","0.0594","","","0.1433","0.1485","","","","","","1.117","","","","has coordinates","267057","2021-07-05","16:46:04",""
"1559747","17.4036","0.0007","20.6957","0.0008","24.9538","0.001","103.801","0.002","102.939","0.002","109.687","0.002","7749.8","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C199 H530 Ce6 Cl8 N36 Si36 -","- C199 H530 Ce6 Cl8 N36 Si36 -","- C199 H530 Ce6 Cl8 N36 Si36 -","1","0.5","","Qiao, Yusen; Yin, Haolin; Moreau, Liane M.; Feng, Rulin; Higgins, Robert F.; Manor, Brian C.; Carroll, Patrick J.; Booth, Corwin H.; Autschbach, Jochen; Schelter, Eric J.","Cerium(iv) complexes with guanidinate ligands: intense colors and anomalous electronic structures.","Chemical science","2020","12","10","3558","3567","10.1039/d0sc05193d","","","0.71073","MoKα","","0.0668","0.0568","","","0.1256","0.1344","","","","","","1.048","","","","has coordinates,has disorder","267043","2021-07-05","16:42:53",""
"1559748","18.6937","0.0017","18.0533","0.0016","26.789","0.002","90","","91.191","0.003","90","","9038.9","1.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H94 B Ce F24 N7 Si6 -","- C64 H94 B Ce F24 N7 Si6 -","- C256 H376 B4 Ce4 F96 N28 Si24 -","4","1","","Qiao, Yusen; Yin, Haolin; Moreau, Liane M.; Feng, Rulin; Higgins, Robert F.; Manor, Brian C.; Carroll, Patrick J.; Booth, Corwin H.; Autschbach, Jochen; Schelter, Eric J.","Cerium(iv) complexes with guanidinate ligands: intense colors and anomalous electronic structures.","Chemical science","2020","12","10","3558","3567","10.1039/d0sc05193d","","","0.71073","MoKα","","0.086","0.0661","","","0.1652","0.1879","","","","","","1.123","","","","has coordinates,has disorder","267043","2021-07-05","16:42:53",""
"1559749","11.495","0.003","11.697","0.003","11.753","0.003","72.463","0.004","82.359","0.004","71.422","0.003","1427.1","0.6","173","2","172.99","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H46 Mn2 N30 -","- C50 H46 Mn2 N30 -","- C50 H46 Mn2 N30 -","1","0.5","","Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.","Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.","Chemical science","2020","12","6","2268","2275","10.1039/d0sc04949b","","","0.71073","MoKα","","0.0644","0.05","","","0.1281","0.141","","","","","","1.033","","","","has coordinates","267087","2021-07-05","16:55:04",""
"1559750","9.332","0.003","13.337","0.005","15.845","0.006","90","","97.844","0.007","90","","1953.6","1.2","100","2","99.95","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cu2 N26 -","- C36 H30 Cu2 N26 -","- C72 H60 Cu4 N52 -","2","0.5","","Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.","Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.","Chemical science","2020","12","6","2268","2275","10.1039/d0sc04949b","","","0.71073","MoKα","","0.0915","0.0471","","","0.0804","0.0923","","","","","","1.012","","","","has coordinates","267087","2021-07-05","16:55:04",""
"1559751","8.018","0.004","4.669","0.003","18.877","0.01","90","","101.238","0.01","90","","693.1","0.7","100","2","99.99","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-amino-4,6-diazido-1,3,5-triazine","","- C3 H2 N10 -","- C3 H2 N10 -","- C12 H8 N40 -","4","1","","Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.","Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.","Chemical science","2020","12","6","2268","2275","10.1039/d0sc04949b","","","0.71073","MoKα","","0.0772","0.0617","","","0.1711","0.1795","","","","","","1.098","","","","has coordinates","267087","2021-07-05","16:55:04",""
"1559752","9.58","0.005","13.076","0.008","15.904","0.009","90","","97.636","0.013","90","","1974.6","1.9","100","2","100.03","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 N26 Zn2 -","- C36 H30 N26 Zn2 -","- C72 H60 N52 Zn4 -","2","0.5","","Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.","Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.","Chemical science","2020","12","6","2268","2275","10.1039/d0sc04949b","","","0.71073","MoKα","","0.1196","0.0548","","","0.0958","0.1148","","","","","","0.988","","","","has coordinates","267087","2021-07-05","16:55:04",""
"1559753","11.034","0.004","13.414","0.006","18.758","0.008","91.221","0.006","106.188","0.006","99.178","0.007","2625.8","1.9","100","2","100.04","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H49 Fe2 N27 O2 -","- C46 H49 Fe2 N27 O2 -","- C92 H98 Fe4 N54 O4 -","2","1","","Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.","Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.","Chemical science","2020","12","6","2268","2275","10.1039/d0sc04949b","","","0.71073","MoKα","","0.147","0.0685","","","0.1671","0.2186","","","","","","1.014","","","","has coordinates,has disorder","267087","2021-07-05","16:55:04",""
"1559754","11.927","0.002","20.144","0.004","10.56","0.002","90","","98.269","0.004","90","","2510.7","0.8","100","2","100.09","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 N26 Ni2 O2 -","- C44 H46 N26 Ni2 O2 -","- C88 H92 N52 Ni4 O4 -","2","0.5","","Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.","Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.","Chemical science","2020","12","6","2268","2275","10.1039/d0sc04949b","","","0.71073","MoKα","","0.0809","0.0461","","","0.0932","0.1055","","","","","","1.03","","","","has coordinates,has disorder","267087","2021-07-05","16:55:04",""
"1559755","7.535","0.0018","7.6723","0.0017","9.372","0.002","90.136","0.018","90.773","0.019","118.555","0.017","475.8","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5,12-Diselena-3,4,13,14-tetraazatricyclo[9.3.0.0^2,6^]tetradeca-3,13-diene","","- C8 H8 N4 Se2 -","- C8 H8 N4 Se2 -","- C16 H16 N8 Se4 -","2","1","BT4104","Detert, Heiner; Schollmeyer, Dieter","5,12-Diselena-3,4,13,14-tetraazatricyclo[9.3.0.0^2,6^]tetradeca-3,13-diene","IUCrData","2020","5","12","x201585","","10.1107/S2414314620015850","","","0.71073","MoKα","","0.0754","0.0649","","","0.1937","0.2166","","","","","","1.116","","","","has coordinates,has Fobs","259834","2020-12-12","06:03:27",""
"1559756","6.0147","0.0002","18.8172","0.0004","20.453","0.0005","90","","90","","90","","2314.87","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Fluoro-2-({[(2<i>R</i>)-1-hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)phenol","","- C28 H24 F N O2 -","- C28 H24 F N O2 -","- C112 H96 F4 N4 O8 -","4","1","HB4369","Sha, Fanrui; Johnson, Adam R.","4-Fluoro-2-({[(2<i>R</i>)-1-hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)phenol","IUCrData","2020","5","12","x201580","","10.1107/S2414314620015801","","x-ray","0.71073","MoKα","","0.0616","0.0448","","","0.0918","0.0979","","","","","","1.031","","","","has coordinates,has Fobs","259835","2020-12-12","06:04:21",""
"1559757","10.8217","0.0002","11.1644","0.0002","18.2804","0.0005","90","","90","","90","","2208.6","0.08","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Ircinianin","(2<i>S</i>,3'<i>S</i>,3a'<i>R</i>,5'<i>R</i>,7a'<i>R</i>)-5'-[(<i>E</i>)-5-(Furan-3-yl)-2-methylpent-1-en-1-yl]-3-hydroxy-3',4,7'-trimethyl-1',2',3',3a',5',7a'-hexahydro-5<i>H</i>-spiro[furan-2,4'-inden]-5-one","","- C25 H32 O4 -","- C25 H32 O4 -","- C100 H128 O16 -","4","1","BT4103","Majer, Thomas; Schollmeyer, Dieter; Koch, Pierre; Gross, Harald","(2<i>S</i>,3'<i>S</i>,3a'<i>R</i>,5'<i>R</i>,7a'<i>R</i>)-5'-[(<i>E</i>)-5-(Furan-3-yl)-2-methylpent-1-en-1-yl]-3-hydroxy-3',4,7'-trimethyl-1',2',3',3a',5',7a'-hexahydro-5<i>H</i>-spiro[furan-2,4'-inden]-5-one","IUCrData","2020","5","12","x201578","","10.1107/S2414314620015783","","","1.54186","CuKα","","0.033","0.032","","","0.0841","0.0856","","","","","","1.077","","","","has coordinates,has Fobs","259836","2020-12-12","06:04:51",""
"1559758","8.1323","0.0002","8.1695","0.0002","19.3253","0.0004","90","","90.803","0.001","90","","1283.79","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N3 O2 -","- C14 H19 N3 O2 -","- C56 H76 N12 O8 -","4","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0507","0.0448","","","0.1036","0.1067","","","","","","1.119","","","","has coordinates,has disorder","267082","2021-07-05","16:53:30",""
"1559759","8.0314","0.0002","8.1488","0.0002","19.2027","0.0005","90","","90.5479","0.0017","90","","1256.69","0.05","100","","99.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N3 O3 -","- C13 H17 N3 O3 -","- C52 H68 N12 O12 -","4","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0449","0.0378","","","0.0952","0.0998","","","","","","1.049","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559760","13.4226","0.0006","7.6316","0.0004","22.4832","0.0011","90","","90","","90","","2303.09","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C104 H120 N24 O16 -","8","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0543","0.0413","","","0.0977","0.1046","","","","","","1.047","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559761","7.6118","0.0002","9.3656","0.0003","12.1634","0.0004","93.7306","0.0019","95.39","0.002","108.127","0.0018","816.35","0.04","100","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 N3 O2.5 -","- C18 H26 N3 O2.5 -","- C36 H52 N6 O5 -","2","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0557","0.0428","","","0.1072","0.115","","","","","","1.039","","","","has coordinates,has disorder","267082","2021-07-05","16:53:30",""
"1559762","7.1405","0.0003","8.577","0.0004","11.9704","0.0006","73.957","0.003","88.399","0.003","78.976","0.003","691.32","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H21 N3 O2 -","- C15 H21 N3 O2 -","- C30 H42 N6 O4 -","2","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0471","0.0395","","","0.0994","0.104","","","","","","1.045","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559763","7.0488","0.0002","8.6329","0.0003","12.6463","0.0005","88.989","0.002","74.751","0.002","77.777","0.002","725.03","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C34 H42 N6 O2 -","2","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0433","0.0378","","","0.0899","0.094","","","","","","1.034","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559764","6.9675","0.0012","8.6877","0.0014","12.0676","0.0019","87.02","0.011","74.121","0.011","77.399","0.012","685.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N3 O -","- C16 H19 N3 O -","- C32 H38 N6 O2 -","2","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0735","0.0466","","","0.102","0.114","","","","","","1.034","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559765","22.0392","0.0006","22.0392","0.0006","7.1184","0.0002","90","","90","","120","","2994.36","0.14","100","2","100","2","","","","","","","","4","P 31","P 31","144","","","","- C15 H19 N3 O -","- C15 H19 N3 O -","- C135 H171 N27 O9 -","9","3","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0623","0.0444","","","0.0831","0.0905","","","","","","1.023","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559766","9.6859","0.0002","8.2156","0.0002","16.9618","0.0003","90","","106.12","0.001","90","","1296.67","0.05","100","","100.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C60 H72 N8 O8 -","4","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.053","0.0396","","","0.0968","0.1047","","","","","","1.014","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559767","8.3617","0.0003","13.8207","0.0006","16.0698","0.0006","90","","90","","90","","1857.1","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N6 O4 -","- C18 H26 N6 O4 -","- C72 H104 N24 O16 -","4","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0444","0.0355","","","0.0754","0.08","","","","","","1.018","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559768","14.0179","0.0005","13.6325","0.0005","22.7651","0.0007","90","","107.536","0.001","90","","4148.2","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C216 H152 F32 N16 -","4","2","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0348","0.0337","","","0.0884","0.0896","","","","","","1.029","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559769","13.9524","0.0006","14.0942","0.0005","22.7794","0.0008","90","","106.433","0.0015","90","","4296.5","0.3","300","2","300","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C216 H152 F32 N16 -","4","1","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0471","0.0372","","","0.0936","0.0993","","","","","","1.047","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559770","6.824","0.0008","14.6816","0.0018","21.469","0.003","90","","95.4","0.004","90","","2141.4","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.71073","MoKα","","0.1583","0.0572","","","0.1092","0.1405","","","","","","1.009","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559771","14.0444","0.0004","13.7744","0.0004","22.8418","0.0007","90","","107.59","0.001","90","","4212.2","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C216 H152 F32 N16 -","4","2","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0439","0.0412","","","0.1098","0.1134","","","","","","1.025","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559772","19.158","0.0007","6.7794","0.0003","17.4666","0.0006","90","","109.362","0.001","90","","2140.25","0.14","200","2","200","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0585","0.0542","","","0.1407","0.1462","","","","","","1.034","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559773","6.6696","0.0002","14.9431","0.0005","21.3309","0.0007","90","","95.362","0.002","90","","2116.63","0.12","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.053","0.0492","","","0.1218","0.1266","","","","","","1.067","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559774","6.7928","0.0004","14.5649","0.0008","21.3902","0.0012","90","","95.7754","0.0016","90","","2105.5","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.71073","MoKα","","0.1748","0.0596","","","0.1075","0.1391","","","","","","1.017","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559775","6.6763","0.0005","15.0587","0.0011","21.4299","0.0015","90","","94.94","0.002","90","","2146.5","0.3","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.71073","MoKα","","0.1814","0.0542","","","0.0895","0.1229","","","","","","0.988","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559776","6.657","0.0003","14.852","0.0006","21.2537","0.0008","90","","95.721","0.001","90","","2090.88","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H37 F8 N4 -","- C54 H37 F8 N4 -","- C108 H74 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0507","0.0474","","","0.1231","0.1276","","","","","","1.066","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559777","19.0865","0.0008","6.767","0.0003","17.3518","0.0007","90","","109.354","0.001","90","","2114.48","0.16","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","1","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0391","0.0381","","","0.0991","0.1005","","","","","","1.045","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559778","6.6803","0.0002","15.0128","0.0005","21.3972","0.0007","90","","95.143","0.001","90","","2137.29","0.12","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0652","0.0588","","","0.1355","0.1439","","","","","","1.068","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559779","6.7657","0.0003","14.4934","0.0006","21.3307","0.001","90","","96.1667","0.0013","90","","2079.54","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.71073","MoKα","","0.0755","0.0613","","","0.143","0.1503","","","","","","1.131","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559780","9.148","0.0004","22.6374","0.001","11.7158","0.0005","90","","105.813","0.002","90","","2334.37","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N3 -","- C30 H29 N3 -","- C120 H116 N12 -","4","1","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.047","0.0409","","","0.1089","0.1144","","","","","","1.027","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559781","19.1368","0.0008","6.7789","0.0003","17.4066","0.0008","90","","109.373","0.001","90","","2130.24","0.16","150","2","150","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0606","0.0585","","","0.1458","0.1484","","","","","","1.045","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559782","6.6613","0.0003","14.8875","0.0006","21.2797","0.0008","90","","95.554","0.002","90","","2100.4","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H37 F8 N4 -","- C54 H37 F8 N4 -","- C108 H74 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0566","0.0526","","","0.1318","0.1376","","","","","","1.063","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559783","19.2225","0.0009","6.7835","0.0003","17.5663","0.0008","90","","109.337","0.002","90","","2161.35","0.17","250","2","250","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0609","0.0572","","","0.1497","0.1549","","","","","","1.049","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559784","19.2767","0.0006","6.7799","0.0002","17.6615","0.0006","90","","109.29","0.001","90","","2178.67","0.12","301","2","301","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0629","0.058","","","0.1585","0.1661","","","","","","1.048","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559785","14.0331","0.0004","13.6998","0.0004","22.8049","0.0007","90","","107.555","0.001","90","","4180.1","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C216 H152 F32 N16 -","4","2","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0372","0.0355","","","0.0945","0.0965","","","","","","1.037","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559786","32.5994","0.0018","32.7694","0.0018","35.206","0.002","104.753","0.003","98.873","0.003","104.933","0.003","34154","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H525 Ce4 Mo126 N21 Na4 O623 -","- C39 H44 Ce4 Mo126 N19.8 Na0.3 O525.336 -","- C78 H88 Ce8 Mo252 N39.6 Na0.6 O1050.67 -","2","1","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.1904","0.1058","","","0.2596","0.3433","","","","","","1.014","","","","has coordinates,has disorder","267090","2021-07-05","16:56:20",""
"1559787","34.8531","0.0017","45.172","0.002","20.9243","0.001","90","","90","","90","","32943","3","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36 H521 Ce4 Mo124 N16 Na3 O616 -","- C36 H60 Ce4 Mo124 N16 O512.6 -","- C72 H120 Ce8 Mo248 N32 O1025.2 -","2","0.5","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.0891","0.0593","","","0.1424","0.1622","","","","","","1.028","","","","has coordinates,has disorder","267090","2021-07-05","16:56:20",""
"1559788","34.884","0.005","45.668","0.006","20.929","0.003","90","","90","","90","","33342","8","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36 H531 Ce4 Mo124 N16 Na3 O617 -","- C36 H60 Ce4 Mo124 N16 O486.4 -","- C72 H120 Ce8 Mo248 N32 O972.8 -","2","0.5","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.0959","0.0686","","","0.1726","0.2051","","","","","","1.093","","","","has coordinates,has disorder","267090","2021-07-05","16:56:20",""
"1559789","32.444","0.003","32.749","0.004","35.233","0.004","104.665","0.006","98.814","0.006","104.742","0.006","34063","7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H535 Ce4 Mo126 N24 Na3 O626 -","- C43.2 H45.6 Ce3.8 Mo125.834 N21 Na0.85 O515.35 -","- C86.4 H91.2 Ce7.6 Mo251.669 N42 Na1.7 O1030.7 -","2","1","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.1479","0.0887","","","0.2247","0.2931","","","","","","1.106","","","","has coordinates,has disorder","267090","2021-07-05","16:56:20",""
"1559790","34.6572","0.0014","45.43","0.0018","20.9741","0.0008","90","","90","","90","","33023","2","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C40 H516 Ce4 Mo124 N20 Na2 O610 -","- C32 H52 Ce4 Mo124 N16 O452 -","- C64 H104 Ce8 Mo248 N32 O904 -","2","0.5","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.0336","0.0285","","","0.0678","0.0714","","","","","","1.022","","","","has coordinates","267090","2021-07-05","16:56:20",""
"1559791","38.1062","0.0017","38.2685","0.0016","46.9136","0.0019","90","","90","","90","","68413","5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H535 Ce5 Mo122 N20 Na2 O616 -","- C35 H48 Ce5 Mo122 N17.5 O507.25 -","- C140 H192 Ce20 Mo488 N70 O2029 -","4","1","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.1091","0.0766","","","0.1927","0.2314","","","","","","1.086","","","","has coordinates,has disorder","267090","2021-07-05","16:56:20",""
"1559792","9.10295","0.00012","9.10295","0.00012","9.10295","0.00012","90","","90","","90","","754.304","0.017","100","0.1","100","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- B6.001 H14.002 N2 -","- B6 H14.0002 N2.00016 -","- B24 H56.0006 N8.00064 -","4","0.0208333","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","x-ray","0.71073","MoKα","","0.0105","0.0095","","","0.0234","0.0236","","","","","","0.9106","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559793","5.45095","0.00005","5.45095","0.00005","5.45095","0.00005","90","","90","","90","","161.963","0.003","100","1","99.97","0.1","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ca F2 -","- Ca0.99984 F2.00016 -","- Ca3.99936 F8.00064 -","4","0.0208333","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","x-ray","0.56087","AgKα","","0.0114","0.0114","","","0.0279","0.0279","","","","","","1.0864","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559794","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","x-ray","0.71073","MoKα","","0.0196","0.0196","","","0.0332","0.0332","","","","","","1.2147","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559795","16.2023","0.0011","16.2023","0.0011","5.6943","0.0004","90","","90","","120","","1294.57","0.15","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C6.286 H6 O2.57 -","- C6.285 H6 O2.57 -","- C56.565 H54 O23.13 -","9","0.5","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","","0.71073","MoKα","","0.0162","0.0145","","","0.0332","0.0338","","","","","","1.1216","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559796","7.4583","0.0004","9.4892","0.0007","9.7301","0.0006","90","","90","","90","","688.63","0.08","12","2","12","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","","0.5259","synchrotron","","0.0158","0.0158","","","0.0308","0.0308","","","","","","1.2843","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559797","6.9196","0.0001","14.5749","0.0002","9.7248","0.0001","90","","90.637","0.001","90","","980.71","0.02","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 F2 N4 -","- C10 H10 F2 N4 -","- C40 H40 F8 N16 -","4","1","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","","0.71073","MoKα","","0.0288","0.0214","","","0.0454","0.0483","","","","","","1.0794","","","","has coordinates,has disorder","267059","2021-07-05","16:48:19",""
"1559798","10.8918","0.0001","13.7619","0.0001","17.0714","0.0002","90","","98.563","0.001","90","","2530.34","0.04","120","0.1","120","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Os P2 -","- C24 H44 Os P2 -","- C96 H176 Os4 P8 -","4","1","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","x-ray","0.71073","MoKα","","0.0143","0.0119","","","0.0185","0.0189","","","","","","1.0722","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559804","10.8235","0.0017","10.926","0.002","11.4404","0.0013","90","","94.553","0.013","90","","1348.6","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H37 Cl3 O2 -","- C26 H37 Cl3 O2 -","- C52 H74 Cl6 O4 -","2","1","","Chi, Lu-Ping; Li, Xiao-Ming; Wan, Yu-Peng; Li, Xin; Wang, Bin-Gui","Ophiobolin Sesterterpenoids and Farnesylated Phthalide Derivatives from the Deep Sea Cold-Seep-Derived Fungus <i>Aspergillus insuetus</i> SD-512.","Journal of natural products","2020","83","12","3652","3660","10.1021/acs.jnatprod.0c00860","","","1.54178","CuKα","","0.2008","0.1155","","","0.2549","0.3274","","","","","","1.132","","","","has coordinates,has disorder","260432","2021-01-04","03:17:56",""
"1559805","11.5452","0.0014","6.0471","0.0007","16.751","0.002","90","","105.919","0.003","90","","1124.6","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O2 -","- C25 H38 O2 -","- C50 H76 O4 -","2","1","","Chi, Lu-Ping; Li, Xiao-Ming; Wan, Yu-Peng; Li, Xin; Wang, Bin-Gui","Ophiobolin Sesterterpenoids and Farnesylated Phthalide Derivatives from the Deep Sea Cold-Seep-Derived Fungus <i>Aspergillus insuetus</i> SD-512.","Journal of natural products","2020","83","12","3652","3660","10.1021/acs.jnatprod.0c00860","","","1.54178","CuKα","","0.105","0.0562","","","0.0569","0.0773","","","","","","0.967","","","","has coordinates","260432","2021-01-04","03:17:56",""
"1559806","20.7302","0.0008","27.0653","0.0011","8.4653","0.0004","90","","90","","90","","4749.6","0.3","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C25 H40 O3 -","- C25 H40 O3 -","- C200 H320 O24 -","8","2","","Chi, Lu-Ping; Li, Xiao-Ming; Wan, Yu-Peng; Li, Xin; Wang, Bin-Gui","Ophiobolin Sesterterpenoids and Farnesylated Phthalide Derivatives from the Deep Sea Cold-Seep-Derived Fungus <i>Aspergillus insuetus</i> SD-512.","Journal of natural products","2020","83","12","3652","3660","10.1021/acs.jnatprod.0c00860","","","1.54178","CuKα","","0.1207","0.063","","","0.1285","0.1516","","","","","","1.033","","","","has coordinates,has disorder","260432","2021-01-04","03:17:56",""
"1559808","6.6263","0.0001","12.3911","0.0002","16.6583","0.0003","90","","90","","90","","1367.77","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Shi, Zhen-Zhen; Liu, Xiang-Hong; Li, Xiao-Nian; Ji, Nai-Yun","Antifungal and Antimicroalgal Trichothecene Sesquiterpenes from the Marine Algicolous Fungus <i>Trichoderma brevicompactum</i> A-DL-9-2.","Journal of agricultural and food chemistry","2020","68","52","15440","15448","10.1021/acs.jafc.0c05586","","","1.54178","CuKα","","0.028","0.0279","","","0.0718","0.0718","","","","","","1.1","","","","has coordinates","260431","2021-01-04","03:17:01",""
"1559809","22.252","0.002","6.8553","0.0006","8.7551","0.0008","90","","90","","90","","1335.5","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Shi, Zhen-Zhen; Liu, Xiang-Hong; Li, Xiao-Nian; Ji, Nai-Yun","Antifungal and Antimicroalgal Trichothecene Sesquiterpenes from the Marine Algicolous Fungus <i>Trichoderma brevicompactum</i> A-DL-9-2.","Journal of agricultural and food chemistry","2020","68","52","15440","15448","10.1021/acs.jafc.0c05586","","","1.54178","CuKα","","0.1309","0.0815","","","0.1901","0.2334","","","","","","1.066","","","","has coordinates","260431","2021-01-04","03:17:01",""
"1559810","6.3065","0.0003","7.0893","0.0003","32.1064","0.0014","90","","90","","90","","1435.43","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Shi, Zhen-Zhen; Liu, Xiang-Hong; Li, Xiao-Nian; Ji, Nai-Yun","Antifungal and Antimicroalgal Trichothecene Sesquiterpenes from the Marine Algicolous Fungus <i>Trichoderma brevicompactum</i> A-DL-9-2.","Journal of agricultural and food chemistry","2020","68","52","15440","15448","10.1021/acs.jafc.0c05586","","","1.54178","CuKα","","0.028","0.0278","","","0.0763","0.0764","","","","","","1.064","","","","has coordinates","260431","2021-01-04","03:17:01",""
"1559812","6.8203","0.0008","8.6934","0.001","15.865","0.002","90","","90","","90","","940.66","0.19","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ethyl α-<i>L</i>-sorboside","","- C8 H16 O6 -","- C8 H16 O6 -","- C32 H64 O24 -","4","1","BV4033","Nagayama, Natsumi; Taniguchi, Norito; Matsumoto, Mao; Takeshita, Kei; Ishii, Tomohiko","Ethyl α-<small>L</small>-sorboside","IUCrData","2020","5","12","x201625","","10.1107/S2414314620016259","","","1.54187","CuKα","","0.0398","0.0366","","","0.0891","0.0904","","","","","","1.073","","","","has coordinates,has Fobs","260019","2020-12-19","06:56:33",""
"1559813","10.4098","0.0005","21.2446","0.0011","21.6607","0.0012","68.899","0.003","86.272","0.003","81.935","0.003","4424.4","0.4","120","2","120","2","","","","","","","synthesized by the authors","3","P -1","-P 1","2","","","","- C16 H16 O7 -","- C16 H16 O7 -","- C192 H192 O84 -","12","6","","Procházková, Eliška; Kucherak, Oleksandr; Stodůlková, Eva; Tošner, Zdeněk; Císařová, Ivana; Flieger, Miroslav; Kolařík, Miroslav; Baszczyňski, Ondřej","NMR Structure Elucidation of Naphthoquinones from Quambalaria cyanescens","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00930","","","1.54178","CuKα","","0.235","0.1091","","","0.2562","0.312","","","","","","1.236","","","","has coordinates","260022","2020-12-20","00:00:54",""
"1559814","6.1281","0.0002","27.1638","0.0005","28.2117","0.0007","90","","91.472","0.002","90","","4694.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzyl 3-(((4S,5R)-2-oxo-4,5-diphenyloxazolidin-3-yl)methyl)pentanoate","","- C28 H29 N O4 -","- C28 H29 N O4 -","- C224 H232 N8 O32 -","8","4","","Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe","A Giese reaction for electron-rich alkenes.","Chemical science","2020","12","6","2225","2230","10.1039/d0sc06341j","","x-ray","1.54184","CuKα","","0.0692","0.0553","","","0.1294","0.137","","","","","","1.037","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1559815","6.44725","0.00004","10.18619","0.00006","22.76512","0.00012","101.785","0.0005","91.4615","0.0005","98.5773","0.0005","1444.75","0.015","173","0.1","173","0.1","","","","","","","","4","P 1","P 1","1","","Ethyl 2-((8R,9S,13S,14S,16S,17S)-17-((tert-butyldimethylsilyl)oxy)-3-methoxy- 13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)acetate","","- C29 H46 O4 Si -","- C29 H46 O4 Si -","- C58 H92 O8 Si2 -","2","2","","Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe","A Giese reaction for electron-rich alkenes.","Chemical science","2020","12","6","2225","2230","10.1039/d0sc06341j","","x-ray","1.54184","CuKα","","0.0528","0.0501","","","0.138","0.1512","","","","","","1.081","","","","has coordinates","267083","2021-07-05","16:53:39",""
"1559816","6.1518","0.00006","60.5855","0.0006","6.15597","0.00007","90","","106.532","0.0011","90","","2199.54","0.04","90","0.9","90","0.9","","","","","","","","3","P 1 21 1","P 2yb","4","","(3S,8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-((R)-5-oxotetrahydrofuran-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate","","- C25 H36 O4 -","- C25 H36 O4 -","- C100 H144 O16 -","4","2","","Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe","A Giese reaction for electron-rich alkenes.","Chemical science","2020","12","6","2225","2230","10.1039/d0sc06341j","","x-ray","1.54184","CuKα","","0.0486","0.0455","","","0.1155","0.1192","","","","","","1.035","","","","has coordinates","267083","2021-07-05","16:53:39",""
"1559817","11.5844","0.0005","12.7186","0.0005","19.132","0.0007","86.186","0.003","77.9","0.003","80.916","0.003","2720.03","0.19","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C59 H46 B F21 Mg N2 -","- C59 H46 B F21 Mg N2 -","- C118 H92 B2 F42 Mg2 N4 -","2","1","","Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd","Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.","Chemical science","2020","12","7","2410","2418","10.1039/d0sc06321e","","x-ray","0.71073","MoKα","","0.0828","0.0535","","","0.1172","0.1324","","","","","","1.057","","","","has coordinates","267093","2021-07-05","16:57:10",""
"1559818","18.6127","0.0003","17.9643","0.0002","18.7424","0.0003","90","","102.994","0.0014","90","","6106.32","0.16","100","0.3","100","0.3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H58 B Br F20 Mg N2 -","- C65 H58 B Br F20 Mg N2 -","- C260 H232 B4 Br4 F80 Mg4 N8 -","4","1","","Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd","Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.","Chemical science","2020","12","7","2410","2418","10.1039/d0sc06321e","","x-ray","1.54184","CuKα","","0.0321","0.0298","","","0.0735","0.0751","","","","","","1.026","","","","has coordinates","267093","2021-07-05","16:57:10",""
"1559819","18.3734","0.0001","18.0983","0.0001","19.7295","0.0001","90","","98.061","0.001","90","","6495.77","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H63 B F22 Mg N2 -","- C71 H63 B F22 Mg N2 -","- C284 H252 B4 F88 Mg4 N8 -","4","1","","Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd","Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.","Chemical science","2020","12","7","2410","2418","10.1039/d0sc06321e","","x-ray","1.54184","CuKα","","0.0352","0.0307","","","0.0773","0.0792","","","","","","1.022","","","","has coordinates,has disorder","267093","2021-07-05","16:57:10",""
"1559820","11.3521","0.0003","15.9191","0.0005","24.738","0.0007","74.924","0.003","85.545","0.002","89.29","0.002","4303.5","0.2","100","0.6","100","0.6","","","","","","","","7","P -1","-P 1","2","","","","- C71 H63 Al2 F57 Mg N2 O6 -","- C71 H63 Al2 F57 Mg N2 O6 -","- C142 H126 Al4 F114 Mg2 N4 O12 -","2","1","","Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd","Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.","Chemical science","2020","12","7","2410","2418","10.1039/d0sc06321e","","x-ray","1.54184","CuKα","","0.0452","0.04","","","0.1001","0.1046","","","","","","1.024","","","","has coordinates,has disorder","267093","2021-07-05","16:57:10",""
"1559821","12.2177","0.0003","15.9583","0.0005","17.8965","0.0005","102.494","0.003","106.268","0.002","96.734","0.002","3210.89","0.17","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H56 B F23 Mg N2 -","- C71 H56 B F23 Mg N2 -","- C142 H112 B2 F46 Mg2 N4 -","2","1","","Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd","Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.","Chemical science","2020","12","7","2410","2418","10.1039/d0sc06321e","","x-ray","1.54184","CuKα","","0.0462","0.0403","","","0.102","0.1069","","","","","","1.052","","","","has coordinates,has disorder","267093","2021-07-05","16:57:10",""
"1559822","18.7237","0.0005","18.0226","0.0004","18.7649","0.0005","90","","102.692","0.003","90","","6177.5","0.3","100.02","0.16","100.02","0.16","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H58 B F20 I Mg N2 -","- C65 H58 B F20 I Mg N2 -","- C260 H232 B4 F80 I4 Mg4 N8 -","4","1","","Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd","Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.","Chemical science","2020","12","7","2410","2418","10.1039/d0sc06321e","","x-ray","0.71073","MoKα","","0.0569","0.0388","","","0.0844","0.0927","","","","","","1.021","","","","has coordinates","267093","2021-07-05","16:57:10",""
"1559823","15.8604","0.0011","11.0803","0.0008","9.0716","0.0006","90","","109.9","0.002","90","","1499.03","0.18","185","2","185.01","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.0502","0.0393","","","0.1014","0.1105","","","","","","1.073","","","","has coordinates","267086","2021-07-05","16:54:54",""
"1559824","8.895","0.0008","12.069","0.001","15.1617","0.0015","103.06","0.003","94.575","0.003","103.138","0.003","1529.2","0.2","180","2","180.01","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H64 F24 N8 P4 -","- C56 H64 F24 N8 P4 -","- C56 H64 F24 N8 P4 -","1","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.1146","0.0814","","","0.203","0.2294","","","","","","1.046","","","","has coordinates,has disorder","267086","2021-07-05","16:54:54",""
"1559825","17.127","0.0009","8.8196","0.0004","21.3425","0.0012","90","","103.355","0.002","90","","3136.7","0.3","153","2","153.01","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C56 H64 F24 N8 P4 -","- C56 H64 F24 N8 P4 -","- C112 H128 F48 N16 P8 -","2","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.093","0.0634","","","0.1539","0.1767","","","","","","1.035","","","","has coordinates,has disorder","267086","2021-07-05","16:54:54",""
"1559826","8.9095","0.0004","41.3302","0.0017","26.6661","0.0011","90","","90","","90","","9819.3","0.7","200","2","200.02","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C104 H100 Ag2 B2 N8 -","- C104 H100 Ag2 B2 N8 -","- C416 H400 Ag8 B8 N32 -","4","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.0453","0.0361","","","0.087","0.0931","","","","","","1.051","","","","has coordinates,has disorder","267086","2021-07-05","16:54:54",""
"1559827","8.0294","0.0008","19.1408","0.0016","19.9693","0.0018","90","","94.97","0.003","90","","3057.5","0.5","150","2","150.01","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C61.5 H44.5 F10.5 N9 O11.5 S3.5 -","- C61.5 H44.5 F10.5 N9 O11.5 S3.5 -","- C123 H89 F21 N18 O23 S7 -","2","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.0988","0.0686","","","0.1876","0.2131","","","","","","1.05","","","","has coordinates,has disorder","267086","2021-07-05","16:54:54",""
"1559828","9.2542","0.0012","15.7442","0.0018","9.9997","0.0013","90","","94.804","0.004","90","","1451.8","0.3","150","2","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 N8 -","- C40 H28 N8 -","- C80 H56 N16 -","2","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.0483","0.038","","","0.0905","0.0977","","","","","","1.058","","","","has coordinates","267086","2021-07-05","16:54:54",""
"1559829","6.4661","0.0011","8.1703","0.0013","10.3854","0.0017","69.264","0.005","78.354","0.005","79.8","0.006","499.2","0.14","180","2","179.98","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H18 N4 -","- C28 H18 N4 -","- C28 H18 N4 -","1","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.0638","0.0588","","","0.1394","0.1432","","","","","","1.104","","","","has coordinates","267086","2021-07-05","16:54:54",""
"1559830","11.3377","0.0003","6.6047","0.0002","10.713","0.0003","90","","117.072","0.001","90","","714.32","0.04","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B2 K2 O7 Pr2 -","- B2 K2 O7 Pr2 -","- B8 K8 O28 Pr8 -","4","1","","Chen, Pengyun; Murshed, M. Mangir; Gesing, Thorsten M.","Synthesis and characterization of K2Pr2O(BO3)2: structural, spectroscopic and thermogravimetric investigations of a novel potassium praseodymium oxoborate structure-type","SN Applied Sciences","2020","2","4","747","","10.1007/s42452-020-2553-2","","","0.71073","MoKα","","0.0566","0.0318","","","0.0401","0.0438","","","","","","1.043","","","","has coordinates","260041","2020-12-21","16:12:51",""
"1559831","10.4282","0.0003","17.3029","0.0006","13.7515","0.0004","90","","110.286","0.001","90","","2327.39","0.13","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B4 K3 Lu3 O12 -","- B4 K3 Lu3 O12 -","- B32 K24 Lu24 O96 -","8","2","","Chen, Pengyun; Murshed, M. Mangir; Gesing, Thorsten M.","Synthesis and crystal structures of novel alkali rare-earth orthoborates K3RE3(BO3)4 (RE = Pr, Nd, Sm‒Lu)","Journal of Materials Science","2020","56","5","3639","3652","10.1007/s10853-020-05506-5","","","0.71073","MoKα","","0.0493","0.0295","","","0.0353","0.0381","","","","","","1.086","","","","has coordinates","260048","2020-12-21","17:03:17",""
"1559832","10.4601","0.0003","17.355","0.0005","13.7625","0.0004","90","","110.336","0.001","90","","2342.65","0.12","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B4 K3 O12 Yb3 -","- B4 K3 O12 Yb3 -","- B32 K24 O96 Yb24 -","8","2","","Chen, Pengyun; Murshed, M. Mangir; Gesing, Thorsten M.","Synthesis and crystal structures of novel alkali rare-earth orthoborates K3RE3(BO3)4 (RE = Pr, Nd, Sm‒Lu)","Journal of Materials Science","2020","56","5","3639","3652","10.1007/s10853-020-05506-5","","","0.71073","MoKα","","0.0316","0.0224","","","0.0375","0.0395","","","","","","1.131","","","","has coordinates","260049","2020-12-21","17:07:00",""
"1559841","20.8225","0.0005","6.4118","0.0002","17.4976","0.0004","90","","90","","90","","2336.1","0.11","301","2","301","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- B9 Dy7 K3 Li3 O27 -","- B9 Dy7 K3 Li3 O27 -","- B36 Dy28 K12 Li12 O108 -","4","1","","Chen, P.Y.; Wang, Guirong","Syntheses, structure determination and characterization of two novel non-centrosymmetric mixed alkali rare-earth orthoborates: K3Li3RE7(BO3)9 (RE=Dy, Tb)","Solid State Sciences","2020","108","","106442","","10.1016/j.solidstatesciences.2020.106442","","","0.71073","MoKα","","0.0152","0.0151","","","0.0367","0.0368","","","","","","1.277","","","","has coordinates","260058","2020-12-21","18:03:53",""
"1559842","20.9218","0.0009","6.442","0.0003","17.5285","0.0008","90","","90","","90","","2362.46","0.18","299","2","299","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- B9 K3 Li3 O27 Tb7 -","- B9 K3 Li3 O27 Tb7 -","- B36 K12 Li12 O108 Tb28 -","4","1","","Chen, P.Y.; Wang, Guirong","Syntheses, structure determination and characterization of two novel non-centrosymmetric mixed alkali rare-earth orthoborates: K3Li3RE7(BO3)9 (RE=Dy, Tb)","Solid State Sciences","2020","108","","106442","","10.1016/j.solidstatesciences.2020.106442","","","0.71073","MoKα","","0.0235","0.0195","","","0.0305","0.0313","","","","","","1.069","","","","has coordinates","260059","2020-12-21","18:04:55",""
"1559843","17.708","0.01","9.156","0.005","9.221","0.005","90","","90.16","0.008","90","","1495","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Bi4 Cs4 O30 P8 Sr2 -","- Bi4 Cs4 O30 P8 Sr2 -","- Bi8 Cs8 O60 P16 Sr4 -","2","0.5","","Guo, Shaoxing; Chen, Pengyun; Song, Limei; Guo, Ping; Gao, Jianhua","A new mixed-anion phosphate Cs2Bi2Sr(P2O7)(PO4)2: Synthesis, characterization, structure and its Eu3±activated luminescence","Journal of Solid State Chemistry","2020","288","","121411","","10.1016/j.jssc.2020.121411","","","0.71073","MoKα","","0.0427","0.038","","","0.0866","0.0892","","","","","","1.034","","","","has coordinates","260060","2020-12-21","18:16:06",""
"1559844","9.2496","0.0004","10.5381","0.0004","21.9181","0.0008","90","","90","","90","","2136.43","0.15","100","2","99.86","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H20 B P -","- C10 H20 B P -","- C80 H160 B8 P8 -","8","1","","Resendiz-Lara, Diego A.; Annibale, Vincent T.; Knights, Alastair W.; Chitnis, Saurabh S.; Manners, Ian","High Molar Mass Poly(alkylphosphinoboranes) via Iron-Catalyzed Dehydropolymerization","Macromolecules","2020","","","","","10.1021/acs.macromol.0c02082","","","0.71073","MoKα","","0.052","0.0387","","","0.099","0.1063","","","","","","1.043","","","","has coordinates","260072","2020-12-22","00:38:14",""
"1559845","21.6511","0.0004","21.3564","0.0004","22.0916","0.0004","90","","90","","90","","10214.9","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C189 H28 S10 Th2 -","- C189 H28 S10.008 Th2 -","- C756 H112 S40.032 Th8 -","4","0.5","","Liu, Xinye; Li, Bo; Yang, Wei; Yao, Yang-Rong; Yang, Le; Zhuang, Jiaxin; Li, Xiaomeng; Jin, Peng; Chen, Ning","Synthesis and characterization of carbene derivatives of Th@<i>C</i> <sub>3v</sub>(8)-C<sub>82</sub> and U@<i>C</i> <sub>2v</sub>(9)-C<sub>82</sub>: exceptional chemical properties induced by strong actinide-carbon cage interaction.","Chemical science","2020","12","7","2488","2497","10.1039/d0sc06111e","","","1.54178","CuKα","","0.0305","0.0289","","","0.0748","0.0761","","","","","","1.06","","","","has coordinates,has disorder","267091","2021-07-05","16:56:32",""
"1559846","11.3037","0.0007","21.8879","0.0012","20.9098","0.0013","90","","101.257","0.003","90","","5073.9","0.5","120","2","119.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C93 H14 S2 U -","- C93 H14 S2 U -","- C372 H56 S8 U4 -","4","1","","Liu, Xinye; Li, Bo; Yang, Wei; Yao, Yang-Rong; Yang, Le; Zhuang, Jiaxin; Li, Xiaomeng; Jin, Peng; Chen, Ning","Synthesis and characterization of carbene derivatives of Th@<i>C</i> <sub>3v</sub>(8)-C<sub>82</sub> and U@<i>C</i> <sub>2v</sub>(9)-C<sub>82</sub>: exceptional chemical properties induced by strong actinide-carbon cage interaction.","Chemical science","2020","12","7","2488","2497","10.1039/d0sc06111e","","","1.54178","CuKα","","0.1287","0.0957","","","0.2438","0.2823","","","","","","1.05","","","","has coordinates","267091","2021-07-05","16:56:32",""
"1559847","5.9196","0.0003","7.3562","0.0004","21.1126","0.0012","90","","90","","90","","919.36","0.09","173","2","173.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2-<i>O</i>-Isopropylidene-β-D-<i>lyxo</i>-furanose","","- C8 H14 O5 -","- C8 H14 O5 -","- C32 H56 O20 -","4","1","ZQ4044","Doboszewski, Bogdan; Nazarenko, Alexander Y.","1,2-<i>O</i>-Isopropylidene-β-<small>D</small>-<i>lyxo</i>-furanose","IUCrData","2020","5","12","x201630","","10.1107/S2414314620016302","","","0.71073","MoKα","","0.0566","0.0425","","","0.1004","0.1086","","","","","","1.028","","","","has coordinates,has Fobs","260117","2020-12-23","06:30:04",""
"1559848","5.9216","0.0003","7.3539","0.0004","21.1087","0.0012","90","","90","","90","","919.22","0.09","173","2","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 O5 -","- C8 H14 O5 -","- C32 H56 O20 -","4","1","","Doboszewski, Bogdan; Nazarenko, Alexander Y.","1,2-<i>O</i>-Isopropylidene-β-<small>D</small>-<i>lyxo</i>-furanose","IUCrData","2020","5","12","x201630","","10.1107/S2414314620016302","","","1.54178","CuKα","","0.0775","0.0303","","","0.0757","0.0895","","","","","","1.052","","","","has coordinates","260118","2020-12-23","06:30:24",""
"1559849","4.9306","0.0001","15.7882","0.0005","21.0651","0.0006","90","","90","","90","","1639.82","0.08","173","2","173","","","","","","","","","3","P b c a","-P 2ac 2ab","61","1-naphthalenemethanol","Naphthalen-1-ylmethanol","","- C11 H10 O -","- C11 H10 O -","- C88 H80 O8 -","8","1","HB4373","Nazarenko, Alexander Y.","Naphthalen-1-ylmethanol","IUCrData","2020","5","12","x201646","","10.1107/S2414314620016466","","","0.71073","MoKα","","0.0712","0.0505","","","0.1282","0.1438","","","","","","1.035","","","","has coordinates,has Fobs","260119","2020-12-23","06:30:58",""
"1559850","16.6461","0.0014","17.2299","0.0016","24.132","0.002","90","","102.636","0.004","90","","6753.7","1","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H38 B2 Fe N10 -","- C34.888 H35.888 B2 Fe N10 -","- C279.104 H287.104 B16 Fe8 N80 -","8","1","","Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.","Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.","Chemical science","2020","12","6","2231","2241","10.1039/d0sc06466a","","","1.54178","CuKα","","0.0937","0.0441","","","0.1222","0.1395","","","","","","1.057","","","","has coordinates,has disorder","267085","2021-07-05","16:54:27",""
"1559851","12.5636","0.0009","13.684","0.001","20.5835","0.0017","98.128","0.005","100.359","0.005","115.218","0.005","3053.3","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H63 B4 Fe2 N20 -","- C65 H63 B4 Fe2 N20 -","- C130 H126 B8 Fe4 N40 -","2","1","","Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.","Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.","Chemical science","2020","12","6","2231","2241","10.1039/d0sc06466a","","","1.54178","CuKα","","0.0888","0.0546","","","0.1325","0.1502","","","","","","1.036","","","","has coordinates","267085","2021-07-05","16:54:29",""
"1559852","11.98","0.0002","25.1657","0.0005","14.4893","0.0003","90","","114.204","0.001","90","","3984.3","0.14","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H38 B2 F6 Fe N10 Sb -","- C37 H38 B2 F6 Fe N10 Sb -","- C148 H152 B8 F24 Fe4 N40 Sb4 -","4","1","","Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.","Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.","Chemical science","2020","12","6","2231","2241","10.1039/d0sc06466a","","","1.54178","CuKα","","0.0593","0.0447","","","0.1117","0.1195","","","","","","1.04","","","","has coordinates","267085","2021-07-05","16:54:38",""
"1559853","10.252","0.005","12.025","0.005","18.4","0.008","104.192","0.005","92.618","0.005","112.901","0.005","2000.4","1.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H41 B2 Br Fe N9 -","- C43 H41 B2 Br Fe N9 -","- C86 H82 B4 Br2 Fe2 N18 -","2","1","","Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.","Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.","Chemical science","2020","12","6","2231","2241","10.1039/d0sc06466a","","","0.71073","MoKα","","0.1238","0.0521","","","0.0779","0.0964","","","","","","0.997","","","","has coordinates","267085","2021-07-05","16:54:38",""
"1559854","8.245","0.0004","19.3287","0.001","18.0484","0.0009","90","","90","","90","","2876.3","0.2","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H29 B2 F Fe N9 -","- C31 H29 B2 F Fe N9 -","- C124 H116 B8 F4 Fe4 N36 -","4","0.5","","Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.","Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.","Chemical science","2020","12","6","2231","2241","10.1039/d0sc06466a","","","0.71073","MoKα","","0.0657","0.0432","","","0.1125","0.1285","","","","","","1.073","","","","has coordinates","267085","2021-07-05","16:54:38",""
"1559855","18.7182","0.0007","24.1607","0.0011","23.662","0.0009","90","","98.957","0.003","90","","10570.5","0.7","173","","173","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C45 H50 B2 Fe N10 O -","- C45 H50 B2 Fe N10 O -","- C360 H400 B16 Fe8 N80 O8 -","8","2","","Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.","Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.","Chemical science","2020","12","6","2231","2241","10.1039/d0sc06466a","","","1.54178","CuKα","","0.0915","0.0677","","","0.1758","0.1953","","","","","","1.029","","","","has coordinates,has disorder","267085","2021-07-05","16:54:38",""
"1559856","9.294","0.0005","15.3277","0.0007","11.7365","0.0005","90","","107.92","0.002","90","","1590.82","0.13","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C30 H50 B2 N2 Ni O2 P2 -","- C30 H49.532 B2 N2 Ni O2 P2 -","- C60 H99.064 B4 N4 Ni2 O4 P4 -","2","1","","Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor","Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>.","Chemical science","2020","12","7","2540","2548","10.1039/d0sc06014c","","","0.56087","AgKα","","0.0504","0.0425","","","0.0988","0.1029","","","","","","1.053","","","","has coordinates,has disorder","267094","2021-07-05","16:57:21",""
"1559857","9.273","0.002","18.201","0.004","11.69","0.003","90","","106.121","0.008","90","","1895.4","0.8","208","","208","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 B2 N2 O4 -","- C20 H24 B2 N2 O4 -","- C80 H96 B8 N8 O16 -","4","1","","Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor","Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>.","Chemical science","2020","12","7","2540","2548","10.1039/d0sc06014c","","","0.71073","MoKα","","0.0702","0.0522","","","0.1393","0.1548","","","","","","1.047","","","","has coordinates","267094","2021-07-05","16:57:21",""
"1559858","17.5213","0.0007","20.1284","0.0007","12.3444","0.0005","90","","90","","90","","4353.6","0.3","193","","193","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36 H55 B2 N3 Ni O4 P2 -","- C36 H55 B2 N3 Ni O4 P2 -","- C144 H220 B8 N12 Ni4 O16 P8 -","4","1","","Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor","Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>.","Chemical science","2020","12","7","2540","2548","10.1039/d0sc06014c","","","0.71073","MoKα","","0.0479","0.0377","","","0.0884","0.0931","","","","","","1.005","","","","has coordinates","267094","2021-07-05","16:57:21",""
"1559859","22.532","0.002","11.3598","0.0009","26.302","0.002","90","","104.066","0.004","90","","6530.4","0.9","193","","193","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H48 B2 N2 Ni O2 P2 -","- C30 H48 B2 N2 Ni O2 P2 -","- C240 H384 B16 N16 Ni8 O16 P16 -","8","1","","Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor","Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>.","Chemical science","2020","12","7","2540","2548","10.1039/d0sc06014c","","","0.71073","MoKα","","0.065","0.0397","","","0.0807","0.0961","","","","","","1.149","","","","has coordinates","267094","2021-07-05","16:57:21",""
"1559860","8.3399","0.0004","27.1397","0.0012","11.0226","0.0005","90","","100.071","0.004","90","","2456.4","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 K O8 -","- C25 H31 K O8 -","- C100 H124 K4 O32 -","4","1","","Ahmed, Jasimuddin; Datta, Paramita; Das, Arpan; Jomy, Stephy; Mandal, Swadhin K.","Switching between mono and doubly reduced odd alternant hydrocarbon: designing a redox catalyst.","Chemical science","2020","12","8","3039","3049","10.1039/d0sc05972b","","x-ray","1.54184","CuKα","","0.1199","0.1134","","","0.3001","0.3068","","","","","","1.045","","","","has coordinates","267050","2021-07-05","16:44:39",""
"1559861","14.2195","0.001","34.538","0.0019","13.8905","0.0009","90","","113.176","0.008","90","","6271.3","0.8","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H81 K2 N2 O14 -","- C66 H81 K2 N2 O14 -","- C264 H324 K8 N8 O56 -","4","1","","Ahmed, Jasimuddin; Datta, Paramita; Das, Arpan; Jomy, Stephy; Mandal, Swadhin K.","Switching between mono and doubly reduced odd alternant hydrocarbon: designing a redox catalyst.","Chemical science","2020","12","8","3039","3049","10.1039/d0sc05972b","","x-ray","1.54184","CuKα","","0.151","0.1198","","","0.3097","0.3471","","","","","","1.053","","","","has coordinates","267050","2021-07-05","16:44:50",""
"1559862","14.237","0.0001","18.7126","0.0002","19.1013","0.0002","90","","90","","90","","5088.8","0.08","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H69 K2 O14 -","- C51 H69 K2 O14 -","- C204 H276 K8 O56 -","4","1","","Ahmed, Jasimuddin; Datta, Paramita; Das, Arpan; Jomy, Stephy; Mandal, Swadhin K.","Switching between mono and doubly reduced odd alternant hydrocarbon: designing a redox catalyst.","Chemical science","2020","12","8","3039","3049","10.1039/d0sc05972b","","x-ray","1.54184","CuKα","","0.0415","0.0407","","","0.1069","0.1077","","","","","","1.028","","","","has coordinates","267050","2021-07-05","16:44:53",""
"1559865","9.5637","0.0003","9.5637","0.0003","36.3395","0.001","90","","90","","90","","3323.77","0.17","173","2","173.15","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","(+)-3-naphthoylcamphor","(1<i>R</i>,3<i>S</i>,4<i>R</i>)-1,7,7-Trimethyl-3-(naphthalen-2-ylcarbonyl)bicyclo[2.2.1]heptan-2-one","","- C21 H22 O2 -","- C21 H22 O2 -","- C168 H176 O16 -","8","1","BV4034","Bendia, Sabrina; Ouari, Kamel; Ait Ali, Mustapha; el Firdousi, Larbi; Nazarenko, Alexander Y.","1,7,7-Trimethyl-3-(naphthalen-2-ylcarbonyl)bicyclo[2.2.1]heptan-2-one","IUCrData","2020","5","12","x201662","","10.1107/S2414314620016624","","","1.54178","CuKα","","0.0455","0.0424","","","0.108","0.1102","","","","","","1.052","","","","has coordinates,has Fobs","260149","2020-12-25","05:40:25",""
"1559866","19.994","0.008","15.029","0.006","25.36","0.006","90","","94.394","0.01","90","","7598","5","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C130 H56 Cl0 Dy N4 Ni O0 S Sc -","- C130 H56 Dy N4 Ni S Sc -","- C520 H224 Dy4 N16 Ni4 S4 Sc4 -","4","1","","Cai, Wenting; Bocarsly, Joshua D.; Gomez, Ashley; Letona Lee, Rony J.; Metta-Magaña, Alejandro; Seshadri, Ram; Echegoyen, Luis","High blocking temperatures for DyScS endohedral fullerene single-molecule magnets","Chemical Science","2020","11","48","13129","13136","10.1039/D0SC05265E","","","0.71073","MoKα","","0.2615","0.1637","","","0.3514","0.3659","","","","","","1.488","","","","has coordinates,has disorder","260154","2020-12-26","01:40:24",""
"1559867","26.8856","0.0018","17.1624","0.0011","17.8103","0.0012","90","","106.578","0.003","90","","7876.4","0.9","150","2","150","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C256 H106 Dy2 N8 Ni2 S6 Sc2 -","- C256 H106 Dy2.0004 N8 Ni2 S6 Sc2.0004 -","- C512 H212 Dy4.0008 N16 Ni4 S12 Sc4.0008 -","2","0.25","","Cai, Wenting; Bocarsly, Joshua D.; Gomez, Ashley; Letona Lee, Rony J.; Metta-Magaña, Alejandro; Seshadri, Ram; Echegoyen, Luis","High blocking temperatures for DyScS endohedral fullerene single-molecule magnets","Chemical Science","2020","11","48","13129","13136","10.1039/D0SC05265E","","","0.71073","MoKα","","0.1966","0.1636","","","0.3708","0.3882","","","","","","1.647","","","","has coordinates,has disorder","260154","2020-12-26","01:40:25",""
"1559868","20.235","0.004","6.783","0.001","27.996","0.006","90","","90","","90","","3842.6","1.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","Keinan-31","Pentakis(t-butylsulfido)corannulene","","- C40 H50 S5 -","- C40 H50 S5 -","- C160 H200 S20 -","4","1","","Solel, Ephrath; Pappo, Doron; Reany, Ofer; Mejuch, Tom; Gershoni-Poranne, Renana; Botoshansky, Mark; Stanger, Amnon; Keinan, Ehud","Flat corannulene: when a transition state becomes a stable molecule","Chemical Science","2020","11","48","13015","13025","10.1039/D0SC04566G","","","0.71073","MoKα","","0.127","0.0791","","","0.2085","0.2449","","","","","","1.155","","","","has coordinates","260155","2020-12-26","01:41:20",""
"1559869","10.37","0.002","21.376","0.004","14.87","0.003","90","","90.74","0.02","90","","3295.9","1.1","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","Keinan-43 polymorph B","Decakis(t-butylsulfido)corannulene","","- C60 H90 S10 -","- C60 H90 S10 -","- C120 H180 S20 -","2","1","","Solel, Ephrath; Pappo, Doron; Reany, Ofer; Mejuch, Tom; Gershoni-Poranne, Renana; Botoshansky, Mark; Stanger, Amnon; Keinan, Ehud","Flat corannulene: when a transition state becomes a stable molecule","Chemical Science","2020","11","48","13015","13025","10.1039/D0SC04566G","","","0.71073","MoKα","","0.2521","0.0968","","","0.2413","0.3063","","","","","","0.872","","","","has coordinates","260155","2020-12-26","01:41:21",""
"1559870","20.793","0.004","20.793","0.004","16.882","0.003","90","","90","","120","","6321","2","240","1","240","1","","","","","","","","4","P 3","P 3","143","Keinan-58 Polymorph A","Decakis(t-butylsulfido)corannulene","","- C60 H94.33 O2.33 S10 -","- C60 H94.33 O2.33 S10 -","- C180 H282.99 O6.99 S30 -","3","1","","Solel, Ephrath; Pappo, Doron; Reany, Ofer; Mejuch, Tom; Gershoni-Poranne, Renana; Botoshansky, Mark; Stanger, Amnon; Keinan, Ehud","Flat corannulene: when a transition state becomes a stable molecule","Chemical Science","2020","11","48","13015","13025","10.1039/D0SC04566G","","","0.71073","MoKα","","0.1836","0.0995","","","0.2371","0.2722","","","","","","1.427","","","","has coordinates","260155","2020-12-26","01:41:22",""
"1559871","13.389","0.0004","13.389","0.0004","13.389","0.0004","90","","90","","90","","2400.18","0.12","","","298","","","","100","","","","","3","P m -3 n","-P 4n 2 3","223","CO2-rich melanophlogite","","CO2-rich melanophlogite","- C8 O108 Si46 -","- C7.7 O92 Si46 -","- C7.7 O92 Si46 -","1","0.0208333","","Kanzaki, M.","CO2 distribution in CO2-rich melanophlogite from Fortunillo, Tuscany, Italy","Journal of Mineralogical and Petrological Sciences","2020","115","","471","478","10.2465/jmps.200611","","","","","","","","","","","","","","","","","","","","","has coordinates","260156","2020-12-26","02:05:00",""
"1559872","13.3849","0.0003","13.3849","0.0003","13.3849","0.0003","90","","90","","90","","2397.98","0.09","","","298","","","","100","","","","","3","P m -3 n","-P 4n 2 3","223","CO2-rich melanophlogite treated at 500 C 5 min","","CO2-rich melanophlogite treated at 500 C 5 min","- C8 O108 Si46 -","- C5.876 O92 Si46 -","- C5.876 O92 Si46 -","1","0.0208333","","Kanzaki, M.","CO2 distribution in CO2-rich melanophlogite from Fortunillo, Tuscany, Italy : treated at 500 C","Journal of Mineralogical and Petrological Sciences","2020","115","","471","478","10.2465/jmps.200611","","","","","","","","","","","","","","","","","","","","","has coordinates","260157","2020-12-26","02:05:32",""
"1559873","13.3619","0.0004","13.3619","0.0004","13.3619","0.0004","90","","90","","90","","2385.64","0.12","","","298","","","","100","","","","","2","P m -3 n","-P 4n 2 3","223","CO2-rich melanophlogite treated at 1000 C 24H","","CO2-rich melanophlogite treated at 1000 C 24H","- O108 Si46 -","- O92 Si46 -","- O92 Si46 -","1","0.0208333","","Kanzaki, M.","CO2 distribution in CO2-rich melanophlogite from Fortunillo, Tuscany, Italy : treated at 1000 C","Journal of Mineralogical and Petrological Sciences","2020","115","","471","478","10.2465/jmps.200611","","","","","","","","","","","","","","","","","","","","","has coordinates","260158","2020-12-26","02:06:02",""
"1559874","11.8889","0.0004","14.4911","0.0005","14.9954","0.0005","90","","104.794","0.002","90","","2497.81","0.15","144","2","144","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H42 Cl6 D2 N2 O10 -","- C54 H42 Cl6 D2 N2 O10 -","- C108 H84 Cl12 D4 N4 O20 -","2","0.5","","Xiao, Wanlong; Mo, Yuhao; Guo, Jing; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming","Catalytic enantioselective synthesis of macrodiolides and their application in chiral recognition.","Chemical science","2020","12","8","2940","2947","10.1039/d0sc06162j","","","1.54178","CuKα","","0.0968","0.0869","","","0.2166","0.222","","","","","","1.079","","","","has coordinates,has disorder","267051","2021-07-05","16:45:04",""
"1559875","10.8152","0.0002","12.5754","0.0002","20.1202","0.0003","90","","90","","90","","2736.46","0.08","252","2","252","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N3 O5 -","- C30 H27 N3 O5 -","- C120 H108 N12 O20 -","4","1","","Xiao, Wanlong; Mo, Yuhao; Guo, Jing; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming","Catalytic enantioselective synthesis of macrodiolides and their application in chiral recognition.","Chemical science","2020","12","8","2940","2947","10.1039/d0sc06162j","","","1.54178","CuKα","","0.043","0.0363","","","0.0857","0.0925","","","","","","1.052","","","","has coordinates,has disorder","267051","2021-07-05","16:45:05",""
"1559876","19.2448","0.0005","19.2448","0.0005","26.8461","0.0008","90","","90","","90","","9942.8","0.5","193","2","193","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C55 H46 Cl2 N2 O11 -","- C55 H46 Cl2 N2 O11 -","- C440 H368 Cl16 N16 O88 -","8","1","","Xiao, Wanlong; Mo, Yuhao; Guo, Jing; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming","Catalytic enantioselective synthesis of macrodiolides and their application in chiral recognition.","Chemical science","2020","12","8","2940","2947","10.1039/d0sc06162j","","","0.71073","MoKα","","0.0791","0.0477","","","0.1107","0.133","","","","","","1.019","","","","has coordinates","267051","2021-07-05","16:45:05",""
"1559877","22.585","0.003","8.3154","0.001","17.9361","0.0018","90","","106.893","0.006","90","","3223.1","0.7","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-((5',5'''?-(4,4,9,9-Tetraoctyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b']- dithiophene-2,7-diyl)bis([2,2'-bithiophene]-5',5-diyl))- bis(methanylylidene))dimalononitrile","","- C72 H82 N4 S6 -","- C72 H82 N4 S6 -","- C144 H164 N8 S12 -","2","0.5","","Brunner, Pierre-Louis M.; Beaudoin, Daniel; Heskia, Alice; Maris, Thierry; Dubois, Marc-André; Wuest, James D.","Low-bandgap push‒pull molecules in polymer matrices for use in thin-film organic photovoltaic devices","Canadian Journal of Chemistry","2020","98","","564","574","10.1139/cjc-2020-0081","","x-ray","1.54178","CuKα","","0.1143","0.0603","","","0.1439","0.175","","","","","","1.014","","","","has coordinates,has Fobs","260186","2020-12-29","17:11:19",""
"1559878","11.4541","0.0003","13.8929","0.0003","22.6243","0.0006","86.6407","0.0015","80.1601","0.0014","69.4562","0.0012","3321.66","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","2,2'-((5',5'''?-(6,6,12,12-Tetraoctyl-6,12-dihydroindeno[1,2-b]- fluorene-2,8-diyl)bis([2'',2'''-bithiophene]-5'',5'-diyl))bis- (methanylylidene))dimalononitrile","","- C76 H86 N4 S4 -","- C76 H86 N4 S4 -","- C152 H172 N8 S8 -","2","1","","Brunner, Pierre-Louis M.; Beaudoin, Daniel; Heskia, Alice; Maris, Thierry; Dubois, Marc-André; Wuest, James D.","Low-bandgap push‒pull molecules in polymer matrices for use in thin-film organic photovoltaic devices","Canadian Journal of Chemistry","2020","98","","564","574","10.1139/cjc-2020-0081","","x-ray","1.54178","CuKα","","0.1137","0.0951","","","0.2893","0.3025","","","","","","1.073","","","","has coordinates,has Fobs","260187","2020-12-29","17:11:34",""
"1559879","25.6206","0.0005","6.7854","0.0001","9.7945","0.0002","90","","109.419","0.001","90","","1605.87","0.05","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetrakis(aqua)-bis(formato)-cobalt [3,3'-bipyridine]-6,6'(1H,1'H)-dione","","- C12 H18 Co N2 O10 -","- C12 H18 Co N2 O10 -","- C48 H72 Co4 N8 O40 -","4","0.5","","Mohan, Midhun; Rana, Love Karan; Maris, Thierry; Duong, Adam","Intercalated 2D+2D hydrogen-bonded sheets in co-crystals of cobalt salt with 1H,1'H-[3,3']bipyridinyl-6,6'-dione","Canadian Journal of Chemistry","2020","98","","347","351","10.1139/cjc-2019-0415","","x-ray","1.54178","CuKα","","0.0287","0.0253","","","0.0684","0.0712","","","","","","1.091","","","","has coordinates,has Fobs","260188","2020-12-29","17:38:26",""
"1559880","8.355","0.0004","10.408","0.0005","12.2948","0.0005","93.12","0.002","96.497","0.002","97.972","0.002","1049.33","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","(nitrato)-bis[6-(pyrazin-2-yl)-1,3,5-triazine-2,4-diamine]-copper(ii) nitrate","","- C14 H14 Cu N16 O6 -","- C14 H14 Cu N16 O6 -","- C28 H28 Cu2 N32 O12 -","2","1","","Rajak, Sanil; Schott, Olivier; Kaur, Prabhjyot; Maris, Thierry; Hanan, Gary S.; Duong, Adam","Synthesis, crystal structure, characterization of pyrazine diaminotriazine based complexes and their systematic comparative study with pyridyl diaminotriazine based complexes for light-driven hydrogen production","Polyhedron","2020","180","","114412","","10.1016/j.poly.2020.114412","","x-ray","1.34139","GaKα","","0.0642","0.0623","","","0.1645","0.1677","","","","","","1.097","","","","has coordinates,has Fobs","260190","2020-12-29","18:42:54",""
"1559881","7.9534","0.0003","10.3562","0.0004","14.6063","0.0006","100.637","0.002","104.771","0.002","97.685","0.002","1122.45","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","(methanol)-(nitrato)-bis[6-(pyrazin-2-yl)-1,3,5-triazine-2,4-diamine]-nickel(ii) nitrate","","- C15 H18 N16 Ni O7 -","- C15 H18 N16 Ni O7 -","- C30 H36 N32 Ni2 O14 -","2","1","","Rajak, Sanil; Schott, Olivier; Kaur, Prabhjyot; Maris, Thierry; Hanan, Gary S.; Duong, Adam","Synthesis, crystal structure, characterization of pyrazine diaminotriazine based complexes and their systematic comparative study with pyridyl diaminotriazine based complexes for light-driven hydrogen production","Polyhedron","2020","180","","114412","","10.1016/j.poly.2020.114412","","x-ray","1.34139","GaKα","","0.0594","0.0478","","","0.1144","0.1243","","","","","","1.038","","","","has coordinates,has Fobs","260191","2020-12-29","18:43:08",""
"1559882","7.6151","0.0002","12.9911","0.0004","17.461","0.0005","90","","90","","90","","1727.39","0.09","293.15","","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1","17F4","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","","Moe, The S.; Chaturonrutsamee, Suppisak; Bunteang, Samreang; Kuhakarn, Chutima; Prabpai, Samran; Surawatanawong, Panida; Chairoungdua, Arthit; Suksen, Kanoknetr; Akkarawongsapat, Radeekorn; Limthongkul, Jitra; Napaswad, Chanita; Nuntasaen, Narong; Reutrakul, Vichai","Boesenmaxane Diterpenoids from Boesenbergia maxwellii","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00629","","","1.54178","CuKα","","0.0747","0.0726","","","0.1912","0.1952","","","","","","1.046","","","","has coordinates","260215","2020-12-30","00:30:24",""
"1559883","11.8942","0.0002","24.6471","0.0004","14.7953","0.001","90","","110.06","0.008","90","","4074.2","0.4","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H36 B Cl3 F2 N2 O4 -","- C47 H36 B Cl3 F2 N2 O4 -","- C188 H144 B4 Cl12 F8 N8 O16 -","4","1","","Zatsikha, Yuriy V.; Blesener, Tanner S.; King, Alex J.; Healy, Andrew T.; Goff, Philip C.; Didukh, Natalia O.; Blank, David A.; Kovtun, Yuriy P.; Nemykin, Victor N.","Fully Conjugated Pyrene-BODIPY and Pyrene-BODIPY-Ferrocene Dyads and Triads: Synthesis, Characterization, and Selective Noncovalent Interactions with Nanocarbon Materials.","The journal of physical chemistry. B","2020","","","","","10.1021/acs.jpcb.0c10074","","","1.54187","CuKα","","0.1948","0.1027","","0.2312","0.1536","0.2312","","","","","","0.9563","","","","has coordinates","260216","2020-12-30","00:46:29",""
"1559884","12.1367","0.0006","14.2874","0.0006","14.5167","0.001","112.536","0.008","98.382","0.007","90.203","0.006","2295.3","0.3","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H43 B F2 N2 O4 -","- C63 H43 B F2 N2 O4 -","- C126 H86 B2 F4 N4 O8 -","2","1","","Zatsikha, Yuriy V.; Blesener, Tanner S.; King, Alex J.; Healy, Andrew T.; Goff, Philip C.; Didukh, Natalia O.; Blank, David A.; Kovtun, Yuriy P.; Nemykin, Victor N.","Fully Conjugated Pyrene-BODIPY and Pyrene-BODIPY-Ferrocene Dyads and Triads: Synthesis, Characterization, and Selective Noncovalent Interactions with Nanocarbon Materials.","The journal of physical chemistry. B","2020","","","","","10.1021/acs.jpcb.0c10074","","","0.71075","MoKα","","0.1701","0.0628","","0.2016","0.1058","0.2016","","","","","","1.0069","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1559885","26.767","0.004","15.402","0.003","20.763","0.006","90","","124.29","0.004","90","","7072","3","273.15","","273.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C H Cd Cl N O Zn0.02 -","- C86 H80 Cl8 N42 O20 Zn2 -","- C172 H160 Cl16 N84 O40 Zn4 -","2","0.25","","Xu, Wei-Tao; Luo, Yang; Zhao, Wei-Wei; Liu, Ming; Luo, Guang-Yan; Fan, Ying; Lin, Rui-Lian; Tao, Zhu; Xiao, Xin; Liu, Jing-Xin","Detecting Pesticide Dodine by Displacement of Fluorescent Acridine from Cucurbit[10]uril Macrocycle","Journal of Agricultural and Food Chemistry","2020","","","","","10.1021/acs.jafc.0c05577","","x-ray","0.71073","MoKα","","0.1003","0.0801","","","0.2768","0.3001","","","","","","1.087","","","","has coordinates,has disorder","260273","2020-12-31","00:09:22",""
"1559886","13.8061","0.0005","10.1122","0.0004","15.8955","0.0006","90","","91.4245","0.0011","90","","2218.49","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 N6 Ni2 O8 -","- C48 H50 N6 Ni2 O8 -","- C96 H100 N12 Ni4 O16 -","2","0.5","","Collett, Joel D.; Krause, Jeanette A.; Guan, Hairong","Multiweek Experiments for an Inorganic Chemistry Laboratory Course: Synthesis of Nickel Complexes Supported by a Tetradentate Ligand with a N2O2 Donor Set","Journal of Chemical Education","2020","","","","","10.1021/acs.jchemed.0c01117","","","0.71073","MoKα","","0.043","0.032","","","0.063","0.0679","","","","","","1.08","","","","has coordinates","260274","2020-12-31","00:19:05",""
"1559887","5.36239","0.00009","16.6313","0.0003","17.2165","0.0003","90","","90","","90","","1535.43","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 N2 Ni O2 -","- C20 H14 N2 Ni O2 -","- C80 H56 N8 Ni4 O8 -","4","1","","Collett, Joel D.; Krause, Jeanette A.; Guan, Hairong","Multiweek Experiments for an Inorganic Chemistry Laboratory Course: Synthesis of Nickel Complexes Supported by a Tetradentate Ligand with a N2O2 Donor Set","Journal of Chemical Education","2020","","","","","10.1021/acs.jchemed.0c01117","","","1.54178","CuKα","","0.0245","0.0236","","","0.0607","0.0613","","","","","","1.078","","","","has coordinates","260275","2020-12-31","00:19:34",""
"1559890","6.2203","0.0004","17.3233","0.0009","11.9123","0.0006","90","","92.951","0.005","90","","1281.92","0.12","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-4-hydroxy-4-oxo-but-2-enoate; (3-methoxy-2-thienyl)methyl- [2-[(7R)-7-(2-pyridyl)-10-oxaspiro[4.5]decan-7-yl]ethyl]ammonium","","- C26 H34 N2 O6 S -","- C26 H34 N2 O6 S -","- C52 H68 N4 O12 S2 -","2","1","","Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng","Trace mild acid-catalysed <i>Z</i> →<i>E</i> isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery.","Chemical science","2020","12","7","2614","2622","10.1039/d0sc05213b","","","1.54184","CuKα","","0.0669","0.0543","","","0.1535","0.1715","","","","","","1.068","","","","has coordinates","267092","2021-07-05","16:56:39",""
"1559891","11.9345","0.0013","7.2394","0.0008","22.679","0.002","90","","99.029","0.011","90","","1935.2","0.4","293","2","293.15","","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C26 H25 O -","- C26 H25 O -","- C104 H100 O4 -","4","1","","Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng","Trace mild acid-catalysed <i>Z</i> →<i>E</i> isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery.","Chemical science","2020","12","7","2614","2622","10.1039/d0sc05213b","","x-ray","0.71073","MoKα","","0.0749","0.053","","","0.1194","0.1344","","","","","","1.046","","","","has coordinates","267092","2021-07-05","16:56:39",""
"1559892","9.4684","0.0006","10.1128","0.0006","11.1589","0.0009","111.746","0.007","114.773","0.007","91.316","0.005","880.77","0.13","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O -","- C23 H24 O -","- C46 H48 O2 -","2","1","","Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng","Trace mild acid-catalysed <i>Z</i> →<i>E</i> isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery.","Chemical science","2020","12","7","2614","2622","10.1039/d0sc05213b","","x-ray","0.71073","MoKα","","0.0685","0.0473","","","0.1125","0.1276","","","","","","1.03","","","","has coordinates","267092","2021-07-05","16:56:39",""
"1559896","27.827","0.0011","27.827","0.0011","21.2262","0.0007","90","","90","","120","","14234.3","0.9","100","","100","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","N2,N2',N2''-(2,4,6-trimethylbenzene-1,3,5-triyl) tris[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] unknown solvate","","- C27 H33 N33 -","- C27 H33 N33 -","- C162 H198 N198 -","6","0.5","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.1187","0.0927","","","0.2953","0.3123","","","","","","1.025","","","","has coordinates,has disorder","260349","2021-01-02","01:34:21",""
"1559897","10.9174","0.0004","18.9758","0.0008","13.2699","0.0005","90","","93.486","0.002","90","","2743.99","0.18","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N2-(4,6-diamino-1,3,5-triazin-2-yl) -N2-phenyl-1,3,5-triazine-2,4,6-triamine dimethyl sulfoxide solvate","","- C18 H31 N11 O3 S3 -","- C18 H31 N11 O3 S3 -","- C72 H124 N44 O12 S12 -","4","0.5","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.0598","0.0573","","","0.1544","0.1573","","","","","","1.047","","","","has coordinates,has disorder","260350","2021-01-02","01:34:33",""
"1559898","25.072","0.004","13.115","0.002","20.79","0.003","90","","112.824","0.006","90","","6300.9","1.7","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N2,N2'-(1,2-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] dimethyl sulfoxide solvate hydrate","","- C40 H70 N44 O11 S2 -","- C40 H70 N44 O11 S2 -","- C160 H280 N176 O44 S8 -","4","0.5","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.0645","0.0637","","","0.1772","0.1779","","","","","","1.057","","","","has coordinates,has disorder","260351","2021-01-02","01:34:45",""
"1559899","16.7736","0.0004","21.5283","0.0005","22.2754","0.0005","90","","90","","90","","8043.8","0.3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N2,N2'-(1,3-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] dimethyl sulfoxide solvate","","- C26 H44 N22 O4 S4 -","- C26 H44 N22 O4 S4 -","- C208 H352 N176 O32 S32 -","8","1","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.34139","GaKα","","0.0716","0.0658","","","0.1926","0.1973","","","","","","1.038","","","","has coordinates,has disorder","260352","2021-01-02","01:34:58",""
"1559900","21.2871","0.0005","21.2871","0.0005","32.0541","0.0007","90","","90","","90","","14525","0.6","150","","150","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","N2,N2'-(1,3-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] dimethyl sulfoxide solvate","","- C18 H20 N22 -","- C18 H20 N22 -","- C144 H160 N176 -","8","1","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.34139","GaKα","","0.0815","0.0491","","","0.1487","0.1709","","","","","","0.956","","","","has coordinates","260354","2021-01-02","01:35:12",""
"1559901","22.6297","0.0005","16.5486","0.0004","21.7786","0.0005","90","","90","","90","","8155.9","0.3","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","N2,N2'-(1,4-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] dimethyl sulfoxide unknown solvate","","- C24 H38 N22 O3 S3 -","- C24 H38 N22 O3 S3 -","- C192 H304 N176 O24 S24 -","8","1","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.0879","0.0855","","","0.2383","0.2397","","","","","","1.079","","","","has coordinates,has disorder","260355","2021-01-02","01:35:23",""
"1559902","16.7222","0.0007","22.2116","0.0009","16.9061","0.0007","90","","119.267","0.002","90","","5477.8","0.4","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N2,N2'-(1,4-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] benzene dimethyl sulfoxide solvate","","- C40 H62 N22 O5 S5 -","- C40 H62 N22 O5 S5 -","- C160 H248 N88 O20 S20 -","4","1","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.0735","0.0699","","","0.2062","0.2088","","","","","","1.035","","","","has coordinates,has disorder","260356","2021-01-02","01:35:41",""
"1559903","29.648","0.003","34.503","0.003","17.411","0.0015","90","","107.839","0.004","90","","16954","3","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","N2,N2',N2''-(benzene-1,3,5-triyl)tris[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] unknown solvate","","- C24 H27 N33 -","- C24 H27 N33 -","- C192 H216 N264 -","8","1","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.1043","0.0969","","","0.3721","0.3901","","","","","","1.083","","","","has coordinates","260357","2021-01-02","01:35:52",""
"1559904","10.6206","0.0003","14.3962","0.0004","19.5412","0.0006","90","","100.687","0.001","90","","2935.95","0.15","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(μ-dihydrogen phosphinato)-(μ-methyl phosphito)-tetrakis(6-(2-pyridyl) -1,3,5-triazine-2,4-diamine)-di-iron dinitrate methanol solvate","","- C36.25 H50 Fe2 N26 O14.25 P2 -","- C36.25 H50 Fe2 N26 O14.25 P2 -","- C72.5 H100 Fe4 N52 O28.5 P4 -","2","0.5","","Rajak, Sanil; Schott, Olivier; Kaur, Prabhjyot; Maris, Thierry; Hanan, Garry S.; Duong, Adam","Design of a [FeFe] macrocyclic metallotecton for light-driven hydrogen evolution reaction","International Journal Of Hydrogen Energy","2020","45","","2699","2708","10.1016/j.ijhydene.2019.11.141","","x-ray","1.34139","GaKα","","0.0603","0.0564","","","0.1691","0.1739","","","","","","1.08","","","","has coordinates,has disorder","260360","2021-01-02","03:19:16",""
"1559917","15.8859","0.0003","18.0676","0.0003","29.0581","0.0005","90","","90","","90","","8340.3","0.3","133","2","133","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C46 H54 N4 O4 -","- C46 H54 N4 O4 -","- C368 H432 N32 O32 -","8","1","","Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes","Industrial & Engineering Chemistry Research","2020","59","52","22398","22412","10.1021/acs.iecr.0c05087","","","0.71073","MoKα","","0.084","0.0657","","","0.1375","0.1483","","","","","","1.118","","","","has coordinates","260400","2021-01-03","22:55:11",""
"1559918","29.7268","0.0014","8.238","0.0005","14.9613","0.0008","90","","96.354","0.003","90","","3641.4","0.3","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 N4 O6 -","- C42 H42 N4 O6 -","- C168 H168 N16 O24 -","4","0.5","","Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes","Industrial & Engineering Chemistry Research","2020","59","52","22398","22412","10.1021/acs.iecr.0c05087","","","0.71073","MoKα","","0.11","0.0816","","","0.1521","0.165","","","","","","1.201","","","","has coordinates","260400","2021-01-03","22:55:13",""
"1559919","19.0748","0.0003","24.0435","0.0005","10.5241","0.0002","90","","100.108","0.001","90","","4751.7","0.15","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H46 N4 O -","- C65 H46 N4 O -","- C260 H184 N16 O4 -","4","1","","Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes","Industrial & Engineering Chemistry Research","2020","59","52","22398","22412","10.1021/acs.iecr.0c05087","","","0.71073","MoKα","","0.0993","0.0732","","","0.1659","0.1822","","","","","","1.072","","","","has coordinates","260400","2021-01-03","22:55:13",""
"1559920","13.3675","0.0002","17.592","0.0003","23.6397","0.0003","90","","103.771","0.001","90","","5399.34","0.14","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C114 H103 Cl8 Hg4 N11 O -","- C114 H103 Cl8 Hg4 N11 O -","- C228 H206 Cl16 Hg8 N22 O2 -","2","0.5","","Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes","Industrial & Engineering Chemistry Research","2020","59","52","22398","22412","10.1021/acs.iecr.0c05087","","","0.71073","MoKα","","0.065","0.0523","","","0.1275","0.1368","","","","","","1.028","","","","has coordinates,has disorder","260400","2021-01-03","22:55:13",""
"1559921","14.1838","0.0004","16.5506","0.0005","18.2325","0.0005","90","","107.324","0.001","90","","4085.9","0.2","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H38 Cl4 Hg2 N4 -","- C42 H38 Cl4 Hg2 N4 -","- C168 H152 Cl16 Hg8 N16 -","4","0.5","","Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes","Industrial & Engineering Chemistry Research","2020","59","52","22398","22412","10.1021/acs.iecr.0c05087","","","0.71073","MoKα","","0.0528","0.0412","","","0.0853","0.0914","","","","","","1.173","","","","has coordinates","260400","2021-01-03","22:55:13",""
"1559922","24.931","0.0005","17.1047","0.0003","19.0875","0.0004","90","","118.802","0.001","90","","7132.7","0.3","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H50 Cl8 Hg3 N6 -","- C68 H50 Cl8 Hg3 N6 -","- C272 H200 Cl32 Hg12 N24 -","4","0.5","","Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes","Industrial & Engineering Chemistry Research","2020","59","52","22398","22412","10.1021/acs.iecr.0c05087","","","0.71073","MoKα","","0.0506","0.0393","","","0.081","0.0861","","","","","","1.069","","","","has coordinates","260400","2021-01-03","22:55:13",""
"1559923","11.5284","0.0002","13.0274","0.0002","17.2404","0.0002","90","","90","","90","","2589.25","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Asperginol A","","","- C27 H40 O6 -","- C27 H40 O6 -","- C108 H160 O24 -","4","1","","Al-Khdhairawi, Amjad Ayad Qatran; Low, Yun-Yee; Manshoor, Nurhuda; Arya, Aditya; Jelecki, Maciej; Alshawsh, Mohammed Abdullah; Kamran, Sareh; Suliman, Rasha Saad; Low, Anis; Shivanagere Nagojappa, Narendra Babu; Weber, Jean-Frédéric F","Asperginols A and B, Diterpene Pyrones, from an <i>Aspergillus</i> sp. and the Structure Revision of Previously Reported Analogues.","Journal of natural products","2020","83","12","3564","3570","10.1021/acs.jnatprod.0c00618","","x-ray","1.54184","CuKα","","0.0457","0.0405","","","0.1065","0.1118","","","","","","1.034","","","","has coordinates","260401","2021-01-04","00:29:35",""
"1559924","12.4336","0.0005","17.1372","0.0006","17.1518","0.0012","90","","110.001","0.006","90","","3434.2","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Asperginol B","","","- C27 H40 O5 -","- C27 H40 O5 -","- C108 H160 O20 -","4","2","","Al-Khdhairawi, Amjad Ayad Qatran; Low, Yun-Yee; Manshoor, Nurhuda; Arya, Aditya; Jelecki, Maciej; Alshawsh, Mohammed Abdullah; Kamran, Sareh; Suliman, Rasha Saad; Low, Anis; Shivanagere Nagojappa, Narendra Babu; Weber, Jean-Frédéric F","Asperginols A and B, Diterpene Pyrones, from an <i>Aspergillus</i> sp. and the Structure Revision of Previously Reported Analogues.","Journal of natural products","2020","83","12","3564","3570","10.1021/acs.jnatprod.0c00618","","","1.54184","CuKα","","0.0615","0.0527","","","0.1495","0.1632","","","","","","0.936","","","","has coordinates","260402","2021-01-04","00:29:57",""
"1559925","7.2637","0.0003","11.5713","0.0005","25.4564","0.001","90","","90","","90","","2139.62","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O8 -","- C23 H32 O8 -","- C92 H128 O32 -","4","1","","Dai, Jia-Meng; Hu, Kun; Yan, Bing-Chao; Li, Xing-Ren; Li, Xiao-Nian; Sun, Han-Dong; Puno, Pema-Tenzin","<i>ent</i>-Kaurane-Based Diterpenoids, Dimers, and Meroditerpenoids from <i>Isodon xerophilus</i>.","Journal of natural products","2020","83","12","3717","3725","10.1021/acs.jnatprod.0c00983","","","1.54178","CuKα","","0.0262","0.0261","","","0.0676","0.0676","","","","","","1.048","","","","has coordinates","260403","2021-01-04","00:30:35",""
"1559926","8.3567","0.0002","8.3567","0.0002","54.4587","0.0014","90","","90","","90","","3803.09","0.16","100","2","100","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C21 H30 O6 -","- C21 H30 O6 -","- C168 H240 O48 -","8","1","","Dai, Jia-Meng; Hu, Kun; Yan, Bing-Chao; Li, Xing-Ren; Li, Xiao-Nian; Sun, Han-Dong; Puno, Pema-Tenzin","<i>ent</i>-Kaurane-Based Diterpenoids, Dimers, and Meroditerpenoids from <i>Isodon xerophilus</i>.","Journal of natural products","2020","83","12","3717","3725","10.1021/acs.jnatprod.0c00983","","","1.54178","CuKα","","0.0278","0.0276","","","0.0731","0.0732","","","","","","1.037","","","","has coordinates","260404","2021-01-04","00:31:00",""
"1559930","9.9522","0.0005","7.8338","0.0004","10.6286","0.0005","90","","110.972","0.002","90","","773.75","0.07","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N'-bis(4-methoxybenzylidene) Ethylenediamine","(E,E)-N,N'-1,2-Ethanediylbis[1-(4-methoxyphenyl)methanimine]","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","0.5","","Ndiolene, Adrienne; Diop, Tidiane; Sembene Boye, Mouhamadou; Maris, Thierry; Diasse-Sar, Aminata","Synthesis, Spectroscopic Studies and Crystal Structures of N,N'-bis(4-methoxybenzylidene) Ethylenediamine and its New Cadmium(II) Complex","American Journal Of Heterocyclic Chemistry","2020","6","","30","35","10.11648/j.ajhc.20200602.13","","x-ray","1.54178","CuKα","","0.0448","0.0425","","","0.1156","0.1186","","","","","","1.07","","","","has coordinates,has Fobs","260456","2021-01-04","17:24:13",""
"1559962","12.9774","0.0005","14.6762","0.0007","16.775","0.0006","66.578","0.004","77.956","0.003","81.343","0.004","2859","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","Di-μ-benzoato-di-μ-ethanolato-tetrakis[μ~3~-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-1-ium-3-olato]tetrakis[μ~3~-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-3-olato]di-μ~3~-oxido-heptamanganese(II,III) ethanol octasolvate","","- C98 H135 Mn7 N8 O40 -","- C84 H102 Mn7 N8 O33 -","- C84 H102 Mn7 N8 O33 -","1","0.5","BH4058","Saha, Arpita; Padgett, Clifford W.; LeMagueres, Pierre; Moncur, Kiana; Onajobi, Glory","Di-μ-benzoato-di-μ-ethanolato-tetrakis[μ3-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-1-ium-3-olato]tetrakis[μ3-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-3-olato]di-μ3-oxido-heptamanganese(II,III) ethanol octasolvate","IUCrData","2020","6","1","","","10.1107/S2414314620016430","","x-ray","0.71073","MoKα","","0.0619","0.0479","","","0.1338","0.1412","","","","","","1.07","","","","has coordinates,has Fobs","260563","2021-01-06","05:56:53",""
"1559972","12.1056","0.0008","5.5177","0.0004","12.5617","0.0008","90","","90.063","0.002","90","","839.06","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 F N3 S -","- C7 H8 F N3 S -","- C28 H32 F4 N12 S4 -","4","1","","OSMAN, Uwaisulqarni M.; SILVARAJOO, Sharmili; BHAT, Irshad Ul Haq; RAZALI, Mohd Hasmizam; ROZAINI, Mohd Zul Helmi; RAVOOF, Thahira Begum S. A.","Crystal Structure of (<i>Z</i>)-4-[4-Fluorophenyl]thiosemicarbazide<sup>4</sup>","X-ray Structure Analysis Online","2020","36","0","49","50","10.2116/xraystruct.36.49","","","0.71073","MoKα","","0.0946","0.0549","","","0.1196","0.1377","","","","","","1.044","","","","has coordinates","260830","2021-01-07","07:21:47",""
"1559973","7.6002","0.0003","13.6714","0.0005","14.7436","0.0005","97.065","0.003","101.868","0.003","93.363","0.003","1482.24","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H40 Cl2 N2 Ni O4 -","- C29 H40 Cl2 N2 Ni O4 -","- C58 H80 Cl4 N4 Ni2 O8 -","2","1","","Lukyanov, Daniil A.; Borisova, Anna S.; Levin, Oleg V.","6,6′-{[Ethane-1,2-diylbis(azaneylylidene)]bis(methaneylylidene)}bis[2-(hexyloxy)phenolato] Nickel(II)","Molbank","2020","2020","4","M1174","","10.3390/M1174","","x-ray","0.71073","MoKα","","0.051","0.0355","","","0.0759","0.0833","","","","","","1.043","","","","has coordinates","260831","2021-01-07","15:41:42",""
"1559974","8.882","0.0006","11.638","0.0007","18.0177","0.001","90","","100.305","0.002","90","","1832.42","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","10,12-dimethoxy-7-phenyl-5H,7H-7λ4,14λ4-benzo[d]benzo[5,6][1,3,2]oxazaborinino[2,3-b][1,3,2]oxazaborinin-5-one","","- C22 H18 B N O5 -","- C22 H18 B N O5 -","- C88 H72 B4 N4 O20 -","4","1","","Guieu, Samuel; Esteves, Cátia I C; Rocha, João; Silva, Artur M. S.","Multicomponent Synthesis of Luminescent Iminoboronates.","Molecules (Basel, Switzerland)","2020","25","24","6039","","10.3390/molecules25246039","","","0.71073","MoKα","","0.1052","0.06","","","0.1091","0.1243","","","","","","1.063","","","","has coordinates","260832","2021-01-07","16:06:01",""
"1559975","28.3","0.002","7.6129","0.0007","17.6359","0.0014","90","","121.819","0.004","90","","3228.6","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 B N O3 -","- C20 H14 B N O3 -","- C160 H112 B8 N8 O24 -","8","1","","Guieu, Samuel; Esteves, Cátia I C; Rocha, João; Silva, Artur M. S.","Multicomponent Synthesis of Luminescent Iminoboronates.","Molecules (Basel, Switzerland)","2020","25","24","6039","","10.3390/molecules25246039","","","0.71073","MoKα","","0.1076","0.0663","","","0.139","0.1549","","","","","","1.128","","","","has coordinates","260833","2021-01-07","16:06:26",""
"1559976","11.1926","0.0005","10.5497","0.0005","15.8352","0.0008","90","","91.214","0.002","90","","1869.38","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","10,12-dihydroxy-7-phenyl-5H,7H-7l4,14l4-benzo[d]benzo[5,6][1,3,2]oxazaborinino[2,3-b][1,3,2]oxazaborinin-5-one","","- C21 H18 B N O6 -","- C21 H18 B N O6 -","- C84 H72 B4 N4 O24 -","4","1","","Guieu, Samuel; Esteves, Cátia I C; Rocha, João; Silva, Artur M. S.","Multicomponent Synthesis of Luminescent Iminoboronates.","Molecules (Basel, Switzerland)","2020","25","24","6039","","10.3390/molecules25246039","","","0.71073","MoKα","","0.0533","0.0418","","","0.114","0.1203","","","","","","1.098","","","","has coordinates","260834","2021-01-07","16:06:49",""
"1559977","13.044","0.0008","9.8669","0.0006","18.6798","0.0011","90","","98.266","0.001","90","","2379.2","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H29 B17 N2 Ni -","- C14 H29 B17 N2 Ni -","- C56 H116 B68 N8 Ni4 -","4","1","","Andreichuk, Ekaterina P.; Anufriev, Sergey A.; Suponitsky, Kyrill Yu; Sivaev, Igor B.","The First Nickelacarborane with <i>closo</i>-<i>nido</i> Structure.","Molecules (Basel, Switzerland)","2020","25","24","6009","","10.3390/molecules25246009","","","0.71073","MoKα","","0.0785","0.0408","","","0.0843","0.099","","","","","","1.02","","","","has coordinates","260835","2021-01-07","16:07:14",""
"1559984","14.315","0.004","21.977","0.006","26.509","0.009","90","","95.58","0.003","90","","8300","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Sm2-biph-K2","","- C84 H116 Fe2 K2 N4 Si4 Sm2 -","- C84 H116 Fe2 K2 N4 Si4 Sm2 -","- C336 H464 Fe8 K8 N16 Si16 Sm8 -","4","0.5","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","","0.71073","MoKα","","0.0347","0.028","","","0.0611","0.0648","","","","","","1.032","","","","has coordinates,has disorder","267046","2021-07-05","16:43:55",""
"1559985","13.9723","0.0002","15.8539","0.0002","16.9858","0.0002","90","","90","","90","","3762.62","0.08","180","0.1","180","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(NNTBS)Yb(THF)3","","- C34 H62 Fe N2 O3 Si2 Yb -","- C34 H62 Fe N2 O3 Si2 Yb -","- C136 H248 Fe4 N8 O12 Si8 Yb4 -","4","1","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","x-ray","0.71073","MoKα","","0.0183","0.0175","","","0.0397","0.0399","","","","","","1.033","","","","has coordinates","267046","2021-07-05","16:43:55",""
"1559986","11.5553","0.0005","12.3812","0.0006","12.4512","0.0006","112.215","0.005","96.684","0.004","113.262","0.004","1439.25","0.16","179.99","0.1","179.99","0.1","","","","","","","","7","P -1","-P 1","2","","[(NNTBS)Yb(THF)]2","","- C52 H92 Fe2 N4 O2 Si4 Yb2 -","- C52 H92 Fe2 N4 O2 Si4 Yb2 -","- C52 H92 Fe2 N4 O2 Si4 Yb2 -","1","0.5","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","x-ray","0.71073","MoKα","","0.0845","0.0752","","","0.1838","0.1914","","","","","","1.064","","","","has coordinates,has disorder","267046","2021-07-05","16:43:55",""
"1559987","15.0158","0.0004","15.8062","0.0004","28.2213","0.0007","83.357","0.002","79.591","0.002","66.665","0.002","6041.8","0.3","180","0.1","180","0.1","","","","","","","","8","P -1","-P 1","2","","Sm2-biph-K2(18C6)2","","- C104 H182 Fe2 K2 N4 O18 Si4 Sm2 -","- C104 H182 Fe2 K2 N4 O18 Si4 Sm2 -","- C208 H364 Fe4 K4 N8 O36 Si8 Sm4 -","2","1","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","x-ray","0.71073","MoKα","","0.0426","0.0313","","","0.0748","0.0795","","","","","","1.032","","","","has coordinates,has disorder","267046","2021-07-05","16:43:55",""
"1559988","11.3145","0.0002","13.0374","0.0002","14.2432","0.0002","87.291","0.001","81.628","0.001","71.282","0.002","1968.71","0.06","179.99","0.1","179.99","0.1","","","","","","","","7","P -1","-P 1","2","","(NNTBS)Yb(k3-18C6)","","- C34 H62 Fe N2 O6 Si2 Yb -","- C34 H62 Fe N2 O6 Si2 Yb -","- C68 H124 Fe2 N4 O12 Si4 Yb2 -","2","1","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","x-ray","0.71073","MoKα","","0.0244","0.0214","","","0.0533","0.0545","","","","","","1.025","","","","has coordinates,has disorder","267046","2021-07-05","16:43:55",""
"1559989","13.2467","0.0016","18.78","0.002","14.5436","0.0017","90","","100.579","0.001","90","","3556.6","0.7","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Yb2-K2-biph","","- C64 H106 Fe2 K2 N4 O2 Si4 Yb2 -","- C64 H106 Fe2 K2 N4 O2 Si4 Yb2 -","- C128 H212 Fe4 K4 N8 O4 Si8 Yb4 -","2","0.5","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","","0.71073","MoKα","","0.0365","0.0297","","","0.0645","0.0667","","","","","","1.104","","","","has coordinates","267046","2021-07-05","16:43:55",""
"1559990","10.201","0.0003","33.0414","0.0012","12.1739","0.0003","90","","105.418","0.003","90","","3955.6","0.2","180","0.1","180","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","(NNTSB)Yb(k4-18C6)","","- C34 H62 Fe N2 O6 Si2 Yb -","- C34 H62 Fe N2 O6 Si2 Yb -","- C136 H248 Fe4 N8 O24 Si8 Yb4 -","4","2","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","x-ray","0.71073","MoKα","","0.0524","0.0439","","","0.0829","0.0851","","","","","","1.017","","","","has coordinates,has disorder","267046","2021-07-05","16:43:55",""
"1559991","26.9077","0.0006","7.4341","0.0003","11.4663","0.0016","90","","100.496","0.004","90","","2255.3","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","FcNMe2SO3Heptene","","- C23 H35 Fe N O3 S -","- C23 H35 Fe N O3 S -","- C92 H140 Fe4 N4 O12 S4 -","4","1","","Bitter, Stefan; Schlötter, Moritz; Schilling, Markus; Krumova, Marina; Polarz, Sebastian; Winter, Rainer F.","Ferro-self-assembly: magnetic and electrochemical adaptation of a multiresponsive zwitterionic metalloamphiphile showing a shape-hysteresis effect.","Chemical science","2020","12","1","270","281","10.1039/d0sc05249c","","","0.71073","MoKα","","0.0682","0.0463","","","0.1012","0.1147","","","","","","1.082","","","","has coordinates","267044","2021-07-05","16:43:03",""
"1559997","9.7932","0.0005","13.0955","0.0006","19.8473","0.001","90","","93.9044","0.0018","90","","2539.4","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H40 Cl O2 P Pd -","- C23 H40 Cl O2 P Pd -","- C92 H160 Cl4 O8 P4 Pd4 -","4","1","","Kim, Daeun; Choi, Geunho; Kim, Weonjeong; Kim, Dongwook; Kang, Youn K.; Hong, Soon Hyeok","The site-selectivity and mechanism of Pd-catalyzed C(sp<sup>2</sup>)-H arylation of simple arenes.","Chemical science","2020","12","1","363","373","10.1039/d0sc05414c","","","0.71073","MoKα","","0.0629","0.0604","","","0.1539","0.1551","","","","","","1.225","","","","has coordinates","267048","2021-07-05","16:44:13",""
"1559998","17.6663","0.0002","16.9578","0.0002","26.7308","0.0003","90","","106.76","","90","","7667.88","0.15","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H53 N5 Ni S2 U2 -","- C126 H53 N5 Ni S2 U2 -","- C504 H212 N20 Ni4 S8 U8 -","4","1","","Li, Xiaomeng; Roselló, Yannick; Yao, Yang-Rong; Zhuang, Jiaxin; Zhang, Xingxing; Rodríguez-Fortea, Antonio; de Graaf, Coen; Echegoyen, Luis; Poblet, Josep M.; Chen, Ning","U<sub>2</sub>N@<i>I</i> <sub>h</sub>(7)-C<sub>80</sub>: fullerene cage encapsulating an unsymmetrical U(iv)[double bond, length as m-dash]N[double bond, length as m-dash]U(v) cluster.","Chemical science","2020","12","1","282","292","10.1039/d0sc04677a","","","0.77484","synchrotron","","0.0393","0.0379","","","0.0979","0.0993","","","","","","1.035","","","","has coordinates,has disorder","267047","2021-07-05","16:44:06",""
"1559999","11.9921","0.0003","12.28439","0.00018","21.733","0.0005","94.518","0.0016","91.0356","0.0018","101.524","0.0016","3125.45","0.12","100","","100","","","","","","","","","9","P -1","-P 1","2","","bis(triphenylphosphine)-tris(phenylthiolate)-bispalladium-ruthenium-hexafluoroantimoniate-dichloromethane","","- C64.5 H59.5 Cl1.5 F6 P2 Pd2 Ru S3 Sb -","- C64.5 H59.5 Cl1.5 F6 P2 Pd2 Ru S3 Sb -","- C129 H119 Cl3 F12 P4 Pd4 Ru2 S6 Sb2 -","2","1","","Kulichenko, Maksim; Fedik, Nikita; Monfredini, Anna; Muñoz-Castro, Alvaro; Balestri, Davide; Boldyrev, Alexander I.; Maestri, Giovanni","""Bottled"" spiro-doubly aromatic trinuclear [Pd<sub>2</sub>Ru]<sup>+</sup> complexes.","Chemical science","2020","12","1","477","486","10.1039/d0sc04469e","","x-ray","0.7","synchrotron","","0.0541","0.054","","","0.1658","0.1659","","","","","","1.011","","","","has coordinates,has disorder","267049","2021-07-05","16:44:18",""
"1560000","10.215","0.004","30.038","0.009","10.723","0.004","90","","116.107","0.012","90","","2954.5","1.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Li N2 O P3 -","- C28 H46 Li N2 O P3 -","- C112 H184 Li4 N8 O4 P12 -","4","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0759","0.068","","","0.1758","0.1835","","","","","","1.024","","","","has coordinates,has disorder","267045","2021-07-05","16:43:29",""
"1560001","11.6149","0.0006","16.6838","0.0008","20.0416","0.0009","90","","90.81","0.002","90","","3883.3","0.3","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58.28 H98.56 Br2 Cl6.56 Cu2 N6 P6 Ti2 -","- C58.28 H98.56 Br2 Cl6.56 Cu2 N6 P6 Ti2 -","- C116.56 H197.12 Br4 Cl13.12 Cu4 N12 P12 Ti4 -","2","0.5","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0672","0.0428","","","0.0939","0.1094","","","","","","1.062","","","","has coordinates,has disorder","267045","2021-07-05","16:43:29",""
"1560002","10.1219","0.0016","16.662","0.003","22.432","0.004","90","","99.27","0.003","90","","3733.8","1.1","115","","115","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 Cl2 N2 O P3 Ti -","- C40 H38 Cl2 N2 O P3 Ti -","- C160 H152 Cl8 N8 O4 P12 Ti4 -","4","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0419","0.0316","","","0.0721","0.0784","","","","","","1.036","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560003","12.209","0.003","12.264","0.003","15.876","0.004","97.041","0.006","99.249","0.006","98.343","0.006","2295.3","1","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H44 Cl N4 P3 Ti -","- C45 H44 Cl N4 P3 Ti -","- C90 H88 Cl2 N8 P6 Ti2 -","2","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.1959","0.0708","","","0.1543","0.2049","","","","","","0.92","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560004","16.455","0.0009","16.291","0.0008","22.0025","0.0012","90","","90","","90","","5898.2","0.5","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H38 Cl3 N2 P3 Zr -","- C24 H38 Cl3 N2 P3 Zr -","- C192 H304 Cl24 N16 P24 Zr8 -","8","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0307","0.022","","","0.0503","0.054","","","","","","1.05","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560005","14.2921","0.0008","13.7871","0.0007","18.9179","0.001","90","","90","","90","","3727.7","0.3","100","","100","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C29 H49 Au Cl4 N3 P3 Ti -","- C29 H49 Au Cl4 N3 P3 Ti -","- C116 H196 Au4 Cl16 N12 P12 Ti4 -","4","0.5","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0293","0.0249","","","0.0497","0.0528","","","","","","1.235","","","","has coordinates,has disorder","267045","2021-07-05","16:43:29",""
"1560006","11.8938","0.0012","12.0699","0.0011","27.548","0.003","82.319","0.004","80.357","0.005","70.217","0.004","3656.1","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C147 H126 Cl18 N8 P12 Zr4 -","- C147 H126 Cl18 N8 P12 Zr4 -","- C147 H126 Cl18 N8 P12 Zr4 -","1","0.5","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0335","0.0277","","","0.0653","0.0681","","","","","","1.037","","","","has coordinates,has disorder","267045","2021-07-05","16:43:29",""
"1560007","11.7665","0.0019","13.781","0.002","20.643","0.003","82.299","0.004","86.711","0.004","80.965","0.004","3273.7","0.9","115","","115","","","","","","","","","8","P -1","-P 1","2","","","","- C77 H70 B Cl2 N2 O2 P3 Ti -","- C77 H70 B Cl2 N2 O2 P3 Ti -","- C154 H140 B2 Cl4 N4 O4 P6 Ti2 -","2","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.1179","0.0594","","","0.14","0.1675","","","","","","1.024","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560008","31.2123","0.0012","11.3573","0.0004","16.6578","0.0007","90","","111.69","0.001","90","","5486.9","0.4","99.99","","99.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H76 Cu2 N4 P6 -","- C48 H76 Cu2 N4 P6 -","- C192 H304 Cu8 N16 P24 -","4","0.5","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0448","0.0302","","","0.0654","0.0711","","","","","","1.021","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560009","19.7139","0.0008","17.7743","0.0009","20.2496","0.0009","90","","112.411","0.001","90","","6559.6","0.5","115","","115","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H47 Cl N3 P3 Ti -","- C28 H47 Cl N3 P3 Ti -","- C224 H376 Cl8 N24 P24 Ti8 -","8","2","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0437","0.03","","","0.0675","0.0759","","","","","","1.059","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560010","11.1686","0.0013","15.39","0.002","16.608","0.002","90","","99.796","0.006","90","","2813","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 Cl2 N2 P3 Ti -","- C24 H38 Cl2 N2 P3 Ti -","- C96 H152 Cl8 N8 P12 Ti4 -","4","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0395","0.0295","","","0.0624","0.0685","","","","","","1.086","","","","has coordinates,has disorder","267045","2021-07-05","16:43:29",""
"1560011","12.209","0.003","12.264","0.003","15.876","0.004","97.041","0.006","99.249","0.006","98.343","0.006","2295.3","1","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H44 Cl N4 P3 Ti -","- C45 H44 Cl N4 P3 Ti -","- C90 H88 Cl2 N8 P6 Ti2 -","2","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","","0.71073","MoKα","","0.1959","0.0693","","","0.1415","0.1892","","","","","","0.92","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560012","12.4622","0.0007","22.1019","0.0012","15.1862","0.0005","90","","94.567","0.001","90","","4169.6","0.4","115","","115","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H47 Cl N3 P3 Ti -","- C47 H47 Cl N3 P3 Ti -","- C188 H188 Cl4 N12 P12 Ti4 -","4","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0651","0.0458","","","0.1056","0.1157","","","","","","1.028","","","","has coordinates,has disorder","267045","2021-07-05","16:43:29",""
"1560133","10.077","0.004","5.678","0.003","13.478","0.006","90","","96.922","0.017","90","","765.6","0.6","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 Br N -","- C19 H16 Br N -","- C38 H32 Br2 N2 -","2","1","","Jiang, Feng; Fu, Chunling; Ma, Shengming","Asymmetric construction of pyrido[1,2-<i>a</i>]-1<i>H</i>-indole derivatives <i>via</i> a gold-catalyzed cycloisomerization.","Chemical science","2020","12","2","696","701","10.1039/d0sc05619g","","","0.71073","MoKα","","0.0358","0.0299","","","0.0724","0.0749","","","","","","1.042","","","","has coordinates","267079","2021-07-05","16:52:27",""
"1560134","10.4093","0.0008","6.0139","0.0004","12.2223","0.001","90","","100.849","0.003","90","","751.45","0.1","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 Cl N O -","- C17 H20 Cl N O -","- C34 H40 Cl2 N2 O2 -","2","1","","Jiang, Feng; Fu, Chunling; Ma, Shengming","Asymmetric construction of pyrido[1,2-<i>a</i>]-1<i>H</i>-indole derivatives <i>via</i> a gold-catalyzed cycloisomerization.","Chemical science","2020","12","2","696","701","10.1039/d0sc05619g","","","0.71073","MoKα","","0.0272","0.0261","","","0.0635","0.0644","","","","","","1.053","","","","has coordinates","267079","2021-07-05","16:52:27",""
"1560136","11.2876","0.0006","21.068","0.0011","9.751","0.0005","90","","106.139","0.003","90","","2227.5","0.2","223","2","223.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N3 O5 -","- C25 H23 N3 O5 -","- C100 H92 N12 O20 -","4","1","","Park, Hyunchang; Lee, Dongwhan","Biomimetic hydrogen-bonding cascade for chemical activation: telling a nucleophile from a base.","Chemical science","2020","12","2","590","598","10.1039/d0sc05067a","","","1.54178","CuKα","","0.0813","0.0508","","","0.099","0.1146","","","","","","1.026","","","","has coordinates","267078","2021-07-05","16:52:21",""
"1560137","25.8801","0.0005","6.9453","0.0001","23.8077","0.0004","90","","116.121","0.002","90","","3842.25","0.13","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Br Cl3 N2 O4 -","- C17 H14 Br Cl3 N2 O4 -","- C136 H112 Br8 Cl24 N16 O32 -","8","2","","Park, Hyunchang; Lee, Dongwhan","Biomimetic hydrogen-bonding cascade for chemical activation: telling a nucleophile from a base.","Chemical science","2020","12","2","590","598","10.1039/d0sc05067a","","x-ray","1.54184","CuKα","","0.0755","0.074","","","0.2007","0.2013","","","","","","1.11","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1560138","17.4514","0.0004","4.6477","0.0001","35.608","0.0008","90","","102.334","0.002","90","","2821.46","0.11","93","","93","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C128 H112 N16 O32 -","8","1","","Park, Hyunchang; Lee, Dongwhan","Biomimetic hydrogen-bonding cascade for chemical activation: telling a nucleophile from a base.","Chemical science","2020","12","2","590","598","10.1039/d0sc05067a","","x-ray","1.54184","CuKα","","0.0922","0.083","","","0.2263","0.2396","","","","","","1.078","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1560147","8.5666","0.0007","14.3257","0.0007","9.2306","0.0008","90","","112.196","0.01","90","","1048.86","0.15","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","tetraethyl naphthalene-1,4,5,8-tetracarboxylate","","- C22 H24 O8 -","- C22 H24 O8 -","- C44 H48 O16 -","2","0.5","","Zhou, Jiawang; Stojanović, Ljiljana; Berezin, Andrey A.; Battisti, Tommaso; Gill, Abigail; Kariuki, Benson M.; Bonifazi, Davide; Crespo-Otero, Rachel; Wasielewski, Michael R.; Wu, Yi-Lin","Organic room-temperature phosphorescence from halogen-bonded organic frameworks: hidden electronic effects in rigidified chromophores.","Chemical science","2020","12","2","767","773","10.1039/d0sc04646a","","x-ray","0.71073","MoKα","","0.1009","0.0779","","","0.2365","0.2609","","","","","","1.061","","","","has coordinates","267080","2021-07-05","16:52:54",""
"1560148","9.5351","0.0005","12.0414","0.0006","12.8133","0.0008","72.585","0.005","69.31","0.005","89.363","0.004","1305.8","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","tetraethyl 2,3,6,7-tetrabromonaphthalene-1,4,5,8-tetracarboxylate","","- C22 H20 Br4 O8 -","- C22 H20 Br4 O8 -","- C44 H40 Br8 O16 -","2","1","","Zhou, Jiawang; Stojanović, Ljiljana; Berezin, Andrey A.; Battisti, Tommaso; Gill, Abigail; Kariuki, Benson M.; Bonifazi, Davide; Crespo-Otero, Rachel; Wasielewski, Michael R.; Wu, Yi-Lin","Organic room-temperature phosphorescence from halogen-bonded organic frameworks: hidden electronic effects in rigidified chromophores.","Chemical science","2020","12","2","767","773","10.1039/d0sc04646a","","x-ray","0.71073","MoKα","","0.0773","0.0426","","","0.0802","0.0937","","","","","","1.02","","","","has coordinates","267080","2021-07-05","16:52:57",""
"1560149","9.6364","0.0005","9.8092","0.0005","11.8602","0.0005","90","","90.442","0.004","90","","1121.06","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","tetraethyl 2-bromonaphthalene-1,4,5,8-tetracarboxylate","","- C22 H23 Br O8 -","- C22 H23 Br O8 -","- C44 H46 Br2 O16 -","2","1","","Zhou, Jiawang; Stojanović, Ljiljana; Berezin, Andrey A.; Battisti, Tommaso; Gill, Abigail; Kariuki, Benson M.; Bonifazi, Davide; Crespo-Otero, Rachel; Wasielewski, Michael R.; Wu, Yi-Lin","Organic room-temperature phosphorescence from halogen-bonded organic frameworks: hidden electronic effects in rigidified chromophores.","Chemical science","2020","12","2","767","773","10.1039/d0sc04646a","","x-ray","0.71073","MoKα","","0.0863","0.0677","","","0.1502","0.161","","","","","","1.046","","","","has coordinates,has disorder","267080","2021-07-05","16:53:06",""
"1560150","12.0771","0.0006","13.4199","0.0006","18.1881","0.0009","75.562","0.002","80.992","0.002","87.013","0.002","2819.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H80 Cl N6 O6 -","- C65 H80 Cl N6 O6 -","- C130 H160 Cl2 N12 O12 -","2","1","","Martinez-Cuezva, Alberto; Pastor, Aurelia; Marin-Luna, Marta; Diaz-Marin, Carmen; Bautista, Delia; Alajarin, Mateo; Berna, Jose","Cyclization of interlocked fumaramides into β-lactams: experimental and computational mechanistic assessment of the key intercomponent proton transfer and the stereocontrolling active pocket.","Chemical science","2020","12","2","747","756","10.1039/d0sc05757f","","","1.54178","CuKα","","0.0575","0.0532","","","0.1369","0.1408","","","","","","1.032","","","","has coordinates,has disorder","267070","2021-07-05","16:50:55",""
"1560178","12.1094","0.0005","11.0077","0.0004","9.4271","0.0003","90","","103.617","0.004","90","","1221.28","0.08","150","2","150.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Si2 -","- C26 H42 Si2 -","- C52 H84 Si4 -","2","0.5","","He, Tao; Wang, Guoqiang; Long, Peng-Wei; Kemper, Sebastian; Irran, Elisabeth; Klare, Hendrik F. T.; Oestreich, Martin","Intramolecular Friedel-Crafts alkylation with a silylium-ion-activated cyclopropyl group: formation of tricyclic ring systems from benzyl-substituted vinylcyclopropanes and hydrosilanes.","Chemical science","2020","12","2","569","575","10.1039/d0sc05553k","","x-ray","1.54184","CuKα","","0.0493","0.043","","","0.1145","0.1202","","","","","","1.053","","","","has coordinates,has disorder","267072","2021-07-05","16:51:23",""
"1560179","10.6538","0.0002","21.0744","0.0004","27.7419","0.0006","90","","90.186","0.0015","90","","6228.6","0.2","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H26 Al F20 N6 -","- C62 H26 Al F20 N6 -","- C248 H104 Al4 F80 N24 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Bohanon, Amanda M.; Sayler, Richard I.; Britt, R. David; Smith, Allison M.; Fettinger, James C.; Berben, Louise A.","Delocalization tunable by ligand substitution in [L<sub>2</sub>Al] <sup><i>n</i>-</sup> complexes highlights a mechanism for strong electronic coupling.","Chemical science","2020","12","2","675","682","10.1039/d0sc02812f","","","1.54178","CuKα","","0.1137","0.0618","","","0.1447","0.1686","","","","","","0.99","","","","has coordinates","267077","2021-07-05","16:52:12",""
"1560180","13.3802","0.0009","15.1258","0.0009","17.4402","0.0015","90","","110.95","0.001","90","","3296.3","0.4","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H21 Al Cl2 F10 N3 O -","- C35 H21 Al Cl2 F10 N3 O -","- C140 H84 Al4 Cl8 F40 N12 O4 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Bohanon, Amanda M.; Sayler, Richard I.; Britt, R. David; Smith, Allison M.; Fettinger, James C.; Berben, Louise A.","Delocalization tunable by ligand substitution in [L<sub>2</sub>Al] <sup><i>n</i>-</sup> complexes highlights a mechanism for strong electronic coupling.","Chemical science","2020","12","2","675","682","10.1039/d0sc02812f","","","0.71073","MoKα","","0.0422","0.0319","","","0.0728","0.0775","","","","","","1.019","","","","has coordinates","267077","2021-07-05","16:52:13",""
"1560181","9.8433","0.0003","10.2481","0.0003","20.401","0.0006","90","","103.193","0.0014","90","","2003.63","0.1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H39 Al Cl F10 N3 O2.5 -","- C44 H39 Al Cl F10 N3 O2.5 -","- C88 H78 Al2 Cl2 F20 N6 O5 -","2","1","","Arnold, Amela; Sherbow, Tobias J.; Bohanon, Amanda M.; Sayler, Richard I.; Britt, R. David; Smith, Allison M.; Fettinger, James C.; Berben, Louise A.","Delocalization tunable by ligand substitution in [L<sub>2</sub>Al] <sup><i>n</i>-</sup> complexes highlights a mechanism for strong electronic coupling.","Chemical science","2020","12","2","675","682","10.1039/d0sc02812f","","","1.54178","CuKα","","0.0403","0.0361","","","0.0894","0.0925","","","","","","1.052","","","","has coordinates,has disorder","267077","2021-07-05","16:52:13",""
"1560182","24.1574","0.0004","16.2905","0.0003","19.344","0.0003","90","","110.105","0.001","90","","7148.7","0.2","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C88 H84 Al N10 -","- C88 H84 Al N10 -","- C352 H336 Al4 N40 -","4","0.5","","Arnold, Amela; Sherbow, Tobias J.; Bohanon, Amanda M.; Sayler, Richard I.; Britt, R. David; Smith, Allison M.; Fettinger, James C.; Berben, Louise A.","Delocalization tunable by ligand substitution in [L<sub>2</sub>Al] <sup><i>n</i>-</sup> complexes highlights a mechanism for strong electronic coupling.","Chemical science","2020","12","2","675","682","10.1039/d0sc02812f","","","1.54178","CuKα","","0.0651","0.0526","","","0.1364","0.1456","","","","","","0.995","","","","has coordinates","267077","2021-07-05","16:52:13",""
"1560183","14.7754","0.0011","14.9336","0.0011","14.0276","0.0008","90","","90","","90","","3095.2","0.4","90","2","90","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C26 H28 Co Ho N10 O8 -","- C26 H28 Co Ho N10 O8 -","- C104 H112 Co4 Ho4 N40 O32 -","4","0.25","","Wang, Junhao; Zakrzewski, Jakub J.; Zychowicz, Mikolaj; Vieru, Veacheslav; Chibotaru, Liviu F.; Nakabayashi, Koji; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Holmium(iii) molecular nanomagnets for optical thermometry exploring the luminescence re-absorption effect.","Chemical science","2020","12","2","730","741","10.1039/d0sc04871b","","x-ray","0.71075","MoKα","","0.0295","0.0288","","","0.0578","0.058","","","","","","1.217","","","","has coordinates,has disorder","267076","2021-07-05","16:52:01",""
"1560184","14.872","0.0003","15.2339","0.0003","14.1487","0.0003","90","","90","","90","","3205.51","0.11","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C26 H28 Ho Ir N10 O8 -","- C26 H28 Ho Ir N10 O8 -","- C104 H112 Ho4 Ir4 N40 O32 -","4","0.25","","Wang, Junhao; Zakrzewski, Jakub J.; Zychowicz, Mikolaj; Vieru, Veacheslav; Chibotaru, Liviu F.; Nakabayashi, Koji; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Holmium(iii) molecular nanomagnets for optical thermometry exploring the luminescence re-absorption effect.","Chemical science","2020","12","2","730","741","10.1039/d0sc04871b","","x-ray","0.71073","MoKα","","0.0225","0.0187","","","0.0448","0.0462","","","","","","1.094","","","","has coordinates,has disorder","267076","2021-07-05","16:52:01",""
"1560185","14.8236","0.0006","15.1198","0.0008","14.066","0.0007","90","","90","","90","","3152.6","0.3","90","2","90","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C26 H28 Ho N10 O8 Rh -","- C26 H28 Ho N10 O8 Rh -","- C104 H112 Ho4 N40 O32 Rh4 -","4","0.25","","Wang, Junhao; Zakrzewski, Jakub J.; Zychowicz, Mikolaj; Vieru, Veacheslav; Chibotaru, Liviu F.; Nakabayashi, Koji; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Holmium(iii) molecular nanomagnets for optical thermometry exploring the luminescence re-absorption effect.","Chemical science","2020","12","2","730","741","10.1039/d0sc04871b","","x-ray","0.71075","MoKα","","0.0682","0.0574","","","0.0935","0.0969","","","","","","1.175","","","","has coordinates,has disorder","267076","2021-07-05","16:52:01",""
"1560189","6.0794","0.0006","23.851","0.002","6.5545","0.0006","90","","114.294","0.003","90","","866.24","0.14","119.98","","119.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","1","","Ma, Liang; Kou, Luyao; Jin, Feng; Cheng, Xionglve; Tao, Suyan; Jiang, Gangzhong; Bao, Xiaoguang; Wan, Xiaobing","Acyclic nitronate olefin cycloaddition (ANOC): regio- and stereospecific synthesis of isoxazolines.","Chemical science","2020","12","2","774","779","10.1039/d0sc05607c","","","0.71073","MoKα","","0.0515","0.0473","","","0.1141","0.1184","","","","","","1.062","","","","has coordinates","267081","2021-07-05","16:53:14",""
"1560190","10.2859","0.0006","10.6455","0.0006","7.6374","0.0005","90","","90","","90","","836.28","0.09","120.03","","120.03","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","1","","Ma, Liang; Kou, Luyao; Jin, Feng; Cheng, Xionglve; Tao, Suyan; Jiang, Gangzhong; Bao, Xiaoguang; Wan, Xiaobing","Acyclic nitronate olefin cycloaddition (ANOC): regio- and stereospecific synthesis of isoxazolines.","Chemical science","2020","12","2","774","779","10.1039/d0sc05607c","","","0.71073","MoKα","","0.0614","0.0414","","","0.0856","0.0977","","","","","","1.046","","","","has coordinates","267081","2021-07-05","16:53:14",""
"1560191","12.4596","0.0007","7.5335","0.0005","10.8814","0.0007","90","","92.749","0.002","90","","1020.2","0.11","119.99","","119.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Ma, Liang; Kou, Luyao; Jin, Feng; Cheng, Xionglve; Tao, Suyan; Jiang, Gangzhong; Bao, Xiaoguang; Wan, Xiaobing","Acyclic nitronate olefin cycloaddition (ANOC): regio- and stereospecific synthesis of isoxazolines.","Chemical science","2020","12","2","774","779","10.1039/d0sc05607c","","","0.71073","MoKα","","0.0563","0.0409","","","0.1117","0.1264","","","","","","1.048","","","","has coordinates","267081","2021-07-05","16:53:14",""
"1560192","9.4978","0.0007","19.9607","0.0013","11.2962","0.0008","90","","91.786","0.002","90","","2140.5","0.3","120.04","","120.04","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C96 H88 N8 O24 -","8","2","","Ma, Liang; Kou, Luyao; Jin, Feng; Cheng, Xionglve; Tao, Suyan; Jiang, Gangzhong; Bao, Xiaoguang; Wan, Xiaobing","Acyclic nitronate olefin cycloaddition (ANOC): regio- and stereospecific synthesis of isoxazolines.","Chemical science","2020","12","2","774","779","10.1039/d0sc05607c","","","0.71073","MoKα","","0.0835","0.0523","","","0.134","0.1609","","","","","","1.036","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1560196","5.0788","0.0004","5.0788","0.0004","14.086","0.002","90","","90","","120","","314.66","0.06","293","","","","","","","","","","Noerdlinger Ries","4","R -3 :H","-R 3","148","","Irontitanate","wangdaodeite","- Fe5.52 Mn0.48 O18 Ti6 -","- Fe5.52 Mn0.48 O18 Ti3 -","- Fe5.52 Mn0.48 O18 Ti3 -","1","0.0555556","","Oliver Tschauner; Chi Ma; Matthew G. Newville; Antonio Lanzirotti","Structure Analysis of Natural Wangdaodeite-LiNbO3-Type FeTiO3","Minerals","2020","10","","1072","","10.3390/min10121072","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","261196","2021-01-25","10:40:23",""
"1560435","16.88","0.003","16.88","0.003","16.88","0.003","90","0.03","90","0.03","90","0.03","4809.7","1.5","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C96 H120 N48 Zn12 -","- C96 H120 N48 Zn12 -","- C96 H120 N48 Zn12 -","1","0.0208333","","Banihashemi, Fateme; Bu, Guanhong; Thaker, Amar; Williams, Dewight; Lin, Jerry Y S; Nannenga, Brent L","Beam-sensitive metal-organic framework structure determination by microcrystal electron diffraction.","Ultramicroscopy","2020","216","","113048","","10.1016/j.ultramic.2020.113048","","","1","","","0.1779","0.1348","","","0.3253","0.3411","","","","","","1.011","","","","has coordinates","262010","2021-02-16","19:59:29",""
"1561971","5.5998","0.001","7.725","0.001","5.4368","0.001","90","","90","","90","","235.19","0.07","13","","13","","","","","","","","","4","P n m a","-P 2ac 2n","62","NdMn0.1Fe0.9O3","","","- Fe3.6 Mn0.4 Nd4 O12 -","- Fe3.6 Mn0.4 Nd4 O12 -","- Fe3.6 Mn0.4 Nd4 O12 -","1","0.125","","Matus Mihalik et al.","Magnetism in NdMn0.1Fe0.9O3 compound","Journal of Magnetism and Magnetic Materials","2020","502","","166539","","10.1016/j.jmmm.2020.166539","","","1.789","CoKα~1~","","","","","","","","","0.0287","1.1261","","","","","","","has coordinates","264373","2021-04-21","10:31:16",""
"1561972","5.597","0.001","7.7426","0.001","5.4457","0.001","90","","90","","90","","235.99","0.07","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","NdMn0.1Fe0.9O3","","","- Fe3.6 Mn0.4 Nd4 O12 -","- Fe3.6 Mn0.4 Nd4 O12 -","- Fe3.6 Mn0.4 Nd4 O12 -","1","0.125","","Matus Mihalik et al.","Magnetism in NdMn0.1Fe0.9O3 compound","Journal of Magnetism and Magnetic Materials","2020","502","","166539","","10.1016/j.jmmm.2020.166539","","","1.789","CoKα~1~","","","","","","","","","0.0285","1.0124","","","","","","","has coordinates","264374","2021-04-21","10:31:26",""
"1561973","5.5992","0.001","7.7265","0.001","5.4372","0.001","90","","90","","90","","235.23","0.07","76","","76","","","","","","","","","4","P n m a","-P 2ac 2n","62","NdMn0.1Fe0.9O3","","","- Fe3.6 Mn0.4 Nd4 O12 -","- Fe3.6 Mn0.4 Nd4 O12 -","- Fe3.6 Mn0.4 Nd4 O12 -","1","0.125","","Matus Mihalik et al.","Magnetism in NdMn0.1Fe0.9O3 compound","Journal of Magnetism and Magnetic Materials","2020","502","","166539","","10.1016/j.jmmm.2020.166539","","","1.789","CoKα~1~","","","","","","","","","0.0282","1.0945","","","","","","","has coordinates","264375","2021-04-21","10:31:34",""
"1562559","3.002","","5.018","","4.684","","90","","90","","90","","70.56","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Mo2.5 Nb5 Ti92.5 -","- Mo0.025 Nb0.05 Ti0.925 -","- Mo0.1 Nb0.2 Ti3.7 -","4","0.25","","Myslyvchenko, Oleksandr; Bondar, Anatolii; Petyukh, Vasylii; Tikhonova, Irina; Tsyganenko, Natalia","Structure of orthorhombic martensite in the Ti92.5Nb5Mo2.5 alloy, its deformation and thermal stability","Materials Letters","2020","277","","128267","128270","10.1016/j.matlet.2020.128267","","","","","","","","","","","","","","","","","","","","","has coordinates","265254","2021-05-16","18:35:21",""
"1563998","12.8659","0.0006","13.4894","0.0007","14.2629","0.0007","98.869","0.002","106.802","0.002","115.474","0.002","2025.19","0.18","300","","300","","","","","","","","","7","P -1","-P 1","2","","Chlorido[1,2-dimethyl-3-oxo-κO-pyridine-4(1H) -selonato-κSe](η6-p-cymene)-ruthenium(II)","","- C34 H56 Cl2 N2 O8 Ru2 Se2 -","- C34 H56 Cl2 N2 O8 Ru2 Se2 -","- C68 H112 Cl4 N4 O16 Ru4 Se4 -","2","1","","Harringer, Sophia; Matzinger, Manuel; Gajic, Natalie; Hejl, Michaela; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","First insights into the novel class of organometallic compounds bearing a bidentate selenopyridone coordination motif: Synthesis, characterization, stability and biological investigations","Inorganica Chimica Acta","2020","513","","119919","","10.1016/j.ica.2020.119919","","x-ray","0.71073","MoKα","","0.036","0.0293","","","0.0676","0.0708","","","","","","1.036","","","","has coordinates","267324","2021-07-07","08:43:59",""
"1563999","7.1172","0.0004","8.2231","0.0005","11.2069","0.0006","109.332","0.002","95.12","0.003","107.446","0.002","577.35","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","1-Benzyl-3-hydroxy-2-methylpyridine-4(1H)-selenone","","- C13 H13 N O Se -","- C13 H13 N O Se -","- C26 H26 N2 O2 Se2 -","2","1","","Harringer, Sophia; Matzinger, Manuel; Gajic, Natalie; Hejl, Michaela; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","First insights into the novel class of organometallic compounds bearing a bidentate selenopyridone coordination motif: Synthesis, characterization, stability and biological investigations","Inorganica Chimica Acta","2020","513","","119919","","10.1016/j.ica.2020.119919","","x-ray","0.71073","MoKα","","0.0266","0.0247","","","0.062","0.0632","","","","","","1.078","","","","has coordinates","267325","2021-07-07","08:45:49",""
"1564000","11.0446","0.0002","13.7729","0.0003","14.6711","0.0003","65.8221","0.0007","83.8468","0.0008","73.2802","0.0008","1949.72","0.07","100","","100","","","","","","","","","7","P -1","-P 1","2","","Chlorido[1,2-dimethyl-3-oxo-κO-pyridine-4(1H)- selonato-κSe](η6-p-cymene)-osmium(II)","","- C34 H48 Cl2 N2 O4 Os2 Se2 -","- C34 H48 Cl2 N2 O4 Os2 Se2 -","- C68 H96 Cl4 N4 O8 Os4 Se4 -","2","1","","Harringer, Sophia; Matzinger, Manuel; Gajic, Natalie; Hejl, Michaela; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","First insights into the novel class of organometallic compounds bearing a bidentate selenopyridone coordination motif: Synthesis, characterization, stability and biological investigations","Inorganica Chimica Acta","2020","513","","119919","","10.1016/j.ica.2020.119919","","x-ray","0.71073","MoKα","","0.0294","0.0249","","","0.054","0.0561","","","","","","1.027","","","","has coordinates,has disorder","267327","2021-07-07","08:50:11",""
"1564001","14.4035","0.0002","17.2052","0.0003","16.2493","0.0003","90","","90","","90","","4026.82","0.12","100","","100","","","","","","","","","7","P n n a","-P 2a 2bc","52","","Chlorido[1,2-dimethyl-3-oxo-κO-pyridine-4(1H)-selonato- κSe](η5-1,2,3,4,5-pentamethylcyclopentadienyl)iridium(III)","","- C34 H46 Cl2 Ir2 N2 O2 Se2 -","- C34 H46 Cl2 Ir2 N2 O2 Se2 -","- C136 H184 Cl8 Ir8 N8 O8 Se8 -","4","0.5","","Harringer, Sophia; Matzinger, Manuel; Gajic, Natalie; Hejl, Michaela; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","First insights into the novel class of organometallic compounds bearing a bidentate selenopyridone coordination motif: Synthesis, characterization, stability and biological investigations","Inorganica Chimica Acta","2020","513","","119919","","10.1016/j.ica.2020.119919","","x-ray","0.71073","MoKα","","0.0771","0.0639","","","0.1268","0.1314","","","","","","1.219","","","","has coordinates,has disorder","267329","2021-07-07","08:52:51",""
"1564002","14.9231","0.0004","16.3404","0.0004","23.6648","0.0008","90","","101.619","0.0014","90","","5652.4","0.3","90","","90","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","Chlorido[1,2-dimethyl-3-oxo-κO-pyridine-4(1H)-selonato- κSe](η5-1,2,3,4,5-pentamethylcyclopentadienyl)iridium(III)","","- C47 H56 Cl4 Ir2 N2 O2 Se2 -","- C47 H56 Cl4 Ir2 N2 O2 Se2 -","- C188 H224 Cl16 Ir8 N8 O8 Se8 -","4","1","","Harringer, Sophia; Matzinger, Manuel; Gajic, Natalie; Hejl, Michaela; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","First insights into the novel class of organometallic compounds bearing a bidentate selenopyridone coordination motif: Synthesis, characterization, stability and biological investigations","Inorganica Chimica Acta","2020","513","","119919","","10.1016/j.ica.2020.119919","","x-ray","0.71073","MoKα","","0.0359","0.0282","","","0.0543","0.0569","","","","","","1.038","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1564003","9.3878","0.0001","32.3378","0.0003","10.3973","0.0001","90","","100.801","0.001","90","","3100.5","0.05","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H66 Cl N13 Nd2 O30 -","- C50 H64 Cl N13 Nd2 O30 -","- C100 H128 Cl2 N26 Nd4 O60 -","2","1","","Dong, Ying-Ling; Sun, Hong-Zhi; Teng, Bao-Shan; Ma, Yuan-Jun; Wang, Xing; Wu, Ben-Lai","Homochiral lanthanide metal‒organic frameworks based on amino acid-functionalized terpyridyl ligand: synthesis, structure determination, and optical properties","Inorganica Chimica Acta","2020","513","","119931","","10.1016/j.ica.2020.119931","","","1.54184","CuKα","","0.0492","0.0457","","","0.1223","0.1256","","","","","","1.063","","","","has coordinates","267333","2021-07-07","09:00:10",""
"1564004","9.3878","0.0001","32.3383","0.0003","10.3975","0.0001","90","","100.802","0.001","90","","3100.6","0.05","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H66 Cl N13 O30 Pr2 -","- C50 H56 Cl N13 O30 Pr2 -","- C100 H112 Cl2 N26 O60 Pr4 -","2","1","","Dong, Ying-Ling; Sun, Hong-Zhi; Teng, Bao-Shan; Ma, Yuan-Jun; Wang, Xing; Wu, Ben-Lai","Homochiral lanthanide metal‒organic frameworks based on amino acid-functionalized terpyridyl ligand: synthesis, structure determination, and optical properties","Inorganica Chimica Acta","2020","513","","119931","","10.1016/j.ica.2020.119931","","","1.54184","CuKα","","0.0864","0.0728","","","0.2558","0.2651","","","","","","1.161","","","","has coordinates","267333","2021-07-07","09:00:16",""
"1564005","14.4154","0.0007","10.4109","0.0004","21.8501","0.0011","90","","90","","90","","3279.2","0.3","140","2","140","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H24 Bi2 Br2 Cl9 N3 -","- C18 H24 Bi2 Br2 Cl9 N3 -","- C72 H96 Bi8 Br8 Cl36 N12 -","4","1","","Usoltsev, Andrey N.; Korobeynikov, Nikita A.; Novikov, Alexander S.; Plyusnin, Pavel E.; Fedin, Vladimir P.; Sokolov, Maxim N.; Adonin, Sergey A.","Hybrid chlorobismuthate(III) “trapping” Br2 unit: Crystal structure and theoretical investigation of non-covalent Cl⋯Br interactions in (1-MePy)3{[Bi2Cl9](Br2)}","Inorganica Chimica Acta","2020","513","","119932","","10.1016/j.ica.2020.119932","","","0.71073","MoKα","","0.0466","0.0387","","","0.0834","0.0893","","","","","","1.031","","","","has coordinates","267334","2021-07-07","09:05:16",""
"1564006","10.913","0.0005","13.304","0.0006","14.672","0.0008","66.246","0.005","69.905","0.004","66.909","0.004","1749.39","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H36 N6 Ni1.5 O10 -","- C31 H33 N6 Ni1.5 O10 -","- C62 H66 N12 Ni3 O20 -","2","1","","He, Yuan-Chun; Wang, Yan; Zhao, Fang-Hua; Wang, Yu-Chen; Wang, Ke-Xin; Yang, Hong-Kun; Xu, Na","Syntheses, structures and properties of two Ni(II) coordination polymers based on an anionic ligand deprotonated 5-((3-carboxyphenoxy)methyl)benzene-1,3-dioic acid and different neutral ligands","Inorganica Chimica Acta","2020","513","","119930","","10.1016/j.ica.2020.119930","","","0.71069","MoKα","","0.079","0.0594","","","0.1691","0.1866","","","","","","1.067","","","","has coordinates","267335","2021-07-07","09:08:54",""
"1564007","10.174","0.0008","11.889","0.0009","17.943","0.0014","95.068","0.006","96.164","0.007","104.075","0.007","2078.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H42 N6 Ni1.5 O13 -","- C37 H36 N6 Ni1.5 O13 -","- C74 H72 N12 Ni3 O26 -","2","1","","He, Yuan-Chun; Wang, Yan; Zhao, Fang-Hua; Wang, Yu-Chen; Wang, Ke-Xin; Yang, Hong-Kun; Xu, Na","Syntheses, structures and properties of two Ni(II) coordination polymers based on an anionic ligand deprotonated 5-((3-carboxyphenoxy)methyl)benzene-1,3-dioic acid and different neutral ligands","Inorganica Chimica Acta","2020","513","","119930","","10.1016/j.ica.2020.119930","","","0.71069","MoKα","","0.2017","0.0886","","","0.1158","0.1553","","","","","","0.944","","","","has coordinates","267335","2021-07-07","09:08:55",""
"1564008","14.82","0.0008","32.601","0.003","19.2529","0.0012","90","","90","","90","","9302","1.1","150","0.1","150","0.1","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C36 H27 N12 O12 Zn2 -","- C36 H27 N12 O12 Zn2 -","- C288 H216 N96 O96 Zn16 -","8","1","","Li, Ling; Deng, Zhao-Yang; Xie, Xin; Zou, Ji-Yong; You, Sheng-Yong; Chen, Kai-Hong; Le, Jin-Feng","A luminescent zinc(II) coordination polymer as a highly selective and sensitive chemosensor for Fe(III) cation and Cr(VI) anions detection in aqueous solution","Inorganica Chimica Acta","2020","513","","119940","","10.1016/j.ica.2020.119940","","x-ray","1.54184","CuKα","","0.1481","0.134","","","0.3285","0.349","","","","","","1.057","","","","has coordinates,has disorder","267336","2021-07-07","09:14:13",""
"1564009","13.1496","0.0004","7.0195","0.0002","11.7924","0.0004","90","","106.259","0.003","90","","1044.95","0.06","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N6 -","- C12 H10 N6 -","- C48 H40 N24 -","4","1","","Li, Ling; Deng, Zhao-Yang; Xie, Xin; Zou, Ji-Yong; You, Sheng-Yong; Chen, Kai-Hong; Le, Jin-Feng","A luminescent zinc(II) coordination polymer as a highly selective and sensitive chemosensor for Fe(III) cation and Cr(VI) anions detection in aqueous solution","Inorganica Chimica Acta","2020","513","","119940","","10.1016/j.ica.2020.119940","","x-ray","1.54184","CuKα","","0.047","0.0425","","","0.1078","0.114","","","","","","1.068","","","","has coordinates","267336","2021-07-07","09:14:13",""
"1564010","21.2337","0.0016","8.9252","0.0007","43.983","0.003","90","","97.475","0.002","90","","8264.6","1.1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H76 Cl4 N8 O20 Zn2 -","- C82 H76 Cl4 N8 O20 Zn2 -","- C328 H304 Cl16 N32 O80 Zn8 -","4","0.5","","Nnabuike, Ginikachukwu Grace; Salunke-Gawali, Sunita; Patil, Archana S.; Butcher, Ray J.; Obaleye, Joshua Ayoola","Synthesis and structures of tetrahedral zinc(II) complexes bearing indomethacin and nitrogen donor ligands","Inorganica Chimica Acta","2020","513","","119941","","10.1016/j.ica.2020.119941","","","0.71073","MoKα","","0.1143","0.0665","","","0.1481","0.1674","","","","","","1.065","","","","has coordinates","267337","2021-07-07","09:19:35",""
"1564011","8.9428","0.0007","11.0258","0.0009","22.7888","0.0019","91.001","0.003","96.617","0.002","107.629","0.002","2124","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H38 Cl2 N4 O8 Zn -","- C48 H38 Cl2 N4 O8 Zn -","- C96 H76 Cl4 N8 O16 Zn2 -","2","1","","Nnabuike, Ginikachukwu Grace; Salunke-Gawali, Sunita; Patil, Archana S.; Butcher, Ray J.; Obaleye, Joshua Ayoola","Synthesis and structures of tetrahedral zinc(II) complexes bearing indomethacin and nitrogen donor ligands","Inorganica Chimica Acta","2020","513","","119941","","10.1016/j.ica.2020.119941","","","0.71073","MoKα","","0.1093","0.0518","","","0.0808","0.0949","","","","","","1.008","","","","has coordinates","267338","2021-07-07","09:21:20",""
"1564012","11.2578","0.0009","19.5617","0.0015","20.9102","0.0017","90","","100.917","0.002","90","","4521.5","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H38 Cl2 N4 O8 Zn -","- C50 H38 Cl2 N4 O8 Zn -","- C200 H152 Cl8 N16 O32 Zn4 -","4","1","","Nnabuike, Ginikachukwu Grace; Salunke-Gawali, Sunita; Patil, Archana S.; Butcher, Ray J.; Obaleye, Joshua Ayoola","Synthesis and structures of tetrahedral zinc(II) complexes bearing indomethacin and nitrogen donor ligands","Inorganica Chimica Acta","2020","513","","119941","","10.1016/j.ica.2020.119941","","","0.71073","MoKα","","0.1014","0.0506","","","0.1086","0.1275","","","","","","1.024","","","","has coordinates,has disorder","267339","2021-07-07","09:24:24",""
"1564013","7.7814","0.0009","7.8017","0.0008","14.9217","0.0016","94.595","0.005","98.726","0.005","92.552","0.005","891.03","0.17","99.95","","99.95","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 Cu N6 O5 -","- C38 H42 Cu N6 O5 -","- C38 H42 Cu N6 O5 -","1","0.5","","Shamle, Nathaniel J.; Tella, Adedibu C.; Obaleye, Joshua A.; Balogun, Fatai O.; Ashafa, Anofi O.T.; Ajibade, Peter A.","Synthesis, characterization, antioxidant and antidiabetic studies of Cu(II) and Zn(II) complexes of tolfenamic acid/mefenamic acid with 1-methylimidazole","Inorganica Chimica Acta","2020","513","","119942","","10.1016/j.ica.2020.119942","","","0.71073","MoKα","","0.037","0.0363","","","0.1089","0.1094","","","","","","1.047","","","","has coordinates,has disorder","267340","2021-07-07","09:29:38",""
"1564014","10.848","0.0008","34.521","0.003","7.8896","0.0006","90","","105.741","0.003","90","","2843.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Cl2 N4 O4 Zn -","- C32 H28 Cl2 N4 O4 Zn -","- C128 H112 Cl8 N16 O16 Zn4 -","4","1","","Shamle, Nathaniel J.; Tella, Adedibu C.; Obaleye, Joshua A.; Balogun, Fatai O.; Ashafa, Anofi O.T.; Ajibade, Peter A.","Synthesis, characterization, antioxidant and antidiabetic studies of Cu(II) and Zn(II) complexes of tolfenamic acid/mefenamic acid with 1-methylimidazole","Inorganica Chimica Acta","2020","513","","119942","","10.1016/j.ica.2020.119942","","","0.71073","MoKα","","0.0337","0.0302","","","0.0704","0.0718","","","","","","1.083","","","","has coordinates","267341","2021-07-07","09:30:38",""
"1564015","17.1782","0.0016","12.2459","0.0011","8.0393","0.0007","90","","99.332","0.004","90","","1668.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl Cu0.5 N3 O2 -","- C18 H17 Cl Cu0.5 N3 O2 -","- C72 H68 Cl4 Cu2 N12 O8 -","4","1","","Shamle, Nathaniel J.; Tella, Adedibu C.; Obaleye, Joshua A.; Balogun, Fatai O.; Ashafa, Anofi O.T.; Ajibade, Peter A.","Synthesis, characterization, antioxidant and antidiabetic studies of Cu(II) and Zn(II) complexes of tolfenamic acid/mefenamic acid with 1-methylimidazole","Inorganica Chimica Acta","2020","513","","119942","","10.1016/j.ica.2020.119942","","","0.71073","MoKα","","0.034","0.0291","","","0.0726","0.0755","","","","","","1.053","","","","has coordinates","267342","2021-07-07","09:32:01",""
"1564016","18.6482","0.0012","13.4928","0.0009","19.1516","0.0012","90","","100.263","0.001","90","","4741.8","0.5","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 Cl N4 O6 Zn -","- C22 H29 Cl N4 O6 Zn -","- C176 H232 Cl8 N32 O48 Zn8 -","8","2","","Rezaeivala, Majid; Ahmadi, Musa; Captain, Burjor; Bayat, Mehdi; Saeidirad, Mahdi; Şahin-Bölükbaşı, Serap; Yıldız, Batuhan; Gable, Robert William","Some new morpholine-based Schiff-base complexes; Synthesis, characterization, anticancer activities and theoretical studies","Inorganica Chimica Acta","2020","513","","119935","","10.1016/j.ica.2020.119935","","","0.71073","MoKα","","0.0685","0.0385","","","0.0942","0.1065","","","","","","1.018","","","","has coordinates,has disorder","267343","2021-07-07","09:43:06",""
"1564017","8.8867","0.0015","11.3521","0.0019","14.071","0.002","83.977","0.003","79.946","0.003","89.994","0.003","1389.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H32 Cl2 N4 Ni O11 -","- C22 H32 Cl2 N4 Ni O11 -","- C44 H64 Cl4 N8 Ni2 O22 -","2","1","","Rezaeivala, Majid; Ahmadi, Musa; Captain, Burjor; Bayat, Mehdi; Saeidirad, Mahdi; Şahin-Bölükbaşı, Serap; Yıldız, Batuhan; Gable, Robert William","Some new morpholine-based Schiff-base complexes; Synthesis, characterization, anticancer activities and theoretical studies","Inorganica Chimica Acta","2020","513","","119935","","10.1016/j.ica.2020.119935","","","0.71073","MoKα","","0.0815","0.0489","","","0.1237","0.1415","","","","","","1.051","","","","has coordinates,has disorder","267344","2021-07-07","09:44:34",""
"1564024","7.168","0.002","9.922","0.003","13.038","0.004","95.413","0.003","96.069","0.003","99.13","0.003","904.5","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 Co2 N4 O18 -","- C40 H26 Co2 N4 O18 -","- C40 H26 Co2 N4 O18 -","1","0.5","","Wei, Han; Huang, Hong; Gao, Wei; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","2D/3D coordination polymers based on di-, tri-, tetranuclear and polymeric chain units with a tricarboxylate ligand: Structures, magnetic and luminescent properties","Inorganica Chimica Acta","2020","513","","119944","","10.1016/j.ica.2020.119944","","","0.71073","MoKα","","0.0306","0.027","","","0.0738","0.076","","","","","","1.06","","","","has coordinates","267371","2021-07-08","06:50:21",""
"1564025","7.09","0.0009","9.9369","0.0008","12.9142","0.0013","95.119","0.001","95.24","0.001","98.968","0.002","890","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 N4 Ni2 O18 -","- C40 H26 N4 Ni2 O18 -","- C40 H26 N4 Ni2 O18 -","1","0.5","","Wei, Han; Huang, Hong; Gao, Wei; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","2D/3D coordination polymers based on di-, tri-, tetranuclear and polymeric chain units with a tricarboxylate ligand: Structures, magnetic and luminescent properties","Inorganica Chimica Acta","2020","513","","119944","","10.1016/j.ica.2020.119944","","","1.54178","CuKα","","0.0875","0.0524","","","0.1032","0.1203","","","","","","1.044","","","","has coordinates","267372","2021-07-08","06:51:52",""
"1564026","21.816","0.004","20.446","0.004","9.4117","0.0018","90","","98.107","0.01","90","","4156.1","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Co3 N4 O20 -","- C34 H26 Co3 N4 O20 -","- C136 H104 Co12 N16 O80 -","4","0.5","","Wei, Han; Huang, Hong; Gao, Wei; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","2D/3D coordination polymers based on di-, tri-, tetranuclear and polymeric chain units with a tricarboxylate ligand: Structures, magnetic and luminescent properties","Inorganica Chimica Acta","2020","513","","119944","","10.1016/j.ica.2020.119944","","","0.71073","MoKα","","0.0781","0.0713","","","0.1755","0.1792","","","","","","1.153","","","","has coordinates,has disorder","267373","2021-07-08","06:53:23",""
"1564027","21.696","0.004","20.317","0.004","9.3364","0.0018","90","","96.793","0.01","90","","4086.6","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 N4 Ni3 O20 -","- C34 H20 N4 Ni3 O20 -","- C136 H80 N16 Ni12 O80 -","4","0.5","","Wei, Han; Huang, Hong; Gao, Wei; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","2D/3D coordination polymers based on di-, tri-, tetranuclear and polymeric chain units with a tricarboxylate ligand: Structures, magnetic and luminescent properties","Inorganica Chimica Acta","2020","513","","119944","","10.1016/j.ica.2020.119944","","","0.71073","MoKα","","0.1255","0.0927","","","0.2304","0.2469","","","","","","1.17","","","","has coordinates,has disorder","267374","2021-07-08","06:54:57",""
"1564028","8.085","0.006","11.114","0.007","13.308","0.009","96.42","0.011","103.431","0.01","106.309","0.012","1096","1.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 Co4 N4 O24 -","- C40 H34 Co4 N4 O24 -","- C40 H34 Co4 N4 O24 -","1","0.5","","Wei, Han; Huang, Hong; Gao, Wei; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","2D/3D coordination polymers based on di-, tri-, tetranuclear and polymeric chain units with a tricarboxylate ligand: Structures, magnetic and luminescent properties","Inorganica Chimica Acta","2020","513","","119944","","10.1016/j.ica.2020.119944","","","0.71073","MoKα","","0.1128","0.0735","","","0.1818","0.2224","","","","","","1.049","","","","has coordinates","267375","2021-07-08","06:56:11",""
"1564029","7.6535","0.0006","10.4489","0.0008","15.2386","0.0014","70.535","0.001","78.626","0.002","68.573","0.001","1065.61","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 N4 O22 Zn4 -","- C38 H36 N4 O22 Zn4 -","- C38 H36 N4 O22 Zn4 -","1","0.5","","Wei, Han; Huang, Hong; Gao, Wei; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","2D/3D coordination polymers based on di-, tri-, tetranuclear and polymeric chain units with a tricarboxylate ligand: Structures, magnetic and luminescent properties","Inorganica Chimica Acta","2020","513","","119944","","10.1016/j.ica.2020.119944","","","0.71073","MoKα","","0.0761","0.0489","","","0.0993","0.1063","","","","","","1.058","","","","has coordinates","267376","2021-07-08","06:57:45",""
"1564030","9.5385","0.0007","10.286","0.0007","11.9881","0.0008","67.471","0.002","83.343","0.002","67.209","0.002","1000.88","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H18 O3 -","- C29 H18 O3 -","- C58 H36 O6 -","2","1","","Turquet, François-Xavier; Garcia-Cirera, Beltzane; Albela, Belén; Bonneviot, Laurent; Font-Bardia, Mercè; Corbella, Montserrat","Reactivity of 9-anthracenecarboxylate in the presence of Mn(II) and Mn(III) ions: Biomimetic aerobic oxidative decarboxylation catalysed by a manganese(III) 2,2′-bipyridine complex","Inorganica Chimica Acta","2020","513","","119949","","10.1016/j.ica.2020.119949","","","0.71073","MoKα","","0.0602","0.0419","","","0.1047","0.1152","","","","","","1.041","","","","has coordinates","267377","2021-07-08","07:11:43",""
"1564031","16.141","0.0007","17.5745","0.0008","24.6954","0.0009","108.768","0.002","91.291","0.002","90.413","0.002","6630.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H60 Mn2 N4 O10 -","- C82 H60 Mn2 N4 O10 -","- C328 H240 Mn8 N16 O40 -","4","2","","Turquet, François-Xavier; Garcia-Cirera, Beltzane; Albela, Belén; Bonneviot, Laurent; Font-Bardia, Mercè; Corbella, Montserrat","Reactivity of 9-anthracenecarboxylate in the presence of Mn(II) and Mn(III) ions: Biomimetic aerobic oxidative decarboxylation catalysed by a manganese(III) 2,2′-bipyridine complex","Inorganica Chimica Acta","2020","513","","119949","","10.1016/j.ica.2020.119949","","","0.71073","MoKα","","0.0538","0.0364","","","0.0831","0.0914","","","","","","1.015","","","","has coordinates","267377","2021-07-08","07:11:43",""
"1564032","10.986","0.005","13.871","0.005","20.06","0.005","90","","93.303","0.005","90","","3051.8","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Cl2 Cu N6 O9 -","- C30 H28 Cl2 Cu N6 O9 -","- C120 H112 Cl8 Cu4 N24 O36 -","4","1","","Mukherjee, Jhumpa; Sengupta, Arunava; Mukherjee, Rabindranath","Five-coordinate [(L2)2CuII(X)]z+ (X = H2O, z = 2; X = N3−, SCN−, NO2−, MeCO2−, Cl−, Br−, z = 1; L2 = 1-benzyl-[3-(2-pyridyl)]pyrazole) complexes: Structural index, EPR and redox potential correlations","Inorganica Chimica Acta","2020","513","","119899","","10.1016/j.ica.2020.119899","","","0.71069","MoKα","","0.045","0.0396","","","0.0954","0.0988","","","","","","1.032","","","","has coordinates","267378","2021-07-08","07:40:39",""
"1564033","12.32","0.005","23.292","0.005","10.738","0.005","90","","105.886","0.005","90","","2963.7","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Cl Cu N9 O4 -","- C30 H26 Cl Cu N9 O4 -","- C120 H104 Cl4 Cu4 N36 O16 -","4","1","","Mukherjee, Jhumpa; Sengupta, Arunava; Mukherjee, Rabindranath","Five-coordinate [(L2)2CuII(X)]z+ (X = H2O, z = 2; X = N3−, SCN−, NO2−, MeCO2−, Cl−, Br−, z = 1; L2 = 1-benzyl-[3-(2-pyridyl)]pyrazole) complexes: Structural index, EPR and redox potential correlations","Inorganica Chimica Acta","2020","513","","119899","","10.1016/j.ica.2020.119899","","","0.71069","MoKα","","0.0499","0.0395","","","0.0988","0.1033","","","","","","1.048","","","","has coordinates","267378","2021-07-08","07:40:43",""
"1564034","10.318","0.005","13.704","0.006","14.428","0.007","68.748","0.012","75.089","0.014","68.32","0.013","1748.8","1.4","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H26 Cl Cu N7 O4 S -","- C31 H26 Cl Cu N7 O4 S -","- C62 H52 Cl2 Cu2 N14 O8 S2 -","2","1","","Mukherjee, Jhumpa; Sengupta, Arunava; Mukherjee, Rabindranath","Five-coordinate [(L2)2CuII(X)]z+ (X = H2O, z = 2; X = N3−, SCN−, NO2−, MeCO2−, Cl−, Br−, z = 1; L2 = 1-benzyl-[3-(2-pyridyl)]pyrazole) complexes: Structural index, EPR and redox potential correlations","Inorganica Chimica Acta","2020","513","","119899","","10.1016/j.ica.2020.119899","","","0.71073","MoKα","","0.1373","0.0822","","","0.1995","0.2291","","","","","","1.006","","","","has coordinates","267378","2021-07-08","07:40:55",""
"1564035","12.4084","0.0004","12.8912","0.0004","13.2892","0.0004","98.105","0.001","111.486","0.001","111.039","0.001","1752.93","0.1","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 Cl Cu N7 O6 -","- C30 H26 Cl Cu N7 O6 -","- C60 H52 Cl2 Cu2 N14 O12 -","2","1","","Mukherjee, Jhumpa; Sengupta, Arunava; Mukherjee, Rabindranath","Five-coordinate [(L2)2CuII(X)]z+ (X = H2O, z = 2; X = N3−, SCN−, NO2−, MeCO2−, Cl−, Br−, z = 1; L2 = 1-benzyl-[3-(2-pyridyl)]pyrazole) complexes: Structural index, EPR and redox potential correlations","Inorganica Chimica Acta","2020","513","","119899","","10.1016/j.ica.2020.119899","","","0.71073","MoKα","","0.0579","0.0474","","","0.1182","0.1256","","","","","","1.039","","","","has coordinates","267378","2021-07-08","07:40:59",""
"1564036","11.962","0.005","12.712","0.005","12.988","0.005","100.54","0.005","107.46","0.005","109.854","0.005","1680.3","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H35 Cl Cu N6 O9 -","- C32 H35 Cl Cu N6 O9 -","- C64 H70 Cl2 Cu2 N12 O18 -","2","1","","Mukherjee, Jhumpa; Sengupta, Arunava; Mukherjee, Rabindranath","Five-coordinate [(L2)2CuII(X)]z+ (X = H2O, z = 2; X = N3−, SCN−, NO2−, MeCO2−, Cl−, Br−, z = 1; L2 = 1-benzyl-[3-(2-pyridyl)]pyrazole) complexes: Structural index, EPR and redox potential correlations","Inorganica Chimica Acta","2020","513","","119899","","10.1016/j.ica.2020.119899","","","0.71069","MoKα","","0.0488","0.0444","","","0.1161","0.1191","","","","","","1.046","","","","has coordinates","267378","2021-07-08","07:41:12",""
"1564037","13.9709","0.0013","15.0437","0.0015","15.3931","0.0014","90","","106.626","0.003","90","","3100","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 Cl2 Cu N7 O4 -","- C32 H29 Cl2 Cu N7 O4 -","- C128 H116 Cl8 Cu4 N28 O16 -","4","1","","Mukherjee, Jhumpa; Sengupta, Arunava; Mukherjee, Rabindranath","Five-coordinate [(L2)2CuII(X)]z+ (X = H2O, z = 2; X = N3−, SCN−, NO2−, MeCO2−, Cl−, Br−, z = 1; L2 = 1-benzyl-[3-(2-pyridyl)]pyrazole) complexes: Structural index, EPR and redox potential correlations","Inorganica Chimica Acta","2020","513","","119899","","10.1016/j.ica.2020.119899","","","0.71073","MoKα","","0.0664","0.0448","","","0.083","0.0935","","","","","","1.097","","","","has coordinates","267378","2021-07-08","07:41:23",""
"1564038","11.4038","0.0011","11.4048","0.0011","13.461","0.0013","74.81","0.003","70.818","0.003","72.847","0.003","1553.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H29 Br Cl Cu N7 O4 -","- C32 H29 Br Cl Cu N7 O4 -","- C64 H58 Br2 Cl2 Cu2 N14 O8 -","2","1","","Mukherjee, Jhumpa; Sengupta, Arunava; Mukherjee, Rabindranath","Five-coordinate [(L2)2CuII(X)]z+ (X = H2O, z = 2; X = N3−, SCN−, NO2−, MeCO2−, Cl−, Br−, z = 1; L2 = 1-benzyl-[3-(2-pyridyl)]pyrazole) complexes: Structural index, EPR and redox potential correlations","Inorganica Chimica Acta","2020","513","","119899","","10.1016/j.ica.2020.119899","","","0.71073","MoKα","","0.061","0.0548","","","0.1597","0.1653","","","","","","1.06","","","","has coordinates","267378","2021-07-08","07:41:34",""
"1564039","34.4959","0.0018","18.5702","0.001","22.5305","0.0012","90","","123.784","0.001","90","","11995.8","1.1","120","2","120.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C63 H65 Gd N14 O6 -","- C63 H65 Gd N14 O6 -","- C504 H520 Gd8 N112 O48 -","8","1","","Taydakov, Ilya V.; Korshunov, Vladislav M.; Belousov, Yuriy A.; Nelyubina, Yulia V.; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio","Synthesis, crystal structure and photophysical properties of mixed-ligand lanthanide complexes with 1,3-diketonates bearing pyrazole moieties and 1,10-phenanthroline","Inorganica Chimica Acta","2020","513","","119922","","10.1016/j.ica.2020.119922","","","0.71073","MoKα","","0.0675","0.0437","","","0.0743","0.0819","","","","","","1.097","","","","has coordinates","267379","2021-07-08","08:10:44",""
"1564040","12.2382","0.0009","20.2285","0.0015","25.7802","0.0019","90","","97.851","0.001","90","","6322.3","0.8","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59.75 H66 Cl3.5 N14 O6.75 Yb -","- C59.75 H66 Cl3.5 N14 O6.75 Yb -","- C239 H264 Cl14 N56 O27 Yb4 -","4","1","","Taydakov, Ilya V.; Korshunov, Vladislav M.; Belousov, Yuriy A.; Nelyubina, Yulia V.; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio","Synthesis, crystal structure and photophysical properties of mixed-ligand lanthanide complexes with 1,3-diketonates bearing pyrazole moieties and 1,10-phenanthroline","Inorganica Chimica Acta","2020","513","","119922","","10.1016/j.ica.2020.119922","","","0.71073","MoKα","","0.0865","0.057","","","0.1267","0.1436","","","","","","1.136","","","","has coordinates,has disorder","267379","2021-07-08","08:10:45",""
"1564041","12.0434","0.0007","20.1747","0.0011","27.3239","0.0016","90","","97.46","0.001","90","","6582.7","0.7","120","2","120.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H71 Lu N14 O6 -","- C69 H71 Lu N14 O6 -","- C276 H284 Lu4 N56 O24 -","4","1","","Taydakov, Ilya V.; Korshunov, Vladislav M.; Belousov, Yuriy A.; Nelyubina, Yulia V.; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio","Synthesis, crystal structure and photophysical properties of mixed-ligand lanthanide complexes with 1,3-diketonates bearing pyrazole moieties and 1,10-phenanthroline","Inorganica Chimica Acta","2020","513","","119922","","10.1016/j.ica.2020.119922","","","0.71073","MoKα","","0.066","0.0413","","","0.0865","0.0974","","","","","","1.056","","","","has coordinates","267379","2021-07-08","08:10:46",""
"1564042","11.4312","0.0002","12.5054","0.0002","12.8166","0.0002","67.053","0.002","78.555","0.001","69.178","0.002","1573.16","0.05","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cl2 Fe N6 O8 -","- C28 H30 Cl2 Fe N6 O8 -","- C56 H60 Cl4 Fe2 N12 O16 -","2","1","","Chatterjee, Arnab; Kaur, Gurpreet; Joshi, Mayank; Choudhury, Angshuman Roy; Ghosh, Rajarshi","pH dependent catecholase activity of Fe(II) complexes of type [Fe(L)]X2 [L = N-(phenyl-pyridin-2-yl-methylene)-ethane-1,2-diamine; X = ClO4− (1), PF6− (2)]: Role of counter anion on turnover number","Inorganica Chimica Acta","2020","513","","119933","","10.1016/j.ica.2020.119933","","","0.71073","MoKα","","0.0788","0.0591","","","0.1725","0.1956","","","","","","1.034","","","","has coordinates","267380","2021-07-08","08:15:58",""
"1564043","11.8627","0.0002","12.6978","0.0002","12.9813","0.0003","66.204","0.002","75.134","0.002","70.645","0.002","1670.85","0.06","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 F12 Fe N6 P2 -","- C28 H30 F12 Fe N6 P2 -","- C56 H60 F24 Fe2 N12 P4 -","2","1","","Chatterjee, Arnab; Kaur, Gurpreet; Joshi, Mayank; Choudhury, Angshuman Roy; Ghosh, Rajarshi","pH dependent catecholase activity of Fe(II) complexes of type [Fe(L)]X2 [L = N-(phenyl-pyridin-2-yl-methylene)-ethane-1,2-diamine; X = ClO4− (1), PF6− (2)]: Role of counter anion on turnover number","Inorganica Chimica Acta","2020","513","","119933","","10.1016/j.ica.2020.119933","","x-ray","0.71073","MoKα","","0.0883","0.066","","","0.1846","0.2215","","","","","","1.052","","","","has coordinates","267381","2021-07-08","08:17:45",""
"1564044","10.7327","0.0006","10.7327","0.0006","12.6277","0.001","90","","90","","90","","1454.6","0.16","213","2","213","2","","","","","","","","5","P 41","P 4w","76","","","","- C13 H19 N2 Na O4 -","- C13 H19 N2 Na O4 -","- C52 H76 N8 Na4 O16 -","4","1","","Caballero, Pedro; Colodrero, Rosario M.P.; Conejo, María del Mar; Pastor, Antonio; Álvarez, Eleuterio; Montilla, Francisco; Carrasco, Carlos J.; Nicasio, Antonio I.; Galindo, Agustín","Homochiral imidazolium-based dicarboxylate compounds: Structure and solution behaviour","Inorganica Chimica Acta","2020","513","","119923","","10.1016/j.ica.2020.119923","","","0.71073","MoKα","","0.0307","0.0297","","","0.0819","0.0824","","","","","","1.001","","","","has coordinates","267382","2021-07-08","08:26:19",""
"1564045","11.1542","0.0002","11.1542","0.0002","12.5224","0.0003","90","","90","","90","","1557.99","0.05","193","2","193","2","","","","","","","","4","P 41","P 4w","76","","","","- C13 H23 N3 O4 -","- C13 H23 N3 O4 -","- C52 H92 N12 O16 -","4","1","","Caballero, Pedro; Colodrero, Rosario M.P.; Conejo, María del Mar; Pastor, Antonio; Álvarez, Eleuterio; Montilla, Francisco; Carrasco, Carlos J.; Nicasio, Antonio I.; Galindo, Agustín","Homochiral imidazolium-based dicarboxylate compounds: Structure and solution behaviour","Inorganica Chimica Acta","2020","513","","119923","","10.1016/j.ica.2020.119923","","","0.71073","MoKα","","0.0253","0.0251","","","0.0642","0.0644","","","","","","1.06","","","","has coordinates","267382","2021-07-08","08:26:20",""
"1564046","10.7365","0.0013","10.7365","0.0013","12.6548","0.0019","90","","90","","90","","1458.7","0.3","193","2","193","2","","","","","","","","5","P 43","P 4cw","78","","","","- C13 H19 N2 Na O4 -","- C13 H19 N2 Na O4 -","- C52 H76 N8 Na4 O16 -","4","1","","Caballero, Pedro; Colodrero, Rosario M.P.; Conejo, María del Mar; Pastor, Antonio; Álvarez, Eleuterio; Montilla, Francisco; Carrasco, Carlos J.; Nicasio, Antonio I.; Galindo, Agustín","Homochiral imidazolium-based dicarboxylate compounds: Structure and solution behaviour","Inorganica Chimica Acta","2020","513","","119923","","10.1016/j.ica.2020.119923","","","0.71073","MoKα","","0.0308","0.027","","","0.0646","0.0659","","","","","","1.025","","","","has coordinates","267382","2021-07-08","08:26:23",""
"1564047","11.1555","0.0009","11.1555","0.0009","12.526","0.002","90","","90","","90","","1558.8","0.3","193","2","193","2","","","","","","","","4","P 43","P 4cw","78","","","","- C13 H23 N3 O4 -","- C13 H23 N3 O4 -","- C52 H92 N12 O16 -","4","1","","Caballero, Pedro; Colodrero, Rosario M.P.; Conejo, María del Mar; Pastor, Antonio; Álvarez, Eleuterio; Montilla, Francisco; Carrasco, Carlos J.; Nicasio, Antonio I.; Galindo, Agustín","Homochiral imidazolium-based dicarboxylate compounds: Structure and solution behaviour","Inorganica Chimica Acta","2020","513","","119923","","10.1016/j.ica.2020.119923","","","0.71073","MoKα","","0.0298","0.027","","","0.0644","0.0656","","","","","","1.049","","","","has coordinates","267382","2021-07-08","08:26:26",""
"1564048","16.868","0.014","8.211","0.007","26.122","0.002","90","","103.88","0.009","90","","3512","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H50 Cl4 N4 Ru2 -","- C34 H50 Cl4 N4 Ru2 -","- C136 H200 Cl16 N16 Ru8 -","4","1","","Pettinari, Claudio; Pettinari, Riccardo; Xhaferai, Nertil; Giambastiani, Giuliano; Rossin, Andrea; Bonfili, Laura; Maria Eleuteri, Anna; Cuccioloni, Massimiliano","Binuclear 3,3′,5,5′-tetramethyl-1H,H-4,4′-bipyrazole Ruthenium(II) complexes: Synthesis, characterization and biological studies","Inorganica Chimica Acta","2020","513","","119902","","10.1016/j.ica.2020.119902","","x-ray","1.54184","CuKα","","0.0431","0.0351","","","0.0849","0.0915","","","","","","1.071","","","","has coordinates","267383","2021-07-08","08:29:53",""
"1564049","10.4234","0.0009","19.009","0.0013","20.6686","0.0015","90","","99.086","0.003","90","","4043.9","0.5","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 O10 P2 Ru2 -","- C44 H36 O10 P2 Ru2 -","- C176 H144 O40 P8 Ru8 -","4","1","","Barik, Chandan Kr; Ganguly, Rakesh; Garcia, Felipe; Leong, Weng Kee","Encapsulating ruthenium in silica using a single source precursor: Differing outcomes for a cycloaddition reaction","Inorganica Chimica Acta","2020","512","","119833","","10.1016/j.ica.2020.119833","","","0.71073","MoKα","","0.0593","0.0406","","","0.0926","0.1036","","","","","","1.053","","","","has coordinates,has disorder","267384","2021-07-08","09:03:34",""
"1564050","10.5028","0.0003","13.6946","0.0004","20.5244","0.0006","72.1988","0.0016","85.7229","0.0017","71.1619","0.0014","2659.21","0.14","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H55 N O10 P2 Ru2 Si2 -","- C52 H55 N O10 P2 Ru2 Si2 -","- C104 H110 N2 O20 P4 Ru4 Si4 -","2","1","","Barik, Chandan Kr; Ganguly, Rakesh; Garcia, Felipe; Leong, Weng Kee","Encapsulating ruthenium in silica using a single source precursor: Differing outcomes for a cycloaddition reaction","Inorganica Chimica Acta","2020","512","","119833","","10.1016/j.ica.2020.119833","","","0.71073","MoKα","","0.0477","0.0336","","","0.0802","0.0885","","","","","","1.058","","","","has coordinates","267385","2021-07-08","09:09:38",""
"1564051","12.6618","0.0004","13.7592","0.0004","20.8909","0.0006","99.037","0.0016","98.5968","0.0017","117.376","0.0014","3088.14","0.17","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C56.66 H65.32 Cl1.32 O16 P2 Ru2 Si2 -","- C56.66 H65.32 Cl1.32 O16 P2 Ru2 Si2 -","- C113.32 H130.64 Cl2.64 O32 P4 Ru4 Si4 -","2","1","","Barik, Chandan Kr; Ganguly, Rakesh; Garcia, Felipe; Leong, Weng Kee","Encapsulating ruthenium in silica using a single source precursor: Differing outcomes for a cycloaddition reaction","Inorganica Chimica Acta","2020","512","","119833","","10.1016/j.ica.2020.119833","","","0.71073","MoKα","","0.0688","0.0412","","","0.0937","0.1091","","","","","","1.06","","","","has coordinates,has disorder","267386","2021-07-08","09:11:53",""
"1564052","12.8759","0.0004","10.8756","0.0004","16.4979","0.0008","90","","106.946","0.0018","90","","2209.94","0.15","188","2","188","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 B F4 N2 O P Pt -","- C22 H20 B F4 N2 O P Pt -","- C88 H80 B4 F16 N8 O4 P4 Pt4 -","4","1","","Mori, Masatoshi; Suzuki, Takayoshi","Mixed-ligand platinum(II) complexes containing 2-(2′-pyridyl)phenyl and 8-quinolylphosphines: Synthesis and molecular structures in the crystals and in solution","Inorganica Chimica Acta","2020","512","","119862","","10.1016/j.ica.2020.119862","","","0.71075","MoKα","","0.027","0.0231","","","0.0565","0.0581","","","","","","1.059","","","","has coordinates","267387","2021-07-08","09:16:21",""
"1564053","9.2877","0.0003","13.2977","0.0009","14.0554","0.0009","64.82","0.004","77.791","0.003","70.929","0.004","1479.4","0.16","188","2","188","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H24 F3 N2 O3 P Pt S -","- C33 H24 F3 N2 O3 P Pt S -","- C66 H48 F6 N4 O6 P2 Pt2 S2 -","2","1","","Mori, Masatoshi; Suzuki, Takayoshi","Mixed-ligand platinum(II) complexes containing 2-(2′-pyridyl)phenyl and 8-quinolylphosphines: Synthesis and molecular structures in the crystals and in solution","Inorganica Chimica Acta","2020","512","","119862","","10.1016/j.ica.2020.119862","","","0.71075","MoKα","","0.0395","0.0364","","","0.0775","0.0911","","","","","","1.083","","","","has coordinates","267388","2021-07-08","09:17:59",""
"1564054","9.6434","0.0007","22.6286","0.0014","14.943","0.0008","90","","90.276","0.002","90","","3260.8","0.4","188","2","188","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 F3 N2 O4 P Pt S -","- C35 H30 F3 N2 O4 P Pt S -","- C140 H120 F12 N8 O16 P4 Pt4 S4 -","4","1","","Mori, Masatoshi; Suzuki, Takayoshi","Mixed-ligand platinum(II) complexes containing 2-(2′-pyridyl)phenyl and 8-quinolylphosphines: Synthesis and molecular structures in the crystals and in solution","Inorganica Chimica Acta","2020","512","","119862","","10.1016/j.ica.2020.119862","","","0.71075","MoKα","","0.0453","0.0368","","","0.0833","0.0913","","","","","","1.076","","","","has coordinates","267389","2021-07-08","09:19:00",""
"1564055","18.754","0.001","8.0883","0.0005","24.8439","0.0015","90","","99.739","0.002","90","","3714.2","0.4","188","2","188","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 B F4 N4 P Pt -","- C42 H34 B F4 N4 P Pt -","- C168 H136 B4 F16 N16 P4 Pt4 -","4","1","","Mori, Masatoshi; Suzuki, Takayoshi","Mixed-ligand platinum(II) complexes containing 2-(2′-pyridyl)phenyl and 8-quinolylphosphines: Synthesis and molecular structures in the crystals and in solution","Inorganica Chimica Acta","2020","512","","119862","","10.1016/j.ica.2020.119862","","","0.71075","MoKα","","0.0334","0.0254","","","0.0538","0.0568","","","","","","1.028","","","","has coordinates","267390","2021-07-08","09:20:29",""
"1564056","12.5812","0.0012","18.4686","0.0017","16.8024","0.0015","90","","95.919","0.002","90","","3883.3","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 Dy F18 N3 O9 -","- C28 H21 Dy F18 N3 O9 -","- C112 H84 Dy4 F72 N12 O36 -","4","1","","Hu, Peng; Wu, Yan-Ni; Zhao, Yan-Hua; Cao, Jiang-Fei; Lai, Jia-Long; Ma, Dan-Yu; Zhu, Li-Li; Xiao, Feng-Ping","Structure changes from radical-3d ring dimer to radical-3d-4f 1D chain with different magnetic properties","Inorganica Chimica Acta","2020","512","","119867","","10.1016/j.ica.2020.119867","","","0.71073","MoKα","","0.0477","0.0414","","","0.1243","0.1397","","","","","","1.005","","","","has coordinates","267391","2021-07-08","09:24:53",""
"1564057","30.582","0.002","10.425","0.0007","22.2316","0.0016","90","","109.007","0.002","90","","6701.4","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H41 Cu Dy F30 N6 O16 -","- C51 H41 Cu Dy F30 N6 O16 -","- C204 H164 Cu4 Dy4 F120 N24 O64 -","4","0.5","","Hu, Peng; Wu, Yan-Ni; Zhao, Yan-Hua; Cao, Jiang-Fei; Lai, Jia-Long; Ma, Dan-Yu; Zhu, Li-Li; Xiao, Feng-Ping","Structure changes from radical-3d ring dimer to radical-3d-4f 1D chain with different magnetic properties","Inorganica Chimica Acta","2020","512","","119867","","10.1016/j.ica.2020.119867","","","0.71073","MoKα","","0.0446","0.0399","","","0.1219","0.1308","","","","","","0.999","","","","has coordinates","267392","2021-07-08","09:27:23",""
"1564058","12.552","0.003","18.502","0.004","16.782","0.003","90","","95.72","0.03","90","","3878","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 F18 Gd N3 O9 -","- C28 H21 F18 Gd N3 O9 -","- C112 H84 F72 Gd4 N12 O36 -","4","1","","Hu, Peng; Wu, Yan-Ni; Zhao, Yan-Hua; Cao, Jiang-Fei; Lai, Jia-Long; Ma, Dan-Yu; Zhu, Li-Li; Xiao, Feng-Ping","Structure changes from radical-3d ring dimer to radical-3d-4f 1D chain with different magnetic properties","Inorganica Chimica Acta","2020","512","","119867","","10.1016/j.ica.2020.119867","","","0.71073","MoKα","","0.042","0.0356","","","0.1156","0.1277","","","","","","1.007","","","","has coordinates","267393","2021-07-08","09:30:21",""
"1564059","30.704","0.004","10.3832","0.0013","22.267","0.003","90","","108.813","0.003","90","","6719.6","1.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H41 Cu F30 Gd N6 O16 -","- C51 H41 Cu F30 Gd N6 O16 -","- C204 H164 Cu4 F120 Gd4 N24 O64 -","4","0.5","","Hu, Peng; Wu, Yan-Ni; Zhao, Yan-Hua; Cao, Jiang-Fei; Lai, Jia-Long; Ma, Dan-Yu; Zhu, Li-Li; Xiao, Feng-Ping","Structure changes from radical-3d ring dimer to radical-3d-4f 1D chain with different magnetic properties","Inorganica Chimica Acta","2020","512","","119867","","10.1016/j.ica.2020.119867","","","0.71073","MoKα","","0.0582","0.0425","","","0.118","0.1368","","","","","","1.025","","","","has coordinates","267394","2021-07-08","09:32:26",""
"1564060","12.563","0.0007","18.4708","0.001","16.761","0.0009","90","","95.802","0.001","90","","3869.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 F18 N3 O9 Tb -","- C28 H21 F18 N3 O9 Tb -","- C112 H84 F72 N12 O36 Tb4 -","4","1","","Hu, Peng; Wu, Yan-Ni; Zhao, Yan-Hua; Cao, Jiang-Fei; Lai, Jia-Long; Ma, Dan-Yu; Zhu, Li-Li; Xiao, Feng-Ping","Structure changes from radical-3d ring dimer to radical-3d-4f 1D chain with different magnetic properties","Inorganica Chimica Acta","2020","512","","119867","","10.1016/j.ica.2020.119867","","","0.71073","MoKα","","0.046","0.0361","","","0.116","0.1291","","","","","","1.001","","","","has coordinates","267395","2021-07-08","09:33:29",""
"1564061","30.634","0.004","10.4037","0.0016","22.235","0.003","90","","108.812","0.003","90","","6707.9","1.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H41 Cu F30 N6 O16 Tb -","- C51 H41 Cu F30 N6 O16 Tb -","- C204 H164 Cu4 F120 N24 O64 Tb4 -","4","0.5","","Hu, Peng; Wu, Yan-Ni; Zhao, Yan-Hua; Cao, Jiang-Fei; Lai, Jia-Long; Ma, Dan-Yu; Zhu, Li-Li; Xiao, Feng-Ping","Structure changes from radical-3d ring dimer to radical-3d-4f 1D chain with different magnetic properties","Inorganica Chimica Acta","2020","512","","119867","","10.1016/j.ica.2020.119867","","","0.71073","MoKα","","0.0728","0.0691","","","0.2026","0.2074","","","","","","1.019","","","","has coordinates","267396","2021-07-08","09:34:52",""
"1564062","8.1246","0.0016","13.74","0.003","17.365","0.003","71.02","0.03","82.53","0.03","80.15","0.03","1800.3","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H60 Cl4 F12 N4 Nd2 O16 P2 -","- C48 H60 Cl4 F12 N4 Nd2 O16 P2 -","- C48 H60 Cl4 F12 N4 Nd2 O16 P2 -","1","0.5","","Zou, Xiaoyan; Du, Chenyu; Dong, Yanping; Li, Guangming","Luminescence and structure of a family of salen type dinuclear lanthanide complexes","Inorganica Chimica Acta","2020","512","","119860","","10.1016/j.ica.2020.119860","","","0.71073","MoKα","","0.1228","0.074","","","0.1778","0.2101","","","","","","0.999","","","","has coordinates","267397","2021-07-08","09:39:17",""
"1564063","12.351","0.003","23.881","0.005","15.407","0.006","90","","126.76","0.02","90","","3641","2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 Cl8 F12 N4 O16 P2 Sm2 -","- C50 H64 Cl8 F12 N4 O16 P2 Sm2 -","- C100 H128 Cl16 F24 N8 O32 P4 Sm4 -","2","0.5","","Zou, Xiaoyan; Du, Chenyu; Dong, Yanping; Li, Guangming","Luminescence and structure of a family of salen type dinuclear lanthanide complexes","Inorganica Chimica Acta","2020","512","","119860","","10.1016/j.ica.2020.119860","","","0.71073","MoKα","","0.1374","0.067","","","0.1724","0.2071","","","","","","0.955","","","","has coordinates","267397","2021-07-08","09:39:17",""
"1564064","8.1076","0.0016","13.744","0.003","17.225","0.003","70.59","0.03","82.28","0.03","80.23","0.03","1777.8","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H60 Cl4 Eu2 F12 N4 O16 P2 -","- C48 H60 Cl4 Eu2 F12 N4 O16 P2 -","- C48 H60 Cl4 Eu2 F12 N4 O16 P2 -","1","0.5","","Zou, Xiaoyan; Du, Chenyu; Dong, Yanping; Li, Guangming","Luminescence and structure of a family of salen type dinuclear lanthanide complexes","Inorganica Chimica Acta","2020","512","","119860","","10.1016/j.ica.2020.119860","","","0.71073","MoKα","","0.0794","0.0555","","","0.1472","0.1716","","","","","","1.004","","","","has coordinates","267397","2021-07-08","09:39:18",""
"1564065","12.2665","0.0008","23.2104","0.0016","15.2805","0.0008","90","","126.165","0.004","90","","3512.3","0.4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 Cl8 F12 Gd2 N4 O16 P2 -","- C50 H64 Cl8 F12 Gd2 N4 O16 P2 -","- C100 H128 Cl16 F24 Gd4 N8 O32 P4 -","2","0.5","","Zou, Xiaoyan; Du, Chenyu; Dong, Yanping; Li, Guangming","Luminescence and structure of a family of salen type dinuclear lanthanide complexes","Inorganica Chimica Acta","2020","512","","119860","","10.1016/j.ica.2020.119860","","","0.71073","MoKα","","0.0885","0.0534","","","0.1196","0.1334","","","","","","1.08","","","","has coordinates","267397","2021-07-08","09:39:18",""
"1564066","8.0876","0.0016","13.981","0.003","17.126","0.003","70.44","0.03","81.52","0.03","79.34","0.03","1785.6","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H60 Cl4 F12 N4 O16 P2 Tb2 -","- C48 H60 Cl4 F12 N4 O16 P2 Tb2 -","- C48 H60 Cl4 F12 N4 O16 P2 Tb2 -","1","0.5","","Zou, Xiaoyan; Du, Chenyu; Dong, Yanping; Li, Guangming","Luminescence and structure of a family of salen type dinuclear lanthanide complexes","Inorganica Chimica Acta","2020","512","","119860","","10.1016/j.ica.2020.119860","","","0.71073","MoKα","","0.0659","0.0532","","","0.147","0.1607","","","","","","1.066","","","","has coordinates","267397","2021-07-08","09:39:18",""
"1564067","24.4722","0.0017","9.5751","0.0007","21.1469","0.0015","90","","110.25","0.002","90","","4648.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H65 N3 Ni O4 -","- C51 H65 N3 Ni O4 -","- C204 H260 N12 Ni4 O16 -","4","1","","Zolotukhin, Alexey A.; Korshunova, Anastasiya A.; Bubnov, Michael P.; Bogomyakov, Artem S.; Baranov, Evgeny V.; Cherkasov, Vladimir K.","Nickel(II) and Cobalt(III) bis(dioxolene) complexes with di(2-pyridyl)imine ligands: Synthesis and magnetic properties","Inorganica Chimica Acta","2020","512","","119869","","10.1016/j.ica.2020.119869","","","0.71073","MoKα","","0.0634","0.0487","","","0.0906","0.0951","","","","","","1.081","","","","has coordinates","267398","2021-07-08","09:42:10",""
"1564068","27.5155","0.0013","9.1058","0.0004","26.9787","0.0011","90","","115.946","0.004","90","","6078.2","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 As Cl3 N2 O2 Pd -","- C32 H22 As Cl3 N2 O2 Pd -","- C256 H176 As8 Cl24 N16 O16 Pd8 -","8","1","","Ayyannan, Ganesan; Mohanraj, Maruthachalam; Gopiraman, Mayakrishnan; Uthayamalar, Ramasamy; Raja, Gunasekaran; Bhuvanesh, Nanjan; Nandhakumar, Raju; Jayabalakrishnan, Chinnasamy","New Palladium(II) complexes with ONO chelated hydrazone ligand: Synthesis, characterization, DNA/BSA interaction, antioxidant and cytotoxicity","Inorganica Chimica Acta","2020","512","","119868","","10.1016/j.ica.2020.119868","","","0.71073","MoKα","","0.0682","0.0382","","","0.0938","0.1196","","","","","","1.126","","","","has coordinates","267399","2021-07-08","09:46:16",""
"1564069","26.612","0.003","6.4992","0.0006","18.059","0.002","90","","111.626","0.006","90","","2903.6","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 Cl3 N2 O2 -","- C14 H9 Cl3 N2 O2 -","- C112 H72 Cl24 N16 O16 -","8","1","","Ayyannan, Ganesan; Mohanraj, Maruthachalam; Gopiraman, Mayakrishnan; Uthayamalar, Ramasamy; Raja, Gunasekaran; Bhuvanesh, Nanjan; Nandhakumar, Raju; Jayabalakrishnan, Chinnasamy","New Palladium(II) complexes with ONO chelated hydrazone ligand: Synthesis, characterization, DNA/BSA interaction, antioxidant and cytotoxicity","Inorganica Chimica Acta","2020","512","","119868","","10.1016/j.ica.2020.119868","","","0.71073","MoKα","","0.0501","0.039","","","0.103","0.1122","","","","","","1.021","","","","has coordinates","267399","2021-07-08","09:46:17",""
"1564074","20.333","0.003","10.3696","0.0014","9.3867","0.0011","90","","99.726","0.003","90","","1950.7","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O8 S2 Zn -","- C17 H22 O8 S2 Zn -","- C68 H88 O32 S8 Zn4 -","4","1","","Almáši, Miroslav; Walko, Martin; Boržíková, Jana; Gyepes, Róbert","A novel approach to achieve molecular switching in solid-state driving by thermal treatment: A photochromic zinc-coordination polymer","Inorganica Chimica Acta","2020","512","","119879","","10.1016/j.ica.2020.119879","","","0.71073","MoKα","","0.1174","0.0532","","","0.0876","0.1041","","","","","","0.993","","","","has coordinates","267420","2021-07-09","08:10:34",""
"1564075","5.3124","0.0004","7.3148","0.0004","9.7421","0.0007","80.58","0.005","89.658","0.006","72.544","0.006","355.89","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","diaaqua-bis(pyridazine-3-carboxylato)-manganese(II) dihydrate","","- C10 H14 Mn N4 O8 -","- C10 H14 Mn N4 O8 -","- C10 H14 Mn N4 O8 -","1","0.5","","Świderski, Grzegorz; Łyszczek, Renata; Wojtulewski, Sławomir; Kalinowska, Monika; Świsłocka, Renata; Lewandowski, Włodzimierz","Comparison of structural, spectroscopic, theoretical and thermal properties of metal complexes (Zn(II), Mn(II), Cu(II), Ni(II) and Co(II)) of pyridazine-3-carboxylic acid and pyridazine-4-carboxylic acids","Inorganica Chimica Acta","2020","512","","119865","","10.1016/j.ica.2020.119865","","x-ray","1.54184","CuKα","","0.038","0.0358","","","0.0953","0.0966","","","","","","1.118","","","","has coordinates","267421","2021-07-09","08:17:26",""
"1564076","19.117","0.001","6.7745","0.0003","6.2323","0.0004","90","","97.344","0.005","90","","800.51","0.08","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H18 Mn N4 O10 -","- C10 H18 Mn N4 O10 -","- C20 H36 Mn2 N8 O20 -","2","0.25","","Świderski, Grzegorz; Łyszczek, Renata; Wojtulewski, Sławomir; Kalinowska, Monika; Świsłocka, Renata; Lewandowski, Włodzimierz","Comparison of structural, spectroscopic, theoretical and thermal properties of metal complexes (Zn(II), Mn(II), Cu(II), Ni(II) and Co(II)) of pyridazine-3-carboxylic acid and pyridazine-4-carboxylic acids","Inorganica Chimica Acta","2020","512","","119865","","10.1016/j.ica.2020.119865","","x-ray","1.54184","CuKα","","0.1073","0.0866","","","0.2056","0.2428","","","","","","1.122","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1564077","19.229","0.007","10.703","0.003","14.694","0.004","90","","120.159","0.004","90","","2614.8","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 N6 O5 Zn -","- C12 H8 N6 O5 Zn -","- C96 H64 N48 O40 Zn8 -","8","1","","Cai, Hua; Li, Na; Li, Yan; An, Dong-Ming","New three-dimensional Zn(II)/Cd(II)-based coordination polymers as luminescent sensor for Cu2+","Inorganica Chimica Acta","2020","512","","119886","","10.1016/j.ica.2020.119886","","","0.71073","MoKα","","0.0551","0.0356","","","0.0709","0.0779","","","","","","1.004","","","","has coordinates","267422","2021-07-09","08:23:39",""
"1564078","7.4676","0.0007","15.9129","0.0016","10.1478","0.001","90","","90.707","0.001","90","","1205.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Cd N6 O4 -","- C12 H6 Cd N6 O4 -","- C48 H24 Cd4 N24 O16 -","4","1","","Cai, Hua; Li, Na; Li, Yan; An, Dong-Ming","New three-dimensional Zn(II)/Cd(II)-based coordination polymers as luminescent sensor for Cu2+","Inorganica Chimica Acta","2020","512","","119886","","10.1016/j.ica.2020.119886","","","0.71073","MoKα","","0.0495","0.0313","","","0.0654","0.0717","","","","","","1.054","","","","has coordinates","267422","2021-07-09","08:23:43",""
"1564079","12.2328","0.0006","13.2313","0.0007","14.8528","0.0008","63.889","0.002","76.568","0.002","76.802","0.002","2077.63","0.19","297","2","297","2","","","","","","","","6","P -1","-P 1","2","bismuth(III) benzoyl-N,N-morpholylthiourea","","","- C78 H90 Bi2 N12 O14 S6 -","- C78 H90 Bi2 N12 O14 S6 -","- C78 H90 Bi2 N12 O14 S6 -","1","0.5","","de Oliveira, Marcielli Indiara; Chuy, Gabriela Pereira; Vizzotto, Bruno Stefanello; Burrow, Robert Alan; Lang, Ernesto Schulz; dos Santos, Sailer Santos","Synthesis, characterization and biological applications of bismuth(III) complexes with aroylthiourea ligands","Inorganica Chimica Acta","2020","512","","119871","","10.1016/j.ica.2020.119871","","","0.71073","MoKα","","0.0254","0.0213","","","0.0484","0.0497","","","","","","1.057","","","","has coordinates,has disorder","267423","2021-07-09","08:37:33",""
"1564080","71.6534","0.0014","10.6297","0.0004","21.2674","0.0009","90","","103.808","0.0014","90","","15730.3","0.9","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bismuth(III) benzoyl-N,N-diethyltiourea","","","- C144 H183 Bi3 N24 O12 S12 -","- C144 H183 Bi3 N24 O12 S12 -","- C576 H732 Bi12 N96 O48 S48 -","4","0.5","","de Oliveira, Marcielli Indiara; Chuy, Gabriela Pereira; Vizzotto, Bruno Stefanello; Burrow, Robert Alan; Lang, Ernesto Schulz; dos Santos, Sailer Santos","Synthesis, characterization and biological applications of bismuth(III) complexes with aroylthiourea ligands","Inorganica Chimica Acta","2020","512","","119871","","10.1016/j.ica.2020.119871","","","0.71073","MoKα","","0.0752","0.0451","","","0.0841","0.092","","","","","","1.127","","","","has coordinates,has disorder","267423","2021-07-09","08:37:37",""
"1564081","17.253","0.002","22.953","0.003","19.622","0.003","90","","100.207","0.004","90","","7647.5","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bismuth(III) 2,6-dipicolylbis(N,N-diethylthiourea)","","","- C102 H145 Bi6 N36 O34 S12 -","- C102 H138 Bi6 N36 O34 S12 -","- C204 H276 Bi12 N72 O68 S24 -","2","0.5","","de Oliveira, Marcielli Indiara; Chuy, Gabriela Pereira; Vizzotto, Bruno Stefanello; Burrow, Robert Alan; Lang, Ernesto Schulz; dos Santos, Sailer Santos","Synthesis, characterization and biological applications of bismuth(III) complexes with aroylthiourea ligands","Inorganica Chimica Acta","2020","512","","119871","","10.1016/j.ica.2020.119871","","","0.56086","AgKα","","0.1094","0.0459","","","0.0926","0.1152","","","","","","1.054","","","","has coordinates,has disorder","267423","2021-07-09","08:37:37",""
"1564082","33.624","0.003","33.624","0.003","10.496","0.001","90","","90","","120","","10276.7","1.6","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C11 H8 Cu2 N2 O9 P -","- C11 H8 Cu2 N2 O9 P -","- C198 H144 Cu36 N36 O162 P18 -","18","1","","Ye, Qing; Zhang, Li; Shao, Zhou-Li; Zhang, Wei; Li, Chao; Ye, Xiang-Ming","Two Cu(II)-organic frameworks: Effective CO2 fixation and protective activity on the motor function after stroke by increasing neural stem cells differentiation","Inorganica Chimica Acta","2020","512","","119880","","10.1016/j.ica.2020.119880","","","0.71069","MoKα","","0.054","0.0399","","","0.1055","0.1163","","","","","","1.091","","","","has coordinates,has disorder","267424","2021-07-09","08:49:53",""
"1564083","10.6291","0.001","12.6642","0.001","13.5792","0.0013","90","","108.863","0.002","90","","1729.7","0.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 Cu N2 O4 -","- C11 H6 Cu N2 O4 -","- C44 H24 Cu4 N8 O16 -","4","1","","Ye, Qing; Zhang, Li; Shao, Zhou-Li; Zhang, Wei; Li, Chao; Ye, Xiang-Ming","Two Cu(II)-organic frameworks: Effective CO2 fixation and protective activity on the motor function after stroke by increasing neural stem cells differentiation","Inorganica Chimica Acta","2020","512","","119880","","10.1016/j.ica.2020.119880","","","0.71073","MoKα","","0.0925","0.086","","","0.2185","0.222","","","","","","1.091","","","","has coordinates","267424","2021-07-09","08:49:54",""
"1564084","23.654","0.003","22.295","0.002","13.6451","0.0014","90","","73.421","0.003","90","","6896.8","1.3","130","2","130","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C10 H10 Cl N4 O4 Zn -","- C12.6316 Cl0.210526 N2.52632 Zn0.421053 -","- C240 Cl4 N48 Zn8 -","19","4.75","","Annan, Neveen A.; Butler, Ian S.; Osman, Yehia A.; Hussein, Mervat H.; Jean-Claude, Bertrand J.; Saad, Eman M.; Mostafa, Sahar I.","Complexes based N,N-donors (2,2′-bipyridyl & 2-(2-aminophenyl)benzimidazole); Synthesis, characterization, DNA interaction and toxicity assessment against Chlorella vulgaris microchlorophyte; X-ray crystal structure of [Zn(bpy)3)]Cl2","Inorganica Chimica Acta","2020","512","","119885","","10.1016/j.ica.2020.119885","","","0.71073","MoKα","","0.3302","0.2564","","","0.614","0.6364","","","","","","3.83","","","","has coordinates","267425","2021-07-09","09:18:31",""
"1564085","26.019","0.004","7.7481","0.0011","22.772","0.003","90","","92.03","0.002","90","","4587.9","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H16 Ag2 F22 N2 O9 -","- C42 H16 Ag2 F22 N2 O9 -","- C168 H64 Ag8 F88 N8 O36 -","4","0.5","","Han, Jing; Ye, Na; Zhang, Xu; Yu, Zhong; Wang, Jun; Zhang, Yongdi; Wan, Yi","Ligand-controlled self-assembly of Ag(I) complexes with cyano-containing ligands and their tunable antimicrobial activities","Inorganica Chimica Acta","2020","512","","119873","","10.1016/j.ica.2020.119873","","","0.71073","MoKα","","0.0411","0.0348","","","0.1001","0.1053","","","","","","1.026","","","","has coordinates,has disorder","267426","2021-07-09","09:24:17",""
"1564086","25.86","0.004","7.786","0.0011","22.864","0.003","90","","91.177","0.002","90","","4602.6","1.1","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H18 Ag2 F22 N2 O9 -","- C43 H18 Ag2 F22 N2 O9 -","- C172 H72 Ag8 F88 N8 O36 -","4","0.5","","Han, Jing; Ye, Na; Zhang, Xu; Yu, Zhong; Wang, Jun; Zhang, Yongdi; Wan, Yi","Ligand-controlled self-assembly of Ag(I) complexes with cyano-containing ligands and their tunable antimicrobial activities","Inorganica Chimica Acta","2020","512","","119873","","10.1016/j.ica.2020.119873","","","0.71073","MoKα","","0.0361","0.0318","","","0.0897","0.0933","","","","","","1.032","","","","has coordinates,has disorder","267427","2021-07-09","09:27:25",""
"1564087","25.6197","0.0018","7.7014","0.0005","23.3224","0.0016","90","","91.981","0.001","90","","4598.9","0.5","100","2","100.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C44 H20 Ag2 F22 N2 O9 -","- C44 H20 Ag2 F22 N2 O9 -","- C176 H80 Ag8 F88 N8 O36 -","4","1","","Han, Jing; Ye, Na; Zhang, Xu; Yu, Zhong; Wang, Jun; Zhang, Yongdi; Wan, Yi","Ligand-controlled self-assembly of Ag(I) complexes with cyano-containing ligands and their tunable antimicrobial activities","Inorganica Chimica Acta","2020","512","","119873","","10.1016/j.ica.2020.119873","","","0.71073","MoKα","","0.0258","0.0242","","","0.0528","0.0532","","","","","","1.017","","","","has coordinates","267428","2021-07-09","09:28:26",""
"1564088","12.157","0.011","14.178","0.013","17.996","0.018","76.12","0.02","82.706","0.019","77.964","0.018","2935","5","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H28 Ag2 F22 N4 O9 -","- C62 H28 Ag2 F22 N4 O9 -","- C124 H56 Ag4 F44 N8 O18 -","2","1","","Han, Jing; Ye, Na; Zhang, Xu; Yu, Zhong; Wang, Jun; Zhang, Yongdi; Wan, Yi","Ligand-controlled self-assembly of Ag(I) complexes with cyano-containing ligands and their tunable antimicrobial activities","Inorganica Chimica Acta","2020","512","","119873","","10.1016/j.ica.2020.119873","","","0.71073","MoKα","","0.179","0.0667","","","0.1341","0.1784","","","","","","0.93","","","","has coordinates","267429","2021-07-09","09:29:29",""
"1564089","17.144","0.004","6.2142","0.0015","19.301","0.005","90","","101.726","0.004","90","","2013.3","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H10 F8 N2 O2 -","- C22 H10 F8 N2 O2 -","- C88 H40 F32 N8 O8 -","4","0.5","","Han, Jing; Ye, Na; Zhang, Xu; Yu, Zhong; Wang, Jun; Zhang, Yongdi; Wan, Yi","Ligand-controlled self-assembly of Ag(I) complexes with cyano-containing ligands and their tunable antimicrobial activities","Inorganica Chimica Acta","2020","512","","119873","","10.1016/j.ica.2020.119873","","","0.71073","MoKα","","0.0463","0.036","","","0.0956","0.1033","","","","","","1.322","","","","has coordinates","267430","2021-07-09","09:31:03",""
"1564090","13.6336","0.0004","19.7591","0.0007","26.8567","0.0011","90","","90","","90","","7234.9","0.4","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H39 N O5.5 P3 -","- C39 H38 N O5.5 P3 -","- C312 H304 N8 O44 P24 -","8","1","","Page, Samuel J.; Rogers-Simmonds, Daisy; White, Andrew J.P.; Miller, Philip W.","Synthesis and crystallographic characterisation of a homologous series of bis-tridentate phosphine oxide NP3O3 Fe(II), Co(II), Ni(II) and Cu(II) complexes","Inorganica Chimica Acta","2020","512","","119870","","10.1016/j.ica.2020.119870","","","0.71073","MoKα","","0.0811","0.0555","","","0.1363","0.1514","","","","","","1.073","","","","has coordinates,has disorder","267431","2021-07-09","09:38:33",""
"1564091","20.8796","0.0007","18.2086","0.0006","28.8297","0.0009","90","","90.896","0.003","90","","10959.4","0.6","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C127.5 H115 B2 Cl3 Fe N2 O6 P6 -","- C127.5 H115 B2 Cl3 Fe N2 O6 P6 -","- C510 H460 B8 Cl12 Fe4 N8 O24 P24 -","4","0.5","","Page, Samuel J.; Rogers-Simmonds, Daisy; White, Andrew J.P.; Miller, Philip W.","Synthesis and crystallographic characterisation of a homologous series of bis-tridentate phosphine oxide NP3O3 Fe(II), Co(II), Ni(II) and Cu(II) complexes","Inorganica Chimica Acta","2020","512","","119870","","10.1016/j.ica.2020.119870","","","0.71073","MoKα","","0.1277","0.073","","","0.142","0.17","","","","","","1.042","","","","has coordinates,has disorder","267431","2021-07-09","09:38:34",""
"1564092","13.45476","0.00008","20.00475","0.00014","21.70642","0.00016","90","","96.5856","0.0006","90","","5803.93","0.07","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C134 H124 B2 Co N6 O6 P6 -","- C134 H124 B2 Co N6 O6 P6 -","- C268 H248 B4 Co2 N12 O12 P12 -","2","0.5","","Page, Samuel J.; Rogers-Simmonds, Daisy; White, Andrew J.P.; Miller, Philip W.","Synthesis and crystallographic characterisation of a homologous series of bis-tridentate phosphine oxide NP3O3 Fe(II), Co(II), Ni(II) and Cu(II) complexes","Inorganica Chimica Acta","2020","512","","119870","","10.1016/j.ica.2020.119870","","","1.54184","CuKα","","0.044","0.0347","","","0.0851","0.0901","","","","","","1.038","","","","has coordinates","267431","2021-07-09","09:38:34",""
"1564093","13.47027","0.00012","19.966","0.0002","21.70578","0.00019","90","","96.6359","0.0008","90","","5798.6","0.09","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C134 H124 B2 N6 Ni O6 P6 -","- C134 H124 B2 N6 Ni O6 P6 -","- C268 H248 B4 N12 Ni2 O12 P12 -","2","0.5","","Page, Samuel J.; Rogers-Simmonds, Daisy; White, Andrew J.P.; Miller, Philip W.","Synthesis and crystallographic characterisation of a homologous series of bis-tridentate phosphine oxide NP3O3 Fe(II), Co(II), Ni(II) and Cu(II) complexes","Inorganica Chimica Acta","2020","512","","119870","","10.1016/j.ica.2020.119870","","","1.54184","CuKα","","0.0513","0.0372","","","0.0889","0.0987","","","","","","1.01","","","","has coordinates","267431","2021-07-09","09:38:35",""
"1564094","12.3925","0.0009","13.0398","0.001","13.8009","0.001","72.638","0.007","89.866","0.006","79.572","0.006","2090.2","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C86 H84 B2 Cu F8 N6 O6 P6 -","- C86 H84 B2 Cu F8 N6 O6 P6 -","- C86 H84 B2 Cu F8 N6 O6 P6 -","1","0.5","","Page, Samuel J.; Rogers-Simmonds, Daisy; White, Andrew J.P.; Miller, Philip W.","Synthesis and crystallographic characterisation of a homologous series of bis-tridentate phosphine oxide NP3O3 Fe(II), Co(II), Ni(II) and Cu(II) complexes","Inorganica Chimica Acta","2020","512","","119870","","10.1016/j.ica.2020.119870","","","1.54184","CuKα","","0.1051","0.0676","","","0.1638","0.2031","","","","","","0.986","","","","has coordinates,has disorder","267431","2021-07-09","09:38:35",""
"1564095","11.7685","0.0006","38.622","0.002","12.0399","0.0006","90","","90.98","0.003","90","","5471.6","0.5","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C61 H44 As2 Cl N3 O Ru S -","- C61 H44 As2 Cl N3 O Ru S -","- C244 H176 As8 Cl4 N12 O4 Ru4 S4 -","4","1","","Murugan, Kaliyappan; Vijayapritha, Subbarayan; Viswanathamurthi, Periasamy; Saravanan, Kandasamy; Vijayan, Paranthaman; Ojwach, Stephen O.","Ru(II) complexes containing (2-(pyren-1-ylmethylene)hydrazinyl)benzothiazole: Synthesis, solid-state structure, computational study and catalysis in N-alkylation reactions","Inorganica Chimica Acta","2020","512","","119864","","10.1016/j.ica.2020.119864","","","0.71073","MoKα","","0.1849","0.1103","","","0.2706","0.3109","","","","","","1.109","","","","has coordinates","267432","2021-07-09","09:42:03",""
"1564096","10.6204","0.001","13.8955","0.0012","17.3879","0.0016","96.369","0.004","104.386","0.004","96.658","0.004","2442.6","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H45 N3 O P2 Ru S -","- C61 H45 N3 O P2 Ru S -","- C122 H90 N6 O2 P4 Ru2 S2 -","2","1","","Murugan, Kaliyappan; Vijayapritha, Subbarayan; Viswanathamurthi, Periasamy; Saravanan, Kandasamy; Vijayan, Paranthaman; Ojwach, Stephen O.","Ru(II) complexes containing (2-(pyren-1-ylmethylene)hydrazinyl)benzothiazole: Synthesis, solid-state structure, computational study and catalysis in N-alkylation reactions","Inorganica Chimica Acta","2020","512","","119864","","10.1016/j.ica.2020.119864","","","0.71073","MoKα","","0.1253","0.0852","","","0.2693","0.3009","","","","","","1.081","","","","has coordinates","267433","2021-07-09","09:43:03",""
"1564097","19.6427","0.0008","11.8972","0.0005","15.2443","0.0008","90","","90","","90","","3562.5","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H20 N2 Ni O5 -","- C18 H20 N2 Ni O5 -","- C144 H160 N16 Ni8 O40 -","8","1","","Vráblová, Anna; Tomás, Milagros; Titiš, Ján; Černák, Juraj; Falvello, Larry R.","On new solvatomorphs of the metalloligand [Ni(o-van-en)]","Inorganica Chimica Acta","2020","512","","119874","","10.1016/j.ica.2020.119874","","","0.71073","MoKα","","0.0787","0.0478","","","0.1092","0.1288","","","","","","1.022","","","","has coordinates","267434","2021-07-09","09:50:57",""
"1564098","19.6607","0.0006","11.8032","0.0004","15.0266","0.0004","90","","90","","90","","3487.06","0.18","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H20.31 N2 Ni O5.16 -","- C18 H20.312 N2 Ni O5.156 -","- C144 H162.496 N16 Ni8 O41.248 -","8","1","","Vráblová, Anna; Tomás, Milagros; Titiš, Ján; Černák, Juraj; Falvello, Larry R.","On new solvatomorphs of the metalloligand [Ni(o-van-en)]","Inorganica Chimica Acta","2020","512","","119874","","10.1016/j.ica.2020.119874","","","0.71073","MoKα","","0.0394","0.0331","","","0.084","0.0887","","","","","","1.037","","","","has coordinates","267435","2021-07-09","09:52:03",""
"1564099","7.846","0.0002","11.4533","0.0003","12.2907","0.0003","76.702","0.002","79.967","0.002","70.233","0.002","1005.9","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 N2 Ni O6 -","- C20 H26 N2 Ni O6 -","- C40 H52 N4 Ni2 O12 -","2","1","","Vráblová, Anna; Tomás, Milagros; Titiš, Ján; Černák, Juraj; Falvello, Larry R.","On new solvatomorphs of the metalloligand [Ni(o-van-en)]","Inorganica Chimica Acta","2020","512","","119874","","10.1016/j.ica.2020.119874","","","0.71073","MoKα","","0.0267","0.0242","","","0.0609","0.0625","","","","","","1.038","","","","has coordinates,has disorder","267436","2021-07-09","09:53:01",""
"1564100","14.1325","0.0007","7.4085","0.0004","20.1164","0.0008","90","","93.527","0.004","90","","2102.21","0.18","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 N2 Ni O6 -","- C21 H28 N2 Ni O6 -","- C84 H112 N8 Ni4 O24 -","4","1","","Vráblová, Anna; Tomás, Milagros; Titiš, Ján; Černák, Juraj; Falvello, Larry R.","On new solvatomorphs of the metalloligand [Ni(o-van-en)]","Inorganica Chimica Acta","2020","512","","119874","","10.1016/j.ica.2020.119874","","x-ray","0.71073","MoKα","","0.0739","0.0436","","","0.0826","0.0922","","","","","","1.01","","","","has coordinates","267438","2021-07-09","09:54:20",""
"1564101","17.823","0.011","9.271","0.006","20.329","0.013","90","","114.054","0.01","90","","3067","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 Br2 Cu2 N4 -","- C28 H36 Br2 Cu2 N4 -","- C112 H144 Br8 Cu8 N16 -","4","0.5","","Xu, Chanchan; Li, Yuzhe; Lv, Le; Lin, Fang; Lin, Feng; Zhang, Zhijuan; Luo, Chaoyun; Luo, Dawei; Liu, Wei","Synthesis, characterization, luminescence properties of copper(I) bromide based coordination compounds","Inorganica Chimica Acta","2020","512","","119893","","10.1016/j.ica.2020.119893","","","0.71073","MoKα","","0.0908","0.0423","","","0.0868","0.1063","","","","","","0.897","","","","has coordinates","267439","2021-07-09","10:00:31",""
"1564102","16.1765","0.0016","8.3154","0.0008","21.382","0.002","90","","90","","90","","2876.2","0.5","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8 H6 Br4 Cu2 N4 -","- C8 H6 Br4 Cu2 N4 -","- C64 H48 Br32 Cu16 N32 -","8","1","","Xu, Chanchan; Li, Yuzhe; Lv, Le; Lin, Fang; Lin, Feng; Zhang, Zhijuan; Luo, Chaoyun; Luo, Dawei; Liu, Wei","Synthesis, characterization, luminescence properties of copper(I) bromide based coordination compounds","Inorganica Chimica Acta","2020","512","","119893","","10.1016/j.ica.2020.119893","","","0.71073","MoKα","","0.053","0.0351","","","0.0809","0.0886","","","","","","1.017","","","","has coordinates","267439","2021-07-09","10:00:32",""
"1564103","8.6212","0.0004","10.6416","0.0005","20.3192","0.0009","90","","90","","90","","1864.15","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl2 Mn N4 O -","- C17 H16 Cl2 Mn N4 O -","- C68 H64 Cl8 Mn4 N16 O4 -","4","1","","Tyagi, Nidhi; Singh, Ovender; Mishra, Rakesh K.; Ghosh, Kaushik","Bio-macromolecular interaction studies: Synthesis, crystal structure of water-soluble manganese(II) complexes","Inorganica Chimica Acta","2020","512","","119882","","10.1016/j.ica.2020.119882","","","0.71073","MoKα","","0.0838","0.0599","","","0.1473","0.1672","","","","","","1.045","","","","has coordinates","267440","2021-07-09","10:04:04",""
"1564111","11.6372","0.0011","17.92","0.0015","13.9861","0.0013","90","","123.001","0.006","90","","2446.1","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 Cd N18 O10 -","- C42 H52 Cd N18 O10 -","- C84 H104 Cd2 N36 O20 -","2","0.5","","Liu, Daofu; Zhu, Qiyong; Wen, Guilin; Zhou, Weiwei; Wang, Xiaoling; Liang, Xian; Rong, Jiewei; Shao, Jiantao","Assembly of a Cd(II)-organic framework based on 1,3,5-Tri(1H-imidazol-1-yl)benzene: Synthesis, crystal structure, and luminescent sensing property","Inorganica Chimica Acta","2020","512","","119891","","10.1016/j.ica.2020.119891","","","0.71073","MoKα","","0.0724","0.043","","","0.0946","0.1069","","","","","","1.026","","","","has coordinates","267487","2021-07-13","07:16:53",""
"1564112","14.1963","0.0009","13.9701","0.0009","25.9354","0.0018","90","","90","","90","","5143.6","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H42 B6 O2 Ru2 -","- C20 H42 B6 O2 Ru2 -","- C160 H336 B48 O16 Ru16 -","8","1","","Prakash, Rini; Nanda Pradhan, Alaka; Ghosh, Sundargopal","Chemistry of bimetallic hexaborane(10) analogues: A combined experimental and theoretical study","Inorganica Chimica Acta","2020","512","","119898","","10.1016/j.ica.2020.119898","","","0.71073","MoKα","","0.0971","0.078","","","0.1151","0.1209","","","","","","1.225","","","","has coordinates","267488","2021-07-13","07:22:17",""
"1564113","6.9948","0.0003","12.8459","0.0006","19.5395","0.0009","90","","90","","90","","1755.71","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 B4 Mn2 O7 -","- C10 H16 B4 Mn2 O7 -","- C40 H64 B16 Mn8 O28 -","4","1","","Prakash, Rini; Nanda Pradhan, Alaka; Ghosh, Sundargopal","Chemistry of bimetallic hexaborane(10) analogues: A combined experimental and theoretical study","Inorganica Chimica Acta","2020","512","","119898","","10.1016/j.ica.2020.119898","","","0.71073","MoKα","","0.0679","0.0397","","","0.0674","0.0781","","","","","","1.012","","","","has coordinates","267488","2021-07-13","07:22:17",""
"1564114","19.2945","0.0005","6.0859","0.0002","37.7878","0.0009","90","","98.136","0.002","90","","4392.5","0.2","290.2","0.3","290.2","0.3","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H24 Cl12 Cu2 N4 O18 -","- C28 H24 Cl12 Cu2 N4 O18 -","- C112 H96 Cl48 Cu8 N16 O72 -","4","0.5","","Li, Jun-Xia; Du, Zhong-Xiang; Zhang, Lu-Lu; Liu, Duo-Li; Pan, Qiu-Yue","Doubly mononuclear cocrystal and oxalato-bridged binuclear copper compounds containing flexible 2-((3,5,6-trichloropyridin-2-yl)oxy)acetate tectons: Synthesis, crystal analysis and magnetic properties","Inorganica Chimica Acta","2020","512","","119890","","10.1016/j.ica.2020.119890","","x-ray","0.71073","MoKα","","0.0516","0.0391","","","0.0762","0.0824","","","","","","1.066","","","","has coordinates","267489","2021-07-13","07:27:28",""
"1564115","7.7129","0.0004","9.8035","0.0005","16.0541","0.0009","94.019","0.004","102.129","0.005","106.347","0.005","1127.97","0.11","291.2","0.2","291.2","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 Cl6 Cu2 N6 O12 -","- C40 H34 Cl6 Cu2 N6 O12 -","- C40 H34 Cl6 Cu2 N6 O12 -","1","0.5","","Li, Jun-Xia; Du, Zhong-Xiang; Zhang, Lu-Lu; Liu, Duo-Li; Pan, Qiu-Yue","Doubly mononuclear cocrystal and oxalato-bridged binuclear copper compounds containing flexible 2-((3,5,6-trichloropyridin-2-yl)oxy)acetate tectons: Synthesis, crystal analysis and magnetic properties","Inorganica Chimica Acta","2020","512","","119890","","10.1016/j.ica.2020.119890","","x-ray","0.71073","MoKα","","0.078","0.0499","","","0.0785","0.0872","","","","","","1.035","","","","has coordinates","267489","2021-07-13","07:27:33",""
"1564116","30.847","0.003","12.3745","0.0011","32.761","0.003","90","","104.489","0.002","90","","12107.7","1.9","153","","153","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C51 H57 Br4 Cl2 Dy N6 O19 Zn2 -","- C51 H57 Br4 Cl2 Dy N6 O19 Zn2 -","- C408 H456 Br32 Cl16 Dy8 N48 O152 Zn16 -","8","1","","Xu, Jianhua; Xia, Xinzhao; Zhang, Geng; Wu, Huilu; Qu, Yao; Xia, Lixian; Han, Xintong","Two heteronuclear ZnII/CdII-DyIII complexes based on open-chain ether schiff base ligand: Synthesis, structures, fluorescence and antioxidation activity","Inorganica Chimica Acta","2020","512","","119918","","10.1016/j.ica.2020.119918","","","0.71073","MoKα","","0.0812","0.0551","","","0.1559","0.171","","","","","","1.039","","","","has coordinates","267491","2021-07-13","08:49:29",""
"1564117","15.794","0.009","14.886","0.008","19.153","0.01","90","","92.091","0.01","90","","4500","4","153","","153","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 Br2 Cd Cl6 Dy N4 O13 -","- C32 H37 Br2 Cd Cl6 Dy N4 O13 -","- C128 H148 Br8 Cd4 Cl24 Dy4 N16 O52 -","4","1","","Xu, Jianhua; Xia, Xinzhao; Zhang, Geng; Wu, Huilu; Qu, Yao; Xia, Lixian; Han, Xintong","Two heteronuclear ZnII/CdII-DyIII complexes based on open-chain ether schiff base ligand: Synthesis, structures, fluorescence and antioxidation activity","Inorganica Chimica Acta","2020","512","","119918","","10.1016/j.ica.2020.119918","","","0.71073","MoKα","","0.1162","0.0653","","","0.0991","0.1145","","","","","","1.03","","","","has coordinates","267492","2021-07-13","08:51:00",""
"1564118","14.8599","0.001","8.3714","0.0006","26.305","0.002","90","","98.725","0.003","90","","3234.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Hg3 N12 S6 -","- C20 H26 Hg3 N12 S6 -","- C80 H104 Hg12 N48 S24 -","4","1","","Adhikari, Suman; Bhattacharjee, Tirtha; Nath, Priyatosh; Das, Arijit; Jasinski, Jerry P.; Butcher, Raymond J.; Maiti, Debasish","Bimetallic and trimetallic Cd(II) and Hg(II) mixed-ligand complexes with 1,1-dicyanoethylene-2,2-dithiolate and polyamines: Synthesis, crystal structure, Hirshfeld surface analysis, and antimicrobial study","Inorganica Chimica Acta","2020","512","","119877","","10.1016/j.ica.2020.119877","","","0.71073","MoKα","","0.0905","0.0751","","","0.1198","0.1249","","","","","","1.196","","","","has coordinates","267493","2021-07-13","09:11:02",""
"1564119","10.9071","0.0012","8.8713","0.0008","12.1692","0.0011","90","","110.285","0.011","90","","1104.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Cd2 N8 S4 -","- C14 H20 Cd2 N8 S4 -","- C28 H40 Cd4 N16 S8 -","2","0.5","","Adhikari, Suman; Bhattacharjee, Tirtha; Nath, Priyatosh; Das, Arijit; Jasinski, Jerry P.; Butcher, Raymond J.; Maiti, Debasish","Bimetallic and trimetallic Cd(II) and Hg(II) mixed-ligand complexes with 1,1-dicyanoethylene-2,2-dithiolate and polyamines: Synthesis, crystal structure, Hirshfeld surface analysis, and antimicrobial study","Inorganica Chimica Acta","2020","512","","119877","","10.1016/j.ica.2020.119877","","","0.71073","MoKα","","0.0811","0.0565","","","0.1332","0.1617","","","","","","1.121","","","","has coordinates","267493","2021-07-13","09:11:06",""
"1564120","22.2258","0.0015","13.9795","0.0009","23.028","0.002","90","","118.095","0.001","90","","6311.8","0.8","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H41 Co N2 O18.5 -","- C24 H41 Co N2 O18.5 -","- C192 H328 Co8 N16 O148 -","8","1","","Li, Jing; Liu, Jinjian; Lu, Wenbo","Photochromism and hydrochromism of three complexes based on a new viologen 1-(4-carboxybutyl)-4,4′-bipyridinium ligand","Inorganica Chimica Acta","2020","512","","119921","","10.1016/j.ica.2020.119921","","","0.71073","MoKα","","0.0662","0.0609","","","0.1822","0.1873","","","","","","1.023","","","","has coordinates","267494","2021-07-13","09:17:53",""
"1564121","22.1546","0.0015","13.9895","0.0009","22.906","0.002","90","","117.905","0.002","90","","6273.8","0.8","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H41 N2 Ni O18.5 -","- C24 H41 N2 Ni O18.5 -","- C192 H328 N16 Ni8 O148 -","8","1","","Li, Jing; Liu, Jinjian; Lu, Wenbo","Photochromism and hydrochromism of three complexes based on a new viologen 1-(4-carboxybutyl)-4,4′-bipyridinium ligand","Inorganica Chimica Acta","2020","512","","119921","","10.1016/j.ica.2020.119921","","","0.71073","MoKα","","0.0699","0.0632","","","0.1871","0.1941","","","","","","1.031","","","","has coordinates","267494","2021-07-13","09:17:54",""
"1564122","8.3553","0.0004","10.2916","0.0006","18.607","0.0012","84.655","0.005","87.829","0.004","71.917","0.005","1514.3","0.16","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 N2 O17 Zn -","- C25 H32 N2 O17 Zn -","- C50 H64 N4 O34 Zn2 -","2","1","","Li, Jing; Liu, Jinjian; Lu, Wenbo","Photochromism and hydrochromism of three complexes based on a new viologen 1-(4-carboxybutyl)-4,4′-bipyridinium ligand","Inorganica Chimica Acta","2020","512","","119921","","10.1016/j.ica.2020.119921","","x-ray","1.54184","CuKα","","0.0546","0.0458","","","0.1269","0.1344","","","","","","1.055","","","","has coordinates","267494","2021-07-13","09:17:54",""
"1564123","7.9428","0.0008","11.1381","0.001","11.4481","0.0007","64.468","0.007","75.279","0.006","89.349","0.007","878.28","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 N8 O6 Sn2 -","- C32 H40 N8 O6 Sn2 -","- C32 H40 N8 O6 Sn2 -","1","0.5","","Basu Baul, Tushar S.; Addepalli, Maheswara Rao; Lyčka, Antonin; van Terwingen, Steven; Fátima C. Guedes da Silva, M.","Synthesis and structural characterization of diorganotin(IV) complexes with heteroditopic pyridyl-ONO′-ligands","Inorganica Chimica Acta","2020","512","","119892","","10.1016/j.ica.2020.119892","","x-ray","0.71073","MoKα","","0.0447","0.0373","","","0.0899","0.099","","","","","","1.072","","","","has coordinates,has disorder","267495","2021-07-13","09:24:14",""
"1564124","10.9058","0.0003","17.7727","0.0004","11.8279","0.0003","90","","108.35","0.001","90","","2175.98","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 N8 O4 Sn2 -","- C44 H60 N8 O4 Sn2 -","- C88 H120 N16 O8 Sn4 -","2","0.5","","Basu Baul, Tushar S.; Addepalli, Maheswara Rao; Lyčka, Antonin; van Terwingen, Steven; Fátima C. Guedes da Silva, M.","Synthesis and structural characterization of diorganotin(IV) complexes with heteroditopic pyridyl-ONO′-ligands","Inorganica Chimica Acta","2020","512","","119892","","10.1016/j.ica.2020.119892","","","0.71073","MoKα","","0.0368","0.0284","","","0.0674","0.07","","","","","","1.061","","","","has coordinates","267496","2021-07-13","09:27:19",""
"1564125","9.7287","0.0004","10.4757","0.0005","12.0768","0.0004","69.493","0.004","85.518","0.003","84.733","0.003","1146.55","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N4 O2 Sn -","- C26 H22 N4 O2 Sn -","- C52 H44 N8 O4 Sn2 -","2","1","","Basu Baul, Tushar S.; Addepalli, Maheswara Rao; Lyčka, Antonin; van Terwingen, Steven; Fátima C. Guedes da Silva, M.","Synthesis and structural characterization of diorganotin(IV) complexes with heteroditopic pyridyl-ONO′-ligands","Inorganica Chimica Acta","2020","512","","119892","","10.1016/j.ica.2020.119892","","","0.71073","MoKα","","0.0447","0.036","","","0.0789","0.0844","","","","","","1.048","","","","has coordinates","267497","2021-07-13","09:28:43",""
"1564126","7.6518","0.0004","11.7797","0.0007","19.1615","0.0012","103.914","0.005","92.098","0.006","92.52","0.005","1672.86","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H80 N16 O8 Sn2 -","- C68 H80 N16 O8 Sn2 -","- C68 H80 N16 O8 Sn2 -","1","0.5","","Basu Baul, Tushar S.; Addepalli, Maheswara Rao; Lyčka, Antonin; van Terwingen, Steven; Fátima C. Guedes da Silva, M.","Synthesis and structural characterization of diorganotin(IV) complexes with heteroditopic pyridyl-ONO′-ligands","Inorganica Chimica Acta","2020","512","","119892","","10.1016/j.ica.2020.119892","","","0.71073","MoKα","","0.07","0.0491","","","0.1085","0.1202","","","","","","1.035","","","","has coordinates,has disorder","267498","2021-07-13","09:29:43",""
"1564127","9.834","0.003","11.509","0.003","12.396","0.003","104.527","0.004","108.128","0.004","101.653","0.004","1229.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H68 N8 O4 Sn2 -","- C48 H68 N8 O4 Sn2 -","- C48 H68 N8 O4 Sn2 -","1","0.5","","Basu Baul, Tushar S.; Addepalli, Maheswara Rao; Lyčka, Antonin; van Terwingen, Steven; Fátima C. Guedes da Silva, M.","Synthesis and structural characterization of diorganotin(IV) complexes with heteroditopic pyridyl-ONO′-ligands","Inorganica Chimica Acta","2020","512","","119892","","10.1016/j.ica.2020.119892","","","0.71073","MoKα","","0.0466","0.0362","","","0.0844","0.0877","","","","","","1.058","","","","has coordinates","267499","2021-07-13","09:31:14",""
"1564128","21.1699","0.0006","12.8679","0.0003","21.5199","0.0007","90","","110.641","0.003","90","","5486","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H55 N8 O4 Sn2 -","- C59 H55 N8 O4 Sn2 -","- C236 H220 N32 O16 Sn8 -","4","1","","Basu Baul, Tushar S.; Addepalli, Maheswara Rao; Lyčka, Antonin; van Terwingen, Steven; Fátima C. Guedes da Silva, M.","Synthesis and structural characterization of diorganotin(IV) complexes with heteroditopic pyridyl-ONO′-ligands","Inorganica Chimica Acta","2020","512","","119892","","10.1016/j.ica.2020.119892","","","0.71073","MoKα","","0.0627","0.0385","","","0.0839","0.0947","","","","","","1.004","","","","has coordinates,has disorder","267500","2021-07-13","09:32:59",""
"1564129","17.9878","0.0006","13.0353","0.0004","8.2291","0.0004","90","","100.304","0.004","90","","1898.41","0.13","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N4 O2 Sn -","- C20 H18 N4 O2 Sn -","- C80 H72 N16 O8 Sn4 -","4","1","","Basu Baul, Tushar S.; Addepalli, Maheswara Rao; Lyčka, Antonin; van Terwingen, Steven; Fátima C. Guedes da Silva, M.","Synthesis and structural characterization of diorganotin(IV) complexes with heteroditopic pyridyl-ONO′-ligands","Inorganica Chimica Acta","2020","512","","119892","","10.1016/j.ica.2020.119892","","","0.71073","MoKα","","0.0395","0.0262","","","0.0631","0.0707","","","","","","1.05","","","","has coordinates","267501","2021-07-13","09:34:09",""
"1564130","9.2625","0.0002","11.1335","0.0003","13.2333","0.0003","65.6394","0.0009","76.6248","0.0008","79.6912","0.0009","1204.07","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 N4 O2 Sn -","- C26 H30 N4 O2 Sn -","- C52 H60 N8 O4 Sn2 -","2","1","","Basu Baul, Tushar S.; Addepalli, Maheswara Rao; Lyčka, Antonin; van Terwingen, Steven; Fátima C. Guedes da Silva, M.","Synthesis and structural characterization of diorganotin(IV) complexes with heteroditopic pyridyl-ONO′-ligands","Inorganica Chimica Acta","2020","512","","119892","","10.1016/j.ica.2020.119892","","","0.71073","MoKα","","0.0342","0.0281","","","0.0695","0.0712","","","","","","1.019","","","","has coordinates","267502","2021-07-13","09:35:31",""
"1564131","12.3732","0.0005","8.3763","0.0003","13.0947","0.0006","90","","99.778","0.004","90","","1337.44","0.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C56 H56 N16 O8 -","4","1","","Basu Baul, Tushar S.; Addepalli, Maheswara Rao; Lyčka, Antonin; van Terwingen, Steven; Fátima C. Guedes da Silva, M.","Synthesis and structural characterization of diorganotin(IV) complexes with heteroditopic pyridyl-ONO′-ligands","Inorganica Chimica Acta","2020","512","","119892","","10.1016/j.ica.2020.119892","","","0.71073","MoKα","","0.0624","0.0495","","","0.1341","0.146","","","","","","1.035","","","","has coordinates","267503","2021-07-13","09:36:43",""
"1564132","3.7418","0.0002","15.0487","0.001","10.7259","0.0007","90","","95.551","0.002","90","","601.13","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl Co N -","- C6 H5 Cl Co N -","- C24 H20 Cl4 Co4 N4 -","4","1","","Saleh, Hatem A.M.; Mantasha, I.; Qasem, Khalil M.A.; Shahid, M.; Akhtar, Muhammad Nadeem; AlDamen, Murad A.; Ahmad, Musheer","A two dimensional Co(II) metal‒organic framework with bey topology for excellent dye adsorption and separation: Exploring kinetics and mechanism of adsorption","Inorganica Chimica Acta","2020","512","","119900","","10.1016/j.ica.2020.119900","","","0.71073","MoKα","","0.0314","0.0293","","","0.0728","0.0744","","","","","","1.0523","","","","has coordinates","267504","2021-07-13","09:41:14",""
"1564133","9.0574","0.0004","14.7045","0.0007","12.2035","0.0006","90","","98.495","0.001","90","","1607.49","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cd N2 O11 -","- C14 H14 Cd N2 O11 -","- C56 H56 Cd4 N8 O44 -","4","1","","Kamal, Samrah; Khalid, Mohd; Shahnawaz Khan, M.; Shahid, M.; Ashafaq, Mo.; I., Mantasha; Shahwaz Ahmad, M.; Ahmad, Musheer; Faizan, Mohd; Ahmad, Shabbir","Synthesis, characterization and DFT studies of water stable Cd(II) metal‒organic clusters with better adsorption property towards the organic pollutant in waste water","Inorganica Chimica Acta","2020","512","","119872","","10.1016/j.ica.2020.119872","","","0.71073","MoKα","","0.0275","0.0242","","","0.0482","0.0497","","","","","","1.0818","","","","has coordinates","267505","2021-07-13","09:48:12",""
"1564134","8.7148","0.0003","10.8555","0.0003","12.0902","0.0004","70.224","0.001","80.437","0.001","70.204","0.001","1011","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 Cd4 Cl2 N4 O26 -","- C28 H34 Cd4 Cl2 N4 O26 -","- C28 H34 Cd4 Cl2 N4 O26 -","1","0.5","","Kamal, Samrah; Khalid, Mohd; Shahnawaz Khan, M.; Shahid, M.; Ashafaq, Mo.; I., Mantasha; Shahwaz Ahmad, M.; Ahmad, Musheer; Faizan, Mohd; Ahmad, Shabbir","Synthesis, characterization and DFT studies of water stable Cd(II) metal‒organic clusters with better adsorption property towards the organic pollutant in waste water","Inorganica Chimica Acta","2020","512","","119872","","10.1016/j.ica.2020.119872","","","0.71073","MoKα","","0.0477","0.0388","","","0.0928","0.0983","","","","","","1.1","","","","has coordinates","267505","2021-07-13","09:48:25",""
"1564135","12.2867","0.0004","20.5946","0.0007","18.8494","0.0006","90","","91.844","0.002","90","","4767.2","0.3","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C55 H42 As2 Cl N3 O2 Ru S -","- C55 H42 As2 Cl N3 O2 Ru S -","- C220 H168 As8 Cl4 N12 O8 Ru4 S4 -","4","1","","Vijayapritha, Subbarayan; Murugan, Kaliyappan; Viswanathamurthi, Periasamy; Vijayan, Paranthaman; Kalaiarasi, Chinnasamy","Synthesis and structural characterization of facile ruthenium(II) hydrazone complexes: Efficient catalysts in α-alkylation of ketones with primary alcohols via hydrogen auto transfer","Inorganica Chimica Acta","2020","512","","119887","","10.1016/j.ica.2020.119887","","","0.71073","MoKα","","0.0748","0.0446","","","0.1191","0.1615","","","","","","0.824","","","","has coordinates","267506","2021-07-13","09:53:14",""
"1564136","11.8308","0.0002","25.8399","0.0005","15.0943","0.0003","90","","108.415","0.001","90","","4378.14","0.14","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H39 As2 N3 O2 Ru S -","- C51 H39 As2 N3 O2 Ru S -","- C204 H156 As8 N12 O8 Ru4 S4 -","4","1","","Vijayapritha, Subbarayan; Murugan, Kaliyappan; Viswanathamurthi, Periasamy; Vijayan, Paranthaman; Kalaiarasi, Chinnasamy","Synthesis and structural characterization of facile ruthenium(II) hydrazone complexes: Efficient catalysts in α-alkylation of ketones with primary alcohols via hydrogen auto transfer","Inorganica Chimica Acta","2020","512","","119887","","10.1016/j.ica.2020.119887","","","0.71073","MoKα","","0.0448","0.0293","","","0.0649","0.07","","","","","","1.028","","","","has coordinates","267506","2021-07-13","09:53:14",""
"1564137","9.417","0.003","15.135","0.005","18.573","0.006","86.467","0.003","80.733","0.004","75.85","0.003","2532.6","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H54 O36 P2 Pt18 -","- C84 H54 O36 P2 Pt18 -","- C84 H54 O36 P2 Pt18 -","1","0.5","","Berti, Beatrice; Bortoluzzi, Marco; Ceriotti, Alessandro; Cesari, Cristiana; Femoni, Cristina; Carmela Iapalucci, Maria; Zacchini, Stefano","Further insights into platinum carbonyl Chini clusters","Inorganica Chimica Acta","2020","512","","119904","","10.1016/j.ica.2020.119904","","","0.71073","MoKα","","0.1331","0.063","","","0.1473","0.1727","","","","","","1.002","","","","has coordinates","267507","2021-07-13","10:04:22",""
"1564138","16.19","0.002","25.344","0.004","20.94","0.004","90","","103.531","0.003","90","","8354","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H42 O30 P2 Pt15 -","- C72 H42 O30 P2 Pt15 -","- C288 H168 O120 P8 Pt60 -","4","0.5","","Berti, Beatrice; Bortoluzzi, Marco; Ceriotti, Alessandro; Cesari, Cristiana; Femoni, Cristina; Carmela Iapalucci, Maria; Zacchini, Stefano","Further insights into platinum carbonyl Chini clusters","Inorganica Chimica Acta","2020","512","","119904","","10.1016/j.ica.2020.119904","","","0.71073","MoKα","","0.1527","0.0962","","","0.2495","0.293","","","","","","1.034","","","","has coordinates","267508","2021-07-13","10:06:02",""
"1564139","20.523","0.008","24.368","0.009","14.148","0.005","90","","113.692","0.004","90","","6479","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H45 N5 O19 Pt9 -","- C53 H45 N5 O19 Pt9 -","- C212 H180 N20 O76 Pt36 -","4","0.5","","Berti, Beatrice; Bortoluzzi, Marco; Ceriotti, Alessandro; Cesari, Cristiana; Femoni, Cristina; Carmela Iapalucci, Maria; Zacchini, Stefano","Further insights into platinum carbonyl Chini clusters","Inorganica Chimica Acta","2020","512","","119904","","10.1016/j.ica.2020.119904","","","0.71073","MoKα","","0.1628","0.0616","","","0.1388","0.1831","","","","","","0.998","","","","has coordinates,has disorder","267509","2021-07-13","10:07:31",""
"1564140","15.2489","0.0018","12.6172","0.0015","20.066","0.003","90","","102.271","0.004","90","","3772.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H76 Cl4 O2 P6 Pt2 -","- C82 H76 Cl4 O2 P6 Pt2 -","- C164 H152 Cl8 O4 P12 Pt4 -","2","0.5","","Berti, Beatrice; Bortoluzzi, Marco; Ceriotti, Alessandro; Cesari, Cristiana; Femoni, Cristina; Carmela Iapalucci, Maria; Zacchini, Stefano","Further insights into platinum carbonyl Chini clusters","Inorganica Chimica Acta","2020","512","","119904","","10.1016/j.ica.2020.119904","","","0.71073","MoKα","","0.0643","0.0551","","","0.1189","0.123","","","","","","1.166","","","","has coordinates","267510","2021-07-13","10:08:57",""
"1564141","22.6369","0.0017","14.3468","0.001","28.33","0.002","90","","98.264","0.003","90","","9105.1","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C104 H106 N10 Pt5 -","- C104 H106 N10 Pt5 -","- C416 H424 N40 Pt20 -","4","1","","Berti, Beatrice; Bortoluzzi, Marco; Ceriotti, Alessandro; Cesari, Cristiana; Femoni, Cristina; Carmela Iapalucci, Maria; Zacchini, Stefano","Further insights into platinum carbonyl Chini clusters","Inorganica Chimica Acta","2020","512","","119904","","10.1016/j.ica.2020.119904","","","0.71073","MoKα","","0.0678","0.061","","","0.1394","0.144","","","","","","1.24","","","","has coordinates","267511","2021-07-13","10:09:55",""
"1564142","14.907","0.003","15.808","0.003","27.254","0.005","101.111","0.006","92.914","0.006","117.372","0.005","5524.3","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C118 H117 N13 O Pt9 -","- C118 H117 N13 O Pt9 -","- C236 H234 N26 O2 Pt18 -","2","1","","Berti, Beatrice; Bortoluzzi, Marco; Ceriotti, Alessandro; Cesari, Cristiana; Femoni, Cristina; Carmela Iapalucci, Maria; Zacchini, Stefano","Further insights into platinum carbonyl Chini clusters","Inorganica Chimica Acta","2020","512","","119904","","10.1016/j.ica.2020.119904","","","0.71073","MoKα","","0.1949","0.1534","","","0.3457","0.3708","","","","","","1.265","","","","has coordinates,has disorder","267512","2021-07-13","10:10:57",""
"1564143","15.5558","0.0014","20.2991","0.0018","27.299","0.003","90","","106.16","0.002","90","","8279.6","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H68 N4 O22 P2 Pt12 -","- C72 H68 N4 O22 P2 Pt12 -","- C288 H272 N16 O88 P8 Pt48 -","4","0.5","","Berti, Beatrice; Bortoluzzi, Marco; Ceriotti, Alessandro; Cesari, Cristiana; Femoni, Cristina; Carmela Iapalucci, Maria; Zacchini, Stefano","Further insights into platinum carbonyl Chini clusters","Inorganica Chimica Acta","2020","512","","119904","","10.1016/j.ica.2020.119904","","","0.71073","MoKα","","0.1068","0.0806","","","0.1842","0.2004","","","","","","1.163","","","","has coordinates,has disorder","267513","2021-07-13","10:12:40",""
"1564144","12.7967","0.0005","13.1827","0.0005","16.4819","0.0006","94.465","0.002","99.793","0.002","109.048","0.002","2563.2","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H45 N3 O18 Pt9 -","- C39 H45 N3 O18 Pt9 -","- C78 H90 N6 O36 Pt18 -","2","1","","Berti, Beatrice; Bortoluzzi, Marco; Ceriotti, Alessandro; Cesari, Cristiana; Femoni, Cristina; Carmela Iapalucci, Maria; Zacchini, Stefano","Further insights into platinum carbonyl Chini clusters","Inorganica Chimica Acta","2020","512","","119904","","10.1016/j.ica.2020.119904","","","0.71073","MoKα","","0.0483","0.0431","","","0.1157","0.1191","","","","","","1.11","","","","has coordinates,has disorder","267514","2021-07-13","10:13:50",""
"1564149","8.54575","0.00008","13.85892","0.00012","18.16386","0.00014","90","","90","","90","","2151.23","0.03","149.7","0.4","149.7","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O2 S -","- C24 H26 N2 O2 S -","- C96 H104 N8 O8 S4 -","4","1","","Zhao, Hongyan; Zhang, Shaohui; Fang, Xiaojun; Chen, Liang; Ren, Wenshan","Synthesis, structure and catalytic activity of organozinc complexes derived from chiral sulfonylamidoazetidines","Inorganica Chimica Acta","2020","511","","119767","","10.1016/j.ica.2020.119767","","x-ray","1.54184","CuKα","","0.027","0.0267","","","0.0706","0.0708","","","","","","1.076","","","","has coordinates","267546","2021-07-15","07:38:12",""
"1564150","9.27344","0.0001","43.5007","0.0005","10.82622","0.00014","90","","90","","90","","4367.31","0.09","290.69","0.1","290.69","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H60 N4 O4 S2 Zn2 -","- C44 H60 N4 O4 S2 Zn2 -","- C176 H240 N16 O16 S8 Zn8 -","4","1","","Zhao, Hongyan; Zhang, Shaohui; Fang, Xiaojun; Chen, Liang; Ren, Wenshan","Synthesis, structure and catalytic activity of organozinc complexes derived from chiral sulfonylamidoazetidines","Inorganica Chimica Acta","2020","511","","119767","","10.1016/j.ica.2020.119767","","x-ray","1.54184","CuKα","","0.037","0.0359","","","0.0806","0.0811","","","","","","1.065","","","","has coordinates","267546","2021-07-15","07:38:13",""
"1564151","11.5916","0.0002","11.5916","0.0002","34.5612","0.0005","90","","90","","120","","4021.67","0.11","290.73","0.1","290.73","0.1","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C52 H60 N4 O4 S2 Zn2 -","- C52 H60 N4 O4 S2 Zn2 -","- C156 H180 N12 O12 S6 Zn6 -","3","0.5","","Zhao, Hongyan; Zhang, Shaohui; Fang, Xiaojun; Chen, Liang; Ren, Wenshan","Synthesis, structure and catalytic activity of organozinc complexes derived from chiral sulfonylamidoazetidines","Inorganica Chimica Acta","2020","511","","119767","","10.1016/j.ica.2020.119767","","x-ray","1.54184","CuKα","","0.0627","0.0548","","","0.1313","0.1368","","","","","","1.026","","","","has coordinates","267546","2021-07-15","07:38:13",""
"1564152","15.2025","0.0012","15.1015","0.0012","20.6849","0.0016","90","","91.158","0.002","90","","4747.9","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H92 Co2 Dy4 N10 O34 -","- C90 H92 Co2 Dy4 N10 O34 -","- C180 H184 Co4 Dy8 N20 O68 -","2","0.5","","Wang, Yingying; Yuan, Zhuangdong; Ren, Hong; Xu, Weiyu; Xu, Jiali; Zhang, Huanzhen; Sha, Jingquan; Zhang, Haifeng","Structures and magnetic properties of two hexanuclear [Co2Ln4]complexes","Inorganica Chimica Acta","2020","511","","119786","","10.1016/j.ica.2020.119786","","","0.71073","MoKα","","0.0399","0.0263","","","0.055","0.0589","","","","","","1.079","","","","has coordinates","267547","2021-07-15","07:42:38",""
"1564153","15.199","0.003","15.165","0.003","20.787","0.004","90","","91.18","0.003","90","","4790.2","1.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H92 Co2 Gd4 N10 O34 -","- C90 H92 Co2 Gd4 N10 O34 -","- C180 H184 Co4 Gd8 N20 O68 -","2","0.5","","Wang, Yingying; Yuan, Zhuangdong; Ren, Hong; Xu, Weiyu; Xu, Jiali; Zhang, Huanzhen; Sha, Jingquan; Zhang, Haifeng","Structures and magnetic properties of two hexanuclear [Co2Ln4]complexes","Inorganica Chimica Acta","2020","511","","119786","","10.1016/j.ica.2020.119786","","","0.71073","MoKα","","0.0716","0.0347","","","0.0678","0.079","","","","","","1.01","","","","has coordinates","267547","2021-07-15","07:42:39",""
"1564154","7.4256","0.0001","10.471","0.0002","10.6081","0.0002","107.92","0.001","103.47","0.001","103.663","0.001","719.73","0.02","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Bi2 Cl10 N4 O2 -","- C12 H24 Bi2 Cl10 N4 O2 -","- C12 H24 Bi2 Cl10 N4 O2 -","1","0.5","","Pandey, Souvik; Pradeep, Prajisha; Venugopal M, Anjali; Aswanth, A.A.; Andrews, Alex P.; Venugopal, Ajay","Incorporation of nitrate ions into halobismuthates","Inorganica Chimica Acta","2020","511","","119754","","10.1016/j.ica.2020.119754","","","0.71073","MoKα","","0.0147","0.0136","","","0.0331","0.0335","","","","","","1.053","","","","has coordinates","267548","2021-07-15","07:49:39",""
"1564155","9.1931","0.0003","11.2082","0.0004","11.2833","0.0004","102.691","0.001","105.527","0.001","103.997","0.001","1035.39","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 Bi2 Br10 N8 -","- C24 H36 Bi2 Br10 N8 -","- C24 H36 Bi2 Br10 N8 -","1","0.5","","Pandey, Souvik; Pradeep, Prajisha; Venugopal M, Anjali; Aswanth, A.A.; Andrews, Alex P.; Venugopal, Ajay","Incorporation of nitrate ions into halobismuthates","Inorganica Chimica Acta","2020","511","","119754","","10.1016/j.ica.2020.119754","","","0.71073","MoKα","","0.0274","0.0197","","","0.0383","0.0399","","","","","","1.02","","","","has coordinates","267548","2021-07-15","07:49:40",""
"1564156","7.4346","0.0001","10.4198","0.0002","10.6765","0.0002","103.796","0.001","107.54","0.001","97.216","0.001","748.25","0.02","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Bi2 Cl8 N6 O8 -","- C12 H24 Bi2 Cl8 N6 O8 -","- C12 H24 Bi2 Cl8 N6 O8 -","1","0.5","","Pandey, Souvik; Pradeep, Prajisha; Venugopal M, Anjali; Aswanth, A.A.; Andrews, Alex P.; Venugopal, Ajay","Incorporation of nitrate ions into halobismuthates","Inorganica Chimica Acta","2020","511","","119754","","10.1016/j.ica.2020.119754","","","0.71073","MoKα","","0.0173","0.0153","","","0.0331","0.0336","","","","","","1.033","","","","has coordinates","267548","2021-07-15","07:49:40",""
"1564157","7.6329","0.0004","10.6904","0.0006","10.9544","0.0006","104.146","0.002","106.595","0.002","98.541","0.002","807.41","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Bi2 Br8 N6 O8 -","- C12 H24 Bi2 Br8 N6 O8 -","- C12 H24 Bi2 Br8 N6 O8 -","1","0.5","","Pandey, Souvik; Pradeep, Prajisha; Venugopal M, Anjali; Aswanth, A.A.; Andrews, Alex P.; Venugopal, Ajay","Incorporation of nitrate ions into halobismuthates","Inorganica Chimica Acta","2020","511","","119754","","10.1016/j.ica.2020.119754","","","0.71073","MoKα","","0.0207","0.0165","","","0.0355","0.0368","","","","","","1.032","","","","has coordinates","267548","2021-07-15","07:49:40",""
"1564158","7.99","0.0016","13.145","0.003","14.698","0.003","90","","99.84","0.03","90","","1521","0.6","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Hg I2 N2 O2 -","- C10 H16 Hg I2 N2 O2 -","- C40 H64 Hg4 I8 N8 O8 -","4","1","","Cho, Minji; Shin, Hye Jin; Kusumahastuti, Dewi K.A.; Yeo, Hyeonuk; Min, Kil Sik","Monomeric and tetrameric mercury(II) complexes with iodo and N2O2/N3O ligands: Structure and blue luminescence","Inorganica Chimica Acta","2020","511","","119789","","10.1016/j.ica.2020.119789","","","0.62998","synchrotron","","0.0411","0.039","","","0.1124","0.1143","","","","","","1.093","","","","has coordinates","267549","2021-07-15","07:59:47",""
"1564159","9.797","0.002","16.4","0.003","16.66","0.003","115.56","0.03","98.51","0.03","102.63","0.03","2265.3","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 Hg4 I8 N6 O2 -","- C28 H34 Hg4 I8 N6 O2 -","- C56 H68 Hg8 I16 N12 O4 -","2","1","","Cho, Minji; Shin, Hye Jin; Kusumahastuti, Dewi K.A.; Yeo, Hyeonuk; Min, Kil Sik","Monomeric and tetrameric mercury(II) complexes with iodo and N2O2/N3O ligands: Structure and blue luminescence","Inorganica Chimica Acta","2020","511","","119789","","10.1016/j.ica.2020.119789","","","0.62","synchrotron","","0.0715","0.0471","","","0.1234","0.139","","","","","","0.977","","","","has coordinates","267549","2021-07-15","07:59:47",""
"1564160","12.2043","0.0003","12.2043","0.0003","76.2069","0.0017","90","","90","","120","","9829.9","0.4","150","2","150","2","","","","","","","","7","P 65","P 65","170","","","","- C64 H52 Cl2 Mo2 N2 O9 P2 -","- C64 H52 Cl2 Mo2 N2 O9 P2 -","- C384 H312 Cl12 Mo12 N12 O54 P12 -","6","1","","Mahmoudi, Hamed; Bagherzadeh, Mojtaba; Ataie, Saeed; Kia, Reza; Heydar Moravej, Seyed; Zare, Maryam; Raithby, Paul R.; Ferlin, Francesco; Vaccaro, Luigi","Synthesis and X-ray crystal structure of a Molybdenum(VI) Schiff base complex: Design of a new catalytic system for sustainable olefin epoxidation","Inorganica Chimica Acta","2020","511","","119775","","10.1016/j.ica.2020.119775","","","1.54184","CuKα","","0.0615","0.051","","","0.1127","0.1174","","","","","","1.029","","","","has coordinates,has disorder","267550","2021-07-15","08:18:35",""
"1564161","19.6604","0.0011","8.7608","0.0003","20.8479","0.0011","90","","100.266","0.004","90","","3533.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Cl2 Fe N4 Pd -","- C36 H40 Cl2 Fe N4 Pd -","- C144 H160 Cl8 Fe4 N16 Pd4 -","4","1","","Yenisarı, Betül; Fırıncı, Rukiye; Özdemir, Namık; Günay, M. Emin","Synthesis of ferrocenyl imidazolium salts and their novel PEPPSI-type N-heterocyclic carbene (NHC) palladium complexes","Inorganica Chimica Acta","2020","511","","119792","","10.1016/j.ica.2020.119792","","","0.71073","MoKα","","0.1663","0.0524","","","0.0637","0.0825","","","","","","0.804","","","","has coordinates","267551","2021-07-15","08:24:25",""
"1564162","7.3883","0.0005","12.1643","0.0008","13.4322","0.0009","63.974","0.005","74.63","0.005","78.015","0.004","1040.15","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Fe N2 S -","- C24 H26 Fe N2 S -","- C48 H52 Fe2 N4 S2 -","2","1","","Yenisarı, Betül; Fırıncı, Rukiye; Özdemir, Namık; Günay, M. Emin","Synthesis of ferrocenyl imidazolium salts and their novel PEPPSI-type N-heterocyclic carbene (NHC) palladium complexes","Inorganica Chimica Acta","2020","511","","119792","","10.1016/j.ica.2020.119792","","","0.71073","MoKα","","0.0685","0.0426","","","0.0887","0.0968","","","","","","1.001","","","","has coordinates","267551","2021-07-15","08:24:43",""
"1564163","12.79","0.002","5.5561","0.0004","18.9792","0.0019","90","","107.963","0.014","90","","1283","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F4 Mn N4 O12 -","- C22 H18 F4 Mn N4 O12 -","- C44 H36 F8 Mn2 N8 O24 -","2","0.5","","Feng, Junyang; Li, Ying; Chen, Wanyao; Meng, Xiangru; Li, Gang","Proton conductive properties of two Mn/Pb complexes constructed by difluorophenyl imidazole dicarboxylate","Inorganica Chimica Acta","2020","511","","119800","","10.1016/j.ica.2020.119800","","","0.71073","MoKα","","0.0653","0.0444","","","0.0983","0.1116","","","","","","1.046","","","","has coordinates","267552","2021-07-15","08:54:32",""
"1564164","9.8173","0.0002","22.1046","0.0005","11.9889","0.0003","90","","102.91","0.002","90","","2535.92","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 F4 N4 O12 Pb -","- C22 H18 F4 N4 O12 Pb -","- C88 H72 F16 N16 O48 Pb4 -","4","1","","Feng, Junyang; Li, Ying; Chen, Wanyao; Meng, Xiangru; Li, Gang","Proton conductive properties of two Mn/Pb complexes constructed by difluorophenyl imidazole dicarboxylate","Inorganica Chimica Acta","2020","511","","119800","","10.1016/j.ica.2020.119800","","","0.71073","MoKα","","0.0495","0.0329","","","0.0523","0.0571","","","","","","1.009","","","","has coordinates","267552","2021-07-15","08:54:32",""
"1564165","16.0083","0.0006","16.0083","0.0006","29.6119","0.0011","90","","90","","90","","7588.5","0.5","120","2","120","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C67 H90 Cl3 Co2 N19 O10 -","- C64 H64 Co2 N19 O2 -","- C256 H256 Co8 N76 O8 -","4","0.25","","Wang, Min-Min; Wang, Chun; Wang, Miao; Wang, Jin; Zhu, Jin-Li; Hu, Lan-Ping; Sun, Tong-Ming; Tang, Yan-Feng","Synthesis and magnetic property of a cobalt complex constructed by a linear Co‒NNN‒Co unit","Inorganica Chimica Acta","2020","511","","119804","","10.1016/j.ica.2020.119804","","","1.54184","CuKα","","0.1262","0.0802","","","0.2172","0.2487","","","","","","1.074","","","","has coordinates","267553","2021-07-15","09:00:36",""
"1564166","8.743","0.0003","10.416","0.0004","12.505","0.0005","71.071","0.004","80.263","0.003","75.858","0.004","1039.54","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 Cd N2 O7 -","- C23 H17 Cd N2 O7 -","- C46 H34 Cd2 N4 O14 -","2","1","","He, Yuan-Chun; Yuan, Zi-Han; Zhang, Jie; Xiao, Li-Yuan; Wang, Yan; Xu, Na","Two 2-fold interpenetrating three-dimensional coordination polymers based on two-fold deprotonated 5-((3-carboxyphenoxy)methyl)benzene-1,3-dioic acid and 1,4-bis((1H-imidazol-1-yl)methyl)benzene: Syntheses, structures and properties","Inorganica Chimica Acta","2020","511","","119802","","10.1016/j.ica.2020.119802","","","0.71069","MoKα","","0.0279","0.0252","","","0.055","0.057","","","","","","1.062","","","","has coordinates","267554","2021-07-15","09:23:51",""
"1564167","8.802","0.0007","10.272","0.0008","12.346","0.0008","71.776","0.006","80.416","0.006","75.497","0.006","1021.75","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 Mn N2 O7 -","- C23 H17 Mn N2 O7 -","- C46 H34 Mn2 N4 O14 -","2","1","","He, Yuan-Chun; Yuan, Zi-Han; Zhang, Jie; Xiao, Li-Yuan; Wang, Yan; Xu, Na","Two 2-fold interpenetrating three-dimensional coordination polymers based on two-fold deprotonated 5-((3-carboxyphenoxy)methyl)benzene-1,3-dioic acid and 1,4-bis((1H-imidazol-1-yl)methyl)benzene: Syntheses, structures and properties","Inorganica Chimica Acta","2020","511","","119802","","10.1016/j.ica.2020.119802","","","0.71069","MoKα","","0.0511","0.0391","","","0.0866","0.0939","","","","","","1.044","","","","has coordinates","267554","2021-07-15","09:23:51",""
"1564168","7.7174","0.0011","11.3008","0.0011","24.068","0.002","90","","97.669","0.005","90","","2080.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cu2 O17 -","- C18 H17 Cu2 O17 -","- C72 H68 Cu8 O68 -","4","0.5","","I., Mantasha; Saleh, Hatem A.M.; Qasem, Khalil M.A.; Shahid, M.; Mehtab, Mohd; Ahmad, Musheer","Efficient and selective adsorption and separation of methylene blue (MB) from mixture of dyes in aqueous environment employing a Cu(II) based metal organic framework","Inorganica Chimica Acta","2020","511","","119787","","10.1016/j.ica.2020.119787","","","0.71073","MoKα","","0.0473","0.0379","","","0.0963","0.106","","","","","","1.0898","","","","has coordinates","267555","2021-07-15","09:28:42",""
"1564169","8.4875","0.0005","10.6929","0.0006","12.8734","0.0008","70.13","0.003","84.944","0.003","78.415","0.003","1076.15","0.11","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C14.5 H17 N4 O6.5 Re S -","- C14.5 H17 N4 O6.5 Re S -","- C29 H34 N8 O13 Re2 S2 -","2","1","","Kyriazopoulos, Achilleas; Alexiou, Aikaterini-Lamprini; Miliotou, Androulla; Papadopoulou, Lefkothea; Hatzidimitriou, Antonios; Papagiannopoulou, Dionysia","Effect of the triphenylphosphonium cation on the biological properties of new rhenium and technetium-99m fac-[M(CO)3(NSN)]±-type complexes: Synthesis, structural characterization, in vitro and in vivo studies","Inorganica Chimica Acta","2020","511","","119807","","10.1016/j.ica.2020.119807","","","0.71073","MoKα","","0.0643","0.0382","","0.0818","0.076","0.076","","","","","","0.9999","","","","has coordinates","267556","2021-07-15","09:34:58",""
"1564170","14.198","0.004","7.011","0.002","29.931","0.006","90","","99.123","0.01","90","","2941.7","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 Cl3 Mn N7 O4 -","- C29 H23 Cl3 Mn N7 O4 -","- C116 H92 Cl12 Mn4 N28 O16 -","4","1","","Mansour, Ahmed M.; Radacki, Krzysztof","Spectroscopic and antimicrobial activity of photoactivatable tricarbonyl Mn(I) terpyridine compounds","Inorganica Chimica Acta","2020","511","","119806","","10.1016/j.ica.2020.119806","","","0.71073","MoKα","","0.049","0.0401","","","0.0853","0.0883","","","","","","1.135","","","","has coordinates","267557","2021-07-15","09:39:27",""
"1564171","18.712","0.003","16.82","0.003","15.504","0.003","90","","126.469","0.003","90","","3924.1","1.2","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H19.99 Cl3 N3 O4.5 Pt1.5 -","- C14 H19.99 Cl3 N3 O4.495 Pt1.5 -","- C112 H159.92 Cl24 N24 O35.96 Pt12 -","8","1","","Teles, Catherine M.; Antunes, Víctor U.; Cardoso, Raquel S.; Candido, Tuany Z.; Lima, Carmen S.P.; Ruiz, Ana Lúcia T.G.; Juliano, Maria A.; Favaro, Denize C.; Abbehausen, Camilla","Functionalization of new anticancer Pt(II) complex with transferrin receptor binding peptide","Inorganica Chimica Acta","2020","511","","119811","","10.1016/j.ica.2020.119811","","","0.71073","MoKα","","0.0147","0.0125","","","0.0299","0.0306","","","","","","1.036","","","","has coordinates","267558","2021-07-15","09:45:36",""
"1564172","8.4202","0.0006","9.3491","0.0006","14.3933","0.0009","93.62","0.002","103.842","0.002","98.215","0.002","1083.27","0.12","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Mo N4 O5 -","- C6 H8 Mo N4 O5 -","- C24 H32 Mo4 N16 O20 -","4","2","","Bruno, Sofia M.; Amarante, Tatiana R.; Almeida Paz, Filipe A.; Pillinger, Martyn; Valente, Anabela A.; Gonçalves, Isabel S.","Oxidation of sulfides in aqueous media catalyzed by pyrazole-oxidoperoxido-molybdenum(VI) complexes","Inorganica Chimica Acta","2020","511","","119814","","10.1016/j.ica.2020.119814","","","0.71073","MoKα","","0.0212","0.0196","","","0.0505","0.0515","","","","","","1.16","","","","has coordinates","267559","2021-07-15","09:51:39",""
"1564173","8.6007","0.0004","13.1512","0.0007","14.6215","0.0007","115.385","0.002","91.606","0.002","108.698","0.001","1388.58","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H60 Mo8 N12 O30.2 -","- C30 H60 Mo8 N12 O30.2 -","- C30 H60 Mo8 N12 O30.2 -","1","0.5","","Bruno, Sofia M.; Amarante, Tatiana R.; Almeida Paz, Filipe A.; Pillinger, Martyn; Valente, Anabela A.; Gonçalves, Isabel S.","Oxidation of sulfides in aqueous media catalyzed by pyrazole-oxidoperoxido-molybdenum(VI) complexes","Inorganica Chimica Acta","2020","511","","119814","","10.1016/j.ica.2020.119814","","","0.71073","MoKα","","0.0184","0.0168","","","0.0436","0.0444","","","","","","1.169","","","","has coordinates,has disorder","267559","2021-07-15","09:51:40",""
"1564174","10.1089","0.0002","18.082","0.0003","16.6095","0.0003","90","","104.674","0.0007","90","","2937.01","0.09","100","","100","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C54 H46.5 Br2 Cl2 N4 Na2 Ni O14.5 -","- C54 H46.5 Br2 Cl2 N4 Na2 Ni O14.5 -","- C108 H93 Br4 Cl4 N8 Na4 Ni2 O29 -","2","1","","Farwa, Ume; Pait, Moumita; Ryu, Ji Yeon; Byun, Yong Min; Lee, Seul Gi; Jeong, Seung Hoo; Singh, Ovender; Singh, Neetu; Park, Hyoung-Ryun; Lee, Junseong","Multinuclear nickel(II) complexes with chiral schiff base ligand","Inorganica Chimica Acta","2020","511","","119798","","10.1016/j.ica.2020.119798","","","0.71073","MoKα","","0.0394","0.0346","","","0.088","0.0897","","","","","","1.05","","","","has coordinates,has disorder","267560","2021-07-15","09:57:51",""
"1564175","44.4417","0.001","44.4417","0.001","11.323","0.0003","90","","90","","120","","19367.5","0.8","100","","100","","","","","","","","","7","R 3 :H","R 3","146","","","","- C58 H52 Br2 N4 Na2 Ni4 O12 -","- C58 H52 Br2 N4 Na1.99983 Ni4 O12 -","- C522 H468 Br18 N36 Na17.9985 Ni36 O108 -","9","1","","Farwa, Ume; Pait, Moumita; Ryu, Ji Yeon; Byun, Yong Min; Lee, Seul Gi; Jeong, Seung Hoo; Singh, Ovender; Singh, Neetu; Park, Hyoung-Ryun; Lee, Junseong","Multinuclear nickel(II) complexes with chiral schiff base ligand","Inorganica Chimica Acta","2020","511","","119798","","10.1016/j.ica.2020.119798","","","0.71073","MoKα","","0.0536","0.0503","","","0.1305","0.1327","","","","","","1.159","","","","has coordinates,has disorder","267561","2021-07-15","09:59:02",""
"1564176","14.7935","0.0004","20.7861","0.0006","41.1035","0.0012","90","","90","","90","","12639.3","0.6","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C105.48 H139.19 Cl2.5 N6 Na1.5 Ni6 O37.75 -","- C105.48 H139.19 Cl2.5 N6 Na1.5 Ni6 O37.75 -","- C421.92 H556.759 Cl10 N24 Na6 Ni24 O151 -","4","1","","Farwa, Ume; Pait, Moumita; Ryu, Ji Yeon; Byun, Yong Min; Lee, Seul Gi; Jeong, Seung Hoo; Singh, Ovender; Singh, Neetu; Park, Hyoung-Ryun; Lee, Junseong","Multinuclear nickel(II) complexes with chiral schiff base ligand","Inorganica Chimica Acta","2020","511","","119798","","10.1016/j.ica.2020.119798","","","0.71073","MoKα","","0.0911","0.06","","","0.1417","0.1557","","","","","","1.03","","","","has coordinates,has disorder","267562","2021-07-15","10:02:10",""
"1564177","7.5603","0.0004","15.3841","0.0009","16.8771","0.001","90","","94.502","0.002","90","","1956.89","0.19","100","2","99.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Gd2 N2 O12 -","- C14 H8 Gd2 N2 O10 -","- C56 H32 Gd8 N8 O40 -","4","1","","Wei, Wei; Zhang, Kai; Wang, Xue-Ting; Du, Shao-Wu","Construction of a highly stable lanthanide metal-organic framework for effective detection of aryl-organophosphorus flame retardants in simulated wastewater and fruit juices","Inorganica Chimica Acta","2020","511","","119840","","10.1016/j.ica.2020.119840","","","0.71073","MoKα","","0.0686","0.0398","","","0.0747","0.0842","","","","","","0.993","","","","has coordinates","267587","2021-07-16","08:25:36",""
"1564178","7.5852","0.0001","15.478","0.0003","16.9013","0.0003","90","","94.578","0.001","90","","1977.94","0.06","100","2","100.05","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Eu2 N2 O12 -","- C14 H8 Eu2 N2 O10 -","- C56 H32 Eu8 N8 O40 -","4","1","","Wei, Wei; Zhang, Kai; Wang, Xue-Ting; Du, Shao-Wu","Construction of a highly stable lanthanide metal-organic framework for effective detection of aryl-organophosphorus flame retardants in simulated wastewater and fruit juices","Inorganica Chimica Acta","2020","511","","119840","","10.1016/j.ica.2020.119840","","","0.71073","MoKα","","0.0239","0.0198","","","0.0374","0.0421","","","","","","1.094","","","","has coordinates","267587","2021-07-16","08:25:37",""
"1564179","7.5401","0.001","15.34","0.0014","16.8317","0.0019","90","","94.438","0.005","90","","1941","0.4","100","2","99.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O12 Tb2 -","- C14 H8 N2 O10 Tb2 -","- C56 H32 N8 O40 Tb8 -","4","1","","Wei, Wei; Zhang, Kai; Wang, Xue-Ting; Du, Shao-Wu","Construction of a highly stable lanthanide metal-organic framework for effective detection of aryl-organophosphorus flame retardants in simulated wastewater and fruit juices","Inorganica Chimica Acta","2020","511","","119840","","10.1016/j.ica.2020.119840","","","0.71073","MoKα","","0.0757","0.0421","","","0.0794","0.0904","","","","","","1.02","","","","has coordinates","267587","2021-07-16","08:25:37",""
"1564180","8.3309","0.0006","11.9489","0.0019","19.6741","0.0015","98.623","0.009","91.246","0.006","104.582","0.01","1870.3","0.4","296.08","0.11","296.08","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C30 H37 N5 Na2 O16 V2 -","- C30 H37 N5 Na2 O16 V2 -","- C60 H74 N10 Na4 O32 V4 -","2","1","","Kurbah, Sunshine Dominic; Clovis, Ndege Simisi","Supramolecular bimetallic vanadium(V) complex driven by hydrogen bonding and O∙∙∙O chalcogen bonding interaction: Oxidation of cyclohexane and its application toward C H bond activation","Inorganica Chimica Acta","2020","511","","119837","","10.1016/j.ica.2020.119837","","x-ray","0.71073","MoKα","","0.1559","0.1357","","","0.3849","0.4016","","","","","","1.512","","","","has coordinates","267588","2021-07-16","08:32:26",""
"1564181","6.9141","0.0009","18.071","0.002","19.864","0.002","90","","95.225","0.003","90","","2471.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H108 Mg6 N8 O68 -","- C76 H108 Mg6 N8 O68 -","- C76 H108 Mg6 N8 O68 -","1","0.25","","Cao, Xiujun; Zhang, Xiaolong; Zhang, Mingdao; Hu, Jinsong","A highly selective and sensitive bifunctional luminescent sensor for TNP and Iron ion based on magnesium coordination polymer","Inorganica Chimica Acta","2020","511","","119836","","10.1016/j.ica.2020.119836","","","0.71073","MoKα","","0.1077","0.0935","","","0.2667","0.2757","","","","","","1.138","","","","has coordinates,has disorder","267589","2021-07-16","08:39:16",""
"1564182","10.8689","0.0018","12.278","0.002","16.906","0.003","104.512","0.002","93.874","0.003","101.256","0.003","2125.9","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 Eu3 N2 O21 -","- C42 H34 Eu3 N2 O21 -","- C84 H68 Eu6 N4 O42 -","2","1","","Zhao, Jiao-Jiao; Liu, Peng-Yu; Dong, Zhen-Peng; Liu, Zhi-Liang; Wang, Yan-Qin","Eu(III)-organic framework as a multi-responsive photoluminescence sensor for efficient detection of 1-naphthol, Fe3+ and MnO4− in water","Inorganica Chimica Acta","2020","511","","119843","","10.1016/j.ica.2020.119843","","","0.71073","MoKα","","0.0444","0.0335","","","0.0683","0.0725","","","","","","1.02","","","","has coordinates","267590","2021-07-16","08:45:33",""
"1564183","17.8379","0.0006","7.1589","0.0002","11.5293","0.0004","90","","118.005","0.005","90","","1299.89","0.09","297","2","297","2","","","","","","","","6","C 1 c 1","C -2yc","9","","potassium pentacyanonitrosylchromate(I) dihydrate","","- C5 H4 Cr K3 N6 O3 -","- C5 H4 Cr K3 N6 O3 -","- C20 H16 Cr4 K12 N24 O12 -","4","1","","Piro, Oscar E.; Echeverría, Gustavo A.; Navaza, Alda; Güida, Jorge A.","Crystal structure and infrared and Raman spectra of K3[Cr(CN)5NO].2H2O, a member of an iconic family of complexes in coordination chemistry","Inorganica Chimica Acta","2020","511","","119831","","10.1016/j.ica.2020.119831","","x-ray","0.71073","MoKα","","0.0299","0.0274","","","0.0645","0.0671","","","","","","1.081","","","","has coordinates","267591","2021-07-16","08:50:53",""
"1564184","8.7285","0.0017","10.412","0.002","12.03","0.002","80.14","0.03","78.3","0.03","79.23","0.03","1041.6","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 N2 O Pt -","- C25 H22 N2 O Pt -","- C50 H44 N4 O2 Pt2 -","2","1","","Noori, Maryam; Shafaatian, Bita; Notash, Behrouz","New organoplatinum complexes containing di-2-pyridyl ketone; single crystal structure determination, solvatochromism and kinetic investigations","Inorganica Chimica Acta","2020","511","","119851","","10.1016/j.ica.2020.119851","","","0.71073","MoKα","","0.095","0.0546","","","0.0985","0.1068","","","","","","0.855","","","","has coordinates","267592","2021-07-16","09:20:16",""
"1564185","6.0546","0.0003","14.8826","0.0007","21.5386","0.0011","90","","92.361","0.002","90","","1939.16","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Br6 Cd N8 O12 -","- C28 H26 Br6 Cd N8 O12 -","- C56 H52 Br12 Cd2 N16 O24 -","2","0.5","","Xu, Jie; Zhu, Peizhi; Wang, Yue; Zhang, Kou-Lin","Multi-responsive luminescence sensing behaviour of a pair of temperature-dependent Cd(II) coordination polymers","Inorganica Chimica Acta","2020","511","","119852","","10.1016/j.ica.2020.119852","","","0.71073","MoKα","","0.0644","0.0473","","","0.1234","0.1324","","","","","","1.063","","","","has coordinates","267593","2021-07-16","09:29:24",""
"1564186","8.8896","0.0004","11.6244","0.0005","12.1041","0.0006","102.011","0.002","93.756","0.002","102.441","0.001","1186.68","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 Br6 Cd N14 O10 -","- C40 H34 Br6 Cd N14 O10 -","- C40 H34 Br6 Cd N14 O10 -","1","0.5","","Xu, Jie; Zhu, Peizhi; Wang, Yue; Zhang, Kou-Lin","Multi-responsive luminescence sensing behaviour of a pair of temperature-dependent Cd(II) coordination polymers","Inorganica Chimica Acta","2020","511","","119852","","10.1016/j.ica.2020.119852","","","0.71073","MoKα","","0.0435","0.032","","","0.0723","0.0764","","","","","","1.081","","","","has coordinates","267593","2021-07-16","09:29:24",""
"1564187","14.9264","0.0018","6.5398","0.0008","7.3558","0.0009","90","","91.63","0.002","90","","717.75","0.15","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Mn N2 O6 -","- C14 H12 Mn N2 O6 -","- C28 H24 Mn2 N4 O12 -","2","0.5","","Luo, Yanan; Kong, Miao; Ren, Hao; Gao, Yongwei; Yu, Xiaoyang","A new 3D Mn(II) coordination polymer: Synthesis, crystal structure and photoelectrical property","Inorganica Chimica Acta","2020","511","","119834","","10.1016/j.ica.2020.119834","","","0.71073","MoKα","","0.0389","0.03","","","0.0666","0.0701","","","","","","1.05","","","","has coordinates","267594","2021-07-16","09:33:09",""
"1564188","8.029","0.008","9.313","0.01","16.203","0.016","100.87","0.03","103.33","0.03","93.63","0.04","1151","2","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 N2 O12 Zn2 -","- C19 H21 N2 O12 Zn2 -","- C38 H42 N4 O24 Zn4 -","2","1","","Buasakun, Jiraporn; Srilaoong, Phakinee; Chainok, Kittipong; Raksakoon, Chadchalerm; Rattanakram, Ramida; Duangthongyou, Tanwawan","Novel zinc(II) coordination polymers (CPs) based on flexible aliphatic carboxylic acids and an N-donor ligand for fluorescence sensors","Inorganica Chimica Acta","2020","511","","119839","","10.1016/j.ica.2020.119839","","","0.71073","MoKα","","0.1233","0.0748","","","0.1973","0.2443","","","","","","1.0369","","","","has coordinates","267595","2021-07-16","09:40:22",""
"1564189","38.026","0.003","8.3166","0.0007","21.2793","0.0019","90","","90","","90","","6729.5","1","296","","296","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C128 H136 N16 O44 Zn8 -","- C128 H136 N16 O44 Zn8 -","- C256 H272 N32 O88 Zn16 -","2","0.125","","Buasakun, Jiraporn; Srilaoong, Phakinee; Chainok, Kittipong; Raksakoon, Chadchalerm; Rattanakram, Ramida; Duangthongyou, Tanwawan","Novel zinc(II) coordination polymers (CPs) based on flexible aliphatic carboxylic acids and an N-donor ligand for fluorescence sensors","Inorganica Chimica Acta","2020","511","","119839","","10.1016/j.ica.2020.119839","","","0.71073","MoKα","","0.0794","0.0565","","","0.1099","0.1178","","","","","","1.0327","","","","has coordinates,has disorder","267595","2021-07-16","09:40:22",""
"1564190","22.1723","0.0008","8.3066","0.0003","15.0836","0.0006","90","","111.857","0.002","90","","2578.35","0.17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H0 N2 O4 Zn -","- C30 H30 N2 O4 Zn -","- C120 H120 N8 O16 Zn4 -","4","0.5","","Naz, Saba; Uddin, Noor; Ullah, Kaleem; Haider, Ali; Gul, Amna; Faisal, Sulaiman; Nadhman, Akhtar; Bibi, Memoona; Yousuf, Sammer; Ali, Saqib","Homo- and heteroleptic Zinc(II) carboxylates: Synthesis, structural characterization, and assessment of their biological significance in in vitro models","Inorganica Chimica Acta","2020","511","","119849","","10.1016/j.ica.2020.119849","","","1.54178","CuKα","","0.0673","0.0659","","","0.1779","0.1793","","","","","","1.014","","","","has coordinates","267596","2021-07-16","09:44:44",""
"1564191","10.493","0.002","10.877","0.002","27.057","0.005","90","","90.81","0.03","90","","3087.8","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H23 N2 O4 Zn -","- C34 H35 N2 O4 Zn -","- C136 H140 N8 O16 Zn4 -","4","1","","Naz, Saba; Uddin, Noor; Ullah, Kaleem; Haider, Ali; Gul, Amna; Faisal, Sulaiman; Nadhman, Akhtar; Bibi, Memoona; Yousuf, Sammer; Ali, Saqib","Homo- and heteroleptic Zinc(II) carboxylates: Synthesis, structural characterization, and assessment of their biological significance in in vitro models","Inorganica Chimica Acta","2020","511","","119849","","10.1016/j.ica.2020.119849","","","0.71073","MoKα","","0.0927","0.0662","","","0.1968","0.2199","","","","","","1.008","","","","has coordinates,has disorder","267597","2021-07-16","09:47:43",""
"1564192","11.1515","0.0003","11.9391","0.0003","12.0735","0.0003","71.769","0.001","87.253","0.001","67.431","0.001","1405.06","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N2 O5 Zn -","- C32 H32 N2 O5 Zn -","- C64 H64 N4 O10 Zn2 -","2","1","","Naz, Saba; Uddin, Noor; Ullah, Kaleem; Haider, Ali; Gul, Amna; Faisal, Sulaiman; Nadhman, Akhtar; Bibi, Memoona; Yousuf, Sammer; Ali, Saqib","Homo- and heteroleptic Zinc(II) carboxylates: Synthesis, structural characterization, and assessment of their biological significance in in vitro models","Inorganica Chimica Acta","2020","511","","119849","","10.1016/j.ica.2020.119849","","","1.54178","CuKα","","0.0395","0.0374","","","0.0923","0.0938","","","","","","1.042","","","","has coordinates,has disorder","267598","2021-07-16","09:49:37",""
"1564193","15.293","0.0012","13.149","0.001","7.5014","0.0006","90","","95.145","0.003","90","","1502.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Br Mn N2 O3 -","- C15 H12 Br Mn N2 O3 -","- C60 H48 Br4 Mn4 N8 O12 -","4","1","","Pordel, Shabnam; Schrage, Briana R.; Ziegler, Christopher J.; White, Jessica K.","Impact of steric bulk on photoinduced ligand exchange reactions in Mn(I) photoCORMs","Inorganica Chimica Acta","2020","511","","119845","","10.1016/j.ica.2020.119845","","","0.71073","MoKα","","0.0609","0.0481","","","0.1159","0.1204","","","","","","1.099","","","","has coordinates","267599","2021-07-16","10:02:26",""
"1564194","12.186","0.003","11.931","0.003","15.609","0.003","90","","94.62","0.006","90","","2262","0.9","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H17 F3 Mn N3 O6 S -","- C21 H17 F3 Mn N3 O6 S -","- C84 H68 F12 Mn4 N12 O24 S4 -","4","2","","Pordel, Shabnam; Schrage, Briana R.; Ziegler, Christopher J.; White, Jessica K.","Impact of steric bulk on photoinduced ligand exchange reactions in Mn(I) photoCORMs","Inorganica Chimica Acta","2020","511","","119845","","10.1016/j.ica.2020.119845","","","0.71073","MoKα","","0.2234","0.1364","","","0.3382","0.3836","","","","","","1.036","","","","has coordinates","267600","2021-07-16","10:03:37",""
"1564195","7.8133","0.0008","17.149","0.0015","17.9215","0.0018","73.446","0.004","89.536","0.004","79.143","0.004","2257.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Br Mn N2 O3 -","- C15 H12 Br Mn N2 O3 -","- C90 H72 Br6 Mn6 N12 O18 -","6","3","","Pordel, Shabnam; Schrage, Briana R.; Ziegler, Christopher J.; White, Jessica K.","Impact of steric bulk on photoinduced ligand exchange reactions in Mn(I) photoCORMs","Inorganica Chimica Acta","2020","511","","119845","","10.1016/j.ica.2020.119845","","","0.71073","MoKα","","0.035","0.0259","","","0.0614","0.064","","","","","","1.004","","","","has coordinates","267601","2021-07-16","10:04:43",""
"1564196","8.725","0.005","11.379","0.006","11.891","0.007","105.02","0.02","93.53","0.03","97.11","0.02","1126","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H17 F3 Mn N3 O6 S -","- C21 H17 F3 Mn N3 O6 S -","- C42 H34 F6 Mn2 N6 O12 S2 -","2","1","","Pordel, Shabnam; Schrage, Briana R.; Ziegler, Christopher J.; White, Jessica K.","Impact of steric bulk on photoinduced ligand exchange reactions in Mn(I) photoCORMs","Inorganica Chimica Acta","2020","511","","119845","","10.1016/j.ica.2020.119845","","","0.71073","MoKα","","0.0265","0.0248","","","0.0666","0.0671","","","","","","1.02","","","","has coordinates","267602","2021-07-16","10:05:59",""
"1564208","8.6531","0.0003","18.8376","0.0006","13.8048","0.0005","90","","96.046","0.003","90","","2237.72","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl2 N8 Zn -","- C20 H24 Cl2 N8 Zn -","- C80 H96 Cl8 N32 Zn4 -","4","1","","Yunusova, Sevilya N.; Novikov, Alexander S.; Khoroshilova, Olesya V.; Kolesnikov, Ilya E.; Demakova, Marina Ya.; Bolotin, Dmitrii S.","Solid-state fluorescent 1,2,4-triazole zinc(II) complexes: Self-organization via bifurcated (N H)2⋯Cl contacts","Inorganica Chimica Acta","2020","510","","119660","","10.1016/j.ica.2020.119660","","x-ray","1.54184","CuKα","","0.0339","0.0303","","","0.0771","0.0794","","","","","","1.057","","","","has coordinates","267634","2021-07-19","08:26:42",""
"1564209","8.269","0.003","13.073","0.005","20.454","0.007","90","","86.983","0.009","90","","2208","1.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cd I2 N5 O -","- C19 H15 Cd I2 N5 O -","- C76 H60 Cd4 I8 N20 O4 -","4","1","","Liu, Yong-Jie; Chen, Ya-Ting; Chen, Ming-Zhao; Mo, Xing-Jun; Huang, Chao; Chen, Dong-Mei; Zhu, Bi-Xue","Self-discriminating and counteranion-controlled self-assembly: Two heterochiral Cd(II) coordination polymers based on a racemic bis(pyridyl) ligand","Inorganica Chimica Acta","2020","510","","119702","","10.1016/j.ica.2020.119702","","","0.71073","MoKα","","0.1667","0.0801","","","0.1349","0.152","","","","","","1.065","","","","has coordinates","267635","2021-07-19","08:43:13",""
"1564210","10.8953","0.0011","25.825","0.003","7.1174","0.0008","90","","105.654","0.003","90","","1928.4","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cd Cl2 N5 O -","- C19 H15 Cd Cl2 N5 O -","- C76 H60 Cd4 Cl8 N20 O4 -","4","1","","Liu, Yong-Jie; Chen, Ya-Ting; Chen, Ming-Zhao; Mo, Xing-Jun; Huang, Chao; Chen, Dong-Mei; Zhu, Bi-Xue","Self-discriminating and counteranion-controlled self-assembly: Two heterochiral Cd(II) coordination polymers based on a racemic bis(pyridyl) ligand","Inorganica Chimica Acta","2020","510","","119702","","10.1016/j.ica.2020.119702","","","0.71073","MoKα","","0.0558","0.0359","","","0.066","0.07","","","","","","1.053","","","","has coordinates","267636","2021-07-19","08:45:10",""
"1564211","8.162","0.005","16.225","0.01","12.259","0.007","90","","101.335","0.019","90","","1591.8","1.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N5 O -","- C19 H15 N5 O -","- C76 H60 N20 O4 -","4","1","","Liu, Yong-Jie; Chen, Ya-Ting; Chen, Ming-Zhao; Mo, Xing-Jun; Huang, Chao; Chen, Dong-Mei; Zhu, Bi-Xue","Self-discriminating and counteranion-controlled self-assembly: Two heterochiral Cd(II) coordination polymers based on a racemic bis(pyridyl) ligand","Inorganica Chimica Acta","2020","510","","119702","","10.1016/j.ica.2020.119702","","","0.71073","MoKα","","0.1202","0.0604","","","0.1319","0.1481","","","","","","1.022","","","","has coordinates","267637","2021-07-19","08:46:18",""
"1564212","8.74","0.005","7.607","0.005","11.597","0.005","90","0.005","104.723","0.005","90","0.005","745.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C8 H8 Ag Mo3 N3 O10 -","- C8 H8 Ag Mo3 N3 O10 -","- C16 H16 Ag2 Mo6 N6 O20 -","2","0.5","","Yu, Xiao-Yang; Li, Sheng-Ling; Zhang, Rui; Gao, Lu; Lu, Tong; Cao, Xue-Ling; Cui, Hao; Shi, Zhenyu; Zheng, Yuguo; Yang, Ying","A new 2D silver(I) inorganic-organic hybrid constructed from in situ decarboxylation reaction: Synthesis, structure and properties","Inorganica Chimica Acta","2020","510","","119717","","10.1016/j.ica.2020.119717","","","0.71069","MoKα","","0.019","0.0167","","","0.048","0.049","","","","","","1.124","","","","has coordinates,has disorder","267638","2021-07-19","08:52:00",""
"1564213","10.7393","0.0007","10.781","0.0006","11.0143","0.0007","96.411","0.005","95.434","0.005","96.552","0.005","1251.51","0.14","175","2","175","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 Cd3 N8 O14 -","- C48 H38 Cd3 N8 O14 -","- C48 H38 Cd3 N8 O14 -","1","0.5","","Parsa, Fatemeh; Ghorbanloo, Massomeh; Morsali, Ali; Wang, Jun; Junk, Peter C.; Retailleau, Pascal","Azobenzene based 2D-MOF for high selective quinone fluorescence sensing performance","Inorganica Chimica Acta","2020","510","","119699","","10.1016/j.ica.2020.119699","","x-ray","0.71073","MoKα","","0.0366","0.0331","","","0.0828","0.0845","","","","","","1.086","","","","has coordinates","267639","2021-07-19","09:01:46",""
"1564214","23.8478","0.0016","9.7286","0.0008","15.1467","0.0011","90","","90","","90","","3514.1","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H16 Mo N2 O6 -","- C16 H16 Mo N2 O6 -","- C128 H128 Mo8 N16 O48 -","8","2","","Balapoor, Leila; Bikas, Rahman; Dargahi, Maryam","Catalytic oxidation of benzyl-alcohol with H2O2 in the presence of a dioxidomolybdenum(VI) complex","Inorganica Chimica Acta","2020","510","","119734","","10.1016/j.ica.2020.119734","","","1.54178","CuKα","","0.095","0.0821","","","0.2329","0.2519","","","","","","1.073","","","","has coordinates","267640","2021-07-19","09:16:40",""
"1564215","38.463","0.0003","38.463","0.0003","10.2363","0.0001","90","","90","","120","","13114.8","0.19","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C29 H38 N2 O3 Sn -","- C29 H38 N2 O3 Sn -","- C522 H684 N36 O54 Sn18 -","18","1","","Debnath, Paresh; Singh, Keisham Surjit; Devi, Thokchom Sonia; Singh, S.Sureshkumar; Butcher, Ray J.; Sieroń, Lesław; Maniukiewicz, Waldemar","Synthesis, characterization, crystal structures and anti-diabetic activity of organotin (IV) complexes with 2-(4-hydroxynaphthylazo)-benzoic acid","Inorganica Chimica Acta","2020","510","","119736","","10.1016/j.ica.2020.119736","","x-ray","0.71073","MoKα","","0.0131","0.013","","","0.0342","0.0343","","","","","","1.072","","","","has coordinates,has disorder","267641","2021-07-19","10:00:52",""
"1564216","10.7854","0.0003","13.5964","0.0003","15.4929","0.0003","103.894","0.002","90.498","0.002","91.519","0.002","2204.41","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H31 N3 O5 -","- C23 H31 N3 O5 -","- C92 H124 N12 O20 -","4","2","","Debnath, Paresh; Singh, Keisham Surjit; Devi, Thokchom Sonia; Singh, S.Sureshkumar; Butcher, Ray J.; Sieroń, Lesław; Maniukiewicz, Waldemar","Synthesis, characterization, crystal structures and anti-diabetic activity of organotin (IV) complexes with 2-(4-hydroxynaphthylazo)-benzoic acid","Inorganica Chimica Acta","2020","510","","119736","","10.1016/j.ica.2020.119736","","x-ray","0.71073","MoKα","","0.0665","0.0585","","","0.1771","0.1854","","","","","","1.061","","","","has coordinates","267641","2021-07-19","10:00:53",""
"1564217","7.5426","0.0004","12.1092","0.0007","15.8208","0.0009","97.935","0.002","92.76","0.002","107.51","0.002","1358.67","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 N2 O6 Sn2 -","- C24 H34 N2 O6 Sn2 -","- C48 H68 N4 O12 Sn4 -","2","1","","Debnath, Paresh; Singh, Keisham Surjit; Devi, Thokchom Sonia; Singh, S.Sureshkumar; Butcher, Ray J.; Sieroń, Lesław; Maniukiewicz, Waldemar","Synthesis, characterization, crystal structures and anti-diabetic activity of organotin (IV) complexes with 2-(4-hydroxynaphthylazo)-benzoic acid","Inorganica Chimica Acta","2020","510","","119736","","10.1016/j.ica.2020.119736","","x-ray","0.71073","","","0.0242","0.0236","","","0.0785","0.0798","","","","","","1.154","","","","has coordinates","267641","2021-07-19","10:00:53",""
"1564282","12.203","0.0011","22.28","0.002","10.5341","0.001","90","","90","","90","","2864","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Co2 H38 N O32 P4 Ru2 -","- Co2 H38 N O32 P4 Ru2 -","- Co8 H152 N4 O128 P16 Ru8 -","4","0.5","","Wang, Lin-Lin; Ding, Tuo; Xue, Xiang-Xian; Yang, Jian-Hui; Liu, Bin","A series of C-Shaped heterometallic Diruthenium(II,III) phosphates: NH4[{M(H2O)5}2Ru2(HPO4)2(PO4)2(H2O)2]·4H2O (M = Mg, Co, Ni and Zn)","Inorganica Chimica Acta","2020","510","","119730","","10.1016/j.ica.2020.119730","","","0.71073","MoKα","","0.0314","0.0275","","","0.076","0.0784","","","","","","1.063","","","","has coordinates","267852","2021-07-31","08:09:15",""
"1564283","12.2322","0.0011","22.237","0.0019","10.5585","0.0009","90","","90","","90","","2872","0.4","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- H38 Mg2 N O32 P4 Ru2 -","- H38 Mg2 N O32 P4 Ru2 -","- H152 Mg8 N4 O128 P16 Ru8 -","4","0.5","","Wang, Lin-Lin; Ding, Tuo; Xue, Xiang-Xian; Yang, Jian-Hui; Liu, Bin","A series of C-Shaped heterometallic Diruthenium(II,III) phosphates: NH4[{M(H2O)5}2Ru2(HPO4)2(PO4)2(H2O)2]·4H2O (M = Mg, Co, Ni and Zn)","Inorganica Chimica Acta","2020","510","","119730","","10.1016/j.ica.2020.119730","","","0.71073","MoKα","","0.039","0.0324","","","0.085","0.089","","","","","","1.074","","","","has coordinates","267853","2021-07-31","08:10:58",""
"1564284","12.2254","0.0012","22.192","0.002","10.4785","0.0011","90","","90","","90","","2842.9","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- H38 N Ni2 O32 P4 Ru2 -","- H38 N Ni2 O32 P4 Ru2 -","- H152 N4 Ni8 O128 P16 Ru8 -","4","0.5","","Wang, Lin-Lin; Ding, Tuo; Xue, Xiang-Xian; Yang, Jian-Hui; Liu, Bin","A series of C-Shaped heterometallic Diruthenium(II,III) phosphates: NH4[{M(H2O)5}2Ru2(HPO4)2(PO4)2(H2O)2]·4H2O (M = Mg, Co, Ni and Zn)","Inorganica Chimica Acta","2020","510","","119730","","10.1016/j.ica.2020.119730","","","0.71073","MoKα","","0.0456","0.0427","","","0.1146","0.1168","","","","","","1.089","","","","has coordinates","267854","2021-07-31","08:12:05",""
"1564285","12.2245","0.0012","22.263","0.002","10.517","0.0009","90","","90","","90","","2862.2","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- H38 N O32 P4 Ru2 Zn2 -","- H38 N O32 P4 Ru2 Zn2 -","- H152 N4 O128 P16 Ru8 Zn8 -","4","0.5","","Wang, Lin-Lin; Ding, Tuo; Xue, Xiang-Xian; Yang, Jian-Hui; Liu, Bin","A series of C-Shaped heterometallic Diruthenium(II,III) phosphates: NH4[{M(H2O)5}2Ru2(HPO4)2(PO4)2(H2O)2]·4H2O (M = Mg, Co, Ni and Zn)","Inorganica Chimica Acta","2020","510","","119730","","10.1016/j.ica.2020.119730","","","0.71073","MoKα","","0.0338","0.0293","","","0.075","0.0772","","","","","","1.074","","","","has coordinates","267855","2021-07-31","08:13:32",""
"1564286","8.9408","0.0002","11.7861","0.0003","12.1424","0.0003","105.561","0.001","96.264","0.001","108.994","0.001","1138.1","0.05","296","","296","","","","","","","","synthesis as described","5","P -1","-P 1","2","","Catena-Poly [aqua( μ3-1H-benzimidazole-5-carboxylato κ4 N:O^5^ ,O^5^', O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^') lantanium(III)]","","- C24 H17 La N6 O7 -","- C24 H17 La N6 O7 -","- C48 H34 La2 N12 O14 -","2","1","","Boukhemis, Ouafa; Bendjeddou, Lamia; Platas-Iglesias, Carlos; Esteban-Gómez, David; Carcelli, Mauro; Merazig, Hocine","Hydrothermal synthesis of six new lanthanides coordination polymers based on 1-H-benzimidazole-5-carboxylic acid: Structure, Hirshfeld analysis, thermal and spectroscopic properties","Inorganica Chimica Acta","2020","510","","119740","","10.1016/j.ica.2020.119740","","x-ray","0.71073","MoKα","","0.013","0.0128","","","0.0337","0.0344","","","","","","1.091","","","","has coordinates","267856","2021-07-31","08:27:09",""
"1564287","8.9084","0.0004","11.7747","0.0005","12.2291","0.0006","104.556","0.002","97.038","0.002","109.275","0.002","1141.96","0.09","296","","296","","","","","","","","synthesis as described","5","P -1","-P 1","2","","Catena-Poly [aqua( μ3-1H-benzimidazole-5-carboxylato κ4 N:O^5^ ,O^5^', O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^')praseodymium(III)]","","- C24 H17 N6 O7 Pr -","- C24 H17 N6 O7 Pr -","- C48 H34 N12 O14 Pr2 -","2","1","","Boukhemis, Ouafa; Bendjeddou, Lamia; Platas-Iglesias, Carlos; Esteban-Gómez, David; Carcelli, Mauro; Merazig, Hocine","Hydrothermal synthesis of six new lanthanides coordination polymers based on 1-H-benzimidazole-5-carboxylic acid: Structure, Hirshfeld analysis, thermal and spectroscopic properties","Inorganica Chimica Acta","2020","510","","119740","","10.1016/j.ica.2020.119740","","x-ray","0.71073","MoKα","","0.0322","0.0308","","","0.0798","0.0807","","","","","","1.23","","","","has coordinates","267856","2021-07-31","08:27:17",""
"1564288","8.8931","0.0001","11.7509","0.0002","12.2255","0.0002","104.309","0.001","97.118","0.001","109.421","0.001","1137.44","0.03","296","","296","","","","","","","","synthesis as described","5","P -1","-P 1","2","","Catena-Poly [aqua( μ3-1H-benzimidazole-5-carboxylato κ4 N:O^5^ ,O^5^', O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^')neodynium(III)]","","- C24 H17 N6 Nd O7 -","- C24 H17 N6 Nd O7 -","- C48 H34 N12 Nd2 O14 -","2","1","","Boukhemis, Ouafa; Bendjeddou, Lamia; Platas-Iglesias, Carlos; Esteban-Gómez, David; Carcelli, Mauro; Merazig, Hocine","Hydrothermal synthesis of six new lanthanides coordination polymers based on 1-H-benzimidazole-5-carboxylic acid: Structure, Hirshfeld analysis, thermal and spectroscopic properties","Inorganica Chimica Acta","2020","510","","119740","","10.1016/j.ica.2020.119740","","x-ray","0.71073","MoKα","","0.0206","0.0184","","","0.0418","0.0432","","","","","","1.067","","","","has coordinates","267856","2021-07-31","08:27:21",""
"1564289","8.8926","0.0005","11.7486","0.0007","12.2297","0.0007","104.178","0.003","97.18","0.003","109.423","0.002","1138.12","0.12","296","","296","","","","","","","","see text","5","P -1","-P 1","2","","Catena-Poly [aqua( μ3-1H-benzimidazole-5-carboxylato κ4 N:O^5^ ,O^5^', O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^') samarium(III)]","","- C24 H17 N6 O7 Sm -","- C24 H17 N6 O7 Sm -","- C48 H34 N12 O14 Sm2 -","2","1","","Boukhemis, Ouafa; Bendjeddou, Lamia; Platas-Iglesias, Carlos; Esteban-Gómez, David; Carcelli, Mauro; Merazig, Hocine","Hydrothermal synthesis of six new lanthanides coordination polymers based on 1-H-benzimidazole-5-carboxylic acid: Structure, Hirshfeld analysis, thermal and spectroscopic properties","Inorganica Chimica Acta","2020","510","","119740","","10.1016/j.ica.2020.119740","","x-ray","0.71073","MoKα","","0.0172","0.0166","","","0.0457","0.0462","","","","","","1.074","","","","has coordinates","267856","2021-07-31","08:27:23",""
"1564290","8.8565","0.0004","11.7017","0.0005","12.2376","0.0005","103.57","0.003","97.571","0.003","109.6","0.003","1130.33","0.09","296","","296","","","","","","","","synthesis as described","5","P -1","-P 1","2","","Catena-Poly [aqua( μ3-1H-benzimidazole-5-carboxylato κ4 N:O^5^ ,O^5^', O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^')europium(III)]","","- C24 H17 Eu N6 O7 -","- C24 H17 Eu N6 O7 -","- C48 H34 Eu2 N12 O14 -","2","1","","Boukhemis, Ouafa; Bendjeddou, Lamia; Platas-Iglesias, Carlos; Esteban-Gómez, David; Carcelli, Mauro; Merazig, Hocine","Hydrothermal synthesis of six new lanthanides coordination polymers based on 1-H-benzimidazole-5-carboxylic acid: Structure, Hirshfeld analysis, thermal and spectroscopic properties","Inorganica Chimica Acta","2020","510","","119740","","10.1016/j.ica.2020.119740","","x-ray","0.71073","MoKα","","0.0389","0.0309","","","0.0657","0.07","","","","","","1.074","","","","has coordinates","267856","2021-07-31","08:27:23",""
"1564291","8.8513","0.0002","11.7031","0.0002","12.2157","0.0003","103.662","0.001","97.485","0.001","109.596","0.001","1127.64","0.04","296","","296","","","","","","","","synthesis as described","5","P -1","-P 1","2","","Catena-Poly [aqua( μ3-1H-benzimidazole-5-carboxylato κ4 N:O^5^ ,O^5^', O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^')gadolinium(III)]","","- C24 H17 Gd N6 O7 -","- C24 H17 Gd N6 O7 -","- C48 H34 Gd2 N12 O14 -","2","1","","Boukhemis, Ouafa; Bendjeddou, Lamia; Platas-Iglesias, Carlos; Esteban-Gómez, David; Carcelli, Mauro; Merazig, Hocine","Hydrothermal synthesis of six new lanthanides coordination polymers based on 1-H-benzimidazole-5-carboxylic acid: Structure, Hirshfeld analysis, thermal and spectroscopic properties","Inorganica Chimica Acta","2020","510","","119740","","10.1016/j.ica.2020.119740","","x-ray","0.71073","MoKα","","0.0127","0.0123","","","0.0311","0.0314","","","","","","1.077","","","","has coordinates","267856","2021-07-31","08:27:23",""
"1564292","21.401","0.0016","19.267","0.002","16.0855","0.0012","90","","91.054","0.003","90","","6631.5","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H7 Dy F18 O8 -","- C15 H7 Dy F18 O8 -","- C120 H56 Dy8 F144 O64 -","8","1","","Li, Xi-Li; Li, Junfeng; Wang, Ailing; Liu, Cai-Ming; Cui, Minghui; Zhang, Yi-Quan","Observation of field-induced single-ion magnet behavior in a mononuclear DyIII complex by co-crystallization of a square-planar CuII complex","Inorganica Chimica Acta","2020","510","","119718","","10.1016/j.ica.2020.119718","","","0.71073","MoKα","","0.0544","0.0465","","","0.0984","0.0999","","","","","","1.041","","","","has coordinates","267857","2021-07-31","08:32:26",""
"1564293","12.4905","0.0005","19.9973","0.0007","16.5143","0.0008","90","","111.796","0.005","90","","3830","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Cu Dy F18 O12 -","- C25 H21 Cu Dy F18 O12 -","- C100 H84 Cu4 Dy4 F72 O48 -","4","1","","Li, Xi-Li; Li, Junfeng; Wang, Ailing; Liu, Cai-Ming; Cui, Minghui; Zhang, Yi-Quan","Observation of field-induced single-ion magnet behavior in a mononuclear DyIII complex by co-crystallization of a square-planar CuII complex","Inorganica Chimica Acta","2020","510","","119718","","10.1016/j.ica.2020.119718","","","0.71073","MoKα","","0.0569","0.0389","","","0.0987","0.1112","","","","","","1.029","","","","has coordinates,has disorder","267858","2021-07-31","08:33:51",""
"1564294","11.1782","0.0007","7.3754","0.0004","12.4363","0.0009","90","","95.582","0.002","90","","1020.43","0.11","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H21 Cl2 Co N7 O3 -","- C14 H21 Cl2 Co N7 O3 -","- C28 H42 Cl4 Co2 N14 O6 -","2","0.5","","Soliman, Saied M.; Elsilk, Sobhy E.; El-Faham, Ayman","Syntheses, structure, Hirshfeld analysis and antimicrobial activity of four new Co(II) complexes with s-triazine-based pincer ligand","Inorganica Chimica Acta","2020","510","","119753","","10.1016/j.ica.2020.119753","","","0.71073","MoKα","","0.0385","0.0331","","","0.0863","0.092","","","","","","1.117","","","","has coordinates","267859","2021-07-31","08:58:33",""
"1564295","8.0012","0.0004","8.1605","0.0004","20.4639","0.001","78.914","0.0019","81.91","0.0018","76.815","0.0019","1270.09","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H25 Cl2 Co N7 O13 -","- C14 H25 Cl2 Co N7 O13 -","- C28 H50 Cl4 Co2 N14 O26 -","2","1","","Soliman, Saied M.; Elsilk, Sobhy E.; El-Faham, Ayman","Syntheses, structure, Hirshfeld analysis and antimicrobial activity of four new Co(II) complexes with s-triazine-based pincer ligand","Inorganica Chimica Acta","2020","510","","119753","","10.1016/j.ica.2020.119753","","","0.71073","MoKα","","0.0847","0.0545","","","0.1408","0.1547","","","","","","1.018","","","","has coordinates,has disorder","267860","2021-07-31","08:59:59",""
"1564296","15.3466","0.0017","8.6064","0.0009","16.288","0.002","90","","111.816","0.003","90","","1997.2","0.4","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C14 H17 Co N9 O7 -","- C14 H17 Co N9 O7 -","- C56 H68 Co4 N36 O28 -","4","2","","Soliman, Saied M.; Elsilk, Sobhy E.; El-Faham, Ayman","Syntheses, structure, Hirshfeld analysis and antimicrobial activity of four new Co(II) complexes with s-triazine-based pincer ligand","Inorganica Chimica Acta","2020","510","","119753","","10.1016/j.ica.2020.119753","","","0.71073","MoKα","","0.0684","0.0509","","","0.124","0.1342","","","","","","1.005","","","","has coordinates,has disorder","267861","2021-07-31","09:01:07",""
"1564297","8.913","0.007","10.554","0.009","13.726","0.011","71.562","0.016","89.487","0.014","82.684","0.014","1214.2","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H25 Co N9 O11 -","- C14 H25 Co N9 O11 -","- C28 H50 Co2 N18 O22 -","2","1","","Soliman, Saied M.; Elsilk, Sobhy E.; El-Faham, Ayman","Syntheses, structure, Hirshfeld analysis and antimicrobial activity of four new Co(II) complexes with s-triazine-based pincer ligand","Inorganica Chimica Acta","2020","510","","119753","","10.1016/j.ica.2020.119753","","","0.71073","MoKα","","0.0494","0.0385","","","0.0826","0.0886","","","","","","1.067","","","","has coordinates","267862","2021-07-31","09:02:34",""
"1564298","13.8282","0.0004","14.4239","0.0004","18.8399","0.0005","73.622","0.001","85.304","0.001","88.507","0.001","3593.14","0.17","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C78 H81 Ag B10 Cl2 O P4 -","- C78 H81 Ag B10 Cl2 O P4 -","- C156 H162 Ag2 B20 Cl4 O2 P8 -","2","1","","Kubasov, A.S.; Matveev, E. Yu.; Klyukin, I.N.; Nichugovskiy, A.I.; Zhizhin, K. Yu; Kuznetsov, N.T.","Silver(I) complexes with substituted derivatives of the boron cluster anions as ligands","Inorganica Chimica Acta","2020","510","","119749","","10.1016/j.ica.2020.119749","","","0.71073","MoKα","","0.0525","0.0422","","","0.0937","0.0983","","","","","","1.032","","","","has coordinates","267863","2021-07-31","09:10:12",""
"1564299","14.329","0.002","14.682","0.002","19.386","0.003","73.89","0.01","84.19","0.01","89.93","0.01","3896.6","1","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H77 Ag B10 O2 P4 -","- C76 H77 Ag B10 O2 P4 -","- C152 H154 Ag2 B20 O4 P8 -","2","1","","Kubasov, A.S.; Matveev, E. Yu.; Klyukin, I.N.; Nichugovskiy, A.I.; Zhizhin, K. Yu; Kuznetsov, N.T.","Silver(I) complexes with substituted derivatives of the boron cluster anions as ligands","Inorganica Chimica Acta","2020","510","","119749","","10.1016/j.ica.2020.119749","","","0.71073","MoKα","","0.1057","0.0708","","","0.18","0.2253","","","","","","1.041","","","","has coordinates","267864","2021-07-31","09:11:21",""
"1564300","11.006","0.002","12.652","0.002","16.226","0.003","102.726","0.011","95.137","0.012","113.616","0.011","1979","0.6","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H71 Ag2 B12 Cl P4 -","- C72 H71 Ag2 B12 Cl P4 -","- C72 H71 Ag2 B12 Cl P4 -","1","0.5","","Kubasov, A.S.; Matveev, E. Yu.; Klyukin, I.N.; Nichugovskiy, A.I.; Zhizhin, K. Yu; Kuznetsov, N.T.","Silver(I) complexes with substituted derivatives of the boron cluster anions as ligands","Inorganica Chimica Acta","2020","510","","119749","","10.1016/j.ica.2020.119749","","","0.71073","MoKα","","0.0645","0.0516","","","0.1385","0.1477","","","","","","1.035","","","","has coordinates,has disorder","267866","2021-07-31","09:12:33",""
"1564301","13.647","0.005","14.796","0.006","37.721","0.015","90","","97.235","0.015","90","","7556","5","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H72 Ag2 B10 O2 P4 -","- C74 H72 Ag2 B10 O2 P4 -","- C296 H288 Ag8 B40 O8 P16 -","4","1","","Kubasov, A.S.; Matveev, E. Yu.; Klyukin, I.N.; Nichugovskiy, A.I.; Zhizhin, K. Yu; Kuznetsov, N.T.","Silver(I) complexes with substituted derivatives of the boron cluster anions as ligands","Inorganica Chimica Acta","2020","510","","119749","","10.1016/j.ica.2020.119749","","","0.71073","MoKα","","0.1156","0.0627","","","0.1586","0.1911","","","","","","0.964","","","","has coordinates,has disorder","267867","2021-07-31","09:14:04",""
"1564319","29.117","0.006","5.3771","0.0012","20.697","0.005","90","","128.911","0.005","90","","2521.4","1","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 N2 O1.03 S -","- C36 H24 N2 O1.028 S -","- C144 H96 N8 O4.112 S4 -","4","0.5","","Xu, Zhen; Climent, Clàudia; Brown, Christopher M.; Hean, Duane; Bardeen, Christopher J.; Casanova, David; Wolf, Michael O.","Controlling ultralong room temperature phosphorescence in organic compounds with sulfur oxidation state.","Chemical science","2020","12","1","188","195","10.1039/d0sc04715e","","","0.71073","MoKα","","0.0741","0.0485","","","0.103","0.1136","","","","","","1.078","","","","has coordinates","267936","2021-08-04","11:09:45",""
"1564320","28.655","0.005","5.5039","0.0011","20.506","0.004","90","","128.655","0.005","90","","2525.6","0.9","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 N2 O2 S -","- C36 H24 N2 O2 S -","- C144 H96 N8 O8 S4 -","4","0.5","","Xu, Zhen; Climent, Clàudia; Brown, Christopher M.; Hean, Duane; Bardeen, Christopher J.; Casanova, David; Wolf, Michael O.","Controlling ultralong room temperature phosphorescence in organic compounds with sulfur oxidation state.","Chemical science","2020","12","1","188","195","10.1039/d0sc04715e","","","0.71073","MoKα","","0.0802","0.0454","","","0.092","0.103","","","","","","1.052","","","","has coordinates","267936","2021-08-04","11:09:51",""
"1564400","6.9856","0.001","19.794","0.003","11.1255","0.0017","90","","96.924","0.002","90","","1527.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 N2 O4 Pb -","- C18 H10 N2 O4 Pb -","- C72 H40 N8 O16 Pb4 -","4","1","","Hui, Yuan-Yuan; Bai, Chao; Hu, Huai-Ming; Lv, Bei; Wang, Xiaofang","The effects of the coordination orientation and steric hindrance of ligands on the structural diversity of Pb(II) coordination polymers","Inorganica Chimica Acta","2020","510","","119751","","10.1016/j.ica.2020.119751","","","0.71073","MoKα","","0.0339","0.0298","","","0.0765","0.0788","","","","","","1.035","","","","has coordinates","268229","2021-08-26","07:26:24",""
"1564401","12.3321","0.0016","14.3089","0.0018","17.111","0.003","105.864","0.003","104.012","0.003","107.527","0.002","2590.5","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H30 N6 O16 Pb3 -","- C54 H30 N6 O16 Pb3 -","- C108 H60 N12 O32 Pb6 -","2","1","","Hui, Yuan-Yuan; Bai, Chao; Hu, Huai-Ming; Lv, Bei; Wang, Xiaofang","The effects of the coordination orientation and steric hindrance of ligands on the structural diversity of Pb(II) coordination polymers","Inorganica Chimica Acta","2020","510","","119751","","10.1016/j.ica.2020.119751","","","0.71073","MoKα","","0.0535","0.0414","","","0.0989","0.1049","","","","","","1.004","","","","has coordinates","268230","2021-08-26","07:27:43",""
"1564402","9.2994","0.0013","10.7126","0.0014","12.8707","0.0017","104.153","0.002","106.688","0.002","90.399","0.002","1186.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H14 N2 O9 Pb2 -","- C26 H14 N2 O9 Pb2 -","- C52 H28 N4 O18 Pb4 -","2","1","","Hui, Yuan-Yuan; Bai, Chao; Hu, Huai-Ming; Lv, Bei; Wang, Xiaofang","The effects of the coordination orientation and steric hindrance of ligands on the structural diversity of Pb(II) coordination polymers","Inorganica Chimica Acta","2020","510","","119751","","10.1016/j.ica.2020.119751","","","0.71073","MoKα","","0.042","0.0353","","","0.09","0.0932","","","","","","1.014","","","","has coordinates","268231","2021-08-26","07:28:57",""
"1564403","15.88","0.002","8.4995","0.0013","18.391","0.003","90","","91.417","0.002","90","","2481.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H28 N4 O20 Pb4 -","- C52 H28 N4 O20 Pb4 -","- C104 H56 N8 O40 Pb8 -","2","0.5","","Hui, Yuan-Yuan; Bai, Chao; Hu, Huai-Ming; Lv, Bei; Wang, Xiaofang","The effects of the coordination orientation and steric hindrance of ligands on the structural diversity of Pb(II) coordination polymers","Inorganica Chimica Acta","2020","510","","119751","","10.1016/j.ica.2020.119751","","","0.71073","MoKα","","0.0493","0.0328","","","0.0702","0.076","","","","","","1.031","","","","has coordinates","268232","2021-08-26","07:30:35",""
"1564404","16.4515","0.0014","23.893","0.002","13.0584","0.0011","90","","90","","90","","5132.9","0.7","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C52 H28 N4 O20 Pb4 -","- C52 H28 N4 O20 Pb4 -","- C208 H112 N16 O80 Pb16 -","4","1","","Hui, Yuan-Yuan; Bai, Chao; Hu, Huai-Ming; Lv, Bei; Wang, Xiaofang","The effects of the coordination orientation and steric hindrance of ligands on the structural diversity of Pb(II) coordination polymers","Inorganica Chimica Acta","2020","510","","119751","","10.1016/j.ica.2020.119751","","","0.71073","MoKα","","0.0392","0.0345","","","0.0729","0.0748","","","","","","1.041","","","","has coordinates","268233","2021-08-26","07:31:42",""
"1564405","12.381","0.003","12.315","0.003","26.259","0.007","90","","91.951","0.006","90","","4001.4","1.7","125","2","125.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 Co2 N4 O14 -","- C39 H34 Co2 N4 O14 -","- C156 H136 Co8 N16 O56 -","4","1","","Majumder, Avishek; Dutta, Nityananda; Haldar, Shobhraj; Das, Arpan; Carrella, Luca; Bera, Manindranath","Aromatic dicarboxylate incorporated new di- and tetranuclear cobalt(II) complexes: Synthetic and structural aspects, and evaluation of properties and catalytic activity","Inorganica Chimica Acta","2020","510","","119752","","10.1016/j.ica.2020.119752","","","0.71073","MoKα","","0.0702","0.0537","","","0.1483","0.1642","","","","","","1.083","","","","has coordinates","268234","2021-08-26","07:36:04",""
"1564406","14.1314","0.0006","17.5517","0.0008","18.0791","0.0007","73.494","0.004","85.949","0.003","74.975","0.004","4152.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74.5 H91 Co4 N8 O24 -","- C74.5 H91 Co4 N8 O24 -","- C149 H182 Co8 N16 O48 -","2","1","","Majumder, Avishek; Dutta, Nityananda; Haldar, Shobhraj; Das, Arpan; Carrella, Luca; Bera, Manindranath","Aromatic dicarboxylate incorporated new di- and tetranuclear cobalt(II) complexes: Synthetic and structural aspects, and evaluation of properties and catalytic activity","Inorganica Chimica Acta","2020","510","","119752","","10.1016/j.ica.2020.119752","","x-ray","0.71073","MoKα","","0.1014","0.0839","","","0.241","0.2601","","","","","","1.019","","","","has coordinates,has disorder","288266","2023-12-12","21:26:48",""
"1564407","13.739","0.003","14.248","0.003","23.065","0.004","90","","90","","90","","4515","1.6","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 Ag5 I7 Mn N4 O2 S2 -","- C24 H16 Ag5 I7 Mn N4 O2 S2 -","- C96 H64 Ag20 I28 Mn4 N16 O8 S8 -","4","1","","Zheng, Wei; Gao, Yan; Chen, NianNian; Wu, Bing; Jia, Dingxian; Zhao, Shengxian","Syntheses, crystal structures, and optical properties of polymeric iodoargentates containing transition metal-complexes with aromatic ligands","Inorganica Chimica Acta","2020","510","","119762","","10.1016/j.ica.2020.119762","","","0.7107","MoKα","","0.0908","0.0654","","","0.1188","0.1283","","","","","","1.106","","","","has coordinates","268236","2021-08-26","07:47:52",""
"1564408","13.5654","0.0013","14.1363","0.0012","23.6271","0.0019","90","","90","","90","","4530.8","0.7","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Ag5 I7 Mn N6 O2 -","- C26 H29 Ag5 I7 Mn N6 O2 -","- C104 H116 Ag20 I28 Mn4 N24 O8 -","4","1","","Zheng, Wei; Gao, Yan; Chen, NianNian; Wu, Bing; Jia, Dingxian; Zhao, Shengxian","Syntheses, crystal structures, and optical properties of polymeric iodoargentates containing transition metal-complexes with aromatic ligands","Inorganica Chimica Acta","2020","510","","119762","","10.1016/j.ica.2020.119762","","","0.71075","MoKα","","0.0435","0.038","","","0.068","0.0704","","","","","","1.015","","","","has coordinates","268237","2021-08-26","07:49:08",""
"1564409","13.664","0.003","14.164","0.003","23.592","0.005","90","","90","","90","","4565.9","1.7","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Ag5 I7 N6 O2 Zn -","- C26 H24 Ag5 I7 N6 O2 Zn -","- C104 H96 Ag20 I28 N24 O8 Zn4 -","4","1","","Zheng, Wei; Gao, Yan; Chen, NianNian; Wu, Bing; Jia, Dingxian; Zhao, Shengxian","Syntheses, crystal structures, and optical properties of polymeric iodoargentates containing transition metal-complexes with aromatic ligands","Inorganica Chimica Acta","2020","510","","119762","","10.1016/j.ica.2020.119762","","","0.71073","MoKα","","0.0853","0.0667","","","0.1184","0.1245","","","","","","1.158","","","","has coordinates","268238","2021-08-26","07:51:03",""
"1564410","8.9407","0.0011","21.54","0.003","12.8687","0.0016","90","","94.398","0.003","90","","2471","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Ag2 Cd2 I6 N8 -","- C40 H32 Ag2 Cd2 I6 N8 -","- C80 H64 Ag4 Cd4 I12 N16 -","2","0.5","","Zheng, Wei; Gao, Yan; Chen, NianNian; Wu, Bing; Jia, Dingxian; Zhao, Shengxian","Syntheses, crystal structures, and optical properties of polymeric iodoargentates containing transition metal-complexes with aromatic ligands","Inorganica Chimica Acta","2020","510","","119762","","10.1016/j.ica.2020.119762","","","0.7107","MoKα","","0.0533","0.0419","","","0.075","0.0787","","","","","","1.224","","","","has coordinates","268239","2021-08-26","07:52:15",""
"1564411","8.3291","0.0007","39.064","0.003","16.2174","0.0015","90","","102.901","0.002","90","","5143.4","0.8","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H44 Ag5 I7 N7 O6 Zn -","- C27 H37 Ag5 I7 N7 O6 Zn -","- C108 H148 Ag20 I28 N28 O24 Zn4 -","4","1","","Zheng, Wei; Gao, Yan; Chen, NianNian; Wu, Bing; Jia, Dingxian; Zhao, Shengxian","Syntheses, crystal structures, and optical properties of polymeric iodoargentates containing transition metal-complexes with aromatic ligands","Inorganica Chimica Acta","2020","510","","119762","","10.1016/j.ica.2020.119762","","","0.71073","MoKα","","0.0823","0.0698","","","0.1599","0.1664","","","","","","1.2","","","","has coordinates","268240","2021-08-26","07:53:43",""
"1564412","16.42","0.002","7.8952","0.001","27.07","0.004","90","","99.668","0.004","90","","3459.5","0.8","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 Ag10 I12 N4 O8 S4 Zn -","- C28 H32 Ag10 I12 N4 O8 S4 Zn -","- C56 H64 Ag20 I24 N8 O16 S8 Zn2 -","2","0.5","","Zheng, Wei; Gao, Yan; Chen, NianNian; Wu, Bing; Jia, Dingxian; Zhao, Shengxian","Syntheses, crystal structures, and optical properties of polymeric iodoargentates containing transition metal-complexes with aromatic ligands","Inorganica Chimica Acta","2020","510","","119762","","10.1016/j.ica.2020.119762","","","0.71073","MoKα","","0.1429","0.0824","","","0.2187","0.3124","","","","","","1.093","","","","has coordinates","268241","2021-08-26","07:54:59",""
"1564413","14.5264","0.0003","12.8131","0.0002","14.7375","0.0004","90","","108.399","0.002","90","","2602.84","0.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cu N2 O8 -","- C28 H28 Cu N2 O8 -","- C112 H112 Cu4 N8 O32 -","4","1","","Puchoňová, Miroslava; Maroszová, Jaroslava; Vasková, Zuzana; Mazúr, Milan; Valigura, Dušan; Koman, Marian; Moncol, Jan","One dimensional carboxylatocopper(II) coordination polymers with 4-pyridylmethanol","Inorganica Chimica Acta","2020","510","","119763","","10.1016/j.ica.2020.119763","","","1.54186","CuKα","","0.034","0.0273","","","0.0705","0.0728","","","","","","1.059","","","","has coordinates","268242","2021-08-26","08:07:42",""
"1564414","7.481","0.0003","7.4852","0.0004","11.6057","0.0005","76.796","0.004","73.661","0.004","84.919","0.004","606.94","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Cu N2 O8 -","- C28 H28 Cu N2 O8 -","- C28 H28 Cu N2 O8 -","1","0.5","","Puchoňová, Miroslava; Maroszová, Jaroslava; Vasková, Zuzana; Mazúr, Milan; Valigura, Dušan; Koman, Marian; Moncol, Jan","One dimensional carboxylatocopper(II) coordination polymers with 4-pyridylmethanol","Inorganica Chimica Acta","2020","510","","119763","","10.1016/j.ica.2020.119763","","","1.54186","CuKα","","0.0379","0.0313","","","0.0816","0.0859","","","","","","1.036","","","","has coordinates","268243","2021-08-26","08:09:25",""
"1564415","7.6091","0.0003","7.6248","0.0003","11.5732","0.0004","80.6","0.003","77.646","0.003","89.331","0.003","646.91","0.04","150","","150","","","","","","","",".","5","P -1","-P 1","2","","","","- C28 H28 Cu N2 O8 -","- C28 H28 Cu N2 O8 -","- C28 H28 Cu N2 O8 -","1","0.5","","Puchoňová, Miroslava; Maroszová, Jaroslava; Vasková, Zuzana; Mazúr, Milan; Valigura, Dušan; Koman, Marian; Moncol, Jan","One dimensional carboxylatocopper(II) coordination polymers with 4-pyridylmethanol","Inorganica Chimica Acta","2020","510","","119763","","10.1016/j.ica.2020.119763","","","0.71073","MoKα","","0.0316","0.029","","0.0734","0.0701","0.0734","","","","","","1.0128","","","","has coordinates","268244","2021-08-26","08:11:17",""
"1564416","7.5681","0.0005","9.195","0.0006","9.8055","0.0006","86.543","0.005","87.753","0.005","65.686","0.005","620.62","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cu N4 O10 -","- C26 H22 Cu N4 O10 -","- C26 H22 Cu N4 O10 -","1","0.5","","Puchoňová, Miroslava; Maroszová, Jaroslava; Vasková, Zuzana; Mazúr, Milan; Valigura, Dušan; Koman, Marian; Moncol, Jan","One dimensional carboxylatocopper(II) coordination polymers with 4-pyridylmethanol","Inorganica Chimica Acta","2020","510","","119763","","10.1016/j.ica.2020.119763","","","1.54186","CuKα","","0.0265","0.0258","","","0.0666","0.0669","","","","","","1.093","","","","has coordinates","268245","2021-08-26","08:12:24",""
"1564417","7.0351","0.0004","7.5386","0.0004","12.1405","0.0007","80.91","0.005","75.42","0.004","82.98","0.004","613.01","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cu N4 O10 -","- C26 H22 Cu N4 O10 -","- C26 H22 Cu N4 O10 -","1","0.5","","Puchoňová, Miroslava; Maroszová, Jaroslava; Vasková, Zuzana; Mazúr, Milan; Valigura, Dušan; Koman, Marian; Moncol, Jan","One dimensional carboxylatocopper(II) coordination polymers with 4-pyridylmethanol","Inorganica Chimica Acta","2020","510","","119763","","10.1016/j.ica.2020.119763","","","1.54186","CuKα","","0.0547","0.0514","","","0.1363","0.1376","","","","","","1.187","","","","has coordinates","268246","2021-08-26","08:13:59",""
"1564418","7.4551","0.0002","12.5518","0.0004","22.1236","0.0006","90","","93.656","0.002","90","","2066","0.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Eu N12 O11 -","- C12 H13 Eu N12 O11 -","- C48 H52 Eu4 N48 O44 -","4","1","","Kordeyro Magrino, D.A.; Korshunov, V.M.; Lyssenko, K.A.; Gontcharenko, V.E.; Belousov, Yu.A.; Pettinari, C.; Taydakov, I.V.","Luminescent complexes of Eu3+,Tb3+ and Gd3+ nitrates with polytopic ligand 2,4,6-tris(1H-pyrazol-1-yl)-1,3,5-triazine","Inorganica Chimica Acta","2020","510","","119764","","10.1016/j.ica.2020.119764","","","0.71073","MoKα","","0.0255","0.0242","","","0.0604","0.0611","","","","","","1.066","","","","has coordinates","268247","2021-08-26","08:29:27",""
"1564419","7.4626","0.0004","12.5841","0.0007","22.1623","0.0012","90","","93.632","0.003","90","","2077.1","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Gd N12 O11 -","- C12 H13 Gd N12 O11 -","- C48 H52 Gd4 N48 O44 -","4","1","","Kordeyro Magrino, D.A.; Korshunov, V.M.; Lyssenko, K.A.; Gontcharenko, V.E.; Belousov, Yu.A.; Pettinari, C.; Taydakov, I.V.","Luminescent complexes of Eu3+,Tb3+ and Gd3+ nitrates with polytopic ligand 2,4,6-tris(1H-pyrazol-1-yl)-1,3,5-triazine","Inorganica Chimica Acta","2020","510","","119764","","10.1016/j.ica.2020.119764","","","0.71073","MoKα","","0.0276","0.0215","","","0.0459","0.048","","","","","","1.019","","","","has coordinates","268247","2021-08-26","08:29:31",""
"1564420","10.5369","0.0013","10.6632","0.0009","17.2574","0.0012","99.031","0.003","97.542","0.002","103.387","0.002","1834.4","0.3","153","2","152.99","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H35 N O7 S3 Zn -","- C36 H35 N O7 S3 Zn -","- C72 H70 N2 O14 S6 Zn2 -","2","1","","Song, Kun; Liu, Ning","A Zn(II)-based coordination polymer: Fluorescence sensing property and treatment effect on Osteosarcoma by inducing autophagic programed cancer cell death","Inorganica Chimica Acta","2020","510","","119784","","10.1016/j.ica.2020.119784","","","0.71073","MoKα","","0.0776","0.0543","","","0.1381","0.1525","","","","","","1.039","","","","has coordinates","268248","2021-08-26","08:32:21",""
"1564421","10.1275","0.0003","10.1811","0.0003","12.2567","0.0003","75.949","0.001","86.271","0.001","67.905","0.001","1135.45","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H16 Cl8 Cu2 N8 O8 S4 -","- C36 H16 Cl8 Cu2 N8 O8 S4 -","- C36 H16 Cl8 Cu2 N8 O8 S4 -","1","0.5","","Eremina, Julia A.; Lider, Elizaveta V.; Sukhikh, Taisiya S.; Klyushova, Lyubov S.; Perepechaeva, Maria L.; Sheven', Dmitriy G.; Berezin, Alexey S.; Grishanova, Alevtina Y.; Potkin, Vladimir I.","Water-soluble copper(II) complexes with 4,5-dichloro-isothiazole-3-carboxylic acid and heterocyclic N-donor ligands: Synthesis, crystal structures, cytotoxicity, and DNA binding study","Inorganica Chimica Acta","2020","510","","119778","","10.1016/j.ica.2020.119778","","","0.71073","MoKα","","0.0334","0.0285","","","0.068","0.0705","","","","","","1.034","","","","has coordinates","268249","2021-08-26","08:36:34",""
"1564422","8.6656","0.0003","11.72","0.0004","12.9228","0.0003","103.283","0.001","102.84","0.001","104.336","0.002","1182.1","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H12 Cl4 Cu N4 O4 S2 -","- C20 H12 Cl4 Cu N4 O4 S2 -","- C40 H24 Cl8 Cu2 N8 O8 S4 -","2","1","","Eremina, Julia A.; Lider, Elizaveta V.; Sukhikh, Taisiya S.; Klyushova, Lyubov S.; Perepechaeva, Maria L.; Sheven', Dmitriy G.; Berezin, Alexey S.; Grishanova, Alevtina Y.; Potkin, Vladimir I.","Water-soluble copper(II) complexes with 4,5-dichloro-isothiazole-3-carboxylic acid and heterocyclic N-donor ligands: Synthesis, crystal structures, cytotoxicity, and DNA binding study","Inorganica Chimica Acta","2020","510","","119778","","10.1016/j.ica.2020.119778","","","0.71073","MoKα","","0.0467","0.0357","","","0.0693","0.0738","","","","","","1.023","","","","has coordinates","268250","2021-08-26","08:38:11",""
"1564423","8.0973","0.0004","9.3869","0.0005","16.2056","0.0007","74.098","0.002","87.919","0.002","76.745","0.002","1152.6","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H10 Cl4 Cu N4 O5 S2 -","- C20 H10 Cl4 Cu N4 O5 S2 -","- C40 H20 Cl8 Cu2 N8 O10 S4 -","2","1","","Eremina, Julia A.; Lider, Elizaveta V.; Sukhikh, Taisiya S.; Klyushova, Lyubov S.; Perepechaeva, Maria L.; Sheven', Dmitriy G.; Berezin, Alexey S.; Grishanova, Alevtina Y.; Potkin, Vladimir I.","Water-soluble copper(II) complexes with 4,5-dichloro-isothiazole-3-carboxylic acid and heterocyclic N-donor ligands: Synthesis, crystal structures, cytotoxicity, and DNA binding study","Inorganica Chimica Acta","2020","510","","119778","","10.1016/j.ica.2020.119778","","","0.71073","MoKα","","0.0269","0.0239","","","0.0594","0.0613","","","","","","1.031","","","","has coordinates","268251","2021-08-26","08:42:51",""
"1564424","6.1722","0.0007","12.6903","0.0011","10.3679","0.0011","90","","90.645","0.004","90","","812.04","0.14","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C15 H15 Co N3 O5 -","- C15 H15 Co N3 O5 -","- C30 H30 Co2 N6 O10 -","2","1","","Zhu, Liwei; Liu, Ning; Yu, Liangmin; Jiang, Xiaohui; Li, Xia","pH-dependent synthesis of two three-dimensional cobalt-based metal organic frameworks with antibacterial activity and dye adsorption","Inorganica Chimica Acta","2020","510","","119728","","10.1016/j.ica.2020.119728","","","0.71073","MoKα","","0.0781","0.0738","","","0.1852","0.1884","","","","","","1.055","","","","has coordinates","268252","2021-08-26","08:52:36",""
"1564425","9.8029","0.0004","12.7788","0.0005","10.837","0.0005","90","","100.881","0.002","90","","1333.14","0.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H16 Co2 N4 O8 -","- C24 H16 Co2 N4 O8 -","- C48 H32 Co4 N8 O16 -","2","1","","Zhu, Liwei; Liu, Ning; Yu, Liangmin; Jiang, Xiaohui; Li, Xia","pH-dependent synthesis of two three-dimensional cobalt-based metal organic frameworks with antibacterial activity and dye adsorption","Inorganica Chimica Acta","2020","510","","119728","","10.1016/j.ica.2020.119728","","","0.71073","MoKα","","0.0824","0.0443","","","0.0875","0.1047","","","","","","1.028","","","","has coordinates","268252","2021-08-26","08:52:37",""
"1564426","10.468","0.003","14.359","0.004","20.227","0.005","90","","90","","90","","3040.3","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H8 Cu N6 O8 -","- C12 H8 Cu N6 O8 -","- C96 H64 Cu8 N48 O64 -","8","1","","Bikas, Rahman; Valadbeigi, Younes; Otręba, Marta; Lis, Tadeusz","Mechanistic studies on the in-situ generation of furoxan ring during the formation of Cu(II) coordination compound from dioxime ligand: Theoretical and experimental study","Inorganica Chimica Acta","2020","510","","119756","","10.1016/j.ica.2020.119756","","","0.71073","MoKα","","0.0449","0.0378","","","0.1097","0.1127","","","","","","1.099","","","","has coordinates,has disorder","268253","2021-08-26","09:03:23",""
"1564429","7.8247","0.0016","10.101","0.002","14.815","0.003","99.91","0.03","90.86","0.03","95.17","0.03","1148.2","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Ca N12 O6 -","- C16 H18 Ca N12 O6 -","- C32 H36 Ca2 N24 O12 -","2","1","","Shen, Lei; Chen, Jianjiao; Zou, Zhenyuan; Ke, Zhen; Wei, Bo; Yang, Jie; Zou, Dengfeng","Synthesis and anticancer property of three new Ca (II) compounds derived from tetrazole carboxylate ligands","Inorganica Chimica Acta","2020","509","","119659","","10.1016/j.ica.2020.119659","","","0.71073","MoKα","","0.2195","0.1107","","","0.2061","0.2464","","","","","","1.028","","","","has coordinates","268284","2021-08-30","07:58:11",""
"1564430","7.7997","0.0016","10.537","0.002","27.732","0.005","90","","90","","90","","2279.2","0.8","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H22 Ca N10 O6 -","- C18 H20 Ca N10 O6 -","- C72 H80 Ca4 N40 O24 -","4","1","","Shen, Lei; Chen, Jianjiao; Zou, Zhenyuan; Ke, Zhen; Wei, Bo; Yang, Jie; Zou, Dengfeng","Synthesis and anticancer property of three new Ca (II) compounds derived from tetrazole carboxylate ligands","Inorganica Chimica Acta","2020","509","","119659","","10.1016/j.ica.2020.119659","","","0.71073","MoKα","","0.0957","0.084","","","0.2461","0.2526","","","","","","1.84","","","","has coordinates","268284","2021-08-30","07:58:12",""
"1564431","10.988","0.002","11.08","0.002","17.179","0.003","74.33","0.03","77.61","0.03","79.45","0.03","1949.4","0.7","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 Ca N15 O9 -","- C31 H30 Ca N15 O9 -","- C62 H60 Ca2 N30 O18 -","2","1","","Shen, Lei; Chen, Jianjiao; Zou, Zhenyuan; Ke, Zhen; Wei, Bo; Yang, Jie; Zou, Dengfeng","Synthesis and anticancer property of three new Ca (II) compounds derived from tetrazole carboxylate ligands","Inorganica Chimica Acta","2020","509","","119659","","10.1016/j.ica.2020.119659","","","0.71073","MoKα","","0.1849","0.1445","","","0.3465","0.3892","","","","","","1.206","","","","has coordinates","268284","2021-08-30","07:58:12",""
"1564432","11.0875","0.0005","13.519","0.0006","9.4155","0.0004","90","","93.253","0.002","90","","1409.03","0.11","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 N4 O4 Zn -","- C12 H14 N4 O4 Zn -","- C48 H56 N16 O16 Zn4 -","4","0.5","","Fan, Chuanbin; Zhang, Xia; Xu, Cungang; Wu, Ruixue; Li, Nana; Wang, Lulu; Zhang, Dongmei; Bi, Shuangyu; Fan, Yuhua","Two novel Zn-CPs act as dual-functional luminescent sensors for highly selective, sensitive and stable detection of Fe3+ ions and tetracycline","Inorganica Chimica Acta","2020","509","","119665","","10.1016/j.ica.2020.119665","","","0.71073","MoKα","","0.0454","0.0353","","","0.0801","0.086","","","","","","1.033","","","","has coordinates","268285","2021-08-30","08:15:28",""
"1564433","9.3028","0.0008","10.2786","0.0009","22.048","0.002","79.366","0.002","89.895","0.002","75.983","0.002","2008.3","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 N4 O15 Zn3 -","- C40 H30 N4 O15 Zn3 -","- C80 H60 N8 O30 Zn6 -","2","1","","Fan, Chuanbin; Zhang, Xia; Xu, Cungang; Wu, Ruixue; Li, Nana; Wang, Lulu; Zhang, Dongmei; Bi, Shuangyu; Fan, Yuhua","Two novel Zn-CPs act as dual-functional luminescent sensors for highly selective, sensitive and stable detection of Fe3+ ions and tetracycline","Inorganica Chimica Acta","2020","509","","119665","","10.1016/j.ica.2020.119665","","x-ray","0.71073","MoKα","","0.0566","0.0439","","","0.1282","0.1426","","","","","","1.083","","","","has coordinates","268285","2021-08-30","08:15:35",""
"1564434","8.8557","0.0003","11.8069","0.0005","16.8833","0.0008","90","","100.34","0.004","90","","1736.62","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Cl2 N3 Zn -","- C18 H13 Cl2 N3 Zn -","- C72 H52 Cl8 N12 Zn4 -","4","1","","Volpi, Giorgio; Priola, Emanuele; Garino, Claudio; Daolio, Andrea; Rabezzana, Roberto; Benzi, Paola; Giordana, Alessia; Diana, Eliano; Gobetto, Roberto","Blue fluorescent zinc(II) complexes based on tunable imidazo[1,5-a]pyridines","Inorganica Chimica Acta","2020","509","","119662","","10.1016/j.ica.2020.119662","","","0.71073","MoKα","","0.1211","0.0676","","","0.1486","0.18","","","","","","1.08","","","","has coordinates","268286","2021-08-30","08:29:02",""
"1564435","11.6572","0.0005","18.2684","0.0009","20.1661","0.001","90","","98.635","0.004","90","","4245.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H26 Cl6 F6 N6 Zn2 -","- C39 H26 Cl6 F6 N6 Zn2 -","- C156 H104 Cl24 F24 N24 Zn8 -","4","1","","Volpi, Giorgio; Priola, Emanuele; Garino, Claudio; Daolio, Andrea; Rabezzana, Roberto; Benzi, Paola; Giordana, Alessia; Diana, Eliano; Gobetto, Roberto","Blue fluorescent zinc(II) complexes based on tunable imidazo[1,5-a]pyridines","Inorganica Chimica Acta","2020","509","","119662","","10.1016/j.ica.2020.119662","","","0.71073","MoKα","","0.1272","0.051","","","0.0728","0.095","","","","","","0.981","","","","has coordinates,has disorder","268286","2021-08-30","08:29:03",""
"1564436","10.852","0.0007","10.9062","0.0008","11.194","0.0006","116.668","0.006","94.023","0.005","106.033","0.006","1108.43","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 Cl2 F3 N4 Zn -","- C21 H15 Cl2 F3 N4 Zn -","- C42 H30 Cl4 F6 N8 Zn2 -","2","1","","Volpi, Giorgio; Priola, Emanuele; Garino, Claudio; Daolio, Andrea; Rabezzana, Roberto; Benzi, Paola; Giordana, Alessia; Diana, Eliano; Gobetto, Roberto","Blue fluorescent zinc(II) complexes based on tunable imidazo[1,5-a]pyridines","Inorganica Chimica Acta","2020","509","","119662","","10.1016/j.ica.2020.119662","","","1.5418","CuKα","","0.0759","0.0524","","","0.1428","0.1949","","","","","","1.114","","","","has coordinates,has disorder","268286","2021-08-30","08:29:03",""
"1564437","8.5516","0.0012","9.3088","0.0013","13.5809","0.0018","93.575","0.011","95.753","0.011","104.808","0.012","1035.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Cl2 N3 Zn -","- C22 H21 Cl2 N3 Zn -","- C44 H42 Cl4 N6 Zn2 -","2","1","","Volpi, Giorgio; Priola, Emanuele; Garino, Claudio; Daolio, Andrea; Rabezzana, Roberto; Benzi, Paola; Giordana, Alessia; Diana, Eliano; Gobetto, Roberto","Blue fluorescent zinc(II) complexes based on tunable imidazo[1,5-a]pyridines","Inorganica Chimica Acta","2020","509","","119662","","10.1016/j.ica.2020.119662","","","0.71073","MoKα","","0.2636","0.0827","","","0.112","0.1758","","","","","","0.908","","","","has coordinates","268286","2021-08-30","08:29:03",""
"1564438","10.923","0.002","11.512","0.002","20.311","0.004","74.918","0.003","84.284","0.003","67.8","0.003","2283.2","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H28 Ag2 F12 N2 O4 S2 -","- C45 H28 Ag2 F12 N2 O4 S2 -","- C90 H56 Ag4 F24 N4 O8 S4 -","2","1","","Han, Jing; Li, Qing; Yu, Zhong; Quan, Chun-yan; Liu, Xiang; Han, Jia-cai","Light-driven coordination anions-directed regulation of chromism in three metal complexes assembled by cyano-equipped dithienylethene ligand","Inorganica Chimica Acta","2020","509","","119666","","10.1016/j.ica.2020.119666","","","0.71073","MoKα","","0.1019","0.0667","","","0.1961","0.2345","","","","","","1.039","","","","has coordinates","268287","2021-08-30","08:37:22",""
"1564439","13.923","0.009","12.083","0.008","21.164","0.013","90","","103.077","0.013","90","","3468","4","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 Ag B F10 N2 O S2 -","- C33 H24 Ag B F10 N2 O S2 -","- C132 H96 Ag4 B4 F40 N8 O4 S8 -","4","1","","Han, Jing; Li, Qing; Yu, Zhong; Quan, Chun-yan; Liu, Xiang; Han, Jia-cai","Light-driven coordination anions-directed regulation of chromism in three metal complexes assembled by cyano-equipped dithienylethene ligand","Inorganica Chimica Acta","2020","509","","119666","","10.1016/j.ica.2020.119666","","","0.71073","MoKα","","0.2771","0.0905","","","0.1936","0.2948","","","","","","0.901","","","","has coordinates","268287","2021-08-30","08:37:23",""
"1564440","38.457","0.018","9.26","0.004","11.343","0.005","90","","102.569","0.009","90","","3943","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H20 Ag2 F12 N2 O8 S4 -","- C31 H20 Ag2 F12 N2 O8 S4 -","- C124 H80 Ag8 F48 N8 O32 S16 -","4","0.5","","Han, Jing; Li, Qing; Yu, Zhong; Quan, Chun-yan; Liu, Xiang; Han, Jia-cai","Light-driven coordination anions-directed regulation of chromism in three metal complexes assembled by cyano-equipped dithienylethene ligand","Inorganica Chimica Acta","2020","509","","119666","","10.1016/j.ica.2020.119666","","","0.71073","MoKα","","0.1368","0.0996","","","0.2444","0.2652","","","","","","1.048","","","","has coordinates,has disorder","268287","2021-08-30","08:37:23",""
"1564441","20.26","0.02","13.972","0.015","10.816","0.013","90","","90.43","0.02","90","","3062","6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 F6 N2 O S2 -","- C33 H24 F6 N2 O S2 -","- C132 H96 F24 N8 O4 S8 -","4","0.5","","Han, Jing; Li, Qing; Yu, Zhong; Quan, Chun-yan; Liu, Xiang; Han, Jia-cai","Light-driven coordination anions-directed regulation of chromism in three metal complexes assembled by cyano-equipped dithienylethene ligand","Inorganica Chimica Acta","2020","509","","119666","","10.1016/j.ica.2020.119666","","","0.71073","MoKα","","0.2109","0.1056","","","0.2381","0.2962","","","","","","1.036","","","","has coordinates,has disorder","268287","2021-08-30","08:37:23",""
"1564442","13.1547","0.0002","10.0402","0.0002","25.7343","0.0004","90","","103.789","0.001","90","","3300.92","0.1","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H41 Co N4 Na O8 S3 -","- C29 H41 Co N4 Na O8 S3 -","- C116 H164 Co4 N16 Na4 O32 S12 -","4","1","","Oloyede, Hammed Olawale; Woods, Joseph Anthony Orighomisan; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Coordination environment variations in multinuclear trigonal bipyramid Co(II) complexes bearing tetradentate sulfonamide N-donors and phenoxazinone synthase activities","Inorganica Chimica Acta","2020","509","","119664","","10.1016/j.ica.2020.119664","","","0.71073","MoKα","","0.0431","0.0371","","","0.0922","0.0966","","","","","","1.056","","","","has coordinates,has disorder","268288","2021-08-30","10:55:27",""
"1564443","14.7871","0.0002","26.5758","0.0004","16.0876","0.0003","90","","109.367","0.001","90","","5964.35","0.17","133","2","133","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C105.4 H179.6 Co2 N8 Na2 O17.4 S6 -","- C105.4 H179.6 Co2 N8 Na2 O17.4 S6 -","- C210.8 H359.2 Co4 N16 Na4 O34.8 S12 -","2","1","","Oloyede, Hammed Olawale; Woods, Joseph Anthony Orighomisan; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Coordination environment variations in multinuclear trigonal bipyramid Co(II) complexes bearing tetradentate sulfonamide N-donors and phenoxazinone synthase activities","Inorganica Chimica Acta","2020","509","","119664","","10.1016/j.ica.2020.119664","","","0.71073","MoKα","","0.0569","0.0478","","","0.0957","0.1014","","","","","","1.083","","","","has coordinates,has disorder","268289","2021-08-30","10:56:57",""
"1564444","14.646","0.0003","15.3244","0.0002","15.514","0.0003","66.322","0.001","71.005","0.001","69.533","0.001","2917.24","0.09","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C106 H172 Co2 N10 Na2 O14 S6 -","- C106 H172 Co2 N10 Na2 O14 S6 -","- C106 H172 Co2 N10 Na2 O14 S6 -","1","0.5","","Oloyede, Hammed Olawale; Woods, Joseph Anthony Orighomisan; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Coordination environment variations in multinuclear trigonal bipyramid Co(II) complexes bearing tetradentate sulfonamide N-donors and phenoxazinone synthase activities","Inorganica Chimica Acta","2020","509","","119664","","10.1016/j.ica.2020.119664","","","0.71073","MoKα","","0.0573","0.0431","","","0.0883","0.0956","","","","","","1.058","","","","has coordinates","268290","2021-08-30","10:58:33",""
"1564445","14.6938","0.0003","27.8487","0.0007","16.7818","0.0004","90","","112.488","0.001","90","","6345","0.3","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C114 H184 Co2 K2 N14 O14 S6 -","- C114 H184 Co2 K2 N14 O14 S6 -","- C228 H368 Co4 K4 N28 O28 S12 -","2","0.5","","Oloyede, Hammed Olawale; Woods, Joseph Anthony Orighomisan; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Coordination environment variations in multinuclear trigonal bipyramid Co(II) complexes bearing tetradentate sulfonamide N-donors and phenoxazinone synthase activities","Inorganica Chimica Acta","2020","509","","119664","","10.1016/j.ica.2020.119664","","","0.71073","MoKα","","0.0842","0.0631","","","0.1308","0.1414","","","","","","1.109","","","","has coordinates","268291","2021-08-30","10:59:37",""
"1564446","15.0996","0.0002","26.2661","0.0004","17.0823","0.0003","90","","112.114","0.001","90","","6276.58","0.17","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C104 H182 Co2 Cs2 N8 O20 S6 -","- C104 H182 Co2 Cs2 N8 O20 S6 -","- C208 H364 Co4 Cs4 N16 O40 S12 -","2","0.5","","Oloyede, Hammed Olawale; Woods, Joseph Anthony Orighomisan; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Coordination environment variations in multinuclear trigonal bipyramid Co(II) complexes bearing tetradentate sulfonamide N-donors and phenoxazinone synthase activities","Inorganica Chimica Acta","2020","509","","119664","","10.1016/j.ica.2020.119664","","","0.71073","MoKα","","0.0915","0.0683","","","0.1242","0.1358","","","","","","1.153","","","","has coordinates,has disorder","268292","2021-08-30","11:01:12",""
"1564447","7.2516","0.0004","10.5428","0.0009","18.818","0.0016","77.275","0.007","83.739","0.006","85.56","0.006","1392.85","0.19","289","2","289.2","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H14 Cl6 Mn N4 O6 -","- C24 H14 Cl6 Mn N4 O6 -","- C48 H28 Cl12 Mn2 N8 O12 -","2","1","","Li, Jun-Xia; Du, Zhong-Xiang; Pan, Qiu-Yue; Zhang, Lu-Lu; Liu, Duo-Li","The first 3, 5, 6-trichloropyridine-2-oxyacetate bridged manganese coordination polymer with features of π⋯π stacking and halogen⋯halogen interactions: Synthesis, crystal analysis and magnetic properties","Inorganica Chimica Acta","2020","509","","119677","","10.1016/j.ica.2020.119677","","x-ray","0.71073","MoKα","","0.0944","0.0678","","","0.1737","0.1855","","","","","","1.075","","","","has coordinates","268293","2021-08-30","11:05:37",""
"1564448","10.446","0.002","10.877","0.002","12.503","0.003","104.644","0.004","107.329","0.004","97.583","0.004","1278.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Dy N3 O12 -","- C21 H24 Dy N3 O12 -","- C42 H48 Dy2 N6 O24 -","2","1","","García-Valdivia, Antonio A.; Zabala-Lekuona, Andoni; Goñi-Cárdenas, Ainhoa; Fernández, Belén; García, Jose A.; Quílez del Moral, José F.; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Dilution effect on the slow relaxation of a luminescent dysprosium Metal-Organic Framework based on 2,5-dihydroxyterephthalic acid","Inorganica Chimica Acta","2020","509","","119687","","10.1016/j.ica.2020.119687","","","0.71069","MoKα","","0.0317","0.0246","","","0.0606","0.0624","","","","","","1.086","","","","has coordinates","268294","2021-08-30","11:08:39",""
"1564449","15.159","0.004","8.142","0.002","18.374","0.005","90","","90","","90","","2267.8","1","223","","223","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H24 Cl2 Mn N6 -","- C22 H24 Cl2 Mn N6 -","- C88 H96 Cl8 Mn4 N24 -","4","0.5","","Mikata, Yuji; Murakami, Kana; Ochi, Ayaka; Nakagaki, Fumie; Naito, Kyoko; Matsumoto, Arimasa; Mitsuhashi, Ryoji; Mikuriya, Masahiro","Conversion of (µ-OH)2Mn2(II,II) complex to (µ-O)2Mn2(III,III) core supported by a quinoxaline-based tetranitrogen ligand","Inorganica Chimica Acta","2020","509","","119688","","10.1016/j.ica.2020.119688","","","0.7107","MoKα","","0.101","0.0554","","","0.1153","0.1415","","","","","","1.041","","","","has coordinates","268295","2021-08-30","11:14:50",""
"1564450","18.612","0.005","14.332","0.004","19.499","0.005","90","","90.04","0.003","90","","5201","2","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H56 Cl2 Mn2 N14 O10 -","- C48 H56 Cl2 Mn2 N14 O10 -","- C192 H224 Cl8 Mn8 N56 O40 -","4","0.5","","Mikata, Yuji; Murakami, Kana; Ochi, Ayaka; Nakagaki, Fumie; Naito, Kyoko; Matsumoto, Arimasa; Mitsuhashi, Ryoji; Mikuriya, Masahiro","Conversion of (µ-OH)2Mn2(II,II) complex to (µ-O)2Mn2(III,III) core supported by a quinoxaline-based tetranitrogen ligand","Inorganica Chimica Acta","2020","509","","119688","","10.1016/j.ica.2020.119688","","","0.7107","MoKα","","0.0699","0.0549","","","0.1277","0.1408","","","","","","1.126","","","","has coordinates","268296","2021-08-30","11:16:15",""
"1564451","18.697","0.004","14.237","0.003","18.636","0.004","90","","92.26","0.003","90","","4956.8","1.8","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H54 Cl2 Mn2 N14 O10 -","- C48 H54 Cl2 Mn2 N14 O10 -","- C192 H216 Cl8 Mn8 N56 O40 -","4","0.5","","Mikata, Yuji; Murakami, Kana; Ochi, Ayaka; Nakagaki, Fumie; Naito, Kyoko; Matsumoto, Arimasa; Mitsuhashi, Ryoji; Mikuriya, Masahiro","Conversion of (µ-OH)2Mn2(II,II) complex to (µ-O)2Mn2(III,III) core supported by a quinoxaline-based tetranitrogen ligand","Inorganica Chimica Acta","2020","509","","119688","","10.1016/j.ica.2020.119688","","","0.7107","MoKα","","0.0406","0.0357","","","0.0881","0.0918","","","","","","1.044","","","","has coordinates","268297","2021-08-30","11:17:27",""
"1564452","16.9363","0.0017","14.7356","0.0015","24.274","0.003","90","","90","","90","","6058","1.1","153","","153","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C62 H54 Cl2 Mn2 N18 O10 -","- C62 H54 Cl2 Mn2 N18 O10 -","- C248 H216 Cl8 Mn8 N72 O40 -","4","0.5","","Mikata, Yuji; Murakami, Kana; Ochi, Ayaka; Nakagaki, Fumie; Naito, Kyoko; Matsumoto, Arimasa; Mitsuhashi, Ryoji; Mikuriya, Masahiro","Conversion of (µ-OH)2Mn2(II,II) complex to (µ-O)2Mn2(III,III) core supported by a quinoxaline-based tetranitrogen ligand","Inorganica Chimica Acta","2020","509","","119688","","10.1016/j.ica.2020.119688","","","0.71075","MoKα","","0.0496","0.046","","","0.1226","0.1265","","","","","","1.06","","","","has coordinates","268298","2021-08-30","11:19:11",""
"1564453","14.6775","0.0006","26.3783","0.0009","18.137","0.0008","90","","90.448","0.002","90","","7021.8","0.5","153","","153","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H76 Cl4 Mn3 N12 O6 -","- C72 H76 Cl4 Mn3 N12 O6 -","- C288 H304 Cl16 Mn12 N48 O24 -","4","1","","Mikata, Yuji; Murakami, Kana; Ochi, Ayaka; Nakagaki, Fumie; Naito, Kyoko; Matsumoto, Arimasa; Mitsuhashi, Ryoji; Mikuriya, Masahiro","Conversion of (µ-OH)2Mn2(II,II) complex to (µ-O)2Mn2(III,III) core supported by a quinoxaline-based tetranitrogen ligand","Inorganica Chimica Acta","2020","509","","119688","","10.1016/j.ica.2020.119688","","","0.71075","MoKα","","0.0728","0.0644","","","0.1596","0.1645","","","","","","1.159","","","","has coordinates","268299","2021-08-30","11:20:13",""
"1564454","4.7613","0.0019","9.549","0.004","21.938","0.009","90","","95.825","0.004","90","","992.3","0.7","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N6 -","- C22 H24 N6 -","- C44 H48 N12 -","2","0.5","","Mikata, Yuji; Murakami, Kana; Ochi, Ayaka; Nakagaki, Fumie; Naito, Kyoko; Matsumoto, Arimasa; Mitsuhashi, Ryoji; Mikuriya, Masahiro","Conversion of (µ-OH)2Mn2(II,II) complex to (µ-O)2Mn2(III,III) core supported by a quinoxaline-based tetranitrogen ligand","Inorganica Chimica Acta","2020","509","","119688","","10.1016/j.ica.2020.119688","","","0.7107","MoKα","","0.0698","0.0543","","","0.1252","0.1367","","","","","","1.152","","","","has coordinates","268300","2021-08-30","11:21:08",""
"1564457","10.419","0.002","27.922","0.007","8.106","0.0019","90","","111.222","0.004","90","","2198.3","0.9","175","","175","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- B4 Cu H24 N4 O13 -","- B4 Cu H24 N4 O13 -","- B24 Cu6 H144 N24 O78 -","6","1.5","","Avdeeva, Varvara V.; Malinina, Elena A.; Vologzhanina, Anna V.; Sivaev, Igor B.; Kuznetsov, Nikolay T.","Formation of oxidopolyborates in destruction of the [B11H14]‒ anion promoted by transition metals","Inorganica Chimica Acta","2020","509","","119693","","10.1016/j.ica.2020.119693","","","0.71073","MoKα","","0.0421","0.0338","","","0.0729","0.0764","","","","","","1.025","","","","has coordinates,has disorder","268304","2021-08-31","06:42:49",""
"1564458","10.3336","0.0013","11.0661","0.0014","16.462","0.002","102.982","0.002","95.93","0.002","110.838","0.002","1679.3","0.4","175","2","175","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 B5 Cu N5 O13 -","- C28 H28 B5 Cu N5 O13 -","- C56 H56 B10 Cu2 N10 O26 -","2","1","","Avdeeva, Varvara V.; Malinina, Elena A.; Vologzhanina, Anna V.; Sivaev, Igor B.; Kuznetsov, Nikolay T.","Formation of oxidopolyborates in destruction of the [B11H14]‒ anion promoted by transition metals","Inorganica Chimica Acta","2020","509","","119693","","10.1016/j.ica.2020.119693","","","0.71073","MoKα","","0.1074","0.0658","","","0.1681","0.1903","","","","","","1.038","","","","has coordinates,has disorder","268305","2021-08-31","06:43:56",""
"1564459","22.8907","0.0012","12.7373","0.0007","29.9242","0.0015","90","","101.72","0.001","90","","8543","0.8","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H42 B5 Cl N7 Ni O15 -","- C35 H42 B5 Cl N7 Ni O15 -","- C280 H336 B40 Cl8 N56 Ni8 O120 -","8","1","","Avdeeva, Varvara V.; Malinina, Elena A.; Vologzhanina, Anna V.; Sivaev, Igor B.; Kuznetsov, Nikolay T.","Formation of oxidopolyborates in destruction of the [B11H14]‒ anion promoted by transition metals","Inorganica Chimica Acta","2020","509","","119693","","10.1016/j.ica.2020.119693","","","0.71073","MoKα","","0.0698","0.0458","","","0.105","0.1174","","","","","","1.029","","","","has coordinates,has disorder","268306","2021-08-31","06:45:30",""
"1564460","10.723","0.002","14.463","0.002","14.764","0.003","65.412","0.009","85.717","0.011","70.606","0.01","1958.5","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 B5 N2 O13 P -","- C30 H40 B5 N2 O13 P -","- C60 H80 B10 N4 O26 P2 -","2","1","","Avdeeva, Varvara V.; Malinina, Elena A.; Vologzhanina, Anna V.; Sivaev, Igor B.; Kuznetsov, Nikolay T.","Formation of oxidopolyborates in destruction of the [B11H14]‒ anion promoted by transition metals","Inorganica Chimica Acta","2020","509","","119693","","10.1016/j.ica.2020.119693","","","0.71073","MoKα","","0.13","0.0851","","","0.2342","0.2779","","","","","","1.039","","","","has coordinates,has disorder","268307","2021-08-31","06:46:35",""
"1564461","9.068","0.0002","15.9682","0.0003","15.5111","0.0003","90","","105.816","0.001","90","","2160.97","0.08","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 B2 Cd2 N8 O14 S2 -","- C40 H38 B2 Cd2 N8 O14 S2 -","- C80 H76 B4 Cd4 N16 O28 S4 -","2","0.5","","Avdeeva, Varvara V.; Malinina, Elena A.; Vologzhanina, Anna V.; Sivaev, Igor B.; Kuznetsov, Nikolay T.","Formation of oxidopolyborates in destruction of the [B11H14]‒ anion promoted by transition metals","Inorganica Chimica Acta","2020","509","","119693","","10.1016/j.ica.2020.119693","","","0.71073","MoKα","","0.0264","0.0201","","","0.0478","0.0506","","","","","","1.026","","","","has coordinates","268308","2021-08-31","06:47:47",""
"1564462","10.0315","0.0008","10.537","0.002","10.919","0.004","117.164","0.007","91.324","0.008","104.706","0.008","980.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Cd2 F4 N4 O12 -","- C40 H32 Cd2 F4 N4 O12 -","- C40 H32 Cd2 F4 N4 O12 -","1","0.5","","Öztürkkan Özbek, Füreya Elif; Sertçelik, Mustafa; Yüksek, Mustafa; Elmalı, Ayhan; Şahin, Ertan","The superiority of the classical synthesis compared to the hydrothermal synthesis upon the structural, optical absorption and fluorescent properties of new Cd(II) 3-fluorobenzoate complexes with Pyridine-3-carboxamide/Pyridine-3-carboxylate","Inorganica Chimica Acta","2020","509","","119694","","10.1016/j.ica.2020.119694","","","0.71073","MoKα","","0.0413","0.0378","","","0.0912","0.0945","","","","","","1.212","","","","has coordinates","268309","2021-08-31","06:55:38",""
"1564463","7.617","0.002","12.324","0.003","12.354","0.004","62.91","0.03","82.87","0.04","79.41","0.03","1013.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Cd2 F4 N4 O12 -","- C40 H32 Cd2 F4 N4 O12 -","- C40 H32 Cd2 F4 N4 O12 -","1","0.5","","Öztürkkan Özbek, Füreya Elif; Sertçelik, Mustafa; Yüksek, Mustafa; Elmalı, Ayhan; Şahin, Ertan","The superiority of the classical synthesis compared to the hydrothermal synthesis upon the structural, optical absorption and fluorescent properties of new Cd(II) 3-fluorobenzoate complexes with Pyridine-3-carboxamide/Pyridine-3-carboxylate","Inorganica Chimica Acta","2020","509","","119694","","10.1016/j.ica.2020.119694","","","0.71073","MoKα","","0.1097","0.0595","","","0.1474","0.1772","","","","","","1.063","","","","has coordinates","268309","2021-08-31","06:55:39",""
"1564464","7.8591","0.0013","8.2007","0.0012","11.475","0.002","81.994","0.006","72.138","0.005","75.628","0.004","680.29","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Cd F N O5 -","- C13 H10 Cd F N O5 -","- C26 H20 Cd2 F2 N2 O10 -","2","1","","Öztürkkan Özbek, Füreya Elif; Sertçelik, Mustafa; Yüksek, Mustafa; Elmalı, Ayhan; Şahin, Ertan","The superiority of the classical synthesis compared to the hydrothermal synthesis upon the structural, optical absorption and fluorescent properties of new Cd(II) 3-fluorobenzoate complexes with Pyridine-3-carboxamide/Pyridine-3-carboxylate","Inorganica Chimica Acta","2020","509","","119694","","10.1016/j.ica.2020.119694","","","0.71073","MoKα","","0.0327","0.0292","","","0.0731","0.0758","","","","","","1.205","","","","has coordinates","268309","2021-08-31","06:55:39",""
"1564465","12.5391","0.0004","13.7594","0.0004","11.078","0.0003","90","","105.774","0.003","90","","1839.32","0.1","120.03","0.1","120.03","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cu2 N4 O3 -","- C20 H18 Cu2 N4 O3 -","- C80 H72 Cu8 N16 O12 -","4","1","","Zarei, Leila; Asadi, Zahra; Samolova, Erika; Dusek, Michal; Amirghofran, Zahra","Pyrazolate as bridging ligand in stabilization of self-assemble Cu(II) Schiff base complexes: Synthesis, structural investigations, DNA/protein (BSA) binding and growth inhibitory effects on the MCF7, CT-26, MDA-MB-231 cell lines","Inorganica Chimica Acta","2020","509","","119674","","10.1016/j.ica.2020.119674","","x-ray","0.71073","MoKα","","0.0337","0.0248","","","0.0586","0.061","","","","1.6","1.6","1.52","","","","has coordinates","268310","2021-08-31","07:07:48",""
"1564466","12.2204","0.0008","16.7035","0.0011","23.3466","0.0016","78.448","0.002","80.551","0.002","78.448","0.002","4536.1","0.5","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- Co3 H61 Na14 O99.5 P2 W18 -","- Co3 Na14 O99.492 P2 W18 -","- Co6 Na28 O198.984 P4 W36 -","2","1","","Rehan, Kanwar; Asma, Maliha; McMillen, Colin D.; Sokolov, Andrei; Sohail, Manzar; Sher, Muhammad; Shafique, Munib Ahmed; Bukhari, Naheed; Tirmizi, Syed Ahmad","Synthesis, structure, and properties of the multinuclear cobalt core POM Na14[Co3O(H2O)(A-α-PW9O34)2]·~29.5H2O","Inorganica Chimica Acta","2020","509","","119690","","10.1016/j.ica.2020.119690","","","0.71073","MoKα","","0.0355","0.0282","","","0.0668","0.0701","","","","","","1.051","","","","has coordinates,has disorder","268311","2021-08-31","07:30:21",""
"1564467","4.0753","0.0015","13.119","0.003","13.178","0.003","69.737","0.014","81.1","","81.06","","649","0.3","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 Cu N6 O10 -","- C24 H28 Cu N6 O10 -","- C24 H28 Cu N6 O10 -","1","0.5","","Yu, Meng; Zhang, Yu; Pan, Ying-Qi; Wang, Li","Two novel copper(II) salamo-based complexes: Syntheses, X-ray crystal structures, spectroscopic properties and Hirshfeld surfaces analyses","Inorganica Chimica Acta","2020","509","","119701","","10.1016/j.ica.2020.119701","","","0.71073","MoKα","","0.1047","0.0754","","","0.162","0.1886","","","","","","1.007","","","","has coordinates","268312","2021-08-31","07:34:50",""
"1564468","13.5463","0.0011","24.841","0.002","11.6264","0.0009","90","","107.709","0.002","90","","3726.9","0.5","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cu N4 O9 -","- C17 H16 Cu N4 O9 -","- C136 H128 Cu8 N32 O72 -","8","2","","Yu, Meng; Zhang, Yu; Pan, Ying-Qi; Wang, Li","Two novel copper(II) salamo-based complexes: Syntheses, X-ray crystal structures, spectroscopic properties and Hirshfeld surfaces analyses","Inorganica Chimica Acta","2020","509","","119701","","10.1016/j.ica.2020.119701","","","0.71073","MoKα","","0.1063","0.0682","","","0.1242","0.1401","","","","","","1.119","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1564469","17.6596","0.0006","15.2619","0.0005","22.6001","0.0011","90","","90","","90","","6091.2","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H25 Cl2 F2 Ir N4 O2 -","- C32 H25 Cl2 F2 Ir N4 O2 -","- C256 H200 Cl16 F16 Ir8 N32 O16 -","8","1","","Liu, Zhuo; Yang, Rui-Lian; Yang, Xiao-Han; Cao, Jing-Lan; Fan, Xu-Ru; Wu, Shui-Xing; Niu, Zhi-Gang; Li, Gao-Nan","New yellow-emitting iridium(III) complexes containing 2-phenyl-2H-indazole-based ligands for high efficient OLEDs with EQE over 25%","Inorganica Chimica Acta","2020","509","","119704","","10.1016/j.ica.2020.119704","","","0.71073","MoKα","","0.1486","0.0828","","","0.2219","0.2548","","","","","","0.999","","","","has coordinates","268313","2021-08-31","07:39:49",""
"1564470","20.4487","0.001","5.2605","0.0003","18.3325","0.0009","90","","96.546","0.002","90","","1959.18","0.18","100","2","100","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C34 H46 N4 O14 S2 Zn -","- C34 H46 N4 O14 S2 Zn -","- C68 H92 N8 O28 S4 Zn2 -","2","0.5","","García-García, Amalia; Echenique-Errandonea, Estitxu; Cepeda, Javier; Choquesillo-Lazarte, Duane; Seco, José M.; Salinas-Castillo, Alfonso; Sánchez-Moreno, Manuel; Méndez-Arriaga, José M.; Rodríguez-Diéguez, Antonio","Photoluminescence and in vitro cytotoxicity analysis in a novel mononuclear Zn(II) coordination compound based on bumetanide","Inorganica Chimica Acta","2020","509","","119708","","10.1016/j.ica.2020.119708","","","1.54178","CuKα","","0.073","0.0667","","","0.1744","0.1811","","","","","","1.094","","","","has coordinates","268314","2021-08-31","07:53:33",""
"1564471","8.801","0.0001","17.1118","0.0002","10.4302","0.0001","90","","92.78","0.001","90","","1568.95","0.03","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32.58 H32.31 Cl Mn N4 O6.58 -","- C32.578 H32.312 Cl Mn N4 O6.578 -","- C65.156 H64.624 Cl2 Mn2 N8 O13.156 -","2","1","","Keypour, Hassan; Ansari, Neda; Mahmoudabadi, Masoumeh; Karamian, Roya; Moazzami Farida, Seyed Hamed; Eslami Moghadam, Mahboube; William Gable, Robert","Mn(III), Zn(II) and Pt(II) macroacyclic complexes: Synthesis, X-ray structures, anticancer and antioxidant activities","Inorganica Chimica Acta","2020","509","","119705","","10.1016/j.ica.2020.119705","","x-ray","1.54184","CuKα","","0.0359","0.0353","","","0.089","0.0893","","","","","","1.029","","","","has coordinates","268315","2021-08-31","07:57:32",""
"1564472","10.4651","0.0004","16.0394","0.0006","11.9601","0.0004","90","","96.669","0.004","90","","1993.97","0.13","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Cl1.535 I0.465 N4 Pt -","- C18 H24 Cl1.5347 I0.4653 N4 Pt -","- C72 H96 Cl6.1388 I1.8612 N16 Pt4 -","4","1","","Keypour, Hassan; Ansari, Neda; Mahmoudabadi, Masoumeh; Karamian, Roya; Moazzami Farida, Seyed Hamed; Eslami Moghadam, Mahboube; William Gable, Robert","Mn(III), Zn(II) and Pt(II) macroacyclic complexes: Synthesis, X-ray structures, anticancer and antioxidant activities","Inorganica Chimica Acta","2020","509","","119705","","10.1016/j.ica.2020.119705","","x-ray","0.71073","MoKα","","0.036","0.0258","","","0.0456","0.0491","","","","","","1.035","","","","has coordinates,has disorder","268316","2021-08-31","07:59:00",""
"1564473","8.1878","0.0003","27.6088","0.001","9.0472","0.0003","90","","105.741","0.004","90","","1968.47","0.13","100.2","0.3","100.2","0.3","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C18 H25.45 Cl1.708 I0.292 N4 O0.727 Pt -","- C18 H25.454 Cl1.708 I0.292 N4 O0.727 Pt -","- C72 H101.816 Cl6.832 I1.168 N16 O2.908 Pt4 -","4","1","","Keypour, Hassan; Ansari, Neda; Mahmoudabadi, Masoumeh; Karamian, Roya; Moazzami Farida, Seyed Hamed; Eslami Moghadam, Mahboube; William Gable, Robert","Mn(III), Zn(II) and Pt(II) macroacyclic complexes: Synthesis, X-ray structures, anticancer and antioxidant activities","Inorganica Chimica Acta","2020","509","","119705","","10.1016/j.ica.2020.119705","","x-ray","0.71073","MoKα","","0.023","0.0222","","","0.0542","0.0549","","","","","","1.023","","","","has coordinates,has disorder","268317","2021-08-31","08:00:10",""
"1564474","18.8645","0.0004","8.6136","0.0002","10.2188","0.0002","90","","90.971","0.002","90","","1660.23","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Hg2 N12 O2 S4 -","- C28 H20 Hg2 N12 O2 S4 -","- C56 H40 Hg4 N24 O4 S8 -","2","0.5","","Velásquez, Juan D.; Mahmoudi, Ghodrat; Zangrando, Ennio; Miroslaw, Barbara; Safin, Damir A.; Echeverría, Jorge","Non-covalent interactions induced supramolecular architecture of Hg(NCS)2 with 3-pyridinecarbaldehyde nicotinoylhydrazone","Inorganica Chimica Acta","2020","509","","119700","","10.1016/j.ica.2020.119700","","","0.71073","MoKα","","0.0296","0.0236","","","0.054","0.0547","","","","","","0.976","","","","has coordinates","268318","2021-08-31","08:08:35",""
"1564475","7.8752","0.0003","7.8752","0.0003","25.283","0.002","90","","90","","90","","1568.02","0.15","293","2","293","2","","","","","","","","4","P 42/n m c :2","-P 4ac 2a","137","","","","- In2.6 S2 Se6 Sn1.4 -","- In2.6 S2 Se6 Sn1.4 -","- In5.2 S4 Se12 Sn2.8 -","2","0.125","","Yu, Ji-Ming; Cai, Ting; Ma, Zhong-Jie; Wang, Fei; Wang, Huan; Yu, Ji-Peng; Xiao, Lu-Lu; Cheng, Fang-Fang; Xiong, Wei-Wei","Using thiol-amine solvent mixture to prepare main group heterometallic chalcogenides","Inorganica Chimica Acta","2020","509","","119698","","10.1016/j.ica.2020.119698","","","0.71073","MoKα","","0.1142","0.063","","","0.1705","0.1967","","","","","","1.003","","","","has coordinates,has disorder","268319","2021-08-31","08:41:39",""
"1564476","13.3741","0.0014","28.778","0.002","8.0083","0.0007","90","","90","","90","","3082.2","0.5","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C12.2 H0 In2.8 N3.8 S2 Se6 Sn1.2 -","- C12.2 In2.8 N3.8 S2 Se6 Sn1.2 -","- C48.8 In11.2 N15.2 S8 Se24 Sn4.8 -","4","1","","Yu, Ji-Ming; Cai, Ting; Ma, Zhong-Jie; Wang, Fei; Wang, Huan; Yu, Ji-Peng; Xiao, Lu-Lu; Cheng, Fang-Fang; Xiong, Wei-Wei","Using thiol-amine solvent mixture to prepare main group heterometallic chalcogenides","Inorganica Chimica Acta","2020","509","","119698","","10.1016/j.ica.2020.119698","","","0.71073","MoKα","","0.1656","0.0813","","","0.1383","0.1734","","","","","","1.039","","","","has coordinates","268319","2021-08-31","08:41:42",""
"1564477","21.2157","0.0009","11.3247","0.0005","15.6853","0.0007","90","","90","","90","","3768.6","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 Ge4 In N8 O S13 -","- C12 Ge4 In N8 O S13 -","- C48 Ge16 In4 N32 O4 S52 -","4","0.5","","Yu, Ji-Ming; Cai, Ting; Ma, Zhong-Jie; Wang, Fei; Wang, Huan; Yu, Ji-Peng; Xiao, Lu-Lu; Cheng, Fang-Fang; Xiong, Wei-Wei","Using thiol-amine solvent mixture to prepare main group heterometallic chalcogenides","Inorganica Chimica Acta","2020","509","","119698","","10.1016/j.ica.2020.119698","","","0.71073","MoKα","","0.1603","0.0866","","","0.2165","0.2747","","","","","","1.058","","","","has coordinates","268319","2021-08-31","08:41:52",""
"1564478","24.5715","0.0009","5.7176","0.0002","15.761","0.0006","90","","92.162","0.002","90","","2212.69","0.14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N2 O8 Zn -","- C22 H24 N2 O8 Zn -","- C88 H96 N8 O32 Zn4 -","4","0.5","","Ejarque, Daniel; Sánchez-Férez, Francisco; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Exploring the reactivity of α-Acetamidocinnamic acid and 4-Phenylpyridine with Zn(II) and Cd(II)","Inorganica Chimica Acta","2020","509","","119695","","10.1016/j.ica.2020.119695","","","0.71073","MoKα","","0.0455","0.0309","","","0.0614","0.0659","","","","","","1.063","","","","has coordinates","268320","2021-08-31","08:46:42",""
"1564479","24.7566","0.001","5.6126","0.0002","16.3388","0.0006","90","","98.895","0.002","90","","2242.95","0.15","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Cd N2 O8 -","- C22 H24 Cd N2 O8 -","- C88 H96 Cd4 N8 O32 -","4","0.5","","Ejarque, Daniel; Sánchez-Férez, Francisco; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Exploring the reactivity of α-Acetamidocinnamic acid and 4-Phenylpyridine with Zn(II) and Cd(II)","Inorganica Chimica Acta","2020","509","","119695","","10.1016/j.ica.2020.119695","","","0.71073","MoKα","","0.0198","0.0178","","","0.0453","0.0463","","","","","","1.102","","","","has coordinates","268321","2021-08-31","08:47:49",""
"1564480","19.0159","0.0008","5.6182","0.0002","22.2031","0.001","90","","101.525","0.002","90","","2324.24","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 N4 O11 Zn -","- C44 H42 N4 O11 Zn -","- C88 H84 N8 O22 Zn2 -","2","0.5","","Ejarque, Daniel; Sánchez-Férez, Francisco; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Exploring the reactivity of α-Acetamidocinnamic acid and 4-Phenylpyridine with Zn(II) and Cd(II)","Inorganica Chimica Acta","2020","509","","119695","","10.1016/j.ica.2020.119695","","","0.71073","MoKα","","0.0598","0.0514","","","0.1518","0.1603","","","","","","1.073","","","","has coordinates,has disorder","268322","2021-08-31","08:49:05",""
"1564481","10.1812","0.0004","18.3797","0.0007","22.5622","0.0009","90","","96.937","0.001","90","","4191.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Cd0.5 N2 O3.5 -","- C23 H22 Cd0.5 N2 O3.5 -","- C184 H176 Cd4 N16 O28 -","8","2","","Ejarque, Daniel; Sánchez-Férez, Francisco; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Exploring the reactivity of α-Acetamidocinnamic acid and 4-Phenylpyridine with Zn(II) and Cd(II)","Inorganica Chimica Acta","2020","509","","119695","","10.1016/j.ica.2020.119695","","","0.71073","MoKα","","0.0657","0.0355","","","0.0649","0.0731","","","","","","1.022","","","","has coordinates","268323","2021-08-31","08:50:18",""
"1564483","14.8071","0.0007","9.117","0.0004","31.0718","0.0015","90","","100.694","0.003","90","","4121.7","0.3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H40 N8 Ni O3 S2 -","- C43 H40 N8 Ni O3 S2 -","- C172 H160 N32 Ni4 O12 S8 -","4","1","","Mahmoudi, Ghodrat; Zangrando, Ennio; Frontera, Antonio; Gurbanov, Atash V.; Safin, Damir A.","New metal chelate constructed from Ni(NCS)2 and 1,2-diphenyl-1,2-bis((phenyl(pyridin-2-yl)methylene)hydrazono)ethane","Inorganica Chimica Acta","2020","509","","119707","","10.1016/j.ica.2020.119707","","","0.71073","MoKα","","0.0781","0.044","","","0.095","0.1086","","","","","","1.026","","","","has coordinates","268325","2021-08-31","08:55:25",""
"1564484","9.3569","0.0005","6.9192","0.0003","19.6414","0.0009","90","","90.121","0.003","90","","1271.63","0.11","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Cu N2 O5 -","- C12 H9 Cu N2 O5 -","- C48 H36 Cu4 N8 O20 -","4","1","","Dana, Farshid; Soleimannejad, Janet; Moghzi, Faezeh; Taherzade, Seyed Dariush; Janczak, Jan","A new stable and reusable nanoscale Cu(II) coordination polymer as an efficient dye adsorbent","Inorganica Chimica Acta","2020","509","","119716","","10.1016/j.ica.2020.119716","","","0.71073","MoKα","","0.0743","0.0431","","","0.0778","0.0873","","","","","","1","","","","has coordinates","268326","2021-08-31","09:25:01",""
"1564485","21.4608","0.0004","21.4608","0.0004","14.8972","0.0003","90","","90","","120","","5941.9","0.2","93","2","93","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C40 H102 Cl5.01 F0 Mo6 N19 O38.04 Ti -","- C40 H102 Cl5.01 Mo6 N19 O38.04 Ti -","- C120 H305.999 Cl15.03 Mo18 N57 O114.12 Ti3 -","3","0.333333","","Sugiarto,; Kazakami, Shota; Kawamoto, Keisuke; Hayashi, Yoshihito","Stabilization of titanium(IV) and indium(III) complexes by coordination of [MoO3(1,4,7-triazacyclononane)] metalloligand in aqueous solution","Inorganica Chimica Acta","2020","509","","119691","","10.1016/j.ica.2020.119691","","","1.54178","CuKα","","0.048","0.0442","","","0.1117","0.114","","","","","","1.047","","","","has coordinates","268327","2021-08-31","09:29:56",""
"1564486","22.041","0.0012","22.041","0.0012","14.5043","0.0008","90","","90","","120","","6102.2","0.6","93","2","93","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C36 H90 Cl6 In2 Mo6 N18 O45 -","- C36 H96 Cl6 In2 Mo6 N18 O45.9999 -","- C108 H288 Cl18 In6 Mo18 N54 O138 -","3","0.333333","","Sugiarto,; Kazakami, Shota; Kawamoto, Keisuke; Hayashi, Yoshihito","Stabilization of titanium(IV) and indium(III) complexes by coordination of [MoO3(1,4,7-triazacyclononane)] metalloligand in aqueous solution","Inorganica Chimica Acta","2020","509","","119691","","10.1016/j.ica.2020.119691","","","1.54178","CuKα","","0.0559","0.0556","","","0.146","0.1464","","","","","","0.936","","","","has coordinates,has disorder","268327","2021-08-31","09:29:57",""
"1564487","23.8266","0.0004","11.62179","0.00016","15.2014","0.0002","90","","106.68","0.0017","90","","4032.26","0.11","130","1","130","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C176 H160 N32 O32 -","16","4","","Banti, C.N.; Ketikidis, I.; Hadjikakou, S.K.; Hatzidimitriou, A.G.; Grześkiewicz, A.M.; Kubicki, M.; Hadjiliadis, N.","Study of penicillin degradation mechanism upon interaction with silver(I) ions","Inorganica Chimica Acta","2020","509","","119683","","10.1016/j.ica.2020.119683","","x-ray","1.54184","CuKα","","0.0535","0.0532","","","0.1417","0.1422","","","","","","1.029","","","","has coordinates","268328","2021-08-31","09:40:43",""
"1564488","5.8137","0.0017","15.8848","0.0019","17.238","0.003","90","","90","","90","","1591.9","0.6","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O4 S -","- C16 H18 N2 O4 S -","- C64 H72 N8 O16 S4 -","4","1","","Banti, C.N.; Ketikidis, I.; Hadjikakou, S.K.; Hatzidimitriou, A.G.; Grześkiewicz, A.M.; Kubicki, M.; Hadjiliadis, N.","Study of penicillin degradation mechanism upon interaction with silver(I) ions","Inorganica Chimica Acta","2020","509","","119683","","10.1016/j.ica.2020.119683","","","0.71073","MoKα","","0.0955","0.0575","","0.12","0.1009","0.1009","","","","","","0.9997","","","","has coordinates","268328","2021-08-31","09:40:44",""
"1564499","12.6653","0.0012","27.532","0.003","30.342","0.003","90","","114.672","0.003","90","","9614.4","1.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C103 H77 B3 Cu4 F12 N8 O14 -","- C103 H77 B3 Cu4 F12 N8 O14 -","- C412 H308 B12 Cu16 F48 N32 O56 -","4","1","","Liu, Kuan-Guan; Yao, Zi-Xuan; Li, Jing-Zhe; Yan, Xiao-Wei","Target design and synthesis of three naphthyl-functionalized Copper(II) coordination compounds for their photothermal properties","Inorganica Chimica Acta","2020","508","","119608","","10.1016/j.ica.2020.119608","","","0.71073","MoKα","","0.106","0.0912","","","0.2258","0.2354","","","","","","1.102","","","","has coordinates,has disorder","268342","2021-09-01","08:12:23",""
"1564500","12.1975","0.0009","12.4104","0.0009","17.8547","0.0014","70.223","0.002","88.709","0.002","72.112","0.002","2410.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Cu2(NEA)4(CH3CN)4","","","- C56 H48 Cu2 N4 O8 -","- C56 H48 Cu2 N4 O8 -","- C112 H96 Cu4 N8 O16 -","2","1","","Liu, Kuan-Guan; Yao, Zi-Xuan; Li, Jing-Zhe; Yan, Xiao-Wei","Target design and synthesis of three naphthyl-functionalized Copper(II) coordination compounds for their photothermal properties","Inorganica Chimica Acta","2020","508","","119608","","10.1016/j.ica.2020.119608","","","0.71073","MoKα","","0.0535","0.0396","","","0.0893","0.0955","","","","","","1.027","","","","has coordinates","268344","2021-09-01","08:13:34",""
"1564501","36.7458","0.0018","10.2985","0.0005","27.4148","0.0014","90","","110.839","0.001","90","","9695.8","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cu2(NeA)4(CH3CN)2.2.5CH3CN","","","- C53 H37 Cu2 N4.5 O8 -","- C53 H37 Cu2 N4.5005 O8 -","- C424 H296 Cu16 N36.004 O64 -","8","1","","Liu, Kuan-Guan; Yao, Zi-Xuan; Li, Jing-Zhe; Yan, Xiao-Wei","Target design and synthesis of three naphthyl-functionalized Copper(II) coordination compounds for their photothermal properties","Inorganica Chimica Acta","2020","508","","119608","","10.1016/j.ica.2020.119608","","","0.71073","MoKα","","0.069","0.0506","","","0.1351","0.1464","","","","","","1.035","","","","has coordinates,has disorder","268345","2021-09-01","08:14:48",""
"1564502","7.625","0.004","16.759","0.008","32.601","0.016","90","","90","","90","","4166","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H19 Cl2 N7 O6 Zn -","- C14 H19 Cl2 N7 O6 Zn -","- C112 H152 Cl16 N56 O48 Zn8 -","8","1","","Soliman, Saied M.; Elsilk, Sobhy E.; El-Faham, Ayman","Synthesis, structure and biological activity of zinc(II) pincer complexes with 2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine","Inorganica Chimica Acta","2020","508","","119627","","10.1016/j.ica.2020.119627","","","0.71073","MoKα","","0.0373","0.0322","","","0.0928","0.0971","","","","","","1.044","","","","has coordinates,has disorder","268346","2021-09-01","08:21:18",""
"1564503","14.508","0.0005","8.4326","0.0002","16.2855","0.0005","90","","101.904","0.001","90","","1949.52","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N9 O7 Zn -","- C14 H17 N9 O7 Zn -","- C56 H68 N36 O28 Zn4 -","4","1","","Soliman, Saied M.; Elsilk, Sobhy E.; El-Faham, Ayman","Synthesis, structure and biological activity of zinc(II) pincer complexes with 2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine","Inorganica Chimica Acta","2020","508","","119627","","10.1016/j.ica.2020.119627","","","0.71073","MoKα","","0.0569","0.0348","","","0.0782","0.086","","","","","","1.01","","","","has coordinates","268346","2021-09-01","08:21:19",""
"1564504","15.028","0.009","8.302","0.005","24.003","0.015","90","","95.71","0.015","90","","2980","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Cl2 N4 Zn -","- C10 H16 Cl2 N4 Zn -","- C80 H128 Cl16 N32 Zn8 -","8","1","","Soliman, Saied M.; Elsilk, Sobhy E.; El-Faham, Ayman","Synthesis, structure and biological activity of zinc(II) pincer complexes with 2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine","Inorganica Chimica Acta","2020","508","","119627","","10.1016/j.ica.2020.119627","","","0.71073","MoKα","","0.0369","0.0289","","","0.0715","0.0753","","","","","","1.043","","","","has coordinates","268346","2021-09-01","08:21:19",""
"1564505","8.2043","0.0003","25.7781","0.0008","7.8686","0.0002","90","","118.463","0.0017","90","","1462.98","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl2 Cu2 N4 O2 -","- C34 H26 Cl2 Cu2 N4 O2 -","- C68 H52 Cl4 Cu4 N8 O4 -","2","0.5","","Thamilarasan, V.; Revathi, P.; Praveena, A.; Kim, Jinheung; Chandramohan, Vivek; Sengottuvelan, N.","Synthesis and characterization of dimeric Schiff base CoII, NiII, CuII complexes for their catalytic application of aerobic oxidation of alcohol and interaction with biomolecules","Inorganica Chimica Acta","2020","508","","119626","","10.1016/j.ica.2020.119626","","","0.71073","MoKα","","0.0426","0.0321","","","0.0661","0.0701","","","","","","1.103","","","","has coordinates","268347","2021-09-01","08:25:08",""
"1564506","10.2854","0.0017","39.205","0.006","11.94","0.002","90","","90","","90","","4814.7","1.4","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H22 Cu N8 O2 -","- C26 H22 Cu N8 O2 -","- C208 H176 Cu8 N64 O16 -","8","1","","Santiago, Pedro H.O.; Santiago, Mariana B.; Martins, Carlos H.G.; Gatto, Claudia C.","Copper(II) and zinc(II) complexes with Hydrazone: Synthesis, crystal structure, Hirshfeld surface and antibacterial activity","Inorganica Chimica Acta","2020","508","","119632","","10.1016/j.ica.2020.119632","","","0.71073","MoKα","","0.1536","0.0641","","","0.1269","0.1712","","","","","","1.025","","","","has coordinates","268348","2021-09-01","08:33:20",""
"1564507","10.3365","0.0011","12.0055","0.0013","39.117","0.004","90","","90","","90","","4854.2","0.9","273","2","273.15","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C26 H22 N8 O2 Zn -","- C26 H22 N8 O2 Zn -","- C208 H176 N64 O16 Zn8 -","8","1","","Santiago, Pedro H.O.; Santiago, Mariana B.; Martins, Carlos H.G.; Gatto, Claudia C.","Copper(II) and zinc(II) complexes with Hydrazone: Synthesis, crystal structure, Hirshfeld surface and antibacterial activity","Inorganica Chimica Acta","2020","508","","119632","","10.1016/j.ica.2020.119632","","","0.71073","MoKα","","0.111","0.0523","","","0.1025","0.1275","","","","","","1.027","","","","has coordinates","268348","2021-09-01","08:33:28",""
"1564508","8.6985","0.0011","8.7793","0.0011","12.6496","0.0016","94.723","0.003","96.994","0.003","118.855","0.002","828.64","0.18","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H16 Cl2 Cu N4 O3 -","- C13 H16 Cl2 Cu N4 O3 -","- C26 H32 Cl4 Cu2 N8 O6 -","2","1","","Santiago, Pedro H.O.; Santiago, Mariana B.; Martins, Carlos H.G.; Gatto, Claudia C.","Copper(II) and zinc(II) complexes with Hydrazone: Synthesis, crystal structure, Hirshfeld surface and antibacterial activity","Inorganica Chimica Acta","2020","508","","119632","","10.1016/j.ica.2020.119632","","","0.71073","MoKα","","0.0546","0.0353","","","0.0774","0.0827","","","","","","1.118","","","","has coordinates","268348","2021-09-01","08:33:32",""
"1564509","8.8985","0.0011","8.9337","0.0011","12.8937","0.0016","95.985","0.002","97.046","0.002","119.341","0.002","870.61","0.19","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H16 Br2 Cu N4 O3 -","- C13 H16 Br2 Cu N4 O3 -","- C26 H32 Br4 Cu2 N8 O6 -","2","1","","Santiago, Pedro H.O.; Santiago, Mariana B.; Martins, Carlos H.G.; Gatto, Claudia C.","Copper(II) and zinc(II) complexes with Hydrazone: Synthesis, crystal structure, Hirshfeld surface and antibacterial activity","Inorganica Chimica Acta","2020","508","","119632","","10.1016/j.ica.2020.119632","","","0.71073","MoKα","","0.0583","0.0338","","","0.0718","0.0792","","","","","","1.082","","","","has coordinates","268348","2021-09-01","08:33:35",""
"1564510","14.797","0.007","16.179","0.008","16.859","0.007","70.283","0.019","73.998","0.019","79.183","0.019","3632","3","293.15","0.02","293.15","0.02","","","","","","","","8","P -1","-P 1","2","","","","- C96 H64 Cl4 Cu4 N16 O40 P W12 -","- C96 H64 Cl4 Cu4 N16 O40 P W12 -","- C96 H64 Cl4 Cu4 N16 O40 P W12 -","1","0.5","","Guo, Hong; Yu, Zhaoqiang; Su, Yajun; Jiang, Xin-Dong","Synthesis of a novel 3D supramolecular hybrid via in situ self-assembly for the degradation of organic dyes","Inorganica Chimica Acta","2020","508","","119625","","10.1016/j.ica.2020.119625","","x-ray","0.71075","MoKα","","0.1553","0.1247","","","0.3258","0.362","","","","","","1.044","","","","has coordinates,has disorder","268349","2021-09-01","08:38:30",""
"1564551","11.4211","0.0005","14.8838","0.0008","12.3249","0.0007","90","","108.247","0.002","90","","1989.75","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H56 Hg2 N4 S8 -","- C28 H56 Hg2 N4 S8 -","- C56 H112 Hg4 N8 S16 -","2","0.5","","Rodina, Tatyana A.; Loseva, Olga V.; Smolentsev, Anton I.; Antzutkin, Oleg N.; Ivanov, Alexander V.","Crystal structure, solid-state 13C and 15N NMR characterisation, chemisorption activity and thermal behaviour of new mercury(II) dipropyldithiocarbamate: Binuclear, pseudo-binuclear and heteronuclear complexes of [Hg2(PrDtc)4], [Hg(PrDtc)2]2 and [Au(PrDtc)2]2[Hg2Cl6]","Inorganica Chimica Acta","2020","508","","119630","","10.1016/j.ica.2020.119630","","","0.71073","MoKα","","0.0318","0.024","","","0.051","0.0526","","","","","","1.07","","","","has coordinates","268996","2021-09-07","06:45:50",""
"1564552","10.5935","0.0005","11.3692","0.0005","16.9616","0.0008","90","","94.076","0.002","90","","2037.68","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 Hg N2 S4 -","- C14 H28 Hg N2 S4 -","- C56 H112 Hg4 N8 S16 -","4","1","","Rodina, Tatyana A.; Loseva, Olga V.; Smolentsev, Anton I.; Antzutkin, Oleg N.; Ivanov, Alexander V.","Crystal structure, solid-state 13C and 15N NMR characterisation, chemisorption activity and thermal behaviour of new mercury(II) dipropyldithiocarbamate: Binuclear, pseudo-binuclear and heteronuclear complexes of [Hg2(PrDtc)4], [Hg(PrDtc)2]2 and [Au(PrDtc)2]2[Hg2Cl6]","Inorganica Chimica Acta","2020","508","","119630","","10.1016/j.ica.2020.119630","","","0.71073","MoKα","","0.0547","0.0328","","","0.0623","0.0673","","","","","","1.001","","","","has coordinates","268996","2021-09-07","06:45:51",""
"1564553","10.0829","0.0006","10.2365","0.0006","12.7769","0.0008","79.786","0.002","69.074","0.002","89.732","0.002","1209.78","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H56 Au2 Cl6 Hg2 N4 S8 -","- C28 H56 Au2 Cl6 Hg2 N4 S8 -","- C28 H56 Au2 Cl6 Hg2 N4 S8 -","1","0.5","","Rodina, Tatyana A.; Loseva, Olga V.; Smolentsev, Anton I.; Antzutkin, Oleg N.; Ivanov, Alexander V.","Crystal structure, solid-state 13C and 15N NMR characterisation, chemisorption activity and thermal behaviour of new mercury(II) dipropyldithiocarbamate: Binuclear, pseudo-binuclear and heteronuclear complexes of [Hg2(PrDtc)4], [Hg(PrDtc)2]2 and [Au(PrDtc)2]2[Hg2Cl6]","Inorganica Chimica Acta","2020","508","","119630","","10.1016/j.ica.2020.119630","","","0.71073","MoKα","","0.0179","0.0165","","","0.0383","0.0386","","","","","","1.053","","","","has coordinates,has disorder","268996","2021-09-07","06:45:51",""
"1564554","8.747","0.0003","19.4254","0.0007","11.6497","0.0004","90","","90.89","0.001","90","","1979.21","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 Dy2 O26 Pt2 -","- C24 H42 Dy2 O26 Pt2 -","- C48 H84 Dy4 O52 Pt4 -","2","0.5","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.71073","MoKα","","0.0261","0.0227","","","0.0423","0.0431","","","","","","1.085","","","","has coordinates","268997","2021-09-07","06:55:30",""
"1564555","8.798","0.0018","19.483","0.004","11.688","0.002","90","","90.993","0.014","90","","2003.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 Er2 O26 Pt2 -","- C24 H42 Er2 O26 Pt2 -","- C48 H84 Er4 O52 Pt4 -","2","0.5","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.96989","synchrotron","","0.0352","0.0265","","","0.0626","0.0735","","","","","","1.098","","","","has coordinates","268998","2021-09-07","06:57:46",""
"1564556","7.227","0.0011","8.67","0.0005","12.896","0.0011","84.503","0.006","84.73","0.02","73.6","0.01","769.82","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H15 In O10 Pt -","- C10 H15 In O10 Pt -","- C20 H30 In2 O20 Pt2 -","2","1","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.80241","synchrotron","","0.0315","0.0311","","","0.0853","0.0856","","","","","","1.099","","","","has coordinates","268999","2021-09-07","06:59:29",""
"1564557","8.804","0.0018","19.738","0.003","11.84","0.0016","90","","90.927","0.017","90","","2057.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 Nd2 O26 Pt2 -","- C24 H42 Nd2 O26 Pt2 -","- C48 H84 Nd4 O52 Pt4 -","2","0.5","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.96989","synchrotron","","0.0437","0.0308","","","0.0669","0.0738","","","","","","1.131","","","","has coordinates","269000","2021-09-07","07:01:52",""
"1564558","8.2192","0.0002","9.3793","0.0002","12.8044","0.0002","84.1599","0.0007","75.8047","0.0007","86.4145","0.0007","951.27","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H44 Ni2 O26 Pt -","- C24 H44 Ni2 O26 Pt -","- C24 H44 Ni2 O26 Pt -","1","0.5","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.71073","MoKα","","0.021","0.0206","","","0.0443","0.0445","","","","","","1.057","","","","has coordinates","269001","2021-09-07","07:03:43",""
"1564559","8.1473","0.0002","9.7555","0.0003","13.4296","0.0004","77.6965","0.0009","76.0087","0.0009","70.3974","0.0008","965.48","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Ni O13 Pt -","- C12 H22 Ni O13 Pt -","- C24 H44 Ni2 O26 Pt2 -","2","1","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.71073","MoKα","","0.0204","0.0197","","","0.0501","0.0504","","","","","","1.219","","","","has coordinates","269002","2021-09-07","07:05:40",""
"1564560","8.776","0.0018","19.571","0.004","11.763","0.002","90","","90.916","0.014","90","","2020.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 O26 Pt2 Sm2 -","- C24 H42 O26 Pt2 Sm2 -","- C48 H84 O52 Pt4 Sm4 -","2","0.5","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.80246","synchrotron","","0.0364","0.0348","","","0.0913","0.093","","","","","","1.05","","","","has coordinates","269003","2021-09-07","07:07:54",""
"1564561","8.7371","0.0006","19.3417","0.0013","11.5868","0.0008","90","","90.942","0.002","90","","1957.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 O26 Pt2 Yb2 -","- C24 H42 O26 Pt2 Yb2 -","- C48 H84 O52 Pt4 Yb4 -","2","0.5","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.71073","MoKα","","0.0197","0.0172","","","0.0329","0.0335","","","","","","1.07","","","","has coordinates","269004","2021-09-07","07:10:15",""
"1564562","8.8731","0.0006","19.6269","0.0012","11.5782","0.0007","90","","90.894","0.002","90","","2016.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 Lu2 O26 Pt2 -","- C24 H42 Lu2 O26 Pt2 -","- C48 H84 Lu4 O52 Pt4 -","2","0.5","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.71073","MoKα","","0.088","0.0634","","","0.1457","0.1576","","","","","","1.081","","","","has coordinates","269005","2021-09-07","07:11:38",""
"1564563","10.088","0.003","8.065","0.002","18.647","0.003","90","","101.16","0.02","90","","1488.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Mn O8 Pt -","- C11 H15 Mn O8 Pt -","- C44 H60 Mn4 O32 Pt4 -","4","1","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.787","synchrotron","","0.0341","0.0329","","","0.0745","0.0752","","","","","","1.103","","","","has coordinates","269006","2021-09-07","07:13:07",""
"1564564","8.591","0.0017","12.052","0.002","12.22","0.001","113.424","0.013","102.33","0.02","91.729","0.004","1124.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H48 Co2 O30 Pt2 -","- C28 H48 Co2 O30 Pt2 -","- C28 H48 Co2 O30 Pt2 -","1","0.5","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.9699","synchrotron","","0.0521","0.0355","","","0.0827","0.092","","","","","","1.081","","","","has coordinates","269007","2021-09-07","07:14:51",""
"1564565","8.529","0.0017","11.974","0.002","12.244","0.003","113.515","0.006","102.247","0.011","92.457","0.017","1109.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H48 Ni2 O30 Pt2 -","- C28 H48 Ni2 O30 Pt2 -","- C28 H48 Ni2 O30 Pt2 -","1","0.5","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.9699","synchrotron","","0.0457","0.0353","","","0.0859","0.112","","","","","","1.174","","","","has coordinates","269008","2021-09-07","07:15:58",""
"1564566","8.6631","0.0017","9.0829","0.0018","10.801","0.002","82.543","0.016","74.424","0.005","76.944","0.0011","795.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Cd2 O20 Pt2 -","- C20 H32 Cd2 O20 Pt2 -","- C20 H32 Cd2 O20 Pt2 -","1","0.5","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.9699","synchrotron","","0.0501","0.0459","","","0.1114","0.1127","","","","","","1.059","","","","has coordinates","269009","2021-09-07","07:17:31",""
"1564567","8.3916","0.0007","10.7689","0.0008","11.3032","0.0009","93.6818","0.001","101.107","0.001","103.754","0.0011","967.07","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cu O13 Pt -","- C12 H22 Cu O13 Pt -","- C24 H44 Cu2 O26 Pt2 -","2","1","","Yakushev, Ilya A.; Stolarov, Igor P.; Cherkashina, Natalia V.; Churakov, Andrei V.; Zubavichus, Yan V.; Markov, Alexander A.; Gekhman, Alexander E.; Vargaftik, Michael N.","Two routes to platinum-based carboxylate-bridged heterometallics","Inorganica Chimica Acta","2020","508","","119631","","10.1016/j.ica.2020.119631","","","0.71073","MoKα","","0.0197","0.0183","","","0.0422","0.0426","","","","","","1.034","","","","has coordinates","269010","2021-09-07","07:18:59",""
"1564568","7.1349","0.0012","13.9708","0.0019","8.3593","0.0015","90","","90.18","0.007","90","","833.3","0.2","109","2","109.38","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 N4 S -","- C7 H8 N4 S -","- C28 H32 N16 S4 -","4","1","","Sahu, Meman; Kumar Manna, Amit; Rout, Kalyani; Mondal, Jahangir; Patra, Goutam K.","A highly selective thiosemicarbazone based Schiff base chemosensor for colorimetric detection of Cu2+ and Ag+ ions and turn-on fluorometric detection of Ag+ ions","Inorganica Chimica Acta","2020","508","","119633","","10.1016/j.ica.2020.119633","","","0.71073","MoKα","","0.0502","0.0449","","","0.1162","0.1263","","","","","","1.0814","","","","has coordinates","269011","2021-09-07","07:22:54",""
"1564569","19.2412","0.001","11.9416","0.0005","17.396","0.0009","90","","111.166","0.006","90","","3727.4","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H37 Cl4 Ho N8 O10 -","- C34 H37 Cl4 Ho N8 O10 -","- C136 H148 Cl16 Ho4 N32 O40 -","4","0.5","","Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zhen; Zhu, Peng-Yin; Wang, Lu-Lu; Yu, Yu-Ming; Wang, Duo-Zhi","Lanthanide complexes based on the linear bifunctional ligand: Synthesis, structure regulation and magnetic properties","Inorganica Chimica Acta","2020","508","","119593","","10.1016/j.ica.2020.119593","","","0.71073","MoKα","","0.0472","0.0459","","","0.1206","0.1217","","","","","","1.098","","","","has coordinates","269012","2021-09-07","08:08:45",""
"1564570","19.2412","0.001","11.9416","0.0005","17.396","0.0009","90","","111.166","0.006","90","","3727.4","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H37 Cl4 Dy N8 O10 -","- C34 H37 Cl4 Dy N8 O10 -","- C136 H148 Cl16 Dy4 N32 O40 -","4","0.5","","Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zhen; Zhu, Peng-Yin; Wang, Lu-Lu; Yu, Yu-Ming; Wang, Duo-Zhi","Lanthanide complexes based on the linear bifunctional ligand: Synthesis, structure regulation and magnetic properties","Inorganica Chimica Acta","2020","508","","119593","","10.1016/j.ica.2020.119593","","","0.71073","MoKα","","0.0481","0.0467","","","0.1256","0.1267","","","","","","1.079","","","","has coordinates","269013","2021-09-07","08:18:59",""
"1564571","19.2616","0.001","11.993","0.0007","17.4392","0.0011","90","","111.236","0.002","90","","3755","0.4","150","2","149.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 N8 O12 Sm -","- C34 H38 N8 O12 Sm -","- C136 H152 N32 O48 Sm4 -","4","0.5","","Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zhen; Zhu, Peng-Yin; Wang, Lu-Lu; Yu, Yu-Ming; Wang, Duo-Zhi","Lanthanide complexes based on the linear bifunctional ligand: Synthesis, structure regulation and magnetic properties","Inorganica Chimica Acta","2020","508","","119593","","10.1016/j.ica.2020.119593","","","0.71073","MoKα","","0.0382","0.0339","","","0.0823","0.0847","","","","","","1.067","","","","has coordinates","269014","2021-09-07","08:20:51",""
"1564572","19.2186","0.0011","11.9541","0.0007","17.4051","0.0009","90","","111.285","0.002","90","","3725.9","0.4","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 N8 O12 Tb -","- C34 H38 N8 O12 Tb -","- C136 H152 N32 O48 Tb4 -","4","0.5","","Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zhen; Zhu, Peng-Yin; Wang, Lu-Lu; Yu, Yu-Ming; Wang, Duo-Zhi","Lanthanide complexes based on the linear bifunctional ligand: Synthesis, structure regulation and magnetic properties","Inorganica Chimica Acta","2020","508","","119593","","10.1016/j.ica.2020.119593","","","0.71073","MoKα","","0.0384","0.0332","","","0.0786","0.0816","","","","","","1.067","","","","has coordinates","269015","2021-09-07","08:22:55",""
"1564573","16.0211","0.0009","11.9141","0.0006","20.3289","0.0009","90","","101.471","0.002","90","","3802.8","0.3","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H37 N10 O17 Pr -","- C34 H37 N10 O17 Pr -","- C136 H148 N40 O68 Pr4 -","4","1","","Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zhen; Zhu, Peng-Yin; Wang, Lu-Lu; Yu, Yu-Ming; Wang, Duo-Zhi","Lanthanide complexes based on the linear bifunctional ligand: Synthesis, structure regulation and magnetic properties","Inorganica Chimica Acta","2020","508","","119593","","10.1016/j.ica.2020.119593","","","0.71073","MoKα","","0.0557","0.038","","","0.0936","0.1031","","","","","","1.059","","","","has coordinates","269016","2021-09-07","08:25:12",""
"1564574","21.9624","0.0004","21.9624","0.0004","20.8625","0.0011","90","","90","","120","","8714.8","0.5","150","2","150.05","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C153 H117 Cl2 Gd7 N36 O38 -","- C153 H117 Cl2 Gd7 N36 O38 -","- C306 H234 Cl4 Gd14 N72 O76 -","2","0.166667","","Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zhen; Zhu, Peng-Yin; Wang, Lu-Lu; Yu, Yu-Ming; Wang, Duo-Zhi","Lanthanide complexes based on the linear bifunctional ligand: Synthesis, structure regulation and magnetic properties","Inorganica Chimica Acta","2020","508","","119593","","10.1016/j.ica.2020.119593","","","0.71073","MoKα","","0.0566","0.0393","","","0.0929","0.1049","","","","","","1.032","","","","has coordinates,has disorder","269017","2021-09-07","08:31:10",""
"1564575","21.8289","0.0004","21.8289","0.0004","20.8477","0.0005","90","","90","","120","","8603.1","0.3","100","0.1","100","0.1","","","","","","","","5","P 63/m","-P 6c","176","","","","- C153 H132 Ho7 N36 O40.5 -","- C153 H132 Ho7 N36 O40.4996 -","- C306 H263.999 Ho14 N72 O80.9992 -","2","0.166667","","Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zhen; Zhu, Peng-Yin; Wang, Lu-Lu; Yu, Yu-Ming; Wang, Duo-Zhi","Lanthanide complexes based on the linear bifunctional ligand: Synthesis, structure regulation and magnetic properties","Inorganica Chimica Acta","2020","508","","119593","","10.1016/j.ica.2020.119593","","x-ray","0.71073","MoKα","","0.0571","0.0417","","","0.1082","0.1181","","","","","","1.068","","","","has coordinates,has disorder","269018","2021-09-07","08:33:59",""
"1564576","21.8806","0.0005","21.8806","0.0005","20.7765","0.0011","90","","90","","120","","8614.3","0.5","150","2","150","","","","","","","","","5","P 63/m","-P 6c","176","","","","- C153 H102 Dy7 N33 O32 -","- C153 H102 Dy7 N33 O32 -","- C306 H204 Dy14 N66 O64 -","2","0.166667","","Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zhen; Zhu, Peng-Yin; Wang, Lu-Lu; Yu, Yu-Ming; Wang, Duo-Zhi","Lanthanide complexes based on the linear bifunctional ligand: Synthesis, structure regulation and magnetic properties","Inorganica Chimica Acta","2020","508","","119593","","10.1016/j.ica.2020.119593","","","0.71073","MoKα","","0.0628","0.0425","","","0.1","0.1146","","","","","","1.024","","","","has coordinates","269019","2021-09-07","08:37:22",""
"1564577","21.7953","0.0005","21.7953","0.0005","20.9712","0.0013","90","","90","","120","","8627.4","0.6","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C153.01 H105 Er7 N36 O32 -","- C153 H105 Er7 N36 O32 -","- C306 H210 Er14 N72 O64 -","2","0.166667","","Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zhen; Zhu, Peng-Yin; Wang, Lu-Lu; Yu, Yu-Ming; Wang, Duo-Zhi","Lanthanide complexes based on the linear bifunctional ligand: Synthesis, structure regulation and magnetic properties","Inorganica Chimica Acta","2020","508","","119593","","10.1016/j.ica.2020.119593","","","0.71073","MoKα","","0.0833","0.0552","","","0.1416","0.1672","","","","","","1.039","","","","has coordinates,has disorder","269020","2021-09-07","08:38:47",""
"1564578","9.3789","0.0003","7.3342","0.0003","23.3025","0.0008","90","","90","","90","","1602.9","0.1","293","2","293.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H10 Mn3 N4 O12 -","- C10 H10 Mn3 N4 O12 -","- C40 H40 Mn12 N16 O48 -","4","0.5","","Sun, Ping-Ping; Zhang, Yu-Hang; Yu, Xuehua; Shi, Qi; Tian, Bo; Gao, Jun; Shi, Fa-Nian","Cu powder decorated 3D Mn-MOF with excellent electrochemical properties for supercapacitors","Inorganica Chimica Acta","2020","508","","119629","","10.1016/j.ica.2020.119629","","x-ray","0.71073","MoKα","","0.0454","0.0333","","","0.0757","0.0827","","","","","","1.061","","","","has coordinates","269021","2021-09-07","09:19:34",""
"1564579","8.7828","0.0003","17.1305","0.0006","9.9907","0.0003","90","","102.028","0.003","90","","1470.14","0.09","119.96","0.13","119.96","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Mn N6 O6 -","- C30 H36 Mn N6 O6 -","- C60 H72 Mn2 N12 O12 -","2","0.5","","Hasanzadeh Esfahani, Maryam; Behzad, Mahdi; Dusek, Michal; Kucerakova, Monika","Synthesis and characterization of a series of acylpyrazolone transition metal complexes: Crystal structures and catalytic performance in the epoxidation of cyclooctene","Inorganica Chimica Acta","2020","508","","119637","","10.1016/j.ica.2020.119637","","x-ray","1.54184","CuKα","","0.0272","0.0245","","","0.0721","0.0739","","","","1.44","1.44","1.42","","","","has coordinates","269022","2021-09-07","09:29:07",""
"1564580","6.4811","0.0003","7.1952","0.0003","11.4811","0.0009","93.54","0.005","97.432","0.006","96.561","0.004","525.83","0.05","95","0.1","95","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cu N4 O4 -","- C24 H22 Cu N4 O4 -","- C24 H22 Cu N4 O4 -","1","0.5","","Hasanzadeh Esfahani, Maryam; Behzad, Mahdi; Dusek, Michal; Kucerakova, Monika","Synthesis and characterization of a series of acylpyrazolone transition metal complexes: Crystal structures and catalytic performance in the epoxidation of cyclooctene","Inorganica Chimica Acta","2020","508","","119637","","10.1016/j.ica.2020.119637","","x-ray","1.54184","CuKα","","0.0534","0.0388","","","0.1023","0.1219","","","","1.39","1.39","1.4","","","","has coordinates","269022","2021-09-07","09:29:17",""
"1564581","16.1377","0.0005","8.759","0.0002","19.1441","0.0006","90","","110.237","0.003","90","","2538.98","0.14","122.1","0.3","122.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N4 Ni O6 -","- C26 H30 N4 Ni O6 -","- C104 H120 N16 Ni4 O24 -","4","1","","Hasanzadeh Esfahani, Maryam; Behzad, Mahdi; Dusek, Michal; Kucerakova, Monika","Synthesis and characterization of a series of acylpyrazolone transition metal complexes: Crystal structures and catalytic performance in the epoxidation of cyclooctene","Inorganica Chimica Acta","2020","508","","119637","","10.1016/j.ica.2020.119637","","x-ray","1.54184","CuKα","","0.034","0.0307","","","0.0872","0.0898","","","","1.65","1.65","1.61","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1564582","9.263","0.0003","18.2874","0.0006","20.6851","0.0007","71.394","0.003","85.959","0.003","83.585","0.003","3297.8","0.2","95","0.1","95","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H33 Fe N6 O6 -","- C36 H33 Fe N6 O6 -","- C144 H132 Fe4 N24 O24 -","4","2","","Hasanzadeh Esfahani, Maryam; Behzad, Mahdi; Dusek, Michal; Kucerakova, Monika","Synthesis and characterization of a series of acylpyrazolone transition metal complexes: Crystal structures and catalytic performance in the epoxidation of cyclooctene","Inorganica Chimica Acta","2020","508","","119637","","10.1016/j.ica.2020.119637","","x-ray","1.54184","CuKα","","0.0723","0.0428","","","0.1054","0.1226","","","","1.3","1.3","1.22","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1564583","20.2082","0.0007","18.663","0.0008","18.4793","0.0011","90","","90","","90","","6969.4","0.6","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C56 H102 Co2 La N5 O16 -","- C56 H102 Co2 La N5 O16 -","- C224 H408 Co8 La4 N20 O64 -","4","0.5","","Nikolaevskii, Stanislav A.; Petrov, Pavel A.; Sukhikh, Taisiya S.; Yambulatov, Dmitriy S.; Kiskin, Mikhail A.; Sokolov, Maxim N.; Eremenko, Igor L.","Simple synthetic protocol to obtain 3d-4f-heterometallic carboxylate complexes of N-heterocyclic carbenes","Inorganica Chimica Acta","2020","508","","119643","","10.1016/j.ica.2020.119643","","","0.71073","MoKα","","0.0584","0.0414","","","0.0881","0.0933","","","","","","1.044","","","","has coordinates,has disorder","269023","2021-09-07","09:35:21",""
"1564584","23.0878","0.001","26.4673","0.0014","27.3749","0.0014","90","","90","","90","","16728","1.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C76 H110 N5 O16 Tb Zn2 -","- C76 H110 N5 O16 Tb Zn2 -","- C608 H880 N40 O128 Tb8 Zn16 -","8","1","","Nikolaevskii, Stanislav A.; Petrov, Pavel A.; Sukhikh, Taisiya S.; Yambulatov, Dmitriy S.; Kiskin, Mikhail A.; Sokolov, Maxim N.; Eremenko, Igor L.","Simple synthetic protocol to obtain 3d-4f-heterometallic carboxylate complexes of N-heterocyclic carbenes","Inorganica Chimica Acta","2020","508","","119643","","10.1016/j.ica.2020.119643","","","0.71073","MoKα","","0.0751","0.0475","","","0.1077","0.1294","","","","","","1.154","","","","has coordinates,has disorder","269023","2021-09-07","09:35:23",""
"1564585","16.6146","0.0016","7.5227","0.0007","18.9472","0.0017","90","","101.911","0.003","90","","2317.2","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H29 Cu N3 O5 -","- C22 H29 Cu N3 O5 -","- C88 H116 Cu4 N12 O20 -","4","1","","Liu, Chao; Chen, Ming-Xing; Li, Ming","Synthesis, crystal structures, catalytic application and antibacterial activities of Cu(II) and Zn(II) complexes bearing salicylaldehyde-imine ligands","Inorganica Chimica Acta","2020","508","","119639","","10.1016/j.ica.2020.119639","","","0.71073","MoKα","","0.0351","0.032","","","0.0813","0.0833","","","","","","1.055","","","","has coordinates","269024","2021-09-07","09:43:37",""
"1564586","24.454","0.006","24.454","0.006","16.024","0.004","90","","90","","90","","9582","4","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C44 H50 N6 O12 Zn3 -","- C44 H50 N6 O12 Zn3 -","- C352 H400 N48 O96 Zn24 -","8","0.5","","Liu, Chao; Chen, Ming-Xing; Li, Ming","Synthesis, crystal structures, catalytic application and antibacterial activities of Cu(II) and Zn(II) complexes bearing salicylaldehyde-imine ligands","Inorganica Chimica Acta","2020","508","","119639","","10.1016/j.ica.2020.119639","","","0.71073","MoKα","","0.0554","0.0318","","","0.0729","0.0843","","","","","","1.034","","","","has coordinates","269024","2021-09-07","09:43:41",""
"1564587","10.144","0.002","11.501","0.002","16.118","0.003","91.97","0.03","93.83","0.03","110.58","0.03","1753.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 N4 O5 Zn2 -","- C29 H30 N4 O5 Zn2 -","- C58 H60 N8 O10 Zn4 -","2","1","","Liu, Chao; Chen, Ming-Xing; Li, Ming","Synthesis, crystal structures, catalytic application and antibacterial activities of Cu(II) and Zn(II) complexes bearing salicylaldehyde-imine ligands","Inorganica Chimica Acta","2020","508","","119639","","10.1016/j.ica.2020.119639","","","0.71073","MoKα","","0.0515","0.0374","","","0.1006","0.1063","","","","","","1.04","","","","has coordinates","269024","2021-09-07","09:43:41",""
"1564588","15.7212","0.0007","15.7212","0.0007","59.122","0.003","90","","90","","120","","12654.7","1","150","2","150","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C72 H81 Cl3 F6 P4 S7 W3 -","- C72 H81 Cl3 F6 P4 S7 W3 -","- C432 H486 Cl18 F36 P24 S42 W18 -","6","0.333333","","Gushchin, Artem L.; Shmelev, Nikita Y.; Malysheva, Svetlana F.; Artem'ev, Alexander V.; Belogorlova, Nataliya A.; Abramov, Pavel A.; Laricheva, Yuliya A.; Fomenko, Iakov S.; Piryazev, Dmitriy A.; Sheven, Dmitriy G.; Sokolov, Maxim N.","Trinuclear M3S4 cluster complexes with hemilabile phosphino-thioether ligands: Some experimental and theoretical aspects","Inorganica Chimica Acta","2020","508","","119645","","10.1016/j.ica.2020.119645","","","0.71073","MoKα","","0.0692","0.0557","","","0.1212","0.1263","","","","","","1.108","","","","has coordinates","269048","2021-09-08","08:31:57",""
"1564589","14.2529","0.0008","17.4818","0.0009","17.8346","0.0009","89.934","0.002","72.574","0.002","78.179","0.002","4141.3","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H99 Cl3 F6 P4 S7 W3 -","- C69 H99 Cl3 F6 P4 S7 W3 -","- C138 H198 Cl6 F12 P8 S14 W6 -","2","1","","Gushchin, Artem L.; Shmelev, Nikita Y.; Malysheva, Svetlana F.; Artem'ev, Alexander V.; Belogorlova, Nataliya A.; Abramov, Pavel A.; Laricheva, Yuliya A.; Fomenko, Iakov S.; Piryazev, Dmitriy A.; Sheven, Dmitriy G.; Sokolov, Maxim N.","Trinuclear M3S4 cluster complexes with hemilabile phosphino-thioether ligands: Some experimental and theoretical aspects","Inorganica Chimica Acta","2020","508","","119645","","10.1016/j.ica.2020.119645","","","0.71073","MoKα","","0.0711","0.0426","","","0.0931","0.1044","","","","","","1.007","","","","has coordinates,has disorder","269048","2021-09-08","08:31:58",""
"1564590","10.5491","0.0002","12.9255","0.0003","23.2034","0.0005","90","","101.887","0.001","90","","3095.99","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H44 Li N3 O -","- C35 H44 Li N3 O -","- C140 H176 Li4 N12 O4 -","4","1","","Skvortsov, Grigorii G.; Fukin, Georgy K.; Cherkasov, Anton V.; Kovylina, Tatyana A.; Trifonov, Alexander A.","Monoanionic triketiminate ligands: Peculiarity of coordination mode to lithium and rare earth ions","Inorganica Chimica Acta","2020","508","","119623","","10.1016/j.ica.2020.119623","","","0.71073","MoKα","","0.0806","0.0543","","","0.1237","0.1368","","","","","","1.029","","","","has coordinates,has disorder","269049","2021-09-08","08:40:33",""
"1564591","10.9044","0.0018","10.4131","0.0017","37.838","0.005","90","","90.882","0.003","90","","4295.9","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45.5 H62 Cl2 N3 O2 Y -","- C45.5 H62 Cl2 N3 O2 Y -","- C182 H248 Cl8 N12 O8 Y4 -","4","1","","Skvortsov, Grigorii G.; Fukin, Georgy K.; Cherkasov, Anton V.; Kovylina, Tatyana A.; Trifonov, Alexander A.","Monoanionic triketiminate ligands: Peculiarity of coordination mode to lithium and rare earth ions","Inorganica Chimica Acta","2020","508","","119623","","10.1016/j.ica.2020.119623","","","0.71073","MoKα","","0.0647","0.0414","","","0.0854","0.0928","","","","","","1.034","","","","has coordinates,has disorder","269049","2021-09-08","08:40:34",""
"1564592","10.9553","0.0006","19.7656","0.0011","11.4358","0.0006","90","","113.731","0.001","90","","2266.9","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C45 H64 Cl3 Li N3 O4 Y -","- C45 H64 Cl3 Li N3 O4 Y -","- C90 H128 Cl6 Li2 N6 O8 Y2 -","2","1","","Skvortsov, Grigorii G.; Fukin, Georgy K.; Cherkasov, Anton V.; Kovylina, Tatyana A.; Trifonov, Alexander A.","Monoanionic triketiminate ligands: Peculiarity of coordination mode to lithium and rare earth ions","Inorganica Chimica Acta","2020","508","","119623","","10.1016/j.ica.2020.119623","","","0.71073","MoKα","","0.0464","0.0376","","","0.082","0.0851","","","","","","0.994","","","","has coordinates,has disorder","269049","2021-09-08","08:40:34",""
"1564593","11.8982","0.0004","12.2653","0.0005","14.4785","0.0005","90","","110.588","0.0016","90","","1977.97","0.13","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H56 I N3 O3 Yb -","- C41 H56 I N3 O3 Yb -","- C82 H112 I2 N6 O6 Yb2 -","2","1","","Skvortsov, Grigorii G.; Fukin, Georgy K.; Cherkasov, Anton V.; Kovylina, Tatyana A.; Trifonov, Alexander A.","Monoanionic triketiminate ligands: Peculiarity of coordination mode to lithium and rare earth ions","Inorganica Chimica Acta","2020","508","","119623","","10.1016/j.ica.2020.119623","","","0.71073","MoKα","","0.0502","0.0465","","","0.0977","0.0994","","","","","","1.026","","","","has coordinates,has disorder","269049","2021-09-08","08:40:34",""
"1564594","16.945","0.01","17.795","0.011","26.03","0.015","94.957","0.007","102.512","0.008","110.026","0.007","7088","7","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C44 Cu8 N44 Nb48 O220 -","- C44 Cu8 N44 Nb48 O220 -","- C44 Cu8 N44 Nb48 O220 -","1","0.5","","Li, Nan; Wei, Genlong; Cheng, Mengyuan; Pang, Xiaoshuai; Wang, Ke; Wang, Guan; Zhang, Dongdi","Copper(II)‒ethylenediamine linked Nb24 dimer with one dimensional chain architecture","Inorganica Chimica Acta","2020","508","","119646","","10.1016/j.ica.2020.119646","","","0.71073","MoKα","","0.0494","0.0402","","","0.1278","0.1353","","","","","","1.041","","","","has coordinates,has disorder","269050","2021-09-08","08:52:34",""
"1564619","7.1024","0.0004","14.4921","0.0008","22.4437","0.0011","90","","90","","90","","2310.1","0.2","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C39 H57 Cd2 N9 O13 -","- C39 H57 Cd2 N9 O13 -","- C78 H114 Cd4 N18 O26 -","2","0.25","","Lu, Lu; Wang, Jun; Zhou, Shanhe; Zhong, Yuyu; Sun, Yanchun; Wu, Xiren; Singh, Amita; Kumar, Abhinav","Two new coordination polymers driven by polycarboxylate and N-donor spacers: Photocatalytic performance and theoretical analysis","Inorganica Chimica Acta","2020","508","","119647","","10.1016/j.ica.2020.119647","","","0.71073","MoKα","","0.0491","0.0378","","","0.096","0.1033","","","","","","1.129","","","","has coordinates,has disorder","269126","2021-09-14","08:34:29",""
"1564620","14.3581","0.0011","14.9372","0.0012","15.4232","0.0012","110.925","0.001","112.548","0.001","98.7567","0.001","2688.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H65 N9 O13 Zn2 -","- C50 H65 N9 O13 Zn2 -","- C100 H130 N18 O26 Zn4 -","2","1","","Lu, Lu; Wang, Jun; Zhou, Shanhe; Zhong, Yuyu; Sun, Yanchun; Wu, Xiren; Singh, Amita; Kumar, Abhinav","Two new coordination polymers driven by polycarboxylate and N-donor spacers: Photocatalytic performance and theoretical analysis","Inorganica Chimica Acta","2020","508","","119647","","10.1016/j.ica.2020.119647","","","0.71073","MoKα","","0.0886","0.0566","","","0.1565","0.1764","","","","","","1.042","","","","has coordinates","269126","2021-09-14","08:34:30",""
"1564621","9.6154","0.0004","12.8506","0.0005","13.9804","0.0006","113.047","0.001","90.323","0.001","108.131","0.001","1494.53","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 Cl6 Eu O8 -","- C25 H21 Cl6 Eu O8 -","- C50 H42 Cl12 Eu2 O16 -","2","1","","Zhang, Ju-Wen; Wang, Cen-Ru; Liu, Wen-Hua; Xu, Shuang; Liu, Bin-Qiu","Two kinds of 2,4-dichlorobenzoate-based lanthanide coordination polymers tuned by 4,4′-bipyridine: Syntheses, structures, photoluminescence, and magnetism","Inorganica Chimica Acta","2020","508","","119648","","10.1016/j.ica.2020.119648","","","0.71073","MoKα","","0.0295","0.0243","","","0.0582","0.0606","","","","","","1.016","","","","has coordinates","269127","2021-09-14","08:42:26",""
"1564622","7.8147","0.0007","12.8462","0.0011","13.1267","0.0012","80.253","0.002","88.482","0.002","74.914","0.002","1253.78","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H11 Cl6 Gd O7 -","- C21 H11 Cl6 Gd O7 -","- C42 H22 Cl12 Gd2 O14 -","2","1","","Zhang, Ju-Wen; Wang, Cen-Ru; Liu, Wen-Hua; Xu, Shuang; Liu, Bin-Qiu","Two kinds of 2,4-dichlorobenzoate-based lanthanide coordination polymers tuned by 4,4′-bipyridine: Syntheses, structures, photoluminescence, and magnetism","Inorganica Chimica Acta","2020","508","","119648","","10.1016/j.ica.2020.119648","","","0.71073","MoKα","","0.0441","0.0364","","","0.1141","0.1289","","","","","","1.002","","","","has coordinates","269127","2021-09-14","08:42:26",""
"1564623","8.7314","0.0005","13.388","0.0008","14.8913","0.0009","112.277","0.001","104.034","0.001","93.383","0.001","1540.48","0.16","296","2","296","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H15 Cl6 Eu N O7 -","- C26 H15 Cl6 Eu N O7 -","- C52 H30 Cl12 Eu2 N2 O14 -","2","1","","Zhang, Ju-Wen; Wang, Cen-Ru; Liu, Wen-Hua; Xu, Shuang; Liu, Bin-Qiu","Two kinds of 2,4-dichlorobenzoate-based lanthanide coordination polymers tuned by 4,4′-bipyridine: Syntheses, structures, photoluminescence, and magnetism","Inorganica Chimica Acta","2020","508","","119648","","10.1016/j.ica.2020.119648","","","0.71073","MoKα","","0.0432","0.0383","","","0.0954","0.1001","","","","","","1.11","","","","has coordinates,has disorder","269127","2021-09-14","08:42:26",""
"1564624","8.7131","0.0004","13.4379","0.0007","14.8739","0.0007","112.489","0.001","104.172","0.001","93.529","0.001","1536.52","0.13","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H15 Cl6 Gd N O7 -","- C26 H15 Cl6 Gd N O7 -","- C52 H30 Cl12 Gd2 N2 O14 -","2","1","","Zhang, Ju-Wen; Wang, Cen-Ru; Liu, Wen-Hua; Xu, Shuang; Liu, Bin-Qiu","Two kinds of 2,4-dichlorobenzoate-based lanthanide coordination polymers tuned by 4,4′-bipyridine: Syntheses, structures, photoluminescence, and magnetism","Inorganica Chimica Acta","2020","508","","119648","","10.1016/j.ica.2020.119648","","","0.71073","MoKα","","0.0478","0.0405","","","0.0982","0.104","","","","","","1.07","","","","has coordinates,has disorder","269127","2021-09-14","08:42:27",""
"1564625","8.6854","0.0004","13.3341","0.0006","14.8312","0.0006","112.045","0.001","103.905","0.001","93.24","0.001","1524.71","0.12","296","2","296","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H15 Cl6 N O7 Tb -","- C26 H15 Cl6 N O7 Tb -","- C52 H30 Cl12 N2 O14 Tb2 -","2","1","","Zhang, Ju-Wen; Wang, Cen-Ru; Liu, Wen-Hua; Xu, Shuang; Liu, Bin-Qiu","Two kinds of 2,4-dichlorobenzoate-based lanthanide coordination polymers tuned by 4,4′-bipyridine: Syntheses, structures, photoluminescence, and magnetism","Inorganica Chimica Acta","2020","508","","119648","","10.1016/j.ica.2020.119648","","","0.71073","MoKα","","0.0376","0.0336","","","0.0861","0.0893","","","","","","1.071","","","","has coordinates,has disorder","269127","2021-09-14","08:42:27",""
"1564626","8.7593","0.0008","13.2876","0.0013","14.923","0.0014","112.033","0.002","103.897","0.002","92.834","0.002","1544","0.3","296","2","296","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H15 Cl6 Dy N O7 -","- C26 H15 Cl6 Dy N O7 -","- C52 H30 Cl12 Dy2 N2 O14 -","2","1","","Zhang, Ju-Wen; Wang, Cen-Ru; Liu, Wen-Hua; Xu, Shuang; Liu, Bin-Qiu","Two kinds of 2,4-dichlorobenzoate-based lanthanide coordination polymers tuned by 4,4′-bipyridine: Syntheses, structures, photoluminescence, and magnetism","Inorganica Chimica Acta","2020","508","","119648","","10.1016/j.ica.2020.119648","","","0.71073","MoKα","","0.044","0.0376","","","0.0981","0.1032","","","","","","1.064","","","","has coordinates,has disorder","269127","2021-09-14","08:42:27",""
"1564627","7.85321","0.00015","10.98822","0.00016","20.4662","0.0004","80.0645","0.0014","81.6655","0.0016","89.1459","0.0014","1721.13","0.05","99.96","0.17","99.96","0.17","","","","","","","","6","P 1","P 1","1","","","","- C32 H43 Cl2 Ir N2 O5 -","- C32 H43 Cl2 Ir N2 O5 -","- C64 H86 Cl4 Ir2 N4 O10 -","2","2","","Bandaru, Sravan K.; Thomas, Hayden P.; Saunders, Graham C.","Piano stool complexes of N-heterocyclic carbene ligands bearing a galactose-derived substituent","Inorganica Chimica Acta","2020","508","","119651","","10.1016/j.ica.2020.119651","","x-ray","1.54184","CuKα","","0.0644","0.0533","","","0.1684","0.2062","","","","","","1.0465","","","","has coordinates","269128","2021-09-14","08:54:09",""
"1564628","7.86878","0.00013","19.0328","0.0004","12.1261","0.0002","90","","99.9494","0.0017","90","","1788.75","0.06","99.97","0.1","99.97","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H38 Cl8 N2 O5 Ru -","- C27 H38 Cl8 N2 O5 Ru -","- C54 H76 Cl16 N4 O10 Ru2 -","2","1","","Bandaru, Sravan K.; Thomas, Hayden P.; Saunders, Graham C.","Piano stool complexes of N-heterocyclic carbene ligands bearing a galactose-derived substituent","Inorganica Chimica Acta","2020","508","","119651","","10.1016/j.ica.2020.119651","","x-ray","1.54184","CuKα","","0.0364","0.0303","","","0.0771","0.082","","","","","","1.0186","","","","has coordinates","269128","2021-09-14","08:54:09",""
"1564629","7.8667","0.0003","10.9861","0.0004","20.5635","0.0006","79.89","0.003","81.498","0.003","89.261","0.003","1730.21","0.11","99.9","0.3","99.9","0.3","","","","","","","","6","P 1","P 1","1","","","","- C32.167 H43.333 Cl2.333 N2 O5 Rh -","- C32.1667 H43.3333 Cl2.33333 N2 O5 Rh -","- C64.3333 H86.6667 Cl4.66666 N4 O10 Rh2 -","2","2","","Bandaru, Sravan K.; Thomas, Hayden P.; Saunders, Graham C.","Piano stool complexes of N-heterocyclic carbene ligands bearing a galactose-derived substituent","Inorganica Chimica Acta","2020","508","","119651","","10.1016/j.ica.2020.119651","","x-ray","1.54184","CuKα","","0.0705","0.0562","","","0.1647","0.1916","","","","","","1.0408","","","","has coordinates","269128","2021-09-14","08:54:10",""
"1564630","18.7592","0.0007","9.7333","0.0004","16.0077","0.0006","90","","106.724","0.002","90","","2799.2","0.19","296.15","","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C49 H45 Cu3 N7 O8 -","- C49 H45 Cu3 N7 O8 -","- C98 H90 Cu6 N14 O16 -","2","0.5","","Boussadia, Ahlem; Beghidja, Adel; Gali, Lynda; Beghidja, Chahrazed; Elhabiri, Mourad; Rabu, Pierre; Rogez, Guillaume","Coordination properties of two new Schiff-base phenoxy-carboxylates and comparative study of their antioxidant activities","Inorganica Chimica Acta","2020","508","","119656","","10.1016/j.ica.2020.119656","","","0.71073","MoKα","","0.1037","0.0784","","","0.2251","0.25","","","","","","1.038","","","","has coordinates","269129","2021-09-14","09:04:44",""
"1564631","4.8085","0.0003","10.1516","0.0006","33.3476","0.0019","90","","91.218","0.003","90","","1627.46","0.17","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 N2 Ni O4 -","- C19 H14 N2 Ni O4 -","- C76 H56 N8 Ni4 O16 -","4","1","","Boussadia, Ahlem; Beghidja, Adel; Gali, Lynda; Beghidja, Chahrazed; Elhabiri, Mourad; Rabu, Pierre; Rogez, Guillaume","Coordination properties of two new Schiff-base phenoxy-carboxylates and comparative study of their antioxidant activities","Inorganica Chimica Acta","2020","508","","119656","","10.1016/j.ica.2020.119656","","","0.71073","MoKα","","0.1174","0.0508","","","0.0911","0.1096","","","","","","0.987","","","","has coordinates,has disorder","269129","2021-09-14","09:04:55",""
"1564632","17.0836","0.0005","15.8683","0.0005","17.8681","0.0004","90","","90","","90","","4843.8","0.2","273.15","","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H23 N3 Ni O5 -","- C25 H23 N3 Ni O5 -","- C200 H184 N24 Ni8 O40 -","8","1","","Boussadia, Ahlem; Beghidja, Adel; Gali, Lynda; Beghidja, Chahrazed; Elhabiri, Mourad; Rabu, Pierre; Rogez, Guillaume","Coordination properties of two new Schiff-base phenoxy-carboxylates and comparative study of their antioxidant activities","Inorganica Chimica Acta","2020","508","","119656","","10.1016/j.ica.2020.119656","","","0.71073","MoKα","","0.121","0.0525","","","0.1032","0.1266","","","","","","1.001","","","","has coordinates","269129","2021-09-14","09:05:01",""
"1564633","4.8639","0.0003","16.5889","0.0012","13.7485","0.0008","90","","97.091","0.003","90","","1100.84","0.12","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","1","","Boussadia, Ahlem; Beghidja, Adel; Gali, Lynda; Beghidja, Chahrazed; Elhabiri, Mourad; Rabu, Pierre; Rogez, Guillaume","Coordination properties of two new Schiff-base phenoxy-carboxylates and comparative study of their antioxidant activities","Inorganica Chimica Acta","2020","508","","119656","","10.1016/j.ica.2020.119656","","","0.71073","MoKα","","0.0685","0.0445","","","0.1097","0.1227","","","","","","1.038","","","","has coordinates","269129","2021-09-14","09:05:10",""
"1564634","12.0325","0.0004","10.4098","0.0004","19.4563","0.0007","90","","103.904","0.002","90","","2365.61","0.15","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N2 O8 -","- C28 H22 N2 O8 -","- C112 H88 N8 O32 -","4","1","","Boussadia, Ahlem; Beghidja, Adel; Gali, Lynda; Beghidja, Chahrazed; Elhabiri, Mourad; Rabu, Pierre; Rogez, Guillaume","Coordination properties of two new Schiff-base phenoxy-carboxylates and comparative study of their antioxidant activities","Inorganica Chimica Acta","2020","508","","119656","","10.1016/j.ica.2020.119656","","","0.71073","MoKα","","0.1245","0.0509","","","0.1152","0.1439","","","","","","0.984","","","","has coordinates","269129","2021-09-14","09:05:19",""
"1564649","10.4519","0.0006","10.9195","0.0006","11.3018","0.0008","77.556","0.003","62.55","0.002","74","0.002","1094.38","0.12","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","((1Z)-N-((2-chlorobenzyl)carbamothioyl)ethanehydrazonoyl)ferrocene hemi1,4-Dioxane","","- C22 H24 Cl Fe N3 O S -","- C22 H24 Cl Fe N3 O S -","- C44 H48 Cl2 Fe2 N6 O2 S2 -","2","1","","Jawaria, Rifat; Hussain, Mazhar; Ahmad, Hafiz Badaruddin; Ashraf, Muhammad; Hussain, Safdar; Naseer, Muhammad Moazzam; Khalid, Muhamamd; Hussain, Muhammad Ajaz; al-Rashida, Mariya; Tahir, Muhammad Nawaz; Asim, Sumreen; Shafiq, Zahid","Probing ferrocene-based thiosemicarbazones and their transition metal complexes as cholinesterase inhibitors","Inorganica Chimica Acta","2020","508","","119658","","10.1016/j.ica.2020.119658","","","0.71073","MoKα","","0.0523","0.0392","","","0.092","0.0994","","","","","","1.071","","","","has coordinates,has disorder","269151","2021-09-15","08:30:23",""
"1564650","7.1221","0.001","11.9489","0.0016","10.8718","0.0015","90","","101.612","0.003","90","","906.3","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cu N4 O2 S2 -","- C16 H18 Cu N4 O2 S2 -","- C32 H36 Cu2 N8 O4 S4 -","2","0.5","","Boulguemh, Imed-Eddine; Beghidja, Adel; Khattabi, Latifa; Long, Jérôme; Beghidja, Chahrazed","Monomeric and dimeric copper (II) complexes based on bidentate Nʹ-(propan-2-ylidene) thiophene carbohydrazide Schiff base ligand: Synthesis, structure, magnetic properties, antioxidant and anti-Alzheimer activities","Inorganica Chimica Acta","2020","507","","119519","","10.1016/j.ica.2020.119519","","","0.71073","MoKα","","0.0884","0.0552","","","0.1507","0.1733","","","","","","1.025","","","","has coordinates","269152","2021-09-15","08:56:06",""
"1564651","10.949","0.0003","17.8037","0.0005","13.1661","0.0004","90","","109.142","0.001","90","","2424.6","0.12","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cl4 Cu2 N4 O2 S2 -","- C16 H20 Cl4 Cu2 N4 O2 S2 -","- C64 H80 Cl16 Cu8 N16 O8 S8 -","4","0.5","","Boulguemh, Imed-Eddine; Beghidja, Adel; Khattabi, Latifa; Long, Jérôme; Beghidja, Chahrazed","Monomeric and dimeric copper (II) complexes based on bidentate Nʹ-(propan-2-ylidene) thiophene carbohydrazide Schiff base ligand: Synthesis, structure, magnetic properties, antioxidant and anti-Alzheimer activities","Inorganica Chimica Acta","2020","507","","119519","","10.1016/j.ica.2020.119519","","","0.71073","MoKα","","0.0493","0.0322","","","0.0792","0.0876","","","","","","1.051","","","","has coordinates","269152","2021-09-15","08:56:22",""
"1564652","9.0301","0.0018","14.053","0.002","18.12","0.005","90","","103.42","0.005","90","","2236.6","0.8","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Cl3 N3 O Pt -","- C21 H24 Cl3 N3 O Pt -","- C84 H96 Cl12 N12 O4 Pt4 -","4","1","","Abo-Amer, Anwar; Boyle, Paul D.; Puddephatt, Richard J.","Push-pull ligands and the oxidation of monomethylplatinum(II) complexes with oxygen or hydrogen peroxide","Inorganica Chimica Acta","2020","507","","119580","","10.1016/j.ica.2020.119580","","","0.71073","MoKα","","0.0636","0.0389","","","0.0764","0.0828","","","","","","1.082","","","","has coordinates","269153","2021-09-15","09:06:24",""
"1564653","10.06","0.003","13.867","0.004","17.107","0.004","70.008","0.009","73.995","0.013","80.317","0.015","2148.5","1","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 N4 O6 Pt -","- C20 H26 N4 O6 Pt -","- C80 H104 N16 O24 Pt4 -","4","2","","Abo-Amer, Anwar; Boyle, Paul D.; Puddephatt, Richard J.","Push-pull ligands and the oxidation of monomethylplatinum(II) complexes with oxygen or hydrogen peroxide","Inorganica Chimica Acta","2020","507","","119580","","10.1016/j.ica.2020.119580","","","0.71073","MoKα","","0.0816","0.0431","","","0.0686","0.077","","","","","","1.015","","","","has coordinates,has disorder","269153","2021-09-15","09:06:35",""
"1564654","8.289","0.003","10.718","0.004","12.644","0.004","100.86","0.011","106.344","0.016","108.412","0.01","974.2","0.6","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H21 Cl2 N3 O Pt -","- C20 H21 Cl2 N3 O Pt -","- C40 H42 Cl4 N6 O2 Pt2 -","2","1","","Abo-Amer, Anwar; Boyle, Paul D.; Puddephatt, Richard J.","Push-pull ligands and the oxidation of monomethylplatinum(II) complexes with oxygen or hydrogen peroxide","Inorganica Chimica Acta","2020","507","","119580","","10.1016/j.ica.2020.119580","","","0.71073","MoKα","","0.0523","0.0374","","","0.0764","0.0809","","","","","","1.011","","","","has coordinates","269153","2021-09-15","09:06:40",""
"1564655","10.9331","0.0019","20.468","0.004","11.961","0.002","90","","107.866","0.01","90","","2547.5","0.8","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl N3 O4 Pt -","- C20 H26 Cl0.999 N3 O4 Pt -","- C80 H104 Cl3.996 N12 O16 Pt4 -","4","1","","Abo-Amer, Anwar; Boyle, Paul D.; Puddephatt, Richard J.","Push-pull ligands and the oxidation of monomethylplatinum(II) complexes with oxygen or hydrogen peroxide","Inorganica Chimica Acta","2020","507","","119580","","10.1016/j.ica.2020.119580","","","0.71073","MoKα","","0.0569","0.035","","","0.0794","0.0868","","","","","","1.031","","","","has coordinates,has disorder","269153","2021-09-15","09:06:44",""
"1564656","10.6","0.003","10.954","0.002","11.714","0.003","96.462","0.01","99.179","0.01","103.836","0.012","1287.6","0.6","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H27 Cl2 N3 O5 Pt -","- C20 H27 Cl2 N3 O5 Pt -","- C40 H54 Cl4 N6 O10 Pt2 -","2","1","","Abo-Amer, Anwar; Boyle, Paul D.; Puddephatt, Richard J.","Push-pull ligands and the oxidation of monomethylplatinum(II) complexes with oxygen or hydrogen peroxide","Inorganica Chimica Acta","2020","507","","119580","","10.1016/j.ica.2020.119580","","","0.71073","MoKα","","0.0505","0.0366","","","0.0809","0.0852","","","","","","1.008","","","","has coordinates","269153","2021-09-15","09:06:46",""
"1564657","8.169","0.004","9.244","0.004","15.374","0.006","90.697","0.014","104.852","0.019","91.425","0.018","1121.6","0.9","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H21 Cl N4 O4 Pt -","- C20 H21 Cl N4 O4 Pt -","- C40 H42 Cl2 N8 O8 Pt2 -","2","1","","Abo-Amer, Anwar; Boyle, Paul D.; Puddephatt, Richard J.","Push-pull ligands and the oxidation of monomethylplatinum(II) complexes with oxygen or hydrogen peroxide","Inorganica Chimica Acta","2020","507","","119580","","10.1016/j.ica.2020.119580","","","0.71073","MoKα","","0.0805","0.0471","","","0.076","0.0847","","","","","","0.962","","","","has coordinates,has disorder","269153","2021-09-15","09:06:50",""
"1564725","18.5347","0.0013","7.4472","0.0005","17.8595","0.0012","90","","118.671","0.003","90","","2162.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 Cl Ir N5 -","- C21 H27 Cl Ir N5 -","- C84 H108 Cl4 Ir4 N20 -","4","1","","Medrano-Castillo, Layla J.; Collazo-Flores, Miguel Á.; Camarena-Díaz, Juan P.; Correa-Ayala, Erick; Chávez, Daniel; Grotjahn, Douglas B.; Rheingold, Arnold L.; Miranda-Soto, Valentín; Parra-Hake, Miguel","Base-free transfer hydrogenation of aryl-ketones, alkyl-ketones and alkenones catalyzed by an IrIIICp* complex bearing a triazenide ligand functionalized with pyrazole","Inorganica Chimica Acta","2020","507","","119551","","10.1016/j.ica.2020.119551","","","0.71073","MoKα","","0.0494","0.0319","","","0.0581","0.0627","","","","","","1.018","","","","has coordinates","269318","2021-09-27","08:51:22",""
"1564726","14.277","0.003","5.6216","0.0013","14.489","0.002","90","","106.847","0.006","90","","1113","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N5 -","- C11 H13 N5 -","- C44 H52 N20 -","4","1","","Medrano-Castillo, Layla J.; Collazo-Flores, Miguel Á.; Camarena-Díaz, Juan P.; Correa-Ayala, Erick; Chávez, Daniel; Grotjahn, Douglas B.; Rheingold, Arnold L.; Miranda-Soto, Valentín; Parra-Hake, Miguel","Base-free transfer hydrogenation of aryl-ketones, alkyl-ketones and alkenones catalyzed by an IrIIICp* complex bearing a triazenide ligand functionalized with pyrazole","Inorganica Chimica Acta","2020","507","","119551","","10.1016/j.ica.2020.119551","","","0.71073","MoKα","","0.0769","0.0422","","","0.1019","0.1152","","","","","","1.027","","","","has coordinates","269318","2021-09-27","08:51:36",""
"1564727","12.3454","0.0005","12.4756","0.0005","22.0778","0.0009","80.395","0.002","89.953","0.002","60.944","0.001","2918","0.2","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H50 B10 Cl9 N0.5 O0.5 S -","- C38 H56 B10 Cl9 N3 O4 S -","- C76 H112 B20 Cl18 N6 O8 S2 -","2","1","","Kubasov, A.S.; Turishev, E.S.; Golubev, A.V.; Bykov, A.Yu.; Zhizhin, K.Yu.; Kuznetsov, N.T.","The method for synthesis of 2-sulfonium closo-decaborate anions derivatives with exo-polyhedral aminogroups","Inorganica Chimica Acta","2020","507","","119589","","10.1016/j.ica.2020.119589","","","0.71073","MoKα","","0.0958","0.0617","","","0.1825","0.2068","","","","","","1.045","","","","has coordinates","269320","2021-09-27","09:00:28",""
"1564728","20.087","0.006","14.334","0.004","18.695","0.005","90","","95.879","0.013","90","","5354","3","296","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H55 B10 N O2 P2 S -","- C57 H55 B10 N O2 P2 S -","- C228 H220 B40 N4 O8 P8 S4 -","4","1","","Kubasov, A.S.; Turishev, E.S.; Golubev, A.V.; Bykov, A.Yu.; Zhizhin, K.Yu.; Kuznetsov, N.T.","The method for synthesis of 2-sulfonium closo-decaborate anions derivatives with exo-polyhedral aminogroups","Inorganica Chimica Acta","2020","507","","119589","","10.1016/j.ica.2020.119589","","","0.71073","MoKα","","0.0762","0.0525","","","0.1423","0.1579","","","","","","1.025","","","","has coordinates","269321","2021-09-27","09:01:52",""
"1564729","14.9294","0.0012","17.0837","0.0011","20.114","0.0015","90","","111.673","0.003","90","","4767.4","0.6","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H61 B10 N3 O4 S -","- C35.9987 H60.9972 B10 N3 O4 S -","- C143.995 H243.989 B40 N12 O16 S4 -","4","1","","Kubasov, A.S.; Turishev, E.S.; Golubev, A.V.; Bykov, A.Yu.; Zhizhin, K.Yu.; Kuznetsov, N.T.","The method for synthesis of 2-sulfonium closo-decaborate anions derivatives with exo-polyhedral aminogroups","Inorganica Chimica Acta","2020","507","","119589","","10.1016/j.ica.2020.119589","","","0.71073","MoKα","","0.23","0.113","","","0.2983","0.3731","","","","","","0.966","","","","has coordinates,has disorder","269322","2021-09-27","09:05:01",""
"1564741","26.489","0.003","7.2195","0.0007","6.2098","0.0006","90","","93.279","0.005","90","","1185.6","0.2","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C31 H23 N O3 -","- C31 H23 N O3 -","- C62 H46 N2 O6 -","2","1","","Mohite, S.S.; Patil-Deshmukh, A.B.; Chavan, S.S.","Ru(III)-pseudohalide complexes with alkynyl functionalized salicylaldimine ligand and heterocyclic coligand: Synthesis, characterization, electrochemical and luminescence properties","Inorganica Chimica Acta","2020","507","","119586","","10.1016/j.ica.2020.119586","","","1.54178","CuKα","","0.122","0.0732","","","0.1781","0.2045","","","","","","1.023","","","","has coordinates","269363","2021-09-29","07:42:39",""
"1564742","10.1362","0.0008","14.394","0.0012","21.3439","0.0016","90","","101.155","0.001","90","","3055.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 N3 Ni O P2 S2 -","- C32 H29 N3 Ni O P2 S2 -","- C128 H116 N12 Ni4 O4 P8 S8 -","4","1","","Mou, Wen-Yu; Li, Tao; Xie, Bin; Zhang, Dong-Liang; Lai, Chuan; Deng, Cheng-Long; Cao, Jia-Xi; Bai, Xiao-Xue; Liu, Xiao-Qiang","Neutral heteroleptic nickel complexes incorporating maleonitriledithiolate and bis(diphenylphosphanyl)amine as robust molecular electrocatalysts for hydrogen evolution","Inorganica Chimica Acta","2020","507","","119587","","10.1016/j.ica.2020.119587","","","0.71073","MoKα","","0.0371","0.0281","","","0.0729","0.0766","","","","","","1.076","","","","has coordinates","269364","2021-09-29","07:47:39",""
"1564743","9.18441","0.00013","17.6653","0.0002","19.7935","0.0003","90","","103.427","0.0014","90","","3123.62","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 N3 Ni P2 S3 -","- C32 H29 N3 Ni P2 S3 -","- C128 H116 N12 Ni4 P8 S12 -","4","1","","Mou, Wen-Yu; Li, Tao; Xie, Bin; Zhang, Dong-Liang; Lai, Chuan; Deng, Cheng-Long; Cao, Jia-Xi; Bai, Xiao-Xue; Liu, Xiao-Qiang","Neutral heteroleptic nickel complexes incorporating maleonitriledithiolate and bis(diphenylphosphanyl)amine as robust molecular electrocatalysts for hydrogen evolution","Inorganica Chimica Acta","2020","507","","119587","","10.1016/j.ica.2020.119587","","","1.54184","CuKα","","0.0465","0.0416","","","0.1107","0.1164","","","","","","1.018","","","","has coordinates","269364","2021-09-29","07:47:40",""
"1564744","11.8811","0.0005","12.9777","0.0003","21.7852","0.0006","90","","90","","90","","3359.05","0.19","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H29 N3 Ni P2 S2 -","- C36 H29 N3 Ni P2 S2 -","- C144 H116 N12 Ni4 P8 S8 -","4","1","","Mou, Wen-Yu; Li, Tao; Xie, Bin; Zhang, Dong-Liang; Lai, Chuan; Deng, Cheng-Long; Cao, Jia-Xi; Bai, Xiao-Xue; Liu, Xiao-Qiang","Neutral heteroleptic nickel complexes incorporating maleonitriledithiolate and bis(diphenylphosphanyl)amine as robust molecular electrocatalysts for hydrogen evolution","Inorganica Chimica Acta","2020","507","","119587","","10.1016/j.ica.2020.119587","","","1.54184","CuKα","","0.0543","0.0489","","","0.1261","0.1338","","","","","","1.035","","","","has coordinates","269364","2021-09-29","07:47:40",""
"1564745","9.3437","0.0001","18.2134","0.0002","18.7553","0.0003","90","","103.184","0.002","90","","3107.66","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 N3 Ni P2 S2 -","- C33 H31 N3 Ni P2 S2 -","- C132 H124 N12 Ni4 P8 S8 -","4","1","","Mou, Wen-Yu; Li, Tao; Xie, Bin; Zhang, Dong-Liang; Lai, Chuan; Deng, Cheng-Long; Cao, Jia-Xi; Bai, Xiao-Xue; Liu, Xiao-Qiang","Neutral heteroleptic nickel complexes incorporating maleonitriledithiolate and bis(diphenylphosphanyl)amine as robust molecular electrocatalysts for hydrogen evolution","Inorganica Chimica Acta","2020","507","","119587","","10.1016/j.ica.2020.119587","","","1.54184","CuKα","","0.0518","0.0457","","","0.1198","0.1271","","","","","","1.037","","","","has coordinates","269364","2021-09-29","07:47:40",""
"1564746","9.1889","0.0003","16.3025","0.0006","24.4743","0.0009","90","","90.12","","90","","3666.3","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H60 Cl6 N6 Ni2 P4 S4 -","- C73 H60 Cl6 N6 Ni2 P4 S4 -","- C146 H120 Cl12 N12 Ni4 P8 S8 -","2","0.5","","Mou, Wen-Yu; Li, Tao; Xie, Bin; Zhang, Dong-Liang; Lai, Chuan; Deng, Cheng-Long; Cao, Jia-Xi; Bai, Xiao-Xue; Liu, Xiao-Qiang","Neutral heteroleptic nickel complexes incorporating maleonitriledithiolate and bis(diphenylphosphanyl)amine as robust molecular electrocatalysts for hydrogen evolution","Inorganica Chimica Acta","2020","507","","119587","","10.1016/j.ica.2020.119587","","","1.54184","CuKα","","0.0748","0.065","","","0.1729","0.1859","","","","","","1.05","","","","has coordinates,has disorder","269364","2021-09-29","07:47:40",""
"1564747","7.1495","0.0003","41.6834","0.0016","9.7013","0.0004","90","","102.418","0.001","90","","2823.5","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 F5 Ir N4 O2 S -","- C29 H27 F5 Ir N4 O2 S -","- C116 H108 F20 Ir4 N16 O8 S4 -","4","1","","Eslava-Gonzalez, Itzel; Valdés, Hugo; Teresa Ramírez-Apan, María; Hernandez-Ortega, Simón; Rosario Zermeño-Ortega, Miriam; Avila-Sorrosa, Alcives; Morales-Morales, David","Synthesis of theophylline-based iridium(I) N-heterocyclic carbene complexes including fluorinated-thiophenolate ligands. Preliminary evaluation of their in vitro anticancer activity","Inorganica Chimica Acta","2020","507","","119588","","10.1016/j.ica.2020.119588","","","0.71073","MoKα","","0.0406","0.0357","","","0.0718","0.0732","","","","","","1.258","","","","has coordinates","269365","2021-09-29","07:52:43",""
"1564748","7.3026","0.0004","9.4501","0.0005","20.9232","0.001","78.7458","0.0014","86.3229","0.0014","77.6856","0.0014","1383.19","0.12","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H28 F4 Ir N4 O2 S -","- C29 H28 F4 Ir N4 O2 S -","- C58 H56 F8 Ir2 N8 O4 S2 -","2","1","","Eslava-Gonzalez, Itzel; Valdés, Hugo; Teresa Ramírez-Apan, María; Hernandez-Ortega, Simón; Rosario Zermeño-Ortega, Miriam; Avila-Sorrosa, Alcives; Morales-Morales, David","Synthesis of theophylline-based iridium(I) N-heterocyclic carbene complexes including fluorinated-thiophenolate ligands. Preliminary evaluation of their in vitro anticancer activity","Inorganica Chimica Acta","2020","507","","119588","","10.1016/j.ica.2020.119588","","","0.71073","MoKα","","0.0358","0.0306","","","0.0619","0.0648","","","","","","1.172","","","","has coordinates","269366","2021-09-29","07:53:45",""
"1564749","10.797","0.002","12.891","0.003","13.362","0.003","69.9","0.03","71.01","0.03","79.98","0.03","1647.4","0.7","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H18 Cl Dy F6 N2 O5 S2 -","- C32 H12 Cl Dy F6 N2 O5 S2 -","- C64 H24 Cl2 Dy2 F12 N4 O10 S4 -","2","1","","Ling Hou, Yin; Yang, Ting-Ting; Zhao, Wen-Xin; Fan, Chen-Juan; Yan, Li-Li; Guan, Xiao-Fen; Ji, Jia; Wang, Wen-Min","Modulating SMM behaviors in phenoxo-O bridged Dy2 compounds via different β-diketonate","Inorganica Chimica Acta","2020","507","","119595","","10.1016/j.ica.2020.119595","","","0.71073","MoKα","","0.0574","0.0506","","","0.122","0.1275","","","","","","1.05","","","","has coordinates,has disorder","269367","2021-09-29","08:07:26",""
"1564750","11.126","0.002","23.786","0.005","15.314","0.003","90","","101.15","0.03","90","","3976.2","1.4","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H70 Cl4 Dy2 N4 O11 -","- C94 H64 Cl4 Dy2 N4 O11 -","- C188 H128 Cl8 Dy4 N8 O22 -","2","0.5","","Ling Hou, Yin; Yang, Ting-Ting; Zhao, Wen-Xin; Fan, Chen-Juan; Yan, Li-Li; Guan, Xiao-Fen; Ji, Jia; Wang, Wen-Min","Modulating SMM behaviors in phenoxo-O bridged Dy2 compounds via different β-diketonate","Inorganica Chimica Acta","2020","507","","119595","","10.1016/j.ica.2020.119595","","","0.71073","MoKα","","0.043","0.0341","","","0.0834","0.0921","","","","","","1.103","","","","has coordinates,has disorder","269367","2021-09-29","08:07:27",""
"1564751","10.7277","0.0004","16.5367","0.0005","12.4359","0.0005","90","","109.775","0.004","90","","2076.04","0.14","298.19","0.1","298.19","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N2 O9 Zn -","- C18 H25 N2 O9 Zn -","- C72 H100 N8 O36 Zn4 -","4","1","","Li, Kan; Li, Jing-jing; Zhao, Ni; Di, Bin; Ma, Ying; Xu, Li-li","Synthesis, crystal structures and properties of five novel coordination polymers and application in removing heavy metals from water","Inorganica Chimica Acta","2020","507","","119598","","10.1016/j.ica.2020.119598","","x-ray","0.71073","MoKα","","0.054","0.0397","","","0.1049","0.112","","","","","","1.026","","","","has coordinates","269368","2021-09-29","08:17:03",""
"1564752","11.1133","0.0001","11.5859","0.0002","20.9081","0.0003","96.936","0.001","90.563","0.001","107.537","0.001","2545.13","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C49 H60 Fe2 N6 O16 -","- C49 H60 Fe2 N6 O16 -","- C98 H120 Fe4 N12 O32 -","2","1","","Li, Kan; Li, Jing-jing; Zhao, Ni; Di, Bin; Ma, Ying; Xu, Li-li","Synthesis, crystal structures and properties of five novel coordination polymers and application in removing heavy metals from water","Inorganica Chimica Acta","2020","507","","119598","","10.1016/j.ica.2020.119598","","","0.71073","MoKα","","0.0451","0.0384","","","0.0817","0.0841","","","","","","1.08","","","","has coordinates,has disorder","269368","2021-09-29","08:17:04",""
"1564753","10.5548","0.0004","16.5762","0.0005","12.2879","0.0005","90","","109.242","0.004","90","","2029.77","0.14","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N2 O9 Zn -","- C18 H25 N2 O9 Zn -","- C72 H100 N8 O36 Zn4 -","4","1","","Li, Kan; Li, Jing-jing; Zhao, Ni; Di, Bin; Ma, Ying; Xu, Li-li","Synthesis, crystal structures and properties of five novel coordination polymers and application in removing heavy metals from water","Inorganica Chimica Acta","2020","507","","119598","","10.1016/j.ica.2020.119598","","","0.71073","MoKα","","0.0477","0.0308","","","0.0701","0.0777","","","","","","1.062","","","","has coordinates","269368","2021-09-29","08:17:04",""
"1564754","7.3286","0.0002","9.3775","0.0003","13.3478","0.0004","103.527","0.003","102.627","0.002","100.436","0.003","843.81","0.05","298.46","0.1","298.46","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N2 Ni O5 -","- C18 H17 N2 Ni O5 -","- C36 H34 N4 Ni2 O10 -","2","1","","Li, Kan; Li, Jing-jing; Zhao, Ni; Di, Bin; Ma, Ying; Xu, Li-li","Synthesis, crystal structures and properties of five novel coordination polymers and application in removing heavy metals from water","Inorganica Chimica Acta","2020","507","","119598","","10.1016/j.ica.2020.119598","","x-ray","0.71073","MoKα","","0.0335","0.0292","","","0.0732","0.075","","","","","","1.069","","","","has coordinates","269368","2021-09-29","08:17:04",""
"1564755","35.6022","0.001","10.8915","0.0003","20.6144","0.0005","90","","113.248","0.002","90","","7344.4","0.4","298.33","0.1","298.33","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cu2 N4 O10 -","- C36 H33.5 Cu2 N4 O9.75 -","- C288 H268 Cu16 N32 O78 -","8","1","","Li, Kan; Li, Jing-jing; Zhao, Ni; Di, Bin; Ma, Ying; Xu, Li-li","Synthesis, crystal structures and properties of five novel coordination polymers and application in removing heavy metals from water","Inorganica Chimica Acta","2020","507","","119598","","10.1016/j.ica.2020.119598","","x-ray","0.71073","MoKα","","0.054","0.037","","","0.103","0.11","","","","","","1.009","","","","has coordinates","269368","2021-09-29","08:17:04",""
"1564756","13.0557","0.0011","7.4003","0.0006","13.5518","0.0012","90","","103.19","0.003","90","","1274.78","0.19","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Co N O6 -","- C13 H11 Co N O6 -","- C52 H44 Co4 N4 O24 -","4","1","","Zhang, Xiao-Yu; Wen, Hui-Fang; Yang, Qing-Feng; Zhou, Rui-Sha; Song, Jiang-Feng","Eight new coordination polymers containing rigid 4-(4-carboxy-phenyl)-pyridine-2-carboxylic acid: Synthesis, structural diversity, fluorescence and magnetic properties","Inorganica Chimica Acta","2020","507","","119600","","10.1016/j.ica.2020.119600","","","0.71073","MoKα","","0.0249","0.022","","","0.0591","0.0613","","","","","","1.065","","","","has coordinates","269369","2021-09-29","08:25:42",""
"1564757","12.984","0.0003","7.3739","0.0002","13.4907","0.0003","90","","103.26","0.001","90","","1257.2","0.05","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N Ni O6 -","- C13 H11 N Ni O6 -","- C52 H44 N4 Ni4 O24 -","4","1","","Zhang, Xiao-Yu; Wen, Hui-Fang; Yang, Qing-Feng; Zhou, Rui-Sha; Song, Jiang-Feng","Eight new coordination polymers containing rigid 4-(4-carboxy-phenyl)-pyridine-2-carboxylic acid: Synthesis, structural diversity, fluorescence and magnetic properties","Inorganica Chimica Acta","2020","507","","119600","","10.1016/j.ica.2020.119600","","","0.71073","MoKα","","0.0409","0.0275","","","0.0598","0.066","","","","","","1.041","","","","has coordinates","269369","2021-09-29","08:25:43",""
"1564758","12.9811","0.0007","7.4222","0.0004","13.6782","0.0008","90","","102.93","0.002","90","","1284.46","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O6 Zn -","- C13 H11 N O6 Zn -","- C52 H44 N4 O24 Zn4 -","4","1","","Zhang, Xiao-Yu; Wen, Hui-Fang; Yang, Qing-Feng; Zhou, Rui-Sha; Song, Jiang-Feng","Eight new coordination polymers containing rigid 4-(4-carboxy-phenyl)-pyridine-2-carboxylic acid: Synthesis, structural diversity, fluorescence and magnetic properties","Inorganica Chimica Acta","2020","507","","119600","","10.1016/j.ica.2020.119600","","","0.71073","MoKα","","0.0392","0.0267","","","0.0616","0.0678","","","","","","1.006","","","","has coordinates","269369","2021-09-29","08:25:43",""
"1564759","8.3002","0.0006","23.3365","0.0019","7.1702","0.0005","90","","113.14","0.002","90","","1277.11","0.17","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H11 Cd N O6 -","- C13 H11 Cd N O6 -","- C52 H44 Cd4 N4 O24 -","4","1","","Zhang, Xiao-Yu; Wen, Hui-Fang; Yang, Qing-Feng; Zhou, Rui-Sha; Song, Jiang-Feng","Eight new coordination polymers containing rigid 4-(4-carboxy-phenyl)-pyridine-2-carboxylic acid: Synthesis, structural diversity, fluorescence and magnetic properties","Inorganica Chimica Acta","2020","507","","119600","","10.1016/j.ica.2020.119600","","","0.71073","MoKα","","0.0341","0.0261","","","0.0467","0.0494","","","","","","0.976","","","","has coordinates","269369","2021-09-29","08:25:43",""
"1564760","15.843","0.0005","7.0413","0.0002","9.6893","0.0003","90","","91.159","0.001","90","","1080.67","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Cd N2 O8 -","- C26 H16 Cd N2 O8 -","- C52 H32 Cd2 N4 O16 -","2","0.5","","Zhang, Xiao-Yu; Wen, Hui-Fang; Yang, Qing-Feng; Zhou, Rui-Sha; Song, Jiang-Feng","Eight new coordination polymers containing rigid 4-(4-carboxy-phenyl)-pyridine-2-carboxylic acid: Synthesis, structural diversity, fluorescence and magnetic properties","Inorganica Chimica Acta","2020","507","","119600","","10.1016/j.ica.2020.119600","","","0.71073","MoKα","","0.0375","0.0281","","","0.0594","0.0667","","","","","","1.188","","","","has coordinates","269369","2021-09-29","08:25:43",""
"1564761","17.0629","0.0008","7.076","0.0003","8.9028","0.0003","90","","92.509","0.002","90","","1073.87","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Mn N2 O8 -","- C26 H16 Mn N2 O8 -","- C52 H32 Mn2 N4 O16 -","2","0.5","","Zhang, Xiao-Yu; Wen, Hui-Fang; Yang, Qing-Feng; Zhou, Rui-Sha; Song, Jiang-Feng","Eight new coordination polymers containing rigid 4-(4-carboxy-phenyl)-pyridine-2-carboxylic acid: Synthesis, structural diversity, fluorescence and magnetic properties","Inorganica Chimica Acta","2020","507","","119600","","10.1016/j.ica.2020.119600","","","0.71073","MoKα","","0.0417","0.0303","","","0.0684","0.0749","","","","","","1.035","","","","has coordinates","269369","2021-09-29","08:25:43",""
"1564762","5.0488","0.0001","7.0315","0.0002","15.7214","0.0005","90.55","0.001","97.649","0.001","106.136","0.001","530.73","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 Cu N2 O8 -","- C26 H16 Cu N2 O8 -","- C26 H16 Cu N2 O8 -","1","0.5","","Zhang, Xiao-Yu; Wen, Hui-Fang; Yang, Qing-Feng; Zhou, Rui-Sha; Song, Jiang-Feng","Eight new coordination polymers containing rigid 4-(4-carboxy-phenyl)-pyridine-2-carboxylic acid: Synthesis, structural diversity, fluorescence and magnetic properties","Inorganica Chimica Acta","2020","507","","119600","","10.1016/j.ica.2020.119600","","","0.71073","MoKα","","0.0253","0.0241","","","0.0644","0.0651","","","","","","1.085","","","","has coordinates","269369","2021-09-29","08:25:43",""
"1564763","14.5957","0.0014","6.6122","0.0007","13.3528","0.0015","90","","113.321","0.004","90","","1183.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O5 Pb -","- C13 H9 N O5 Pb -","- C52 H36 N4 O20 Pb4 -","4","1","","Zhang, Xiao-Yu; Wen, Hui-Fang; Yang, Qing-Feng; Zhou, Rui-Sha; Song, Jiang-Feng","Eight new coordination polymers containing rigid 4-(4-carboxy-phenyl)-pyridine-2-carboxylic acid: Synthesis, structural diversity, fluorescence and magnetic properties","Inorganica Chimica Acta","2020","507","","119600","","10.1016/j.ica.2020.119600","","","0.71073","MoKα","","0.0228","0.0162","","","0.0329","0.0351","","","","","","1.01","","","","has coordinates","269369","2021-09-29","08:25:44",""
"1564832","11.2146","0.0004","11.2687","0.0004","12.4625","0.0004","108.619","0.003","97.149","0.003","116.991","0.004","1260.47","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C3 H32 Mn N Na4 O22 P3 -","- C3 H32 Mn N Na4 O22 P3 -","- C6 H64 Mn2 N2 Na8 O44 P6 -","2","1","","Somov, N.V.; Chausov, F.F.; Lomova, N.V.; Shumilova, M.A.; Zhirov, D.K.","Tetra-sodium Nitrilo-tris(methylenephosphonato)-manganate(II) Na4[MnII{N(CH2PO3)3}] 13H2O: Synthesis and Some Structural Features","Crystallography Reports","2020","65","2","233","241","10.1134/S1063774520020224","","x-ray","0.71073","MoKα","","0.0368","0.0288","","","0.0703","0.0747","","","","","","1.036","","","","has coordinates","269587","2021-10-05","10:48:40",""
"1564833","10.0096","0.0002","11.033","0.0002","12.2893","0.0002","84.718","0.001","79.544","0.002","67.058","0.002","1228.73","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C3 H32 Cu N Na4 O22 P3 -","- C3 H32 Cu N Na4 O22 P3 -","- C6 H64 Cu2 N2 Na8 O44 P6 -","2","1","","Somov, N.V.; Chausov, F.F.; Lomova, N.V.; Vorobyov, V.L.; Kazantseva, I.S.; Sapozhnikov, G.V.; Zakirova, R.M.","The Crystal-Chemical Features of Phases and the Nature of the Coordination Bond in the System [CuxNi(1 x){N(CH2PO3)3}]Na4 nH2O (x = 01)","CRYSTALLOGRAPHY REPORTS","2020","65","5","726","739","10.1134/S1063774520050211","","x-ray","0.71073","MoKα","","0.0257","0.0235","","","0.0719","0.0734","","","","","","0.985","","","","has coordinates","269588","2021-10-05","10:48:51",""
"1564834","10.0266","0.0003","11.0676","0.0004","12.3608","0.0003","84.999","0.002","79.582","0.002","67.001","0.003","1241.63","0.07","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C3 H32 Cu0.54 N Na4 Ni0.46 O22 P3 -","- C3 H32 Cu0.546 N Na4 Ni0.454 O22 P3 -","- C6 H64 Cu1.092 N2 Na8 Ni0.908 O44 P6 -","2","1","","Somov, N.V.; Chausov, F.F.; Lomova, N.V.; Vorobyov, V.L.; Kazantseva, I.S.; Sapozhnikov, G.V.; Zakirova, R.M.","The Crystal-Chemical Features of Phases and the Nature of the Coordination Bond in the System [CuxNi(1 x){N(CH2PO3)3}]Na4 nH2O (x = 01)","CRYSTALLOGRAPHY REPORTS","2020","65","5","726","739","10.1134/S1063774520050211","","x-ray","0.71073","MoKα","","0.0216","0.0203","","","0.0536","0.0542","","","","","","1.107","","","","has coordinates,has disorder","269589","2021-10-05","10:49:03",""
"1564835","10.0118","0.0002","11.0311","0.0003","12.3038","0.0003","84.785","0.002","79.504","0.002","66.971","0.002","1229.34","0.05","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C3 H32 Cu0.23 N Na4 Ni0.77 O22 P3 -","- C3 H32 Cu0.2263 N Na4 Ni0.7737 O22 P3 -","- C6 H64 Cu0.4526 N2 Na8 Ni1.5474 O44 P6 -","2","1","","Somov, N.V.; Chausov, F.F.; Lomova, N.V.; Vorobyov, V.L.; Kazantseva, I.S.; Sapozhnikov, G.V.; Zakirova, R.M.","The Crystal-Chemical Features of Phases and the Nature of the Coordination Bond in the System [CuxNi(1 x){N(CH2PO3)3}]Na4 nH2O (x = 01)","CRYSTALLOGRAPHY REPORTS","2020","65","5","726","739","10.1134/S1063774520050211","","x-ray","0.71073","MoKα","","0.0315","0.025","","","0.0584","0.0606","","","","","","1.013","","","","has coordinates,has disorder","269590","2021-10-05","10:49:16",""
"1564836","12.0625","0.0003","18.7047","0.0004","21.1297","0.0006","90","","104.464","0.003","90","","4616.3","0.2","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C3 H30 Cu0.55 N Na4 Ni0.45 O21 P3 -","- C3 H30 Cu0.547 N Na4 Ni0.453 O21 P3 -","- C24 H240 Cu4.376 N8 Na32 Ni3.624 O168 P24 -","8","1","","Somov, N.V.; Chausov, F.F.; Lomova, N.V.; Vorobyov, V.L.; Kazantseva, I.S.; Sapozhnikov, G.V.; Zakirova, R.M.","The Crystal-Chemical Features of Phases and the Nature of the Coordination Bond in the System [CuxNi(1 x){N(CH2PO3)3}]Na4 nH2O (x = 01)","CRYSTALLOGRAPHY REPORTS","2020","65","5","726","739","10.1134/S1063774520050211","","x-ray","0.71073","MoKα","","0.0636","0.0426","","","0.0838","0.091","","","","","","1.077","","","","has coordinates","269591","2021-10-05","10:49:30",""
"1564854","12.7841","0.0008","16.8747","0.0011","14.8528","0.0009","90","","90.914","0.001","90","","3203.8","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H34 N6 O23 Sm2 -","- C15 H34 N6 O23 Sm2 -","- C60 H136 N24 O92 Sm8 -","4","0.5","","Zhang, Nan; Li, Bing; Wang, Xuemeng; Liu, Dongqi; Han, Xue; Bai, Fengying; Xing, Yongheng","High-efficiency fluorescent probe constructed by triazine polycarboxylic acid for detecting nitro compounds","Inorganica Chimica Acta","2020","507","","119591","","10.1016/j.ica.2020.119591","","","0.71073","MoKα","","0.0578","0.0394","","","0.1069","0.1169","","","","","","1.087","","","","has coordinates","269819","2021-10-07","07:14:11",""
"1564855","13.859","0.002","13.042","0.002","8.2384","0.0013","90","","90","","90","","1489.1","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H21 N3 O3 W -","- C12 H18 N3 O3 W -","- C48 H72 N12 O12 W4 -","4","0.5","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.0504","0.0389","","","0.0917","0.0976","","","","","","0.868","","","","has coordinates","269820","2021-10-07","07:20:24",""
"1564856","13.931","0.006","13.025","0.006","8.356","0.004","90","","90","","90","","1516.2","1.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H21 Mo N3 O3 -","- C12 H21 Mo N3 O3 -","- C48 H84 Mo4 N12 O12 -","4","0.5","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.222","0.0401","","","0.1204","0.1736","","","","","","1.227","","","","has coordinates","269821","2021-10-07","07:21:30",""
"1564857","9.0072","0.0019","8.8123","0.0018","12.495","0.003","90","","90","","90","","991.8","0.4","296","2","296","2","","","","","","","","8","P m n 21","P 2ac -2","31","","","","- C12 H21 F6 I N3 O3 P W -","- C12 H18 F6 I N3 O3 P W -","- C24 H36 F12 I2 N6 O6 P2 W2 -","2","0.5","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.0493","0.0455","","","0.1051","0.1078","","","","","","0.901","","","","has coordinates","269822","2021-10-07","07:22:41",""
"1564858","7.2769","0.0012","14.884","0.003","16.441","0.003","90","","90","","90","","1780.7","0.6","296","2","296","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C9 H21 Cl2 F6 Mo N3 O P -","- C9 H18 Cl2 F6 Mo N3 O P -","- C36 H72 Cl8 F24 Mo4 N12 O4 P4 -","4","0.5","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.0856","0.0693","","","0.2073","0.2321","","","","","","1.107","","","","has coordinates","269823","2021-10-07","07:23:49",""
"1564859","9.036","0.005","13.639","0.007","27.171","0.013","90","","90","","90","","3349","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H29 N3 O7 W -","- C9 H29 N3 O7 W -","- C72 H232 N24 O56 W8 -","8","1","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.0351","0.026","","","0.0569","0.0607","","","","","","1.006","","","","has coordinates","269824","2021-10-07","07:25:05",""
"1564860","9.0217","0.0011","13.6776","0.0016","27.105","0.003","90","","90","","90","","3344.6","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H29 Mo N3 O7 -","- C9 H29 Mo N3 O7 -","- C72 H232 Mo8 N24 O56 -","8","1","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.0426","0.0337","","","0.0821","0.0895","","","","","","1.042","","","","has coordinates","269825","2021-10-07","07:26:06",""
"1564861","8.4175","0.0009","10.2748","0.0012","14.4639","0.0016","69.8019","0.0012","88.2229","0.0013","77.6266","0.0012","1145.5","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H31 I N4 O4 S2 W -","- C14 H31 I N4 O4 S2 W -","- C28 H62 I2 N8 O8 S4 W2 -","2","1","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.0368","0.0322","","","0.076","0.0792","","","","","","1.047","","","","has coordinates","269826","2021-10-07","07:27:49",""
"1564862","7.795","0.003","23.024","0.008","12.557","0.004","90","","91.546","0.004","90","","2252.8","1.4","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H27 F6 Mo N4 O2 P S2 -","- C14 H27 F6 Mo N4 O2 P S2 -","- C56 H108 F24 Mo4 N16 O8 P4 S8 -","4","1","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.1279","0.0684","","","0.172","0.2077","","","","","","1.004","","","","has coordinates","269827","2021-10-07","07:29:03",""
"1564863","25.6","0.003","15.458","0.002","13.864","0.0018","90","","107.595","0.0016","90","","5229.7","1.1","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H37 I N4 O3 S2 W -","- C18 H35 I N4 O3 S2 W -","- C144 H280 I8 N32 O24 S16 W8 -","8","1","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.0635","0.0486","","","0.1496","0.1599","","","","","","1.028","","","","has coordinates","269828","2021-10-07","07:30:15",""
"1564864","15.0891","0.0018","12.2698","0.0014","15.2625","0.0018","90","","111.29","0.002","90","","2632.9","0.5","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H35 F6 Mo N4 O2 P S2 -","- C18 H35 F6 Mo N4 O2 P S2 -","- C72 H140 F24 Mo4 N16 O8 P4 S8 -","4","1","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.1769","0.1203","","","0.3343","0.3851","","","","","","1.242","","","","has coordinates","269829","2021-10-07","07:31:27",""
"1564865","13.662","0.002","15.028","0.003","14.197","0.002","90","","110.651","0.002","90","","2727.5","0.8","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H35 F6 Mo N4 O2 P S2 -","- C18 H35 F6 Mo N4 O2 P S2 -","- C72 H140 F24 Mo4 N16 O8 P4 S8 -","4","1","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.0718","0.0571","","","0.1764","0.1919","","","","","","1.306","","","","has coordinates","269830","2021-10-07","07:32:20",""
"1564866","8.1388","0.0017","8.8099","0.0018","13.625","0.003","93.464","0.002","104.352","0.002","91.593","0.002","943.8","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H50 F12 Mo2 N8 O5 P2 -","- C22 H50 F12 Mo2 N8 O5 P2 -","- C22 H50 F12 Mo2 N8 O5 P2 -","1","0.5","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.0521","0.0459","","","0.1419","0.1518","","","","","","1.127","","","","has coordinates","269831","2021-10-07","07:33:24",""
"1564867","12.066","0.003","10.388","0.003","10.613","0.003","90","","90","","90","","1330.3","0.6","296","2","296","2","","","","","","","","6","A e m 2","A 2 -2b","39","","","","- C9 H21 Mo N3 O2 S -","- C9 H21 Mo N3 O2 S -","- C36 H84 Mo4 N12 O8 S4 -","4","0.5","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.022","0.0217","","","0.0541","0.0544","","","","","","1.102","","","","has coordinates","269832","2021-10-07","07:34:23",""
"1564868","8.673","0.016","8.673","0.016","36.26","0.07","90","","90","","120","","2362","8","296","2","296","2","","","","","","","","6","P 61","P 61","169","","","","- C9 H21 Mo N3 O S4 -","- C9 H21 Mo N3 O S4 -","- C54 H126 Mo6 N18 O6 S24 -","6","1","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.1045","0.0594","","","0.1432","0.1737","","","","","","0.939","","","","has coordinates","269833","2021-10-07","07:35:26",""
"1564869","11.6762","0.0007","8.0358","0.0004","15.1245","0.0009","90","","111.631","0.006","90","","1319.16","0.14","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H24 Cd N10 O8 -","- C24 H24 Cd N10 O8 -","- C48 H48 Cd2 N20 O16 -","2","0.5","","Zhang, Hong-Bin; Zhang, Xiao-Fang; Chai, Lan-Qin; Tang, Li-Jian; Zhang, Hong-Song","Zinc(II) and Cadmium(II) complexes containing imidazole ring: Structural, spectroscopic, antibacterial, DFT calculations and Hirshfeld surface analysis","Inorganica Chimica Acta","2020","507","","119610","","10.1016/j.ica.2020.119610","","","0.71073","MoKα","","0.0469","0.04","","","0.0946","0.1016","","","","","","1.046","","","","has coordinates","269834","2021-10-07","07:40:49",""
"1564870","9.1318","0.0007","17.792","0.0017","10.1461","0.0008","90","","104.34","0.008","90","","1597.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 N10 O10 Zn -","- C26 H32 N10 O10 Zn -","- C52 H64 N20 O20 Zn2 -","2","0.5","","Zhang, Hong-Bin; Zhang, Xiao-Fang; Chai, Lan-Qin; Tang, Li-Jian; Zhang, Hong-Song","Zinc(II) and Cadmium(II) complexes containing imidazole ring: Structural, spectroscopic, antibacterial, DFT calculations and Hirshfeld surface analysis","Inorganica Chimica Acta","2020","507","","119610","","10.1016/j.ica.2020.119610","","","0.71073","MoKα","","0.0781","0.0483","","","0.1027","0.1222","","","","","","1.044","","","","has coordinates","269834","2021-10-07","07:40:50",""
"1564871","8.1246","0.0016","13.74","0.003","17.365","0.003","71.02","0.03","82.53","0.03","80.15","0.03","1800.3","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H60 Cl4 F12 N4 Nd2 O16 P2 -","- C48 H60 Cl4 F12 N4 Nd2 O16 P2 -","- C48 H60 Cl4 F12 N4 Nd2 O16 P2 -","1","0.5","","Zou, Xiaoyan; Du, Chenyu; Dong, Yanping; Li, Guangming","Slow relaxation of two dimensional salen type lanthanide coordination polymer","Inorganica Chimica Acta","2020","507","","119455","","10.1016/j.ica.2020.119455","","","0.71073","MoKα","","0.1228","0.074","","","0.1778","0.2101","","","","","","0.999","","","","has coordinates","269835","2021-10-07","07:52:33",""
"1564872","12.351","0.003","23.881","0.005","15.407","0.006","90","","126.76","0.02","90","","3641","2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 Cl8 F12 N4 O16 P2 Sm2 -","- C50 H64 Cl8 F12 N4 O16 P2 Sm2 -","- C100 H128 Cl16 F24 N8 O32 P4 Sm4 -","2","0.5","","Zou, Xiaoyan; Du, Chenyu; Dong, Yanping; Li, Guangming","Slow relaxation of two dimensional salen type lanthanide coordination polymer","Inorganica Chimica Acta","2020","507","","119455","","10.1016/j.ica.2020.119455","","","0.71073","MoKα","","0.1374","0.067","","","0.1724","0.2071","","","","","","0.955","","","","has coordinates","269836","2021-10-07","07:54:01",""
"1564873","8.1076","0.0016","13.744","0.003","17.225","0.003","70.59","0.03","82.28","0.03","80.23","0.03","1777.8","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H60 Cl4 Eu2 F12 N4 O16 P2 -","- C48 H60 Cl4 Eu2 F12 N4 O16 P2 -","- C48 H60 Cl4 Eu2 F12 N4 O16 P2 -","1","0.5","","Zou, Xiaoyan; Du, Chenyu; Dong, Yanping; Li, Guangming","Slow relaxation of two dimensional salen type lanthanide coordination polymer","Inorganica Chimica Acta","2020","507","","119455","","10.1016/j.ica.2020.119455","","","0.71073","MoKα","","0.0794","0.0555","","","0.1472","0.1716","","","","","","1.004","","","","has coordinates","269837","2021-10-07","07:55:32",""
"1564874","12.2665","0.0008","23.2104","0.0016","15.2805","0.0008","90","","126.165","0.004","90","","3512.3","0.4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 Cl8 F12 Gd2 N4 O16 P2 -","- C50 H64 Cl8 F12 Gd2 N4 O16 P2 -","- C100 H128 Cl16 F24 Gd4 N8 O32 P4 -","2","0.5","","Zou, Xiaoyan; Du, Chenyu; Dong, Yanping; Li, Guangming","Slow relaxation of two dimensional salen type lanthanide coordination polymer","Inorganica Chimica Acta","2020","507","","119455","","10.1016/j.ica.2020.119455","","","0.71073","MoKα","","0.0885","0.0534","","","0.1196","0.1334","","","","","","1.08","","","","has coordinates","269838","2021-10-07","07:56:38",""
"1564875","8.0876","0.0016","13.981","0.003","17.126","0.003","70.44","0.03","81.52","0.03","79.34","0.03","1785.6","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H60 Cl4 F12 N4 O16 P2 Tb2 -","- C48 H60 Cl4 F12 N4 O16 P2 Tb2 -","- C48 H60 Cl4 F12 N4 O16 P2 Tb2 -","1","0.5","","Zou, Xiaoyan; Du, Chenyu; Dong, Yanping; Li, Guangming","Slow relaxation of two dimensional salen type lanthanide coordination polymer","Inorganica Chimica Acta","2020","507","","119455","","10.1016/j.ica.2020.119455","","","0.71073","MoKα","","0.0659","0.0532","","","0.147","0.1607","","","","","","1.066","","","","has coordinates","269839","2021-10-07","07:58:14",""
"1564876","22.0467","0.0019","15.6792","0.0013","12.9306","0.0011","90","","99.403","0.002","90","","4409.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H53 N7 O3 Ru -","- C40 H53 N7 O3 Ru -","- C160 H212 N28 O12 Ru4 -","4","0.5","","Xu, Nan; Bevak, Alexander; Roesch, Joseph; Armstrong, Bernadette; Abucayon, Erwin; Bell, Zachary; Powell, Douglas R.; Richter-Addo, George B.","Unusual monodentate binding of a C-NONOate ligand in the nitrosyl complex (OEP)Ru(NO)(η1-ONN(t-Bu)O)","Inorganica Chimica Acta","2020","507","","119567","","10.1016/j.ica.2020.119567","","","0.71073","MoKα","","0.0741","0.0556","","","0.1205","0.1302","","","","","","1.003","","","","has coordinates","269840","2021-10-07","08:02:29",""
"1564877","14.4704","0.0017","15.7849","0.0017","8.3677","0.001","90","","94.269","0.004","90","","1906","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 B2 Cu2 F8 N12 S6 -","- C24 H36 B2 Cu2 F8 N12 S6 -","- C48 H72 B4 Cu4 F16 N24 S12 -","2","0.5","","Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L.","Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion","Inorganica Chimica Acta","2020","507","","119568","","10.1016/j.ica.2020.119568","","","0.71073","MoKα","","0.0242","0.0216","","","0.0593","0.0608","","","","","","1.109","","","","has coordinates","269841","2021-10-07","08:21:49",""
"1564878","8.6291","0.0009","13.5838","0.0016","10.3684","0.0011","90","","100.436","0.004","90","","1195.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Cu N10 O8 S2 -","- C16 H24 Cu N10 O8 S2 -","- C32 H48 Cu2 N20 O16 S4 -","2","0.5","","Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L.","Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion","Inorganica Chimica Acta","2020","507","","119568","","10.1016/j.ica.2020.119568","","","0.71073","MoKα","","0.0293","0.0253","","","0.0592","0.0609","","","","","","1.074","","","","has coordinates","269842","2021-10-07","08:24:28",""
"1564879","8.3452","0.0004","8.4167","0.0005","20.3354","0.0012","90","","99.568","0.002","90","","1408.47","0.14","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 Cu N8 O10 S4 -","- C18 H30 Cu N8 O10 S4 -","- C36 H60 Cu2 N16 O20 S8 -","2","0.5","","Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L.","Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion","Inorganica Chimica Acta","2020","507","","119568","","10.1016/j.ica.2020.119568","","","0.71073","MoKα","","0.0431","0.0346","","","0.0825","0.086","","","","","","1.065","","","","has coordinates","269843","2021-10-07","08:26:04",""
"1564880","8.0915","0.0004","8.6847","0.0005","9.5541","0.0005","84.5081","0.0019","87.577","0.0019","89.586","0.002","667.71","0.06","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H26 Cu N8 O10 S4 -","- C16 H26 Cu N8 O10 S4 -","- C16 H26 Cu N8 O10 S4 -","1","0.5","","Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L.","Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion","Inorganica Chimica Acta","2020","507","","119568","","10.1016/j.ica.2020.119568","","","0.71073","MoKα","","0.0354","0.0292","","","0.0861","0.1006","","","","","","1.16","","","","has coordinates","269844","2021-10-07","08:27:33",""
"1564881","8.6675","0.0013","12.442","0.002","13.658","0.002","70.8","0.005","79.904","0.005","78.593","0.005","1353.8","0.4","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H28 Cu N8 O10 S4 -","- C17 H28 Cu N8 O10 S4 -","- C34 H56 Cu2 N16 O20 S8 -","2","1","","Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L.","Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion","Inorganica Chimica Acta","2020","507","","119568","","10.1016/j.ica.2020.119568","","","0.71073","MoKα","","0.0346","0.0289","","","0.0706","0.074","","","","","","1.024","","","","has coordinates,has disorder","269845","2021-10-07","08:28:47",""
"1564882","9.0467","0.0008","12.265","0.0011","13.2201","0.0012","72.176","0.003","81.14","0.003","74.481","0.003","1341.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Cu N8 O9 S4 -","- C18 H28 Cu N8 O9 S4 -","- C36 H56 Cu2 N16 O18 S8 -","2","1","","Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L.","Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion","Inorganica Chimica Acta","2020","507","","119568","","10.1016/j.ica.2020.119568","","","0.71073","MoKα","","0.0396","0.0313","","","0.0828","0.092","","","","","","1.17","","","","has coordinates","269846","2021-10-07","08:31:40",""
"1564883","7.2792","0.0007","9.7671","0.0009","10.1282","0.0009","95.449","0.003","104.276","0.003","96.167","0.003","688.27","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 Cu N4 O5 S2 -","- C9 H14 Cu N4 O5 S2 -","- C18 H28 Cu2 N8 O10 S4 -","2","1","","Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L.","Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion","Inorganica Chimica Acta","2020","507","","119568","","10.1016/j.ica.2020.119568","","","0.71073","MoKα","","0.0337","0.0266","","","0.0886","0.1019","","","","","","1.164","","","","has coordinates","269847","2021-10-07","08:32:58",""
"1564884","12.4725","0.0004","9.4873","0.0003","15.3776","0.0005","90","","96.348","0.001","90","","1808.48","0.1","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C11 H19 Cu N4 O5.5 S3.5 -","- C11 H19 Cu N4 O5.5 S3.5 -","- C44 H76 Cu4 N16 O22 S14 -","4","1","","Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L.","Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion","Inorganica Chimica Acta","2020","507","","119568","","10.1016/j.ica.2020.119568","","","0.71073","MoKα","","0.0528","0.0427","","","0.085","0.0896","","","","","","1.066","","","","has coordinates,has disorder","269848","2021-10-07","08:34:19",""
"1564885","12.6665","0.0007","12.41","0.0007","4.8699","0.0003","90","","99.2339","0.0017","90","","755.59","0.08","150","2","150","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C10 H13 Cu N5 O4 S2 -","- C10 H13 Cu N5 O4 S2 -","- C20 H26 Cu2 N10 O8 S4 -","2","0.5","","Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L.","Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion","Inorganica Chimica Acta","2020","507","","119568","","10.1016/j.ica.2020.119568","","","0.71073","MoKα","","0.0402","0.0339","","","0.0583","0.0602","","","","","","0.966","","","","has coordinates,has disorder","269849","2021-10-07","08:35:35",""
"1564886","16.3614","0.0008","13.9033","0.0007","6.9472","0.0003","90","","98.539","0.002","90","","1562.81","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H16 Cu N5 O4 S2 -","- C8 H12 Cu N4 S2 -","- C32 H48 Cu4 N16 S8 -","4","1","","Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L.","Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion","Inorganica Chimica Acta","2020","507","","119568","","10.1016/j.ica.2020.119568","","","0.71073","MoKα","","0.0309","0.0282","","","0.0696","0.0711","","","","","","1.027","","","","has coordinates","269850","2021-10-07","08:37:09",""
"1564887","6.4334","0.0004","30.109","0.002","9.1569","0.0007","90","","90","","90","","1773.7","0.2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H12 Cu2 N8 O6 S3 -","- C9 H12 Cu2 N8 O6 S3 -","- C36 H48 Cu8 N32 O24 S12 -","4","0.5","","Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L.","Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion","Inorganica Chimica Acta","2020","507","","119568","","10.1016/j.ica.2020.119568","","","0.71073","MoKα","","0.0471","0.0395","","","0.114","0.1312","","","","","","1.154","","","","has coordinates","269851","2021-10-07","08:38:31",""
"1564918","12.965","0.002","9.3876","0.0016","9.9875","0.0018","90","","107.985","0.007","90","","1156.2","0.3","95","2","95","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 Fe N0 O7 P2 -","- C8 H11 Fe O7 P2 -","- C32 H44 Fe4 O28 P8 -","4","1","","Lopez, Valerie; Minichelli, Julian; Case, Derek; Ruhlandt, Karin; Doyle, Robert P.; Zubieta, Jon","Hydrothermal synthesis and structure of a two-dimensional Fe(III)-organodiphosphonate compound, [Fe(O3PCH2C6H4CH2PO3H)(H2O)], and an Expansion of the Harris Notation","Inorganica Chimica Acta","2020","506","","119518","","10.1016/j.ica.2020.119518","","","0.71073","MoKα","","0.1088","0.0533","","","0.1053","0.1252","","","","","","1.006","","","","has coordinates","269946","2021-10-14","08:48:52",""
"1564919","9.8757","0.0005","17.9045","0.0009","11.8419","0.0005","90","","106.545","0.002","90","","2007.18","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Cd Mn O16 -","- C10 H24 Cd Mn O16 -","- C40 H96 Cd4 Mn4 O64 -","4","1","","Li, Zhong-Yi; Zhou, Xue-Qing; Zhang, Rong-Rong; Zhang, Xiang-Fei; Wu, Dong-Qing; Zhai, Bin","A new approach to prepare the Mn(II)-based magnetic refrigerant through incorporating diamagnetic Cd(II) ion","Inorganica Chimica Acta","2020","506","","119527","","10.1016/j.ica.2020.119527","","","0.71073","MoKα","","0.0305","0.0233","","","0.054","0.0571","","","","","","1.074","","","","has coordinates","269947","2021-10-14","09:15:34",""
"1564963","10.2173","0.0006","16.6676","0.0008","11.2467","0.0006","90","","111.514","0.007","90","","1781.85","0.19","289","0.8","289","0.8","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Co N6 O5 S -","- C16 H12 Co N6 O5 S -","- C64 H48 Co4 N24 O20 S4 -","4","1","","Yang, Ru-Xia; Lan, Hai-Ming; Zhu, Peng-Yin; Yang, Li-Zhen; Yu, Yu-Ming; Wang, Lu-Lu; Wang, Duo-Zhi","Synthesis, structures, magnetic and electric properties of four new coordination polymers constructed with heterocyclic nitrogen ligands and multidentate organic acid","Inorganica Chimica Acta","2020","506","","119410","","10.1016/j.ica.2019.119410","","x-ray","0.71073","MoKα","","0.0557","0.0449","","","0.1073","0.1139","","","","","","1.093","","","","has coordinates,has disorder","269987","2021-10-18","07:47:33",""
"1564964","9.9759","0.0004","13.6173","0.0005","15.68","0.0007","90","","102.235","0.004","90","","2081.67","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Co N6 O4 -","- C18 H12 Co N6 O4 -","- C72 H48 Co4 N24 O16 -","4","1","","Yang, Ru-Xia; Lan, Hai-Ming; Zhu, Peng-Yin; Yang, Li-Zhen; Yu, Yu-Ming; Wang, Lu-Lu; Wang, Duo-Zhi","Synthesis, structures, magnetic and electric properties of four new coordination polymers constructed with heterocyclic nitrogen ligands and multidentate organic acid","Inorganica Chimica Acta","2020","506","","119410","","10.1016/j.ica.2019.119410","","x-ray","0.71073","MoKα","","0.052","0.0399","","","0.0969","0.1036","","","","","","1.048","","","","has coordinates","269988","2021-10-18","07:48:52",""
"1564965","10.9102","0.0012","9.1746","0.0011","23.974","0.003","90","","99.402","0.004","90","","2367.5","0.5","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 Cu N6 O4 -","- C30 H18 Cu N6 O4 -","- C120 H72 Cu4 N24 O16 -","4","1","","Yang, Ru-Xia; Lan, Hai-Ming; Zhu, Peng-Yin; Yang, Li-Zhen; Yu, Yu-Ming; Wang, Lu-Lu; Wang, Duo-Zhi","Synthesis, structures, magnetic and electric properties of four new coordination polymers constructed with heterocyclic nitrogen ligands and multidentate organic acid","Inorganica Chimica Acta","2020","506","","119410","","10.1016/j.ica.2019.119410","","","0.71073","MoKα","","0.0569","0.0372","","","0.0889","0.0986","","","","","","1.037","","","","has coordinates,has disorder","269989","2021-10-18","07:50:48",""
"1564966","9.8545","0.0002","11.217","0.0001","19.5315","0.0004","86.084","0.001","75.619","0.002","89.875","0.001","2086.19","0.07","119.99","0.1","119.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H37 Mn N13 O8 -","- C44 H37 Mn N13 O8 -","- C88 H74 Mn2 N26 O16 -","2","1","","Yang, Ru-Xia; Lan, Hai-Ming; Zhu, Peng-Yin; Yang, Li-Zhen; Yu, Yu-Ming; Wang, Lu-Lu; Wang, Duo-Zhi","Synthesis, structures, magnetic and electric properties of four new coordination polymers constructed with heterocyclic nitrogen ligands and multidentate organic acid","Inorganica Chimica Acta","2020","506","","119410","","10.1016/j.ica.2019.119410","","x-ray","1.54184","CuKα","","0.0446","0.0429","","","0.1127","0.1141","","","","","","1.036","","","","has coordinates,has disorder","269990","2021-10-18","07:52:25",""
"1564967","38.1953","0.0009","38.1953","0.0009","10.8879","0.0003","90","","90","","120","","13756.1","0.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H28 Cu2 N10 O5 -","- C26 H28 Cu2 N10 O5 -","- C468 H504 Cu36 N180 O90 -","18","1","","Jayaweera, Nuwanthaka P.; Hall, Ashley E.; Wilson, Ashton A.; Konkle, Mary E.; Wheeler, Kraig A.; Semeniuc, Radu F.","Tuning the catecholase activity of bis(pyrazolyl)methane-based copper(II) complexes by substitutions of the ligand core: unraveling a dual O2/H2O2 oxidation mechanism","Inorganica Chimica Acta","2020","506","","119507","","10.1016/j.ica.2020.119507","","","1.54178","CuKα","","0.0398","0.0356","","","0.093","0.0954","","","","","","1.047","","","","has coordinates,has disorder","269991","2021-10-18","08:19:25",""
"1564968","8.8989","0.0014","23.167","0.004","11.1057","0.0016","90","","101.824","0.005","90","","2241","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Fe I N2 Te -","- C22 H23 Fe I N2 Te -","- C88 H92 Fe4 I4 N8 Te4 -","4","1","","Gonzalez, Rodary; Azpiroz, Ramón; Sharma, Pankaj; Villamizar C, Claudia P.; Anzaldo, Bertin; Pérez-Flores, Francisco J.; Toscano, Ruben Alfredo","Ferrocenylated Chalcogen (Se and Te)-containing N-heterocyclic carbenes: Selenones, silver and palladium complexes","Inorganica Chimica Acta","2020","506","","119531","","10.1016/j.ica.2020.119531","","","0.71073","MoKα","","0.0853","0.0481","","","0.0859","0.0963","","","","","","1.111","","","","has coordinates","269992","2021-10-18","08:24:21",""
"1564969","38.635","0.002","7.5167","0.0004","11.6786","0.0006","90","","104.075","0.002","90","","3289.7","0.3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H18 Fe N2 Se2 -","- C16 H18 Fe N2 Se2 -","- C128 H144 Fe8 N16 Se16 -","8","2","","Gonzalez, Rodary; Azpiroz, Ramón; Sharma, Pankaj; Villamizar C, Claudia P.; Anzaldo, Bertin; Pérez-Flores, Francisco J.; Toscano, Ruben Alfredo","Ferrocenylated Chalcogen (Se and Te)-containing N-heterocyclic carbenes: Selenones, silver and palladium complexes","Inorganica Chimica Acta","2020","506","","119531","","10.1016/j.ica.2020.119531","","","0.71073","MoKα","","0.0477","0.038","","","0.0559","0.0596","","","","","","1.133","","","","has coordinates","269993","2021-10-18","08:25:54",""
"1564970","14.0188","0.0006","10.0612","0.0004","14.3661","0.0005","90","","97.348","0.001","90","","2009.64","0.14","150","2","150.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Fe N2 Se2 -","- C22 H22 Fe N2 Se2 -","- C88 H88 Fe4 N8 Se8 -","4","1","","Gonzalez, Rodary; Azpiroz, Ramón; Sharma, Pankaj; Villamizar C, Claudia P.; Anzaldo, Bertin; Pérez-Flores, Francisco J.; Toscano, Ruben Alfredo","Ferrocenylated Chalcogen (Se and Te)-containing N-heterocyclic carbenes: Selenones, silver and palladium complexes","Inorganica Chimica Acta","2020","506","","119531","","10.1016/j.ica.2020.119531","","","0.71073","MoKα","","0.0268","0.0228","","","0.048","0.0497","","","","","","1.045","","","","has coordinates","269994","2021-10-18","08:28:08",""
"1564971","19.149","0.0008","8.1857","0.0004","14.848","0.0005","90","","112.553","0.002","90","","2149.41","0.16","250","2","250","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cl4 Fe N2 Pd Se -","- C17 H20 Cl4 Fe N2 Pd Se -","- C68 H80 Cl16 Fe4 N8 Pd4 Se4 -","4","1","","Gonzalez, Rodary; Azpiroz, Ramón; Sharma, Pankaj; Villamizar C, Claudia P.; Anzaldo, Bertin; Pérez-Flores, Francisco J.; Toscano, Ruben Alfredo","Ferrocenylated Chalcogen (Se and Te)-containing N-heterocyclic carbenes: Selenones, silver and palladium complexes","Inorganica Chimica Acta","2020","506","","119531","","10.1016/j.ica.2020.119531","","","0.71073","MoKα","","0.0746","0.0481","","","0.0778","0.0872","","","","","","1.183","","","","has coordinates,has disorder","269995","2021-10-18","08:30:12",""
"1564972","14.4995","0.0009","15.0132","0.0005","12.2077","0.0007","90","","98.782","0.006","90","","2626.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 N7 Ni O13 -","- C19 H13 N7 Ni O13 -","- C76 H52 N28 Ni4 O52 -","4","0.5","","Bori, Jugal; Mahata, Satyajit; Manivannan, Vadivelu","A new route for the synthesis of 2,4-bis(2-pyridyl)-6-(pyridyl)pyrimidines: Synthesis and characterization of Co(II), Ni(II) complexes of 2,4,6-tris(2-pyridyl)pyrimidine","Inorganica Chimica Acta","2020","506","","119506","","10.1016/j.ica.2020.119506","","","0.71073","MoKα","","0.0892","0.069","","","0.2063","0.2313","","","","","","1","","","","has coordinates","269996","2021-10-18","08:35:22",""
"1564973","8.7983","0.0006","13.6714","0.0007","15.8434","0.0008","97.758","0.004","103.528","0.005","90.351","0.005","1834.49","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H52 N24 Ni2 O13 -","- C76 H52 N24 Ni2 O13 -","- C76 H52 N24 Ni2 O13 -","1","0.5","","Bori, Jugal; Mahata, Satyajit; Manivannan, Vadivelu","A new route for the synthesis of 2,4-bis(2-pyridyl)-6-(pyridyl)pyrimidines: Synthesis and characterization of Co(II), Ni(II) complexes of 2,4,6-tris(2-pyridyl)pyrimidine","Inorganica Chimica Acta","2020","506","","119506","","10.1016/j.ica.2020.119506","","","0.71073","MoKα","","0.0835","0.067","","","0.1835","0.1985","","","","","","1.003","","","","has coordinates,has disorder","269996","2021-10-18","08:35:32",""
"1564974","8.8536","0.0009","13.6966","0.0014","15.8989","0.0016","98.402","0.003","103.957","0.003","90.379","0.003","1849.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H26 Co N12 O6.5 -","- C38 H26 Co N12 O6.5 -","- C76 H52 Co2 N24 O13 -","2","1","","Bori, Jugal; Mahata, Satyajit; Manivannan, Vadivelu","A new route for the synthesis of 2,4-bis(2-pyridyl)-6-(pyridyl)pyrimidines: Synthesis and characterization of Co(II), Ni(II) complexes of 2,4,6-tris(2-pyridyl)pyrimidine","Inorganica Chimica Acta","2020","506","","119506","","10.1016/j.ica.2020.119506","","","0.71073","MoKα","","0.1036","0.0767","","","0.2223","0.2441","","","","","","1.004","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1564975","10.2793","0.0003","19.5904","0.0004","9.6778","0.0003","90","","114.252","0.004","90","","1776.88","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Cu N3 O5 -","- C18 H19 Cu N3 O5 -","- C72 H76 Cu4 N12 O20 -","4","1","","Hosseinzadeh Sanatkar, Tahereh; Khorshidi, Alireza; Sohouli, Esmail; Janczak, Jan","Synthesis, crystal structure, and characterization of two Cu(II) and Ni(II) complexes of a tetradentate N2O2 Schiff base ligand and their application in fabrication of a hydrazine electrochemical sensor","Inorganica Chimica Acta","2020","506","","119537","","10.1016/j.ica.2020.119537","","","0.71073","MoKα","","0.036","0.0274","","","0.0633","0.0673","","","","","","1","","","","has coordinates","269997","2021-10-18","08:50:45",""
"1564976","19.5243","0.0008","18.6443","0.0007","10.1928","0.0004","90","","102.048","0.003","90","","3628.6","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 Ni O5 -","- C16 H16 N2 Ni O5 -","- C128 H128 N16 Ni8 O40 -","8","1","","Hosseinzadeh Sanatkar, Tahereh; Khorshidi, Alireza; Sohouli, Esmail; Janczak, Jan","Synthesis, crystal structure, and characterization of two Cu(II) and Ni(II) complexes of a tetradentate N2O2 Schiff base ligand and their application in fabrication of a hydrazine electrochemical sensor","Inorganica Chimica Acta","2020","506","","119537","","10.1016/j.ica.2020.119537","","","0.71073","MoKα","","0.0538","0.0373","","","0.0875","0.0939","","","","","","1.029","","","","has coordinates","269998","2021-10-18","08:53:31",""
"1564977","25.3399","0.0006","25.3399","0.0006","9.075","0.0002","90","","90","","90","","5827.2","0.2","150","2","150","","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C21 H8 Cu2 I2 N4 O7 Tb -","- C21 H8 Cu2 I2 N4 O7 Tb -","- C168 H64 Cu16 I16 N32 O56 Tb8 -","8","0.5","","Shi, Ying; Ren, Xiao-Yang; Gao, Man; Hou, Yin-Ling; Ji, Jia; Wu, Zhi-Lei; Wang, Wen-Min","Luminescent and magnetic properties of two copper iodide cluster based lanthanide organic frameworks","Inorganica Chimica Acta","2020","506","","119536","","10.1016/j.ica.2020.119536","","","0.71073","MoKα","","0.0351","0.0346","","","0.095","0.0954","","","","","","1.038","","","","has coordinates,has disorder","269999","2021-10-18","09:23:54",""
"1564978","25.367","0.0004","25.367","0.0004","9.0667","0.0002","90","","90","","90","","5834.28","0.18","293","2","293","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C21 H8 Cu2 Dy I2 N4 O7 -","- C21 H8 Cu2 Dy I2 N4 O7 -","- C168 H64 Cu16 Dy8 I16 N32 O56 -","8","0.5","","Shi, Ying; Ren, Xiao-Yang; Gao, Man; Hou, Yin-Ling; Ji, Jia; Wu, Zhi-Lei; Wang, Wen-Min","Luminescent and magnetic properties of two copper iodide cluster based lanthanide organic frameworks","Inorganica Chimica Acta","2020","506","","119536","","10.1016/j.ica.2020.119536","","","0.71073","MoKα","","0.0322","0.0294","","","0.0635","0.0647","","","","","","1.087","","","","has coordinates,has disorder","269999","2021-10-18","09:23:54",""
"1564979","10.1047","0.0003","11.8404","0.0003","17.8701","0.0005","82.507","0.001","84.785","0.001","71.395","0.001","2006.24","0.1","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C71 H74 N6 Ni2 O27 Sm2 -","- C71 H74 N6 Ni2 O27 Sm2 -","- C71 H74 N6 Ni2 O27 Sm2 -","1","0.5","","Zhang, Lin-Wei; Zhang, Yu; Cui, Yong-Fan; Yu, Meng; Dong, Wen-Kui","Heterobimetallic [NiIILnIII] (Ln = Sm and Tb) N2O4-donor coordination polymers: Syntheses, crystal structures and fluorescence properties","Inorganica Chimica Acta","2020","506","","119534","","10.1016/j.ica.2020.119534","","","0.71073","MoKα","","0.0392","0.0297","","","0.0754","0.0796","","","","","","1.047","","","","has coordinates,has disorder","270000","2021-10-18","09:29:10",""
"1564980","10.8394","0.0003","18.5888","0.0004","17.8158","0.0004","90","","104.067","0.001","90","","3482.08","0.15","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 N4 Ni O14 Tb -","- C31 H33 N4 Ni O14 Tb -","- C124 H132 N16 Ni4 O56 Tb4 -","4","1","","Zhang, Lin-Wei; Zhang, Yu; Cui, Yong-Fan; Yu, Meng; Dong, Wen-Kui","Heterobimetallic [NiIILnIII] (Ln = Sm and Tb) N2O4-donor coordination polymers: Syntheses, crystal structures and fluorescence properties","Inorganica Chimica Acta","2020","506","","119534","","10.1016/j.ica.2020.119534","","","0.71073","MoKα","","0.0568","0.033","","","0.0678","0.0765","","","","","","1.011","","","","has coordinates","270001","2021-10-18","09:31:57",""
"1564981","8.857","0.0006","30.6283","0.0019","10.2878","0.0006","90","","101.386","0.003","90","","2735.9","0.3","95","2","95","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 O6 S2 -","- C28 H34 O6 S2 -","- C112 H136 O24 S8 -","4","1","","Lozan, Vasile; Makhloufi, Gamall; Druta, Vadim; Bourosh, Paulina; Kravtsov, Victor Ch.; Marangoci, Narcisa; Heering, Christian; Janiak, Christoph","Synthesis and structure of zinc(II) and cobalt(II) coordination polymers involving the elongated 2′,3′,5′,6′ tetramethylterphenyl-4, 4″-dicarboxylate ligand","Inorganica Chimica Acta","2020","506","","119500","","10.1016/j.ica.2020.119500","","","0.71073","MoKα","","0.0415","0.0344","","","0.0902","0.0944","","","","","","1.005","","","","has coordinates,has disorder","270002","2021-10-18","09:44:17",""
"1564982","15.472","0.002","6.935","0.0008","26.808","0.003","90","","99.639","0.009","90","","2835.8","0.6","95","2","95","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 N2 O6 Zn -","- C30 H34 N2 O6 Zn -","- C120 H136 N8 O24 Zn4 -","4","0.5","","Lozan, Vasile; Makhloufi, Gamall; Druta, Vadim; Bourosh, Paulina; Kravtsov, Victor Ch.; Marangoci, Narcisa; Heering, Christian; Janiak, Christoph","Synthesis and structure of zinc(II) and cobalt(II) coordination polymers involving the elongated 2′,3′,5′,6′ tetramethylterphenyl-4, 4″-dicarboxylate ligand","Inorganica Chimica Acta","2020","506","","119500","","10.1016/j.ica.2020.119500","","","0.71073","MoKα","","0.032","0.0308","","","0.0783","0.0792","","","","","","1.004","","","","has coordinates","270003","2021-10-18","09:46:46",""
"1564983","19.848","0.002","19.49","0.002","17.98","0.002","90","","108.63","0.009","90","","6590.9","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H84 N4 O12 Zn2 -","- C68 H84 N4 O12 Zn2 -","- C272 H336 N16 O48 Zn8 -","4","0.5","","Lozan, Vasile; Makhloufi, Gamall; Druta, Vadim; Bourosh, Paulina; Kravtsov, Victor Ch.; Marangoci, Narcisa; Heering, Christian; Janiak, Christoph","Synthesis and structure of zinc(II) and cobalt(II) coordination polymers involving the elongated 2′,3′,5′,6′ tetramethylterphenyl-4, 4″-dicarboxylate ligand","Inorganica Chimica Acta","2020","506","","119500","","10.1016/j.ica.2020.119500","","","0.71073","MoKα","","0.0935","0.0748","","","0.1945","0.2081","","","","","","1.005","","","","has coordinates,has disorder","270004","2021-10-18","09:48:00",""
"1564984","19.869","0.003","19.466","0.003","17.999","0.003","90","","108.867","0.01","90","","6587.4","1.8","95","2","95","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H84 Co2 N4 O12 -","- C68 H84 Co2 N4 O12 -","- C272 H336 Co8 N16 O48 -","4","0.5","","Lozan, Vasile; Makhloufi, Gamall; Druta, Vadim; Bourosh, Paulina; Kravtsov, Victor Ch.; Marangoci, Narcisa; Heering, Christian; Janiak, Christoph","Synthesis and structure of zinc(II) and cobalt(II) coordination polymers involving the elongated 2′,3′,5′,6′ tetramethylterphenyl-4, 4″-dicarboxylate ligand","Inorganica Chimica Acta","2020","506","","119500","","10.1016/j.ica.2020.119500","","","1.54178","CuKα","","0.1241","0.0953","","","0.253","0.2731","","","","","","1.292","","","","has coordinates,has disorder","270005","2021-10-18","09:49:15",""
"1564985","22.4457","0.0014","19.4713","0.0005","19.1226","0.0014","90","","123.068","0.01","90","","7003.8","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H76 N6 O10 Zn2 -","- C76 H76 N6 O10 Zn2 -","- C304 H304 N24 O40 Zn8 -","4","0.5","","Lozan, Vasile; Makhloufi, Gamall; Druta, Vadim; Bourosh, Paulina; Kravtsov, Victor Ch.; Marangoci, Narcisa; Heering, Christian; Janiak, Christoph","Synthesis and structure of zinc(II) and cobalt(II) coordination polymers involving the elongated 2′,3′,5′,6′ tetramethylterphenyl-4, 4″-dicarboxylate ligand","Inorganica Chimica Acta","2020","506","","119500","","10.1016/j.ica.2020.119500","","","0.71073","MoKα","","0.0656","0.044","","","0.1097","0.1239","","","","","","1.007","","","","has coordinates","270006","2021-10-18","09:50:28",""
"1564986","22.4745","0.0015","19.5176","0.001","19.0695","0.0014","90","","123.393","0.01","90","","6983.9","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H76 Co2 N6 O10 -","- C76 H76 Co2 N6 O10 -","- C304 H304 Co8 N24 O40 -","4","0.5","","Lozan, Vasile; Makhloufi, Gamall; Druta, Vadim; Bourosh, Paulina; Kravtsov, Victor Ch.; Marangoci, Narcisa; Heering, Christian; Janiak, Christoph","Synthesis and structure of zinc(II) and cobalt(II) coordination polymers involving the elongated 2′,3′,5′,6′ tetramethylterphenyl-4, 4″-dicarboxylate ligand","Inorganica Chimica Acta","2020","506","","119500","","10.1016/j.ica.2020.119500","","","0.71073","MoKα","","0.1252","0.0695","","","0.1805","0.2215","","","","","","1.008","","","","has coordinates","270007","2021-10-18","09:52:00",""
"1564987","29.387","0.002","25.383","0.002","13.953","0.001","90","","94.746","0.004","90","","10372.3","1.3","170","2","170","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C87 H72 N3 O12 Zn3 -","- C87 H72 N3 O12 Zn3 -","- C348 H288 N12 O48 Zn12 -","4","1","","Lozan, Vasile; Makhloufi, Gamall; Druta, Vadim; Bourosh, Paulina; Kravtsov, Victor Ch.; Marangoci, Narcisa; Heering, Christian; Janiak, Christoph","Synthesis and structure of zinc(II) and cobalt(II) coordination polymers involving the elongated 2′,3′,5′,6′ tetramethylterphenyl-4, 4″-dicarboxylate ligand","Inorganica Chimica Acta","2020","506","","119500","","10.1016/j.ica.2020.119500","","","0.71073","MoKα","","0.0722","0.0603","","","0.1482","0.156","","","","","","1","","","","has coordinates","270008","2021-10-18","09:53:08",""
"1564988","19.7632","0.0013","19.5104","0.0009","18.4626","0.001","90","","108.323","0.006","90","","6758","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H84 N4 O12 Zn2 -","- C68 H84 N4 O12 Zn2 -","- C272 H336 N16 O48 Zn8 -","4","0.5","","Lozan, Vasile; Makhloufi, Gamall; Druta, Vadim; Bourosh, Paulina; Kravtsov, Victor Ch.; Marangoci, Narcisa; Heering, Christian; Janiak, Christoph","Synthesis and structure of zinc(II) and cobalt(II) coordination polymers involving the elongated 2′,3′,5′,6′ tetramethylterphenyl-4, 4″-dicarboxylate ligand","Inorganica Chimica Acta","2020","506","","119500","","10.1016/j.ica.2020.119500","","","0.71073","MoKα","","0.1048","0.0662","","","0.1656","0.193","","","","","","1.003","","","","has coordinates","270009","2021-10-18","09:56:10",""
"1565025","7.5661","0.0006","14.7316","0.0012","10.6122","0.0008","90","","92.024","0.004","90","","1182.11","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Cl2 Cu2 N10 -","- C24 H16 Cl2 Cu2 N10 -","- C48 H32 Cl4 Cu4 N20 -","2","0.5","","Hammud, Hassan H.; Kortz, Ulrich; Bhattacharya, Saurav; Demirdjian, Sally; Hariri, Essa; Isber, Samih; Sang Choi, Eun; Mirtamizdoust, Babak; Mroueh, Mohamad; Daher, Costantine F.","Structure, DFT studies, magnetism and biological activity of bis[(µ-azido)-chloro-(1,10-phenanthroline)-copper(II)] complex","Inorganica Chimica Acta","2020","506","","119533","","10.1016/j.ica.2020.119533","","","0.71073","MoKα","","0.0434","0.0357","","","0.0904","0.0948","","","","","","1.063","","","","has coordinates","270053","2021-10-21","07:44:23",""
"1565026","22.3513","0.0011","20.4595","0.0011","20.4784","0.0011","90","","113.917","0.002","90","","8560.6","0.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H32 Cl Co N9 O11 S -","- C43 H32 Cl Co N9 O11 S -","- C344 H256 Cl8 Co8 N72 O88 S8 -","8","1","","Kumar, Priyaranjan; Butcher, Ray J.; Patra, Ashis K.","Ternary Co(II), Ni(II) and Cu(II) complexes containing dipyridophenazine and saccharin: Structures, reactivity, binding interactions with biomolecules and DNA damage activity","Inorganica Chimica Acta","2020","506","","119532","","10.1016/j.ica.2020.119532","","","0.71073","MoKα","","0.1406","0.0958","","","0.2395","0.2651","","","","","","1.064","","","","has coordinates,has disorder","270054","2021-10-21","07:56:23",""
"1565027","22.077","0.001","20.8561","0.0009","20.2911","0.001","90","","114.033","0.001","90","","8532.9","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C87 H53 Cl5 N18 Ni2 O16 S2 -","- C87 H53 Cl5 N18 Ni2 O16 S2 -","- C348 H212 Cl20 N72 Ni8 O64 S8 -","4","0.5","","Kumar, Priyaranjan; Butcher, Ray J.; Patra, Ashis K.","Ternary Co(II), Ni(II) and Cu(II) complexes containing dipyridophenazine and saccharin: Structures, reactivity, binding interactions with biomolecules and DNA damage activity","Inorganica Chimica Acta","2020","506","","119532","","10.1016/j.ica.2020.119532","","","0.71073","MoKα","","0.1001","0.065","","","0.1722","0.202","","","","","","1.029","","","","has coordinates,has disorder","270054","2021-10-21","07:56:26",""
"1565028","15.0777","0.0007","15.1926","0.0008","19.7389","0.0009","104.427","0.001","110.225","0.001","91.926","0.002","4073.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H32 Cl Cu N9 O11 S -","- C43 H32 Cl Cu N9 O11 S -","- C172 H128 Cl4 Cu4 N36 O44 S4 -","4","2","","Kumar, Priyaranjan; Butcher, Ray J.; Patra, Ashis K.","Ternary Co(II), Ni(II) and Cu(II) complexes containing dipyridophenazine and saccharin: Structures, reactivity, binding interactions with biomolecules and DNA damage activity","Inorganica Chimica Acta","2020","506","","119532","","10.1016/j.ica.2020.119532","","","0.71073","MoKα","","0.0971","0.051","","","0.1078","0.1252","","","","","","1.007","","","","has coordinates","270054","2021-10-21","07:56:27",""
"1565029","14.773","0.0012","17.2762","0.0013","20.161","0.0015","105.642","0.002","111.259","0.002","99.041","0.002","4427.6","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C166.5 H108.5 Cl7.5 Co4 N32 O31 S8 -","- C166.5 H108.5 Cl7.5 Co4 N32 O31 S8 -","- C166.5 H108.5 Cl7.5 Co4 N32 O31 S8 -","1","0.5","","Kumar, Priyaranjan; Butcher, Ray J.; Patra, Ashis K.","Ternary Co(II), Ni(II) and Cu(II) complexes containing dipyridophenazine and saccharin: Structures, reactivity, binding interactions with biomolecules and DNA damage activity","Inorganica Chimica Acta","2020","506","","119532","","10.1016/j.ica.2020.119532","","","0.71073","MoKα","","0.1667","0.0888","","","0.22","0.2589","","","","","","1.021","","","","has coordinates,has disorder","270054","2021-10-21","07:56:28",""
"1565030","14.693","0.006","17.49","0.006","19.624","0.007","104.87","0.007","110.869","0.007","99.906","0.008","4356","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C83.2 H50.4 Cl2.4 N16 Ni2 O15 S4 -","- C83.2 H50.4 Cl2.4 N16 Ni2 O15 S4 -","- C166.4 H100.8 Cl4.8 N32 Ni4 O30 S8 -","2","1","","Kumar, Priyaranjan; Butcher, Ray J.; Patra, Ashis K.","Ternary Co(II), Ni(II) and Cu(II) complexes containing dipyridophenazine and saccharin: Structures, reactivity, binding interactions with biomolecules and DNA damage activity","Inorganica Chimica Acta","2020","506","","119532","","10.1016/j.ica.2020.119532","","","0.71073","MoKα","","0.1774","0.0969","","","0.2355","0.2922","","","","","","1.034","","","","has coordinates,has disorder","270054","2021-10-21","07:56:28",""
"1565031","12.8207","0.0007","13.2099","0.0007","23.133","0.0012","90","","101.236","0.003","90","","3842.7","0.4","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H47 Cl2 Hg N5 O8 -","- C38 H47 Cl2 Hg N5 O8 -","- C152 H188 Cl8 Hg4 N20 O32 -","4","1","","Correia, Bruna B.; Brown, Thomas R.; Reibenspies, Joseph H.; Lee, Hee-Seung; Hancock, Robert D.","Exciplex formation as an approach to selective Copper(II) fluorescent sensors","Inorganica Chimica Acta","2020","506","","119544","","10.1016/j.ica.2020.119544","","x-ray","0.71073","MoKα","","0.1264","0.0697","","","0.1434","0.1722","","","","","","1.042","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1565032","12.8274","0.0003","13.1823","0.0003","23.1202","0.0005","90","","101.326","0.001","90","","3833.37","0.15","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H47 Cd Cl2 N5 O8 -","- C38 H47 Cd Cl2 N5 O8 -","- C152 H188 Cd4 Cl8 N20 O32 -","4","1","","Correia, Bruna B.; Brown, Thomas R.; Reibenspies, Joseph H.; Lee, Hee-Seung; Hancock, Robert D.","Exciplex formation as an approach to selective Copper(II) fluorescent sensors","Inorganica Chimica Acta","2020","506","","119544","","10.1016/j.ica.2020.119544","","x-ray","1.54178","CuKα","","0.0474","0.0435","","","0.1117","0.1142","","","","","","1.095","","","","has coordinates,has disorder","270055","2021-10-21","08:09:11",""
"1565033","17.8371","0.0008","16.1543","0.0008","22.5723","0.0011","90","","90","","90","","6504.1","0.5","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H45 Cl N4 O4 -","- C36 H45 Cl N4 O4 -","- C288 H360 Cl8 N32 O32 -","8","1","","Correia, Bruna B.; Brown, Thomas R.; Reibenspies, Joseph H.; Lee, Hee-Seung; Hancock, Robert D.","Exciplex formation as an approach to selective Copper(II) fluorescent sensors","Inorganica Chimica Acta","2020","506","","119544","","10.1016/j.ica.2020.119544","","x-ray","0.71073","MoKα","","0.0585","0.0393","","","0.0924","0.1056","","","","","","1.051","","","","has coordinates","270055","2021-10-21","08:09:13",""
"1565034","10.1622","0.0004","18.9273","0.0007","19.6809","0.0007","90","","91.106","0.002","90","","3784.8","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Cl2 N4 O8 Pb -","- C36 H44 Cl2 N4 O8 Pb -","- C144 H176 Cl8 N16 O32 Pb4 -","4","1","","Correia, Bruna B.; Brown, Thomas R.; Reibenspies, Joseph H.; Lee, Hee-Seung; Hancock, Robert D.","Exciplex formation as an approach to selective Copper(II) fluorescent sensors","Inorganica Chimica Acta","2020","506","","119544","","10.1016/j.ica.2020.119544","","x-ray","1.54178","CuKα","","0.0597","0.0465","","","0.0957","0.1013","","","","","","1.038","","","","has coordinates","270055","2021-10-21","08:09:13",""
"1565035","10.137","0.002","13.491","0.003","12.245","0.002","90","","98.48","0.03","90","","1656.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 I N2 Pt S -","- C15 H17 I N2 Pt S -","- C60 H68 I4 N8 Pt4 S4 -","4","1","","Nabavizadeh, S. Masoud; Raoof, Fatemeh; Pakpour, Fatemeh; Shafiei Sarvestani, Laleh; Niknam, Fatemeh; Niroomand Hosseini, Fatemeh; Hoseini, S. Jafar","Facile activation of the C–I bond of primary alkyl halides by Pt(II) complexes having a benzothiazole ligand","Inorganica Chimica Acta","2020","506","","119535","","10.1016/j.ica.2020.119535","","","0.71073","MoKα","","0.073","0.0365","","","0.0769","0.0821","","","","","","0.743","","","","has coordinates","270056","2021-10-21","08:19:33",""
"1565036","6.2609","","4.8594","","8.4881","","90","","90","","90","","258.244","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","Calcium orthocarbonate","","","- C Ca2 O4 -","- C Ca2 O4 -","- C4 Ca8 O16 -","4","0.5","","D. Sagatova; A. Shatskiy; N. Sagatov; P.N. Gavryushkin; K.D. Litasov","Calcium orthocarbonate, Ca2CO4-Pnma: A potential host for subducting carbon in the transition zone and lower mantle","Lithos","2020","","","105637","","10.1016/j.lithos.2020.105637","","","","","","","","","","","","","","","","","","","","","has coordinates","270077","2021-10-25","10:09:08",""
"1565155","11.659","0.0004","12.5787","0.0004","14.107","0.0003","90.321","0.002","96.465","0.002","90.118","0.003","2055.67","0.11","99.97","0.11","99.97","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C46 H54 Ir2 N4 S2 -","- C46 H54 Ir2 N4 S2 -","- C92 H108 Ir4 N8 S4 -","2","1","","Tang, Haiming; Saunders, Graham C.; Raymond, Onyekachi; Ma, Xiaochuan; Henderson, William","Pyrrole thioamide complexes of organo-rhodium(III), -iridium(III) and -ruthenium(II)","Inorganica Chimica Acta","2020","506","","119545","","10.1016/j.ica.2020.119545","","x-ray","1.54184","CuKα","","0.0527","0.034","","","0.0758","0.0828","","","","","","1.0383","","","","has coordinates","270558","2021-11-10","09:30:58",""
"1565156","9.41539","0.00011","21.3926","0.0002","18.2604","0.0002","90","","101.762","0.0012","90","","3600.77","0.07","101","2","101","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H47 Ir N2 P S -","- C43 H47 Ir N2 P S -","- C172 H188 Ir4 N8 P4 S4 -","4","1","","Tang, Haiming; Saunders, Graham C.; Raymond, Onyekachi; Ma, Xiaochuan; Henderson, William","Pyrrole thioamide complexes of organo-rhodium(III), -iridium(III) and -ruthenium(II)","Inorganica Chimica Acta","2020","506","","119545","","10.1016/j.ica.2020.119545","","x-ray","1.54184","CuKα","","0.0338","0.0256","","","0.06","0.064","","","","","","1.0222","","","","has coordinates","270559","2021-11-10","09:33:03",""
"1565157","29.811","0.006","11.069","0.002","15.255","0.003","90","","108.427","0.004","90","","4775.7","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Co N4 O8 -","- C22 H24 Co N4 O8 -","- C176 H192 Co8 N32 O64 -","8","1","","Cheng, Xiaofei; Hu, Jinsong; Zhang, Jing","Structure of imidazolidyl Co(II) coordination polymer and catalytic properties of thermal conversion products","Inorganica Chimica Acta","2020","506","","119540","","10.1016/j.ica.2020.119540","","","0.71073","MoKα","","0.0759","0.0467","","","0.103","0.1083","","","","","","0.864","","","","has coordinates,has disorder","270560","2021-11-10","09:37:11",""
"1565158","9.8921","0.0006","14.3386","0.0006","16.9234","0.0011","90","","92.123","0.005","90","","2398.7","0.2","292","2","292","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Cl3 Cu N6 O3 S2 -","- C19 H15 Cl3 Cu N6 O3 S2 -","- C76 H60 Cl12 Cu4 N24 O12 S8 -","4","1","","Kiani, Mahsa; Bagherzadeh, Mojtaba; Meghdadi, Soraia; Fadaei-Tirani, Farzaneh; Babaie, Maryam; Schenk-Joß, Kurt","Synthesis, Characterisation and Crystal structure of a New Cu(II)-carboxamide Complex and CuO nanoparticles as New Catalysts in the CuAAC reaction and Investigation of their Antibacterial activity","Inorganica Chimica Acta","2020","506","","119514","","10.1016/j.ica.2020.119514","","","0.71073","MoKα","","0.0968","0.0418","","","0.0842","0.1026","","","","","","0.898","","","","has coordinates,has disorder","270561","2021-11-10","09:43:44",""
"1565159","11.1617","0.0019","13.094","0.002","18.698","0.004","90","","99.661","0.007","90","","2694","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H33 Cl2 Hg N4 O2.5 -","- C22 H30 Cl2 Hg N4 O2 -","- C88 H120 Cl8 Hg4 N16 O8 -","4","1","","Soldevila-Sanmartín, Joan; Guerrero, Miguel; Choquesillo-Lazarte, Duane; Giner Planas, José; Pons, Josefina","Dimeric metallacycles and coordination polymers: Zn(II), Cd(II) and Hg(II) complexes of two positional isomers of a flexible N,O-hybrid bispyrazole derived ligand","Inorganica Chimica Acta","2020","506","","119549","","10.1016/j.ica.2020.119549","","","0.71073","MoKα","","0.08","0.0409","","","0.0719","0.0844","","","","","","1.011","","","","has coordinates","270562","2021-11-10","09:52:30",""
"1565160","9.503","0.0004","19.1113","0.0009","13.3218","0.0006","90","","96.203","0.002","90","","2405.27","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 Cl4 N8 O4 Zn2 -","- C44 H60 Cl4 N8 O4 Zn2 -","- C88 H120 Cl8 N16 O8 Zn4 -","2","0.5","","Soldevila-Sanmartín, Joan; Guerrero, Miguel; Choquesillo-Lazarte, Duane; Giner Planas, José; Pons, Josefina","Dimeric metallacycles and coordination polymers: Zn(II), Cd(II) and Hg(II) complexes of two positional isomers of a flexible N,O-hybrid bispyrazole derived ligand","Inorganica Chimica Acta","2020","506","","119549","","10.1016/j.ica.2020.119549","","x-ray","0.72932","","","0.0466","0.0457","","","0.132","0.1344","","","","","","1.064","","","","has coordinates","270563","2021-11-10","09:59:50",""
"1565161","9.5328","0.0008","19.3","0.0016","13.5436","0.0011","90","","97.179","0.002","90","","2472.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 Cd2 Cl4 N8 O4 -","- C44 H60 Cd2 Cl4 N8 O4 -","- C88 H120 Cd4 Cl8 N16 O8 -","2","0.5","","Soldevila-Sanmartín, Joan; Guerrero, Miguel; Choquesillo-Lazarte, Duane; Giner Planas, José; Pons, Josefina","Dimeric metallacycles and coordination polymers: Zn(II), Cd(II) and Hg(II) complexes of two positional isomers of a flexible N,O-hybrid bispyrazole derived ligand","Inorganica Chimica Acta","2020","506","","119549","","10.1016/j.ica.2020.119549","","x-ray","0.72929","synchrotron","","0.0688","0.0672","","","0.1866","0.1906","","","","","","1.074","","","","has coordinates","270564","2021-11-10","10:01:49",""
"1565162","9.5573","0.0004","19.2939","0.0007","13.5592","0.0005","90","","97.356","0.001","90","","2479.71","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 Cl4 Hg2 N8 O4 -","- C44 H60 Cl4 Hg2 N8 O4 -","- C88 H120 Cl8 Hg4 N16 O8 -","2","0.5","","Soldevila-Sanmartín, Joan; Guerrero, Miguel; Choquesillo-Lazarte, Duane; Giner Planas, José; Pons, Josefina","Dimeric metallacycles and coordination polymers: Zn(II), Cd(II) and Hg(II) complexes of two positional isomers of a flexible N,O-hybrid bispyrazole derived ligand","Inorganica Chimica Acta","2020","506","","119549","","10.1016/j.ica.2020.119549","","x-ray","0.72931","synchrotron","","0.0707","0.0695","","","0.1714","0.1738","","","","","","1.174","","","","has coordinates","270565","2021-11-10","10:05:45",""
"1565163","29.965","0.004","8.0447","0.0012","23.742","0.004","90","","122.071","0.007","90","","4849.8","1.3","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H31 Cl2 N4 O2.5 Zn -","- C22 H31 Cl2 N4 O2.5 Zn -","- C176 H248 Cl16 N32 O20 Zn8 -","8","1","","Soldevila-Sanmartín, Joan; Guerrero, Miguel; Choquesillo-Lazarte, Duane; Giner Planas, José; Pons, Josefina","Dimeric metallacycles and coordination polymers: Zn(II), Cd(II) and Hg(II) complexes of two positional isomers of a flexible N,O-hybrid bispyrazole derived ligand","Inorganica Chimica Acta","2020","506","","119549","","10.1016/j.ica.2020.119549","","","1.54178","CuKα","","0.0766","0.0452","","","0.0909","0.1033","","","","","","1.058","","","","has coordinates","279031","2022-11-07","10:58:29",""
"1565164","11.1004","0.0003","12.9995","0.0003","18.6202","0.0005","90","","101.285","0.001","90","","2634.94","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H33 Cd Cl2 N4 O2.5 -","- C22 H30 Cd Cl2 N4 O2 -","- C88 H120 Cd4 Cl8 N16 O8 -","4","1","","Soldevila-Sanmartín, Joan; Guerrero, Miguel; Choquesillo-Lazarte, Duane; Giner Planas, José; Pons, Josefina","Dimeric metallacycles and coordination polymers: Zn(II), Cd(II) and Hg(II) complexes of two positional isomers of a flexible N,O-hybrid bispyrazole derived ligand","Inorganica Chimica Acta","2020","506","","119549","","10.1016/j.ica.2020.119549","","","0.71073","MoKα","","0.0589","0.0547","","","0.1695","0.1799","","","","","","1.057","","","","has coordinates","270567","2021-11-10","10:09:52",""
"1565165","21.515","0.003","18.53","0.002","19.322","0.003","90","","107.824","0.003","90","","7333.4","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C176 H114 Eu2 N24 O18 -","- C176 H114 Eu2 N24 O18 -","- C352 H228 Eu4 N48 O36 -","2","0.5","","Bai, Chao; Fu, Xin-Yu; Hu, Huai-Ming; He, Shi; Wang, Xiaofang; Xue, Gang-Lin","Construction of visible luminescent lanthanide coordination compounds with different stacking modes based on a carboxylate substituted terpyridyl derivative ligand","Inorganica Chimica Acta","2020","506","","119550","","10.1016/j.ica.2020.119550","","","0.71073","MoKα","","0.1722","0.1397","","","0.2753","0.292","","","","","","1.275","","","","has coordinates","270568","2021-11-10","10:23:19",""
"1565166","11.295","0.0008","25.1086","0.0018","39.682","0.003","90","","90","","90","","11253.9","1.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C132 H92 N18 O19 Sm2 -","- C132 H92 N18 O19 Sm2 -","- C528 H368 N72 O76 Sm8 -","4","0.5","","Bai, Chao; Fu, Xin-Yu; Hu, Huai-Ming; He, Shi; Wang, Xiaofang; Xue, Gang-Lin","Construction of visible luminescent lanthanide coordination compounds with different stacking modes based on a carboxylate substituted terpyridyl derivative ligand","Inorganica Chimica Acta","2020","506","","119550","","10.1016/j.ica.2020.119550","","","0.71073","MoKα","","0.0453","0.0315","","","0.0733","0.0802","","","","","","1.013","","","","has coordinates","270569","2021-11-10","10:25:39",""
"1565167","11.2768","0.0011","25.121","0.003","39.622","0.004","90","","90","","90","","11224","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C132 H92 Eu2 N18 O19 -","- C132 H92 Eu2 N18 O19 -","- C528 H368 Eu8 N72 O76 -","4","0.5","","Bai, Chao; Fu, Xin-Yu; Hu, Huai-Ming; He, Shi; Wang, Xiaofang; Xue, Gang-Lin","Construction of visible luminescent lanthanide coordination compounds with different stacking modes based on a carboxylate substituted terpyridyl derivative ligand","Inorganica Chimica Acta","2020","506","","119550","","10.1016/j.ica.2020.119550","","","0.71073","MoKα","","0.0775","0.0403","","","0.0879","0.1046","","","","","","0.987","","","","has coordinates","270570","2021-11-10","10:26:56",""
"1565168","11.2588","0.0013","25.123","0.003","39.559","0.004","90","","90","","90","","11189","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C132 H92 Gd2 N18 O19 -","- C132 H92 Gd2 N18 O19 -","- C528 H368 Gd8 N72 O76 -","4","0.5","","Bai, Chao; Fu, Xin-Yu; Hu, Huai-Ming; He, Shi; Wang, Xiaofang; Xue, Gang-Lin","Construction of visible luminescent lanthanide coordination compounds with different stacking modes based on a carboxylate substituted terpyridyl derivative ligand","Inorganica Chimica Acta","2020","506","","119550","","10.1016/j.ica.2020.119550","","","0.71073","MoKα","","0.1152","0.0563","","","0.0991","0.1178","","","","","","1.001","","","","has coordinates","270571","2021-11-10","10:28:12",""
"1565169","11.211","0.002","24.948","0.005","39.487","0.007","90","","90","","90","","11044","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C132 H92 N18 O19 Tb2 -","- C132 H88 N18 O19 Tb2 -","- C528 H352 N72 O76 Tb8 -","4","0.5","","Bai, Chao; Fu, Xin-Yu; Hu, Huai-Ming; He, Shi; Wang, Xiaofang; Xue, Gang-Lin","Construction of visible luminescent lanthanide coordination compounds with different stacking modes based on a carboxylate substituted terpyridyl derivative ligand","Inorganica Chimica Acta","2020","506","","119550","","10.1016/j.ica.2020.119550","","","0.71073","MoKα","","0.1281","0.1096","","","0.2156","0.2233","","","","","","1.338","","","","has coordinates","270572","2021-11-10","10:30:20",""
"1565170","10.8336","0.0003","11.3855","0.0003","13.3069","0.0004","92.844","0.002","113.681","0.003","90.617","0.002","1500.45","0.08","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H84 F2 Mg5 N4 O46 -","- C32 H84 F2 Mg5 N4 O46 -","- C32 H84 F2 Mg5 N4 O46 -","1","0.5","","Kerber, William D.; Hartnett, D. Sean; Wang, Aiqiu; Mafrice, Carson Hawkins; Siegler, Maxime A.","Enhanced relative stability of heterobimetallic Fe(II), Zn(II), and Mg(II) clusters supported by a µ-phenoxo bridge","Inorganica Chimica Acta","2020","506","","119547","","10.1016/j.ica.2020.119547","","","1.54178","CuKα","","0.034","0.031","","","0.0887","0.0907","","","","","","1.072","","","","has coordinates","270573","2021-11-10","10:38:47",""
"1565171","10.5309","0.0003","10.8052","0.0003","13.7649","0.0004","102.549","0.002","109.982","0.003","105.13","0.003","1337.44","0.08","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H72 F2 N4 O40 Zn5 -","- C32 H72 F2 N4 O40 Zn5 -","- C32 H72 F2 N4 O40 Zn5 -","1","0.5","","Kerber, William D.; Hartnett, D. Sean; Wang, Aiqiu; Mafrice, Carson Hawkins; Siegler, Maxime A.","Enhanced relative stability of heterobimetallic Fe(II), Zn(II), and Mg(II) clusters supported by a µ-phenoxo bridge","Inorganica Chimica Acta","2020","506","","119547","","10.1016/j.ica.2020.119547","","","0.71073","MoKα","","0.0259","0.022","","","0.0515","0.0532","","","","","","1.042","","","","has coordinates","270574","2021-11-10","10:39:58",""
"1565194","9.8653","0.0016","16.939","0.002","13.5957","0.0018","90","","105.471","0.012","90","","2189.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cl2 Co N2 -","- C26 H18 Cl2 Co N2 -","- C104 H72 Cl8 Co4 N8 -","4","1","","Choopani Jouybari, Hosna; Alizadeh, Robabeh; Banisaeed, Hoda; Amani, Vahid","Synthesis, luminescence studies and structural characterization of new Co(II) and Cu(II) complexes based on phenanthridine as a ligand","Inorganica Chimica Acta","2020","506","","119553","","10.1016/j.ica.2020.119553","","","0.71073","MoKα","","0.0928","0.0378","","","0.0747","0.1034","","","","","","0.795","","","","has coordinates","270614","2021-11-12","09:43:13",""
"1565195","10.596","0.002","11.673","0.002","14.971","0.003","107.34","0.03","96.59","0.03","102.12","0.03","1696.7","0.7","293","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H29 Co N5 O7 -","- C39 H29 Co N5 O7 -","- C78 H58 Co2 N10 O14 -","2","1","","Choopani Jouybari, Hosna; Alizadeh, Robabeh; Banisaeed, Hoda; Amani, Vahid","Synthesis, luminescence studies and structural characterization of new Co(II) and Cu(II) complexes based on phenanthridine as a ligand","Inorganica Chimica Acta","2020","506","","119553","","10.1016/j.ica.2020.119553","","","0.71073","MoKα","","0.0723","0.065","","","0.1006","0.1455","","","","","","0.995","","","","has coordinates","270614","2021-11-12","09:43:14",""
"1565196","4.6605","0.0005","14.435","0.002","15.6732","0.0016","90","","94.587","0.009","90","","1051","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cl2 Cu N2 -","- C26 H18 Cl2 Cu N2 -","- C52 H36 Cl4 Cu2 N4 -","2","0.5","","Choopani Jouybari, Hosna; Alizadeh, Robabeh; Banisaeed, Hoda; Amani, Vahid","Synthesis, luminescence studies and structural characterization of new Co(II) and Cu(II) complexes based on phenanthridine as a ligand","Inorganica Chimica Acta","2020","506","","119553","","10.1016/j.ica.2020.119553","","","0.71073","MoKα","","0.0863","0.0353","","","0.0632","0.0688","","","","","","0.711","","","","has coordinates","270614","2021-11-12","09:43:14",""
"1565197","8.0377","0.0013","8.8133","0.0014","11.8435","0.0016","75.611","0.012","73.896","0.012","83.263","0.013","779.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cu2 N2 O8 -","- C34 H30 Cu2 N2 O8 -","- C34 H30 Cu2 N2 O8 -","1","0.5","","Choopani Jouybari, Hosna; Alizadeh, Robabeh; Banisaeed, Hoda; Amani, Vahid","Synthesis, luminescence studies and structural characterization of new Co(II) and Cu(II) complexes based on phenanthridine as a ligand","Inorganica Chimica Acta","2020","506","","119553","","10.1016/j.ica.2020.119553","","","0.71073","MoKα","","0.1513","0.0814","","","0.1896","0.2159","","","","","","0.86","","","","has coordinates","270614","2021-11-12","09:43:14",""
"1565198","12.135","0.003","12.766","0.003","19.016","0.005","104.49","0.008","98.77","0.009","111.063","0.008","2564","1.1","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H76 Cu4 Mo16 N8 O78 -","- C48 H44 Cu4 Mo16 N8 O78 -","- C48 H44 Cu4 Mo16 N8 O78 -","1","0.5","","Kumar, N. Tanmaya; Bhoi, Umashis; Naulakha, Pragya; Das, Samar K.","A polyoxometalate supported copper dimeric complex: Synthesis, structure and electrocatalysis","Inorganica Chimica Acta","2020","506","","119554","","10.1016/j.ica.2020.119554","","","0.71073","MoKα","","0.111","0.0748","","","0.2394","0.3043","","","","","","1.426","","","","has coordinates","270615","2021-11-12","09:48:06",""
"1565199","10.8064","0.0004","12.6391","0.0004","18.8322","0.0008","90","","100.67","0.002","90","","2527.69","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 O8 Zn2 -","- C28 H20 O8 Zn2 -","- C112 H80 O32 Zn8 -","4","1","","Moreno-Gómez, Laura; Sánchez-Férez, Francisco; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Zn(II) and Cd(II) monomer, dimer and polymer compounds coordinated by benzoic acid and 4-acetylpyridine: Synthesis and crystal structures","Inorganica Chimica Acta","2020","506","","119561","","10.1016/j.ica.2020.119561","","","0.71073","MoKα","","0.067","0.0416","","","0.0779","0.0852","","","","","","1.057","","","","has coordinates","270616","2021-11-12","09:54:34",""
"1565200","9.6838","0.0006","10.2466","0.0006","30.956","0.002","90","","90","","90","","3071.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Cd O7 -","- C14 H16 Cd O7 -","- C112 H128 Cd8 O56 -","8","1","","Moreno-Gómez, Laura; Sánchez-Férez, Francisco; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Zn(II) and Cd(II) monomer, dimer and polymer compounds coordinated by benzoic acid and 4-acetylpyridine: Synthesis and crystal structures","Inorganica Chimica Acta","2020","506","","119561","","10.1016/j.ica.2020.119561","","","0.71073","MoKα","","0.0954","0.0482","","","0.0826","0.1063","","","","","","1.084","","","","has coordinates","270618","2021-11-12","09:55:56",""
"1565201","17.307","0.003","24.801","0.004","27.504","0.005","90","","107.284","0.006","90","","11272","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 N2 O10 Zn2 -","- C42 H34 N2 O10 Zn2 -","- C504 H408 N24 O120 Zn24 -","12","1.5","","Moreno-Gómez, Laura; Sánchez-Férez, Francisco; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Zn(II) and Cd(II) monomer, dimer and polymer compounds coordinated by benzoic acid and 4-acetylpyridine: Synthesis and crystal structures","Inorganica Chimica Acta","2020","506","","119561","","10.1016/j.ica.2020.119561","","","0.71073","MoKα","","0.0919","0.0492","","","0.11","0.1478","","","","","","1.073","","","","has coordinates,has disorder","270619","2021-11-12","09:57:18",""
"1565202","13.3285","0.0005","13.3285","0.0005","27.8077","0.0011","90","","90","","90","","4940","0.3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C56 H48 Cd2 N4 O12 -","- C56 H48 Cd2 N4 O12 -","- C224 H192 Cd8 N16 O48 -","4","0.5","","Moreno-Gómez, Laura; Sánchez-Férez, Francisco; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Zn(II) and Cd(II) monomer, dimer and polymer compounds coordinated by benzoic acid and 4-acetylpyridine: Synthesis and crystal structures","Inorganica Chimica Acta","2020","506","","119561","","10.1016/j.ica.2020.119561","","","0.71073","MoKα","","0.0322","0.0266","","","0.0539","0.0586","","","","","","1.114","","","","has coordinates","270620","2021-11-12","09:58:30",""
"1565203","10.6115","0.0003","10.8579","0.0003","17.2908","0.0007","93.506","0.002","102.353","0.003","92.412","0.002","1939.34","0.11","99.94","0.14","99.94","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C40 H54 N8 O4 Rh2 -","- C40 H54 N8 O4 Rh2 -","- C80 H108 N16 O8 Rh4 -","2","1","","Yokley, Timothy W.; Schley, Nathan D.; Brewster, Timothy P.","Rhodium and iridium NNO-Scorpionate complexes: synthesis, structure, and reactivity with aluminum alkyls","Inorganica Chimica Acta","2020","506","","119529","","10.1016/j.ica.2020.119529","","x-ray","0.71073","MoKα","","0.0746","0.0512","","","0.0862","0.0935","","","","","","1.058","","","","has coordinates","270641","2021-11-15","08:03:29",""
"1565204","12.7123","0.0003","12.9256","0.0004","20.2507","0.0005","108.581","0.003","92.978","0.002","103.244","0.002","3041.86","0.16","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C54.5 H45 B Cl5 F24 Ir N4 O2 -","- C54.5 H45 B Cl5 F24 Ir N4 O2 -","- C109 H90 B2 Cl10 F48 Ir2 N8 O4 -","2","1","","Yokley, Timothy W.; Schley, Nathan D.; Brewster, Timothy P.","Rhodium and iridium NNO-Scorpionate complexes: synthesis, structure, and reactivity with aluminum alkyls","Inorganica Chimica Acta","2020","506","","119529","","10.1016/j.ica.2020.119529","","x-ray","0.71073","MoKα","","0.0499","0.0422","","","0.0937","0.0976","","","","","","1.049","","","","has coordinates,has disorder","270642","2021-11-15","08:07:05",""
"1565205","17.0733","0.0017","8.5106","0.0008","16.8262","0.0015","90","","117.271","0.003","90","","2173.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N3 O5 S -","- C23 H23 N3 O5 S -","- C92 H92 N12 O20 S4 -","4","1","","Lawrence, Mark A.W.; Mulder, Willem H.; Celestine, Michael J.; McMillen, Colin D.; Holder, Alvin A.","Assessment of two cobalt(II) complexes with pincer ligands for the electrocatalytic hydrogen evolution reaction. A comparison of the SNS vs ONS coordination","Inorganica Chimica Acta","2020","506","","119497","","10.1016/j.ica.2020.119497","","","0.71073","MoKα","","0.0661","0.0471","","","0.1107","0.1199","","","","","","1.048","","","","has coordinates","270643","2021-11-15","08:12:04",""
"1565206","14.6512","0.0005","44.3536","0.0014","17.5398","0.0005","90","","90","","90","","11397.9","0.6","160","1","160","1","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C47 H58 I4 N4 Ni O3 -","- C44 H46 I4 N4 Ni -","- C352 H368 I32 N32 Ni8 -","8","0.5","","Karges, Johannes; Blacque, Olivier; Gasser, Gilles","Metal dipyrrin complexes as potential photosensitizers for photodynamic therapy","Inorganica Chimica Acta","2020","505","","119482","","10.1016/j.ica.2020.119482","","x-ray","1.54184","CuKα","","0.1018","0.0666","","","0.1863","0.2089","","","","","","1.06","","","","has coordinates","270644","2021-11-15","08:26:31",""
"1565207","52.0433","0.0002","52.0433","0.0002","14.00387","0.0001","90","","90","","90","","37929.6","0.3","160","1","160","1","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C45.5 H49.5 Cu I4 N4 -","- C44 H46 Cu I4 N4 -","- C1408 H1472 Cu32 I128 N128 -","32","2","","Karges, Johannes; Blacque, Olivier; Gasser, Gilles","Metal dipyrrin complexes as potential photosensitizers for photodynamic therapy","Inorganica Chimica Acta","2020","505","","119482","","10.1016/j.ica.2020.119482","","x-ray","1.54184","CuKα","","0.044","0.0338","","","0.0765","0.0811","","","","","","1.018","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1565208","11.0913","0.0007","20.9676","0.0014","16.2187","0.0011","90","","101.334","0.002","90","","3698.2","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 Fe2 N O4 P2 S2 -","- C35 H35 Fe2 N O4 P2 S2 -","- C140 H140 Fe8 N4 O16 P8 S8 -","4","1","","Li, Jian-Rong; Hu, Meng-Yuan; Zhao, Pei-Hua; Tian, Wen-Jing; Xu, Ting-Ting; Li, Yu-Long","Asymmetrically PNP-chelate diiron ethanedithiolate complexes Fe2(μ-edt)(CO)4{κ-(Ph2P)2NR} as diiron subsite models of [FeFe]-hydrogenases: Structural and electrocatalytic investigation","Inorganica Chimica Acta","2020","505","","119493","","10.1016/j.ica.2020.119493","","","0.71073","MoKα","","0.0602","0.0452","","","0.1143","0.1239","","","","","","1.038","","","","has coordinates,has disorder","270645","2021-11-15","08:45:12",""
"1565209","7.174","0.002","8.763","0.003","16.866","0.005","80.891","0.005","87.715","0.005","69.027","0.005","977.4","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H20 Co N4 O15 -","- C12 H20 Co N4 O15 -","- C24 H40 Co2 N8 O30 -","2","1","","Li, Xiao-Fei; Yang, Yan-Qiu; Li, Ya-Xue; Yang, Huai-Xia; Zhao, Wen-Feng; Meng, Xiang-Ru","Synthesis, crystal structure, and BSA binding studies of new Co(II) and Ni(II) complexes of 2-(hydroxymethyl)-1H-imidazole-4,5-dicarboxylate","Inorganica Chimica Acta","2020","505","","119469","","10.1016/j.ica.2020.119469","","","0.71073","MoKα","","0.0388","0.0342","","","0.0945","0.098","","","","","","1.033","","","","has coordinates","270646","2021-11-15","08:49:05",""
"1565210","6.5445","0.0013","13.644","0.003","9.4681","0.0019","90","","104.72","0.03","90","","817.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N4 Ni O12 -","- C12 H14 N4 Ni O12 -","- C24 H28 N8 Ni2 O24 -","2","0.5","","Li, Xiao-Fei; Yang, Yan-Qiu; Li, Ya-Xue; Yang, Huai-Xia; Zhao, Wen-Feng; Meng, Xiang-Ru","Synthesis, crystal structure, and BSA binding studies of new Co(II) and Ni(II) complexes of 2-(hydroxymethyl)-1H-imidazole-4,5-dicarboxylate","Inorganica Chimica Acta","2020","505","","119469","","10.1016/j.ica.2020.119469","","","0.71073","MoKα","","0.0554","0.0474","","","0.099","0.1035","","","","","","1.1","","","","has coordinates","270646","2021-11-15","08:49:06",""
"1565211","20.6993","0.001","15.1138","0.0009","26.913","0.002","90","","90","","90","","8419.6","0.9","100","0.2","100","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H42 Cl Cu2 N3 O13 -","- C45 H42 Cl Cu2 N3 O13 -","- C360 H336 Cl8 Cu16 N24 O104 -","8","1","","Kumar Mudi, Prafullya; Bandopadhyay, Nilaj; Joshi, Mayank; Shit, Madhusudan; Paul, Suvendu; Roy Choudhury, Angshuman; Biswas, Bhaskar","Schiff base triggering synthesis of copper(II) complex and its catalytic fate towards mimics of phenoxazinone synthase activity","Inorganica Chimica Acta","2020","505","","119468","","10.1016/j.ica.2020.119468","","x-ray","0.71073","MoKα","","0.1184","0.0685","","","0.1711","0.2393","","","","","","1.052","","","","has coordinates","270647","2021-11-15","08:53:16",""
"1565212","9.66459","0.00014","14.1481","0.0002","21.1011","0.0003","94.4327","0.0011","94.1063","0.0012","104.071","0.0012","2778.11","0.07","173","2","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 F6 N O3 Sn -","- C24 H33 F6 N O3 Sn -","- C96 H132 F24 N4 O12 Sn4 -","4","2","","Ahmad, Iftikhar; Zia-ur-Rehman,; Waseem, Amir; Tariq, Muhammad; MacBeth, Cora; Bacsa, John; Venkataraman, Deepak; Rajakumar, Augustine; Ullah, Nazif; Tabassum, Saira","Organotin(IV) derivatives of amide-based carboxylates: Synthesis, spectroscopic characterization, single crystal studies and antimicrobial, antioxidant, cytotoxic, anti-leishmanial, hemolytic, noncancerous, anticancer activities","Inorganica Chimica Acta","2020","505","","119433","","10.1016/j.ica.2020.119433","","x-ray","0.71073","MoKα","","0.0631","0.0574","","","0.1612","0.1661","","","","","","1.038","","","","has coordinates,has disorder","270648","2021-11-15","09:01:28",""
"1565213","15.3177","0.0005","10.9589","0.0003","22.7379","0.0007","90","","112.868","0.004","90","","3516.9","0.2","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 F6 N O3 Sn -","- C15 H15 F6 N O3 Sn -","- C120 H120 F48 N8 O24 Sn8 -","8","1","","Ahmad, Iftikhar; Zia-ur-Rehman,; Waseem, Amir; Tariq, Muhammad; MacBeth, Cora; Bacsa, John; Venkataraman, Deepak; Rajakumar, Augustine; Ullah, Nazif; Tabassum, Saira","Organotin(IV) derivatives of amide-based carboxylates: Synthesis, spectroscopic characterization, single crystal studies and antimicrobial, antioxidant, cytotoxic, anti-leishmanial, hemolytic, noncancerous, anticancer activities","Inorganica Chimica Acta","2020","505","","119433","","10.1016/j.ica.2020.119433","","x-ray","1.54184","CuKα","","0.0592","0.0584","","","0.1561","0.1572","","","","","","1.087","","","","has coordinates","270648","2021-11-15","09:01:32",""
"1565214","9.5424","0.0003","6.907","0.0002","23.3651","0.0008","90","","91.774","0.003","90","","1539.24","0.08","99.93","0.16","99.93","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N O4 Sn -","- C14 H19 N O4 Sn -","- C56 H76 N4 O16 Sn4 -","4","1","","Ahmad, Iftikhar; Zia-ur-Rehman,; Waseem, Amir; Tariq, Muhammad; MacBeth, Cora; Bacsa, John; Venkataraman, Deepak; Rajakumar, Augustine; Ullah, Nazif; Tabassum, Saira","Organotin(IV) derivatives of amide-based carboxylates: Synthesis, spectroscopic characterization, single crystal studies and antimicrobial, antioxidant, cytotoxic, anti-leishmanial, hemolytic, noncancerous, anticancer activities","Inorganica Chimica Acta","2020","505","","119433","","10.1016/j.ica.2020.119433","","x-ray","1.54184","CuKα","","0.0418","0.0402","","","0.1067","0.1083","","","","","","1.077","","","","has coordinates","270648","2021-11-15","09:01:32",""
"1565215","10.9464","0.0007","12.8805","0.0008","13.9048","0.0009","101.12","0.003","112.968","0.003","100.847","0.003","1694.2","0.2","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H54 Dy2 F12 N4 O10 -","- C76 H54 Dy2 F12 N4 O10 -","- C76 H54 Dy2 F12 N4 O10 -","1","0.5","","Chang, Yi-Xin; Gao, Ning; Wang, Mei-Ying; Wang, Wan-Ting; Fan, Zi-Wei; Ren, Duo-Duo; Wu, Zhi-Lei; Wang, Wen-Min","Two phenoxo-O bridged dinuclear Dy(III) complexes exhibiting distinct slow magnetic relaxation induced by different β-diketonate ligands","Inorganica Chimica Acta","2020","505","","119499","","10.1016/j.ica.2020.119499","","","0.71073","MoKα","","0.0766","0.0477","","","0.1018","0.1199","","","","","","1.056","","","","has coordinates,has disorder","270649","2021-11-15","09:54:25",""
"1565216","10.8475","0.0012","13.0262","0.0013","13.4316","0.0017","69.802","0.005","69.742","0.006","78.28","0.005","1663.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H46 Dy2 F12 N4 O10 S4 -","- C68 H46 Dy2 F12 N4 O10 S4 -","- C68 H46 Dy2 F12 N4 O10 S4 -","1","0.5","","Chang, Yi-Xin; Gao, Ning; Wang, Mei-Ying; Wang, Wan-Ting; Fan, Zi-Wei; Ren, Duo-Duo; Wu, Zhi-Lei; Wang, Wen-Min","Two phenoxo-O bridged dinuclear Dy(III) complexes exhibiting distinct slow magnetic relaxation induced by different β-diketonate ligands","Inorganica Chimica Acta","2020","505","","119499","","10.1016/j.ica.2020.119499","","","0.71073","MoKα","","0.1406","0.0859","","","0.2062","0.2532","","","","","","1.065","","","","has coordinates,has disorder","270650","2021-11-15","09:55:36",""
"1565217","11.8615","0.0004","12.0691","0.0004","16.1841","0.0007","90","","98.043","0.002","90","","2294.09","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 I2 Mo N3 O6 -","- C18 H17 I2 Mo N3 O6 -","- C72 H68 I8 Mo4 N12 O24 -","4","1","","Kuriakose, Daly; Prathapachandra Kurup, M.R.","Supramolecular frameworks formed via hydrogen bonding and non-covalent interactions and interaction energy calculations of solvent coordinated cis-dioxomolybdenum(VI) complexes derived from ONO donor aroylhydrazone: Cytotoxicity studies","Inorganica Chimica Acta","2020","505","","119472","","10.1016/j.ica.2020.119472","","","0.71073","MoKα","","0.0475","0.032","","","0.0692","0.0761","","","","","","1.025","","","","has coordinates","270651","2021-11-15","10:04:19",""
"1565218","7.916","0.0005","12.1801","0.0006","22.9231","0.0014","90","","97.752","0.003","90","","2190","0.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 I2 Mo N2 O6 S -","- C17 H16 I2 Mo N2 O6 S -","- C68 H64 I8 Mo4 N8 O24 S4 -","4","1","","Kuriakose, Daly; Prathapachandra Kurup, M.R.","Supramolecular frameworks formed via hydrogen bonding and non-covalent interactions and interaction energy calculations of solvent coordinated cis-dioxomolybdenum(VI) complexes derived from ONO donor aroylhydrazone: Cytotoxicity studies","Inorganica Chimica Acta","2020","505","","119472","","10.1016/j.ica.2020.119472","","","0.71073","MoKα","","0.0431","0.0285","","","0.0538","0.059","","","","","","1.02","","","","has coordinates","270652","2021-11-15","10:05:35",""
"1565219","8.4256","0.001","11.4374","0.0014","12.396","0.0016","109.254","0.006","90.143","0.006","95.456","0.005","1121.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 I2 Mo N3 O5 -","- C20 H15 I2 Mo N3 O5 -","- C40 H30 I4 Mo2 N6 O10 -","2","1","","Kuriakose, Daly; Prathapachandra Kurup, M.R.","Supramolecular frameworks formed via hydrogen bonding and non-covalent interactions and interaction energy calculations of solvent coordinated cis-dioxomolybdenum(VI) complexes derived from ONO donor aroylhydrazone: Cytotoxicity studies","Inorganica Chimica Acta","2020","505","","119472","","10.1016/j.ica.2020.119472","","","0.71073","MoKα","","0.0467","0.0392","","","0.1067","0.1109","","","","","","1.077","","","","has coordinates","270653","2021-11-15","10:07:04",""
"1565220","8.441","0.0004","12.1874","0.0006","12.3119","0.0005","110.506","0.002","99.493","0.002","90.853","0.002","1166.45","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 I2 Mo N3 O5 -","- C21 H17 I2 Mo N3 O5 -","- C42 H34 I4 Mo2 N6 O10 -","2","1","","Kuriakose, Daly; Prathapachandra Kurup, M.R.","Supramolecular frameworks formed via hydrogen bonding and non-covalent interactions and interaction energy calculations of solvent coordinated cis-dioxomolybdenum(VI) complexes derived from ONO donor aroylhydrazone: Cytotoxicity studies","Inorganica Chimica Acta","2020","505","","119472","","10.1016/j.ica.2020.119472","","","0.71073","MoKα","","0.036","0.0284","","","0.0742","0.0801","","","","","","0.968","","","","has coordinates","270654","2021-11-15","10:08:12",""
"1565221","9.1929","0.0006","24.4368","0.0017","13.3037","0.0009","90","","94.56","0.002","90","","2979.2","0.3","275","2","275","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H30 N2 O4.5 Sn -","- C35 H31 N2 O4.5 Sn -","- C140 H124 N8 O18 Sn4 -","4","2","","Lara-Cerón, Jesús A.; Jiménez-Pérez, Víctor M.; Molina-Paredes, Areli A.; Ochoa, María E.; Sábio, Rafael M.; Amaral, André C.; da Silva, Robson R.; Ribeiro, Sidney J.L.; da S. Barud, Hernane; Muñoz-Flores, Blanca M.","Ultrasound-assisted synthesis of organotin compounds and their application as luminescent dye in silk fibroin scaffolds","Inorganica Chimica Acta","2020","505","","119490","","10.1016/j.ica.2020.119490","","","0.71073","MoKα","","0.0781","0.0636","","","0.1534","0.1641","","","","","","1.111","","","","has coordinates","270655","2021-11-15","10:12:47",""
"1565222","19.8009","0.0005","13.2812","0.0003","14.8388","0.0004","90","","90","","90","","3902.3","0.17","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C13 H28 In N3 S2 Se -","- C13 H28 In N3 S2 Se -","- C104 H224 In8 N24 S16 Se8 -","8","0.5","","Park, Joo-Hyun; Chung, Taek-Mo; Park, Bo Keun; Kim, Chang Gyoun","Indium complexes with aminothiolate ligands as single precursors for indium chalcogenides","Inorganica Chimica Acta","2020","505","","119504","","10.1016/j.ica.2020.119504","","","0.71073","MoKα","","0.0139","0.0132","","","0.0344","0.0348","","","","","","0.763","","","","has coordinates","270656","2021-11-15","10:18:19",""
"1565223","10.559","0.0002","11.094","0.0002","15.2071","0.0002","90","","90","","90","","1781.38","0.05","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 Cl In N2 S2 -","- C12 H28 Cl In N2 S2 -","- C48 H112 Cl4 In4 N8 S8 -","4","1","","Park, Joo-Hyun; Chung, Taek-Mo; Park, Bo Keun; Kim, Chang Gyoun","Indium complexes with aminothiolate ligands as single precursors for indium chalcogenides","Inorganica Chimica Acta","2020","505","","119504","","10.1016/j.ica.2020.119504","","","0.71073","MoKα","","0.0127","0.0126","","","0.0312","0.0312","","","","","","1.084","","","","has coordinates","270656","2021-11-15","10:18:23",""
"1565224","25.293","0.0004","14.6432","0.0003","20.5612","0.0004","90","","113.05","0.0012","90","","7007.3","0.2","120","2","120","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C68 H72 B2 F8 N4 Ni2 O P4 S4 -","- C68 H72 B2 F8 N4 Ni2 O P4 S4 -","- C272 H288 B8 F32 N16 Ni8 O4 P16 S16 -","4","1","","Hamaguchi, Tomohiko; Kai, Keisuke; Ando, Isao; Kawano, Ken; Yamauchi, Kosei; Sakai, Ken","A dinuclear nickel catalyst based on metal–metal cooperation for electrochemical hydrogen production","Inorganica Chimica Acta","2020","505","","119498","","10.1016/j.ica.2020.119498","","","0.71075","MoKα","","0.0521","0.0443","","","0.1237","0.1287","","","","","","1.014","","","","has coordinates,has disorder","270657","2021-11-15","10:26:03",""
"1565225","30.491","0.008","30.491","0.009","15.224","0.004","90","","90","","90","","14154","7","293","2","293","2","","","","","","","","6","I 41","I 4bw","80","","","","- C60 H96 Cl2 Cu4 N4 O17 -","- C60 H96 Cl2 Cu4 N4 O17 -","- C480 H768 Cl16 Cu32 N32 O136 -","8","1","","Dasgupta, Sanchari; Mandal, Arnab; Samanta, Debabrata; Zangrando, Ennio; Maity, Suvendu; Das, Debasis","Catalytic promiscuity of a copper(II)-Mannich base complex having unprecedented radical pathway in catecholase activity","Inorganica Chimica Acta","2020","505","","119480","","10.1016/j.ica.2020.119480","","","0.71073","MoKα","","0.1014","0.0619","","","0.1485","0.1736","","","","","","1.033","","","","has coordinates,has disorder","270658","2021-11-15","10:38:58",""
"1565238","22.7117","0.0015","14.5551","0.001","27.4","0.003","90","","91.973","0.007","90","","9052.3","1.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C94 H74 Mn5 N24 O12 -","- C94 H74 Mn5 N24 O12 -","- C376 H296 Mn20 N96 O48 -","4","0.5","","Tang, Qun; Yang, Yanli; Cheng, Ze; Chen, Xiuni; Lin, Qingmei; Zou, Zhiming; Zou, Hua-Hong; Liang, Fu-Pei","Construction and magnetic properties of hemicyclic “phoenix crown” manganese clusters: Molecular assembly from {Mn5} to {Mn10} cluster","Inorganica Chimica Acta","2020","504","","119438","","10.1016/j.ica.2020.119438","","","0.71073","MoKα","","0.0904","0.0637","","","0.1641","0.1894","","","","","","1.065","","","","has coordinates","270676","2021-11-16","09:15:09",""
"1565239","30.019","0.003","19.632","0.002","28.963","0.003","90","","111.683","0.002","90","","15861","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C143 H163 Mn10 N31 O54 -","- C143 H163 Mn10 N31 O54 -","- C572 H652 Mn40 N124 O216 -","4","1","","Tang, Qun; Yang, Yanli; Cheng, Ze; Chen, Xiuni; Lin, Qingmei; Zou, Zhiming; Zou, Hua-Hong; Liang, Fu-Pei","Construction and magnetic properties of hemicyclic “phoenix crown” manganese clusters: Molecular assembly from {Mn5} to {Mn10} cluster","Inorganica Chimica Acta","2020","504","","119438","","10.1016/j.ica.2020.119438","","","0.71073","MoKα","","0.1093","0.0711","","","0.1668","0.1936","","","","","","1.063","","","","has coordinates","270676","2021-11-16","09:15:22",""
"1565240","8.31","0.002","9.129","0.002","19.215","0.004","91.813","0.003","100.173","0.002","98.334","0.003","1417.2","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H20 Cl2 Fe2 N O5 P S2 -","- C25 H20 Cl2 Fe2 N O5 P S2 -","- C50 H40 Cl4 Fe4 N2 O10 P2 S4 -","2","1","","Hu, Shu-Peng; Zhang, Li; Wu, Yu; Feng, Jian-Shen; Wu, Sheng; Xie, Bin; Zou, Li-Ke","[FeFe]-hydrogenase active site mimics containing pyridyl-functionalized phosphine ligands: Synthesis, characterization and electrochemical investigation","Inorganica Chimica Acta","2020","504","","119435","","10.1016/j.ica.2020.119435","","","0.71073","MoKα","","0.0629","0.0555","","","0.1281","0.1313","","","","","","1.192","","","","has coordinates","270677","2021-11-16","09:19:14",""
"1565241","16.6942","0.0007","10.011","0.0004","17.4035","0.0007","90","","115.122","0.001","90","","2633.44","0.19","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Fe2 N O5 P S2 -","- C25 H20 Fe2 N O5 P S2 -","- C100 H80 Fe8 N4 O20 P4 S8 -","4","1","","Hu, Shu-Peng; Zhang, Li; Wu, Yu; Feng, Jian-Shen; Wu, Sheng; Xie, Bin; Zou, Li-Ke","[FeFe]-hydrogenase active site mimics containing pyridyl-functionalized phosphine ligands: Synthesis, characterization and electrochemical investigation","Inorganica Chimica Acta","2020","504","","119435","","10.1016/j.ica.2020.119435","","","0.71073","MoKα","","0.0373","0.0281","","","0.068","0.0723","","","","","","1.074","","","","has coordinates","270678","2021-11-16","09:20:54",""
"1565242","16.6214","0.001","9.9836","0.0006","17.6204","0.0011","90","","115.717","0.001","90","","2634.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Fe2 N O5 P S2 -","- C26 H22 Fe2 N O5 P S2 -","- C104 H88 Fe8 N4 O20 P4 S8 -","4","1","","Hu, Shu-Peng; Zhang, Li; Wu, Yu; Feng, Jian-Shen; Wu, Sheng; Xie, Bin; Zou, Li-Ke","[FeFe]-hydrogenase active site mimics containing pyridyl-functionalized phosphine ligands: Synthesis, characterization and electrochemical investigation","Inorganica Chimica Acta","2020","504","","119435","","10.1016/j.ica.2020.119435","","","0.71073","MoKα","","0.0269","0.0222","","","0.0522","0.0546","","","","","","1.023","","","","has coordinates","270679","2021-11-16","09:23:51",""
"1565243","7.1091","0.0006","9.6797","0.0007","13.6943","0.001","69.535","0.004","89.651","0.004","71.724","0.004","832.65","0.12","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 Cu N2 O2 S4 -","- C30 H28 Cu N2 O2 S4 -","- C30 H28 Cu N2 O2 S4 -","1","0.5","","Ajibade, Peter A.; Fatokun, Amos A.; Andrew, Fartisincha P.","Synthesis, characterization and anti-cancer studies of Mn(II), Cu(II), Zn(II) and Pt(II) dithiocarbamate complexes - crystal structures of the Cu(II) and Pt(II) complexes","Inorganica Chimica Acta","2020","504","","119431","","10.1016/j.ica.2020.119431","","x-ray","0.71073","MoKα","","0.051","0.0362","","","0.0862","0.0915","","","","","","0.996","","","","has coordinates","270680","2021-11-16","09:37:57",""
"1565244","28.219","0.006","17.75","0.004","7.68","0.0016","90","","90","","90","","3846.8","1.4","100","2","100.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 N2 O2 Pt S4 -","- C30 H28 N2 O2 Pt S4 -","- C120 H112 N8 O8 Pt4 S16 -","4","1","","Ajibade, Peter A.; Fatokun, Amos A.; Andrew, Fartisincha P.","Synthesis, characterization and anti-cancer studies of Mn(II), Cu(II), Zn(II) and Pt(II) dithiocarbamate complexes - crystal structures of the Cu(II) and Pt(II) complexes","Inorganica Chimica Acta","2020","504","","119431","","10.1016/j.ica.2020.119431","","x-ray","0.71073","MoKα","","0.0655","0.0613","","","0.1487","0.1514","","","","","","1.035","","","","has coordinates","270680","2021-11-16","09:38:02",""
"1565245","10.1795","0.0002","16.4812","0.0003","16.6731","0.0004","90","","90","","90","","2797.25","0.1","173","","173","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H36 N6 Ni O4 -","- C28 H36 N6 Ni O4 -","- C112 H144 N24 Ni4 O16 -","4","0.5","","Nagar, Suryakant; Chatterjee, Sucheta; Goswami, Dibakar; Cordes, David B.; Slawin, A.M.Z.; Chauhan, Rohit Singh; Prabhu, Pradnya","Reactivity of nickel metal precursors towards amido linked N-heterocyclic carbenes and their catalytic studies for cross coupling reactions","Inorganica Chimica Acta","2020","504","","119446","","10.1016/j.ica.2020.119446","","","0.71073","MoKα","","0.0347","0.0275","","","0.0709","0.0736","","","","","","1.054","","","","has coordinates","270681","2021-11-16","09:42:49",""
"1565246","9.8093","0.0004","16.8345","0.0006","17.7177","0.0005","90","","95.204","0.003","90","","2913.75","0.18","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 N6 Ni O2 -","- C32 H40 N6 Ni O2 -","- C128 H160 N24 Ni4 O8 -","4","1","","Nagar, Suryakant; Chatterjee, Sucheta; Goswami, Dibakar; Cordes, David B.; Slawin, A.M.Z.; Chauhan, Rohit Singh; Prabhu, Pradnya","Reactivity of nickel metal precursors towards amido linked N-heterocyclic carbenes and their catalytic studies for cross coupling reactions","Inorganica Chimica Acta","2020","504","","119446","","10.1016/j.ica.2020.119446","","","0.71073","MoKα","","0.128","0.048","","","0.0825","0.099","","","","","","0.983","","","","has coordinates,has disorder","270682","2021-11-16","09:44:04",""
"1565247","7.206","0.003","18.089","0.008","21.259","0.009","90","","104.489","0.013","90","","2683","2","296","2","296.15","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C21 H18 Br4 Cl3 Dy N2 O3 -","- C21 H18 Br4 Cl3 Dy N2 O3 -","- C84 H72 Br16 Cl12 Dy4 N8 O12 -","4","1","","Yin, Xiuju; Li, Shixiong; Liao, Beiling","Investigation of magneto-structural relation based on a series of mononuclear dysprosium single-ion magnets with high Oh symmetry","Inorganica Chimica Acta","2020","504","","119451","","10.1016/j.ica.2020.119451","","","0.71073","MoKα","","0.1632","0.1215","","","0.2754","0.2922","","","","","","1.278","","","","has coordinates","270683","2021-11-16","09:50:02",""
"1565248","10.46","0.006","7.275","0.004","36.7","0.02","90","","91.994","0.008","90","","2791","3","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Br4 Cl3 Dy N2 O3 -","- C22 H20 Br4 Cl3 Dy N2 O3 -","- C88 H80 Br16 Cl12 Dy4 N8 O12 -","4","1","","Yin, Xiuju; Li, Shixiong; Liao, Beiling","Investigation of magneto-structural relation based on a series of mononuclear dysprosium single-ion magnets with high Oh symmetry","Inorganica Chimica Acta","2020","504","","119451","","10.1016/j.ica.2020.119451","","","0.71073","MoKα","","0.038","0.0299","","","0.0683","0.0714","","","","","","1.108","","","","has coordinates","270683","2021-11-16","09:50:13",""
"1565249","5.3068","0.0004","8.9688","0.0006","15.6014","0.001","81.757","0.005","85.286","0.005","87.395","0.005","731.97","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H38 Cu N8 O6 -","- C28 H38 Cu N8 O6 -","- C28 H38 Cu N8 O6 -","1","0.5","","Sharma, Mitu; Ganeshpandian, Mani; Sanjeev, Airy; Tamilarasan, Ajaykamal; Mattaparthi, Venkata Satish Kumar; Islam, Nashreen S.; Palaniandavar, Mallayan","Bis- and mixed-ligand copper(II) complexes of nalidixic acid the antibacterial drug: Mode of nalidixate coordination determines DNA binding and cleavage and cytotoxicity","Inorganica Chimica Acta","2020","504","","119450","","10.1016/j.ica.2020.119450","","","0.71073","MoKα","","0.061","0.0498","","","0.1053","0.1082","","","","","","1.198","","","","has coordinates","270684","2021-11-16","09:54:29",""
"1565250","8.291","0.0003","7.4556","0.0003","19.2127","0.0006","90","","99.809","0.002","90","","1170.26","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cu N4 O8 -","- C24 H26 Cu N4 O8 -","- C48 H52 Cu2 N8 O16 -","2","0.5","","Sharma, Mitu; Ganeshpandian, Mani; Sanjeev, Airy; Tamilarasan, Ajaykamal; Mattaparthi, Venkata Satish Kumar; Islam, Nashreen S.; Palaniandavar, Mallayan","Bis- and mixed-ligand copper(II) complexes of nalidixic acid the antibacterial drug: Mode of nalidixate coordination determines DNA binding and cleavage and cytotoxicity","Inorganica Chimica Acta","2020","504","","119450","","10.1016/j.ica.2020.119450","","","0.71073","MoKα","","0.052","0.0484","","","0.1438","0.1469","","","","","","1.075","","","","has coordinates","270685","2021-11-16","09:55:45",""
"1565251","9.3352","0.0002","11.6054","0.0003","24.7715","0.0007","90","","90","","90","","2683.71","0.12","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H22 Ag F3 N2 O3 S -","- C31 H22 Ag F3 N2 O3 S -","- C124 H88 Ag4 F12 N8 O12 S4 -","4","1","","Bolotin, Dmitrii S.; Soldatova, Natalia S.; Demakova, Marina Ya.; Novikov, Alexander S.; Ivanov, Daniil M.; Aliyarova, Irina S.; Sapegin, Alexander; Krasavin, Mikhail","Pentacoordinated silver(I) complex featuring 8-phenylquinoline ligands: Interplay of coordination bonds, semicoordination, and stacking interactions","Inorganica Chimica Acta","2020","504","","119453","","10.1016/j.ica.2020.119453","","","0.71073","MoKα","","0.0268","0.0231","","","0.0462","0.0474","","","","","","1.031","","","","has coordinates","270686","2021-11-16","10:01:41",""
"1565252","9.6545","0.0006","11.639","0.0009","11.9233","0.0006","112.086","0.007","112.658","0.005","91.941","0.006","1120.37","0.16","143","0.1","143","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H13 Cl3 Dy N3 O8 -","- C18 H13 Cl3 Dy N3 O8 -","- C36 H26 Cl6 Dy2 N6 O16 -","2","1","","Zhao, Xiaoqing; Zhang, Fenhang; Liu, Yajun; Zhao, Tianhao; Zhao, Hongyan; Xiang, Shuo; Li, Yunchun","A series of luminescent Lnlll-based coordination polymers: Syntheses, structures and luminescent properties","Inorganica Chimica Acta","2020","504","","119459","","10.1016/j.ica.2020.119459","","x-ray","0.71073","MoKα","","0.0487","0.0443","","","0.1117","0.1131","","","","","","1.019","","","","has coordinates","270687","2021-11-16","10:30:23",""
"1565253","9.6945","0.0013","11.244","0.0009","11.9536","0.0013","87.791","0.008","67.24","0.012","80.174","0.009","1183.4","0.3","143","0.1","143","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 Cl3 Eu N3 O8 -","- C19 H15 Cl3 Eu N3 O8 -","- C38 H30 Cl6 Eu2 N6 O16 -","2","1","","Zhao, Xiaoqing; Zhang, Fenhang; Liu, Yajun; Zhao, Tianhao; Zhao, Hongyan; Xiang, Shuo; Li, Yunchun","A series of luminescent Lnlll-based coordination polymers: Syntheses, structures and luminescent properties","Inorganica Chimica Acta","2020","504","","119459","","10.1016/j.ica.2020.119459","","x-ray","0.71073","MoKα","","0.0435","0.0379","","","0.0799","0.0843","","","","","","1.052","","","","has coordinates,has disorder","270687","2021-11-16","10:30:26",""
"1565254","9.6921","0.0006","11.2346","0.0009","11.9007","0.0007","88","0.006","67.275","0.006","80.259","0.006","1177.34","0.15","143","0.1","143","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 Cl3 N3 O8 Sm -","- C19 H14 Cl3 N3 O8 Sm -","- C38 H28 Cl6 N6 O16 Sm2 -","2","1","","Zhao, Xiaoqing; Zhang, Fenhang; Liu, Yajun; Zhao, Tianhao; Zhao, Hongyan; Xiang, Shuo; Li, Yunchun","A series of luminescent Lnlll-based coordination polymers: Syntheses, structures and luminescent properties","Inorganica Chimica Acta","2020","504","","119459","","10.1016/j.ica.2020.119459","","x-ray","0.71073","MoKα","","0.0472","0.0388","","","0.0939","0.1006","","","","","","1.073","","","","has coordinates,has disorder","270687","2021-11-16","10:30:36",""
"1565255","15.9412","0.0005","13.2154","0.0005","14.3335","0.0006","90","","107.641","0.004","90","","2877.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Fe2 N10 O28 -","- C54 H52 Fe2 N10 O28 -","- C108 H104 Fe4 N20 O56 -","2","0.5","","Singh, Munendra Pal; Baruah, Jubaraj B.","Detection of hydroxyaromatics in a superior manner by a water soluble fluorescent iron-complex","Inorganica Chimica Acta","2020","504","","119467","","10.1016/j.ica.2020.119467","","","0.71073","MoKα","","0.0845","0.0587","","","0.1663","0.1907","","","","","","1.004","","","","has coordinates","270688","2021-11-16","10:36:05",""
"1565256","9.1151","0.0004","13.703","0.0012","15.2454","0.0008","103.581","0.006","90.573","0.004","106.205","0.006","1771.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H54 Fe2 N12 O30 -","- C66 H54 Fe2 N12 O30 -","- C66 H54 Fe2 N12 O30 -","1","0.5","","Singh, Munendra Pal; Baruah, Jubaraj B.","Detection of hydroxyaromatics in a superior manner by a water soluble fluorescent iron-complex","Inorganica Chimica Acta","2020","504","","119467","","10.1016/j.ica.2020.119467","","","0.71073","MoKα","","0.074","0.0595","","","0.1784","0.2018","","","","","","1.015","","","","has coordinates","270688","2021-11-16","10:36:14",""
"1565257","9.2055","0.0003","12.3939","0.0011","14.7103","0.0011","95.836","0.007","90.136","0.004","91.583","0.005","1669","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H50 Fe2 N12 O28 -","- C66 H50 Fe2 N12 O28 -","- C66 H50 Fe2 N12 O28 -","1","0.5","","Singh, Munendra Pal; Baruah, Jubaraj B.","Detection of hydroxyaromatics in a superior manner by a water soluble fluorescent iron-complex","Inorganica Chimica Acta","2020","504","","119467","","10.1016/j.ica.2020.119467","","","0.71073","MoKα","","0.0731","0.0535","","","0.1361","0.1566","","","","","","1.038","","","","has coordinates","270688","2021-11-16","10:36:14",""
"1565258","9.5665","0.0006","12.5265","0.0011","13.8746","0.001","87.51","0.006","84.392","0.006","82.603","0.006","1640.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H62 Fe2 N10 O32 -","- C60 H62 Fe2 N10 O32 -","- C60 H62 Fe2 N10 O32 -","1","0.5","","Singh, Munendra Pal; Baruah, Jubaraj B.","Detection of hydroxyaromatics in a superior manner by a water soluble fluorescent iron-complex","Inorganica Chimica Acta","2020","504","","119467","","10.1016/j.ica.2020.119467","","","0.71073","MoKα","","0.0635","0.0463","","","0.1044","0.1149","","","","","","1.041","","","","has coordinates","270688","2021-11-16","10:36:14",""
"1565259","9.5174","0.0005","13.3262","0.0008","13.7708","0.0008","87.033","0.005","74.57","0.005","86.487","0.005","1679.3","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H56 Fe2 N10 O30 -","- C66 H56 Fe2 N10 O30 -","- C66 H56 Fe2 N10 O30 -","1","0.5","","Singh, Munendra Pal; Baruah, Jubaraj B.","Detection of hydroxyaromatics in a superior manner by a water soluble fluorescent iron-complex","Inorganica Chimica Acta","2020","504","","119467","","10.1016/j.ica.2020.119467","","","0.71073","MoKα","","0.076","0.0553","","","0.1431","0.1656","","","","","","1.003","","","","has coordinates","270688","2021-11-16","10:36:17",""
"1565260","7.6253","0.0003","23.219","0.0009","11.6962","0.0004","90","","96.025","0.003","90","","2059.39","0.13","143","2","143","2","","","","","","","","6","I 1 a 1","I -2ya","9","AB111","","","- C13 H20 Ag2 N6 O6 S2 -","- C13 H20 Ag2 N6 O6 S2 -","- C52 H80 Ag8 N24 O24 S8 -","4","1","","Beheshti, Azizolla; Panahi, Fatemeh; Soleymani-Babadi, Susan; Mayer, Peter; Lipkowski, Janusz; Motamedi, Hossein; Samiee, Sepideh","Rational synthesis, structural characterization, theoretical studies, antibacterial activity and selective dye absorption of new silver coordination polymers generated from a flexible bis (imidazole-2-thione) ligand","Inorganica Chimica Acta","2020","504","","119406","","10.1016/j.ica.2019.119406","","","0.71073","MoKα","","0.0299","0.0262","","","0.0535","0.0567","","","","","","1.053","","","","has coordinates","270689","2021-11-16","10:43:32",""
"1565261","11.6893","0.0003","11.6893","0.0003","12.7617","0.0003","90","","90","","90","","1743.76","0.08","293","2","293","2","","","","","","","","6","P 42","P 4c","77","AB91","","","- C13 H20 Ag Br N4 S2 -","- C13 H20 Ag Br N4 S2 -","- C52 H80 Ag4 Br4 N16 S8 -","4","1","","Beheshti, Azizolla; Panahi, Fatemeh; Soleymani-Babadi, Susan; Mayer, Peter; Lipkowski, Janusz; Motamedi, Hossein; Samiee, Sepideh","Rational synthesis, structural characterization, theoretical studies, antibacterial activity and selective dye absorption of new silver coordination polymers generated from a flexible bis (imidazole-2-thione) ligand","Inorganica Chimica Acta","2020","504","","119406","","10.1016/j.ica.2019.119406","","","0.71073","MoKα","","0.0477","0.031","","","0.067","0.0735","","","","","","1.028","","","","has coordinates","270689","2021-11-16","10:43:33",""
"1565262","10.3905","0.0007","13.663","0.0009","14.4405","0.0008","76.772","0.005","85.757","0.005","77.233","0.006","1945.7","0.2","298","","298","","","","","","","","","8","P -1","-P 1","2","","[Ru(Fc-tpy)(bpy)Cl](PF6)","","- C35 H27 Cl F6 Fe N5 P Ru -","- C35 H27 Cl F6 Fe N5 P Ru -","- C70 H54 Cl2 F12 Fe2 N10 P2 Ru2 -","2","1","","Vatsa, Aditi; Padhi, Sumanta Kumar","Catalytic water oxidation by a single site [Ru(Fc-tpy)(bpy)OH2]2+ complex and it’s mechanistic study","Inorganica Chimica Acta","2020","504","","119444","","10.1016/j.ica.2020.119444","","x-ray","0.71073","MoKα","","0.0984","0.0649","","","0.1637","0.1794","","","","","","0.9278","","","","has coordinates","270690","2021-11-16","10:47:41",""
"1565277","12.3222","0.0004","13.9057","0.0006","14.1617","0.0005","105.228","0.004","103.008","0.003","100.239","0.003","2207.7","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Fe2 O6 S2 -","- C20 H14 Fe2 O6 S2 -","- C80 H56 Fe8 O24 S8 -","4","2","","Agarwal, Tashika; Kaur-Ghumaan, Sandeep","Mono- and dinuclear mimics of the [FeFe] hydrogenase enzyme featuring bis(monothiolato) and 1,3,5-triaza-7-phosphaadamantane ligands","Inorganica Chimica Acta","2020","504","","119442","","10.1016/j.ica.2020.119442","","","0.71073","MoKα","","0.0805","0.0482","","","0.0941","0.1126","","","","","","1.041","","","","has coordinates","270713","2021-11-17","08:28:30",""
"1565278","10.3487","0.0008","20.8705","0.0011","12.8039","0.0007","90","","94.273","0.006","90","","2757.7","0.3","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 Fe2 N3 O5 P S2 -","- C25 H26 Fe2 N3 O5 P S2 -","- C100 H104 Fe8 N12 O20 P4 S8 -","4","1","","Agarwal, Tashika; Kaur-Ghumaan, Sandeep","Mono- and dinuclear mimics of the [FeFe] hydrogenase enzyme featuring bis(monothiolato) and 1,3,5-triaza-7-phosphaadamantane ligands","Inorganica Chimica Acta","2020","504","","119442","","10.1016/j.ica.2020.119442","","x-ray","0.71073","MoKα","","0.1725","0.0774","","","0.118","0.1607","","","","","","1.027","","","","has coordinates","270714","2021-11-17","08:29:39",""
"1565279","26.121","0.005","13.885","0.003","15.907","0.003","90","","113.29","0.03","90","","5299","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 Cl2 N5 O2 Ru -","- C27 H23 Cl2 N5 O2 Ru -","- C216 H184 Cl16 N40 O16 Ru8 -","8","1","","Chrzanowska, Marta; Katafias, Anna; Kozakiewicz, Anna; van Eldik, Rudi","Steric and electronic tuning of the reactivity of [RuII(terpy)(N^N)Cl]Cl complexes","Inorganica Chimica Acta","2020","504","","119449","","10.1016/j.ica.2020.119449","","","0.71073","MoKα","","0.192","0.1289","","","0.307","0.35","","","","","","1.075","","","","has coordinates,has disorder","270715","2021-11-17","08:35:07",""
"1565280","14.0064","0.0017","11.0364","0.001","16.083","0.002","90","","108.36","0.014","90","","2359.6","0.5","273","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 Cl2 N5 O4 Ru -","- C21 H27 Cl2 N5 O4 Ru -","- C84 H108 Cl8 N20 O16 Ru4 -","4","1","","Chrzanowska, Marta; Katafias, Anna; Kozakiewicz, Anna; van Eldik, Rudi","Steric and electronic tuning of the reactivity of [RuII(terpy)(N^N)Cl]Cl complexes","Inorganica Chimica Acta","2020","504","","119449","","10.1016/j.ica.2020.119449","","","0.71073","MoKα","","0.0766","0.0441","","","0.0874","0.1","","","","","","1.033","","","","has coordinates","270715","2021-11-17","08:35:07",""
"1565281","9.1764","0.0002","10.2678","0.0002","17.9622","0.0003","80.873","0.001","82.605","0.001","65.372","0.002","1515.29","0.06","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H33 N Ni O P2 -","- C37 H33 N Ni O P2 -","- C74 H66 N2 Ni2 O2 P4 -","2","1","","Madera, Justin; Slattery, Megan; Arman, Hadi D.; Tonzetich, Zachary J.","Suzuki-Miyaura coupling catalyzed by a Ni(II) PNP pincer complex: Scope and mechanistic insights","Inorganica Chimica Acta","2020","504","","119457","","10.1016/j.ica.2020.119457","","x-ray","0.71073","MoKα","","0.033","0.0326","","","0.0775","0.0777","","","","","","1.078","","","","has coordinates","270716","2021-11-17","08:46:36",""
"1565282","11.294","0.002","18.756","0.003","22.036","0.004","92.469","0.007","95.953","0.007","106.944","0.008","4428","1.3","98","","98","","","","","","","","","6","P -1","-P 1","2","","","","- C39.5 H76 N2 Ni P2 Si2 -","- C39.5 H76.5 N2 Ni P2 Si2 -","- C158 H306 N8 Ni4 P8 Si8 -","4","2","","Madera, Justin; Slattery, Megan; Arman, Hadi D.; Tonzetich, Zachary J.","Suzuki-Miyaura coupling catalyzed by a Ni(II) PNP pincer complex: Scope and mechanistic insights","Inorganica Chimica Acta","2020","504","","119457","","10.1016/j.ica.2020.119457","","","0.71075","MoKα","","0.0607","0.0411","","","0.0922","0.1014","","","","","","1.032","","","","has coordinates","275434","2022-05-16","05:31:59",""
"1565283","8.8591","0.0014","12.524","0.0019","18.721","0.003","98.909","0.005","93.742","0.005","100.491","0.005","2008.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Br3 Cd N9 O8 -","- C36 H38 Br3 Cd N9 O8 -","- C72 H76 Br6 Cd2 N18 O16 -","2","1","","Xu, Jie; Zhu, Peizhi; Wang, Yue; Zhang, Kou-Lin","Synthesis, band structure and multi-responsive luminescence sensing behavior of two Cd(II) coordination polymers","Inorganica Chimica Acta","2020","503","","119376","","10.1016/j.ica.2019.119376","","","0.71073","MoKα","","0.0841","0.0469","","","0.0939","0.1054","","","","","","1.005","","","","has coordinates","270717","2021-11-17","08:54:36",""
"1565284","6.996","0.0008","17.1381","0.0019","18.821","0.002","90","","92.923","0.003","90","","2253.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br3 Cd N5 O4 -","- C18 H16 Br3 Cd N5 O4 -","- C72 H64 Br12 Cd4 N20 O16 -","4","1","","Xu, Jie; Zhu, Peizhi; Wang, Yue; Zhang, Kou-Lin","Synthesis, band structure and multi-responsive luminescence sensing behavior of two Cd(II) coordination polymers","Inorganica Chimica Acta","2020","503","","119376","","10.1016/j.ica.2019.119376","","","0.71073","MoKα","","0.0774","0.0652","","","0.1695","0.174","","","","","","1.248","","","","has coordinates","270718","2021-11-17","08:56:52",""
"1565285","12.5933","0.0004","13.4143","0.0004","14.0068","0.0004","72.8758","0.0014","70.9283","0.0014","88.9574","0.0015","2129.17","0.11","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H58 Cl Fe N2 O2 -","- C44 H58 Cl Fe N2 O2 -","- C88 H116 Cl2 Fe2 N4 O4 -","2","1","","Ershova, Irina V.; Bogomyakov, Artem S.; Kubrin, Stanislav P.; Fukin, Georgy K.; Piskunov, Alexandr V.","Electron-donating substituent influence on the spin-crossover phenomenon in iron(III) bis-o-iminobenzosemiquinonates","Inorganica Chimica Acta","2020","503","","119402","","10.1016/j.ica.2019.119402","","","0.71073","MoKα","","0.0828","0.0544","","","0.1237","0.132","","","","","","1.037","","","","has coordinates,has disorder","270719","2021-11-17","09:19:39",""
"1565286","12.3453","0.0004","13.3179","0.0005","13.9366","0.0005","73.056","0.002","71.766","0.002","88.589","0.002","2076.24","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H58 Cl Fe N2 O2 -","- C44 H58 Cl Fe N2 O2 -","- C88 H116 Cl2 Fe2 N4 O4 -","2","1","","Ershova, Irina V.; Bogomyakov, Artem S.; Kubrin, Stanislav P.; Fukin, Georgy K.; Piskunov, Alexandr V.","Electron-donating substituent influence on the spin-crossover phenomenon in iron(III) bis-o-iminobenzosemiquinonates","Inorganica Chimica Acta","2020","503","","119402","","10.1016/j.ica.2019.119402","","","0.71073","MoKα","","0.0761","0.0515","","","0.1092","0.1154","","","","","","1.015","","","","has coordinates,has disorder","270719","2021-11-17","09:19:41",""
"1565287","12.7668","0.0007","13.2659","0.0007","14.083","0.0008","106.411","0.002","110.64","0.002","91.246","0.002","2121.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H58 Br Fe N2 O2 -","- C44 H58 Br Fe N2 O2 -","- C88 H116 Br2 Fe2 N4 O4 -","2","1","","Ershova, Irina V.; Bogomyakov, Artem S.; Kubrin, Stanislav P.; Fukin, Georgy K.; Piskunov, Alexandr V.","Electron-donating substituent influence on the spin-crossover phenomenon in iron(III) bis-o-iminobenzosemiquinonates","Inorganica Chimica Acta","2020","503","","119402","","10.1016/j.ica.2019.119402","","","0.71073","MoKα","","0.0655","0.0476","","","0.0971","0.1067","","","","","","1.011","","","","has coordinates","270719","2021-11-17","09:19:41",""
"1565288","12.8021","0.0006","13.4299","0.0006","14.1357","0.0007","107.09","0.002","109.83","0.002","90.686","0.002","2168.38","0.18","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H58 Br Fe N2 O2 -","- C44 H58 Br Fe N2 O2 -","- C88 H116 Br2 Fe2 N4 O4 -","2","1","","Ershova, Irina V.; Bogomyakov, Artem S.; Kubrin, Stanislav P.; Fukin, Georgy K.; Piskunov, Alexandr V.","Electron-donating substituent influence on the spin-crossover phenomenon in iron(III) bis-o-iminobenzosemiquinonates","Inorganica Chimica Acta","2020","503","","119402","","10.1016/j.ica.2019.119402","","","0.71073","MoKα","","0.1198","0.0741","","","0.1433","0.1654","","","","","","1.053","","","","has coordinates","270719","2021-11-17","09:19:41",""
"1565289","12.8492","0.0003","13.2254","0.0003","14.1086","0.0003","106.088","0.002","110.111","0.002","92.07","0.002","2140.14","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H58 Fe I N2 O2 -","- C44 H58 Fe I N2 O2 -","- C88 H116 Fe2 I2 N4 O4 -","2","1","","Ershova, Irina V.; Bogomyakov, Artem S.; Kubrin, Stanislav P.; Fukin, Georgy K.; Piskunov, Alexandr V.","Electron-donating substituent influence on the spin-crossover phenomenon in iron(III) bis-o-iminobenzosemiquinonates","Inorganica Chimica Acta","2020","503","","119402","","10.1016/j.ica.2019.119402","","","0.71073","MoKα","","0.0302","0.0246","","","0.0588","0.061","","","","","","1.064","","","","has coordinates","270719","2021-11-17","09:19:41",""
"1565290","12.9953","0.0002","13.3656","0.0002","14.1909","0.0003","106.656","0.002","109.831","0.002","92.029","0.001","2197.17","0.08","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H58 Fe I N2 O2 -","- C44 H58 Fe I N2 O2 -","- C88 H116 Fe2 I2 N4 O4 -","2","1","","Ershova, Irina V.; Bogomyakov, Artem S.; Kubrin, Stanislav P.; Fukin, Georgy K.; Piskunov, Alexandr V.","Electron-donating substituent influence on the spin-crossover phenomenon in iron(III) bis-o-iminobenzosemiquinonates","Inorganica Chimica Acta","2020","503","","119402","","10.1016/j.ica.2019.119402","","","0.71073","MoKα","","0.0372","0.029","","","0.0756","0.0795","","","","","","1.043","","","","has coordinates","270719","2021-11-17","09:19:41",""
"1565291","13.1502","0.0008","23.8084","0.0015","13.854","0.0009","90","","104.715","0.0012","90","","4195.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H58 Fe N5 O2 -","- C44 H58 Fe N5 O2 -","- C176 H232 Fe4 N20 O8 -","4","1","","Ershova, Irina V.; Bogomyakov, Artem S.; Kubrin, Stanislav P.; Fukin, Georgy K.; Piskunov, Alexandr V.","Electron-donating substituent influence on the spin-crossover phenomenon in iron(III) bis-o-iminobenzosemiquinonates","Inorganica Chimica Acta","2020","503","","119402","","10.1016/j.ica.2019.119402","","","0.71073","MoKα","","0.0446","0.0359","","","0.0895","0.0927","","","","","","1.026","","","","has coordinates","270719","2021-11-17","09:19:41",""
"1565292","13.2287","0.0004","24.0514","0.0007","13.922","0.0004","90","","104.525","0.0013","90","","4288","0.2","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H58 Fe N5 O2 -","- C44 H58 Fe N5 O2 -","- C176 H232 Fe4 N20 O8 -","4","1","","Ershova, Irina V.; Bogomyakov, Artem S.; Kubrin, Stanislav P.; Fukin, Georgy K.; Piskunov, Alexandr V.","Electron-donating substituent influence on the spin-crossover phenomenon in iron(III) bis-o-iminobenzosemiquinonates","Inorganica Chimica Acta","2020","503","","119402","","10.1016/j.ica.2019.119402","","","0.71073","MoKα","","0.0662","0.0483","","","0.1228","0.1295","","","","","","1.047","","","","has coordinates","270719","2021-11-17","09:19:41",""
"1565293","20.6169","0.0015","16.3793","0.0012","25.2918","0.0019","90","","103.733","0.0018","90","","8296.6","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H58 Fe N3 O3 -","- C45 H58 Fe N3 O3 -","- C360 H464 Fe8 N24 O24 -","8","1","","Ershova, Irina V.; Bogomyakov, Artem S.; Kubrin, Stanislav P.; Fukin, Georgy K.; Piskunov, Alexandr V.","Electron-donating substituent influence on the spin-crossover phenomenon in iron(III) bis-o-iminobenzosemiquinonates","Inorganica Chimica Acta","2020","503","","119402","","10.1016/j.ica.2019.119402","","","0.71073","MoKα","","0.0767","0.0496","","","0.1152","0.124","","","","","","1.031","","","","has coordinates","270719","2021-11-17","09:19:41",""
"1565294","20.6642","0.0017","16.5513","0.0014","25.526","0.002","90","","103.287","0.0019","90","","8496.7","1.2","240","2","240","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H58 Fe N3 O3 -","- C45 H58 Fe N3 O3 -","- C360 H464 Fe8 N24 O24 -","8","1","","Ershova, Irina V.; Bogomyakov, Artem S.; Kubrin, Stanislav P.; Fukin, Georgy K.; Piskunov, Alexandr V.","Electron-donating substituent influence on the spin-crossover phenomenon in iron(III) bis-o-iminobenzosemiquinonates","Inorganica Chimica Acta","2020","503","","119402","","10.1016/j.ica.2019.119402","","","0.71073","MoKα","","0.0883","0.0542","","","0.133","0.1453","","","","","","1.04","","","","has coordinates,has disorder","270719","2021-11-17","09:19:42",""
"1565295","20.646","0.002","16.6388","0.0016","25.64","0.003","90","","103.022","0.002","90","","8581.5","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H58 Fe N3 O3 -","- C45 H58 Fe N3 O3 -","- C360 H464 Fe8 N24 O24 -","8","1","","Ershova, Irina V.; Bogomyakov, Artem S.; Kubrin, Stanislav P.; Fukin, Georgy K.; Piskunov, Alexandr V.","Electron-donating substituent influence on the spin-crossover phenomenon in iron(III) bis-o-iminobenzosemiquinonates","Inorganica Chimica Acta","2020","503","","119402","","10.1016/j.ica.2019.119402","","","0.71073","MoKα","","0.093","0.0606","","","0.1593","0.1736","","","","","","1.035","","","","has coordinates,has disorder","270719","2021-11-17","09:19:42",""
"1565296","9.3389","0.0006","10.9278","0.0009","20.7766","0.0011","89.154","0.005","85.906","0.005","71.468","0.007","2005.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 N14 Ni O9 -","- C38 H32 N14 Ni O9 -","- C76 H64 N28 Ni2 O18 -","2","1","","Mandal, Arkalekha; Ghosh, Subhendu; Nath, Bhaskar; Patel, Bhisma Kumar","Role of non-covalent interactions to dictate chiral selective self-assembly in Ni(II), Cu(II) and Cd(II) complexes of a racemic 1,2-dihydroquinazolinone ligand","Inorganica Chimica Acta","2020","503","","119399","","10.1016/j.ica.2019.119399","","","0.71073","MoKα","","0.0946","0.0721","","","0.2054","0.2298","","","","","","1.055","","","","has coordinates,has disorder","270720","2021-11-17","09:31:05",""
"1565297","7.5196","0.0002","11.3616","0.0003","13.2177","0.0003","79.327","0.001","83.058","0.001","89.659","0.001","1101.42","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Cu N8 O8 -","- C19 H18 Cu N8 O8 -","- C38 H36 Cu2 N16 O16 -","2","1","","Mandal, Arkalekha; Ghosh, Subhendu; Nath, Bhaskar; Patel, Bhisma Kumar","Role of non-covalent interactions to dictate chiral selective self-assembly in Ni(II), Cu(II) and Cd(II) complexes of a racemic 1,2-dihydroquinazolinone ligand","Inorganica Chimica Acta","2020","503","","119399","","10.1016/j.ica.2019.119399","","","0.71073","MoKα","","0.0379","0.0313","","","0.0878","0.0925","","","","","","1.006","","","","has coordinates","270720","2021-11-17","09:31:26",""
"1565298","9.0312","0.0002","10.9975","0.0003","16.3166","0.0005","99.557","0.002","93.746","0.002","106.265","0.002","1523.38","0.07","293","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Cd N9 O9 -","- C22 H24 Cd N9 O9 -","- C44 H48 Cd2 N18 O18 -","2","1","","Mandal, Arkalekha; Ghosh, Subhendu; Nath, Bhaskar; Patel, Bhisma Kumar","Role of non-covalent interactions to dictate chiral selective self-assembly in Ni(II), Cu(II) and Cd(II) complexes of a racemic 1,2-dihydroquinazolinone ligand","Inorganica Chimica Acta","2020","503","","119399","","10.1016/j.ica.2019.119399","","","0.71073","MoKα","","0.0457","0.0456","","","0.1299","0.13","","","","","","1.008","","","","has coordinates","270720","2021-11-17","09:31:30",""
"1565299","9.4746","0.0004","13.4468","0.0004","21.0201","0.0006","90","","98.983","0.003","90","","2645.18","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 Cd2 N26 O4 -","- C44 H46 Cd2 N26 O4 -","- C88 H92 Cd4 N52 O8 -","2","0.5","","Mandal, Arkalekha; Ghosh, Subhendu; Nath, Bhaskar; Patel, Bhisma Kumar","Role of non-covalent interactions to dictate chiral selective self-assembly in Ni(II), Cu(II) and Cd(II) complexes of a racemic 1,2-dihydroquinazolinone ligand","Inorganica Chimica Acta","2020","503","","119399","","10.1016/j.ica.2019.119399","","","0.71073","MoKα","","0.0537","0.0377","","","0.0847","0.0971","","","","","","1","","","","has coordinates","270720","2021-11-17","09:31:34",""
"1565300","7.274","0.0005","8.5854","0.0005","14.5486","0.0011","82.246","0.006","76.509","0.006","81.09","0.005","868.2","0.11","","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 N5 Ni O8 -","- C14 H15 N5 Ni O8 -","- C28 H30 N10 Ni2 O16 -","2","1","","Singh, Yogendra; Patel, R.N.; Patel, S.K.; Jadeja, R.N.; Patel, A.K.; Patel, N.; Roy, H.; Bhagriya, P.; Singh, Rita; Butcher, R.J.; Jasinski, Jerry P.; Herrero, S.; Cortijo, M.","Supramolecular assemblies of new pseudohalide end-to-end bridged copper(II) complex and molecular structural variety of penta and hexa-coordinted metal(II) complexes with hydrazido-based ligand","Inorganica Chimica Acta","2020","503","","119371","","10.1016/j.ica.2019.119371","","","1.54184","CuKα","","0.0782","0.0746","","","0.1859","0.1881","","","","","","2.1932","","","","has coordinates,has disorder","270722","2021-11-17","09:36:12",""
"1565301","7.9488","0.0007","11.8141","0.0009","10.2189","0.0009","90","","108.275","0.01","90","","911.23","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H17 Cu N5 O9 -","- C14 H17 Cu N5 O9 -","- C28 H34 Cu2 N10 O18 -","2","1","","Singh, Yogendra; Patel, R.N.; Patel, S.K.; Jadeja, R.N.; Patel, A.K.; Patel, N.; Roy, H.; Bhagriya, P.; Singh, Rita; Butcher, R.J.; Jasinski, Jerry P.; Herrero, S.; Cortijo, M.","Supramolecular assemblies of new pseudohalide end-to-end bridged copper(II) complex and molecular structural variety of penta and hexa-coordinted metal(II) complexes with hydrazido-based ligand","Inorganica Chimica Acta","2020","503","","119371","","10.1016/j.ica.2019.119371","","","1.54184","CuKα","","0.0483","0.0473","","","0.1259","0.1277","","","","","","1.065","","","","has coordinates","270723","2021-11-17","09:37:43",""
"1565302","12.2765","0.0006","15.0985","0.0008","18.1055","0.0007","94.701","0.004","90.228","0.004","90.494","0.004","3344.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cl2 N6 Ni O12 -","- C28 H30 Cl2 N6 Ni O12 -","- C112 H120 Cl8 N24 Ni4 O48 -","4","2","","Singh, Yogendra; Patel, R.N.; Patel, S.K.; Jadeja, R.N.; Patel, A.K.; Patel, N.; Roy, H.; Bhagriya, P.; Singh, Rita; Butcher, R.J.; Jasinski, Jerry P.; Herrero, S.; Cortijo, M.","Supramolecular assemblies of new pseudohalide end-to-end bridged copper(II) complex and molecular structural variety of penta and hexa-coordinted metal(II) complexes with hydrazido-based ligand","Inorganica Chimica Acta","2020","503","","119371","","10.1016/j.ica.2019.119371","","","1.54184","CuKα","","0.0694","0.0594","","","0.1607","0.1762","","","","","","1.02","","","","has coordinates,has disorder","270724","2021-11-17","09:39:38",""
"1565303","15.5879","0.0005","7.0707","0.0002","27.3859","0.0009","90","","90","","90","","3018.4","0.16","","","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H24 Cu2 N8 O2 S2 -","- C30 H24 Cu2 N8 O2 S2 -","- C120 H96 Cu8 N32 O8 S8 -","4","0.5","","Singh, Yogendra; Patel, R.N.; Patel, S.K.; Jadeja, R.N.; Patel, A.K.; Patel, N.; Roy, H.; Bhagriya, P.; Singh, Rita; Butcher, R.J.; Jasinski, Jerry P.; Herrero, S.; Cortijo, M.","Supramolecular assemblies of new pseudohalide end-to-end bridged copper(II) complex and molecular structural variety of penta and hexa-coordinted metal(II) complexes with hydrazido-based ligand","Inorganica Chimica Acta","2020","503","","119371","","10.1016/j.ica.2019.119371","","","1.54184","CuKα","","0.0443","0.0404","","","0.106","0.1101","","","","","","1.0988","","","","has coordinates,has disorder","270725","2021-11-17","09:41:16",""
"1565304","7.6525","0.0002","15.2519","0.0004","10.5906","0.0003","90","","90","","90","","1236.08","0.06","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C56 H52 N12 O4 -","4","1","","Singh, Yogendra; Patel, R.N.; Patel, S.K.; Jadeja, R.N.; Patel, A.K.; Patel, N.; Roy, H.; Bhagriya, P.; Singh, Rita; Butcher, R.J.; Jasinski, Jerry P.; Herrero, S.; Cortijo, M.","Supramolecular assemblies of new pseudohalide end-to-end bridged copper(II) complex and molecular structural variety of penta and hexa-coordinted metal(II) complexes with hydrazido-based ligand","Inorganica Chimica Acta","2020","503","","119371","","10.1016/j.ica.2019.119371","","","1.54184","CuKα","","0.0349","0.0341","","","0.0908","0.0917","","","","","","1.044","","","","has coordinates","270726","2021-11-17","09:42:51",""
"1565305","30.03","0.0006","6.9373","0.0001","18.698","0.0004","90","","91.437","0.002","90","","3894.08","0.13","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H30 Cd N4 O8 -","- C48 H30 Cd N4 O8 -","- C192 H120 Cd4 N16 O32 -","4","0.5","","Li, Bin; Yan, Qing-Qing; Yong, Guo-Ping","Crystal structures and properties of four coordination polymers based on a new asymmetric ligand: Tuning structure/dimensionality by various organic solvents","Inorganica Chimica Acta","2020","503","","119403","","10.1016/j.ica.2019.119403","","","1.54184","CuKα","","0.0318","0.0309","","","0.087","0.0877","","","","","","1.078","","","","has coordinates","270727","2021-11-17","09:47:12",""
"1565306","29.9077","0.0012","6.8569","0.0003","18.8835","0.0007","90","","93.722","0.004","90","","3864.3","0.3","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H30 Co N4 O8 -","- C48 H30 Co N4 O8 -","- C192 H120 Co4 N16 O32 -","4","0.5","","Li, Bin; Yan, Qing-Qing; Yong, Guo-Ping","Crystal structures and properties of four coordination polymers based on a new asymmetric ligand: Tuning structure/dimensionality by various organic solvents","Inorganica Chimica Acta","2020","503","","119403","","10.1016/j.ica.2019.119403","","","1.54184","CuKα","","0.0547","0.0517","","","0.1414","0.1448","","","","","","1.047","","","","has coordinates","270728","2021-11-17","09:48:18",""
"1565307","30.6585","0.0009","6.7749","0.0002","18.7891","0.0005","90","","93.895","0.003","90","","3893.64","0.19","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H30 N4 O8 Zn -","- C48 H30 N4 O8 Zn -","- C192 H120 N16 O32 Zn4 -","4","0.5","","Li, Bin; Yan, Qing-Qing; Yong, Guo-Ping","Crystal structures and properties of four coordination polymers based on a new asymmetric ligand: Tuning structure/dimensionality by various organic solvents","Inorganica Chimica Acta","2020","503","","119403","","10.1016/j.ica.2019.119403","","","1.54184","CuKα","","0.0502","0.0452","","","0.1345","0.1403","","","","","","1.06","","","","has coordinates","270729","2021-11-17","09:49:36",""
"1565308","18.5222","0.0004","17.8724","0.0004","7.093","0.0002","90","","100.078","0.002","90","","2311.81","0.1","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 Ni O6 -","- C24 H18 N2 Ni O6 -","- C96 H72 N8 Ni4 O24 -","4","1","","Li, Bin; Yan, Qing-Qing; Yong, Guo-Ping","Crystal structures and properties of four coordination polymers based on a new asymmetric ligand: Tuning structure/dimensionality by various organic solvents","Inorganica Chimica Acta","2020","503","","119403","","10.1016/j.ica.2019.119403","","","1.54184","CuKα","","0.0633","0.0562","","","0.1557","0.1633","","","","","","1.044","","","","has coordinates","270730","2021-11-17","09:50:37",""
"1565309","17.664","0.002","19.9347","0.0015","13.9132","0.001","90","","126.815","0.009","90","","3922.2","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Br2 Co N2 S2 -","- C18 H16 Br2 Co N2 S2 -","- C144 H128 Br16 Co8 N16 S16 -","8","1","","Liu, Wei-Xia; Xie, Zhen-Lang; Zhan, Jun-Zheng; Zhan, Shu-Zhong; Wu, Song-Ping","Synthesis, characterization, magnetic anisotropy and catalytic behaviors of a cobalt complex of S,S′-bis(2-pyridylmethyl)-1,2-thiobenzene","Inorganica Chimica Acta","2020","503","","119400","","10.1016/j.ica.2019.119400","","","0.71073","MoKα","","0.1488","0.064","","","0.1236","0.171","","","","","","0.88","","","","has coordinates","270731","2021-11-17","10:10:02",""
"1565310","16.046","0.0003","11.62451","0.00018","11.1879","0.0002","90","","97.8025","0.0019","90","","2067.52","0.06","119.97","0.17","119.97","0.17","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 Mo N O6 -","- C19 H29 Mo N O6 -","- C76 H116 Mo4 N4 O24 -","4","1","","Salonen, Pasi; Peuronen, Anssi; Lehtonen, Ari","Bioinspired Mo, W and V complexes bearing a highly hydroxyl-functionalized Schiff base ligand","Inorganica Chimica Acta","2020","503","","119414","","10.1016/j.ica.2020.119414","","x-ray","0.71073","MoKα","","0.0301","0.0251","","","0.0613","0.0643","","","","","","1.044","","","","has coordinates","270732","2021-11-17","10:19:42",""
"1565311","19.6296","0.0006","9.2339","0.0002","11.4363","0.0004","90","","95.334","0.003","90","","2063.94","0.11","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H31 N O7 W -","- C19 H31 N O7 W -","- C76 H124 N4 O28 W4 -","4","1","","Salonen, Pasi; Peuronen, Anssi; Lehtonen, Ari","Bioinspired Mo, W and V complexes bearing a highly hydroxyl-functionalized Schiff base ligand","Inorganica Chimica Acta","2020","503","","119414","","10.1016/j.ica.2020.119414","","x-ray","1.54184","CuKα","","0.0494","0.04","","","0.1015","0.1107","","","","","","1.058","","","","has coordinates","270732","2021-11-17","10:19:53",""
"1565312","16.5881","0.0005","11.6102","0.0003","12.0429","0.0003","90","","109.853","0.003","90","","2181.51","0.11","119.98","0.13","119.98","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H62 N4 O10 V2 -","- C42 H62 N4 O10 V2 -","- C84 H124 N8 O20 V4 -","2","0.5","","Salonen, Pasi; Peuronen, Anssi; Lehtonen, Ari","Bioinspired Mo, W and V complexes bearing a highly hydroxyl-functionalized Schiff base ligand","Inorganica Chimica Acta","2020","503","","119414","","10.1016/j.ica.2020.119414","","x-ray","0.71073","MoKα","","0.0448","0.0364","","","0.0867","0.0931","","","","","","1.033","","","","has coordinates","270732","2021-11-17","10:19:57",""
"1565341","11.8079","0.0013","20.321","0.0016","23.0739","0.0014","90","","90","","90","","5536.5","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H24 Cl2 Hg N4 -","- C33 H24 Cl2 Hg N4 -","- C264 H192 Cl16 Hg8 N32 -","8","1","","Godde, Bérangère; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais; Jouaiti, Abdelaziz","Variations around 1D coordination polymers built from the triarylamine scaffold and Hg(II) or Cd(II)","Inorganica Chimica Acta","2020","503","","119427","","10.1016/j.ica.2020.119427","","","0.71073","MoKα","","0.1044","0.0772","","","0.116","0.1236","","","","","","1.305","","","","has coordinates","270796","2021-11-22","10:10:37",""
"1565342","8.6923","0.0008","12.1251","0.0011","17.5157","0.0018","73.766","0.004","80.338","0.004","77.144","0.004","1717","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34.25 H25.25 Cl5.75 Hg N4 -","- C34.25 H25.25 Cl5.75 Hg N4 -","- C68.5 H50.5 Cl11.5 Hg2 N8 -","2","1","","Godde, Bérangère; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais; Jouaiti, Abdelaziz","Variations around 1D coordination polymers built from the triarylamine scaffold and Hg(II) or Cd(II)","Inorganica Chimica Acta","2020","503","","119427","","10.1016/j.ica.2020.119427","","","0.71073","MoKα","","0.0836","0.0482","","","0.0981","0.1065","","","","","","1.049","","","","has coordinates","270797","2021-11-22","10:11:43",""
"1565343","13.7385","0.0013","21.0792","0.0015","22.193","0.0017","104.522","0.005","99.993","0.004","108.605","0.004","5666.9","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H74 Cd2 Cl6 I4 N8 -","- C104 H74 Cd2 Cl6 I4 N8 -","- C208 H148 Cd4 Cl12 I8 N16 -","2","1","","Godde, Bérangère; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais; Jouaiti, Abdelaziz","Variations around 1D coordination polymers built from the triarylamine scaffold and Hg(II) or Cd(II)","Inorganica Chimica Acta","2020","503","","119427","","10.1016/j.ica.2020.119427","","","0.71073","MoKα","","0.1453","0.0952","","","0.2288","0.2586","","","","","","1.058","","","","has coordinates,has disorder","270798","2021-11-22","10:12:56",""
"1565344","12.669","0.002","20.792","0.003","21.234","0.003","90","","104.749","0.005","90","","5409","1.4","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C105 H75 Cl13 Hg2 N8 -","- C105 H75 Cl13 Hg2 N8 -","- C210 H150 Cl26 Hg4 N16 -","2","0.5","","Godde, Bérangère; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais; Jouaiti, Abdelaziz","Variations around 1D coordination polymers built from the triarylamine scaffold and Hg(II) or Cd(II)","Inorganica Chimica Acta","2020","503","","119427","","10.1016/j.ica.2020.119427","","","0.71073","MoKα","","0.199","0.0868","","","0.21","0.2608","","","","","","1.096","","","","has coordinates","270799","2021-11-22","10:14:01",""
"1565347","17.2741","0.0005","20.8585","0.0005","27.3924","0.0008","90","","95.259","0.002","90","","9828.3","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H42 Cl18 O12 P2 Pt12 Sn10 -","- C58 H42 Cl18 O12 P2 Pt12 Sn10 -","- C232 H168 Cl72 O48 P8 Pt48 Sn40 -","4","0.5","","Berti, Beatrice; Bortoluzzi, Marco; Cesari, Cristiana; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Reactions of [Pt6(CO)6(SnX2)2(SnX3)4]4– (X = Cl, Br) with Acids: Syntheses and molecular structures of [Pt12(CO)10(SnCl)2(SnCl2)4{Cl2Sn(μ-OH)SnCl2}2]2– And [Pt7(CO)6(SnBr2)4{Br2Sn(μ-OH)SnBr2}{Br2Sn(μ-Br)SnBr2}]2– Platinum carbonyl clusters decorated by Sn(II)-Fragments","Inorganica Chimica Acta","2020","503","","119432","","10.1016/j.ica.2020.119432","","","0.71073","MoKα","","0.0482","0.0398","","","0.1102","0.1173","","","","","","1.036","","","","has coordinates","270824","2021-11-23","09:29:48",""
"1565348","12.3993","0.0013","13.856","0.0015","14.3072","0.0015","67.521","0.002","75.474","0.002","76.359","0.002","2171.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H41 Br17 O7 P2 Pt7 Sn8 -","- C54 H41 Br17 O7 P2 Pt7 Sn8 -","- C54 H41 Br17 O7 P2 Pt7 Sn8 -","1","0.5","","Berti, Beatrice; Bortoluzzi, Marco; Cesari, Cristiana; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Reactions of [Pt6(CO)6(SnX2)2(SnX3)4]4– (X = Cl, Br) with Acids: Syntheses and molecular structures of [Pt12(CO)10(SnCl)2(SnCl2)4{Cl2Sn(μ-OH)SnCl2}2]2– And [Pt7(CO)6(SnBr2)4{Br2Sn(μ-OH)SnBr2}{Br2Sn(μ-Br)SnBr2}]2– Platinum carbonyl clusters decorated by Sn(II)-Fragments","Inorganica Chimica Acta","2020","503","","119432","","10.1016/j.ica.2020.119432","","","0.71073","MoKα","","0.0507","0.0401","","","0.0807","0.0839","","","","","","1.089","","","","has coordinates,has disorder","270824","2021-11-23","09:29:59",""
"1565349","12.3712","0.0013","13.8323","0.0015","14.2847","0.0016","67.506","0.002","75.358","0.002","76.354","0.002","2158.4","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H41 Br17 O7 P2 Pt7 Sn8 -","- C54 H41 Br17 O7 P2 Pt7 Sn8 -","- C54 H41 Br17 O7 P2 Pt7 Sn8 -","1","0.5","","Berti, Beatrice; Bortoluzzi, Marco; Cesari, Cristiana; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Reactions of [Pt6(CO)6(SnX2)2(SnX3)4]4– (X = Cl, Br) with Acids: Syntheses and molecular structures of [Pt12(CO)10(SnCl)2(SnCl2)4{Cl2Sn(μ-OH)SnCl2}2]2– And [Pt7(CO)6(SnBr2)4{Br2Sn(μ-OH)SnBr2}{Br2Sn(μ-Br)SnBr2}]2– Platinum carbonyl clusters decorated by Sn(II)-Fragments","Inorganica Chimica Acta","2020","503","","119432","","10.1016/j.ica.2020.119432","","","0.71073","MoKα","","0.0466","0.0421","","","0.1168","0.1194","","","","","","1.113","","","","has coordinates,has disorder","270824","2021-11-23","09:30:03",""
"1565350","11.7995","0.0006","12.4409","0.0006","13.599","0.0007","64.707","0.002","71.374","0.002","71.958","0.002","1675.04","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H20 Br7 O P Pt Sn2 -","- C25 H20 Br7 O P Pt Sn2 -","- C50 H40 Br14 O2 P2 Pt2 Sn4 -","2","1","","Berti, Beatrice; Bortoluzzi, Marco; Cesari, Cristiana; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Reactions of [Pt6(CO)6(SnX2)2(SnX3)4]4– (X = Cl, Br) with Acids: Syntheses and molecular structures of [Pt12(CO)10(SnCl)2(SnCl2)4{Cl2Sn(μ-OH)SnCl2}2]2– And [Pt7(CO)6(SnBr2)4{Br2Sn(μ-OH)SnBr2}{Br2Sn(μ-Br)SnBr2}]2– Platinum carbonyl clusters decorated by Sn(II)-Fragments","Inorganica Chimica Acta","2020","503","","119432","","10.1016/j.ica.2020.119432","","","0.71073","MoKα","","0.0543","0.0417","","","0.0951","0.0997","","","","","","1.074","","","","has coordinates","270824","2021-11-23","09:30:12",""
"1565351","22.1246","0.0016","13.9666","0.001","18.0304","0.0014","90","","110.363","0.002","90","","5223.3","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 Br6 O2 P2 Pt2 Sn -","- C50 H40 Br6 O2 P2 Pt2 Sn -","- C200 H160 Br24 O8 P8 Pt8 Sn4 -","4","1","","Berti, Beatrice; Bortoluzzi, Marco; Cesari, Cristiana; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Reactions of [Pt6(CO)6(SnX2)2(SnX3)4]4– (X = Cl, Br) with Acids: Syntheses and molecular structures of [Pt12(CO)10(SnCl)2(SnCl2)4{Cl2Sn(μ-OH)SnCl2}2]2– And [Pt7(CO)6(SnBr2)4{Br2Sn(μ-OH)SnBr2}{Br2Sn(μ-Br)SnBr2}]2– Platinum carbonyl clusters decorated by Sn(II)-Fragments","Inorganica Chimica Acta","2020","503","","119432","","10.1016/j.ica.2020.119432","","","0.71073","MoKα","","0.0546","0.043","","","0.1009","0.107","","","","","","1.058","","","","has coordinates","270824","2021-11-23","09:30:15",""
"1565352","23.799","0.004","18.965","0.003","18.185","0.003","90","","106.348","0.002","90","","7876","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H70 Co3 N18 O54 Ti4 -","- C24 H70 Co3 N18 O54 Ti4 -","- C96 H280 Co12 N72 O216 Ti16 -","4","0.5","","Engelberg, Nathan; Bino, Avi; Tshuva, Edit Y.","Preparation, structural characterization and cytotoxicity of hydrolytically stable Ti(IV) citrate complexes","Inorganica Chimica Acta","2020","503","","119429","","10.1016/j.ica.2020.119429","","","0.71073","MoKα","","0.0555","0.0512","","","0.1576","0.164","","","","","","1.041","","","","has coordinates","270825","2021-11-23","09:39:35",""
"1565353","20.476","0.001","20.476","0.001","20.476","0.001","90","","90","","90","","8584.9","0.7","294","1","294","1","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C18 H51 Na5 O39.5 Ti -","- C18 H51 Na5 O39.5 Ti -","- C144 H408 Na40 O316 Ti8 -","8","0.333333","","Engelberg, Nathan; Bino, Avi; Tshuva, Edit Y.","Preparation, structural characterization and cytotoxicity of hydrolytically stable Ti(IV) citrate complexes","Inorganica Chimica Acta","2020","503","","119429","","10.1016/j.ica.2020.119429","","","0.71073","MoKα","","0.0738","0.0733","","","0.1539","0.1542","","","","","","1.366","","","","has coordinates","270825","2021-11-23","09:39:39",""
"1565354","9.9638","0.0006","17.024","0.005","18.5358","0.0006","90","","94.962","0.003","90","","3132.3","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H20 Co2 O11 -","- C29 H20 Co2 O11 -","- C58 H40 Co4 O22 -","2","1","","Yu, Hongjun; Li, Heng; Zhang, Qiang; Shao, Yue; Wang, Yong-Ji","Porous Co-MOF for cyanosilylation reaction and protective effect in child bronchial pneumonia by reducing the inflammatory response and IL-12 production in immune cells","Inorganica Chimica Acta","2020","503","","119426","","10.1016/j.ica.2020.119426","","","0.71073","MoKα","","0.0966","0.0597","","","0.1409","0.1577","","","","","","0.967","","","","has coordinates","270826","2021-11-23","09:43:37",""
"1565355","11.061","0.005","11.877","0.005","12.695","0.005","111.17","0.02","90.31","0.02","90.25","0.02","1555.2","1.2","144","2","144.36","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H14 Cu F15 N4 O4 -","- C29 H14 Cu F15 N4 O4 -","- C58 H28 Cu2 F30 N8 O8 -","2","1","","Sidharth, Thulaseedharan Nair Sailaja; Nasani, Rajendar; Gupta, Arindam; Sooraj, Bhuvanachandran Nair Sreekala; Roy, Subhadip; Mondal, Arpan; Konar, Sanjit","Reversal of magnetic exchange coupling between copper(II) and Blatter radical depending on the coordination environment","Inorganica Chimica Acta","2020","503","","119395","","10.1016/j.ica.2019.119395","","","0.71073","MoKα","","0.0696","0.0419","","","0.0745","0.0826","","","","","","1.025","","","","has coordinates,has disorder","270827","2021-11-23","09:58:40",""
"1565356","8.4593","0.0006","28.734","0.002","16.6377","0.0012","90","","92.042","0.003","90","","4041.5","0.5","140","2","140","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H28 Cl2 Cu F6 N8 O9 -","- C39 H28 Cl2 Cu F6 N8 O9 -","- C156 H112 Cl8 Cu4 F24 N32 O36 -","4","1","","Sidharth, Thulaseedharan Nair Sailaja; Nasani, Rajendar; Gupta, Arindam; Sooraj, Bhuvanachandran Nair Sreekala; Roy, Subhadip; Mondal, Arpan; Konar, Sanjit","Reversal of magnetic exchange coupling between copper(II) and Blatter radical depending on the coordination environment","Inorganica Chimica Acta","2020","503","","119395","","10.1016/j.ica.2019.119395","","","0.71073","MoKα","","0.0936","0.0637","","","0.1437","0.1596","","","","","","1.056","","","","has coordinates,has disorder","270827","2021-11-23","09:58:43",""
"1565357","7.5503","0.0006","14.6538","0.0012","17.5447","0.0014","90","","90.498","0.004","90","","1941.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl F3 Ge N2 O5 S -","- C15 H16 Cl F3 Ge N2 O5 S -","- C60 H64 Cl4 F12 Ge4 N8 O20 S4 -","4","1","","Maurya, Devesh; Karmakar, Joy; Sahoo, Padmini; Raut, Ravindra K.; Majumdar, Moumita","Versatile binding modes of acyclic N2X2 (X = O, S and P) ligands towards [GeCl]+ and AuCl units","Inorganica Chimica Acta","2020","503","","119380","","10.1016/j.ica.2019.119380","","","1.54178","CuKα","","0.0682","0.0562","","","0.149","0.1579","","","","","","1.136","","","","has coordinates","270828","2021-11-23","10:05:09",""
"1565358","27.431","0.005","9.877","0.0016","15.399","0.003","90","","106.732","0.008","90","","3995.5","1.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 Cl F3 Ge N2 O3 S5 -","- C13 H14 Cl F3 Ge N2 O3 S5 -","- C104 H112 Cl8 F24 Ge8 N16 O24 S40 -","8","1","","Maurya, Devesh; Karmakar, Joy; Sahoo, Padmini; Raut, Ravindra K.; Majumdar, Moumita","Versatile binding modes of acyclic N2X2 (X = O, S and P) ligands towards [GeCl]+ and AuCl units","Inorganica Chimica Acta","2020","503","","119380","","10.1016/j.ica.2019.119380","","","1.54178","CuKα","","0.0985","0.0834","","","0.2334","0.2494","","","","","","1.015","","","","has coordinates","270829","2021-11-23","10:06:25",""
"1565359","9.1114","0.0015","12.41","0.002","17.681","0.003","87.173","0.004","83.722","0.005","80.784","0.004","1960.6","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H42 Au Cl N2 O P2 -","- C44 H42 Au Cl N2 O P2 -","- C88 H84 Au2 Cl2 N4 O2 P4 -","2","1","","Maurya, Devesh; Karmakar, Joy; Sahoo, Padmini; Raut, Ravindra K.; Majumdar, Moumita","Versatile binding modes of acyclic N2X2 (X = O, S and P) ligands towards [GeCl]+ and AuCl units","Inorganica Chimica Acta","2020","503","","119380","","10.1016/j.ica.2019.119380","","","0.71073","MoKα","","0.0364","0.029","","","0.0618","0.0651","","","","","","0.905","","","","has coordinates","270830","2021-11-23","10:07:57",""
"1565360","14.874","0.003","33.097","0.007","9.015","0.0018","90","","90","","90","","4437.9","1.6","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C48 H50 Au2 Cl2 N2 O2 P2 -","- C40 H34 Au2 Cl2 N2 P2 -","- C160 H136 Au8 Cl8 N8 P8 -","4","1","","Maurya, Devesh; Karmakar, Joy; Sahoo, Padmini; Raut, Ravindra K.; Majumdar, Moumita","Versatile binding modes of acyclic N2X2 (X = O, S and P) ligands towards [GeCl]+ and AuCl units","Inorganica Chimica Acta","2020","503","","119380","","10.1016/j.ica.2019.119380","","","1.54178","CuKα","","0.0311","0.0307","","","0.0803","0.0813","","","","","","0.967","","","","has coordinates","270831","2021-11-23","10:08:54",""
"1565361","15.8268","0.0006","15.872","0.0006","15.2418","0.0005","90","","118.762","0.002","90","","3356.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cl N2 O7 Re -","- C38 H32 Cl N2 O7 Re -","- C152 H128 Cl4 N8 O28 Re4 -","4","1","","Roell, Sarah A.; Schrage, Briana R.; Ziegler, Christopher J.; White, Travis A.","Isolating substituent effects in Re(I)-phenanthroline electrocatalysts for CO2 reduction","Inorganica Chimica Acta","2020","503","","119397","","10.1016/j.ica.2019.119397","","","0.71073","MoKα","","0.0732","0.0442","","","0.0714","0.0869","","","","","","1.013","","","","has coordinates","270832","2021-11-23","10:12:15",""
"1565362","8.047","0.004","19.209","0.009","20.079","0.009","90","","99.711","0.009","90","","3059","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 Cl N3 O7 Re -","- C33 H27 Cl N3 O7 Re -","- C132 H108 Cl4 N12 O28 Re4 -","4","1","","Roell, Sarah A.; Schrage, Briana R.; Ziegler, Christopher J.; White, Travis A.","Isolating substituent effects in Re(I)-phenanthroline electrocatalysts for CO2 reduction","Inorganica Chimica Acta","2020","503","","119397","","10.1016/j.ica.2019.119397","","","0.71073","MoKα","","0.0349","0.0265","","","0.0546","0.0578","","","","","","1.048","","","","has coordinates","270833","2021-11-23","10:13:13",""
"1565363","18.434","0.016","15.399","0.013","21.478","0.018","90","","96.91","0.03","90","","6053","9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H73 Cl2 Cu4 N9 O21 -","- C49 H69 Cl2 Cu4 N9 O21 -","- C196 H276 Cl8 Cu16 N36 O84 -","4","1","","Basak, Dipmalya; Ray, Debashis","Metal ion substitution and aldehyde exchange for CuII4 aggregates from two types of piperazine-based Schiff base ligands: Synthesis, X-ray structures, magnetic studies and theoretical validation","Inorganica Chimica Acta","2020","503","","119439","","10.1016/j.ica.2020.119439","","","0.71073","MoKα","","0.1486","0.091","","","0.2714","0.3259","","","","","","1.129","","","","has coordinates,has disorder","270834","2021-11-23","10:20:02",""
"1565364","19.428","0.004","15.988","0.004","19.713","0.004","90","","100.409","0.007","90","","6022","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H75 Cl2 Cu4 N9 O22 -","- C51 H73 Cl2 Cu4 N9 O22 -","- C204 H292 Cl8 Cu16 N36 O88 -","4","1","","Basak, Dipmalya; Ray, Debashis","Metal ion substitution and aldehyde exchange for CuII4 aggregates from two types of piperazine-based Schiff base ligands: Synthesis, X-ray structures, magnetic studies and theoretical validation","Inorganica Chimica Acta","2020","503","","119439","","10.1016/j.ica.2020.119439","","","0.71073","MoKα","","0.1787","0.0873","","","0.217","0.2794","","","","","","1.019","","","","has coordinates,has disorder","270834","2021-11-23","10:20:03",""
"1565365","43.2037","0.0008","12.3001","0.0002","29.4907","0.0005","90","","101.214","0.002","90","","15372.4","0.5","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- H0 K15.3 N0 Nb10 O160.9 P4 W26 -","- K15.3 Nb10 O160.9 P4 W26 -","- K61.2 Nb40 O643.6 P16 W104 -","4","0.5","","Shmakova, Alexandra A.; Sukhikh, Taisiya S.; Volchek, Victoria V.; Yanshole, Vadim; Stass, Dmitri V.; Filatov, Eugeniy Yu.; Glebov, Eugeniy M.; Abramov, Pavel A.; Sokolov, Maxim N.","Niobium uptake by {P2W12} polyoxoanion with [NbO(C2O4)2(H2O)2]− as Nb source","Inorganica Chimica Acta","2020","502","","119319","","10.1016/j.ica.2019.119319","","","0.71073","MoKα","","0.0619","0.0415","","","0.0998","0.112","","","","","","1.034","","","","has coordinates","270835","2021-11-23","10:39:48",""
"1565366","13.5004","0.0003","23.0057","0.0008","27.1162","0.0008","100.927","0.003","96.488","0.002","105.419","0.002","7851.9","0.4","130","2","130","2","","","","","","","","8","P -1","-P 1","2","","","","- C14 H42 K0.5 N6.8 Nb6 O138.4 P4 W30 -","- C14 H42 K0.5 N6.8 Nb6 O138.4 P4 W30 -","- C28 H84 K N13.6 Nb12 O276.8 P8 W60 -","2","1","","Shmakova, Alexandra A.; Sukhikh, Taisiya S.; Volchek, Victoria V.; Yanshole, Vadim; Stass, Dmitri V.; Filatov, Eugeniy Yu.; Glebov, Eugeniy M.; Abramov, Pavel A.; Sokolov, Maxim N.","Niobium uptake by {P2W12} polyoxoanion with [NbO(C2O4)2(H2O)2]− as Nb source","Inorganica Chimica Acta","2020","502","","119319","","10.1016/j.ica.2019.119319","","","0.71073","MoKα","","0.1504","0.0789","","","0.1956","0.2235","","","","","","1.085","","","","has coordinates,has disorder","270835","2021-11-23","10:39:50",""
"1565367","19.5879","0.0012","21.9143","0.0013","18.3017","0.0011","90","","90","","90","","7856.1","0.8","150","2","150","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C16 N8 Nb6.4 O144.78 P4 W29.6 -","- C16 N8 Nb6.4 O144.78 P4 W29.6 -","- C32 N16 Nb12.8 O289.56 P8 W59.2 -","2","0.25","","Shmakova, Alexandra A.; Sukhikh, Taisiya S.; Volchek, Victoria V.; Yanshole, Vadim; Stass, Dmitri V.; Filatov, Eugeniy Yu.; Glebov, Eugeniy M.; Abramov, Pavel A.; Sokolov, Maxim N.","Niobium uptake by {P2W12} polyoxoanion with [NbO(C2O4)2(H2O)2]− as Nb source","Inorganica Chimica Acta","2020","502","","119319","","10.1016/j.ica.2019.119319","","","0.71073","MoKα","","0.048","0.034","","","0.08","0.0904","","","","","","1.101","","","","has coordinates","270835","2021-11-23","10:39:50",""
"1565387","12.695","0.004","14.854","0.004","21.447","0.003","90","","102.49","0.02","90","","3948.6","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H114 Mn2 N4 O10 -","- C82 H114 Mn2 N4 O10 -","- C164 H228 Mn4 N8 O20 -","2","0.5","","Zolotukhin, Alexey A.; Bubnov, Michael P.; Bogomyakov, Artem S.; Cherkasov, Anton V.; Fukin, Georgy; Cherkasov, Vladimir K.","Binuclear iminopyridine-bridged 3d late transition metal complexes with o-semiquinones","Inorganica Chimica Acta","2020","502","","119346","","10.1016/j.ica.2019.119346","","","0.71073","MoKα","","0.1409","0.0721","","","0.1042","0.1244","","","","","","1","","","","has coordinates","270850","2021-11-24","09:12:29",""
"1565388","10.1147","0.0004","13.3341","0.0006","17.7612","0.0005","89.399","0.003","80.523","0.003","74.561","0.004","2276.1","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H126 Co2 N4 O8 -","- C102 H126 Co2 N4 O8 -","- C102 H126 Co2 N4 O8 -","1","0.5","","Zolotukhin, Alexey A.; Bubnov, Michael P.; Bogomyakov, Artem S.; Cherkasov, Anton V.; Fukin, Georgy; Cherkasov, Vladimir K.","Binuclear iminopyridine-bridged 3d late transition metal complexes with o-semiquinones","Inorganica Chimica Acta","2020","502","","119346","","10.1016/j.ica.2019.119346","","","0.71073","MoKα","","0.1022","0.065","","","0.1601","0.187","","","","","","1.04","","","","has coordinates,has disorder","270851","2021-11-24","09:14:12",""
"1565389","7.082","0.006","12.394","0.01","13.144","0.01","107.93","0.02","101.94","0.02","93.81","0.02","1063.4","1.5","302","2","302","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H15 Br3 N4 Ni O S -","- C18 H15 Br3 N4.04 Ni O S -","- C36 H30 Br6 N8.08 Ni2 O2 S2 -","2","1","","Şahin, Musa; Eğlence-Bakır, Songül; Alpay, Merve; Alpay, Selin; Özmerdivenli, Recep; Ülküseven, Bahri","Effective copper(II) and nickel(II) complexes with N3O and ON3 thiosemicarbazidato ligands. Synthesis, structural analysis and in vitro cytotoxity on melanoma B16F10 cells","Inorganica Chimica Acta","2020","502","","119347","","10.1016/j.ica.2019.119347","","","0.71073","MoKα","","0.3234","0.1265","","","0.2879","0.3827","","","","","","0.971","","","","has coordinates","270852","2021-11-24","09:39:51",""
"1565390","18.8339","0.0003","8.7397","0.0001","25.4167","0.0003","90","","90","","90","","4183.66","0.1","293.1","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Br2 Cu N4 O2 S -","- C19 H18 Br2 Cu N4 O2 S -","- C152 H144 Br16 Cu8 N32 O16 S8 -","8","1","","Şahin, Musa; Eğlence-Bakır, Songül; Alpay, Merve; Alpay, Selin; Özmerdivenli, Recep; Ülküseven, Bahri","Effective copper(II) and nickel(II) complexes with N3O and ON3 thiosemicarbazidato ligands. Synthesis, structural analysis and in vitro cytotoxity on melanoma B16F10 cells","Inorganica Chimica Acta","2020","502","","119347","","10.1016/j.ica.2019.119347","","","0.7107","MoKα","","","0.112","","","","0.098","","","","","","0.83","","","","has coordinates","270853","2021-11-24","09:41:57",""
"1565391","51.152","0.006","8.1787","0.0009","11.5466","0.0013","90","","95.673","0.001","90","","4806.9","0.9","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N6 O4 Pb -","- C26 H20 N6 O4 Pb -","- C208 H160 N48 O32 Pb8 -","8","2","","Akbari Afkhami, Farhad; Mahmoudi, Ghodrat; Qu, Fengrui; Gupta, Arunava; Zangrando, Ennio; Frontera, Antonio; Safin, Damir A.","Supramolecular architecture constructed from the hemidirected lead(II) complex with N'-(4-hydroxybenzylidene)isonicotinohydrazide","Inorganica Chimica Acta","2020","502","","119350","","10.1016/j.ica.2019.119350","","","0.71073","MoKα","","0.0415","0.0331","","","0.0591","0.0613","","","","","","1.233","","","","has coordinates","270854","2021-11-24","09:46:49",""
"1565392","6.698","0.003","9.659","0.004","13.379","0.006","110.387","0.006","95.185","0.006","92.835","0.007","805","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C40 H30 N6 O4 -","2","1","","Nwachukwu, Chideraa I.; Bosch, Eric","Synthesis of 4-[(2-imidazylethynyl)]-5-(2-pyridylethynyl)veratrole and characterization of the coordination complexes with silver(I) and palladium(II)","Inorganica Chimica Acta","2020","502","","119328","","10.1016/j.ica.2019.119328","","","0.71073","MoKα","","0.1278","0.0648","","","0.1648","0.2067","","","","","","0.994","","","","has coordinates","270855","2021-11-24","09:52:29",""
"1565393","11.142","0.0007","27.3615","0.0017","7.4271","0.0005","90","","95.878","0.001","90","","2252.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cl2 N3 O2 Pd -","- C20 H15 Cl2 N3 O2 Pd -","- C80 H60 Cl8 N12 O8 Pd4 -","4","1","","Nwachukwu, Chideraa I.; Bosch, Eric","Synthesis of 4-[(2-imidazylethynyl)]-5-(2-pyridylethynyl)veratrole and characterization of the coordination complexes with silver(I) and palladium(II)","Inorganica Chimica Acta","2020","502","","119328","","10.1016/j.ica.2019.119328","","","0.71073","MoKα","","0.0503","0.0446","","","0.0996","0.102","","","","","","1.146","","","","has coordinates","270855","2021-11-24","09:52:29",""
"1565394","53.94","0.02","6.826","0.003","24.457","0.009","90","","93.972","0.004","90","","8983","6","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C20 H15 Ag F3 N3 O2 S -","- C20.5 H15 Ag F1.5 N3 O3.5 S0.5 -","- C328 H240 Ag16 F24 N48 O56 S8 -","16","4","","Nwachukwu, Chideraa I.; Bosch, Eric","Synthesis of 4-[(2-imidazylethynyl)]-5-(2-pyridylethynyl)veratrole and characterization of the coordination complexes with silver(I) and palladium(II)","Inorganica Chimica Acta","2020","502","","119328","","10.1016/j.ica.2019.119328","","","0.71073","MoKα","","0.181","0.1159","","","0.2903","0.3346","","","","","","1.044","","","","has coordinates","270855","2021-11-24","09:52:29",""
"1565395","14.443","0.005","27.216","0.002","24.311","0.008","90","","108.8","0.03","90","","9046","5","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H68 Cu4 N8 O20 -","- C100 H68 Cu4 N8 O20 -","- C400 H272 Cu16 N32 O80 -","4","1","","Dong, Mengwei; Lu, Lu; Tan, Xueyan; An, Baichao; Singh, Ayushi; Alowais, Ahmad; Alarifi, Abdullah; Kumar, Abhinav; Muddassir, Mohd.","Syntheses and photocatalytic properties of two new d10- and d9-based 2D coordination polymers","Inorganica Chimica Acta","2020","502","","119334","","10.1016/j.ica.2019.119334","","","0.71073","MoKα","","0.1082","0.0622","","","0.1572","0.1931","","","","","","1.038","","","","has coordinates,has disorder","270856","2021-11-24","10:00:25",""
"1565396","32.984","0.006","11.556","0.002","15.213","0.003","90","","90","","90","","5798.6","1.9","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C25 H23 N4 O5 Zn -","- C25 H23 N4 O5 Zn -","- C200 H184 N32 O40 Zn8 -","8","1","","Dong, Mengwei; Lu, Lu; Tan, Xueyan; An, Baichao; Singh, Ayushi; Alowais, Ahmad; Alarifi, Abdullah; Kumar, Abhinav; Muddassir, Mohd.","Syntheses and photocatalytic properties of two new d10- and d9-based 2D coordination polymers","Inorganica Chimica Acta","2020","502","","119334","","10.1016/j.ica.2019.119334","","","0.71073","MoKα","","0.1219","0.0583","","","0.1335","0.144","","","","","","1.016","","","","has coordinates","270856","2021-11-24","10:00:31",""
"1565397","6.0165","0.0004","12.7136","0.0007","10.4535","0.0007","90","","106.671","0.007","90","","765.99","0.09","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Br2 Cl2 Cu N2 -","- C12 H12 Br2 Cl2 Cu N2 -","- C24 H24 Br4 Cl4 Cu2 N4 -","2","0.5","","Adonin, Sergey A.; Novikov, Alexander S.; Chernova, Katerina V.; Vinnik, Denis A.; Taskaev, Sergey V.; Korolkov, Ilya V.; Ilyina, Ekaterina V.; Pavlov, Alexander A.; Novikov, Valentin V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Heteroleptic copper(II) complexes with 2-bromo-5-methylpyridine: Structures, features of non-covalent interactions and magnetic behavior","Inorganica Chimica Acta","2020","502","","119333","","10.1016/j.ica.2019.119333","","","0.71073","MoKα","","0.033","0.0267","","","0.0558","0.0585","","","","","","1.042","","","","has coordinates","270857","2021-11-24","10:20:26",""
"1565398","6.1145","0.0004","12.9037","0.0007","10.6274","0.0008","90","","106.482","0.008","90","","804.04","0.1","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br4 Cu N2 -","- C12 H12 Br4 Cu N2 -","- C24 H24 Br8 Cu2 N4 -","2","0.5","","Adonin, Sergey A.; Novikov, Alexander S.; Chernova, Katerina V.; Vinnik, Denis A.; Taskaev, Sergey V.; Korolkov, Ilya V.; Ilyina, Ekaterina V.; Pavlov, Alexander A.; Novikov, Valentin V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Heteroleptic copper(II) complexes with 2-bromo-5-methylpyridine: Structures, features of non-covalent interactions and magnetic behavior","Inorganica Chimica Acta","2020","502","","119333","","10.1016/j.ica.2019.119333","","","0.71073","MoKα","","0.0244","0.0201","","","0.0468","0.0488","","","","","","1.064","","","","has coordinates","270857","2021-11-24","10:20:31",""
"1565411","9.2039","0.0013","11.6656","0.0015","11.9723","0.0016","93.077","0.01","97.624","0.01","105.547","0.009","1222.1","0.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H24 B Br2 F2 N5 O -","- C23 H24 B Br2 F2 N5 O -","- C46 H48 B2 Br4 F4 N10 O2 -","2","1","","Şenkuytu, Elif; Okutan, Elif; Tanrıverdi Eçik, Esra","Cyclotriphosphazene-BODIPY Dyads: Synthesis, halogen atom effect on the photophysical and singlet oxygen generation properties","Inorganica Chimica Acta","2020","502","","119342","","10.1016/j.ica.2019.119342","","","0.71073","MoKα","","0.1048","0.0556","","","0.1186","0.1406","","","","","","1.026","","","","has coordinates","270903","2021-11-29","09:00:56",""
"1565412","7.0168","0.0005","21.0977","0.0014","17.3103","0.0014","90","","92.35","0.005","90","","2560.4","0.3","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 B F2 I2 N5 O -","- C23 H24 B F2 I2 N5 O -","- C92 H96 B4 F8 I8 N20 O4 -","4","1","","Şenkuytu, Elif; Okutan, Elif; Tanrıverdi Eçik, Esra","Cyclotriphosphazene-BODIPY Dyads: Synthesis, halogen atom effect on the photophysical and singlet oxygen generation properties","Inorganica Chimica Acta","2020","502","","119342","","10.1016/j.ica.2019.119342","","","0.71073","MoKα","","0.0969","0.0695","","","0.1873","0.2142","","","","","","1.046","","","","has coordinates","270903","2021-11-29","09:01:00",""
"1565413","11.3536","0.0003","12.1823","0.0003","14.2259","0.0004","94.986","0.002","103.496","0.002","101.309","0.002","1857.89","0.09","290.8","0.3","290.8","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C36 H27 Dy2 N6 O16 -","- C36 H26 Dy2 N6 O16 -","- C72 H52 Dy4 N12 O32 -","2","1","","Li, Rong-fang; Zhang, Ya-wen; Liu, Xin-fang; Chang, Xin-hong; Feng, Xun","The synthesis, structural elucidation and fluorescent sensitization detection to Hg2+ based on two lanthanide-organic complexes","Inorganica Chimica Acta","2020","502","","119370","","10.1016/j.ica.2019.119370","","x-ray","0.71073","MoKα","","0.0475","0.0346","","","0.0675","0.0722","","","","","","1.021","","","","has coordinates","270904","2021-11-29","09:06:12",""
"1565414","11.3664","0.0004","12.1986","0.0004","14.2543","0.0005","95.074","0.003","103.481","0.003","101.049","0.003","1867.9","0.12","293.2","0.3","293.2","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N6 O16 Tb2 -","- C36 H26 N6 O16 Tb2 -","- C72 H52 N12 O32 Tb4 -","2","1","","Li, Rong-fang; Zhang, Ya-wen; Liu, Xin-fang; Chang, Xin-hong; Feng, Xun","The synthesis, structural elucidation and fluorescent sensitization detection to Hg2+ based on two lanthanide-organic complexes","Inorganica Chimica Acta","2020","502","","119370","","10.1016/j.ica.2019.119370","","x-ray","0.71073","MoKα","","0.0337","0.0277","","","0.0556","0.0582","","","","","","1.028","","","","has coordinates","270905","2021-11-29","09:07:40",""
"1565415","7.85","0.004","9.393","0.005","10.296","0.005","93.987","0.009","105.094","0.008","113.695","0.014","658","0.6","100","2","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 Ag2 F6 N4 O6 -","- C28 H16 Ag2 F6 N4 O6 -","- C28 H16 Ag2 F6 N4 O6 -","1","0.5","","Đurić, Sonja Ž.; Mojicevic, Marija; Vojnovic, Sandra; Wadepohl, Hubert; Andrejević, Tina P.; Stevanović, Nevena Lj.; Nikodinovic-Runic, Jasmina; Djuran, Miloš I.; Glišić, Biljana Đ.","Silver(I) complexes with 1,10-phenanthroline-based ligands: The influence of epoxide function on the complex structure and biological activity","Inorganica Chimica Acta","2020","502","","119357","","10.1016/j.ica.2019.119357","","x-ray","0.71073","MoKα","K-L~2,3~","0.0263","0.0224","","","0.0547","0.0567","","","","","","1.071","","","","has coordinates,has disorder","270906","2021-11-29","09:28:57",""
"1565416","17.3139","0.0011","15.705","0.0006","25.6489","0.0014","90","","116.204","0.004","90","","6257.5","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H66 N8 O5 P2 Ru S3 -","- C62 H66 N8 O5 P2 Ru S3 -","- C248 H264 N32 O20 P8 Ru4 S12 -","4","1","","Bal-Demirci, Tülay; Güveli, Şükriye; Yeşilyurt, Saffet; Özdemir, Namık; Ülküseven, Bahri","Thiosemicarbazone ligand, nickel(II) and ruthenium(II) complexes based on vitamin B6 vitamer: The synthesis, different coordination behaviors and antioxidant activities","Inorganica Chimica Acta","2020","502","","119335","","10.1016/j.ica.2019.119335","","","0.71073","MoKα","","0.1472","0.088","","","0.2069","0.2379","","","","","","1.081","","","","has coordinates,has disorder","270907","2021-11-29","09:35:59",""
"1565417","10.6911","0.0006","11.9258","0.0007","13.3857","0.0008","67.345","0.004","74.426","0.005","84.278","0.005","1517.15","0.16","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H32 Cl N4 Ni O3 P S -","- C30 H32 Cl N4 Ni O3 P S -","- C60 H64 Cl2 N8 Ni2 O6 P2 S2 -","2","1","","Bal-Demirci, Tülay; Güveli, Şükriye; Yeşilyurt, Saffet; Özdemir, Namık; Ülküseven, Bahri","Thiosemicarbazone ligand, nickel(II) and ruthenium(II) complexes based on vitamin B6 vitamer: The synthesis, different coordination behaviors and antioxidant activities","Inorganica Chimica Acta","2020","502","","119335","","10.1016/j.ica.2019.119335","","","0.71073","MoKα","","0.0456","0.0345","","","0.094","0.0982","","","","","","1.048","","","","has coordinates","270907","2021-11-29","09:36:02",""
"1565418","5.7232","0.0011","23.191","0.005","13.045","0.003","90","","102.583","0.007","90","","1689.8","0.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Fe N3 O -","- C20 H19 Fe N3 O -","- C80 H76 Fe4 N12 O4 -","4","1","","Cheng, Wenqian; Shi, Xiaoling; Zhang, Yu; Jian, Yajun; Zhang, Guofang","Novel ferrocene-based 1,2,3-triazolyl compounds: Synthesis, anti-migration properties and catalytic effects on oxidizers during combustion","Inorganica Chimica Acta","2020","502","","119374","","10.1016/j.ica.2019.119374","","","0.71073","MoKα","","0.0372","0.0304","","","0.0702","0.0725","","","","","","1.046","","","","has coordinates","270908","2021-11-29","09:41:32",""
"1565419","21.858","0.004","7.8241","0.0014","10.398","0.002","90","","94.015","0.007","90","","1773.9","0.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Fe N4 O3 -","- C20 H18 Fe N4 O3 -","- C80 H72 Fe4 N16 O12 -","4","1","","Cheng, Wenqian; Shi, Xiaoling; Zhang, Yu; Jian, Yajun; Zhang, Guofang","Novel ferrocene-based 1,2,3-triazolyl compounds: Synthesis, anti-migration properties and catalytic effects on oxidizers during combustion","Inorganica Chimica Acta","2020","502","","119374","","10.1016/j.ica.2019.119374","","","0.71073","MoKα","","0.033","0.0295","","","0.0734","0.0755","","","","","","1.072","","","","has coordinates","270909","2021-11-29","09:43:55",""
"1565420","5.5889","0.0014","31.929","0.009","10.698","0.004","90","","90.976","0.01","90","","1908.8","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Fe N4 O4 -","- C21 H18 Fe N4 O4 -","- C84 H72 Fe4 N16 O16 -","4","1","","Cheng, Wenqian; Shi, Xiaoling; Zhang, Yu; Jian, Yajun; Zhang, Guofang","Novel ferrocene-based 1,2,3-triazolyl compounds: Synthesis, anti-migration properties and catalytic effects on oxidizers during combustion","Inorganica Chimica Acta","2020","502","","119374","","10.1016/j.ica.2019.119374","","","1.54178","CuKα","","0.2407","0.1514","","","0.3704","0.4328","","","","","","1.799","","","","has coordinates","270910","2021-11-29","09:45:02",""
"1565421","12.137","0.003","12.766","0.002","13.384","0.003","98.257","0.007","114.876","0.007","104.537","0.007","1746.2","0.7","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H34 Cl2 Fe2 N6 O4 -","- C37 H34 Cl2 Fe2 N6 O4 -","- C74 H68 Cl4 Fe4 N12 O8 -","2","1","","Cheng, Wenqian; Shi, Xiaoling; Zhang, Yu; Jian, Yajun; Zhang, Guofang","Novel ferrocene-based 1,2,3-triazolyl compounds: Synthesis, anti-migration properties and catalytic effects on oxidizers during combustion","Inorganica Chimica Acta","2020","502","","119374","","10.1016/j.ica.2019.119374","","","0.71073","MoKα","","0.0606","0.056","","","0.1512","0.156","","","","","","1.028","","","","has coordinates,has disorder","270911","2021-11-29","09:46:11",""
"1565434","19.145","0.001","19.145","0.001","12.039","0.001","90","","90","","120","","3821.5","0.4","298","2","298","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C30 H27 Bi Fe3 -","- C30 H27 Bi Fe3 -","- C180 H162 Bi6 Fe18 -","6","0.333333","","Villamizar C., Claudia P.; Anzaldo, Bertin; Sharma, Pankaj; Gutiérrez Pérez, Rene; del Río-Portilla, Federico; Toscano, Alfredo R.","Chiral Ferrocenyl-Bismuthines containing N/O donor pendant arm: Syntheses and molecular structures","Inorganica Chimica Acta","2020","502","","119353","","10.1016/j.ica.2019.119353","","","0.71073","MoKα","","0.032","0.0274","","","0.0611","0.0626","","","","","","0.97","","","","has coordinates","270927","2021-11-30","09:01:31",""
"1565435","8.8561","0.0004","11.069","0.0004","19.8591","0.0009","90","","90","","90","","1946.75","0.14","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Bi Cl Fe N -","- C20 H23 Bi Cl Fe N -","- C80 H92 Bi4 Cl4 Fe4 N4 -","4","1","","Villamizar C., Claudia P.; Anzaldo, Bertin; Sharma, Pankaj; Gutiérrez Pérez, Rene; del Río-Portilla, Federico; Toscano, Alfredo R.","Chiral Ferrocenyl-Bismuthines containing N/O donor pendant arm: Syntheses and molecular structures","Inorganica Chimica Acta","2020","502","","119353","","10.1016/j.ica.2019.119353","","","0.71073","MoKα","","0.1112","0.0657","","","0.1598","0.1829","","","","","","1.043","","","","has coordinates","270928","2021-11-30","09:03:07",""
"1565436","22.8529","0.0009","8.5824","0.0003","13.2762","0.0005","90","","104.604","0.001","90","","2519.77","0.16","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 Bi Fe O2 -","- C30 H25 Bi Fe O2 -","- C120 H100 Bi4 Fe4 O8 -","4","1","","Villamizar C., Claudia P.; Anzaldo, Bertin; Sharma, Pankaj; Gutiérrez Pérez, Rene; del Río-Portilla, Federico; Toscano, Alfredo R.","Chiral Ferrocenyl-Bismuthines containing N/O donor pendant arm: Syntheses and molecular structures","Inorganica Chimica Acta","2020","502","","119353","","10.1016/j.ica.2019.119353","","","0.71073","MoKα","","0.0834","0.0398","","","0.0603","0.0714","","","","","","1.025","","","","has coordinates","270929","2021-11-30","09:04:30",""
"1565437","23.0691","0.0007","8.5999","0.0002","13.9287","0.0004","90","","107.263","0.001","90","","2638.86","0.13","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 Bi Fe N0 O2 -","- C31 H27 Bi Fe O2 -","- C124 H108 Bi4 Fe4 O8 -","4","1","","Villamizar C., Claudia P.; Anzaldo, Bertin; Sharma, Pankaj; Gutiérrez Pérez, Rene; del Río-Portilla, Federico; Toscano, Alfredo R.","Chiral Ferrocenyl-Bismuthines containing N/O donor pendant arm: Syntheses and molecular structures","Inorganica Chimica Acta","2020","502","","119353","","10.1016/j.ica.2019.119353","","","0.71073","MoKα","","0.0498","0.0308","","","0.0532","0.0597","","","","","","1.097","","","","has coordinates","270930","2021-11-30","09:11:56",""
"1565438","9.786","0.002","11.839","0.003","13.113","0.003","72.011","0.005","72.764","0.009","69.886","0.006","1325.7","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 Bi Cl4 Fe N2 -","- C23 H27 Bi Cl4 Fe N2 -","- C46 H54 Bi2 Cl8 Fe2 N4 -","2","1","","Villamizar C., Claudia P.; Anzaldo, Bertin; Sharma, Pankaj; Gutiérrez Pérez, Rene; del Río-Portilla, Federico; Toscano, Alfredo R.","Chiral Ferrocenyl-Bismuthines containing N/O donor pendant arm: Syntheses and molecular structures","Inorganica Chimica Acta","2020","502","","119353","","10.1016/j.ica.2019.119353","","","0.71073","MoKα","","0.0411","0.0364","","","0.0923","0.0958","","","","","","1.075","","","","has coordinates,has disorder","270931","2021-11-30","09:19:20",""
"1565439","8.298","0.0013","10.1552","0.0015","11.4067","0.0015","100.511","0.004","91.254","0.004","92.187","0.005","944","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H20.4 Bi Cl Fe N O0.3 -","- C19 H20.386 Bi Cl Fe N O0.307 -","- C38 H40.772 Bi2 Cl2 Fe2 N2 O0.614 -","2","1","","Villamizar C., Claudia P.; Anzaldo, Bertin; Sharma, Pankaj; Gutiérrez Pérez, Rene; del Río-Portilla, Federico; Toscano, Alfredo R.","Chiral Ferrocenyl-Bismuthines containing N/O donor pendant arm: Syntheses and molecular structures","Inorganica Chimica Acta","2020","502","","119353","","10.1016/j.ica.2019.119353","","","0.71073","MoKα","","0.0487","0.0338","","","0.068","0.0738","","","","","","1.068","","","","has coordinates,has disorder","270932","2021-11-30","09:30:48",""
"1565440","12.1766","0.0003","27.7685","0.0006","4.2881","0.0001","90","","90","","90","","1449.92","0.06","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H14 Cl2 N4 Pd -","- C14 H14 Cl2 N4 Pd -","- C56 H56 Cl8 N16 Pd4 -","4","0.5","","Repina, Olga V.; Novikov, Alexander S.; Khoroshilova, Olesya V.; Kritchenkov, Andreii S.; Vasin, Alexander A.; Tskhovrebov, Alexander G.","Lasagna-like supramolecular polymers derived from the PdII osazone complexes via C(sp2)–H⋯Hal hydrogen bonding","Inorganica Chimica Acta","2020","502","","119378","","10.1016/j.ica.2019.119378","","x-ray","1.54184","CuKα","","0.047","0.0453","","","0.1274","0.1294","","","","","","1.095","","","","has coordinates","270933","2021-11-30","09:36:00",""
"1565441","12.2756","0.0019","14.275","0.002","16.108","0.003","90","","105.381","0.0016","90","","2721.6","0.8","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Cu N4 O9 S2 -","- C24 H32 Cu N4 O9 S2 -","- C96 H128 Cu4 N16 O36 S8 -","4","1","","Saga, Makoto; Sakane, Genta; Yamazaki, Shigeo; Saito, Keiitsu","Fluorescent ligand design for mononuclear copper(I) complex fluorescence in aqueous solution","Inorganica Chimica Acta","2020","502","","119368","","10.1016/j.ica.2019.119368","","","0.71075","MoKα","","0.0295","0.0281","","","0.0793","0.0804","","","","","","1.097","","","","has coordinates","270934","2021-11-30","09:45:28",""
"1565442","9.93854","0.00009","51.3735","0.0005","17.6187","0.0002","90","","91.8736","0.0009","90","","8990.9","0.16","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ru(MeCN)2(L)](CF3SO3)2","(N,N'-Bis(2-pyridylmethyl)-o-phenylenediamine)-bis(acetonitrile)- ruthenium(II) bis(triflate)","","- C24 H24 F6 N6 O6 Ru S2 -","- C24 H24 F6 N6 O6 Ru S2 -","- C288 H288 F72 N72 O72 Ru12 S24 -","12","3","","Stones, Maryanne K.; Sullivan, Ryan J.; Soldatov, Dmitriy V.; Schlaf, Marcel","Synthesis and characterization of novel tetradentate ruthenium complexes of a pyridine-o-phenylenediamine based chelate ligand","Inorganica Chimica Acta","2020","502","","119391","","10.1016/j.ica.2019.119391","","","0.71073","MoKα","","0.0758","0.0719","","","0.129","0.1302","","","","","","1.37","","","","has coordinates,has disorder","270935","2021-11-30","09:53:32",""
"1565443","10.42053","0.00011","15.64518","0.00014","23.5928","0.0003","90","","98.1828","0.001","90","","3807.2","0.07","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ru(PhCN)2(L)](CF3SO3)2*0.5(H2O)","(N,N'-Bis(2-pyridylmethyl)-o-phenylenediamine)-bis(benzonitrile)- ruthenium(II) bis(triflate) hemihydrate","","- C34 H29 F6 N6 O6.5 Ru S2 -","- C34 H28.996 F6 N6 O6.498 Ru S2 -","- C136 H115.984 F24 N24 O25.992 Ru4 S8 -","4","1","","Stones, Maryanne K.; Sullivan, Ryan J.; Soldatov, Dmitriy V.; Schlaf, Marcel","Synthesis and characterization of novel tetradentate ruthenium complexes of a pyridine-o-phenylenediamine based chelate ligand","Inorganica Chimica Acta","2020","502","","119391","","10.1016/j.ica.2019.119391","","","0.71073","MoKα","","0.0647","0.0514","","","0.1201","0.1264","","","","","","1.17","","","","has coordinates,has disorder","270935","2021-11-30","09:53:35",""
"1565444","11.1997","0.0013","11.2438","0.0014","36.788","0.005","90","","90","","90","","4632.6","1","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C80 H130 Cu4 N16 O25 -","- C80 H130 Cu4 N16 O25 -","- C160 H260 Cu8 N32 O50 -","2","0.5","","Zhao, Fang-Hua; Li, Zhong-Lin; He, Yuan-Chun; Zhang, Mei; Han, Jun; Fan, Sheng-Qing; Li, Yu-Shuo; You, Jin-Mao","Syntheses, structures and magnetism of two Cu(II) coordination polymers of d-camphorate controlled by metal-ligand ratio","Inorganica Chimica Acta","2020","502","","119387","","10.1016/j.ica.2019.119387","","","0.71073","MoKα","","0.1003","0.0655","","","0.1595","0.1742","","","","","","1.052","","","","has coordinates,has disorder","270936","2021-11-30","09:57:28",""
"1565445","20.562","0.017","12.45","0.009","13.909","0.012","90","","118.685","0.011","90","","3124","4","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H39 Cu2 N4 O8 -","- C30 H39 Cu2 N4 O8 -","- C120 H156 Cu8 N16 O32 -","4","1","","Zhao, Fang-Hua; Li, Zhong-Lin; He, Yuan-Chun; Zhang, Mei; Han, Jun; Fan, Sheng-Qing; Li, Yu-Shuo; You, Jin-Mao","Syntheses, structures and magnetism of two Cu(II) coordination polymers of d-camphorate controlled by metal-ligand ratio","Inorganica Chimica Acta","2020","502","","119387","","10.1016/j.ica.2019.119387","","","0.71073","MoKα","","0.0902","0.0741","","","0.175","0.1886","","","","","","1.049","","","","has coordinates","270937","2021-11-30","09:58:33",""
"1565446","10.0797","0.0006","18.5156","0.0011","20.6491","0.0012","90","","91.271","0.001","90","","3852.8","0.4","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H38 N O8 P2 Ru -","- C42 H38 N O8 P2 Ru -","- C168 H152 N4 O32 P8 Ru4 -","4","2","","Elnajjar, Fawzia O.; Wang, Ruiyao; Aquino, Manuel A.S.","Synthesis, structure and electrochemistry of ruthenium(II) and (III) mono- and bis-oxalato complexes","Inorganica Chimica Acta","2020","502","","119388","","10.1016/j.ica.2019.119388","","","0.71073","MoKα","","0.036","0.0308","","","0.0679","0.0712","","","","","","1.026","","","","has coordinates","270938","2021-11-30","10:06:55",""
"1565447","5.7235","0.0001","10.3402","0.0002","14.0915","0.0002","90","","91.795","0.001","90","","833.56","0.02","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 N O14 Ru -","- C9 H18 N O14 Ru -","- C18 H36 N2 O28 Ru2 -","2","0.5","","Elnajjar, Fawzia O.; Wang, Ruiyao; Aquino, Manuel A.S.","Synthesis, structure and electrochemistry of ruthenium(II) and (III) mono- and bis-oxalato complexes","Inorganica Chimica Acta","2020","502","","119388","","10.1016/j.ica.2019.119388","","","0.71073","MoKα","","0.0298","0.0232","","","0.0559","0.0599","","","","","","1.069","","","","has coordinates","270938","2021-11-30","10:07:01",""
"1565448","9.4573","0.0001","10.7866","0.0001","11.4837","0.0001","80.648","0.001","83.988","0.001","86.261","0.001","1148.16","0.019","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20.93 N3 O10.47 Ru -","- C19 H20.932 N3 O10.466 Ru -","- C38 H41.864 N6 O20.932 Ru2 -","2","1","","Elnajjar, Fawzia O.; Wang, Ruiyao; Aquino, Manuel A.S.","Synthesis, structure and electrochemistry of ruthenium(II) and (III) mono- and bis-oxalato complexes","Inorganica Chimica Acta","2020","502","","119388","","10.1016/j.ica.2019.119388","","","0.71073","MoKα","","0.0209","0.0198","","","0.0508","0.0516","","","","","","1.05","","","","has coordinates","270938","2021-11-30","10:07:16",""
"1565449","9.2186","0.0004","24.3744","0.0011","16.8071","0.0008","90","","96.804","0.001","90","","3749.9","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Cl12 N4 O4 Ru -","- C26 H23.269 Cl11.994 N4 O4 Ru -","- C104 H93.076 Cl47.976 N16 O16 Ru4 -","4","1","","Elnajjar, Fawzia O.; Wang, Ruiyao; Aquino, Manuel A.S.","Synthesis, structure and electrochemistry of ruthenium(II) and (III) mono- and bis-oxalato complexes","Inorganica Chimica Acta","2020","502","","119388","","10.1016/j.ica.2019.119388","","","0.71073","MoKα","","0.0443","0.036","","","0.0807","0.0849","","","","","","1.047","","","","has coordinates,has disorder","270938","2021-11-30","10:07:20",""
"1565450","8.3188","0.0002","13.4185","0.0003","9.0483","0.0002","90","","104.954","0.001","90","","975.82","0.04","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H26.68 O9.34 Ru S4 -","- C10 H24 O9.342 Ru S4 -","- C20 H48 O18.684 Ru2 S8 -","2","1","","Elnajjar, Fawzia O.; Wang, Ruiyao; Aquino, Manuel A.S.","Synthesis, structure and electrochemistry of ruthenium(II) and (III) mono- and bis-oxalato complexes","Inorganica Chimica Acta","2020","502","","119388","","10.1016/j.ica.2019.119388","","","0.71073","MoKα","","0.0152","0.0151","","","0.0399","0.04","","","","","","1","","","","has coordinates,has disorder","270938","2021-11-30","10:07:23",""
"1565451","28.7507","0.0013","28.7507","0.0013","17.9975","0.0009","90","","90","","90","","14876.8","1.2","112","","112","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C94 H113.2 Cl8 Fe4 N46 O57.6 -","- C94 H92.7 Cl8 Fe4 N46 O57.6 -","- C376 H370.8 Cl32 Fe16 N184 O230.4 -","4","0.25","","Tanaka, Tsubasa; Sunatsuki, Yukinari; Suzuki, Takayoshi","Synthesis and magnetic properties of tetrahedral tetranuclear iron(II) complexes with bis(bidentate)-type Schiff bases containing imidazole groups","Inorganica Chimica Acta","2020","502","","119373","","10.1016/j.ica.2019.119373","","","0.71075","MoKα","","0.0985","0.0796","","","0.233","0.2526","","","","","","1.032","","","","has coordinates","270939","2021-11-30","10:15:30",""
"1565452","28.627","0.004","28.627","0.004","18.807","0.003","90","","90","","90","","15412","4","112","","112","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C120 H140 B8 F32 Fe4 N48 O4 -","- C120 H96 B8 F32 Fe4 N48 O4 -","- C480 H384 B32 F128 Fe16 N192 O16 -","4","0.25","","Tanaka, Tsubasa; Sunatsuki, Yukinari; Suzuki, Takayoshi","Synthesis and magnetic properties of tetrahedral tetranuclear iron(II) complexes with bis(bidentate)-type Schiff bases containing imidazole groups","Inorganica Chimica Acta","2020","502","","119373","","10.1016/j.ica.2019.119373","","","0.71075","MoKα","","0.1022","0.0738","","","0.2202","0.242","","","","","","1.044","","","","has coordinates","270939","2021-11-30","10:15:33",""
"1565453","7.6803","0.0004","8.59","0.0004","12.6261","0.0005","75.226","0.004","88.079","0.004","79.872","0.004","792.84","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H0 Br6 N Sb -","- C7 H10 Br6 N Sb -","- C14 H20 Br12 N2 Sb2 -","2","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Plyusnin, Pavel E.; Korolkov, Ilya V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Five new Sb(V) bromide complexes and their polybromide derivatives with pyridinium-type cations: Structures, thermal stability and features of halogen⋯halogen contacts in solid state","Inorganica Chimica Acta","2020","502","","119278","","10.1016/j.ica.2019.119278","","","0.71073","MoKα","","0.0799","0.0574","","","0.1436","0.1655","","","","","","0.933","","","","has coordinates","270940","2021-11-30","10:26:14",""
"1565454","7.3284","0.0003","10.5875","0.0005","16.7538","0.0008","90","","96.005","0.004","90","","1292.78","0.1","135","2","135","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Br9 N2 Sb -","- C14 H20 Br9 N2 Sb -","- C28 H40 Br18 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Plyusnin, Pavel E.; Korolkov, Ilya V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Five new Sb(V) bromide complexes and their polybromide derivatives with pyridinium-type cations: Structures, thermal stability and features of halogen⋯halogen contacts in solid state","Inorganica Chimica Acta","2020","502","","119278","","10.1016/j.ica.2019.119278","","","0.71073","MoKα","","0.059","0.0381","","","0.074","0.0828","","","","","","1.004","","","","has coordinates","270940","2021-11-30","10:26:27",""
"1565455","11.4927","0.0004","7.3613","0.0002","16.9266","0.0006","90","","100.782","0.003","90","","1406.73","0.08","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Br9 N2 Sb -","- C16 H24 Br9 N2 Sb -","- C32 H48 Br18 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Plyusnin, Pavel E.; Korolkov, Ilya V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Five new Sb(V) bromide complexes and their polybromide derivatives with pyridinium-type cations: Structures, thermal stability and features of halogen⋯halogen contacts in solid state","Inorganica Chimica Acta","2020","502","","119278","","10.1016/j.ica.2019.119278","","","0.71073","MoKα","","0.0409","0.0278","","","0.0452","0.0491","","","","","","0.98","","","","has coordinates","270940","2021-11-30","10:26:30",""
"1565456","8.3421","0.0008","13.196","0.0011","13.1826","0.0014","90","","105.402","0.01","90","","1399.1","0.2","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Br9 N2 Sb -","- C16 H24 Br9 N2 Sb -","- C32 H48 Br18 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Plyusnin, Pavel E.; Korolkov, Ilya V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Five new Sb(V) bromide complexes and their polybromide derivatives with pyridinium-type cations: Structures, thermal stability and features of halogen⋯halogen contacts in solid state","Inorganica Chimica Acta","2020","502","","119278","","10.1016/j.ica.2019.119278","","","0.71073","MoKα","","0.0352","0.0273","","","0.0523","0.0547","","","","","","1.017","","","","has coordinates","270940","2021-11-30","10:26:43",""
"1565457","8.3195","0.0006","8.9921","0.0005","12.336","0.0009","86.146","0.005","76.52","0.006","71.872","0.006","852.87","0.11","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H12 Br6 N Sb -","- C8 H12 Br6 N Sb -","- C16 H24 Br12 N2 Sb2 -","2","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Plyusnin, Pavel E.; Korolkov, Ilya V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Five new Sb(V) bromide complexes and their polybromide derivatives with pyridinium-type cations: Structures, thermal stability and features of halogen⋯halogen contacts in solid state","Inorganica Chimica Acta","2020","502","","119278","","10.1016/j.ica.2019.119278","","","0.71073","MoKα","","0.0494","0.0375","","","0.0811","0.0893","","","","","","0.987","","","","has coordinates","270940","2021-11-30","10:26:49",""
"1565458","14.4012","0.0015","44.515","0.005","16.5153","0.0017","90","","111.286","0.001","90","","9865.2","1.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C87 H107 Cl5 Fe2 N15 O28.5 Zn3 -","- C87 H104 Cl5 Fe2 N15 O28.5 Zn3 -","- C348 H416 Cl20 Fe8 N60 O114 Zn12 -","4","1","","Maranha, Filipy Gobbo; dos Santos Silva, Graciela Aparecida; Bortoluzzi, Adailton J.; Nordlander, Ebbe; Peralta, Rosely A.; Neves, Ademir","A new heteropentanuclear complex containing the [Fe2IIIZn3II(μ-OH)3] structural motif as a model for purple acid phosphatases","Inorganica Chimica Acta","2020","502","","119280","","10.1016/j.ica.2019.119280","","","0.71073","MoKα","","0.074","0.0617","","","0.1391","0.145","","","","","","1.121","","","","has coordinates,has disorder","270941","2021-11-30","10:34:12",""
"1565459","6.9323","0.0004","8.524","0.0006","12.5071","0.0008","89.096","0.005","79.418","0.006","82.735","0.005","720.63","0.08","100.05","0.16","100.05","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 N3 O2 S -","- C15 H17 N3 O2 S -","- C30 H34 N6 O4 S2 -","2","1","","Tang, Haiming; Saunders, Graham C.; Ma, Xiaochuan; Henderson, William","Pyrrole thioamide complexes of the d8 metals platinum(II), palladium(II) and gold(III)","Inorganica Chimica Acta","2020","502","","119282","","10.1016/j.ica.2019.119282","","","1.54184","CuKα","","0.0532","0.0371","","","0.0879","0.0946","","","","","","1.0321","","","","has coordinates","270942","2021-11-30","10:40:34",""
"1565460","10.3271","0.0005","12.0211","0.0006","12.2148","0.0005","118.107","0.005","98.606","0.004","105.272","0.004","1221.73","0.14","111","15","111","15","","","","","","","","6","P -1","-P 1","2","","","","- C25.75 H23.5 Au Cl1.5 N3 S -","- C25.75 H23.5 Au Cl1.5 N3 S -","- C51.5 H47 Au2 Cl3 N6 S2 -","2","1","","Tang, Haiming; Saunders, Graham C.; Ma, Xiaochuan; Henderson, William","Pyrrole thioamide complexes of the d8 metals platinum(II), palladium(II) and gold(III)","Inorganica Chimica Acta","2020","502","","119282","","10.1016/j.ica.2019.119282","","","1.5418","CuKα","","0.0484","0.0456","","","0.121","0.124","","","","","","1.0369","","","","has coordinates","270942","2021-11-30","10:40:37",""
"1565461","15.0999","0.0002","8.23711","0.00015","15.1811","0.0002","90","","92.8016","0.0014","90","","1885.96","0.05","99.95","0.13","99.95","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Au N4 O2 S -","- C20 H19 Au N4 O2 S -","- C80 H76 Au4 N16 O8 S4 -","4","1","","Tang, Haiming; Saunders, Graham C.; Ma, Xiaochuan; Henderson, William","Pyrrole thioamide complexes of the d8 metals platinum(II), palladium(II) and gold(III)","Inorganica Chimica Acta","2020","502","","119282","","10.1016/j.ica.2019.119282","","x-ray","1.54184","CuKα","","0.0323","0.0263","","","0.0712","0.0739","","","","","","1.0682","","","","has coordinates","270942","2021-11-30","10:40:39",""
"1565462","8.1369","0.001","10.8673","0.0013","13.3669","0.0016","99.505","0.002","99.254","0.002","89.829","0.002","1150.2","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H31 Cl O P2 Pd S -","- C18 H31 Cl O P2 Pd S -","- C36 H62 Cl2 O2 P4 Pd2 S2 -","2","1","","Valderrama-García, Bianca X.; Rufino-Felipe, Ernesto; Valdés, Hugo; Hernandez-Ortega, Simón; Aguilar-Castillo, Bethsy Adriana; Morales-Morales, David","Novel and facile procedure for the synthesis of Ni(II) and Pd(II) PSCOP pincer complexes. Evaluation of their catalytic activity on C-S, C-Se and C-C cross coupling reactions","Inorganica Chimica Acta","2020","502","","119283","","10.1016/j.ica.2019.119283","","","0.71073","MoKα","","0.0656","0.0543","","","0.1113","0.1168","","","","","","1.119","","","","has coordinates,has disorder","270943","2021-11-30","10:44:46",""
"1565463","73.218","0.006","7.9782","0.0006","21.9591","0.0017","90","","99.829","0.001","90","","12639.1","1.7","123","2","123","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C22 H39 Cl Ni O P2 S -","- C22 H39 Cl Ni O P2 S -","- C440 H780 Cl20 Ni20 O20 P40 S20 -","20","5","","Valderrama-García, Bianca X.; Rufino-Felipe, Ernesto; Valdés, Hugo; Hernandez-Ortega, Simón; Aguilar-Castillo, Bethsy Adriana; Morales-Morales, David","Novel and facile procedure for the synthesis of Ni(II) and Pd(II) PSCOP pincer complexes. Evaluation of their catalytic activity on C-S, C-Se and C-C cross coupling reactions","Inorganica Chimica Acta","2020","502","","119283","","10.1016/j.ica.2019.119283","","","0.71073","MoKα","","0.0739","0.0612","","","0.1367","0.1446","","","","","","1.037","","","","has coordinates,has disorder","270943","2021-11-30","10:44:49",""
"1565466","14.212","0.001","14.212","0.001","16.6729","0.0014","90","","90","","90","","3367.6","0.4","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","nasr_1","nasr_1","","- C24 H34 Cu N12 O8 -","- C24 H34 Cu N12 O8 -","- C96 H136 Cu4 N48 O32 -","4","0.5","","Boubakri, Rim; Jelsch, Christian; Lefebvre, Frédéric; Kaminsky, Werner; Nasr, Cherif Ben; Kaabi, Kamel","Crystal structure, Hirshfeld surface analysis and physicochemical studies of two new Cu(II) complexes with the ligand 2-amino-6-methylpyrimidin-4-(1H)-one","Inorganica Chimica Acta","2020","502","","119289","","10.1016/j.ica.2019.119289","","","0.71073","MoKα","","0.0427","0.0329","","","0.0776","0.0811","","","","","","1.033","","","","has coordinates","270955","2021-12-01","09:23:34",""
"1565467","12.1887","0.001","12.3732","0.0008","14.2797","0.0008","90","","98.751","0.006","90","","2128.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Cu N6 O9 -","- C14 H26 Cu N6 O9 -","- C56 H104 Cu4 N24 O36 -","4","1","","Boubakri, Rim; Jelsch, Christian; Lefebvre, Frédéric; Kaminsky, Werner; Nasr, Cherif Ben; Kaabi, Kamel","Crystal structure, Hirshfeld surface analysis and physicochemical studies of two new Cu(II) complexes with the ligand 2-amino-6-methylpyrimidin-4-(1H)-one","Inorganica Chimica Acta","2020","502","","119289","","10.1016/j.ica.2019.119289","","","0.71073","MoKα","","0.0904","0.0765","","","0.1945","0.2189","","","","","","1.062","","","","has coordinates","270955","2021-12-01","09:23:35",""
"1565468","14.4655","0.0005","19.699","0.0009","24.7036","0.001","90","","100.242","0.0014","90","","6927.3","0.5","150","2","150.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C168 H126 Gd4 N14 O16 -","- C168 H126 Gd4 N14 O16 -","- C336 H252 Gd8 N28 O32 -","2","0.5","","Hou, Yin-Ling; Han, Xue; Hu, Xin-Yan; Shen, Jie-Xuan; Wang, Jie; Shi, Ying; Ji, Jia; Hua, Yu-Peng; Wang, Wen-Min","Two LnIII4 (LnIII = Gd and Dy) clusters constructed by 8-hydroxyquinoline schiff base and β-diketonate coligand: Magnetic refrigeration property and single-molecule magnet behavior","Inorganica Chimica Acta","2020","502","","119290","","10.1016/j.ica.2019.119290","","","0.71073","MoKα","","0.1097","0.0608","","","0.1449","0.1784","","","","","","1.063","","","","has coordinates","270956","2021-12-01","09:28:56",""
"1565469","14.4736","0.0005","19.6747","0.0007","24.6633","0.0008","90","","100.256","0.0012","90","","6911","0.4","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C168 H126 Dy4 N14 O16 -","- C168 H126 Dy4 N14 O16 -","- C336 H252 Dy8 N28 O32 -","2","0.5","","Hou, Yin-Ling; Han, Xue; Hu, Xin-Yan; Shen, Jie-Xuan; Wang, Jie; Shi, Ying; Ji, Jia; Hua, Yu-Peng; Wang, Wen-Min","Two LnIII4 (LnIII = Gd and Dy) clusters constructed by 8-hydroxyquinoline schiff base and β-diketonate coligand: Magnetic refrigeration property and single-molecule magnet behavior","Inorganica Chimica Acta","2020","502","","119290","","10.1016/j.ica.2019.119290","","","0.71073","MoKα","","0.0929","0.0599","","","0.1529","0.1834","","","","","","1.076","","","","has coordinates","270956","2021-12-01","09:28:56",""
"1565470","10.0743","0.0004","25.3923","0.001","8.5537","0.0004","90","","92.62","0.004","90","","2185.83","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Br Cd N2 O9 -","- C19 H19 Br Cd N2 O9 -","- C76 H76 Br4 Cd4 N8 O36 -","4","1","","Yang, Yan; Zhou, Xiao-Jie; Zhao, Ning; He, Yuan-Chun; Zhang, Gai; Yang, Jing-Jing","The photochromism of a coordination polymer constructed by Cd(II) and the mono-substituted viologen ligand 1-(3,5-dicarboxylbenzyl)-4,4′-bipyridinium bromide","Inorganica Chimica Acta","2020","502","","119292","","10.1016/j.ica.2019.119292","","","0.71073","MoKα","","0.0762","0.0599","","","0.1558","0.169","","","","","","1.063","","","","has coordinates","270957","2021-12-01","09:33:42",""
"1565471","24.842","0.005","4.931","0.0009","5.9195","0.0012","90","","90","","90","","725.1","0.2","150","","150.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","5FA-Ag","","","- C7 H5 Ag F N O2 -","- C7 H5 Ag F N O2 -","- C28 H20 Ag4 F4 N4 O8 -","4","1","","Manzano, Carlos M.; Nakahata, Douglas H.; Tenorio, Juan C.; Lustri, Wilton R.; Resende Nogueira, Flávia A.; Aleixo, Nadia A.; da Silva Gomes, Pietra S.; Pavan, Fernando R.; Grecco, Julia A.; Ribeiro, Camila M.; Corbi, Pedro P.","Silver complexes with fluoroanthranilic acid isomers: Spectroscopic characterization, antimycobacterial activity and cytotoxic studies over a panel of tumor cells","Inorganica Chimica Acta","2020","502","","119293","","10.1016/j.ica.2019.119293","","x-ray","0.71073","MoKα","","0.0368","0.0334","","","0.0671","0.0682","","","","","","1.232","","","","has coordinates","270975","2021-12-02","08:28:19",""
"1565472","10.99","0.002","12.35","0.003","17.57","0.004","76.96","0.03","85.79","0.03","69.96","0.03","2182.5","1","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H65 Eu N2 O6 -","- C43 H65 Eu N2 O6 -","- C86 H130 Eu2 N4 O12 -","2","1","","Zhuravlev, Konstantin P.; Tsaryuk, Vera I.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Kudryashova, Valentina A.; Klemenkova, Zinaida S.","Structural peculiarities and luminescence of europium dipivaloylmethanates with 2,2′-bipyridine derivatives. Polymorphism of [Eu(DPM)3Bpy]","Inorganica Chimica Acta","2020","502","","119294","","10.1016/j.ica.2019.119294","","","0.80248","synchrotron","","0.0436","0.042","","","0.1101","0.1114","","","","","","1.044","","","","has coordinates","270976","2021-12-02","08:39:46",""
"1565473","11.2423","0.0004","12.3046","0.0004","19.0305","0.0006","74.24","0.002","80.046","0.002","68.276","0.002","2345.91","0.14","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H69 Eu N2 O6 -","- C45 H69 Eu N2 O6 -","- C90 H138 Eu2 N4 O12 -","2","1","","Zhuravlev, Konstantin P.; Tsaryuk, Vera I.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Kudryashova, Valentina A.; Klemenkova, Zinaida S.","Structural peculiarities and luminescence of europium dipivaloylmethanates with 2,2′-bipyridine derivatives. Polymorphism of [Eu(DPM)3Bpy]","Inorganica Chimica Acta","2020","502","","119294","","10.1016/j.ica.2019.119294","","","1.54178","CuKα","","0.079","0.074","","","0.2066","0.2097","","","","","","1.011","","","","has coordinates,has disorder","270976","2021-12-02","08:39:47",""
"1565474","11.272","0.002","12.305","0.002","19.043","0.004","74.311","0.004","79.747","0.004","68.215","0.003","2352.4","0.8","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H69 N2 O6 Tb -","- C45 H69 N2 O6 Tb -","- C90 H138 N4 O12 Tb2 -","2","1","","Zhuravlev, Konstantin P.; Tsaryuk, Vera I.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Kudryashova, Valentina A.; Klemenkova, Zinaida S.","Structural peculiarities and luminescence of europium dipivaloylmethanates with 2,2′-bipyridine derivatives. Polymorphism of [Eu(DPM)3Bpy]","Inorganica Chimica Acta","2020","502","","119294","","10.1016/j.ica.2019.119294","","","0.71073","MoKα","","0.1189","0.0784","","","0.1748","0.1964","","","","","","1.009","","","","has coordinates,has disorder","270976","2021-12-02","08:39:47",""
"1565475","28.021","0.006","24.455","0.005","13.015","0.003","90","","90","","90","","8919","3","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H65 Eu N2 O6 -","- C43 H65 Eu N2 O6 -","- C344 H520 Eu8 N16 O48 -","8","2","","Zhuravlev, Konstantin P.; Tsaryuk, Vera I.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Kudryashova, Valentina A.; Klemenkova, Zinaida S.","Structural peculiarities and luminescence of europium dipivaloylmethanates with 2,2′-bipyridine derivatives. Polymorphism of [Eu(DPM)3Bpy]","Inorganica Chimica Acta","2020","502","","119294","","10.1016/j.ica.2019.119294","","","0.80248","synchrotron","","0.0486","0.0463","","","0.1203","0.1219","","","","","","1.097","","","","has coordinates,has disorder","270976","2021-12-02","08:39:47",""
"1565476","28.065","0.002","24.46","0.002","13.0005","0.0011","90","","90","","90","","8924.5","1.2","120","","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H65 Gd N2 O6 -","- C43 H65 Gd N2 O6 -","- C344 H520 Gd8 N16 O48 -","8","2","","Zhuravlev, Konstantin P.; Tsaryuk, Vera I.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Kudryashova, Valentina A.; Klemenkova, Zinaida S.","Structural peculiarities and luminescence of europium dipivaloylmethanates with 2,2′-bipyridine derivatives. Polymorphism of [Eu(DPM)3Bpy]","Inorganica Chimica Acta","2020","502","","119294","","10.1016/j.ica.2019.119294","","","0.71073","MoKα","","0.1669","0.082","","","0.1327","0.1643","","","","","","1.007","","","","has coordinates,has disorder","270976","2021-12-02","08:39:47",""
"1565477","28.015","0.003","24.423","0.003","12.9837","0.0014","90","","90","","90","","8883.6","1.7","120","","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H65 N2 O6 Tb -","- C43 H65 N2 O6 Tb -","- C344 H520 N16 O48 Tb8 -","8","2","","Zhuravlev, Konstantin P.; Tsaryuk, Vera I.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Kudryashova, Valentina A.; Klemenkova, Zinaida S.","Structural peculiarities and luminescence of europium dipivaloylmethanates with 2,2′-bipyridine derivatives. Polymorphism of [Eu(DPM)3Bpy]","Inorganica Chimica Acta","2020","502","","119294","","10.1016/j.ica.2019.119294","","","0.71073","MoKα","","0.1153","0.0776","","","0.1052","0.1155","","","","","","1.014","","","","has coordinates,has disorder","270976","2021-12-02","08:39:47",""
"1565478","22.888","0.004","25.631","0.004","16.944","0.003","90","","102.728","0.003","90","","9696","3","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C66 H42 N4 O29 Zn5 -","- C66 H42 N4 O29 Zn5 -","- C264 H168 N16 O116 Zn20 -","4","0.5","","Wen, Gui-Lin; Liu, Bo; Liu, Dao-Fu; Wang, Feng-Wu; Li, Li; Zhu, Liang; Song, Dong-Mei; Huang, Chao-Xiu; Wang, Yao-Yu","Four congenetic zinc(II) MOFs from delicate solvent-regulated strategy: Structural diversities and fluorescent properties","Inorganica Chimica Acta","2020","502","","119296","","10.1016/j.ica.2019.119296","","","0.71073","MoKα","","0.13","0.0762","","","0.1865","0.2072","","","","","","1.031","","","","has coordinates","270977","2021-12-02","09:07:07",""
"1565479","13.707","0.006","14.229","0.006","15.229","0.007","95.789","0.007","106.877","0.007","90.06","0.007","2826","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H19 N2 O16 Zn2 -","- C42 H19 N2 O16 Zn2 -","- C84 H38 N4 O32 Zn4 -","2","1","","Wen, Gui-Lin; Liu, Bo; Liu, Dao-Fu; Wang, Feng-Wu; Li, Li; Zhu, Liang; Song, Dong-Mei; Huang, Chao-Xiu; Wang, Yao-Yu","Four congenetic zinc(II) MOFs from delicate solvent-regulated strategy: Structural diversities and fluorescent properties","Inorganica Chimica Acta","2020","502","","119296","","10.1016/j.ica.2019.119296","","","0.71073","MoKα","","0.1093","0.0915","","","0.2143","0.2216","","","","","","1.158","","","","has coordinates","270977","2021-12-02","09:07:08",""
"1565480","28.917","0.014","16.436","0.008","19.031","0.009","90","","118.713","0.006","90","","7933","7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N2 O11 Zn2 -","- C24 H20 N2 O11 Zn2 -","- C192 H160 N16 O88 Zn16 -","8","1","","Wen, Gui-Lin; Liu, Bo; Liu, Dao-Fu; Wang, Feng-Wu; Li, Li; Zhu, Liang; Song, Dong-Mei; Huang, Chao-Xiu; Wang, Yao-Yu","Four congenetic zinc(II) MOFs from delicate solvent-regulated strategy: Structural diversities and fluorescent properties","Inorganica Chimica Acta","2020","502","","119296","","10.1016/j.ica.2019.119296","","","0.71073","MoKα","","0.1561","0.0938","","","0.2466","0.2649","","","","","","1.19","","","","has coordinates","270977","2021-12-02","09:07:08",""
"1565481","29.593","0.009","16.576","0.005","18.963","0.006","90","","120.983","0.005","90","","7975","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N2 O11 Zn2 -","- C26 H22 N2 O11 Zn2 -","- C208 H176 N16 O88 Zn16 -","8","1","","Wen, Gui-Lin; Liu, Bo; Liu, Dao-Fu; Wang, Feng-Wu; Li, Li; Zhu, Liang; Song, Dong-Mei; Huang, Chao-Xiu; Wang, Yao-Yu","Four congenetic zinc(II) MOFs from delicate solvent-regulated strategy: Structural diversities and fluorescent properties","Inorganica Chimica Acta","2020","502","","119296","","10.1016/j.ica.2019.119296","","","0.71073","MoKα","","0.1437","0.0839","","","0.2139","0.2335","","","","","","1.025","","","","has coordinates","270977","2021-12-02","09:07:08",""
"1565482","18.915","0.013","10.196","0.007","29.92","0.02","90","","105.996","0.009","90","","5547","7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H54 Mn N4 O5.5 P4 -","- C60 H54 Mn N4 O5.5 P4 -","- C240 H216 Mn4 N16 O22 P16 -","4","1","","Qian, Zhe; Zhang, Ying; Jia, Ai-Quan; Shi, Hua-Tian; Zhang, Qian-Feng","Syntheses, molecular structures, and spectroscopic properties of manganese(II)/(III) complexes with tetraphenylimidodiphosphinato and bi-pyridine or salicylaldehyde ligands","Inorganica Chimica Acta","2020","502","","119298","","10.1016/j.ica.2019.119298","","","0.71073","MoKα","","0.2284","0.0827","","","0.222","0.3304","","","","","","0.798","","","","has coordinates","270978","2021-12-02","09:17:16",""
"1565483","11.23","0.013","15.446","0.014","18.01","0.02","79.602","0.018","89.991","0.015","74.36","0.03","2955","5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C60.5 H52 Mn N4 O5.5 P4 -","- C60.5 H52 Mn N4 O5.5 P4 -","- C121 H104 Mn2 N8 O11 P8 -","2","1","","Qian, Zhe; Zhang, Ying; Jia, Ai-Quan; Shi, Hua-Tian; Zhang, Qian-Feng","Syntheses, molecular structures, and spectroscopic properties of manganese(II)/(III) complexes with tetraphenylimidodiphosphinato and bi-pyridine or salicylaldehyde ligands","Inorganica Chimica Acta","2020","502","","119298","","10.1016/j.ica.2019.119298","","","0.71073","MoKα","","0.218","0.1391","","","0.3407","0.3708","","","","","","1.358","","","","has coordinates","270979","2021-12-02","09:18:26",""
"1565484","16.101","0.003","9.8089","0.0016","19.171","0.003","90","","95.106","0.002","90","","3015.7","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H58 Mn2 N2 O10 P4 -","- C64 H58 Mn2 N2 O10 P4 -","- C128 H116 Mn4 N4 O20 P8 -","2","0.5","","Qian, Zhe; Zhang, Ying; Jia, Ai-Quan; Shi, Hua-Tian; Zhang, Qian-Feng","Syntheses, molecular structures, and spectroscopic properties of manganese(II)/(III) complexes with tetraphenylimidodiphosphinato and bi-pyridine or salicylaldehyde ligands","Inorganica Chimica Acta","2020","502","","119298","","10.1016/j.ica.2019.119298","","","0.71073","MoKα","","0.1301","0.0499","","","0.0994","0.1298","","","","","","0.978","","","","has coordinates","270980","2021-12-02","09:19:47",""
"1565485","9.236","0.003","13.596","0.005","13.882","0.005","113.453","0.004","97.147","0.005","100.949","0.004","1530.9","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H56 Cl2 Mn2 N2 O10 P4 -","- C64 H56 Cl2 Mn2 N2 O10 P4 -","- C64 H56 Cl2 Mn2 N2 O10 P4 -","1","0.5","","Qian, Zhe; Zhang, Ying; Jia, Ai-Quan; Shi, Hua-Tian; Zhang, Qian-Feng","Syntheses, molecular structures, and spectroscopic properties of manganese(II)/(III) complexes with tetraphenylimidodiphosphinato and bi-pyridine or salicylaldehyde ligands","Inorganica Chimica Acta","2020","502","","119298","","10.1016/j.ica.2019.119298","","","0.71073","MoKα","","0.0642","0.0434","","","0.0979","0.1102","","","","","","1.06","","","","has coordinates","270981","2021-12-02","09:21:09",""
"1565486","10.76","0.02","12.12","0.02","17.66","0.03","99.48","0.03","98.95","0.03","104.57","0.03","2151","6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H88 Br4 Mn4 N2 O20 P4 -","- C74 H80 Br4 Mn4 N2 O20 P4 -","- C74 H80 Br4 Mn4 N2 O20 P4 -","1","0.5","","Qian, Zhe; Zhang, Ying; Jia, Ai-Quan; Shi, Hua-Tian; Zhang, Qian-Feng","Syntheses, molecular structures, and spectroscopic properties of manganese(II)/(III) complexes with tetraphenylimidodiphosphinato and bi-pyridine or salicylaldehyde ligands","Inorganica Chimica Acta","2020","502","","119298","","10.1016/j.ica.2019.119298","","","0.71073","MoKα","","0.2799","0.0776","","","0.174","0.2606","","","","","","0.873","","","","has coordinates","270982","2021-12-02","09:22:47",""
"1565487","9.3211","0.0002","10.1863","0.0002","14.3882","0.0003","78.854","0.001","72.74","0.001","83.873","0.001","1278.22","0.05","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H46 N4 O2 W -","- C20 H46 N4 O2 W -","- C40 H92 N8 O4 W2 -","2","1","","Yeo, So Jeong; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo","Synthesis and characterization of tungsten Imido/Aminoalkoxide complexes to deposit tungsten oxide thin films","Inorganica Chimica Acta","2020","502","","119307","","10.1016/j.ica.2019.119307","","","0.71073","MoKα","","0.013","0.0126","","","0.0309","0.031","","","","","","1.103","","","","has coordinates","270983","2021-12-02","09:26:26",""
"1565489","20.7553","0.0007","15.015","0.0004","18.8647","0.0006","90","","98.272","0.003","90","","5817.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H23 Cd N8 O5.5 -","- C29 H23 Cd N8 O5.5 -","- C232 H184 Cd8 N64 O44 -","8","1","","Huo, Jianqiang; Li, Haiqiang; Yu, Donghui; Arulsamy, Navamoney","Three new metal complexes with imidazole-containing tripodal ligands as fluorophores for nitroaromatics- and ion-selective sensing","Inorganica Chimica Acta","2020","502","","119310","","10.1016/j.ica.2019.119310","","","0.71","MoKα","","0.073","0.0477","","","0.112","0.1306","","","","","","1.061","","","","has coordinates","270999","2021-12-03","09:34:24",""
"1565490","13.096","0.0005","15.6324","0.0005","14.9336","0.0005","90","","96.996","0.004","90","","3034.47","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 N7 Ni O5.25 S -","- C33 H25 N7 Ni O5.25 S -","- C132 H100 N28 Ni4 O21 S4 -","4","1","","Huo, Jianqiang; Li, Haiqiang; Yu, Donghui; Arulsamy, Navamoney","Three new metal complexes with imidazole-containing tripodal ligands as fluorophores for nitroaromatics- and ion-selective sensing","Inorganica Chimica Acta","2020","502","","119310","","10.1016/j.ica.2019.119310","","","0.71073","MoKα","","0.0651","0.0444","","","0.0911","0.1051","","","","","","1.057","","","","has coordinates,has disorder","271000","2021-12-03","09:36:28",""
"1565491","11.9412","0.0003","18.4307","0.0006","14.4818","0.0004","90","","91.814","0.002","90","","3185.62","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H23 Cd N7 O5.5 S -","- C33 H23 Cd N7 O5.5 S -","- C132 H92 Cd4 N28 O22 S4 -","4","1","","Huo, Jianqiang; Li, Haiqiang; Yu, Donghui; Arulsamy, Navamoney","Three new metal complexes with imidazole-containing tripodal ligands as fluorophores for nitroaromatics- and ion-selective sensing","Inorganica Chimica Acta","2020","502","","119310","","10.1016/j.ica.2019.119310","","","0.71073","MoKα","","0.0573","0.0392","","","0.075","0.0859","","","","","","1.053","","","","has coordinates,has disorder","271001","2021-12-03","09:37:38",""
"1565492","23.58","0.003","13.7258","0.0017","9.3558","0.0011","90","","90","","90","","3028","0.6","296","2","296","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C33 H24 Co N4 O6 -","- C33 H24 Co N4 O6 -","- C132 H96 Co4 N16 O24 -","4","1","","Hu, Dong-Cheng; Wu, Ya-Jun; Sun, Jing; Shang, Ke-Xia; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Five coordination polymers based on two asymmetric Semi-rigid carboxylate organic ligands and N-donor 4, 4′-di (1H-imidazol-1-yl)-1, 1′-biphenyl ligand: Solvent-induced synthesis, crystal structures, magnetic and dye absorption properties","Inorganica Chimica Acta","2020","502","","119356","","10.1016/j.ica.2019.119356","","","0.71073","MoKα","","0.0504","0.0412","","","0.1126","0.1173","","","","","","1.09","","","","has coordinates","271002","2021-12-03","09:45:40",""
"1565493","10.2536","0.0006","10.8554","0.0008","13.1698","0.0008","102.243","0.002","97.689","0.0018","97.897","0.002","1398.72","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H24 Co N4 O6 -","- C33 H24 Co N4 O6 -","- C66 H48 Co2 N8 O12 -","2","1","","Hu, Dong-Cheng; Wu, Ya-Jun; Sun, Jing; Shang, Ke-Xia; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Five coordination polymers based on two asymmetric Semi-rigid carboxylate organic ligands and N-donor 4, 4′-di (1H-imidazol-1-yl)-1, 1′-biphenyl ligand: Solvent-induced synthesis, crystal structures, magnetic and dye absorption properties","Inorganica Chimica Acta","2020","502","","119356","","10.1016/j.ica.2019.119356","","","0.71073","MoKα","","0.0498","0.0382","","","0.1082","0.1163","","","","","","0.991","","","","has coordinates","271002","2021-12-03","09:45:43",""
"1565494","35.992","0.006","10.2729","0.0017","23.541","0.004","90","","118.732","0.002","90","","7632","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H64 Co3 N12 O18 -","- C86 H64 Co3 N12 O18 -","- C344 H256 Co12 N48 O72 -","4","0.5","","Hu, Dong-Cheng; Wu, Ya-Jun; Sun, Jing; Shang, Ke-Xia; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Five coordination polymers based on two asymmetric Semi-rigid carboxylate organic ligands and N-donor 4, 4′-di (1H-imidazol-1-yl)-1, 1′-biphenyl ligand: Solvent-induced synthesis, crystal structures, magnetic and dye absorption properties","Inorganica Chimica Acta","2020","502","","119356","","10.1016/j.ica.2019.119356","","","0.71073","MoKα","","0.085","0.0595","","","0.1504","0.1631","","","","","","1.063","","","","has coordinates,has disorder","271002","2021-12-03","09:45:46",""
"1565495","36.686","0.003","10.0855","0.0008","23.456","0.0018","90","","118.396","0.0017","90","","7634.4","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H68 N12 Ni3 O20 -","- C86 H68 N12 Ni3 O20 -","- C344 H272 N48 Ni12 O80 -","4","0.5","","Hu, Dong-Cheng; Wu, Ya-Jun; Sun, Jing; Shang, Ke-Xia; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Five coordination polymers based on two asymmetric Semi-rigid carboxylate organic ligands and N-donor 4, 4′-di (1H-imidazol-1-yl)-1, 1′-biphenyl ligand: Solvent-induced synthesis, crystal structures, magnetic and dye absorption properties","Inorganica Chimica Acta","2020","502","","119356","","10.1016/j.ica.2019.119356","","","0.71073","MoKα","","0.0533","0.0412","","","0.1034","0.1099","","","","","","1.04","","","","has coordinates","271002","2021-12-03","09:45:48",""
"1565496","36.762","0.007","10.419","0.002","23.64","0.005","90","","117.321","0.003","90","","8045","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H60 Cd3 N12 O16 -","- C86 H60 Cd3 N12 O16 -","- C344 H240 Cd12 N48 O64 -","4","0.5","","Hu, Dong-Cheng; Wu, Ya-Jun; Sun, Jing; Shang, Ke-Xia; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Five coordination polymers based on two asymmetric Semi-rigid carboxylate organic ligands and N-donor 4, 4′-di (1H-imidazol-1-yl)-1, 1′-biphenyl ligand: Solvent-induced synthesis, crystal structures, magnetic and dye absorption properties","Inorganica Chimica Acta","2020","502","","119356","","10.1016/j.ica.2019.119356","","","0.71073","MoKα","","0.0425","0.0339","","","0.0879","0.0921","","","","","","1.042","","","","has coordinates","271002","2021-12-03","09:45:51",""
"1565497","6.6721","0.0003","14.0949","0.0008","21.7775","0.001","104.148","0.004","92.361","0.004","93.747","0.004","1978.18","0.17","293","2","293","2","","","","","","","synthesis","5","P -1","-P 1","2","","","","- C42 H50 N2 Ni O4 -","- C42 H50 N2 Ni O4 -","- C84 H100 N4 Ni2 O8 -","2","1","","Sarkar, Prasenjit; Ghorai, Samir; Chandra Paul, Ganesh; Khannam, Mahmuda; Barman, Surajit; Mukherjee, Chandan","Synthesis, characterization and study on the dissimilar reactivity of a Ni(II)-bis(iminosemiquinone) complex core to ligand-appended hemilabile –CH2OH and –CH2NH2 units","Inorganica Chimica Acta","2020","502","","119340","","10.1016/j.ica.2019.119340","","x-ray","0.71073","MoKα","","0.1256","0.0667","","","0.1399","0.1737","","","","","","1.068","","","","has coordinates","271003","2021-12-03","09:52:20",""
"1565498","5.7899","0.0008","12.5127","0.0009","13.9208","0.0014","71.193","0.008","80.081","0.01","81.402","0.008","935.62","0.18","102","3","102","3","","","","","","","synthesis","5","P -1","-P 1","2","","","","- C21 H27 N Ni0.5 O2 -","- C21 H27 N Ni0.5 O2 -","- C42 H54 N2 Ni O4 -","2","1","","Sarkar, Prasenjit; Ghorai, Samir; Chandra Paul, Ganesh; Khannam, Mahmuda; Barman, Surajit; Mukherjee, Chandan","Synthesis, characterization and study on the dissimilar reactivity of a Ni(II)-bis(iminosemiquinone) complex core to ligand-appended hemilabile –CH2OH and –CH2NH2 units","Inorganica Chimica Acta","2020","502","","119340","","10.1016/j.ica.2019.119340","","x-ray","0.71073","MoKα","","0.115","0.0823","","","0.1987","0.2278","","","","","","1.046","","","","has coordinates","271004","2021-12-03","09:53:27",""
"1565499","25.81","0.002","6.9366","0.0006","28.778","0.003","90","","96.065","0.008","90","","5123.4","0.8","296","2","296","2","","","","","","","synthesis","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H31 N3 Ni O -","- C28 H31 N3 Ni O -","- C224 H248 N24 Ni8 O8 -","8","1","","Sarkar, Prasenjit; Ghorai, Samir; Chandra Paul, Ganesh; Khannam, Mahmuda; Barman, Surajit; Mukherjee, Chandan","Synthesis, characterization and study on the dissimilar reactivity of a Ni(II)-bis(iminosemiquinone) complex core to ligand-appended hemilabile –CH2OH and –CH2NH2 units","Inorganica Chimica Acta","2020","502","","119340","","10.1016/j.ica.2019.119340","","x-ray","0.71073","MoKα","","0.0994","0.0557","","","0.1166","0.1439","","","","","","1.03","","","","has coordinates","271005","2021-12-03","09:54:50",""
"1565535","8.5718","0.0007","13.3508","0.0009","13.009","0.0007","90","","93.729","0.005","90","","1485.6","0.18","100.01","0.1","100.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H16 N4 O2 -","- C16 H16 N4 O2 -","- C64 H64 N16 O8 -","4","0.5","","Purkait, Kallol; Mukherjee, Arindam","Cytotoxicity and reactivity of a redox active 1,4-quinone-pyrazole compound and its Ru(II)-p-cymene complex","Inorganica Chimica Acta","2020","502","","119361","","10.1016/j.ica.2019.119361","","x-ray","0.71073","MoKα","","0.0563","0.047","","","0.1077","0.1182","","","","","","1.063","","","","has coordinates","271122","2021-12-06","08:17:58",""
"1565536","11.715","0.0002","13.2905","0.0002","18.5755","0.0002","90","","95.463","0.001","90","","2879.04","0.07","100","2","100.01","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cl F6 N4 O2 P Ru -","- C26 H32 Cl F5.98 N4 O2 P Ru -","- C104 H128 Cl4 F23.92 N16 O8 P4 Ru4 -","4","1","","Purkait, Kallol; Mukherjee, Arindam","Cytotoxicity and reactivity of a redox active 1,4-quinone-pyrazole compound and its Ru(II)-p-cymene complex","Inorganica Chimica Acta","2020","502","","119361","","10.1016/j.ica.2019.119361","","x-ray","0.71073","MoKα","","0.0514","0.0415","","","0.0967","0.1038","","","","","","1.022","","","","has coordinates,has disorder","271122","2021-12-06","08:18:04",""
"1565537","9.8698","0.0005","14.0281","0.0007","18.8714","0.0009","76.317","0.0011","81.6093","0.0011","77.7631","0.0011","2468.3","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H59 Eu N6 O7 -","- C51 H59 Eu N6 O7 -","- C102 H118 Eu2 N12 O14 -","2","1","","Taydakov, Ilya V.; Belousov, Yury A.; Lyssenko, Konstantin A.; Varaksina, Eugenia; Drozdov, Andrey A.; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio","Synthesis, phosphorescence and luminescence properties of novel europium and gadolinium tris-acylpyrazolonate complexes","Inorganica Chimica Acta","2020","502","","119279","","10.1016/j.ica.2019.119279","","","0.71073","MoKα","","0.0529","0.0398","","","0.0788","0.0841","","","","","","0.994","","","","has coordinates","271123","2021-12-06","08:22:22",""
"1565538","20.0975","0.0007","13.8845","0.0005","17.341","0.0006","90","","103.049","0.002","90","","4713.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H46 N8 O13 Zn2 -","- C44 H46 N8 O13 Zn2 -","- C176 H184 N32 O52 Zn8 -","4","0.5","","Khullar, Sadhika; Thakur, Smriti; Mandal, Sanjay K.","Synthesis and structural characterization of Zn(II) and Cd(II) ion directed coordination networks and their template-free fabrication to metal oxide nanomaterials","Inorganica Chimica Acta","2020","502","","119281","","10.1016/j.ica.2019.119281","","","0.71073","MoKα","","0.0892","0.055","","","0.1407","0.16","","","","","","1.042","","","","has coordinates","271124","2021-12-06","08:26:48",""
"1565539","8.6876","0.0005","14.9527","0.0009","15.8867","0.0009","90","","90","","90","","2063.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","1","","Khullar, Sadhika; Thakur, Smriti; Mandal, Sanjay K.","Synthesis and structural characterization of Zn(II) and Cd(II) ion directed coordination networks and their template-free fabrication to metal oxide nanomaterials","Inorganica Chimica Acta","2020","502","","119281","","10.1016/j.ica.2019.119281","","","0.71073","MoKα","","0.0293","0.0275","","","0.0623","0.0635","","","","","","1.003","","","","has coordinates","271124","2021-12-06","08:26:49",""
"1565540","12.0945","0.0004","12.4586","0.0003","17.1428","0.0005","73.056","0.003","78.839","0.003","65.55","0.003","2241.46","0.13","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H38 Cl N3 O2 P2 Ru S -","- C50 H38 Cl N3 O2 P2 Ru S -","- C100 H76 Cl2 N6 O4 P4 Ru2 S2 -","2","1","","Vijayan, Paranthaman; Yadav, Samanta; Yadav, Sunil; Gupta, Rajeev","Ruthenium(II) complexes of pyridine-carboxamide ligands bearing appended benzothiazole/benzimidazole rings: Structural diversity and catalysis","Inorganica Chimica Acta","2020","502","","119285","","10.1016/j.ica.2019.119285","","","0.71073","MoKα","","0.0308","0.0267","","","0.0624","0.0645","","","","","","1.019","","","","has coordinates","271125","2021-12-06","08:37:20",""
"1565541","8.1187","0.0006","11.9641","0.0007","12.2397","0.0008","74.092","0.003","86.817","0.004","70.785","0.003","1078.86","0.13","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H15 Cl2 N5 O2 Ru S -","- C18 H15 Cl2 N5 O2 Ru S -","- C36 H30 Cl4 N10 O4 Ru2 S2 -","2","1","","Vijayan, Paranthaman; Yadav, Samanta; Yadav, Sunil; Gupta, Rajeev","Ruthenium(II) complexes of pyridine-carboxamide ligands bearing appended benzothiazole/benzimidazole rings: Structural diversity and catalysis","Inorganica Chimica Acta","2020","502","","119285","","10.1016/j.ica.2019.119285","","","0.71073","MoKα","","0.1225","0.079","","","0.1784","0.2013","","","","","","1.026","","","","has coordinates","271125","2021-12-06","08:37:23",""
"1565542","10.2686","0.0006","12.0973","0.0008","15.7733","0.001","90","","91.326","0.002","90","","1958.9","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Cl2 N5 O3 Ru -","- C17 H13 Cl2 N5 O3 Ru -","- C68 H52 Cl8 N20 O12 Ru4 -","4","1","","Vijayan, Paranthaman; Yadav, Samanta; Yadav, Sunil; Gupta, Rajeev","Ruthenium(II) complexes of pyridine-carboxamide ligands bearing appended benzothiazole/benzimidazole rings: Structural diversity and catalysis","Inorganica Chimica Acta","2020","502","","119285","","10.1016/j.ica.2019.119285","","","0.71073","MoKα","","0.0301","0.0252","","","0.0606","0.0645","","","","","","1.099","","","","has coordinates","271125","2021-12-06","08:37:29",""
"1565543","12.0368","0.0003","11.7297","0.0003","15.8171","0.0004","90","","91.623","0.002","90","","2232.29","0.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cl2 N3 O3 Ru S3 -","- C17 H21 Cl2 N3 O3 Ru S3 -","- C68 H84 Cl8 N12 O12 Ru4 S12 -","4","1","","Vijayan, Paranthaman; Yadav, Samanta; Yadav, Sunil; Gupta, Rajeev","Ruthenium(II) complexes of pyridine-carboxamide ligands bearing appended benzothiazole/benzimidazole rings: Structural diversity and catalysis","Inorganica Chimica Acta","2020","502","","119285","","10.1016/j.ica.2019.119285","","","0.71073","MoKα","","0.0428","0.0311","","","0.0668","0.0728","","","","","","1.026","","","","has coordinates","271125","2021-12-06","08:37:38",""
"1565544","10.7023","0.0003","9.9414","0.0003","25.728","0.0007","90","","101.593","0.003","90","","2681.51","0.14","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cl2 N4 O4 Ru S2 -","- C18 H26 Cl2 N4 O4 Ru S2 -","- C72 H104 Cl8 N16 O16 Ru4 S8 -","4","1","","Vijayan, Paranthaman; Yadav, Samanta; Yadav, Sunil; Gupta, Rajeev","Ruthenium(II) complexes of pyridine-carboxamide ligands bearing appended benzothiazole/benzimidazole rings: Structural diversity and catalysis","Inorganica Chimica Acta","2020","502","","119285","","10.1016/j.ica.2019.119285","","","0.71073","MoKα","","0.0332","0.0293","","","0.0681","0.0702","","","","","","1.001","","","","has coordinates","271125","2021-12-06","08:37:38",""
"1565545","10.8987","0.0004","16.1704","0.0005","24.0492","0.0008","90","","91.034","0.003","90","","4237.7","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H39 N3 O2 P2 Ru S -","- C50 H39 N3 O2 P2 Ru S -","- C200 H156 N12 O8 P8 Ru4 S4 -","4","1","","Vijayan, Paranthaman; Yadav, Samanta; Yadav, Sunil; Gupta, Rajeev","Ruthenium(II) complexes of pyridine-carboxamide ligands bearing appended benzothiazole/benzimidazole rings: Structural diversity and catalysis","Inorganica Chimica Acta","2020","502","","119285","","10.1016/j.ica.2019.119285","","","0.71073","MoKα","","0.1104","0.0535","","","0.0983","0.1169","","","","","","0.989","","","","has coordinates","271125","2021-12-06","08:37:41",""
"1565546","13.1771","0.0004","18.7693","0.0006","17.1873","0.0006","90","","102.858","0.004","90","","4144.3","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 N4 O2 P2 Ru -","- C50 H40 N4 O2 P2 Ru -","- C200 H160 N16 O8 P8 Ru4 -","4","1","","Vijayan, Paranthaman; Yadav, Samanta; Yadav, Sunil; Gupta, Rajeev","Ruthenium(II) complexes of pyridine-carboxamide ligands bearing appended benzothiazole/benzimidazole rings: Structural diversity and catalysis","Inorganica Chimica Acta","2020","502","","119285","","10.1016/j.ica.2019.119285","","","0.71073","MoKα","","0.0456","0.0363","","","0.0943","0.1029","","","","","","0.916","","","","has coordinates","271125","2021-12-06","08:37:50",""
"1565547","9.0315","0.0006","14.2944","0.0009","11.3175","0.001","90","","97.307","0.001","90","","1449.22","0.18","297","2","297.03","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","mer-Cr(pzH)3Cl3","","- C9.01 H12.02 Cl3 Cr N6.01 -","- C9.008 H12.016 Cl3 Cr N6.008 -","- C36.032 H48.064 Cl12 Cr4 N24.032 -","4","0.5","","López Plá, Jessica M.; Boudalis, Athanassios K.; Telser, Joshua; Raptis, Raphael G.","Chromium(III)-pyrazole complexes. X-Ray crystal structures, 1H NMR investigation of ligand fluxional behavior and EPR studies","Inorganica Chimica Acta","2020","502","","119299","","10.1016/j.ica.2019.119299","","","0.71073","MoKα","","0.0324","0.0282","","","0.0726","0.0762","","","","","","1.132","","","","has coordinates,has disorder","271126","2021-12-06","08:59:42",""
"1565548","17.455","0.013","6.801","0.005","14.857","0.011","90","","90","","90","","1764","2","296","2","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","mer-CrCl3(3-Me-pzH)3","","- C12 H18 Cl3 Cr N6 -","- C12 H18 Cl3 Cr N6 -","- C48 H72 Cl12 Cr4 N24 -","4","1","","López Plá, Jessica M.; Boudalis, Athanassios K.; Telser, Joshua; Raptis, Raphael G.","Chromium(III)-pyrazole complexes. X-Ray crystal structures, 1H NMR investigation of ligand fluxional behavior and EPR studies","Inorganica Chimica Acta","2020","502","","119299","","10.1016/j.ica.2019.119299","","","0.71073","MoKα","","0.036","0.0273","","","0.0598","0.0639","","","","","","1.026","","","","has coordinates","271126","2021-12-06","08:59:53",""
"1565549","11.356","0.002","11.59","0.002","13.632","0.003","90","","90","","90","","1794.2","0.6","273.15","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","mer-CrCl3(4-Me-pzH)","","- C12 H18 Cl3 Cr N6 -","- C12 H18 Cl3 Cr N6 -","- C48 H72 Cl12 Cr4 N24 -","4","1","","López Plá, Jessica M.; Boudalis, Athanassios K.; Telser, Joshua; Raptis, Raphael G.","Chromium(III)-pyrazole complexes. X-Ray crystal structures, 1H NMR investigation of ligand fluxional behavior and EPR studies","Inorganica Chimica Acta","2020","502","","119299","","10.1016/j.ica.2019.119299","","","0.71073","MoKα","","0.0678","0.0428","","","0.0814","0.0894","","","","","","1.028","","","","has coordinates","271126","2021-12-06","08:59:54",""
"1565550","6.792","0.003","10.395","0.003","12.218","0.004","78.808","0.015","89.621","0.015","88.186","0.015","845.8","0.5","295.15","","295.15","","","","","","","","","5","P -1","-P 1","2","","mer-CrCl3(4-Cl-pzH)3","","- C9 H9 Cl6 Cr N6 -","- C9 H9 Cl6 Cr N6 -","- C18 H18 Cl12 Cr2 N12 -","2","1","","López Plá, Jessica M.; Boudalis, Athanassios K.; Telser, Joshua; Raptis, Raphael G.","Chromium(III)-pyrazole complexes. X-Ray crystal structures, 1H NMR investigation of ligand fluxional behavior and EPR studies","Inorganica Chimica Acta","2020","502","","119299","","10.1016/j.ica.2019.119299","","","0.71073","MoKα","","0.0358","0.027","","","0.0628","0.0668","","","","","","1.046","","","","has coordinates,has disorder","271126","2021-12-06","08:59:54",""
"1565551","8.868","0.006","9.913","0.006","20.661","0.012","90","","100.469","0.017","90","","1786","1.9","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","mer-CrCl3(4-Br-pzH)3","","- C9 H9 Br3 Cl3 Cr N6 -","- C9 H9 Br3 Cl3 Cr N6 -","- C36 H36 Br12 Cl12 Cr4 N24 -","4","1","","López Plá, Jessica M.; Boudalis, Athanassios K.; Telser, Joshua; Raptis, Raphael G.","Chromium(III)-pyrazole complexes. X-Ray crystal structures, 1H NMR investigation of ligand fluxional behavior and EPR studies","Inorganica Chimica Acta","2020","502","","119299","","10.1016/j.ica.2019.119299","","","0.71073","MoKα","","0.0515","0.0366","","","0.0836","0.0913","","","","","","1.028","","","","has coordinates","271126","2021-12-06","08:59:54",""
"1565552","9.5178","0.0008","10.619","0.0009","12.6128","0.0011","78.787","0.002","82.592","0.002","86.424","0.002","1239.09","0.18","295","2","295","","","","","","","","","7","P -1","-P 1","2","","trans-Cr(4-I-pz)3Cl3","","- C13 H17 Cl3 Cr I2.99 N6 O -","- C9 H9 Cl3 Cr I2.982 N6 -","- C18 H18 Cl6 Cr2 I5.964 N12 -","2","1","","López Plá, Jessica M.; Boudalis, Athanassios K.; Telser, Joshua; Raptis, Raphael G.","Chromium(III)-pyrazole complexes. X-Ray crystal structures, 1H NMR investigation of ligand fluxional behavior and EPR studies","Inorganica Chimica Acta","2020","502","","119299","","10.1016/j.ica.2019.119299","","","0.71073","MoKα","","0.0555","0.0363","","","0.0883","0.0951","","","","","","1.055","","","","has coordinates,has disorder","271126","2021-12-06","08:59:54",""
"1565553","8.0428","0.0003","8.437","0.0004","14.9426","0.0006","76.697","0.001","89.927","0.001","68.369","0.001","913.34","0.07","302","2","302.21","","","","","","","","","5","P -1","-P 1","2","","[trans-Cr(pzH)4Cl2]Cl","","- C12 H16 Cl3 Cr N8 -","- C12 H16 Cl3 Cr N8 -","- C24 H32 Cl6 Cr2 N16 -","2","1","","López Plá, Jessica M.; Boudalis, Athanassios K.; Telser, Joshua; Raptis, Raphael G.","Chromium(III)-pyrazole complexes. X-Ray crystal structures, 1H NMR investigation of ligand fluxional behavior and EPR studies","Inorganica Chimica Acta","2020","502","","119299","","10.1016/j.ica.2019.119299","","","0.71073","MoKα","","0.0591","0.0432","","","0.0897","0.0963","","","","","","1.099","","","","has coordinates","271126","2021-12-06","08:59:54",""
"1565554","13.5854","0.0008","10.4098","0.0006","21.5335","0.0012","90","","100.405","0.001","90","","2995.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 Cl N O4 P Rh -","- C35 H28 Cl N O4 P Rh -","- C140 H112 Cl4 N4 O16 P4 Rh4 -","4","1","","Williams, Cody; Ferreira, Michel; Tilloy, Sébastien; Monflier, Eric; Mapolie, Selwyn F.; Smith, Gregory S.","Fréchet-type metallodendrons with N,P-iminophosphine Rh(I) complexes at the focal point: Synthesis and evaluation in the hydroformylation of 1-octene","Inorganica Chimica Acta","2020","502","","119341","","10.1016/j.ica.2019.119341","","","0.71073","MoKα","","0.0607","0.0342","","","0.0641","0.071","","","","","","1.021","","","","has coordinates","271127","2021-12-06","09:07:47",""
"1565555","7.6582","0.0004","10.6878","0.0005","13.9776","0.0006","99.199","0.002","95.857","0.002","97.625","0.002","1110.44","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cd N6 S4 -","- C18 H20 Cd N6 S4 -","- C36 H40 Cd2 N12 S8 -","2","1","","Santra, Ananyakumari; Brandao, Paula; Mondal, Gopinath; Bera, Pradip; Jana, Abhimanyu; Bhattacharyya, Indranil; Pramanik, Chandana; Bera, Pulakesh","Monomeric and dimeric cadmium(II) complexes of S-alkyl/aryl dithiocarbazate as single-source precursors for cadmium sulfide nanoparticles: An experimental, theoretical interpretation in the stability of precursor and visible light dye degradation study","Inorganica Chimica Acta","2020","501","","119315","","10.1016/j.ica.2019.119315","","","0.71073","MoKα","","0.0272","0.021","","","0.0476","0.0502","","","","","","1.034","","","","has coordinates","271128","2021-12-06","09:15:31",""
"1565556","9.1658","0.0005","9.2721","0.0005","10.7922","0.0006","72.562","0.002","74.696","0.002","72.819","0.002","820.36","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 Cd2 Cl2 N6 S4 -","- C30 H28 Cd2 Cl2 N6 S4 -","- C30 H28 Cd2 Cl2 N6 S4 -","1","0.5","","Santra, Ananyakumari; Brandao, Paula; Mondal, Gopinath; Bera, Pradip; Jana, Abhimanyu; Bhattacharyya, Indranil; Pramanik, Chandana; Bera, Pulakesh","Monomeric and dimeric cadmium(II) complexes of S-alkyl/aryl dithiocarbazate as single-source precursors for cadmium sulfide nanoparticles: An experimental, theoretical interpretation in the stability of precursor and visible light dye degradation study","Inorganica Chimica Acta","2020","501","","119315","","10.1016/j.ica.2019.119315","","","0.71073","MoKα","","0.0202","0.018","","","0.0433","0.0442","","","","","","1.053","","","","has coordinates","271128","2021-12-06","09:15:35",""
"1565557","12.9522","0.0018","12.9522","0.0018","14.054","0.003","90","","90","","120","","2041.8","0.6","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C12 H6 O16 Sc3 -","- C12 H6 O16 Sc3 -","- C24 H12 O32 Sc6 -","2","0.166667","","Wang, Pengcheng; Zhang, Liying; Zhu, Ziqian; Wu, Shujie; Shan, Liang; Fan, Yong; Wang, Li; Chen, Xiaodong; Xu, Jianing","Two three-dimensional Sc(III)-MOFs: Synthesis, crystal structure and catalytic property","Inorganica Chimica Acta","2020","501","","119304","","10.1016/j.ica.2019.119304","","","0.71073","MoKα","","0.087","0.0632","","","0.1903","0.203","","","","","","1.113","","","","has coordinates","271129","2021-12-06","09:22:44",""
"1565558","13.579","0.003","16.643","0.005","13.902","0.004","90","","104.682","0.017","90","","3039.2","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 O10 S2 Sc2 -","- C12 H4 O10 S2 Sc2 -","- C48 H16 O40 S8 Sc8 -","4","1","","Wang, Pengcheng; Zhang, Liying; Zhu, Ziqian; Wu, Shujie; Shan, Liang; Fan, Yong; Wang, Li; Chen, Xiaodong; Xu, Jianing","Two three-dimensional Sc(III)-MOFs: Synthesis, crystal structure and catalytic property","Inorganica Chimica Acta","2020","501","","119304","","10.1016/j.ica.2019.119304","","","0.71073","MoKα","","0.0913","0.0558","","","0.1334","0.1432","","","","","","0.851","","","","has coordinates","271129","2021-12-06","09:22:47",""
"1565559","10.3799","0.0008","11.3213","0.0012","16.317","0.002","99.982","0.004","104.865","0.004","108.471","0.004","1688.7","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N13 O13 Y2 -","- C27 H25 N13 O13 Y2 -","- C54 H50 N26 O26 Y4 -","2","1","","Zhu, Liwei; Liu, Ning; Jiang, Xiaohui; Yu, Liangmin; Li, Xia","Four novel 3D RE-MOFs based on maleic hydrazide: Syntheses, structural diversity, efficient electromagnetic wave absorption and antibacterial activity properties","Inorganica Chimica Acta","2020","501","","119291","","10.1016/j.ica.2019.119291","","","0.71073","MoKα","","0.0613","0.0405","","","0.0969","0.109","","","","","","1.039","","","","has coordinates","271130","2021-12-06","10:34:57",""
"1565560","10.366","0.002","11.333","0.002","16.169","0.003","100.21","0.004","104.428","0.004","106.832","0.005","1695.9","0.5","220","","220","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Er2 N12 O12 -","- C24 H18 Er2 N12 O12 -","- C48 H36 Er4 N24 O24 -","2","1","","Zhu, Liwei; Liu, Ning; Jiang, Xiaohui; Yu, Liangmin; Li, Xia","Four novel 3D RE-MOFs based on maleic hydrazide: Syntheses, structural diversity, efficient electromagnetic wave absorption and antibacterial activity properties","Inorganica Chimica Acta","2020","501","","119291","","10.1016/j.ica.2019.119291","","","0.71073","MoKα","","0.0682","0.0548","","","0.1608","0.1721","","","","","","1.125","","","","has coordinates","271131","2021-12-06","10:37:02",""
"1565561","10.4337","0.0008","11.3682","0.0009","16.2663","0.0013","100.086","0.002","104.773","0.002","107.153","0.002","1715.9","0.2","220","","220","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N12 O12 Yb2 -","- C24 H18 N12 O12 Yb2 -","- C48 H36 N24 O24 Yb4 -","2","1","","Zhu, Liwei; Liu, Ning; Jiang, Xiaohui; Yu, Liangmin; Li, Xia","Four novel 3D RE-MOFs based on maleic hydrazide: Syntheses, structural diversity, efficient electromagnetic wave absorption and antibacterial activity properties","Inorganica Chimica Acta","2020","501","","119291","","10.1016/j.ica.2019.119291","","","0.71073","MoKα","","0.094","0.0816","","","0.2518","0.2672","","","","","","1.165","","","","has coordinates","271132","2021-12-06","10:39:15",""
"1565562","17.5663","0.0006","13.0743","0.0005","14.1771","0.0005","90","","105.588","0.001","90","","3136.3","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 La N6 O6 -","- C12 H9 La N6 O6 -","- C96 H72 La8 N48 O48 -","8","1","","Zhu, Liwei; Liu, Ning; Jiang, Xiaohui; Yu, Liangmin; Li, Xia","Four novel 3D RE-MOFs based on maleic hydrazide: Syntheses, structural diversity, efficient electromagnetic wave absorption and antibacterial activity properties","Inorganica Chimica Acta","2020","501","","119291","","10.1016/j.ica.2019.119291","","","0.71073","MoKα","","0.0284","0.0272","","","0.074","0.075","","","","","","1.089","","","","has coordinates","271133","2021-12-06","10:40:50",""
"1565563","12.0752","0.0003","20.5757","0.0004","17.6406","0.0004","90","","107.024","0.003","90","","4190.86","0.18","180","0.2","180","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H40 Er N3 O4 S2 -","- C47 H40 Er N3 O4 S2 -","- C188 H160 Er4 N12 O16 S8 -","4","1","","Liu, Bin; Jin, Hong; Kuang, Ze-An; Chen, Xin; Meng, Yin-Shan; Lin, Shijing; Liu, Shan-Shan","Bifunctional sulfur-ligated erbium complex: Crystal structure, magnetic and luminescent properties","Inorganica Chimica Acta","2020","501","","119297","","10.1016/j.ica.2019.119297","","x-ray","0.71073","MoKα","","0.0628","0.0357","","","0.0748","0.0839","","","","","","1.019","","","","has coordinates","271134","2021-12-06","10:49:03",""
"1565564","12.0674","0.0002","20.5884","0.0003","17.6815","0.0003","90","","106.864","0.002","90","","4204.03","0.13","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H40 N3 O4 S2 Tb -","- C47 H40 N3 O4 S2 Tb -","- C188 H160 N12 O16 S8 Tb4 -","4","1","","Liu, Bin; Jin, Hong; Kuang, Ze-An; Chen, Xin; Meng, Yin-Shan; Lin, Shijing; Liu, Shan-Shan","Bifunctional sulfur-ligated erbium complex: Crystal structure, magnetic and luminescent properties","Inorganica Chimica Acta","2020","501","","119297","","10.1016/j.ica.2019.119297","","x-ray","0.71073","MoKα","","0.0348","0.0254","","","0.0591","0.0629","","","","","","1.036","","","","has coordinates","271135","2021-12-06","10:50:37",""
"1565591","7.261","0.002","10.156","0.003","15.48","0.01","90","","91.06","0.04","90","","1141.3","0.9","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cl4 O2 Si2 Ti2 -","- C16 H20 Cl4 O2 Si2 Ti2 -","- C32 H40 Cl8 O4 Si4 Ti4 -","2","0.5","","Mateos, María; Vinueza, Joan; Mosquera, Marta E.G.; Tabernero, Vanessa; Cuenca, Tomás; Jiménez, Gerardo","Cyclopentadienyl-silsesquioxane titanium compounds as suitable candidates for immobilization on silica-based supports","Inorganica Chimica Acta","2020","501","","119275","","10.1016/j.ica.2019.119275","","x-ray","0.71073","MoKα","","0.114","0.0756","","","0.2245","0.2363","","","","","","1.161","","","","has coordinates,has disorder","271260","2021-12-08","09:15:08",""
"1565592","18.9602","0.0004","11.0683","0.0003","20.8501","0.0005","90","","95.1797","0.0015","90","","4357.68","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H38 Fe2 O4 P2 S2 -","- C50 H38 Fe2 O4 P2 S2 -","- C200 H152 Fe8 O16 P8 S8 -","4","1","","Faujdar, Hemlata; Spannenberg, Anke; Kaur-Ghumaan, Sandeep","Structural and HER studies of diphosphine-monothiolate complexes [Fe2(CO)4(μ-naphthalene-2-thiolate)2(μ-dppe)] and [Fe2(CO)4(μ-naphthalene-2-thiolate)2(μ-DPEPhos)]","Inorganica Chimica Acta","2020","501","","119227","","10.1016/j.ica.2019.119227","","","1.54178","CuKα","","0.0648","0.045","","","0.1041","0.1149","","","","","","1.007","","","","has coordinates","271261","2021-12-08","09:23:33",""
"1565593","9.5866","0.0003","9.7464","0.0003","13.8899","0.0004","79.113","0.001","81.146","0.001","85.846","0.001","1258","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 Cl3 Eu N6 O7 -","- C16 H28 Cl3 Eu N6 O7 -","- C32 H56 Cl6 Eu2 N12 O14 -","2","1","","Al-Khalili, Asia N.; Al-Busaidi, Idris J.; Ilmi, Rashid; Al-Mandhary, Muna; Khan, Muhammad S.; Al-Rasbi, Nawal K.","Investigation of binding tendency of Eu(III) and La(III)-Schiff base complexes to selected oxy-anions and amino acids","Inorganica Chimica Acta","2020","501","","119226","","10.1016/j.ica.2019.119226","","","0.71073","MoKα","","0.0286","0.0253","","","0.0632","0.0651","","","","","","1.046","","","","has coordinates","271262","2021-12-08","09:26:52",""
"1565594","7.591","0.004","10.496","0.004","10.791","0.005","86.56","0.03","85.43","0.02","70.61","0.03","807.9","0.7","293","2","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C11 H14 B2 Cl F4 O4 S -","- C11 H14 B2 Cl F4 O4 S -","- C22 H28 B4 Cl2 F8 O8 S2 -","2","1","","Svistunova, Iryna V.; Sharutin, Vladimir V.; Tretyakova, Galina O.; Puzyrkov, Zakhar N.","Synthesis and structure of boron difluoride binuclear β-diketonates","Inorganica Chimica Acta","2020","501","","119230","","10.1016/j.ica.2019.119230","","","0.71073","MoKα","","0.12","0.0669","","","0.1788","0.2078","","","","","","1.021","","","","has coordinates","271263","2021-12-08","10:04:01",""
"1565595","8.368","0.003","18.822","0.007","25.534","0.009","90","","90","","90","","4022","3","293","2","293.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H16 B2 F4 O4 S -","- C20 H16 B2 F4 O4 S -","- C160 H128 B16 F32 O32 S8 -","8","1","","Svistunova, Iryna V.; Sharutin, Vladimir V.; Tretyakova, Galina O.; Puzyrkov, Zakhar N.","Synthesis and structure of boron difluoride binuclear β-diketonates","Inorganica Chimica Acta","2020","501","","119230","","10.1016/j.ica.2019.119230","","","0.71073","MoKα","","0.0827","0.0491","","","0.1008","0.1138","","","","","","1.045","","","","has coordinates","271264","2021-12-08","10:05:40",""
"1565596","11.371","0.009","12.765","0.011","11.993","0.009","90","","116.24","0.03","90","","1561","2","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 B2 F4 O5 S -","- C11 H14 B2 F4 O5 S -","- C44 H56 B8 F16 O20 S4 -","4","1","","Svistunova, Iryna V.; Sharutin, Vladimir V.; Tretyakova, Galina O.; Puzyrkov, Zakhar N.","Synthesis and structure of boron difluoride binuclear β-diketonates","Inorganica Chimica Acta","2020","501","","119230","","10.1016/j.ica.2019.119230","","","0.71073","MoKα","","0.0503","0.0404","","","0.1125","0.1217","","","","","","1.052","","","","has coordinates","271265","2021-12-08","10:07:19",""
"1565597","10.6062","0.0007","20.1457","0.0013","7.3306","0.0005","90","","105.493","0.003","90","","1509.41","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Co N2 O7 -","- C12 H12 Co N2 O7 -","- C48 H48 Co4 N8 O28 -","4","1","","Bhattacharyya, Manjit K.; Dutta, Debajit; Nashre-ul-Islam, Swah Mohd.; Frontera, Antonio; Sharma, Pranay; Verma, Akalesh K.; Das, Amal","Energetically significant antiparallel π-stacking contacts in Co(II), Ni(II) and Cu(II) coordination compounds of pyridine-2,6-dicarboxylates: Antiproliferative evaluation and theoretical studies","Inorganica Chimica Acta","2020","501","","119233","","10.1016/j.ica.2019.119233","","","0.71073","MoKα","","0.0619","0.0458","","","0.145","0.1567","","","","","","1.088","","","","has coordinates","271266","2021-12-08","10:22:03",""
"1565598","14.8466","0.0007","13.4836","0.0006","7.1539","0.0003","90","","90.648","0.002","90","","1432.02","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cu N2 O7 -","- C12 H14 Cu N2 O7 -","- C48 H56 Cu4 N8 O28 -","4","1","","Bhattacharyya, Manjit K.; Dutta, Debajit; Nashre-ul-Islam, Swah Mohd.; Frontera, Antonio; Sharma, Pranay; Verma, Akalesh K.; Das, Amal","Energetically significant antiparallel π-stacking contacts in Co(II), Ni(II) and Cu(II) coordination compounds of pyridine-2,6-dicarboxylates: Antiproliferative evaluation and theoretical studies","Inorganica Chimica Acta","2020","501","","119233","","10.1016/j.ica.2019.119233","","","0.71073","MoKα","","0.03","0.0267","","","0.0728","0.0745","","","","","","1.052","","","","has coordinates","271267","2021-12-08","10:23:08",""
"1565599","10.5818","0.0004","20.0941","0.0008","7.2854","0.0003","90","","105.089","0.003","90","","1495.7","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 Ni O7 -","- C12 H12 N2 Ni O7 -","- C48 H48 N8 Ni4 O28 -","4","1","","Bhattacharyya, Manjit K.; Dutta, Debajit; Nashre-ul-Islam, Swah Mohd.; Frontera, Antonio; Sharma, Pranay; Verma, Akalesh K.; Das, Amal","Energetically significant antiparallel π-stacking contacts in Co(II), Ni(II) and Cu(II) coordination compounds of pyridine-2,6-dicarboxylates: Antiproliferative evaluation and theoretical studies","Inorganica Chimica Acta","2020","501","","119233","","10.1016/j.ica.2019.119233","","","0.71073","MoKα","","0.0631","0.0465","","","0.144","0.1565","","","","","","1.074","","","","has coordinates","271268","2021-12-08","10:24:27",""
"1565600","13.4859","0.0008","13.9193","0.0008","16.7686","0.001","97.753","0.005","112.821","0.005","95.185","0.005","2839.5","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H29 Cl N4 O4 P2 Pd -","- C28 H29 Cl N4 O4 P2 Pd -","- C112 H116 Cl4 N16 O16 P8 Pd4 -","4","2","","Carroll, Hannah K.; Brown, Matthew L.; Yap, Vanessa C.; Magnuson, Justine R.; Reich, Noah A.J.; Macdonald, Alexander G.P.; Montgomery, Craig D.","Rapid interconversion of diastereomers of [PdCl{P(OC6H4NMe)2}{P(OC6H4NMe)OC6H4NHMe}]","Inorganica Chimica Acta","2020","501","","119239","","10.1016/j.ica.2019.119239","","x-ray","1.54178","CuKα","","0.149","0.0786","","","0.1922","0.2381","","","","","","1.02","","","","has coordinates","271270","2021-12-08","10:29:39",""
"1565607","17.504","0.002","6.9533","0.0009","16.344","0.002","90","","109.34","0.002","90","","1877","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 Cl2 Hg N2 O0.5 -","- C7 H7 Cl2 Hg N2 O0.5 -","- C56 H56 Cl16 Hg8 N16 O4 -","8","1","","Mahmoudi, Ghodrat; Hayati, Payam; Mohammadi, Khosro; Masoudiasl, Ardavan; Mague, Joel T.; Zangrando, Ennio","The role of weak interactions in the crystal packing of two novel 1D Hg(II) coordination polymers and investigation for preparation of their rod and spherical structures","Inorganica Chimica Acta","2020","501","","119243","","10.1016/j.ica.2019.119243","","","0.71073","MoKα","","0.0549","0.0493","","","0.1315","0.135","","","","","","1.09","","","","has coordinates","271288","2021-12-09","08:56:33",""
"1565608","17.884","0.005","7.323","0.001","16.362","0.003","90","","107.85","0.04","90","","2039.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 Br2 Hg N2 -","- C7 H7 Br2 Hg N2 -","- C56 H56 Br16 Hg8 N16 -","8","1","","Mahmoudi, Ghodrat; Hayati, Payam; Mohammadi, Khosro; Masoudiasl, Ardavan; Mague, Joel T.; Zangrando, Ennio","The role of weak interactions in the crystal packing of two novel 1D Hg(II) coordination polymers and investigation for preparation of their rod and spherical structures","Inorganica Chimica Acta","2020","501","","119243","","10.1016/j.ica.2019.119243","","","0.71073","MoKα","","0.0601","0.0529","","","0.1361","0.1404","","","","","","1.021","","","","has coordinates","271288","2021-12-09","08:56:35",""
"1565609","15.1636","0.0014","9.9282","0.0009","16.9957","0.0015","90","","107.4","0.004","90","","2441.6","0.4","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C120 H96 N16 O8 -","8","2","","Enamullah, Mohammed; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Syntheses, spectroscopy, tautomerism, induced chirality and molecular structure of 3-(o/p-tolylimino)indolin-2-one and bis[3-(o/p-tolylimino)indole-2-olato-κ2N,O]-Δ/Λ-zinc(II)","Inorganica Chimica Acta","2020","501","","119245","","10.1016/j.ica.2019.119245","","","0.71073","MoKα","","0.0785","0.0538","","","0.1352","0.1515","","","","","","1.026","","","","has coordinates,has disorder","271289","2021-12-09","09:00:49",""
"1565610","9.483","0.0004","13.5406","0.0006","13.8231","0.0006","106.312","0.001","100.006","0.001","96.797","0.001","1651.16","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H40 Cl2 Cu F2 N6 O8 -","- C32 H40 Cl2 Cu F2 N6 O8 -","- C64 H80 Cl4 Cu2 F4 N12 O16 -","2","1","","Huang, Yan-Ju; Zhang, Jun","Synthesis and characterization a series of Norfloxacin-transition metal complexes","Inorganica Chimica Acta","2020","501","","119244","","10.1016/j.ica.2019.119244","","","0.71073","MoKα","","0.0471","0.0397","","","0.1097","0.1157","","","","","","1.045","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1565611","12.612","0.002","24.924","0.005","13.54","0.002","90","","101.727","0.003","90","","4167.3","1.2","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C128 H202 F8 Fe4 N24 O69 S4 -","- C128 H202 F8 Fe4 N24 O69 S4 -","- C128 H202 F8 Fe4 N24 O69 S4 -","1","0.25","","Huang, Yan-Ju; Zhang, Jun","Synthesis and characterization a series of Norfloxacin-transition metal complexes","Inorganica Chimica Acta","2020","501","","119244","","10.1016/j.ica.2019.119244","","","0.71073","MoKα","","0.2147","0.0822","","","0.1777","0.2326","","","","","","0.944","","","","has coordinates","271290","2021-12-09","09:09:58",""
"1565612","10.8253","0.001","11.5326","0.0011","13.81","0.0013","90","","96.568","0.002","90","","1712.8","0.3","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C32 H40 F2 N6 O10 Zn -","- C32 H40 F2 N6 O10 Zn -","- C64 H80 F4 N12 O20 Zn2 -","2","0.5","","Huang, Yan-Ju; Zhang, Jun","Synthesis and characterization a series of Norfloxacin-transition metal complexes","Inorganica Chimica Acta","2020","501","","119244","","10.1016/j.ica.2019.119244","","","0.71073","MoKα","","0.077","0.0569","","","0.1443","0.1555","","","","","","1.068","","","","has coordinates","271290","2021-12-09","09:10:12",""
"1565613","5.8215","0.0005","21.6347","0.0015","13.2392","0.0009","90","","100.204","0.002","90","","1641.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Co F2 N6 O7.34 -","- C32 H33.9998 Co F2 N6 O7.3332 -","- C64 H67.9996 Co2 F4 N12 O14.6664 -","2","0.5","","Huang, Yan-Ju; Zhang, Jun","Synthesis and characterization a series of Norfloxacin-transition metal complexes","Inorganica Chimica Acta","2020","501","","119244","","10.1016/j.ica.2019.119244","","","0.71073","MoKα","","0.0989","0.0646","","","0.1733","0.1909","","","","","","1.039","","","","has coordinates","271290","2021-12-09","09:10:23",""
"1565614","11.895","0.005","15.863","0.005","15.918","0.005","90","0.005","90","0.005","90","0.005","3003.6","1.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H40 N4 O4 S2 Zn2 -","- C26 H40 N4 O4 S2 Zn2 -","- C104 H160 N16 O16 S8 Zn8 -","4","0.5","","Nayak, Mousumi; Kumar Singh, Ashish; Prakash, Pradyot; Kant, Rajni; Bhattacharya, Subrato","Structural studies on thiosalicylate complexes of Zn(II) & Hg(II). First insight into Zn(II)-thiosalicylate complex as potential antibacterial, antibiofilm and anti-tumour agent","Inorganica Chimica Acta","2020","501","","119263","","10.1016/j.ica.2019.119263","","","0.71073","MoKα","","0.0816","0.0489","","","0.1073","0.1292","","","","","","1.073","","","","has coordinates","271291","2021-12-09","09:19:23",""
"1565615","12.1384","0.0005","65.81","0.002","11.2189","0.0005","90","","90","","90","","8962","0.6","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C20 H26 Hg N2 O4 S2 -","- C20 H26 Hg N2 O4 S2 -","- C320 H416 Hg16 N32 O64 S32 -","16","1","","Nayak, Mousumi; Kumar Singh, Ashish; Prakash, Pradyot; Kant, Rajni; Bhattacharya, Subrato","Structural studies on thiosalicylate complexes of Zn(II) & Hg(II). First insight into Zn(II)-thiosalicylate complex as potential antibacterial, antibiofilm and anti-tumour agent","Inorganica Chimica Acta","2020","501","","119263","","10.1016/j.ica.2019.119263","","x-ray","1.54184","CuKα","","0.0833","0.0808","","","0.2198","0.2227","","","","","","1.061","","","","has coordinates","271291","2021-12-09","09:19:35",""
"1565616","9.6507","0.0003","9.6875","0.0004","12.4793","0.0005","69.463","0.001","84.019","0.001","60.933","0.001","951.82","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 Mo2 N3 O3 S4 -","- C13 H15 Mo2 N3 O3 S4 -","- C26 H30 Mo4 N6 O6 S8 -","2","1","","Birgisson, Benedikt O.; Monger, Lindsey J.; Damodaran, Krishna K.; Suman, Sigridur G.","Synthesis and characterization of asymmetric [Mo2O2(μ-S)2(S2)(L)] complexes (L = bipy, en, dien) and their heterogeneous reaction with propylene sulfide","Inorganica Chimica Acta","2020","501","","119272","","10.1016/j.ica.2019.119272","","","0.71073","MoKα","","0.0216","0.0177","","","0.0424","0.0438","","","","","","1.052","","","","has coordinates","271292","2021-12-09","09:27:13",""
"1565617","10.8994","0.0004","11.3461","0.0005","12.0068","0.0005","76.495","0.003","79.268","0.003","84.733","0.003","1416.7","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H23 N4 Sb -","- C37 H23 N4 Sb -","- C74 H46 N8 Sb2 -","2","1","","Mondal, Sruti; Garai, Antara; Naik, Pratyush Kumar; Adha, Jogesh Kumar; Kar, Sanjib","Synthesis and characterization of antimony(V)-oxo corrole complexes","Inorganica Chimica Acta","2020","501","","119300","","10.1016/j.ica.2019.119300","","","0.71073","MoKα","","0.0886","0.0515","","","0.1213","0.1425","","","","","","0.894","","","","has coordinates","271293","2021-12-09","09:44:07",""
"1565618","12.4741","0.0008","21.8912","0.001","10.7274","0.0006","90","","99.256","0.005","90","","2891.2","0.3","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H21 N4 Sb -","- C37 H23 N4 Sb -","- C148 H92 N16 Sb4 -","4","1","","Mondal, Sruti; Garai, Antara; Naik, Pratyush Kumar; Adha, Jogesh Kumar; Kar, Sanjib","Synthesis and characterization of antimony(V)-oxo corrole complexes","Inorganica Chimica Acta","2020","501","","119300","","10.1016/j.ica.2019.119300","","x-ray","0.71073","MoKα","","0.0632","0.0374","","","0.0742","0.0813","","","","","","1.024","","","","has coordinates","271293","2021-12-09","09:44:08",""
"1565619","23.249","0.005","30.222","0.006","14.769","0.003","90","","109.87","0.03","90","","9759","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H41.05 Br4 Cl0.95 Co2 N4 O13 -","- C40 H41.05 Br4 Cl0.95 Co2 N4 O13 -","- C320 H328.4 Br32 Cl7.6 Co16 N32 O104 -","8","1","","Dasgupta, Sanchari; Paul, Sanchita; Samanta, Debabrata; Hansda, Sili; Zangrando, Ennio; Das, Debasis","Catalytic promiscuity of two novel cobalt(III) complexes derived from redox non-innocent Schiff base ligands: Unraveling the role of methyl groups in the ligand backbone on catalytic efficiency","Inorganica Chimica Acta","2020","501","","119336","","10.1016/j.ica.2019.119336","","","0.7","synchrotron","","0.082","0.0726","","","0.2098","0.2184","","","","","","0.904","","","","has coordinates,has disorder","271294","2021-12-09","09:50:23",""
"1565620","18.7509","0.0009","18.7509","0.0009","30.2733","0.0015","90","","90","","90","","10644","0.9","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C92 H88 N24 O40 Zn8 -","- C92 H88 N24 O40 Zn8 -","- C368 H352 N96 O160 Zn32 -","4","0.25","","Bharati, Ashok Kumar; Somnath,; Lama, Prem; Siddiqui, Kafeel Ahmad","A novel mixed ligand Zn-coordination polymer: Synthesis, crystal structure, thermogravimetric analysis and photoluminescent properties","Inorganica Chimica Acta","2020","500","","119219","","10.1016/j.ica.2019.119219","","","0.71073","MoKα","","0.0196","0.0181","","","0.0455","0.0462","","","","","","1.03","","","","has coordinates","271295","2021-12-09","09:58:19",""
"1565621","10.4688","0.0009","22.4668","0.0018","17.8123","0.0014","90","","95.062","0.002","90","","4173.1","0.6","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H52 N2 O4 Ru -","- C44 H52 N2 O4 Ru -","- C176 H208 N8 O16 Ru4 -","4","1","","Liu, Kang; Zhang, Junhua; Huo, Shuaicong; Dong, Qing; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Highly efficient oxidation of alcohols catalyzed by Ru(II) carbonyl complexes bearing salicylaldiminato ligands","Inorganica Chimica Acta","2020","500","","119224","","10.1016/j.ica.2019.119224","","","0.71073","MoKα","","0.0808","0.0537","","","0.1133","0.126","","","","","","1.026","","","","has coordinates,has disorder","271296","2021-12-09","10:07:01",""
"1565622","10.749","0.0009","28.936","0.002","14.9381","0.0012","90","","90.768","0.001","90","","4645.8","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H58 Cl2 N2 O4 Ru -","- C47 H58 Cl2 N2 O4 Ru -","- C188 H232 Cl8 N8 O16 Ru4 -","4","0.5","","Liu, Kang; Zhang, Junhua; Huo, Shuaicong; Dong, Qing; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Highly efficient oxidation of alcohols catalyzed by Ru(II) carbonyl complexes bearing salicylaldiminato ligands","Inorganica Chimica Acta","2020","500","","119224","","10.1016/j.ica.2019.119224","","","0.71073","MoKα","","0.0898","0.0645","","","0.1792","0.1942","","","","","","1.067","","","","has coordinates","271297","2021-12-09","10:07:19",""
"1565623","11.568","0.0009","12.887","0.0011","16.036","0.0014","88.271","0.002","73.871","0.001","86.036","0.002","2290.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H56 N2 O6 Ru -","- C46 H56 N2 O6 Ru -","- C92 H112 N4 O12 Ru2 -","2","1","","Liu, Kang; Zhang, Junhua; Huo, Shuaicong; Dong, Qing; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Highly efficient oxidation of alcohols catalyzed by Ru(II) carbonyl complexes bearing salicylaldiminato ligands","Inorganica Chimica Acta","2020","500","","119224","","10.1016/j.ica.2019.119224","","","0.71073","MoKα","","0.0604","0.0452","","","0.1175","0.1286","","","","","","1.029","","","","has coordinates,has disorder","271298","2021-12-09","10:07:29",""
"1565624","11.874","0.0011","12.4289","0.0011","16.5981","0.0015","79.196","0.002","70.252","0.001","71.013","0.001","2171.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Cl2 N2 O4 Ru -","- C44 H50 Cl2 N2 O4 Ru -","- C88 H100 Cl4 N4 O8 Ru2 -","2","1","","Liu, Kang; Zhang, Junhua; Huo, Shuaicong; Dong, Qing; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Highly efficient oxidation of alcohols catalyzed by Ru(II) carbonyl complexes bearing salicylaldiminato ligands","Inorganica Chimica Acta","2020","500","","119224","","10.1016/j.ica.2019.119224","","","0.71073","MoKα","","0.055","0.0403","","","0.1003","0.1071","","","","","","1.063","","","","has coordinates","271299","2021-12-09","10:07:47",""
"1565625","10.742","0.0011","29.067","0.003","14.7649","0.0014","90","","90.801","0.002","90","","4609.7","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 Br2 N2 O4 Ru -","- C44 H50 Br2 N2 O4 Ru -","- C176 H200 Br8 N8 O16 Ru4 -","4","1","","Liu, Kang; Zhang, Junhua; Huo, Shuaicong; Dong, Qing; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Highly efficient oxidation of alcohols catalyzed by Ru(II) carbonyl complexes bearing salicylaldiminato ligands","Inorganica Chimica Acta","2020","500","","119224","","10.1016/j.ica.2019.119224","","","0.71073","MoKα","","0.1928","0.1357","","","0.396","0.4169","","","","","","1.323","","","","has coordinates","271300","2021-12-09","10:08:13",""
"1565626","11.036","0.0009","28.981","0.002","15.075","0.0013","90","","93.387","0.001","90","","4813.1","0.7","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H52 Cl2 F6 N2 O4 Ru -","- C47 H52 Cl2 F6 N2 O4 Ru -","- C188 H208 Cl8 F24 N8 O16 Ru4 -","4","0.5","","Liu, Kang; Zhang, Junhua; Huo, Shuaicong; Dong, Qing; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Highly efficient oxidation of alcohols catalyzed by Ru(II) carbonyl complexes bearing salicylaldiminato ligands","Inorganica Chimica Acta","2020","500","","119224","","10.1016/j.ica.2019.119224","","","0.71073","MoKα","","0.0937","0.0667","","","0.1749","0.1918","","","","","","1.065","","","","has coordinates,has disorder","271301","2021-12-09","10:08:25",""
"1565627","11.2303","0.0005","14.6384","0.0007","15.1708","0.0008","85.237","0.001","70.343","0.001","70.739","0.001","2216.08","0.19","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H58 Cl0 N2 O4 Ru -","- C46 H58 N2 O4 Ru -","- C92 H116 N4 O8 Ru2 -","2","1","","Liu, Kang; Zhang, Junhua; Huo, Shuaicong; Dong, Qing; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Highly efficient oxidation of alcohols catalyzed by Ru(II) carbonyl complexes bearing salicylaldiminato ligands","Inorganica Chimica Acta","2020","500","","119224","","10.1016/j.ica.2019.119224","","","0.71073","MoKα","","0.0316","0.0276","","","0.0818","0.0894","","","","","","1.06","","","","has coordinates","271302","2021-12-09","10:08:38",""
"1565628","11.192","0.0009","14.709","0.0012","15.517","0.0013","84.469","0.002","69.644","0.001","69.009","0.001","2234.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Cl2 N2 O4 Ru -","- C44 H52 Cl2 N2 O4 Ru -","- C88 H104 Cl4 N4 O8 Ru2 -","2","1","","Liu, Kang; Zhang, Junhua; Huo, Shuaicong; Dong, Qing; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Highly efficient oxidation of alcohols catalyzed by Ru(II) carbonyl complexes bearing salicylaldiminato ligands","Inorganica Chimica Acta","2020","500","","119224","","10.1016/j.ica.2019.119224","","","0.71073","MoKα","","0.0664","0.0477","","","0.1226","0.1342","","","","","","1.048","","","","has coordinates","271303","2021-12-09","10:08:49",""
"1565629","11.188","0.0009","14.9191","0.0011","15.6219","0.0012","84.157","0.003","76.936","0.002","69.651","0.001","2380.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H52 F6 N2 O4 Ru -","- C46 H52 F6 N2 O4 Ru -","- C92 H104 F12 N4 O8 Ru2 -","2","1","","Liu, Kang; Zhang, Junhua; Huo, Shuaicong; Dong, Qing; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Highly efficient oxidation of alcohols catalyzed by Ru(II) carbonyl complexes bearing salicylaldiminato ligands","Inorganica Chimica Acta","2020","500","","119224","","10.1016/j.ica.2019.119224","","","0.71073","MoKα","","0.0566","0.0404","","","0.0918","0.0985","","","","","","1.045","","","","has coordinates,has disorder","271304","2021-12-09","10:08:59",""
"1565630","6.8291","0.0004","11.7622","0.0007","12.6198","0.0007","98.886","0.003","94.647","0.003","93.081","0.003","995.97","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H44 O18 Zn2 -","- C38 H44 O18 Zn2 -","- C38 H44 O18 Zn2 -","1","0.5","","Sánchez-Férez, Francisco; Pou, Roger; Bayés-García, Laura; Font-Bardia, Mercè; Pons, Josefina; Ayllón, José A.","Benzoate substituents effects on the structure of Zn(II) complexes and 1D 4,4′-bipyridine derived coordination polymers","Inorganica Chimica Acta","2020","500","","119218","","10.1016/j.ica.2019.119218","","","0.71073","MoKα","","0.0352","0.0248","","","0.0557","0.0596","","","","","","1.022","","","","has coordinates","271305","2021-12-09","10:23:07",""
"1565631","13.2419","0.0007","7.7558","0.0004","15.6016","0.0007","90","","108.253","0.002","90","","1521.68","0.13","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C28 H30 N2 O10 S2 Zn -","- C28 H30 N2 O10 S2 Zn -","- C56 H60 N4 O20 S4 Zn2 -","2","1","","Sánchez-Férez, Francisco; Pou, Roger; Bayés-García, Laura; Font-Bardia, Mercè; Pons, Josefina; Ayllón, José A.","Benzoate substituents effects on the structure of Zn(II) complexes and 1D 4,4′-bipyridine derived coordination polymers","Inorganica Chimica Acta","2020","500","","119218","","10.1016/j.ica.2019.119218","","","0.71073","MoKα","","0.0765","0.0376","","","0.0612","0.0759","","","","","","1.097","","","","has coordinates","271306","2021-12-09","10:23:42",""
"1565632","10.6316","0.0006","11.6986","0.0007","14.0895","0.0008","96.653","0.002","102.794","0.002","111.997","0.002","1545.7","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H56 N8 O17 Zn2 -","- C69 H56 N8 O17 Zn2 -","- C69 H56 N8 O17 Zn2 -","1","0.5","","Sánchez-Férez, Francisco; Pou, Roger; Bayés-García, Laura; Font-Bardia, Mercè; Pons, Josefina; Ayllón, José A.","Benzoate substituents effects on the structure of Zn(II) complexes and 1D 4,4′-bipyridine derived coordination polymers","Inorganica Chimica Acta","2020","500","","119218","","10.1016/j.ica.2019.119218","","","0.71073","MoKα","","0.0458","0.0371","","","0.099","0.1038","","","","","","1.064","","","","has coordinates,has disorder","271307","2021-12-09","10:23:58",""
"1565633","23.016","0.0014","27.8171","0.0015","8.7942","0.0005","90","","102.896","0.002","90","","5488.4","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 N2 O9 Zn -","- C28 H28 N2 O9 Zn -","- C224 H224 N16 O72 Zn8 -","8","1","","Sánchez-Férez, Francisco; Pou, Roger; Bayés-García, Laura; Font-Bardia, Mercè; Pons, Josefina; Ayllón, José A.","Benzoate substituents effects on the structure of Zn(II) complexes and 1D 4,4′-bipyridine derived coordination polymers","Inorganica Chimica Acta","2020","500","","119218","","10.1016/j.ica.2019.119218","","","0.71073","MoKα","","0.0686","0.0406","","","0.0868","0.0958","","","","","","1.049","","","","has coordinates","271308","2021-12-09","10:24:17",""
"1565634","9.5294","0.0006","11.8851","0.0005","16.5721","0.0009","91.86","0.004","91.189","0.005","106.871","0.005","1794.3","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H66 Cu2 N2 O9 P4 -","- C86 H66 Cu2 N2 O9 P4 -","- C86 H66 Cu2 N2 O9 P4 -","1","0.5","","Moschovitis, K.; Banti, C.N.; Kourkoumelis, N.; Moushi, E.E.; Lazarides, T.; Hadjikakou, S.K.","Fluorescence of copper(I) and mixed valence copper(I/II) complexes with dipicolinic acid and their catalytic activity on catechol oxidation","Inorganica Chimica Acta","2020","500","","119209","","10.1016/j.ica.2019.119209","","","0.71073","MoKα","","0.0867","0.0575","","","0.1061","0.1256","","","","","","1.011","","","","has coordinates,has disorder","271309","2021-12-09","10:32:34",""
"1565635","19.647","0.0004","20.4675","0.0003","32.2455","0.0006","90","","96.697","0.002","90","","12878.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C126 H108 Cu3 N2 O10 P6 S2 -","- C126 H108 Cu3 N2 O10 P6 S2 -","- C504 H432 Cu12 N8 O40 P24 S8 -","4","1","","Moschovitis, K.; Banti, C.N.; Kourkoumelis, N.; Moushi, E.E.; Lazarides, T.; Hadjikakou, S.K.","Fluorescence of copper(I) and mixed valence copper(I/II) complexes with dipicolinic acid and their catalytic activity on catechol oxidation","Inorganica Chimica Acta","2020","500","","119209","","10.1016/j.ica.2019.119209","","","1.54184","CuKα","","0.08","0.0675","","","0.176","0.1837","","","","","","0.959","","","","has coordinates","271309","2021-12-09","10:32:35",""
"1565636","18.9026","0.0006","9.7615","0.0003","26.2615","0.0009","90","","109.512","0.004","90","","4567.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H45 Cl2 Cu2 P3 -","- C54 H45 Cl2 Cu2 P3 -","- C216 H180 Cl8 Cu8 P12 -","4","1","","Moschovitis, K.; Banti, C.N.; Kourkoumelis, N.; Moushi, E.E.; Lazarides, T.; Hadjikakou, S.K.","Fluorescence of copper(I) and mixed valence copper(I/II) complexes with dipicolinic acid and their catalytic activity on catechol oxidation","Inorganica Chimica Acta","2020","500","","119209","","10.1016/j.ica.2019.119209","","","1.54184","CuKα","","0.0585","0.0431","","","0.1099","0.1237","","","","","","1.021","","","","has coordinates","271309","2021-12-09","10:32:35",""
"1565637","10.2819","0.0003","15.8749","0.0004","39.0934","0.0015","90","","90","","90","","6381","0.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 N3 Ni O2 P -","- C36 H34 N3 Ni O2 P -","- C288 H272 N24 Ni8 O16 P8 -","8","2","","Layek, Samaresh; Agrahari, Bhumika; Kumar, Akash; Dege, Necmi; Pathak, Devendra D.","Synthesis and X-ray crystal structures of three new nickel(II) complexes of benzoylhydrazones: Catalytic applications in the synthesis of 2-arylbenzoxazoles","Inorganica Chimica Acta","2020","500","","119222","","10.1016/j.ica.2019.119222","","","0.71073","MoKα","","0.0816","0.0524","","","0.1159","0.1271","","","","","","0.927","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1565638","8.5892","0.0003","24.3456","0.0012","10.7224","0.0004","90","","95.607","0.003","90","","2231.43","0.16","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N4 Ni O2 -","- C24 H26 N4 Ni O2 -","- C96 H104 N16 Ni4 O8 -","4","1","","Layek, Samaresh; Agrahari, Bhumika; Kumar, Akash; Dege, Necmi; Pathak, Devendra D.","Synthesis and X-ray crystal structures of three new nickel(II) complexes of benzoylhydrazones: Catalytic applications in the synthesis of 2-arylbenzoxazoles","Inorganica Chimica Acta","2020","500","","119222","","10.1016/j.ica.2019.119222","","","0.71073","MoKα","","0.0565","0.0331","","","0.0747","0.0803","","","","","","0.941","","","","has coordinates","271310","2021-12-09","10:48:01",""
"1565639","15.137","0.0008","6.0223","0.0003","21.6711","0.001","90","","95.678","0.002","90","","1965.84","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N3 Ni O2 -","- C24 H19 N3 Ni O2 -","- C96 H76 N12 Ni4 O8 -","4","1","","Layek, Samaresh; Agrahari, Bhumika; Kumar, Akash; Dege, Necmi; Pathak, Devendra D.","Synthesis and X-ray crystal structures of three new nickel(II) complexes of benzoylhydrazones: Catalytic applications in the synthesis of 2-arylbenzoxazoles","Inorganica Chimica Acta","2020","500","","119222","","10.1016/j.ica.2019.119222","","","1.54178","CuKα","","0.0538","0.0313","","","0.0964","0.1084","","","","","","1.052","","","","has coordinates","271310","2021-12-09","10:48:12",""
"1565643","9.9509","0.0004","10.7756","0.0006","12.2089","0.0007","75.073","0.005","86.887","0.004","68.26","0.005","1173.74","0.12","292.9","0.1","292.9","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 Co2 N2 O10 -","- C21 H26 Co2 N2 O10 -","- C42 H52 Co4 N4 O20 -","2","1","","Pu, Lu-Mei; Yu, Meng; Zhang, Yu; Long, Hai-Tao; Xu, Wei-Bing; Dong, Wen-Kui","Tetranuclear cobalt(II) and nickel(II) complexes with an unsymmetrical salamo-like ligand: Structural characterization, Hirshfeld analysis and fluorescent properties","Inorganica Chimica Acta","2020","500","","119238","","10.1016/j.ica.2019.119238","","x-ray","0.71073","MoKα","","0.0484","0.039","","","0.0812","0.0889","","","","","","1.033","","","","has coordinates","271319","2021-12-10","08:34:14",""
"1565644","13.3288","0.0002","13.447","0.0003","14.506","0.0003","90","","112.373","0.001","90","","2404.24","0.08","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 N6 Ni4 O18 -","- C44 H48 N6 Ni4 O18 -","- C88 H96 N12 Ni8 O36 -","2","0.5","","Pu, Lu-Mei; Yu, Meng; Zhang, Yu; Long, Hai-Tao; Xu, Wei-Bing; Dong, Wen-Kui","Tetranuclear cobalt(II) and nickel(II) complexes with an unsymmetrical salamo-like ligand: Structural characterization, Hirshfeld analysis and fluorescent properties","Inorganica Chimica Acta","2020","500","","119238","","10.1016/j.ica.2019.119238","","","0.71073","MoKα","","0.057","0.0414","","","0.1133","0.1229","","","","","","1.091","","","","has coordinates","271319","2021-12-10","08:34:19",""
"1565645","12.7237","0.0007","14.7337","0.0006","15.8914","0.0008","68.71","0.002","86.308","0.002","66.439","0.002","2533","0.2","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H47 Dy2 N7 O12 -","- C52 H47 Dy2 N7 O12 -","- C104 H94 Dy4 N14 O24 -","2","1","","Li, Xiu-Hua; Li, Meng; Gao, Ning; Wei, Hai-Ying; Hou, Yin-Ling; Wu, Zhi-Lei","Solvent-driven structures and slow magnetic relaxation behaviors of dinuclear dysprosium clusters","Inorganica Chimica Acta","2020","500","","119242","","10.1016/j.ica.2019.119242","","","0.71073","MoKα","","0.1026","0.0471","","","0.0861","0.1114","","","","","","1.094","","","","has coordinates","271320","2021-12-10","08:41:41",""
"1565646","14.2737","0.0007","15.2603","0.0008","15.2603","0.0008","71.83","","86.193","0.002","86.193","0.002","3147.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H60 Dy2 N6 O14 -","- C67 H60 Dy2 N6 O14 -","- C134 H120 Dy4 N12 O28 -","2","1","","Li, Xiu-Hua; Li, Meng; Gao, Ning; Wei, Hai-Ying; Hou, Yin-Ling; Wu, Zhi-Lei","Solvent-driven structures and slow magnetic relaxation behaviors of dinuclear dysprosium clusters","Inorganica Chimica Acta","2020","500","","119242","","10.1016/j.ica.2019.119242","","","0.71073","MoKα","","0.0403","0.027","","","0.053","0.0575","","","","","","1.007","","","","has coordinates","271321","2021-12-10","08:42:17",""
"1565647","17.034","0.0008","9.273","0.0004","19.0118","0.0009","90","","90.381","0.001","90","","3003","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 Dy2 N6 O12 -","- C54 H52 Dy2 N6 O12 -","- C108 H104 Dy4 N12 O24 -","2","0.5","","Li, Xiu-Hua; Li, Meng; Gao, Ning; Wei, Hai-Ying; Hou, Yin-Ling; Wu, Zhi-Lei","Solvent-driven structures and slow magnetic relaxation behaviors of dinuclear dysprosium clusters","Inorganica Chimica Acta","2020","500","","119242","","10.1016/j.ica.2019.119242","","","0.71073","MoKα","","0.1121","0.0856","","","0.2218","0.2398","","","","","","1.011","","","","has coordinates","271322","2021-12-10","08:42:35",""
"1565648","8.0426","0.0004","13.5955","0.0007","20.1611","0.001","90","","92.723","0.002","90","","2201.99","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Cl2 Cu3 N8 O18 -","- C32 H56 Cl2 Cu3 N8 O18 -","- C64 H112 Cl4 Cu6 N16 O36 -","2","0.5","","Louka, Febee R.; Haq, Sabriah J.; Guidry, Hollie R.; Williams, Bailey R.; Henary, Maher M.; Fischer, Roland C.; Torvisco, Ana; Massoud, Salah S.; Mautner, Franz A.","Polynuclear and coordination polymers of copper(II) complexes assembled by flexible polyamines and bridging rigid N-heterocyclic multicarboxylates","Inorganica Chimica Acta","2020","500","","119240","","10.1016/j.ica.2019.119240","","","0.71073","MoKα","","0.0503","0.0437","","","0.1151","0.1196","","","","","","1.03","","","","has coordinates","271323","2021-12-10","08:55:42",""
"1565649","14.2688","0.0012","7.9693","0.0007","14.627","0.0012","90","","117.759","0.003","90","","1471.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H40 Cu3 N10 O14 -","- C18 H40 Cu3 N10 O14 -","- C36 H80 Cu6 N20 O28 -","2","0.5","","Louka, Febee R.; Haq, Sabriah J.; Guidry, Hollie R.; Williams, Bailey R.; Henary, Maher M.; Fischer, Roland C.; Torvisco, Ana; Massoud, Salah S.; Mautner, Franz A.","Polynuclear and coordination polymers of copper(II) complexes assembled by flexible polyamines and bridging rigid N-heterocyclic multicarboxylates","Inorganica Chimica Acta","2020","500","","119240","","10.1016/j.ica.2019.119240","","","0.71073","MoKα","","0.0466","0.0359","","","0.0855","0.0933","","","","","","1.059","","","","has coordinates","271323","2021-12-10","08:55:47",""
"1565650","7.8091","0.0002","11.1617","0.0003","13.1597","0.0004","109.477","0.001","96.25","0.002","101.096","0.002","1042.46","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H54 Cl2 Cu3 N10 O16 -","- C32 H54 Cl2 Cu3 N10 O16 -","- C32 H54 Cl2 Cu3 N10 O16 -","1","0.5","","Louka, Febee R.; Haq, Sabriah J.; Guidry, Hollie R.; Williams, Bailey R.; Henary, Maher M.; Fischer, Roland C.; Torvisco, Ana; Massoud, Salah S.; Mautner, Franz A.","Polynuclear and coordination polymers of copper(II) complexes assembled by flexible polyamines and bridging rigid N-heterocyclic multicarboxylates","Inorganica Chimica Acta","2020","500","","119240","","10.1016/j.ica.2019.119240","","","0.71073","MoKα","","0.0311","0.024","","","0.0589","0.0615","","","","","","0.926","","","","has coordinates","271323","2021-12-10","08:55:48",""
"1565651","28.2935","0.0017","16.0983","0.001","9.4738","0.0005","90","","90","","90","","4315.1","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","Cu(2,5-pydc)(L)(ClO4)(H2O)","","","- C35 H51 Cl2 Cu2 N11 O13 -","- C35 H51 Cl2 Cu2 N11 O13 -","- C140 H204 Cl8 Cu8 N44 O52 -","4","1","","Louka, Febee R.; Haq, Sabriah J.; Guidry, Hollie R.; Williams, Bailey R.; Henary, Maher M.; Fischer, Roland C.; Torvisco, Ana; Massoud, Salah S.; Mautner, Franz A.","Polynuclear and coordination polymers of copper(II) complexes assembled by flexible polyamines and bridging rigid N-heterocyclic multicarboxylates","Inorganica Chimica Acta","2020","500","","119240","","10.1016/j.ica.2019.119240","","","0.71073","MoKα","","0.0664","0.0438","","","0.0887","0.0975","","","","","","1.022","","","","has coordinates,has disorder","271323","2021-12-10","08:55:48",""
"1565652","7.7746","0.0002","27.9151","0.0009","10.9829","0.0004","90","","100.812","0.001","90","","2341.29","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Cu(bdmpzpy)(2,6-pydc)]1.5H2O","","","- C24 H27 Cu N6 O5.5 -","- C24 H27 Cu N6 O5.5 -","- C96 H108 Cu4 N24 O22 -","4","2","","Louka, Febee R.; Haq, Sabriah J.; Guidry, Hollie R.; Williams, Bailey R.; Henary, Maher M.; Fischer, Roland C.; Torvisco, Ana; Massoud, Salah S.; Mautner, Franz A.","Polynuclear and coordination polymers of copper(II) complexes assembled by flexible polyamines and bridging rigid N-heterocyclic multicarboxylates","Inorganica Chimica Acta","2020","500","","119240","","10.1016/j.ica.2019.119240","","","0.71073","MoKα","","0.0255","0.0245","","","0.0645","0.065","","","","","","1.065","","","","has coordinates","275434","2022-05-16","05:31:59",""
"1565653","15.0088","0.0006","15.0088","0.0006","14.5806","0.0013","90","","90","","90","","3284.5","0.3","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H6 N2 O12 Tb1.38 -","- C14 H6 N2 O12 Tb1.375 -","- C112 H48 N16 O96 Tb11 -","8","1","","Yotnoi, Bunlawee; Sinchow, Malee; Ngamjarurojana, Athipong; Rujiwatra, Apinpus","Crystal structures and photoluminescent properties of highly disordering lanthanide-2,5-pyridinedicarboxylate frameworks","Inorganica Chimica Acta","2020","500","","119236","","10.1016/j.ica.2019.119236","","x-ray","0.71073","MoKα","","0.0375","0.0355","","","0.0857","0.0875","","","","","","1.041","","","","has coordinates,has disorder","271324","2021-12-10","09:02:58",""
"1565654","14.9801","0.0002","14.9801","0.0002","14.6127","0.0003","90","","90","","90","","3279.14","0.09","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H6 Ho1.38 N2 O12 -","- C14 H6 Ho1.375 N2 O12 -","- C112 H48 Ho11 N16 O96 -","8","1","","Yotnoi, Bunlawee; Sinchow, Malee; Ngamjarurojana, Athipong; Rujiwatra, Apinpus","Crystal structures and photoluminescent properties of highly disordering lanthanide-2,5-pyridinedicarboxylate frameworks","Inorganica Chimica Acta","2020","500","","119236","","10.1016/j.ica.2019.119236","","x-ray","0.71073","MoKα","","0.0346","0.0335","","","0.0861","0.0871","","","","","","1.055","","","","has coordinates,has disorder","271324","2021-12-10","09:02:59",""
"1565655","14.951","0.0002","14.951","0.0002","14.61","0.0003","90","","90","","90","","3265.81","0.09","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H6 Er1.38 N2 O12 -","- C14 H6 Er1.375 N2 O12 -","- C112 H48 Er11 N16 O96 -","8","1","","Yotnoi, Bunlawee; Sinchow, Malee; Ngamjarurojana, Athipong; Rujiwatra, Apinpus","Crystal structures and photoluminescent properties of highly disordering lanthanide-2,5-pyridinedicarboxylate frameworks","Inorganica Chimica Acta","2020","500","","119236","","10.1016/j.ica.2019.119236","","x-ray","0.71073","MoKα","","0.0368","0.0349","","","0.0838","0.0851","","","","","","1.05","","","","has coordinates,has disorder","271324","2021-12-10","09:02:59",""
"1565656","18.0407","0.0016","7.3919","0.0006","7.3131","0.0005","90","","100.146","0.002","90","","959.99","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl6 Cu N4 -","- C12 H16 Cl6 Cu N4 -","- C24 H32 Cl12 Cu2 N8 -","2","0.5","","Shakirova, Olga; Protsenko, Alexandra; Protsenko, Alexander; Kuratieva, Natalia; Fowles, Samantha; Turnbull, Mark M.","Syntheses, structures and properties of copper(II) and cobalt(II) complexes with 5(3)-amino-2-chloro-3(5)-methylpyridine isomer cations","Inorganica Chimica Acta","2020","500","","119246","","10.1016/j.ica.2019.119246","","x-ray","0.71073","MoKα","","0.0287","0.0259","","","0.0628","0.0639","","","","","","1.096","","","","has coordinates,has disorder","271325","2021-12-10","09:16:31",""
"1565657","7.0774","0.0015","7.9387","0.0018","9.1489","0.0019","85.183","0.007","89.169","0.006","89.977","0.007","512.16","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 Cl6 Cu N4 O2 -","- C12 H20 Cl6 Cu N4 O2 -","- C12 H20 Cl6 Cu N4 O2 -","1","0.5","","Shakirova, Olga; Protsenko, Alexandra; Protsenko, Alexander; Kuratieva, Natalia; Fowles, Samantha; Turnbull, Mark M.","Syntheses, structures and properties of copper(II) and cobalt(II) complexes with 5(3)-amino-2-chloro-3(5)-methylpyridine isomer cations","Inorganica Chimica Acta","2020","500","","119246","","10.1016/j.ica.2019.119246","","x-ray","0.71073","MoKα","","0.0233","0.0218","","","0.0604","0.0613","","","","","","1.076","","","","has coordinates","271325","2021-12-10","09:16:36",""
"1565658","7.167","0.0017","8.721","0.002","16.269","0.004","82.437","0.008","80.791","0.008","77.885","0.008","976.3","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 Cl6 Cu N4 O -","- C12 H18 Cl6 Cu N4 O -","- C24 H36 Cl12 Cu2 N8 O2 -","2","1","","Shakirova, Olga; Protsenko, Alexandra; Protsenko, Alexander; Kuratieva, Natalia; Fowles, Samantha; Turnbull, Mark M.","Syntheses, structures and properties of copper(II) and cobalt(II) complexes with 5(3)-amino-2-chloro-3(5)-methylpyridine isomer cations","Inorganica Chimica Acta","2020","500","","119246","","10.1016/j.ica.2019.119246","","x-ray","0.71073","MoKα","","0.0305","0.0249","","","0.06","0.0618","","","","","","1.067","","","","has coordinates","271325","2021-12-10","09:16:39",""
"1565659","8.732","0.003","9.132","0.003","9.792","0.003","105.909","0.009","102.298","0.009","111.663","0.01","653.3","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 Cl4 Cu N2 -","- C9 H12 Cl4 Cu N2 -","- C18 H24 Cl8 Cu2 N4 -","2","1","","Shakirova, Olga; Protsenko, Alexandra; Protsenko, Alexander; Kuratieva, Natalia; Fowles, Samantha; Turnbull, Mark M.","Syntheses, structures and properties of copper(II) and cobalt(II) complexes with 5(3)-amino-2-chloro-3(5)-methylpyridine isomer cations","Inorganica Chimica Acta","2020","500","","119246","","10.1016/j.ica.2019.119246","","x-ray","0.71073","MoKα","","0.0261","0.0228","","","0.0557","0.0571","","","","","","1.048","","","","has coordinates","271325","2021-12-10","09:16:53",""
"1565660","7.3697","0.0018","9.367","0.002","14.889","0.004","92.253","0.007","95.743","0.008","111.363","0.006","949.2","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Cl6 Co N4 -","- C12 H16 Cl6 Co N4 -","- C24 H32 Cl12 Co2 N8 -","2","1","","Shakirova, Olga; Protsenko, Alexandra; Protsenko, Alexander; Kuratieva, Natalia; Fowles, Samantha; Turnbull, Mark M.","Syntheses, structures and properties of copper(II) and cobalt(II) complexes with 5(3)-amino-2-chloro-3(5)-methylpyridine isomer cations","Inorganica Chimica Acta","2020","500","","119246","","10.1016/j.ica.2019.119246","","x-ray","0.71073","MoKα","","0.0246","0.0218","","","0.0547","0.0559","","","","","","1.066","","","","has coordinates","271325","2021-12-10","09:16:54",""
"1565675","14.32","0.004","16.428","0.004","16.311","0.004","90","","100.123","0.007","90","","3777.4","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cu N4 -","- C22 H22 Cu N4 -","- C176 H176 Cu8 N32 -","8","2","","Mondal, Rakesh; Chakraborty, Gargi; van Vliet, Kaj M.; van Leest, Nicolaas P.; de Bruin, Bas; Paul, Nanda D.","Copper-catalyzed oxidative dehydrogenative functionalization of alkanes to allylic esters","Inorganica Chimica Acta","2020","500","","119190","","10.1016/j.ica.2019.119190","","","0.71073","MoKα","","0.0641","0.0497","","","0.1148","0.1202","","","","","","1.68","","","","has coordinates","271350","2021-12-13","08:50:35",""
"1565676","8.128","0.0008","10.0921","0.001","11.5611","0.0011","81.617","0.003","71.377","0.003","69.912","0.003","843.32","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl4 Cu2 N4 O4 -","- C32 H32 Cl4 Cu2 N4 O4 -","- C32 H32 Cl4 Cu2 N4 O4 -","1","0.5","","Mukherjee, Aparajita; Basu, Semanti; Bhattacharya, Samaresh","Copper complexes of 1,4-diazabutadiene ligands: Tuning of metal oxidation state and, application in catalytic C-C and C-N bond formation","Inorganica Chimica Acta","2020","500","","119228","","10.1016/j.ica.2019.119228","","","0.71073","MoKα","","0.073","0.0479","","","0.1298","0.1507","","","","","","0.896","","","","has coordinates","271351","2021-12-13","08:54:49",""
"1565677","8.013","0.0014","11.717","0.002","34.489","0.007","90","","95.018","0.011","90","","3225.7","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Cl2 Cu2 N4 O4 -","- C32 H32 Cl2 Cu2 N4 O4 -","- C128 H128 Cl8 Cu8 N16 O16 -","4","1","","Mukherjee, Aparajita; Basu, Semanti; Bhattacharya, Samaresh","Copper complexes of 1,4-diazabutadiene ligands: Tuning of metal oxidation state and, application in catalytic C-C and C-N bond formation","Inorganica Chimica Acta","2020","500","","119228","","10.1016/j.ica.2019.119228","","","0.71073","MoKα","","0.1912","0.0633","","","0.1368","0.1833","","","","","","0.921","","","","has coordinates","271351","2021-12-13","08:54:52",""
"1565678","24.7944","0.001","8.0362","0.0003","8.6956","0.0004","90","","90","","90","","1732.62","0.12","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H20 Mn N2 O4 -","- C19 H20 Mn N2 O4 -","- C76 H80 Mn4 N8 O16 -","4","0.5","","Banerjee, Saikat; Ghorai, Pravat; Sarkar, Papiya; Panja, Anangamohan; Saha, Amrita","A rare flattened tetrahedral Mn(II) salen type complex: Synthesis, crystal structure, biomimetic catalysis and DFT study","Inorganica Chimica Acta","2020","499","","119176","","10.1016/j.ica.2019.119176","","","0.71073","MoKα","","0.0585","0.0477","","","0.1495","0.1598","","","","","","1.061","","","","has coordinates","271352","2021-12-13","08:59:22",""
"1565679","9.7089","0.0004","9.7089","0.0004","14.5943","0.0016","90","","90","","90","","1375.7","0.17","150","2","150","2","","","","","","","","6","P -4","P -4","81","","","","- Cl H57 Mo8 N12 O56.5 P9 -","- Cl H57 Mo8 N12 O56.5 P9 -","- Cl H57 Mo8 N12 O56.5 P9 -","1","0.25","","Jiang, Zhongqi; Chen, Wenqiang; Jing, Qun; Lee, Ming-Hsien; Chen, Zhaohui","[NH4]12[(MoO2)2O(HPO4)2]4[PO4]Cl·0.5H2O: A mixed phosphomolybdate with nonlinear optical properties","Inorganica Chimica Acta","2020","499","","119198","","10.1016/j.ica.2019.119198","","","0.71073","MoKα","","0.0142","0.0139","","","0.0341","0.0342","","","","","","1.116","","","","has coordinates","271353","2021-12-13","09:04:51",""
"1565680","16.742","0.003","19.257","0.004","19.408","0.004","69.79","0.03","72.86","0.03","75","0.03","5524","2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H222 Gd12 N18 O89 Zn -","- C128 H206 Gd12 N18 O89 Zn -","- C128 H206 Gd12 N18 O89 Zn -","1","0.5","","Zhang, Lun; Yang, Pei-Pei; Li, Ling-Fei; Hu, Yi-Ye; Mei, Xue-Lan","A tridecanuclear {ZnGd12} nanoscopic cluster exhibiting large magnetocaloric effect","Inorganica Chimica Acta","2020","499","","119170","","10.1016/j.ica.2019.119170","","","0.71073","MoKα","","0.0731","0.0602","","","0.1635","0.1751","","","","","","1.084","","","","has coordinates,has disorder","271354","2021-12-13","09:18:28",""
"1565681","8.9367","0.0018","20.542","0.004","11.815","0.002","90","","111.47","0.03","90","","2018.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Cl Cu N4 O5 -","- C19 H19 Cl Cu N4 O5 -","- C76 H76 Cl4 Cu4 N16 O20 -","4","1","","Albobaledi, Zeinab; Hasanzadeh Esfahani, Maryam; Behzad, Mahdi; Abbasi, Alireza","Mixed ligand Cu(II) complexes of an unsymmetrical Schiff base ligand and N-donor heterocyclic co-ligands: Investigation of the effect of co-ligand on the antibacterial properties","Inorganica Chimica Acta","2020","499","","119185","","10.1016/j.ica.2019.119185","","x-ray","0.71073","MoKα","","0.0807","0.0744","","","0.1811","0.1852","","","","","","1.166","","","","has coordinates,has disorder","271355","2021-12-13","09:26:12",""
"1565682","10.536","0.002","19.632","0.004","13.927","0.003","90","","90","","90","","2880.7","1","293","2","293.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H35 Cl Cu N4 O5 -","- C27 H35 Cl Cu N4 O5 -","- C108 H140 Cl4 Cu4 N16 O20 -","4","1","","Albobaledi, Zeinab; Hasanzadeh Esfahani, Maryam; Behzad, Mahdi; Abbasi, Alireza","Mixed ligand Cu(II) complexes of an unsymmetrical Schiff base ligand and N-donor heterocyclic co-ligands: Investigation of the effect of co-ligand on the antibacterial properties","Inorganica Chimica Acta","2020","499","","119185","","10.1016/j.ica.2019.119185","","x-ray","0.71073","MoKα","","0.0533","0.0498","","","0.1302","0.1336","","","","","","1.089","","","","has coordinates","271355","2021-12-13","09:26:13",""
"1565683","9.5607","0.0004","17.4051","0.0006","18.0161","0.0007","112.117","0.004","97.937","0.003","103.094","0.003","2621","0.2","250","0.1","250","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C60 H56 Mn2 N8 O8 -","- C60 H56 Mn2 N8 O8 -","- C120 H112 Mn4 N16 O16 -","2","1","","Yuan, Fei; Yu, Hong-Shuai; Yuan, Chun-Mei; Zhou, Chun-Sheng; Li, Fei; Lu, Yu-Jiao; Ling, Xin-Yu; Wang, Jun; Singh, Amita; Kumar, Abhinav","Structures and photocatalytic properties of two Mn(II)-based coordination polymers","Inorganica Chimica Acta","2020","499","","119189","","10.1016/j.ica.2019.119189","","x-ray","1.54184","CuKα","","0.0692","0.0495","","","0.1215","0.1375","","","","","","1.029","","","","has coordinates","271356","2021-12-13","09:36:09",""
"1565684","8.4628","0.0004","10.6899","0.0004","30.5521","0.0015","90","","97.393","0.005","90","","2741","0.2","250","0.1","250","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Mn N4 O4 -","- C32 H28 Mn N4 O4 -","- C128 H112 Mn4 N16 O16 -","4","1","","Yuan, Fei; Yu, Hong-Shuai; Yuan, Chun-Mei; Zhou, Chun-Sheng; Li, Fei; Lu, Yu-Jiao; Ling, Xin-Yu; Wang, Jun; Singh, Amita; Kumar, Abhinav","Structures and photocatalytic properties of two Mn(II)-based coordination polymers","Inorganica Chimica Acta","2020","499","","119189","","10.1016/j.ica.2019.119189","","x-ray","1.54184","CuKα","","0.1847","0.142","","","0.3695","0.3996","","","","","","1.057","","","","has coordinates","271356","2021-12-13","09:36:11",""
"1565685","9.218","0.0009","14.5123","0.0015","21.0281","0.0019","90","","95.843","0.004","90","","2798.4","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Cd N4 O5 -","- C26 H36 Cd N4 O5 -","- C104 H144 Cd4 N16 O20 -","4","1","","Zhao, Fang-Hua; Huang, Long-Wei; He, Yuan-Chun; Yan, Xiao-Qing; Li, Zhong-Lin; Jia, Xin-Meng; Feng, Rui; Li, Jia-Xing; You, Jin-Mao","Two entangled Cd(II) MOFs of sebacic acid and bis(2-methyl-imidazole) ligands for selective sensing of Fe3+","Inorganica Chimica Acta","2020","499","","119184","","10.1016/j.ica.2019.119184","","","0.71073","MoKα","","0.0877","0.0666","","","0.1729","0.1998","","","","","","1.091","","","","has coordinates","271357","2021-12-13","09:45:45",""
"1565686","11.1864","0.0007","11.5213","0.0007","11.567","0.0007","110.794","0.003","107.596","0.003","91.783","0.003","1312.34","0.15","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H34 Cd N4 O4 -","- C26 H34 Cd N4 O4 -","- C52 H68 Cd2 N8 O8 -","2","1","","Zhao, Fang-Hua; Huang, Long-Wei; He, Yuan-Chun; Yan, Xiao-Qing; Li, Zhong-Lin; Jia, Xin-Meng; Feng, Rui; Li, Jia-Xing; You, Jin-Mao","Two entangled Cd(II) MOFs of sebacic acid and bis(2-methyl-imidazole) ligands for selective sensing of Fe3+","Inorganica Chimica Acta","2020","499","","119184","","10.1016/j.ica.2019.119184","","","0.71073","MoKα","","0.0539","0.0367","","","0.0719","0.078","","","","","","1.024","","","","has coordinates","271357","2021-12-13","09:45:49",""
"1565687","9.253","0.007","9.338","0.007","11.101","0.009","66.54","0.01","66.118","0.01","66.799","0.009","773","1","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H24 Cu2 F2 N6 O11 -","- C29 H24 Cu2 F2 N6 O11 -","- C29 H24 Cu2 F2 N6 O11 -","1","0.5","","Jiang, Shengshi; Ni, Honghui; Liu, Fen; Gu, Shanshan; Yu, Ping; Gou, Yi","Binuclear Schiff base copper(II) complexes: Syntheses, crystal structures, HSA interaction and anti-cancer properties","Inorganica Chimica Acta","2020","499","","119186","","10.1016/j.ica.2019.119186","","","0.71073","MoKα","","0.0525","0.048","","","0.1537","0.1598","","","","","","1.065","","","","has coordinates,has disorder","271358","2021-12-13","09:51:19",""
"1565688","7.4839","0.0013","10.6238","0.0018","11.0673","0.0019","102.591","0.003","95.889","0.002","98.472","0.002","841.1","0.3","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 Cl2 Cu2 N6 O12 -","- C30 H28 Cl2 Cu2 N6 O12 -","- C30 H28 Cl2 Cu2 N6 O12 -","1","0.5","","Jiang, Shengshi; Ni, Honghui; Liu, Fen; Gu, Shanshan; Yu, Ping; Gou, Yi","Binuclear Schiff base copper(II) complexes: Syntheses, crystal structures, HSA interaction and anti-cancer properties","Inorganica Chimica Acta","2020","499","","119186","","10.1016/j.ica.2019.119186","","","0.71073","MoKα","","0.0353","0.0292","","","0.081","0.0845","","","","","","1.072","","","","has coordinates","271358","2021-12-13","09:51:30",""
"1565689","9.4084","0.0014","14.848","0.002","13.645","0.002","90","","106.503","0.002","90","","1827.6","0.5","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Br2 Cu2 N6 O12 -","- C32 H30 Br2 Cu2 N6 O12 -","- C64 H60 Br4 Cu4 N12 O24 -","2","0.5","","Jiang, Shengshi; Ni, Honghui; Liu, Fen; Gu, Shanshan; Yu, Ping; Gou, Yi","Binuclear Schiff base copper(II) complexes: Syntheses, crystal structures, HSA interaction and anti-cancer properties","Inorganica Chimica Acta","2020","499","","119186","","10.1016/j.ica.2019.119186","","","0.71073","MoKα","","0.0516","0.0366","","","0.0898","0.0984","","","","","","1.059","","","","has coordinates","271358","2021-12-13","09:51:33",""
"1565690","11.91","0.005","16.937","0.008","23.503","0.01","97.778","0.019","93.331","0.01","103.871","0.008","4540","3","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H60 Br2 F36 Gd2 N8 O20 -","- C70 H60 Br2 F36 Gd2 N8 O20 -","- C140 H120 Br4 F72 Gd4 N16 O40 -","2","1","","Li, Hongdao; Xie, Jing; Xi, Lu; Zhai, Lijun; Niu, Yulan","Nitronyl nitroxide biradical-supported lanthanide hetero-spin compounds: Magnetic relaxation in Dy analogue","Inorganica Chimica Acta","2020","499","","119188","","10.1016/j.ica.2019.119188","","","0.71073","MoKα","","0.1999","0.1458","","","0.304","0.3279","","","","","","0.98","","","","has coordinates,has disorder","271359","2021-12-13","09:56:30",""
"1565691","20.5787","0.0019","23.2891","0.0017","23.7782","0.0017","90","","120.009","0.006","90","","9868.3","1.5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H60 Br2 Dy2 F36 N8 O20 -","- C70 H60 Br2 Dy2 F36 N8 O20 -","- C280 H240 Br8 Dy8 F144 N32 O80 -","4","1","","Li, Hongdao; Xie, Jing; Xi, Lu; Zhai, Lijun; Niu, Yulan","Nitronyl nitroxide biradical-supported lanthanide hetero-spin compounds: Magnetic relaxation in Dy analogue","Inorganica Chimica Acta","2020","499","","119188","","10.1016/j.ica.2019.119188","","","0.71073","MoKα","","0.0818","0.0573","","","0.1569","0.1732","","","","","","0.962","","","","has coordinates,has disorder","271359","2021-12-13","09:56:41",""
"1565692","15.363","0.0012","7.5405","0.0006","19.6174","0.0015","90","","91.634","0.003","90","","2271.6","0.3","103","2","102.91","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 O5 -","- C28 H24 N2 O5 -","- C112 H96 N8 O20 -","4","0.5","","Chandra, Rukhmani; Manna, Amit Kumar; Sahu, Meman; Rout, Kalyani; Patra, Goutam K.","Simple salicylaldimine-functionalized dipodal bis Schiff base chromogenic and fluorogenic chemosensors for selective and sensitive detection of Al3+ and Cr3+","Inorganica Chimica Acta","2020","499","","119192","","10.1016/j.ica.2019.119192","","","0.71073","MoKα","","0.0914","0.0636","","","0.1709","0.2018","","","","","","1.043","","","","has coordinates","271360","2021-12-13","10:17:09",""
"1565693","9.8715","0.0004","11.3464","0.0005","14.1714","0.0005","77.659","0.002","72.291","0.0018","74.008","0.002","1438.85","0.1","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H45 Cl3 N8 O4 Sm2 -","- C16 H45 Cl3 N8 O4 Sm2 -","- C32 H90 Cl6 N16 O8 Sm4 -","2","1","","Yang, Li-li; Zhou, Jian; Zou, Hua-Hong; Hu, Feilong; Zhao, Jun-Wei","A series of new polynuclear lanthanide(III) clusters prepared in alkylol amine","Inorganica Chimica Acta","2020","499","","119201","","10.1016/j.ica.2019.119201","","","0.71073","MoKα","","0.0659","0.0342","","","0.0509","0.0584","","","","","","1.005","","","","has coordinates","271362","2021-12-13","10:31:24",""
"1565694","9.827","0.006","11.23","0.006","14.052","0.009","77.34","0.03","72.255","0.019","74.236","0.014","1405.6","1.5","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H45 Cl3 Eu2 N8 O4 -","- C16 H45 Cl3 Eu2 N8 O4 -","- C32 H90 Cl6 Eu4 N16 O8 -","2","1","","Yang, Li-li; Zhou, Jian; Zou, Hua-Hong; Hu, Feilong; Zhao, Jun-Wei","A series of new polynuclear lanthanide(III) clusters prepared in alkylol amine","Inorganica Chimica Acta","2020","499","","119201","","10.1016/j.ica.2019.119201","","","0.71073","MoKα","","0.0656","0.0377","","","0.0778","0.0903","","","","","","0.998","","","","has coordinates","271362","2021-12-13","10:31:25",""
"1565695","17.5","0.002","10.0536","0.0012","22.552","0.002","90","","109.109","0.003","90","","3749.1","0.7","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H116 Cl6 N20 O14 Y6 -","- C40 H112 Cl6 N20 O14 Y6 -","- C80 H224 Cl12 N40 O28 Y12 -","2","0.5","","Yang, Li-li; Zhou, Jian; Zou, Hua-Hong; Hu, Feilong; Zhao, Jun-Wei","A series of new polynuclear lanthanide(III) clusters prepared in alkylol amine","Inorganica Chimica Acta","2020","499","","119201","","10.1016/j.ica.2019.119201","","","0.71073","MoKα","","0.0627","0.0363","","","0.0785","0.0872","","","","","","1.096","","","","has coordinates,has disorder","271362","2021-12-13","10:31:26",""
"1565696","17.4291","0.0008","9.9011","0.0004","22.5403","0.001","90","","108.555","0.002","90","","3687.5","0.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H116 Cl6 Gd6 N20 O14 -","- C40 H112 Cl6 Gd6 N20 O12 -","- C80 H224 Cl12 Gd12 N40 O24 -","2","0.5","","Yang, Li-li; Zhou, Jian; Zou, Hua-Hong; Hu, Feilong; Zhao, Jun-Wei","A series of new polynuclear lanthanide(III) clusters prepared in alkylol amine","Inorganica Chimica Acta","2020","499","","119201","","10.1016/j.ica.2019.119201","","","0.71073","MoKα","","0.0759","0.0443","","","0.1103","0.1409","","","","","","1.171","","","","has coordinates,has disorder","271362","2021-12-13","10:31:26",""
"1565697","17.5183","0.0014","10.0612","0.001","22.586","0.002","90","","109.003","0.003","90","","3763.9","0.6","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H116 Cl6 Dy6 N20 O14 -","- C40 H112 Cl6 Dy6 N20 O14 -","- C80 H224 Cl12 Dy12 N40 O28 -","2","0.5","","Yang, Li-li; Zhou, Jian; Zou, Hua-Hong; Hu, Feilong; Zhao, Jun-Wei","A series of new polynuclear lanthanide(III) clusters prepared in alkylol amine","Inorganica Chimica Acta","2020","499","","119201","","10.1016/j.ica.2019.119201","","","0.71073","MoKα","","0.0405","0.0282","","","0.0596","0.0637","","","","","","1.068","","","","has coordinates,has disorder","271362","2021-12-13","10:31:26",""
"1565698","17.4384","0.001","9.9388","0.0005","22.5206","0.0012","90","","108.637","0.002","90","","3698.5","0.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H116 Cl6 N20 O14 Tb6 -","- C40 H112 Cl6 N20 O14 Tb6 -","- C80 H224 Cl12 N40 O28 Tb12 -","2","0.5","","Yang, Li-li; Zhou, Jian; Zou, Hua-Hong; Hu, Feilong; Zhao, Jun-Wei","A series of new polynuclear lanthanide(III) clusters prepared in alkylol amine","Inorganica Chimica Acta","2020","499","","119201","","10.1016/j.ica.2019.119201","","","0.71073","MoKα","","0.0522","0.0315","","","0.0582","0.0649","","","","","","1.013","","","","has coordinates,has disorder","271362","2021-12-13","10:31:26",""
"1565699","17.464","0.001","10.0245","0.0006","22.6388","0.0015","90","","109.19","0.002","90","","3743.1","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H116 Cl6 Ho6 N20 O14 -","- C40 H112 Cl6 Ho6 N20 O14 -","- C80 H224 Cl12 Ho12 N40 O28 -","2","0.5","","Yang, Li-li; Zhou, Jian; Zou, Hua-Hong; Hu, Feilong; Zhao, Jun-Wei","A series of new polynuclear lanthanide(III) clusters prepared in alkylol amine","Inorganica Chimica Acta","2020","499","","119201","","10.1016/j.ica.2019.119201","","","0.71073","MoKα","","0.0464","0.0293","","","0.0714","0.0786","","","","","","1.059","","","","has coordinates,has disorder","271362","2021-12-13","10:31:26",""
"1565700","17.431","0.0011","10.0145","0.0007","22.5019","0.0015","90","","108.948","0.002","90","","3715.1","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H116 Cl6 Er6 N20 O14 -","- C40 H112 Cl6 Er6 N20 O14 -","- C80 H224 Cl12 Er12 N40 O28 -","2","0.5","","Yang, Li-li; Zhou, Jian; Zou, Hua-Hong; Hu, Feilong; Zhao, Jun-Wei","A series of new polynuclear lanthanide(III) clusters prepared in alkylol amine","Inorganica Chimica Acta","2020","499","","119201","","10.1016/j.ica.2019.119201","","","0.71073","MoKα","","0.0482","0.0316","","","0.0607","0.0669","","","","","","1.078","","","","has coordinates,has disorder","271362","2021-12-13","10:31:26",""
"1565701","17.415","0.002","10.0407","0.0011","22.5","0.003","90","","109.204","0.004","90","","3715.4","0.8","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H116 Cl6 N20 O14 Tm6 -","- C40 H112 Cl6 N20 O14 Tm6 -","- C80 H224 Cl12 N40 O28 Tm12 -","2","0.5","","Yang, Li-li; Zhou, Jian; Zou, Hua-Hong; Hu, Feilong; Zhao, Jun-Wei","A series of new polynuclear lanthanide(III) clusters prepared in alkylol amine","Inorganica Chimica Acta","2020","499","","119201","","10.1016/j.ica.2019.119201","","","0.71073","MoKα","","0.0648","0.0383","","","0.0773","0.0869","","","","","","1.028","","","","has coordinates","271362","2021-12-13","10:31:26",""
"1565702","8.0417","0.0007","12.4096","0.0011","12.4633","0.0012","119.299","0.003","90.022","0.003","99.68","0.003","1064.26","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H52 Cl4 N2 O20 -","- C38 H52 Cl4 N2 O20 -","- C38 H52 Cl4 N2 O20 -","1","0.5","","Deems, Justin C.; Reibenspies, Joseph H.; Lee, Hee-Seung; Hancock, Robert D.","Strategies for a fluorescent sensor with receptor and fluorophore designed for the recognition of heavy metal ions","Inorganica Chimica Acta","2020","499","","119181","","10.1016/j.ica.2019.119181","","x-ray","0.71073","MoKα","","0.2253","0.0948","","","0.1534","0.192","","","","","","1.018","","","","has coordinates","271363","2021-12-13","10:40:54",""
"1565703","15.3715","0.0007","14.3081","0.0006","21.6132","0.0009","90","","99.537","0.002","90","","4687.8","0.4","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H55 Cl2 N2 O24.5 Pb -","- C36 H55 Cl2 N2 O24.5 Pb -","- C144 H220 Cl8 N8 O98 Pb4 -","4","0.5","","Deems, Justin C.; Reibenspies, Joseph H.; Lee, Hee-Seung; Hancock, Robert D.","Strategies for a fluorescent sensor with receptor and fluorophore designed for the recognition of heavy metal ions","Inorganica Chimica Acta","2020","499","","119181","","10.1016/j.ica.2019.119181","","x-ray","0.71073","MoKα","","0.0292","0.0238","","","0.0535","0.0556","","","","","","1.039","","","","has coordinates,has disorder","271363","2021-12-13","10:40:56",""
"1565704","13.4875","0.0006","25.2151","0.0012","24.4961","0.0012","90","","105.253","0.001","90","","8037.4","0.7","110","","110.04","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 Ag Cl N2 O16 -","- C36 H46 Ag Cl N2 O16 -","- C288 H368 Ag8 Cl8 N16 O128 -","8","2","","Deems, Justin C.; Reibenspies, Joseph H.; Lee, Hee-Seung; Hancock, Robert D.","Strategies for a fluorescent sensor with receptor and fluorophore designed for the recognition of heavy metal ions","Inorganica Chimica Acta","2020","499","","119181","","10.1016/j.ica.2019.119181","","x-ray","0.71073","MoKα","","0.053","0.045","","","0.1102","0.1157","","","","","","1.074","","","","has coordinates,has disorder","271363","2021-12-13","10:40:56",""
"1565705","14.9523","0.0012","14.9523","0.0012","39.342","0.006","90","","90","","120","","7617.3","1.4","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C44 H48 Cu2 N32 O16 S8 -","- C44 H48 Cu2 N32 O15.9998 S8 -","- C88 H96 Cu4 N64 O31.9996 S16 -","2","0.0833333","","Hua, Zi-Yi; Chen, Chen; Zhou, Fu-Hou; Zhang, Hao; Zhu, Zhao Qiang; Ge, Wei-Wei; Chen, Kai","Anion control in the complexation of cucurbit[6]uril with Cu(II) salts","Inorganica Chimica Acta","2020","499","","119183","","10.1016/j.ica.2019.119183","","","0.71073","MoKα","","0.1402","0.0992","","","0.1947","0.2096","","","","","","1.18","","","","has coordinates","271364","2021-12-13","10:47:18",""
"1565706","15.599","0.005","10.704","0.005","21.315","0.007","90","","105","0.02","90","","3438","2","293","2","293","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C18 H18 Cl2 Cu N12 O9 -","- C18 H18 Cl2 Cu N12 O9 -","- C72 H72 Cl8 Cu4 N48 O36 -","4","0.5","","Hua, Zi-Yi; Chen, Chen; Zhou, Fu-Hou; Zhang, Hao; Zhu, Zhao Qiang; Ge, Wei-Wei; Chen, Kai","Anion control in the complexation of cucurbit[6]uril with Cu(II) salts","Inorganica Chimica Acta","2020","499","","119183","","10.1016/j.ica.2019.119183","","","0.71069","MoKα","","0.2358","0.2258","","","0.46","0.4644","","","","","","1.188","","","","has coordinates","271364","2021-12-13","10:47:30",""
"1565707","14.925","0.005","15.983","0.005","11.551","0.005","90","0.005","90","0.005","90","0.005","2755.4","1.7","293","2","293","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C36 H36 Cl2 Cu2 N26 O23 -","- C36 H36 Cl2 Cu2 N26 O23 -","- C72 H72 Cl4 Cu4 N52 O46 -","2","0.5","","Hua, Zi-Yi; Chen, Chen; Zhou, Fu-Hou; Zhang, Hao; Zhu, Zhao Qiang; Ge, Wei-Wei; Chen, Kai","Anion control in the complexation of cucurbit[6]uril with Cu(II) salts","Inorganica Chimica Acta","2020","499","","119183","","10.1016/j.ica.2019.119183","","","0.71069","MoKα","","0.107","0.0938","","","0.2032","0.2102","","","","","","1.107","","","","has coordinates,has disorder","271364","2021-12-13","10:47:32",""
"1565708","13.464","0.003","17.063","0.003","17.642","0.004","68.5","0.03","68.72","0.03","88.95","0.03","3483","1.7","113","","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H61 Dy2 N O14 -","- C75.75 H59.125 Dy2 N O14 -","- C151.5 H118.25 Dy4 N2 O28 -","2","1","","Duan, Yao-Yao; Wu, Dong-Fang; Chen, Huan-Huan; Wang, Yun-Juan; Li, Ling; Gao, Hong-Ling; Cui, Jian-Zhong","New dinuclear compounds of dysprosium and erbium constructed by an O-vanillin ligand and β-diketonate coligand: Synthesis, near-Infrared luminescent and magnetism","Inorganica Chimica Acta","2020","499","","119203","","10.1016/j.ica.2019.119203","","","0.71073","MoKα","","0.1035","0.077","","","0.1924","0.217","","","","","","1.122","","","","has coordinates,has disorder","271365","2021-12-13","12:39:18",""
"1565709","13.583","0.003","17.041","0.003","17.534","0.004","110.17","0.03","112.67","0.03","90.03","0.03","3473.4","1.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H60.5 Cl Dy2 O14.5 -","- C77 H60.5 Cl Dy2 O14.25 -","- C154 H121 Cl2 Dy4 O28.5 -","2","1","","Duan, Yao-Yao; Wu, Dong-Fang; Chen, Huan-Huan; Wang, Yun-Juan; Li, Ling; Gao, Hong-Ling; Cui, Jian-Zhong","New dinuclear compounds of dysprosium and erbium constructed by an O-vanillin ligand and β-diketonate coligand: Synthesis, near-Infrared luminescent and magnetism","Inorganica Chimica Acta","2020","499","","119203","","10.1016/j.ica.2019.119203","","","0.71073","MoKα","","0.0581","0.05","","","0.1347","0.1433","","","","","","1.045","","","","has coordinates","271365","2021-12-13","12:39:31",""
"1565710","13.42","0.003","17.024","0.003","17.067","0.003","71.46","0.03","67.42","0.03","89.4","0.03","3385.6","1.6","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C76 H58 Er2 O14 -","- C76 H58 Er2 O14 -","- C152 H116 Er4 O28 -","2","1","","Duan, Yao-Yao; Wu, Dong-Fang; Chen, Huan-Huan; Wang, Yun-Juan; Li, Ling; Gao, Hong-Ling; Cui, Jian-Zhong","New dinuclear compounds of dysprosium and erbium constructed by an O-vanillin ligand and β-diketonate coligand: Synthesis, near-Infrared luminescent and magnetism","Inorganica Chimica Acta","2020","499","","119203","","10.1016/j.ica.2019.119203","","","0.71073","MoKα","","0.0653","0.0516","","","0.1378","0.1523","","","","","","1.073","","","","has coordinates","271365","2021-12-13","12:39:43",""
"1565711","13.749","0.003","17.078","0.003","17.15","0.003","108.54","0.03","113.32","0.03","90.32","0.03","3465.8","1.7","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C77.25 H60.5 Cl2.5 Er2 O14 -","- C77.25 H60.5 Cl2.5 Er2 O14 -","- C154.5 H121 Cl5 Er4 O28 -","2","1","","Duan, Yao-Yao; Wu, Dong-Fang; Chen, Huan-Huan; Wang, Yun-Juan; Li, Ling; Gao, Hong-Ling; Cui, Jian-Zhong","New dinuclear compounds of dysprosium and erbium constructed by an O-vanillin ligand and β-diketonate coligand: Synthesis, near-Infrared luminescent and magnetism","Inorganica Chimica Acta","2020","499","","119203","","10.1016/j.ica.2019.119203","","","0.71073","MoKα","","0.0572","0.0429","","","0.0967","0.1048","","","","","","1.032","","","","has coordinates,has disorder","271365","2021-12-13","12:39:48",""
"1565712","10.6783","0.0002","10.6783","0.0002","37.8191","0.0007","90","","90","","120","","3734.62","0.12","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C26 H26 N4 O4 Ru -","- C26 H26 N4 O4 Ru -","- C156 H156 N24 O24 Ru6 -","6","1","","Deka, Rajesh; Junk, Peter C.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","An insight into the redox activity of Ru and Os complexes of the N,N′-bis(2-pyridyl)benzene-1,2-diamine ligand: Structural, electrochemical and electronic structure analysis by density functional theory calculations","Inorganica Chimica Acta","2020","499","","119193","","10.1016/j.ica.2019.119193","","","0.71073","MoKα","","0.0305","0.0296","","","0.0721","0.0727","","","","","","1.071","","","","has coordinates,has disorder","271366","2021-12-13","12:48:31",""
"1565713","11.4893","0.0009","29.335","0.002","24.2604","0.0017","90","","97.376","0.007","90","","8109","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H27 Cl N7 Ru -","- C37 H27 Cl N7 Ru -","- C296 H216 Cl8 N56 Ru8 -","8","1","","Deka, Rajesh; Junk, Peter C.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","An insight into the redox activity of Ru and Os complexes of the N,N′-bis(2-pyridyl)benzene-1,2-diamine ligand: Structural, electrochemical and electronic structure analysis by density functional theory calculations","Inorganica Chimica Acta","2020","499","","119193","","10.1016/j.ica.2019.119193","","","0.71073","MoKα","","0.1463","0.0919","","","0.2408","0.2968","","","","","","1.052","","","","has coordinates","271366","2021-12-13","12:48:39",""
"1565714","11.8605","0.0002","13.5233","0.0003","14.3278","0.0003","67.07","0.002","76.321","0.002","67.853","0.002","1949.49","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H38 Cl N8 O4 Os -","- C45 H38 Cl N8 O4 Os -","- C90 H76 Cl2 N16 O8 Os2 -","2","1","","Deka, Rajesh; Junk, Peter C.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","An insight into the redox activity of Ru and Os complexes of the N,N′-bis(2-pyridyl)benzene-1,2-diamine ligand: Structural, electrochemical and electronic structure analysis by density functional theory calculations","Inorganica Chimica Acta","2020","499","","119193","","10.1016/j.ica.2019.119193","","x-ray","0.71073","MoKα","","0.0381","0.0326","","","0.0717","0.0744","","","","","","1.04","","","","has coordinates","271366","2021-12-13","12:48:49",""
"1566037","18.3434","0.0017","6.7313","0.0008","10.8844","0.0012","90","","90","","90","","1344","0.3","296","2","296","2","","","","","","","","4","P n n m","-P 2 2n","58","Bredigite","","","- Ca7 Mg O16 Si4 -","- Ca7 Mg O16 Si4 -","- Ca28 Mg4 O64 Si16 -","4","0.5","","Bao, Xinjian; He, Mingyue; Zhang, Zhigang; Liu, Xi","Crystal Structure and Some Thermodynamic Properties of Ca7MgSi4O16-Bredigite","Crystals","2020","11","1","14","","10.3390/cryst11010014","","","0.71073","MoKα","","0.0675","0.0472","","","0.1157","0.1289","","","","","","1.004","","","","has coordinates","272127","2022-01-19","09:39:56",""
"1566069","9.2477","0.0003","19.5475","0.0005","6.9631","0.0002","90","","111.311","0.003","90","","1172.65","0.06","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Potassium [poly-bis(η2-peroxido)oxido-μ-(1-oxo-κO-pyridine-4-carboxylate-κO)]molybdate(VI) hydrate","","- C6 H4 K Mo N O9 -","- C6 H4 K Mo N O9 -","- C24 H16 K4 Mo4 N4 O36 -","4","1","","Sławińska, Adrianna; Serda, Paweł; Oszajca, Marcin; Pamin, Katarzyna; Połtowicz, Jan; Łasocha, Wiesław","Synthesis, crystal structure and selected properties of two new peroxidomolybdates","Polyhedron","2020","183","","114530","","10.1016/j.poly.2020.114530","powder diffraction","x-ray","1.54187","CuKα","","0.0659","0.0644","","0.0784","0.0782","","","","3.59","","","","","","","has coordinates","272159","2022-01-20","12:56:30",""
"1566070","6.5619","0.0003","7.1063","0.0003","12.0469","0.0004","91.517","0.003","96.093","0.003","104.61","0.004","539.69","0.04","131","2","131","2","","","","","","","","5","P -1","-P 1","2","","Diammonium [tetrakis(η2-peroxido)dioxido-bis{μ-(1-oxo-κO-pyridine-4-carboxylate-κO)}dimolybdate(VI) dihydrate","","- C12 H20 Mo2 N4 O18 -","- C12 H20 Mo2 N4 O18 -","- C12 H20 Mo2 N4 O18 -","1","0.5","","Sławińska, Adrianna; Serda, Paweł; Oszajca, Marcin; Pamin, Katarzyna; Połtowicz, Jan; Łasocha, Wiesław","Synthesis, crystal structure and selected properties of two new peroxidomolybdates","Polyhedron","2020","183","","114530","","10.1016/j.poly.2020.114530","","","1.54184","CuKα","","0.0361","0.0356","","","0.1045","0.1051","","","","","","1.097","","","","has coordinates","272159","2022-01-20","12:56:33",""
"1566110","8.9945","0.0004","9.6067","0.0003","15.7357","0.0008","90","","91.46","0.004","90","","1359.24","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H21 Cu F6 N5 Si -","- C6 H21 Cu F6 N5 Si -","- C24 H84 Cu4 F24 N20 Si4 -","4","1","","Lavrenyuk, Helen; Mykhalichko, Borys; Dziuk, Błażej; Olijnyk, Volodymyr; Mykhalichko, Oleg","A new copper(II) chelate complex with polyamines as fire retardant and epoxy hardener: Synthesis, crystal and electronic structure, and thermal behavior of (ethylenediamine-N,N′)-(diethylenetriamine-N,N′,N″)-copper(II) hexafluoridosilicate","Arabian Journal of Chemistry","2020","13","1","3060","3069","10.1016/j.arabjc.2018.08.014","","","0.71073","MoKα","","0.1651","0.0706","","","0.0744","0.0893","","","","","","0.949","","","","has coordinates","272211","2022-01-24","09:10:35",""
"1566133","11.34175","0.00018","8.21411","0.00013","12.44906","0.00019","90","","107.158","0.0016","90","","1108.17","0.03","99.98","0.12","99.98","0.12","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H33 N O5 -","- C24 H33 N O5 -","- C48 H66 N2 O10 -","2","1","","Quy, Alex S.; Li, Xingjian; Male, Louise; Stankovic, Tatjana; Agathanggelou, Angelo; Fossey, John S.","Aniline-containing derivatives of parthenolide: Synthesis and anti-chronic lymphocytic leukaemia activity","Tetrahedron","2020","76","48","131631","","10.1016/j.tet.2020.131631","","x-ray","1.54184","CuKα","","0.0345","0.0323","","","0.0837","0.0857","","","","","","1.043","","","","has coordinates","272246","2022-01-26","12:29:17",""
"1566134","11.1281","0.0003","7.1835","0.0002","11.805","0.0003","90","","93.143","0.002","90","","942.26","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C44 H58 N2 O6 -","2","1","","Quy, Alex S.; Li, Xingjian; Male, Louise; Stankovic, Tatjana; Agathanggelou, Angelo; Fossey, John S.","Aniline-containing derivatives of parthenolide: Synthesis and anti-chronic lymphocytic leukaemia activity","Tetrahedron","2020","76","48","131631","","10.1016/j.tet.2020.131631","","x-ray","1.54184","CuKα","","0.0303","0.0287","","","0.0708","0.0719","","","","","","1.003","","","","has coordinates","272247","2022-01-26","12:30:19",""
"1566135","6.42575","0.00009","25.7445","0.0003","9.53536","0.00012","90","","105.067","0.0013","90","","1523.18","0.03","99.9","0.5","99.9","0.5","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H25 O4.5 -","- C16 H25 O4.5 -","- C64 H100 O18 -","4","2","","Quy, Alex S.; Li, Xingjian; Male, Louise; Stankovic, Tatjana; Agathanggelou, Angelo; Fossey, John S.","Aniline-containing derivatives of parthenolide: Synthesis and anti-chronic lymphocytic leukaemia activity","Tetrahedron","2020","76","48","131631","","10.1016/j.tet.2020.131631","","x-ray","1.54184","CuKα","","0.0283","0.0264","","","0.0622","0.0637","","","","","","1.031","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1566137","11.3635","0.0006","24.9442","0.0016","10.1321","0.0005","90","","101.394","0.005","90","","2815.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 B2 O8 S2 -","- C26 H32 B2 O8 S2 -","- C104 H128 B8 O32 S8 -","4","1","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","x-ray","0.71073","MoKα","","0.0764","0.0579","","","0.1423","0.1554","","","","","","1.029","","","","has coordinates,has disorder","272250","2022-01-26","12:50:05",""
"1566138","36.788","0.003","9.326","0.001","17.102","0.001","90","","101.293","0.009","90","","5753.8","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H74 B4 O11 Si2 -","- C55 H74 B4 O11 Si2 -","- C220 H296 B16 O44 Si8 -","4","0.5","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","x-ray","1.54184","CuKα","","0.0984","0.0805","","","0.2419","0.2665","","","","","","1.03","","","","has coordinates","272250","2022-01-26","12:50:06",""
"1566139","7.3773","0.0008","20.523","0.003","12.5623","0.0019","90","","102.694","0.014","90","","1855.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl2 O4 -","- C22 H16 Cl2 O4 -","- C88 H64 Cl8 O16 -","4","1","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","x-ray","0.71073","MoKα","","0.1134","0.0597","","","0.0864","0.1023","","","","","","1.032","","","","has coordinates","272250","2022-01-26","12:50:06",""
"1566140","12.5963","0.0003","14.7352","0.0004","16.1555","0.0005","90","","90","","90","","2998.61","0.14","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C32 H36 B2 O6 -","- C32 H36 B2 O6 -","- C128 H144 B8 O24 -","4","0.5","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","","1.54184","CuKα","","0.1226","0.0941","","","0.2729","0.2939","","","","","","1.038","","","","has coordinates","272250","2022-01-26","12:50:06",""
"1566141","9.1909","0.0007","20.3736","0.0017","17.2816","0.0012","90","","102.298","0.007","90","","3161.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H7 Cl2 F3 O3 S -","- C15 H7 Cl2 F3 O3 S -","- C120 H56 Cl16 F24 O24 S8 -","8","1","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","","0.71073","MoKα","","0.1441","0.1193","","","0.3755","0.4091","","","","","","1.59","","","","has coordinates,has disorder","272250","2022-01-26","12:50:06",""
"1566142","7.4165","0.0006","10.6043","0.0007","14.6106","0.0008","90","","90.624","0.006","90","","1149.01","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cl2 O -","- C14 H8 Cl2 O -","- C56 H32 Cl8 O4 -","4","1","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","","0.71073","MoKα","","0.0539","0.0401","","","0.0886","0.0953","","","","","","1.069","","","","has coordinates","272250","2022-01-26","12:50:06",""
"1566143","7.7477","0.0002","7.7582","0.0002","20.4902","0.0005","90","","108.504","0.002","90","","1167.96","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cl2 O2 -","- C14 H8 Cl2 O2 -","- C56 H32 Cl8 O8 -","4","1","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","x-ray","1.54184","CuKα","","0.0396","0.0357","","","0.1171","0.1237","","","","","","0.956","","","","has coordinates","272250","2022-01-26","12:50:06",""
"1566144","7.7651","0.0005","21.4851","0.0014","7.2877","0.0004","90","","94.017","0.006","90","","1212.85","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl2 O2 -","- C14 H10 Cl2 O2 -","- C56 H40 Cl8 O8 -","4","1","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","","0.71073","MoKα","","0.0683","0.0624","","","0.1528","0.157","","","","","","1.121","","","","has coordinates","272250","2022-01-26","12:50:07",""
"1566145","7.2545","0.0006","7.8698","0.0006","10.9539","0.001","93.774","0.007","103.555","0.008","92.372","0.007","605.59","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 Cl2 O2 -","- C14 H10 Cl2 O2 -","- C28 H20 Cl4 O4 -","2","1","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","","0.71073","MoKα","","0.0618","0.0511","","","0.1175","0.1239","","","","","","1.111","","","","has coordinates","272250","2022-01-26","12:50:07",""
"1566146","6.9873","0.0004","7.9428","0.0004","11.0964","0.0006","93.205","0.004","94.213","0.004","109.868","0.005","575.46","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 B O3 -","- C11 H15 B O3 -","- C22 H30 B2 O6 -","2","1","","Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide","1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays","Tetrahedron","2020","76","51","131299","","10.1016/j.tet.2020.131299","","","0.71073","MoKα","","0.0554","0.0498","","","0.1523","0.1586","","","","","","1.085","","","","has coordinates","272250","2022-01-26","12:50:07",""
"1566216","5.6406","0.0003","10.0492","0.0004","11.981","0.0008","88.638","0.004","79.578","0.005","89.763","0.004","667.73","0.06","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","1","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.043","0.0343","","","0.0752","0.0801","","","","","","1.007","","","","has coordinates","272369","2022-02-01","08:52:35",""
"1566217","5.632","0.0004","10.0417","0.0003","11.9844","0.0004","88.622","0.003","79.572","0.004","89.699","0.004","666.39","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","1","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.043","0.0337","","","0.0707","0.0755","","","","","","1.02","","","","has coordinates","272370","2022-02-01","08:52:44",""
"1566218","5.6594","0.0005","10.0663","0.0004","11.9792","0.0005","88.659","0.003","79.634","0.005","89.844","0.005","671.12","0.07","243","2","243","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","1","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.0445","0.0348","","","0.0718","0.0772","","","","","","1.021","","","","has coordinates","272371","2022-02-01","08:52:51",""
"1566219","5.6548","0.0003","10.064","0.0005","11.9794","0.0007","88.649","0.004","79.611","0.005","89.824","0.004","670.38","0.06","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","1","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.0423","0.0321","","","0.0609","0.0655","","","","","","1.017","","","","has coordinates","272372","2022-02-01","08:52:58",""
"1566220","5.6456","0.0003","10.0564","0.0004","11.9803","0.0006","88.654","0.004","79.604","0.004","89.804","0.004","668.82","0.06","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","1","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.0424","0.0327","","","0.0653","0.0699","","","","","","1.006","","","","has coordinates","272373","2022-02-01","08:53:04",""
"1566221","5.6611","0.0004","10.0691","0.0003","11.9759","0.0004","88.658","0.003","79.631","0.004","89.878","0.004","671.32","0.06","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","1","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.045","0.0354","","","0.0726","0.0782","","","","","","1.019","","","","has coordinates","272374","2022-02-01","08:53:13",""
"1566222","5.6628","0.0003","10.0773","0.0004","11.9753","0.0006","88.67","0.004","79.684","0.004","89.912","0.004","672.15","0.06","303","2","303","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","1","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.0454","0.0342","","","0.0657","0.0716","","","","","","1.02","","","","has coordinates","272375","2022-02-01","08:53:22",""
"1566223","5.666","0.0003","10.084","0.0004","11.9746","0.0005","88.671","0.003","79.718","0.004","89.932","0.003","673.01","0.05","333","2","333","3","","","","","","","","6","P -1","-P 1","2","","","","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","1","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.0456","0.0345","","","0.0645","0.0703","","","","","","1.038","","","","has coordinates","272376","2022-02-01","08:53:28",""
"1566224","5.6699","0.0005","10.0953","0.0004","11.9744","0.0007","88.674","0.004","79.773","0.006","89.94","0.005","674.33","0.08","360","2","360","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","1","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.0485","0.0361","","","0.0674","0.0736","","","","","","1.002","","","","has coordinates","272377","2022-02-01","08:53:46",""
"1566225","5.9689","0.0003","5.5534","0.0004","19.0643","0.001","90","","90","","90","","631.94","0.06","153","2","153","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Cu4 H6 O14 Se2 U -","- Cu4 H6 O14 Se2 U -","- Cu8 H12 O28 Se4 U2 -","2","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.037","0.0358","","","0.0829","0.0838","","","","","","1.051","","","","has coordinates","272378","2022-02-01","08:53:55",""
"1566226","5.9679","0.0003","5.5501","0.0003","19.0613","0.0009","90","","90","","90","","631.36","0.06","100","2","100","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Cu4 H6 O14 Se2 U -","- Cu4 H6 O14 Se2 U -","- Cu8 H12 O28 Se4 U2 -","2","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.0401","0.0391","","","0.0933","0.0941","","","","","","1.032","","","","has coordinates","272379","2022-02-01","08:54:15",""
"1566227","5.9702","0.0002","5.5629","0.0003","19.0733","0.0008","90","","90","","90","","633.46","0.05","233","2","233","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Cu4 H6 O14 Se2 U -","- Cu4 H6 O14 Se2 U -","- Cu8 H12 O28 Se4 U2 -","2","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.038","0.0368","","","0.0902","0.0913","","","","","","1.043","","","","has coordinates","272380","2022-02-01","08:54:28",""
"1566228","5.9693","0.0002","5.5579","0.0003","19.0674","0.0007","90","","90","","90","","632.59","0.05","193","2","193","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Cu4 H6 O14 Se2 U -","- Cu4 H6 O14 Se2 U -","- Cu8 H12 O28 Se4 U2 -","2","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.036","0.0341","","","0.0808","0.0826","","","","","","1.05","","","","has coordinates","272381","2022-02-01","08:54:37",""
"1566229","5.972","0.0003","5.5688","0.0004","19.084","0.0011","90","","90","","90","","634.67","0.07","273","2","273","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Cu4 H6 O14 Se2 U -","- Cu4 H6 O14 Se2 U -","- Cu8 H12 O28 Se4 U2 -","2","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.0389","0.0364","","","0.0862","0.0882","","","","","","1.045","","","","has coordinates","272382","2022-02-01","08:54:46",""
"1566230","5.9743","0.0004","5.5759","0.0004","19.0983","0.0011","90","","90","","90","","636.2","0.07","303","2","303","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Cu4 H6 O14 Se2 U -","- Cu4 H6 O14 Se2 U -","- Cu8 H12 O28 Se4 U2 -","2","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.0456","0.0433","","","0.1053","0.1076","","","","","","1.053","","","","has coordinates","272383","2022-02-01","08:54:56",""
"1566231","5.9784","0.0003","5.5874","0.0004","19.1254","0.0011","90","","90","","90","","638.86","0.07","333","2","333","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Cu4 H6 O14 Se2 U -","- Cu4 H6 O14 Se2 U -","- Cu8 H12 O28 Se4 U2 -","2","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.0475","0.0448","","","0.1086","0.1113","","","","","","1.049","","","","has coordinates","272384","2022-02-01","08:55:06",""
"1566232","5.9843","0.0003","5.5966","0.0004","19.1599","0.001","90","","90","","90","","641.7","0.07","360","2","360","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Cu4 H6 O14 Se2 U -","- Cu4 H6 O14 Se2 U -","- Cu8 H12 O28 Se4 U2 -","2","0.5","","Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev","Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite","Journal of GeoSciences","2020","65","","249","259","10.3190/jgeosci.315","","x-ray","0.71073","MoKα","","0.0497","0.0472","","","0.1148","0.117","","","","","","1.068","","","","has coordinates","272385","2022-02-01","08:55:15",""
"1566233","4.0237","0.0003","19.1136","0.0017","15.7813","0.0015","90","","91.799","0.007","90","","1213.1","0.18","298.1","0.2","298.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Bi0.52 Fe Pb4 S14 Sb5.48 -","- Bi0.52 Fe Pb4 S14 Sb5.48 -","- Bi1.04 Fe2 Pb8 S28 Sb10.96 -","2","0.5","","Richard Pazout","Distribution of Bi in the crystal structure of Bi-rich jamesonite, FePb4 (Sb5.48Bi0.52)S14","Journal of GeoSciences","2020","65","","261","265","10.3190/jgeosci.312","","x-ray","0.71073","MoKα","","0.1094","0.0636","","","0.0522","0.0566","","","","1.77","1.77","1.44","","","","has coordinates,has Fobs","272387","2022-02-01","09:01:54",""
"1566234","3.9375","","11.2613","","14.195","","84.4274","","112.499","","133.944","","405.053","","293","","293","","","","","","","","","4","P 1","P 1","1","","","","- Ca0.458 Mo0.8 O8.315 U1.2 -","- Ca0.4 Mo0.8 O9.4 U1.2 -","- Ca0.8 Mo1.6 O18.8 U2.4 -","2","2","","Gwladys Steciuk; Radek Skoda; Jan Rohlicek; Jakub Plasil","Crystal structure of the uranyl-molybdate mineral calcurmolite Ca[(UO2)3(MoO4)2(OH)4](H2O)5 : insights from a precession electron-diffraction tomography study","Journal of GeoSciences","2020","65","","15","25","10.3190/jgeosci.297","","electron","0.0335","electron","","0.6806","0.3825","","","0.3834","0.3919","","","","12.59","12.59","6.15","","","","has coordinates","272388","2022-02-01","09:13:55",""
"1566235","20.344","0.0019","5.1507","0.0003","19.1361","0.0015","90","","93.568","0.008","90","","2001.3","0.3","297.4","0.2","297.4","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","zincoberaunite","","","- Al1.331 As0.175 Fe3.859 H17 Na0 O27 P3.825 Zn0.81 -","- Al1.332 As0.174 Fe3.858 H17 O27 P3.826 Zn0.81 -","- Al5.328 As0.696 Fe15.432 H68 O108 P15.304 Zn3.24 -","4","0.5","","Jaromir Tvrdy; Jakub Plasil; Radek Skoda","New crystal-chemical data on zincoberaunite from Krasno near Horni Slavkov (Czech Republic)","Journal of GeoSciences","2020","65","","45","57","10.3190/jgeosci.296","","x-ray","0.71073","MoKα","","0.0576","0.0356","","","0.0452","0.0491","","","","1.6","1.6","1.54","","","","has coordinates","272389","2022-02-01","09:26:35",""
"1566634","6.356","0.00021","6.356","","6.356","","90","","90","","90","","256.774","0.008","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","Ice Ic","","- D2 O -","- D2 O -","- D16 O8 -","8","0.0416667","","Komatsu, K.; Machida, S.; Noritake, F.; Hattori, T.; Sano-Furukawa, A.; Yamane, R.; Yamashita, K.; Kagi, H.","Ice Ic without stacking disorder by evacuating hydrogen from hydrogen hydrate","Nature Communications","2020","11","","464","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273828","2022-03-20","01:01:03",""
"1566635","6.37451","0.00009","6.37451","","6.37451","","90","","90","","90","","259.024","0.004","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","Ice Ic","","- D2 O -","- D2 O -","- D16 O8 -","8","0.0416667","","del Rosso, L.; Celli, M.; Grazzi, F.; Catti, M.; Hansen, T. C.; Fortes, A. D.; Ulivi, L.","Cubic ice Ic without stacking defects obtained from ice XVII","Nature Materials","2020","19","","663","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273829","2022-03-20","01:24:46",""
"1566662","4.39005","0.00018","4.39005","","6.303","0.0004","90","","90","","90","","121.475","0.009","","","","","","","","","","","","2","I 41/a m d :2","-I 4bd 2","141","","","","- D2 O -","- D2 O -","- D16 O8 -","8","0.25","","Komatsu, K.; Klotz, S.; Machida, S.; Sano-Furukawa, A.; Hattori, T.; Kagi, H.","Anomalous hydrogen dynamics of the ice VII-VIII transition revealed by high-pressure neutron diffraction","Proceedings of the National Academy of Sciences","2020","117","","6356","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","273858","2022-03-21","05:47:50",""
"1567248","7.908","0.007","7.441","0.008","9.88","0.009","90","","104.91","0.03","90","","561.8","0.9","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","6,7-Dihydro-5<i>H</i>-pyrrolo[1,2-<i>a</i>]imidazole","","- C6 H8 N2 -","- C6 H8 N2 -","- C24 H32 N8 -","4","1","WM4129","Morales-Collazo, Oscar; Lynch, Vincent M.; Brennecke, Joan F.","6,7-Dihydro-5H-pyrrolo[1,2-a]imidazole","IUCrData","2020","5","5","x200681","","10.1107/s2414314620006811","","x-ray","0.71073","MoKα","","0.0519","0.0418","","","0.1167","0.1231","","","","","","1.05","","","","has coordinates,has Fobs","276715","2022-07-06","23:15:17",""
"1568403","14.184","0.005","21.669","0.008","21.746","0.008","90","","90.63","0.02","90","","6683","4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cl4 N8 O4 Pd2 S4 -","- C22 H32 Cl4 N8 O4 Pd2 S4 -","- C176 H256 Cl32 N64 O32 Pd16 S32 -","8","2","","Javier Espino; Elena Fernández-Delgado; Samuel Estirado; Francisco Luna-Giles; Felipe de la Cruz-Martinez; Sergio Villa-Carballar; Emilio Viñuelas-Zahínos; Francisco Luna-Giles; Jos'e A. Pariente","Synthesis and structure of a new thiazoline-based palladium(II) complex that promotes cytotoxicity and apoptosis of human promyelocytic leukemia HL-60 cells","Scientific Reports","2020","10","","16745","","10.1038/s41598-020-73488-0","","","0.71073","MoKα","","0.0441","0.0333","","","0.0644","0.0677","","","","","","1.176","","","","has coordinates","280923","2023-02-15","12:18:39",""
"1573818","22.1327","0.0005","22.1327","0.0005","65.0522","0.0013","90","","90","","120","","27597","1","183","2","183","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C76 H48 Br3 N25 Ni3 O6 -","- C76 H48 Br3 N25 Ni3 O6.00015 -","- C912 H576 Br36 N300.001 Ni36 O72.0018 -","12","0.333333","","Michael Böhme; Adrian E. Ion; Benjamin Kintzel; Axel Buchholz; Helmar Görls; Winfried Plass","Pentanuclear Nickel(II) Complex with two Vertex-Shared Triaminoguanidine Fragments and Symmetric Capping Ligand","Zeitschrift fuer Anorganische und Allgemeine Chemie","2020","646","13","999","1009","10.1002/zaac.202000054","","","0.71073","MoKα","","0.0987","0.0582","","","0.1532","0.1794","","","","","","0.986","","","","has coordinates","297545","2025-01-31","19:16:44",""
"1573819","16.5193","0.0004","16.7116","0.0003","27.7661","0.0007","101.424","0.001","98.074","0.001","110.463","0.001","6853.3","0.3","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H72 Br6 N36 Ni5 O6 -","- C116 H72 Br6 N36 Ni5 O6 -","- C232 H144 Br12 N72 Ni10 O12 -","2","1","","Michael Böhme; Adrian E. Ion; Benjamin Kintzel; Axel Buchholz; Helmar Görls; Winfried Plass","Pentanuclear Nickel(II) Complex with two Vertex-Shared Triaminoguanidine Fragments and Symmetric Capping Ligand","Zeitschrift fuer Anorganische und Allgemeine Chemie","2020","646","13","999","1009","10.1002/zaac.202000054","","","0.71073","MoKα","","0.1525","0.0744","","","0.1686","0.2","","","","","","1.017","","","","has coordinates","297545","2025-01-31","19:16:46",""
"1573820","12.5258","0.0004","18.0165","0.0007","20.8704","0.0009","70.691","0.002","73.096","0.002","84.678","0.002","4252.8","0.3","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H79 Br3 Cl N19 Ni3 O9 -","- C71 H77 Br3 Cl N19 Ni3 O9 -","- C142 H154 Br6 Cl2 N38 Ni6 O18 -","2","1","","Michael Böhme; Dirk Schuch; Axel Buchholz; Helmar Görls; Winfried Plass","Spin Interactions and Magnetic Anisotropy in a Triangular Nickel(II) Complex with Triaminoguanidine Ligand Framework","Zeitschrift fuer Anorganische und Allgemeine Chemie","2020","646","3","166","174","10.1002/zaac.201900288","","","0.71073","MoKα","","0.1375","0.0699","","","0.1643","0.1983","","","","","","1.012","","","","has coordinates,has disorder","297546","2025-01-31","19:33:30",""
"1573952","8.9702","0.0005","10.4183","0.0007","10.8645","0.0007","66.2","0.005","67.928","0.005","82.794","0.005","860.49","0.1","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Co N4 O2 S2 -","- C14 H14 Co N4 O2 S2 -","- C28 H28 Co2 N8 O4 S4 -","2","1","","Michał Rams; Aleksej Jochim; Michael Böhme; Thomas Lohmiller; Magdalena Ceglarska; Marek M. Rams; Alexander Schnegg; Winfried Plass; Christian Näther","Single-Chain Magnet Based on Cobalt(II) Thiocyanate as XXZ Spin Chain","Chemistry - A European Journal","2020","26","13","2837","2851","10.1002/chem.201903924","","","0.71073","MoKα","","0.0509","0.0435","","","0.1184","0.1221","","","","","","1.015","","","","has coordinates","297823","2025-02-21","08:10:09",""
"2021845","16.0576","0.0012","24.7423","0.0019","18.2142","0.0014","90","","105.443","0.001","90","","6975.3","0.9","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(μ-butyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl hydrogen phosphato-κ<i>O</i>:κ<i>O</i>')di-μ-hydroxido-bis[(butyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl hydrogen phosphato-κ<i>O</i>)(butyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl phosphato-κ<i>O</i>)chromium](<i>Cr</i>—<i>Cr</i>) heptane disolvate","","- C128 H228 Cr2 O26 P6 -","- C128 H228 Cr2 O26 P6 -","- C256 H456 Cr4 O52 P12 -","2","1","FP3081","Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Komarov, Pavel D.; Vinogradov, Alexey A.; Churakov, Andrei V.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.","Chromium complexes bearing disubstituted organophosphate ligands and their use in ethylene polymerization","Acta Crystallographica Section C","2020","76","1","93","103","10.1107/S2053229619015699","","","0.71073","MoKα","","0.0541","0.0427","","","0.1047","0.1118","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","247889","2020-10-21","18:00:00",""
"2021846","15.4994","0.001","23.1995","0.0016","25.5787","0.0017","90","","90","","90","","9197.5","1.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[μ-Bis(2,6-diisopropylphenyl) phosphato-1κ<i>O</i>:2κ<i>O</i>']bis[bis(2,6-diisopropylphenyl) phosphato]-1κ<i>O</i>,2κ<i>O</i>-chlorido-2κ<i>Cl</i>-triethanol-1κ^2^<i>O</i>,2κ<i>O</i>-di-μ-ethanolato-1κ^2^<i>O</i>:2κ^2^<i>O</i>-dichromium(<i>Cr</i>—<i>Cr</i>) ethanol monosolvate","","- C84 H136 Cl Cr2 O18 P3 -","- C84 H136 Cl Cr2 O18 P3 -","- C336 H544 Cl4 Cr8 O72 P12 -","4","1","FP3081","Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Komarov, Pavel D.; Vinogradov, Alexey A.; Churakov, Andrei V.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.","Chromium complexes bearing disubstituted organophosphate ligands and their use in ethylene polymerization","Acta Crystallographica Section C","2020","76","1","93","103","10.1107/S2053229619015699","","","0.71073","MoKα","","0.0901","0.0497","","","0.0949","0.1076","","","","","","0.961","","","","has coordinates,has disorder,has Fobs","247889","2020-10-21","18:00:00",""
"2021847","12.8003","0.001","14.3922","0.0011","19.0048","0.0015","76.5044","0.0012","74.5363","0.0012","66.3984","0.0011","3060.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-ethanolato-1κ^2^<i>O</i>:2κ^2^<i>O</i>-bis{[bis(2,6-diisopropylphenyl) hydrogen phosphato-κ<i>O</i>][bis(2,6-diisopropylphenyl) phosphato-κ<i>O</i>]chlorido(ethanol-κ<i>O</i>)chromium}(<i>Cr</i>—<i>Cr</i>) benzene disolvate","","- C116 H172 Cl2 Cr2 O20 P4 -","- C116 H172 Cl2 Cr2 O20 P4 -","- C116 H172 Cl2 Cr2 O20 P4 -","1","0.5","FP3081","Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Komarov, Pavel D.; Vinogradov, Alexey A.; Churakov, Andrei V.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.","Chromium complexes bearing disubstituted organophosphate ligands and their use in ethylene polymerization","Acta Crystallographica Section C","2020","76","1","93","103","10.1107/S2053229619015699","","","0.71073","MoKα","","0.066","0.0492","","","0.1385","0.1493","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","247889","2020-10-21","18:00:00",""
"2021848","10.6325","0.0002","14.7734","0.0002","21.7751","0.0004","90","","90","","90","","3420.39","0.1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(2-Methoxyphenyl)-1,1-diphenylbut-1-en-3-yne","","- C23 H18 O -","- C23 H18 O -","- C184 H144 O8 -","8","1","QS3087","Pineda, Leslie W.; Arias, María Laura; Cabezas, Jorge A.","Crystal structures and biological activity of 1,1,4-triphenyl-substituted 1,3-enyne compounds","Acta Crystallographica Section C","2020","76","1","87","92","10.1107/S2053229619016127","","","1.54178","CuKα","","0.052","0.0433","","","0.1047","0.11","","","","","","1.041","","","","has coordinates,has Fobs","247890","2020-10-21","18:00:00",""
"2021849","9.6548","0.0005","22.2107","0.001","7.9248","0.0004","90","","105.749","0.001","90","","1635.6","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4-Nitrophenyl)-1,1-diphenylbut-1-en-3-yne","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C88 H60 N4 O8 -","4","1","QS3087","Pineda, Leslie W.; Arias, María Laura; Cabezas, Jorge A.","Crystal structures and biological activity of 1,1,4-triphenyl-substituted 1,3-enyne compounds","Acta Crystallographica Section C","2020","76","1","87","92","10.1107/S2053229619016127","","","0.71073","MoKα","","0.0672","0.0421","","","0.0898","0.0995","","","","","","1.037","","","","has coordinates,has Fobs","247890","2020-10-21","18:00:00",""
"2021850","14.3054","0.0003","5.8354","0.0001","19.0365","0.0004","90","","90.935","0.001","90","","1588.91","0.05","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","4-(2-Methylphenyl)-1,1-diphenylbut-1-en-3-yne","","- C23 H18 -","- C23 H18 -","- C92 H72 -","4","1","QS3087","Pineda, Leslie W.; Arias, María Laura; Cabezas, Jorge A.","Crystal structures and biological activity of 1,1,4-triphenyl-substituted 1,3-enyne compounds","Acta Crystallographica Section C","2020","76","1","87","92","10.1107/S2053229619016127","","","1.54178","CuKα","","0.0715","0.0497","","","0.1072","0.1163","","","","","","1.077","","","","has coordinates,has Fobs","247890","2020-10-21","18:00:00",""
"2021851","9.3538","0.0002","9.7899","0.0003","19.3432","0.0005","90","","90","","90","","1771.31","0.08","175","","175","","","","","","","","","5","P n a 21","P 2c -2n","33","","Diphenyl (cycloheptylamido)phosphate","","- C19 H24 N O3 P -","- C19 H24 N O3 P -","- C76 H96 N4 O12 P4 -","4","1","YO3071","Vahdani Alviri, Banafsheh; Pourayoubi, Mehrdad; Abdul Salam, Abdul Ajees; Nečas, Marek; van der Lee, Arie; Chithran, Akshara; Damodaran, Krishnan","Conformational flexibility in amidophosphoesters: a CSD analysis completed with two new crystal structures of (C~6~H~5~O)~2~P(O)<i>X</i> [<i>X</i>~= NHC~7~H~13~ and N(CH~2~C~6~H~5~)~2~]","Acta Crystallographica Section C","2020","76","1","104","116","10.1107/S2053229619016619","","","0.71073","MoKα","","0.0607","0.0522","","0.1054","0.0964","0.1028","","","","","","0.9502","","","","has coordinates,has Fobs","247888","2020-10-21","18:00:00",""
"2021852","8.3404","0.0003","9.5349","0.0005","14.9677","0.0007","76.28","0.004","75.778","0.004","72.055","0.004","1080.73","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Diphenyl (dibenzylamido)phosphate","","- C26 H24 N O3 P -","- C26 H24 N O3 P -","- C52 H48 N2 O6 P2 -","2","1","YO3071","Vahdani Alviri, Banafsheh; Pourayoubi, Mehrdad; Abdul Salam, Abdul Ajees; Nečas, Marek; van der Lee, Arie; Chithran, Akshara; Damodaran, Krishnan","Conformational flexibility in amidophosphoesters: a CSD analysis completed with two new crystal structures of (C~6~H~5~O)~2~P(O)<i>X</i> [<i>X</i>~= NHC~7~H~13~ and N(CH~2~C~6~H~5~)~2~]","Acta Crystallographica Section C","2020","76","1","104","116","10.1107/S2053229619016619","","x-ray","0.71073","MoKα","","0.0361","0.033","","","0.0837","0.086","","","","","","1.049","","","","has coordinates,has Fobs","247888","2020-10-21","18:00:00",""
"2021925","13.023","0.004","7.34","0.002","27.762","0.009","90","","97.693","0.005","90","","2629.9","1.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Dihydrazone-N,N'-bis(3-formylindole)","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis{(<i>E</i>)-[(1<i>H</i>-indol-3-yl)methylidene]hydrazinylidene}-1,2-diphenylethane","","- C32 H24 N6 -","- C32 H24 N6 -","- C128 H96 N24 -","4","1","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.1027","0.0493","","","0.0885","0.1027","","","","","","0.882","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2021926","10.2585","0.0004","11.961","0.0005","12.8232","0.0006","64.941","0.004","79.573","0.003","76.829","0.004","1381.45","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Dihydrazone-N,N'-bis(3-acetylindole)","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis{(<i>E</i>)-[1-(1<i>H</i>-indol-3-yl)ethylidene]hydrazinylidene}-1,2-diphenylethane","","- C34 H28 N6 -","- C34 H28 N6 -","- C68 H56 N12 -","2","1","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.0515","0.0444","","","0.122","0.1294","","","","","","1.045","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2021927","11.271","0.0006","11.6944","0.0007","12.5164","0.0006","79.875","0.004","87.701","0.004","64.941","0.006","1470.1","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Benzil dihydrazone-N,N'-bis(1-methyl-3-formylindole) acetonitrile solvate","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis{(<i>E</i>)-[(1-methyl-1<i>H</i>-indol-3-yl)\ methylidene]hydrazinylidene}-1,2-diphenylethane acetonitrile hemisolvate","","- C70 H59 N13 -","- C70 H59 N13 -","- C70 H59 N13 -","1","0.5","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.062","0.0494","","","0.1389","0.1514","","","","","","1.043","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2021928","26.195","0.008","9.809","0.003","11.806","0.004","90","","115.23","0.005","90","","2744.1","1.5","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Benzil dihydrazone-N,N'-bis(1-formylnaphthalene)","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis{(<i>E</i>)-[(naphthalen-1-yl)methylidene]hydrazinylidene}-1,2-diphenylethane","","- C36 H26 N4 -","- C36 H26 N4 -","- C144 H104 N16 -","4","0.5","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.1419","0.0617","","","0.1093","0.1299","","","","","","0.954","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2021929","6.8767","0.0001","8.3698","0.0002","32.6317","0.0006","90","","90","","90","","1878.17","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-2-{(<i>E</i>)-[(1<i>H</i>-Indol-3-yl)methylidene]hydrazinylidene}-\ 1,2-diphenylethanone","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C92 H68 N12 O4 -","4","1","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.0369","0.0348","","","0.0932","0.0957","","","","","","1.024","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2021930","8.358","0.0001","8.358","0.0001","54.6705","0.0007","90","","90","","90","","3819.07","0.08","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","(<i>Z</i>)-2-{(<i>E</i>)-[1-(1<i>H</i>-Indol-3-yl)ethylidene]hydrazinylidene}-\ 1,2-diphenylethanone","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C192 H152 N24 O8 -","8","1","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.0429","0.0407","","","0.1111","0.113","","","","","","1.055","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2021931","18.6779","0.0006","8.6694","0.0003","12.7956","0.0004","90","","106.91","0.004","90","","1982.36","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-{(<i>E</i>)-[(1-Methyl-1<i>H</i>-indol-3-yl)methylidene]hydrazinylidene}-1,2-diphenylethanone","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C96 H76 N12 O4 -","4","1","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.059","0.0449","","","0.1268","0.1402","","","","","","1.029","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2021932","17.2081","0.0013","9.4075","0.0008","11.9703","0.0009","90","","94.814","0.007","90","","1931","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-{(<i>E</i>)-[(Naphthalen-1-yl)methylidene]hydrazinylidene}-1,2-diphenylethanone","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C100 H72 N8 O4 -","4","1","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.158","0.052","","","0.0612","0.0828","","","","","","0.867","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2021933","9.419","0.004","8.322","0.003","14.342","0.006","90","","93.612","0.006","90","","1122","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-Phenyl-3a,4,7,7a-tetrahydro-4,7-epoxy-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","YO3069","Tan, Xue-Jie; Liu, Shuai; Hei, Xiao-Ming; Yang, Feng-Cun; He, Peng-Bing; Guo, Feng; Xing, Dian-Xiang","Structural and theoretical study of four novel norcantharidine derivatives: two new cases of conditional isomorphism","Acta Crystallographica Section C","2020","76","1","75","86","10.1107/S2053229619016164","","","0.71073","MoKα","","0.0843","0.052","","","0.1083","0.1186","","","","","","0.922","","","","has coordinates,has Fobs","246407","2020-10-21","18:00:00",""
"2021934","5.285","0.003","18.418","0.009","6.699","0.003","90","","100.105","0.007","90","","642","0.6","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-(4-Nitrophenyl)-3a,4,7,7a-tetrahydro-4,7-epoxy-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C28 H20 N4 O10 -","2","1","YO3069","Tan, Xue-Jie; Liu, Shuai; Hei, Xiao-Ming; Yang, Feng-Cun; He, Peng-Bing; Guo, Feng; Xing, Dian-Xiang","Structural and theoretical study of four novel norcantharidine derivatives: two new cases of conditional isomorphism","Acta Crystallographica Section C","2020","76","1","75","86","10.1107/S2053229619016164","","","0.71073","MoKα","","0.0868","0.0666","","","0.1572","0.1682","","","","","","0.965","","","","has coordinates,has Fobs","246407","2020-10-21","18:00:00",""
"2021935","5.3661","0.0004","18.6171","0.0016","6.6116","0.0005","90","","98.918","0.007","90","","652.52","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","norcantharidine - 4-nitraaniline","(3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-(4-nitrophenyl)-3a,4,5,6,7,7a-hexahydro-1<i>H</i>-4,7-epoxyisoindole-1,3(2<i>H</i>)-dione","","- C14 H12 N2 O5 -","- C14 H12 N2 O5 -","- C28 H24 N4 O10 -","2","1","YO3069","Tan, Xue-Jie; Liu, Shuai; Hei, Xiao-Ming; Yang, Feng-Cun; He, Peng-Bing; Guo, Feng; Xing, Dian-Xiang","Structural and theoretical study of four novel norcantharidine derivatives: two new cases of conditional isomorphism","Acta Crystallographica Section C","2020","76","1","75","86","10.1107/S2053229619016164","","","1.54184","CuKα","","0.0447","0.0403","","","0.1022","0.1091","","","","","","1.059","","","","has coordinates,has Fobs","246407","2020-10-21","18:00:00",""
"2021936","10.035","0.0017","5.5937","0.0013","8.9634","0.0017","90","","90","","90","","503.14","0.17","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","norcantharidine - 2-aminoethanol","(3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-(2-Hydroxyethyl)-3a,4,5,6,7,7a-hexahydro-1<i>H</i>-4,7-epoxyisoindole-1,3(2<i>H</i>)-dione","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C20 H26 N2 O8 -","2","0.5","YO3069","Tan, Xue-Jie; Liu, Shuai; Hei, Xiao-Ming; Yang, Feng-Cun; He, Peng-Bing; Guo, Feng; Xing, Dian-Xiang","Structural and theoretical study of four novel norcantharidine derivatives: two new cases of conditional isomorphism","Acta Crystallographica Section C","2020","76","1","75","86","10.1107/S2053229619016164","","","1.54184","CuKα","","0.0588","0.0448","","","0.0899","0.099","","","","","","1.067","","","","has coordinates,has Fobs","246407","2020-10-21","18:00:00",""
"2021937","16.908","0.0011","8.432","0.0006","34.872","0.003","90","","102.782","0.002","90","","4848.4","0.6","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Poly[[tris{μ-1,3-bis[(imidazol-1-yl)methyl]benzene}bis[μ~3~-4,4',4''-(1,3,5-triazine-2,4,6-triyl)tribenzoato]trizinc(II)] dimethylformamide disolvate trihydrate]","","- C96 H86 N20 O17 Zn3 -","- C96 H84 N20 O17 Zn3 -","- C192 H168 N40 O34 Zn6 -","2","1","QF3030","Wang, Saier; Bi, Rong; Liu, Jiadi; Shi, Ying; Wang, Kuaibing; Mao, Feifei; Wu, Hua","A self-penetrated three-dimensional zinc(II) coordination framework based on 4,4',4''-(1,3,5-triazine-2,4,6-triyl)tribenzoic acid and 1,3-bis[(imidazol-1-yl)methyl]benzene ligands: synthesis, structure and properties","Acta Crystallographica Section C","2020","76","1","10","16","10.1107/S2053229619015547","","","0.71073","MoKα","","0.0635","0.058","","","0.1575","0.1616","","","","","","1.083","","","","has coordinates","246408","2020-10-21","18:00:00",""
"2021938","18.632","0.003","19.933","0.003","4.3095","0.0006","90","","90","","90","","1600.5","0.4","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","Bis(5-amino-1,2,4-triazol-3-yl)methane","","- C5 H8 N8 -","- C5 H8 N8 -","- C40 H64 N64 -","8","0.5","QS3089","Li, Hongya; Yan, Biao; Ma, Haixia; Sun, Zhiyong; Ma, Yajun; Zhang, Zhifang","Crystal structure, thermodynamic properties and detonation characterization of bis(5-amino-1,2,4-triazol-3-yl)methane","Acta Crystallographica Section C","2020","76","1","64","68","10.1107/S2053229619016231","","","0.71073","MoKα","","0.0314","0.0284","","","0.0666","0.0681","","","","","","1.074","","","","has coordinates,has Fobs","246409","2020-10-21","18:00:00",""
"2021939","21.086","0.002","8.0671","0.0009","15.9578","0.0018","90","","103.623","0.002","90","","2638.1","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[μ-5,5'-bis(1<i>H</i>-imidazol-1-yl)-2,2'-bithiophene-κ^2^<i>N</i>:<i>N</i>'](μ~2~-4,4'-oxydibenzoato-κ^2^<i>O</i>:<i>O</i>')copper(II)]","","- C28 H18 Cu N4 O5 S2 -","- C28 H18 Cu N4 O5 S2 -","- C112 H72 Cu4 N16 O20 S8 -","4","0.5","LF3106","Shi, Zhi-Qiang; Ji, Ning-Ning; Hu, Hai-Liang","One-pot concomitant preparation of two copper(II) coordination polymers with different configurations of bridging bithiophene ligands","Acta Crystallographica Section C","2020","76","1","37","43","10.1107/S2053229619016024","","","0.71073","MoKα","","0.0341","0.0294","","","0.0923","0.0954","","","","","","1.038","","","","has coordinates,has Fobs","246410","2020-10-21","18:00:00",""
"2021940","11.14","0.003","12.522","0.004","14.911","0.005","74.487","0.005","87.709","0.005","79.511","0.006","1970.7","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[μ-aqua-bis[μ-5,5'-bis(1<i>H</i>-imidazol-1-yl)-2,2'-bithiophene-κ^2^<i>N</i>:<i>N</i>']bis(μ~3~-4,4'-oxydibenzoato)-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'';κ^4^<i>O</i>:<i>O</i>',<i>O</i>'':<i>O</i>'-dicopper(II)]","","- C42 H28 Cu2 N4 O11 S2 -","- C42 H28 Cu2 N4 O11 S2 -","- C84 H56 Cu4 N8 O22 S4 -","2","1","LF3106","Shi, Zhi-Qiang; Ji, Ning-Ning; Hu, Hai-Liang","One-pot concomitant preparation of two copper(II) coordination polymers with different configurations of bridging bithiophene ligands","Acta Crystallographica Section C","2020","76","1","37","43","10.1107/S2053229619016024","","","0.71073","MoKα","","0.047","0.038","","","0.1215","0.1278","","","","","","1.042","","","","has coordinates,has Fobs","246410","2020-10-21","18:00:00",""
"2021941","7.4985","0.0005","11.3099","0.0007","14.7152","0.0007","101.142","0.005","95.336","0.005","99.286","0.006","1198.41","0.13","120","2","120.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[diaqua{μ~4~-1,1,2,2-tetrakis[4-(1<i>H</i>-1,2,4-triazol-1-yl)phenyl]ethylene-κ^4^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>'''}cobalt(II)] benzene-1,4-dicarboxylic acid benzene-1,4-dicarboxylate]","","- C50 H38 Co N12 O10 -","- C50 H38 Co N12 O10 -","- C50 H38 Co N12 O10 -","1","0.5","OV3134","Wang, Zhi-Xiang; Tian, Hai-Xin; Ding, Jian-Gang; Li, Bao-Long; Wu, Bing","A Co-MOF with a (4,4)-connected binodal two-dimensional topology: synthesis, structure and photocatalytic properties","Acta Crystallographica Section C","2020","76","1","23","29","10.1107/S2053229619016097","","","0.71073","MoKα","","0.1072","0.0588","","","0.1124","0.1399","","","","","","1.042","","","","has coordinates,has Fobs","246411","2020-10-21","18:00:00",""
"2021942","8.3729","0.0002","8.3729","0.0002","20.0206","0.0006","90","","90","","120","","1215.51","0.05","293","2","293","2","","","","","","","","5","P 32","P 32","145","","<i>N</i>-(2,6-Dimethylphenyl)-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-\ benzothiazine-3-carboxamide","","- C17 H16 N2 O4 S -","- C17 H16 N2 O4 S -","- C51 H48 N6 O12 S3 -","3","1","KU3258","Shishkina, Svitlana V.; Ukrainets, Igor V.; Vashchenko, Olga V.; Voloshchuk, Natali I.; Bondarenko, Pavlo S.; Petrushova, Lidiya A.; Sim, Galina","Biological properties of two enantiomorphic forms of <i>N</i>-(2,6-dimethylphenyl)-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide, a structural analogue of piroxicam","Acta Crystallographica Section C","2020","76","1","69","74","10.1107/S2053229619016450","","","0.71073","MoKα","","0.0473","0.0363","","","0.0867","0.0929","","","","","","1.041","","","","has coordinates,has Fobs","246412","2020-10-21","18:00:00",""
"2021943","8.3735","0.0003","8.3735","0.0003","20.0299","0.0008","90","","90","","120","","1216.25","0.08","293","2","293","2","","","","","","","","5","P 31","P 31","144","","<i>N</i>-(2,6-Dimethylphenyl)-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-\ benzothiazine-3-carboxamide","","- C17 H16 N2 O4 S -","- C17 H16 N2 O4 S -","- C51 H48 N6 O12 S3 -","3","1","KU3258","Shishkina, Svitlana V.; Ukrainets, Igor V.; Vashchenko, Olga V.; Voloshchuk, Natali I.; Bondarenko, Pavlo S.; Petrushova, Lidiya A.; Sim, Galina","Biological properties of two enantiomorphic forms of <i>N</i>-(2,6-dimethylphenyl)-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide, a structural analogue of piroxicam","Acta Crystallographica Section C","2020","76","1","69","74","10.1107/S2053229619016450","","","0.71073","MoKα","","0.0599","0.0445","","","0.092","0.102","","","","","","1.001","","","","has coordinates,has Fobs","246412","2020-10-21","18:00:00",""
"2021948","15.3994","0.0002","11.5152","0.0001","7.8087","0.0001","90","","90","","90","","1384.69","0.03","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(2,6-Dimethylphenoxy)ethyl]piperidin-4-ol","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C60 H92 N4 O8 -","4","1","FN3328","Żesławska, Ewa; Kalinowska-Tłuścik, Justyna; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M.","Influence of the position of the methyl substituent and <i>N</i>-oxide formation on the geometry and intermolecular interactions of 1-(phenoxyethyl)piperidin-4-ol derivatives","Acta Crystallographica Section C","2020","76","1","30","36","10.1107/S2053229619015948","","x-ray","0.71073","MoKα","","0.0403","0.0346","","","0.0908","0.097","","","","","","0.842","","","","has coordinates,has Fobs","246414","2020-10-21","18:00:00",""
"2021949","8.517","0.0002","10.019","0.0002","32.323","0.0007","90","","90","","90","","2758.18","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Compound X","1-[(2,3-Dimethylphenoxy)ethyl]piperidin-4-ol","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C120 H184 N8 O16 -","8","1","FN3328","Żesławska, Ewa; Kalinowska-Tłuścik, Justyna; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M.","Influence of the position of the methyl substituent and <i>N</i>-oxide formation on the geometry and intermolecular interactions of 1-(phenoxyethyl)piperidin-4-ol derivatives","Acta Crystallographica Section C","2020","76","1","30","36","10.1107/S2053229619015948","","","0.71073","MoKα","","0.0655","0.0434","","","0.0862","0.0953","","","","13.639","13.639","1.046","","","","has coordinates,has Fobs","246414","2020-10-21","18:00:00",""
"2021950","19.3892","0.0003","6.1746","0.0001","12.6588","0.0002","90","","100.87","0.001","90","","1488.33","0.04","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(2,3-Dimethylphenoxy)ethyl]piperidin-4-ol <i>N</i>-oxide monohydrate","","- C15 H25 N O4 -","- C15 H25 N O4 -","- C60 H100 N4 O16 -","4","1","FN3328","Żesławska, Ewa; Kalinowska-Tłuścik, Justyna; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M.","Influence of the position of the methyl substituent and <i>N</i>-oxide formation on the geometry and intermolecular interactions of 1-(phenoxyethyl)piperidin-4-ol derivatives","Acta Crystallographica Section C","2020","76","1","30","36","10.1107/S2053229619015948","","x-ray","0.71073","MoKα","","0.05","0.0406","","","0.0977","0.1041","","","","","","1.046","","","","has coordinates,has Fobs","246414","2020-10-21","18:00:00",""
"2021951","8.2608","0.0008","14.0676","0.0013","11.5967","0.0011","90","","97.9839","0.0016","90","","1334.6","0.2","10","2","10","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Mn(PaPy3)(NO)](ClO4).2(CH3CN)","(<i>N</i>-{2-[Bis(pyridin-2-ylmethyl)amino]ethyl}pyridine-2-carboxamidato)(nitric oxide)manganese perchlorate acetonitrile disolvate","","- C24 H26 Cl Mn N8 O6 -","- C24 H26 Cl Mn N8 O6 -","- C48 H52 Cl2 Mn2 N16 O12 -","2","1","OP3001","Olmstead, Marilyn M.","Bond length of perchlorate at different temperatures: X-ray and neutron comparison","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000388","","","0.71073","MoKα","","0.0357","0.0338","","","0.0854","0.0869","","","","","","1.037","","","","has coordinates,has Fobs","246946","2020-10-21","18:00:00",""
"2021952","8.2788","0.0003","14.0816","0.0006","11.6343","0.0005","90","","98.0814","0.0007","90","","1342.84","0.09","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Mn(PaPy3)(NO)](ClO4).2(CH3CN)","(<i>N</i>-{2-[Bis(pyridin-2-ylmethyl)amino]ethyl}pyridine-2-carboxamidato)(nitric oxide)manganese perchlorate acetonitrile disolvate","","- C24 H26 Cl Mn N8 O6 -","- C24 H26 Cl Mn N8 O6 -","- C48 H52 Cl2 Mn2 N16 O12 -","2","1","OP3001","Olmstead, Marilyn M.","Bond length of perchlorate at different temperatures: X-ray and neutron comparison","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000388","","","0.71073","MoKα","","0.027","0.0251","","","0.0593","0.0605","","","","","","1.029","","","","has coordinates,has Fobs","246946","2020-10-21","18:00:00",""
"2021953","8.3188","0.0004","14.1117","0.0006","11.6994","0.0005","90","","98.3222","0.0007","90","","1358.96","0.1","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Mn(PaPy3)(NO)](ClO4).2(CH3CN)","(<i>N</i>-{2-[Bis(pyridin-2-ylmethyl)amino]ethyl}pyridine-2-carboxamidato)(nitric oxide)manganese perchlorate acetonitrile disolvate","","- C24 H26 Cl Mn N8 O6 -","- C24 H26 Cl Mn N8 O6 -","- C48 H52 Cl2 Mn2 N16 O12 -","2","1","OP3001","Olmstead, Marilyn M.","Bond length of perchlorate at different temperatures: X-ray and neutron comparison","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000388","","","0.71073","MoKα","","0.0332","0.0296","","","0.0698","0.0717","","","","","","1.038","","","","has coordinates,has Fobs","246946","2020-10-21","18:00:00",""
"2021954","7.134","0.003","9.882","0.003","10.3","0.004","90","","100.484","0.004","90","","714","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[diaqua[μ~4~-2,5-bis(1<i>H</i>-1,2,4-triazol-1-yl)terephthalato]cobalt(II)]","","- C12 H10 Co N6 O6 -","- C12 H10 Co N6 O6 -","- C24 H20 Co2 N12 O12 -","2","0.5","LF3111","Cai, Hua; Li, Na; Zhang, Nan; Yang, Zhenyun; Cao, Jing; Lin, Yating; Min, Nan; Wang, Jia","Metal-directed supramolecular architectures based on the bifunctional ligand 2,5-bis(1H-1,2,4-triazol-1-yl)terephthalic acid","Acta Crystallographica Section C Structural Chemistry","2020","76","2","","","10.1107/S2053229620000248","","","0.71073","MoKα","","0.0782","0.0484","","","0.1085","0.1222","","","","","","1.047","","","","has coordinates,has Fobs","246947","2020-10-21","18:00:00",""
"2021955","7.3533","0.0011","7.9541","0.0012","8.1396","0.0012","65.416","0.002","88.89","0.002","69.788","0.002","401.92","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaqua[μ~4~-2,5-bis(1<i>H</i>-1,2,4-triazol-1-yl)terephthalato]nickel(II)] dihydrate]","","- C12 H14 N6 Ni O8 -","- C12 H14 N6 Ni O8 -","- C12 H14 N6 Ni O8 -","1","0.5","LF3111","Cai, Hua; Li, Na; Zhang, Nan; Yang, Zhenyun; Cao, Jing; Lin, Yating; Min, Nan; Wang, Jia","Metal-directed supramolecular architectures based on the bifunctional ligand 2,5-bis(1H-1,2,4-triazol-1-yl)terephthalic acid","Acta Crystallographica Section C Structural Chemistry","2020","76","2","","","10.1107/S2053229620000248","","","0.71073","MoKα","","0.0384","0.0325","","","0.0708","0.0735","","","","","","1.055","","","","has coordinates,has Fobs","246947","2020-10-21","18:00:00",""
"2021956","15.7712","0.001","13.0392","0.0008","13.0556","0.0008","90","","90","","90","","2684.8","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","6-Amino-7<i>H</i>-purine-1,9-diium tetrachloridogold(III) chloride monohydrate","","- C5 H9 Au Cl5 N5 O -","- C5 H9 Au Cl5 N5 O -","- C40 H72 Au8 Cl40 N40 O8 -","8","2","JX3049","Savchenkov, Anton; Demina, Ludmila; Safonov, Alexey; Grigoriev, Mikhail; Solovov, Roman; Abkhalimov, Evgeny","Syntheses and crystal structures of new aurate salts of adenine or guanine nucleobases","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229619016656","","","0.71073","MoKα","","0.0217","0.0195","","","0.0377","0.0383","","","","","","1.054","","","","has coordinates,has Fobs","246948","2020-10-21","18:00:00",""
"2021957","8.1408","0.0002","11.9063","0.0004","12.4678","0.0004","84.918","0.002","84.475","0.002","85.649","0.001","1195.35","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","2-Amino-6-oxo-6,7-dihydro-1<i>H</i>-purin-9-ium tetrachloridogold(III) hemihydrate","","- C5 H7 Au Cl4 N5 O1.5 -","- C5 H7 Au Cl4 N5 O1.5 -","- C20 H28 Au4 Cl16 N20 O6 -","4","2","JX3049","Savchenkov, Anton; Demina, Ludmila; Safonov, Alexey; Grigoriev, Mikhail; Solovov, Roman; Abkhalimov, Evgeny","Syntheses and crystal structures of new aurate salts of adenine or guanine nucleobases","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229619016656","","","0.71073","MoKα","","0.0326","0.0266","","","0.0637","0.0661","","","","","","1.035","","","","has coordinates,has Fobs","246948","2020-10-21","18:00:00",""
"2021958","8.288","0.0004","14.3767","0.0007","10.2288","0.0006","90","","104.514","0.005","90","","1179.91","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[[μ-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene][μ-(<i>S</i>)-4-(1-carboxylatoethoxy)benzoato]zinc(II)] monohydrate]","","- C24 H24 N4 O6 Zn -","- C24 H24 N4 O6 Zn -","- C48 H48 N8 O12 Zn2 -","2","1","JX3053","Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng","Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000182","","x-ray","0.71073","MoKα","","0.0343","0.0297","","","0.0735","0.0754","","","","","","1.001","","","","has coordinates,has Fobs","246949","2020-10-21","18:00:00",""
"2021959","8.2888","0.0005","14.3618","0.0007","10.2195","0.0007","90","","104.509","0.007","90","","1177.75","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[[μ-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene][μ-(<i>R</i>)-4-(1-carboxylatoethoxy)benzoato]zinc(II)] monohydrate]","","- C24 H24 N4 O6 Zn -","- C24 H24 N4 O6 Zn -","- C48 H48 N8 O12 Zn2 -","2","1","JX3053","Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng","Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000182","","x-ray","0.71073","MoKα","","0.0341","0.0299","","","0.0734","0.0752","","","","","","1.024","","","","has coordinates,has Fobs","246949","2020-10-21","18:00:00",""
"2021960","9.0631","0.0008","11.8412","0.0007","11.6382","0.001","90","","112.456","0.01","90","","1154.28","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[μ-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene][μ-(<i>S</i>)-4-(1-carboxylatoethoxy)benzoato]zinc(II)]","","- C24 H22 N4 O5 Zn -","- C24 H22 N4 O5 Zn -","- C48 H44 N8 O10 Zn2 -","2","1","JX3053","Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng","Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000182","","x-ray","0.71073","MoKα","","0.0373","0.031","","","0.0729","0.0754","","","","","","0.974","","","","has coordinates,has Fobs","246949","2020-10-21","18:00:00",""
"2021961","9.0571","0.0006","11.8439","0.0006","11.6393","0.0007","90","","112.441","0.008","90","","1154.01","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[μ-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene][μ-(<i>R</i>)-4-(1-carboxylatoethoxy)benzoato]zinc(II)]","","- C24 H22 N4 O5 Zn -","- C24 H22 N4 O5 Zn -","- C48 H44 N8 O10 Zn2 -","2","1","JX3053","Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng","Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000182","","x-ray","0.71073","MoKα","","0.029","0.0265","","","0.0691","0.0703","","","","","","1.051","","","","has coordinates,has Fobs","246949","2020-10-21","18:00:00",""
"2021962","12.188","0.001","15.6516","0.001","22.7466","0.0019","90","","95.989","0.003","90","","4315.5","0.6","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[diaquabis{μ~2~-1,4-bis[(2-methyl-1<i>H</i>-imidazol-1-yl)methyl]benzene}bis(μ~2~-glutarato)dinickel(II)] monohydrate]","","- C42 H54 N8 Ni2 O11 -","- C42 H54 N8 Ni2 O11 -","- C168 H216 N32 Ni8 O44 -","4","0.5","DG3002","Zhao, Fang-Hua; Li, Zhong-Lin; Zhang, Shu-Fang; Han, Jian-Hui; Zhang, Mei; Han, Jun; Lin, Yu-Wen; You, Jin-Mao","Two new Ni^II^ and Zn^II^ metal‒organic frameworks of glutarate and 1,4-bis[(2-methyl-1<i>H</i>-imidazol-1-yl)methyl]benzene ligands: syntheses, structures and luminescence sensing properties","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000042","","","0.71073","MoKα","","0.0451","0.0366","","","0.0891","0.0945","","","","","","1.053","","","","has coordinates,has Fobs","246950","2020-10-21","18:00:00",""
"2021963","9.6488","0.0005","17.7245","0.0012","14.9109","0.001","90","","96.47","0.002","90","","2533.8","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[{μ~2~-1,4-bis[(2-methyl-1<i>H</i>-imidazol-1-yl)methyl]benzene}(μ~2~-glutarato)zinc(II)] tetrahydrate]","","- C21 H32 N4 O8 Zn -","- C21 H32 N4 O8 Zn -","- C84 H128 N16 O32 Zn4 -","4","1","DG3002","Zhao, Fang-Hua; Li, Zhong-Lin; Zhang, Shu-Fang; Han, Jian-Hui; Zhang, Mei; Han, Jun; Lin, Yu-Wen; You, Jin-Mao","Two new Ni^II^ and Zn^II^ metal‒organic frameworks of glutarate and 1,4-bis[(2-methyl-1<i>H</i>-imidazol-1-yl)methyl]benzene ligands: syntheses, structures and luminescence sensing properties","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000042","","","0.71073","MoKα","","0.0484","0.0348","","","0.0783","0.0849","","","","","","1.047","","","","has coordinates,has Fobs","246950","2020-10-21","18:00:00",""
"2021964","14.8316","0.0002","15.2679","0.0001","23.237","0.0002","89.1396","0.0007","78.1097","0.0007","75.4959","0.0008","4981.24","0.09","95","0.6","95","","","","","","","","","6","P -1","-P 1","2","","Nonakis(2-methoxyaniline) bis(diphosphopentamolybdate) trihydrate","","- C59.5 H76.5 Mo10 N8.5 O60.029 P4 -","- C63 H90 Mo10 N9 O58 P4 -","- C126 H180 Mo20 N18 O116 P8 -","2","1","YD3001","Skorepova, Eliska; Harchani, Ali; Ftini, Mohamed Mongi; Dušek, Michal; Haddad, Amor","Crystal structure of a new polyoxometalate (POM) compound with a high level of crystallographic disorder","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229619015596","","x-ray","1.54184","CuKα","","0.0958","0.0828","","","0.2124","0.2187","","","","2.93","2.93","2.74","","","","has coordinates,has Fobs","246997","2020-10-21","18:00:00",""
"2021965","20.089","0.003","11.1502","0.0017","21.972","0.003","90","","97.945","0.005","90","","4874.4","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-(Acetonitrile-κ<i>N</i>)(3-aminopyridine-κ<i>N</i>)[2,2'-bis(diphenylphosphanyl)-1,1'-binaphthyl-κ^2^<i>P</i>,<i>P</i>']copper(I) hexafluoridophosphate dichloromethane monosolvate","","- C52 H43 Cl2 Cu F6 N3 P3 -","- C52 H43 Cl2 Cu F6 N3 P3 -","- C208 H172 Cl8 Cu4 F24 N12 P12 -","4","1","OV3136","Wang, Dan-Dan; Wang, Jian-Teng; Song, Li; Wang, You-Yu; Chai, Wen-Xiang","A new heteroleptic phosphorescent cuprous complex supported by a BINAP ligand: synthesis, structure, luminescence properties and theoretical analyses","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000601","","","0.71073","MoKα","","0.0714","0.0579","","","0.1697","0.1837","","","","","","1.033","","","","has coordinates,has Fobs","247405","2020-10-21","18:00:00",""
"2021966","7.49","0.0015","9.42","0.0019","9.6533","0.0019","117.97","0.03","93.19","0.03","99.12","0.03","587.3","0.3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquabis(μ~4~-1<i>H</i>-benzimidazole-5,6-dicarboxylato-κ^6^<i>N</i>^3^:<i>O</i>^5^,<i>O</i>^5'^:<i>O</i>^5^,<i>O</i>^6^:<i>O</i>^6'^)(μ~2~-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)dieuropium(III)] dihydrate]","","- C20 H16 Eu2 N4 O16 -","- C20 H16 Eu2 N4 O16 -","- C20 H16 Eu2 N4 O16 -","1","0.5","JX3052","Zheng, Wenxu; Wu, Kechen","Anion-directed assemblies of europium(III) coordination polymers based on 1<i>H</i>-benzimidazole-5,6-dicarboxylate: structures and luminescence properties","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000637","","","0.71073","MoKα","","0.0452","0.0387","","","0.0747","0.0795","","","","","","1.104","","","","has coordinates,has Fobs","247406","2020-10-21","18:00:00",""
"2021967","6.961","0.0007","7.9482","0.0009","10.9901","0.0013","101.579","0.004","106.761","0.004","95.588","0.004","562.51","0.11","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","Poly[(μ~3~-1<i>H</i>-benzimidazol-3-ium-5,6-dicarboxylato-κ^5^<i>O</i>^5^:<i>O</i>^5'^,<i>O</i>^6^:<i>O</i>^6^,<i>O</i>^6'^)(μ~3~-sulfato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')europium(III)]","","- C9 H5 Eu N2 O8 S -","- C9 H5 Eu N2 O8 S -","- C18 H10 Eu2 N4 O16 S2 -","2","1","JX3052","Zheng, Wenxu; Wu, Kechen","Anion-directed assemblies of europium(III) coordination polymers based on 1<i>H</i>-benzimidazole-5,6-dicarboxylate: structures and luminescence properties","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000637","","","0.71073","MoKα","","0.0343","0.0278","","","0.0555","0.0583","","","","","","1.111","","","","has coordinates,has Fobs","247406","2020-10-21","18:00:00",""
"2021968","7.185","0.003","12.917","0.006","13.697","0.006","90","","90","","90","","1271.2","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Deferiprone","3-Hydroxy-1,2-dimethylpyridin-4-one","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C56 H72 N8 O16 -","8","1","CU3158","Rajendrakumar, Satyasree; Durga, Anuja Surampudi Venkata Sai; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar","Two novel polymorphic forms of iron-chelating agent deferiprone","Acta Crystallographica Section C","2020","76","2","193","200","10.1107/S2053229620000959","","","0.71073","MoKα","","0.0434","0.0416","","","0.1149","0.1165","","","","","","1.107","","","","has coordinates,has Fobs","247437","2020-10-21","18:00:00",""
"2021969","6.4847","0.0001","13.6853","0.0003","7.1462","0.0001","90","","95.6583","0.0008","90","","631.1","0.019","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Deferiprone","3-Hydroxy-1,2-dimethylpyridin-4-one","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C28 H36 N4 O8 -","4","1","CU3158","Rajendrakumar, Satyasree; Durga, Anuja Surampudi Venkata Sai; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar","Two novel polymorphic forms of iron-chelating agent deferiprone","Acta Crystallographica Section C","2020","76","2","193","200","10.1107/S2053229620000959","","","0.71073","MoKα","","0.0462","0.0389","","","0.1006","0.1046","","","","","","1.068","","","","has coordinates,has Fobs","247437","2020-10-21","18:00:00",""
"2021970","19.4132","0.0008","13.7057","0.0007","7.1809","0.0007","90","","91.775","0.001","90","","1909.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Deferiprone","3-Hydroxy-1,2-dimethylpyridin-4-one","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C84 H108 N12 O24 -","12","3","CU3158","Rajendrakumar, Satyasree; Durga, Anuja Surampudi Venkata Sai; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar","Two novel polymorphic forms of iron-chelating agent deferiprone","Acta Crystallographica Section C","2020","76","2","193","200","10.1107/S2053229620000959","","","0.71073","MoKα","","0.0647","0.0472","","","0.1167","0.1259","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","247437","2020-10-21","18:00:00",""
"2021971","6.1728","0.0003","12.3721","0.0006","13.6788","0.0007","84.302","0.002","80.846","0.002","80.909","0.002","1015.45","0.09","100","2","100","2","","","","","","","","3","P 1","P 1","1","Sclareol methanol monosolvate","(3<i>S</i>)-4-[(<i>S</i>)-3-Hydroxy-3-methylpent-4-en-1-yl]-3,4a,8,8-tetramethyldecahydronaphthalen-3-ol methanol monosolvate","","- C21 H40 O3 -","- C21 H40 O3 -","- C42 H80 O6 -","2","2","HB7890","Bibi, Memoona; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of the methanol solvate of sclareol, a labdane-type diterpenoid","Acta Crystallographica Section E Crystallographic Communications","2020","76","3","294","","10.1107/S2056989020001474","","","1.54178","CuKα","","0.0375","0.0373","","","0.11","0.1102","","","","","","1.014","","","","has coordinates,has Fobs","247943","2020-10-21","18:00:00",""
"2021972","8.15","0.002","8.15","0.003","13.092","0.003","90","","90","","120","","753.1","0.4","297","2","297","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","Tetraethylammonium tetrathiorhenate","","- C8 H20 N Re S4 -","- C8.0016 H20.004 N1.0002 Re S4 -","- C16.0032 H40.008 N2.0004 Re2 S8 -","2","0.166667","EF3002","Bernhardt, Eduard; Herbst-Irmer, Regine","Phase transition and structures of the twinned low-temperature phases of (Et~4~N)[ReS~4~]","Acta Crystallographica Section C","2020","76","3","","","10.1107/S205322961901725X","","","0.71073","MoKα","","0.0333","0.0208","","","0.0429","0.0475","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","247978","2020-10-21","18:00:00",""
"2021973","24.17","0.003","24.17","0.003","12.916","0.002","90","","90","","120","","6534.5","1.5","109.9","0.3","109.9","0.3","","","","","","","","5","P 63","P 6c","173","","Tetraethylammonium tetrathiorhenate","","- C8 H20 N Re S4 -","- C8 H20 N Re S4 -","- C144 H360 N18 Re18 S72 -","18","3","EF3002","Bernhardt, Eduard; Herbst-Irmer, Regine","Phase transition and structures of the twinned low-temperature phases of (Et~4~N)[ReS~4~]","Acta Crystallographica Section C","2020","76","3","","","10.1107/S205322961901725X","","","0.71073","MoKα","","0.0354","0.0283","","","0.0452","0.0481","","","","","","1.048","","","","has coordinates,has Fobs","247978","2020-10-21","18:00:00",""
"2021974","7.9","0.002","12.842","0.003","8.118","0.002","90","","119.04","0.02","90","","720","0.3","149.9","0.3","149.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","Tetraethylammonium tetrathiorhenate","","- C8 H20 N Re S4 -","- C8 H20 N Re S4 -","- C16 H40 N2 Re2 S8 -","2","1","EF3002","Bernhardt, Eduard; Herbst-Irmer, Regine","Phase transition and structures of the twinned low-temperature phases of (Et~4~N)[ReS~4~]","Acta Crystallographica Section C","2020","76","3","","","10.1107/S205322961901725X","","","0.71073","MoKα","","0.0525","0.0519","","","0.136","0.1378","","","","","","1.085","","","","has coordinates,has Fobs","247978","2020-10-21","18:00:00",""
"2021975","14.7387","0.0004","16.6445","0.0003","17.897","0.0004","84.662","0.002","73.498","0.002","68.886","0.002","3926.8","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","4,10-Dimethoxy-13-(pyridin-3-yl)-6<i>H</i>,12<i>H</i>-6,12-epiminodibenzo[<i>b</i>,<i>f</i>][1,5]dithiocine methanol 0.463-solvate","","- C21.46 H19.85 N2 O2.46 S2 -","- C21.4635 H19.854 N2 O2.4635 S2 -","- C171.708 H158.832 N16 O19.708 S16 -","8","4","EP3003","Mambourg, Kalina; Bodart, Laurie; Tumanov, Nikolay; Lanners, Steve; Wouters, Johan","Synthesis, crystal structure and conformational analysis of an unexpected [1,5]dithiocine product of aminopyridine and thiovanillin","Acta Crystallographica Section C Structural Chemistry","2020","76","3","","","10.1107/S2053229620000996","","","1.54184","CuKα","","0.0398","0.0357","","","0.0977","0.1021","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","247979","2020-10-21","18:00:00",""
"2021976","8.5168","0.0003","6.6031","0.0002","23.3468","0.0007","90","","90.737","0.003","90","","1312.85","0.07","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-Methoxy-2-phenyl-3,4-dihydro-2<i>H</i>-1-benzopyran-4-one","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","KU3259","Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła","Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001503","","","0.71073","MoKα","","0.0508","0.0483","","","0.1105","0.1122","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","247980","2020-10-21","18:00:00",""
"2021977","12.7692","0.0002","8.5258","0.0001","23.182","0.0003","90","","90","","90","","2523.77","0.06","100","0.1","100","0.1","","","","","","","","3","P b c n","-P 2n 2ab","60","","2-(4-Methoxyphenyl)-3,4-dihydro-2<i>H</i>-1-benzopyran-4-one","","- C16 H14 O3 -","- C16 H14 O3 -","- C128 H112 O24 -","8","1","KU3259","Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła","Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001503","","","0.71073","MoKα","","0.063","0.0559","","","0.1368","0.1436","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","247980","2020-10-21","18:00:00",""
"2021978","16.7561","0.0003","8.0448","0.0001","21.3319","0.0004","90","","110.138","0.002","90","","2699.74","0.08","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(4-Methoxyphenyl)-6-methyl-3,4-dihydro-2<i>H</i>-1-benzopyran-4-one","","- C17 H16 O3 -","- C17 H16 O3 -","- C136 H128 O24 -","8","2","KU3259","Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła","Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001503","","","0.71073","MoKα","","0.0507","0.0435","","","0.1026","0.1075","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","247980","2020-10-21","18:00:00",""
"2021979","6.476","0.0002","16.2902","0.0004","11.6755","0.0004","90","","97.953","0.003","90","","1219.86","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-3,4-dihydro-2<i>H</i>-1-benzopyran-4-one","","- C15 H11 Cl O2 -","- C15 H11 Cl O2 -","- C60 H44 Cl4 O8 -","4","1","KU3259","Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła","Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001503","","","0.71073","MoKα","","0.0285","0.0274","","","0.0722","0.0732","","","","","","1.058","","","","has coordinates,has Fobs","247980","2020-10-21","18:00:00",""
"2021980","15.2121","0.0007","8.7614","0.0002","20.726","0.0006","90","","92.458","0.003","90","","2759.81","0.16","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-Bromo-6-methyl-2-phenyl-3,4-dihydro-2<i>H</i>-1-benzopyran-4-one","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C128 H104 Br8 O16 -","8","2","KU3259","Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła","Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001503","","","0.71073","MoKα","","0.0589","0.0427","","","0.0863","0.0951","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","247980","2020-10-21","18:00:00",""
"2021981","25.297","0.002","4.0469","0.0002","12.639","0.0016","90","","90","","90","","1293.9","0.2","100","1","100","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","(2<i>E</i>)-1-(2-Hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","KU3259","Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła","Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001503","","","0.71073","MoKα","","0.0287","0.0279","","","0.0769","0.0775","","","","","","1.05","","","","has coordinates,has Fobs","247980","2020-10-21","18:00:00",""
"2021982","3.9413","0.0002","17.3664","0.0008","17.236","0.0009","90","","94.504","0.005","90","","1176.1","0.1","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","(2<i>E</i>)-1-(2-Hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","2","KU3259","Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła","Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001503","","","0.71073","MoKα","","0.0341","0.0299","","","0.0706","0.0726","","","","","","1.043","","","","has coordinates,has Fobs","247980","2020-10-21","18:00:00",""
"2021983","9.7038","0.0003","10.5386","0.0001","15.3898","0.0004","90","","129.196","0.004","90","","1219.7","0.09","130","1","130","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-Aminothiocytosine","4,6-Diamino-1,2-dihydropyrimidine-2-thione","","- C4 H6 N4 S -","- C4 H6 N4 S -","- C32 H48 N32 S8 -","8","2","SK3742","Grześkiewicz, Anita M.; Ostrowska, Agata; Kubicki, Maciej","Solvent influence on the crystal packing of 6-aminothiocytosine","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001692","","","1.54184","CuKα","","0.0368","0.0357","","","0.1035","0.1044","","","","","","1.133","","","","has coordinates,has Fobs","248147","2020-10-21","18:00:00",""
"2021984","9.7682","0.0006","13.3671","0.0013","16.5201","0.0014","90","","99.03","0.007","90","","2130.3","0.3","130","1","130","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-Aminothiocytosine dimethylformamide monosolvate","4,6-Diamino-1,2-dihydropyrimidine-2-thione dimethylformamide monosolvate","","- C7 H13 N5 O S -","- C7 H13 N5 O S -","- C56 H104 N40 O8 S8 -","8","2","SK3742","Grześkiewicz, Anita M.; Ostrowska, Agata; Kubicki, Maciej","Solvent influence on the crystal packing of 6-aminothiocytosine","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001692","","x-ray","1.54184","CuKα","","0.1073","0.0869","","","0.2117","0.2243","","","","","","1.104","","","","has coordinates,has Fobs","248147","2020-10-21","18:00:00",""
"2021985","8.5495","0.0007","11.055","0.0007","12.5947","0.0007","76.143","0.005","73.11","0.006","81.533","0.006","1102.02","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Penta-μ-acetato-bis(μ~2~-2-{[2-(6-chloropyridin-2-yl)hydrazinylidene]\ methyl}-6-methoxyphenolato)-μ-formato-tetramanganese(II)","","- C37.17 H38.34 Cl2 Mn4 N6 O16 -","- C37.168 H38.336 Cl2 Mn4 N6 O16 -","- C37.168 H38.336 Cl2 Mn4 N6 O16 -","1","0.5","JX3055","Chen, Yating; Zhang, Shaonan; Xiao, Yu; Zhang, Shuhua","Synthesis, crystal structures and magnetic and electrochemiluminescence properties of three manganese(II) complexes","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001850","","x-ray","0.71073","MoKα","","0.1016","0.0536","","","0.1078","0.1356","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","248148","2020-10-21","18:00:00",""
"2021986","14.6015","0.0004","19.1875","0.0007","8.2747","0.0003","90","","98.376","0.003","90","","2293.56","0.13","289","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Hexa-μ~2~-acetato-bis(μ~2~-2-{[2-(6-bromopyridin-2-yl)hydrazinylidene]\ methyl}-6-methoxyphenolato)tetramanganese(II)","","- C38 H40 Br2 Mn4 N6 O16 -","- C38 H40 Br2 Mn4 N6 O16 -","- C76 H80 Br4 Mn8 N12 O32 -","2","0.5","JX3055","Chen, Yating; Zhang, Shaonan; Xiao, Yu; Zhang, Shuhua","Synthesis, crystal structures and magnetic and electrochemiluminescence properties of three manganese(II) complexes","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001850","","x-ray","0.71073","MoKα","","0.0575","0.0439","","","0.1119","0.1228","","","","","","1.009","","","","has coordinates","248148","2020-10-21","18:00:00",""
"2021987","8.5288","0.0014","31.321","0.003","9.2665","0.0013","90","","110.631","0.017","90","","2316.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[μ~2~-acetato-acetatoaqua(μ~2~-2-{[2-(6-chloropyridin-\ 2-yl)hydrazinylidene]methyl}-6-methoxyphenolato)dimanganese(II)]-μ~2~-acetato]","","- C19 H22 Cl Mn2 N3 O9 -","- C19 H22 Cl Mn2 N3 O9 -","- C76 H88 Cl4 Mn8 N12 O36 -","4","1","JX3055","Chen, Yating; Zhang, Shaonan; Xiao, Yu; Zhang, Shuhua","Synthesis, crystal structures and magnetic and electrochemiluminescence properties of three manganese(II) complexes","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001850","","x-ray","0.71073","MoKα","","0.1731","0.0917","","","0.2128","0.2859","","","","","","1.016","","","","has coordinates","248148","2020-10-21","18:00:00",""
"2021988","12.3564","0.0018","6.5165","0.0007","9.9337","0.0011","90","","90","","90","","799.87","0.17","200","","200","","","","","","","","","4","P b a m","-P 2 2ab","55","","Magnesium carbonate hexahysrate","","- C2 H24 Mg2 O18 -","- C2 H24 Mg2 O18 -","- C4 H48 Mg4 O36 -","2","0.25","LG3251","Rincke, Christine; Schmidt, Horst; Voigt, Wolfgang","A new hydrate of magnesium carbonate, MgCO~3~·6H~2~O","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001540","","","0.71073","MoKα","","0.0356","0.0287","","","0.0796","0.0854","","","","","","1.178","","","","has coordinates,has Fobs","280578","2023-01-25","08:34:37",""
"2021989","11.417","0.0006","12.6782","0.0006","13.2102","0.0007","90","","90","","90","","1912.14","0.17","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H29 N O12 -","- C15 H29 N O12 -","- C60 H116 N4 O48 -","4","1","OP3003","Zhang, Wenhui; Meredith, Reagan J.; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.","Glycosidic linkage, <i>N</i>-acetyl side-chain, and other structural properties of methyl 2-acetamido-2-deoxy-β-<small>D</small>-glucopyranosyl-(1\ρightarrow 4)-β-<small>D</small>-mannopyranoside monohydrate and related compounds","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001515","","","1.54178","CuKα","","0.0453","0.0436","","","0.1147","0.1174","","","","","","1.05","","","","has coordinates,has Fobs","248364","2020-10-21","18:00:00",""
"2021990","9.1944","0.0001","8.3134","0.0001","9.3798","0.0002","90","","98.924","0.001","90","","708.282","0.019","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Potassium manganese pyrophosphate hydrate","Dipotassium trimanganese dipyrophosphate dihydrate","","- H4 K2 Mn3 O16 P4 -","- H4 K2 Mn3 O16 P4 -","- H8 K4 Mn6 O32 P8 -","2","0.5","FN3331","Kiriukhina, Galina V.; Yakubovich, Olga V.; Shvanskaya, Larisa V.; Kochetkova, Ekaterina M.; Dimitrova, Olga V.; Volkov, Anatoliy S.; Simonov, Sergey V.","Novel K/Mn phosphate hydrates, K~2~Mn~3~(H~2~O)~2~[P~2~O~7~]~2~ and KMn(H~2~O)~2~[Al~2~(PO~4~)~3~]: hydrothermal synthesis and crystal chemistry","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620002466","","","0.71073","MoKα","","0.0271","0.0233","","","0.0497","0.0511","","","","","","1.075","","","","has coordinates,has Fobs","248485","2020-10-21","18:00:00",""
"2021991","13.3117","0.0003","10.0949","0.0002","8.7261","0.0002","90","","108.057","0.002","90","","1114.86","0.04","152","5","152","5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Potassium manganese aluminium phosphate hydrate","Potassium manganese dialuminium triphosphate dihydrate","","- Al2 H4 K Mn O14 P3 -","- Al2 H4 K Mn O14 P3 -","- Al8 H16 K4 Mn4 O56 P12 -","4","0.5","FN3331","Kiriukhina, Galina V.; Yakubovich, Olga V.; Shvanskaya, Larisa V.; Kochetkova, Ekaterina M.; Dimitrova, Olga V.; Volkov, Anatoliy S.; Simonov, Sergey V.","Novel K/Mn phosphate hydrates, K~2~Mn~3~(H~2~O)~2~[P~2~O~7~]~2~ and KMn(H~2~O)~2~[Al~2~(PO~4~)~3~]: hydrothermal synthesis and crystal chemistry","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620002466","","","0.71073","MoKα","","0.0161","0.0156","","","0.047","0.0472","","","","","","1.137","","","","has coordinates,has Fobs","248485","2020-10-21","18:00:00",""
"2021992","8.7163","0.0003","11.1146","0.0004","14.0703","0.0005","105.54","0.002","94.63","0.002","108.581","0.002","1224.06","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H19 Cl3 Co N4 O1.5 -","- C4 H19 Cl3 Co N4 O1.5 -","- C16 H76 Cl12 Co4 N16 O6 -","4","2","DG3005","Bernal, Ivan; Lalancette, Roger A.","Serendipity: Werner's argument that the `two-only forms' (green and violet) of [CoCl~2~(en)~2~]^+^ salts demanded his octahedral model was correct. True?","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620002272","","","1.54178","CuKα","","0.0432","0.0381","","","0.0934","0.0972","","","","","","1.047","","","","has coordinates,has Fobs","279947","2022-12-20","10:58:40",""
"2021993","8.4959","0.0002","9.6479","0.0002","8.7619","0.0002","90","","116.921","0.001","90","","640.36","0.03","299.16","","299.16","","","","","","","","","4","P 1 21 1","P 2yb","4","NA8","(<i>S</i>)-10-(Prop-2-yn-1-yl)pyrrolo[2,1-<i>c</i>][1,4]benzodiazepine-5,11-dione","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C30 H28 N4 O4 -","2","1","LH5947","Jeroundi, Dounia; Mazzah, Ahmed; Hökelek, Tuncer; El Hadrami, El Mestafa; Renard, Catherine; Haoudi, Amal; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of (S)-10-propargylpyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione","Acta Crystallographica Section E Crystallographic Communications","2020","76","4","467","","10.1107/S2056989020002698","","","0.71073","MoKα","","0.0463","0.0389","","","0.0983","0.1032","","","","","","1.061","","","","has coordinates,has Fobs","248727","2020-10-21","18:00:00",""
"2021994","8.1958","0.0005","8.4184","0.0005","10.5965","0.0006","97.006","0.005","104.543","0.005","91.138","0.005","701.43","0.07","293","2","293","","","","","","","","","4","P -1","-P 1","2","","2-{[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]methyl}-1<i>H</i>-benzimidazol-3-ium chloride","","- C11 H9 Cl3 N6 -","- C11 H9 Cl3 N6 -","- C22 H18 Cl6 N12 -","2","1","SK3746","Patricio-Rangel, Emmanuel Blas; Tlahuextl, Margarita; Tlahuext, Hugo; Tapia-Benavides, Antonio Rafael","Synthesis and crystallographic studies of two new 1,3,5-triazines","Acta Crystallographica Section C","2020","76","4","","","10.1107/S2053229620002508","","","0.71073","MoKα","","0.0504","0.0346","","","0.0769","0.0872","","","","","","1.06","","","","has coordinates,has Fobs","249179","2020-10-21","18:00:00",""
"2021995","12.8675","0.0004","14.1487","0.0005","16.5184","0.0006","75.57","0.003","78.737","0.003","64.33","0.003","2611.81","0.17","293","","293","","","","","","","","","5","P -1","-P 1","2","","Bis(2,2'-{[(6-chloro-1,3,5-triazine-2,4-diyl)bis(azanediyl)]bis(methylene)}bis(1<i>H</i>-benzimidazol-3-ium)) tetrachloride heptahydrate","","- C38 H45.75 Cl6.04 N18 O7.93 -","- C38 H45.752 Cl6.038 N18 O7.938 -","- C76 H91.504 Cl12.076 N36 O15.876 -","2","1","SK3746","Patricio-Rangel, Emmanuel Blas; Tlahuextl, Margarita; Tlahuext, Hugo; Tapia-Benavides, Antonio Rafael","Synthesis and crystallographic studies of two new 1,3,5-triazines","Acta Crystallographica Section C","2020","76","4","","","10.1107/S2053229620002508","","","0.71073","MoKα","","0.0888","0.0574","","","0.1506","0.1787","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","249179","2020-10-21","18:00:00",""
"2021996","6.4917","0.0003","17.5357","0.0007","22.2418","0.0008","90","","90","","90","","2531.93","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-fluorenyl-methylen-xycarbonyl-O-tert-butyl-N-methyl-tyrosine; Fmoc-N-Me-Tyr(t-Bu)-OH","2-{[(9<i>H</i>-Fluoren-9-ylmethoxy)carbonyl](methyl)amino}-3-{4-[(2-hydroxypropan-2-yl)oxy]phenyl}propanoic acid","","- C29 H31 N O5 -","- C29 H31 N O5 -","- C116 H124 N4 O20 -","4","1","QP3039","Bojarska, Joanna; Remko, Milan; Madura, Izabela D.; Kaczmarek, Krzysztof; Zabrocki, Janusz; Wolf, Wojciech M.","Synthesis, experimental and <i>in silico</i> studies of <i>N</i>-fluorenylmethoxycarbonyl-<i>O</i>-<i>tert</i>-butyl-<i>N</i>-methyltyrosine, coupled with CSD data: a survey of interactions in the crystal structures of Fmoc‒amino acids","Acta Crystallographica Section C","2020","76","4","","","10.1107/S2053229620003009","","","0.71073","MoKα","","0.0338","0.0318","","","0.0886","0.0912","","","","","","0.985","","","","has coordinates,has Fobs","249270","2020-10-21","18:00:00",""
"2021997","7.0301","0.0003","17.1705","0.0008","18.8369","0.0009","90","","90","","90","","2273.81","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3'-Fluoro-3'-deoxy-5-methyluridine","","- C10 H13 F N2 O5 -","- C10 H13 F N2 O5 -","- C80 H104 F8 N16 O40 -","8","2","WP3002","Aher, Manisha N.; Erande, Namrata D.; Kumar, Vaijayanti A.; Fernandes, Moneesha; Gonnade, Rajesh G.","Influence of fluorine substitution on the molecular conformation of 3'-deoxy-3'-fluoro-5-methyluridine","Acta Crystallographica Section C","2020","76","4","","","10.1107/S2053229620003083","","","0.71073","MoKα","","0.0306","0.0287","","","0.0661","0.0672","","","","","","1.102","","","","has coordinates","249351","2020-10-21","18:00:00",""
"2021998","14.808","0.0002","15.697","0.0002","14.977","0.0002","90","","114.482","0.001","90","","3168.28","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methyl-1-(2-methoxyphenyl)-6-phenylpyrimidine-2(1<i>H</i>)-selenone","","- C18 H16 N2 O Se -","- C18 H16 N2 O Se -","- C144 H128 N16 O8 Se8 -","8","2","QS3091","Żesławska, Ewa; Korona-Głowniak, Izabela; Nitek, Wojciech; Tejchman, Waldemar","Effect of the position of a methoxy substituent on the antimicrobial activity and crystal structures of 4-methyl-1,6-diphenylpyrimidine-2(1<i>H</i>)-selenone derivatives","Acta Crystallographica Section C","2020","76","4","359","366","10.1107/S2053229620004040","","","0.71073","MoKα","","0.0346","0.0255","","","0.0599","0.064","","","","","","1.022","","","","has coordinates,has Fobs","249908","2020-10-21","18:00:00",""
"2021999","9.467","0.0006","10.307","0.0007","16.615","0.0009","90","","106.887","0.004","90","","1551.32","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methyl-1-(3-methoxyphenyl)-6-phenylpyrimidine-2(1<i>H</i>)-selenone","","- C18 H16 N2 O Se -","- C18 H16 N2 O Se -","- C72 H64 N8 O4 Se4 -","4","1","QS3091","Żesławska, Ewa; Korona-Głowniak, Izabela; Nitek, Wojciech; Tejchman, Waldemar","Effect of the position of a methoxy substituent on the antimicrobial activity and crystal structures of 4-methyl-1,6-diphenylpyrimidine-2(1<i>H</i>)-selenone derivatives","Acta Crystallographica Section C","2020","76","4","359","366","10.1107/S2053229620004040","","","0.71073","MoKα","","0.0738","0.0498","","","0.0927","0.0998","","","","15.23","15.23","1.105","","","","has coordinates,has Fobs","249908","2020-10-21","18:00:00",""
"2022000","12.733","0.0003","8.95","0.0002","14.1399","0.0005","90","","101.862","0.002","90","","1576.98","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methyl-1-(4-methoxyphenyl)-6-phenylpyrimidine-2(1<i>H</i>)-selenone","","- C18 H16 N2 O Se -","- C18 H16 N2 O Se -","- C72 H64 N8 O4 Se4 -","4","1","QS3091","Żesławska, Ewa; Korona-Głowniak, Izabela; Nitek, Wojciech; Tejchman, Waldemar","Effect of the position of a methoxy substituent on the antimicrobial activity and crystal structures of 4-methyl-1,6-diphenylpyrimidine-2(1<i>H</i>)-selenone derivatives","Acta Crystallographica Section C","2020","76","4","359","366","10.1107/S2053229620004040","","","0.71073","MoKα","","0.0445","0.0392","","","0.1016","0.1065","","","","12.971","12.971","1.033","","","","has coordinates","249908","2020-10-21","18:00:00",""
"2022001","17.4164","0.001","26.2567","0.0015","20.0775","0.0012","90","","114.401","0.001","90","","8361.3","0.8","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[[1,4-bis(pyridin-4-yl)benzene](μ~3~-3,3'-{[1,3-phenylenebis(methylene)]bis(oxy)}dibenzoato)zinc(II)] 1,4-bis(pyridin-4-yl)benzene]","","- C54 H40 N4 O6 Zn -","- C54 H40 N4 O6 Zn -","- C432 H320 N32 O48 Zn8 -","8","1","QS3090","Xue, Yun-Shan; Cheng, Wei-Wei; Chen, Zhuo-Lin; Kong, Weili; Zhang, Jun","A novel three-dimensional zinc(II) coordination polymer based on 3,3'-{[1,3-phenylenebis(methylene)]bis(oxy)}dibenzoic acid and 1,4-bis(pyridin-4-yl)benzene: synthesis, crystal structure and photocatalytic properties","Acta Crystallographica Section C","2020","76","4","353","358","10.1107/S2053229620004052","","x-ray","0.71073","MoKα","","0.032","0.0284","","","0.0723","0.0743","","","","","","1.033","","","","has coordinates,has Fobs","249909","2020-10-21","18:00:00",""
"2022002","10.7997","0.0003","11.2319","0.0002","12.0225","0.0003","90","","95.184","0.002","90","","1452.38","0.06","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[tetraaquanickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] bis(6-chloronicotinate) tetrahydrate]","","- C22 H30 Cl2 N4 Ni O12 -","- C22 H30 Cl2 N4 Ni O12 -","- C44 H60 Cl4 N8 Ni2 O24 -","2","0.5","HB7900","Politeo, Nives; Pisačić, Mateja; Đaković, Marijana; Sokol, Vesna; Kukovec, Boris-Marko","Synthesis and crystal structure of a 6-chloronicotinate salt of a one-dimensional cationic nickel(II) coordination polymer with 4,4′-bipyridine","Acta Crystallographica Section E Crystallographic Communications","2020","76","5","599","","10.1107/S2056989020004193","","","0.71073","MoKα","","0.0376","0.0285","","","0.0695","0.0738","","","","","","1.069","","","","has coordinates,has Fobs","250124","2020-10-21","18:00:00",""
"2022003","11.8658","0.0007","5.4786","0.0003","16.7291","0.0009","90","","97.296","0.002","90","","1078.72","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tinidazole","1-(2-Ethylsulfonylethyl)-2-methyl-5-nitroimidazole","","- C8 H13 N3 O4 S -","- C8 H13 N3 O4 S -","- C32 H52 N12 O16 S4 -","4","1","DG3004","Zheng, Kang; Xie, Changjian; Li, Xiaowei; Wu, Weiwei; Li, Ao; Qian, Shaosong; Pang, Qiuxiang","Crystal structures, thermal stabilities, and dissolution behaviours of tinidazole and the tinidazole‒vanillic acid cocrystal: insights from energy frameworks","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004180","","","0.71073","MoKα","","0.0371","0.0318","","","0.0787","0.0816","","","","","","1.045","","","","has coordinates,has Fobs","250534","2020-10-21","18:00:00",""
"2022004","11.1206","0.0005","12.6519","0.0006","13.6042","0.0006","98.078","0.001","97.793","0.001","99.78","0.001","1842.42","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Tinidazole‒vanillic acid (1/1)","1-(2-Ethylsulfonylethyl)-2-methyl-5-nitroimidazole; 4-hydroxy-3-methoxybenzoic acid","","- C16 H21 N3 O8 S -","- C16 H21 N3 O8 S -","- C64 H84 N12 O32 S4 -","4","2","DG3004","Zheng, Kang; Xie, Changjian; Li, Xiaowei; Wu, Weiwei; Li, Ao; Qian, Shaosong; Pang, Qiuxiang","Crystal structures, thermal stabilities, and dissolution behaviours of tinidazole and the tinidazole‒vanillic acid cocrystal: insights from energy frameworks","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004180","","","0.71073","MoKα","","0.0495","0.039","","","0.0993","0.1055","","","","","","1.031","","","","has coordinates,has Fobs","250534","2020-10-21","18:00:00",""
"2022005","11.8772","0.0003","17.2089","0.0004","8.4838","0.0002","90","","109.022","0.0006","90","","1639.35","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2',6'-Difluoro-6-[3-(pyridin-2-yloxy)phenyl]-2,3'-bipyridine","","- C21 H13 F2 N3 O -","- C21 H13 F2 N3 O -","- C84 H52 F8 N12 O4 -","4","1","LF3112","Park, Ki-Min; Yang, Kiyull; Moon, Suk-Hee; Kang, Youngjin","Structures and photophysical properties of two luminescent bipyridine compounds: 2',6'-difluoro-6-[3-(pyridin-2-yloxy)phenyl]-2,3'-bipyridine and 2',6'-dimethoxy-6-[3-(pyridin-2-yloxy)phenyl]-2,3'-bipyridine","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004301","","","0.71073","MoKα","","0.0507","0.0417","","","0.1052","0.1125","","","","","","1.027","","","","has coordinates,has Fobs","250535","2020-10-21","18:00:00",""
"2022006","21.0396","0.0003","7.941","0.0001","22.5109","0.0003","90","","100.899","0.0007","90","","3693.18","0.09","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2',6'-Dimethoxy-6-[3-(pyridin-2-yloxy)phenyl]-2,3'-bipyridine","","- C23 H19 N3 O3 -","- C23 H19 N3 O3 -","- C184 H152 N24 O24 -","8","1","LF3112","Park, Ki-Min; Yang, Kiyull; Moon, Suk-Hee; Kang, Youngjin","Structures and photophysical properties of two luminescent bipyridine compounds: 2',6'-difluoro-6-[3-(pyridin-2-yloxy)phenyl]-2,3'-bipyridine and 2',6'-dimethoxy-6-[3-(pyridin-2-yloxy)phenyl]-2,3'-bipyridine","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004301","","","0.71073","MoKα","","0.0535","0.0431","","","0.1068","0.1143","","","","","","1.034","","","","has coordinates,has Fobs","250535","2020-10-21","18:00:00",""
"2022007","6.092","0.0003","3.4919","0.0002","11.8481","0.0005","90","","103.898","0.002","90","","244.66","0.02","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H3 O3 -","- C H3 O3 -","- C4 H12 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0132","0.0132","","","0.039","0.039","","","","","","1.1687","","","","has coordinates","250586","2020-10-21","18:00:00",""
"2022008","9.3255","0.001","5.4503","0.001","9.04","0.001","90","","101.474","0.001","90","","450.29","0.11","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H2 N4 O3 -","- C2 H2 N4 O3 -","- C8 H8 N16 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.56085","AgKα","","0.0151","0.0147","","","0.0395","0.0397","","","","","","1.0597","","","","has coordinates","250587","2020-10-21","18:00:00",""
"2022009","11.1055","0.0001","11.6712","0.0001","18.0627","0.0001","90","","102.675","0.0003","90","","2284.13","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 N O -","- C33 H23 N O -","- C132 H92 N4 O4 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0121","0.0115","","","0.0286","0.0288","","","","","","1.1353","","","","has coordinates","250588","2020-10-21","18:00:00",""
"2022010","9.659","0.001","9.672","0.001","10.739","0.001","90","","90","","90","","1003.26","0.17","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 N2 O7 -","- C6 H14 N2 O7 -","- C24 H56 N8 O28 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKα","","0.0133","0.0133","","","0.0331","0.0331","","","","","","1.0274","","","","has coordinates","250589","2020-10-21","18:00:00",""
"2022011","9.902","0.003","9.248","0.003","10.166","0.002","90","","90","","90","","930.9","0.5","9","2","9","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5166","synchrotron","","0.0558","0.03","","","0.0449","0.0613","","","","","","0.9388","","","","has coordinates","250590","2020-10-21","18:00:00",""
"2022012","11.624","0.002","16.748","0.003","24.018","0.005","90","","90","","90","","4675.8","1.5","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H77.768 N2 O15.884 -","- C41 H77.768 N2 O15.884 -","- C164 H311.072 N8 O63.536 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.56","synchrotron","","0.023","0.023","","","0.0592","0.0592","","","","","","1.0854","","","","has coordinates","250591","2020-10-21","18:00:00",""
"2022013","5.2951","0.0003","8.1213","0.0004","27.256","0.002","90","","90","","90","","1172.09","0.12","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.54","Synchrotron","","0.0204","0.0201","","","0.0484","0.0485","","","","","","1.0996","","","","has coordinates","250592","2020-10-21","18:00:00",""
"2022014","11.379","0.0002","10.5694","0.0002","13.1314","0.0002","90","","90","","90","","1579.3","0.05","120","0.2","120","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0219","0.0219","","","0.0552","0.0552","","","","","","1.038","","","","has coordinates","250593","2020-10-21","18:00:00",""
"2022015","10.7764","0.001","9.1947","0.0009","4.7788","0.0005","90","","106.87","0.02","90","","453.13","0.09","20","","20","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0159","0.0148","","","0.0359","0.0362","","","","","","0.9499","","","","has coordinates","250594","2020-10-21","18:00:00",""
"2022016","7.2934","0.0002","7.8145","0.0002","10.2181","0.0003","87.055","0.001","70.569","0.001","72.898","0.001","524.22","0.03","110","0.1","110","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 N2 O2 S -","- C9 H14 N2 O2 S -","- C18 H28 N4 O4 S2 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0256","0.0256","","","0.019","0.019","","","","","","1.0767","","","","has coordinates","250595","2020-10-21","18:00:00",""
"2022017","11.827","0.002","7.875","0.002","23.504","0.005","90","","90","","90","","2189.1","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.6","synchrotron","","0.0322","0.0269","","","0.0652","0.0674","","","","","","1.108","","","","has coordinates","250596","2020-10-21","18:00:00",""
"2022018","5.789","0.0008","5.9387","0.0007","12.2516","0.0014","90","","90","","90","","421.2","0.09","23","1","23","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0102","0.0101","","","0.0238","0.0239","","","","","","1.2342","","","","has coordinates","250597","2020-10-21","18:00:00",""
"2022019","6.0954","0.0002","3.4948","0.0001","11.8499","0.0003","90","","103.939","0.0009","90","","244.996","0.012","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H3 O3 -","- C H3 O3 -","- C4 H12 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0176","0.0176","","","0.0467","0.0467","","","","","","1.2389","","","","has coordinates","250598","2020-10-21","18:00:00",""
"2022020","13.089","0.002","5.329","0.001","15.921","0.006","90","","108.57","0.02","90","","1052.7","0.5","100","5","100","5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 N2 O3 S -","- C8 H16 N2 O3 S -","- C32 H64 N8 O12 S4 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKα","","0.0374","0.0259","","","0.0451","0.0507","","","","","","1.0578","","","","has coordinates","250599","2020-10-21","18:00:00",""
"2022021","9.866","0.007","9.25","0.007","10.149","0.006","90","","90","","90","","926.2","1.1","50","2","50","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5166","synchrotron","","0.0273","0.0247","","","0.051","0.0516","","","","","","1.0882","","","","has coordinates","250600","2020-10-21","18:00:00",""
"2022022","6.095","0.0005","3.4881","0.0003","11.8462","0.0009","90","","103.842","0.003","90","","244.54","0.03","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H3 O3 -","- C H3 O3 -","- C4 H12 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0179","0.0179","","","0.0542","0.0542","","","","","","1.5736","","","","has coordinates","250601","2020-10-21","18:00:00",""
"2022023","7.984","0.002","9.535","0.003","18.352","0.005","90","","90","","90","","1397.1","0.7","23","2","23","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N3 O6 -","- C13 H19 N3 O6 -","- C52 H76 N12 O24 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKα","","0.0356","0.0356","","","0.0425","0.0425","","","","","","0.9844","","","","has coordinates","250602","2020-10-21","18:00:00",""
"2022024","12.925","0.003","8.273","0.002","23.954","0.005","90","","90","","90","","2561.4","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H11 N O3 -","- C16 H11 N O3 -","- C128 H88 N8 O24 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.6","synchrotron","","0.0369","0.031","","","0.082","0.0856","","","","","","1.0595","","","","has coordinates","250603","2020-10-21","18:00:00",""
"2022025","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5996","synchrotron","","0.0276","0.0171","","","0.0445","0.0446","","","","","","0.6809","","","","has coordinates","250604","2020-10-21","18:00:00",""
"2022026","7.2359","0.0005","7.3713","0.0005","9.4768","0.0007","90","","98.403","0.01","90","","500.05","0.06","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H5 N3 O S -","- C2 H5 N3 O S -","- C8 H20 N12 O4 S4 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0215","0.0186","","","0.0467","0.0477","","","","","","1.0492","","","","has coordinates","250605","2020-10-21","18:00:00",""
"2022027","5.4491","0.0003","7.3962","0.0004","8.1337","0.0004","79.382","0.004","73.191","0.005","69.544","0.005","292.75","0.03","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C6 H18 Cl2 N2 O4 -","- C6 H18 Cl2 N2 O4 -","- C6 H18 Cl2 N2 O4 -","1","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKα","","0.0175","0.0172","","","0.0407","0.0408","","","","","","1.0353","","","","has coordinates","250606","2020-10-21","18:00:00",""
"2022028","9.853","0.004","9.251","0.005","10.145","0.002","90","","90","","90","","924.7","0.7","30","2","30","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5166","synchrotron","","0.03","0.0263","","","0.0546","0.0555","","","","","","1.0868","","","","has coordinates","250607","2020-10-21","18:00:00",""
"2022029","9.884","0.006","9.253","0.006","10.155","0.003","90","","90","","90","","928.7","0.9","75","2","75","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5166","synchrotron","","0.0307","0.0267","","","0.0679","0.0691","","","","","","1.0666","","","","has coordinates","250608","2020-10-21","18:00:00",""
"2022030","7.4541","0.0015","9.4918","0.0019","9.7287","0.0019","90","","90","","90","","688.3","0.2","50","2","50","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5259","synchrotron","","0.0137","0.0132","","","0.0321","0.0322","","","","","","1.0669","","","","has coordinates","250609","2020-10-21","18:00:00",""
"2022031","7.431","0.006","13.769","0.009","14.944","0.013","90","","90","","90","","1529","2","25","","25","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKa","","0.0178","0.0147","","","0.0318","0.0324","","","","","","0.7185","","","","has coordinates","250610","2020-10-21","18:00:00",""
"2022032","6.0988","0.0002","3.4954","0.0001","11.8455","0.0004","90","","103.927","0.002","90","","245.096","0.014","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H3 O3 -","- C H3 O3 -","- C4 H12 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0203","0.0203","","","0.0523","0.0523","","","","","","1.2128","","","","has coordinates","250611","2020-10-21","18:00:00",""
"2022033","6.0939","0.0003","3.4965","0.0002","11.8441","0.0005","90","","103.951","0.002","90","","244.92","0.02","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H3 O3 -","- C H3 O3 -","- C4 H12 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0172","0.0172","","","0.0446","0.0446","","","","","","1.1938","","","","has coordinates","250612","2020-10-21","18:00:00",""
"2022034","6.6558","0.0001","7.8903","0.0001","8.6069","0.0001","90","","90","","90","","452.002","0.01","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKa","","0.0234","0.0177","","","0.0404","0.0482","","","","","","1.0182","","","","has coordinates","250613","2020-10-21","18:00:00",""
"2022035","7.7161","0.0008","9.8337","0.001","7.5131","0.0008","90","","100.523","0.005","90","","560.49","0.1","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N3 O2 -","- C4 H7 N3 O2 -","- C16 H28 N12 O8 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKa","","0.0284","0.0227","","","0.0553","0.0591","","","","","","1.209","","","","has coordinates","250614","2020-10-21","18:00:00",""
"2022036","10.128","0.001","12.486","0.001","19.507","0.001","90","","90","","90","","2466.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 N6 O7 -","- C22 H36 N6 O7 -","- C88 H144 N24 O28 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5583","Synchrotron","","0.0173","0.0172","","","0.0392","0.0393","","","","","","1.1634","","","","has coordinates","250615","2020-10-21","18:00:00",""
"2022037","7.4587","0.0007","9.4928","0.0009","9.725","0.0009","90","","90","","90","","688.57","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5259","synchrotron","","0.0154","0.0152","","","0.0345","0.0346","","","","","","1.1898","","","","has coordinates","250616","2020-10-21","18:00:00",""
"2022038","8.5755","0.0003","10.1627","0.0003","14.2676","0.0002","90","","95.249","0.002","90","","1238.21","0.06","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0394","0.023","","","0.0432","0.0577","","","","","","1.0322","","","","has coordinates","250617","2020-10-21","18:00:00",""
"2022039","11.4425","0.0003","10.6106","0.0003","13.1558","0.0004","90","","90","","90","","1597.27","0.08","20","0.1","20","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0275","0.0275","","","0.0677","0.0677","","","","","","1.0758","","","","has coordinates","250618","2020-10-21","18:00:00",""
"2022040","6.825","0.0014","9.042","0.0018","21.728","0.004","90","","90","","90","","1340.9","0.5","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H21 N3 O5 -","- C11 H21 N3 O5 -","- C44 H84 N12 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.56","Synchrotron","","0.0333","0.0261","","","0.0451","0.0462","","","","","","1.2975","","","","has coordinates","250619","2020-10-21","18:00:00",""
"2022041","6.0937","0.0004","3.4929","0.0002","11.8533","0.0007","90","","103.948","0.002","90","","244.85","0.03","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H3 O3 -","- C H3 O3 -","- C4 H12 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0143","0.0143","","","0.0406","0.0406","","","","","","1.241","","","","has coordinates","250620","2020-10-21","18:00:00",""
"2022042","9.1735","0.0001","11.4736","0.0002","5.4171","0.0001","90","","90","","90","","570.166","0.016","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKα","","0.0156","0.0152","","","0.0356","0.0359","","","","","","1.1821","","","","has coordinates","250621","2020-10-21","18:00:00",""
"2022043","9.854","0.0002","9.249","0.0002","10.144","0.0002","90","","90","","90","","924.52","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5166","synchrotron","","0.0271","0.0246","","","0.0489","0.0495","","","","","","1.0988","","","","has coordinates","250622","2020-10-21","18:00:00",""
"2022044","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0101","0.01","","","0.0247","0.0247","","","","","","1.0759","","","","has coordinates","250623","2020-10-21","18:00:00",""
"2022045","7.235","0.002","13.056","0.004","14.415","0.004","90","","90","","90","","1361.6","0.7","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.028","0.0272","","","0.0416","0.042","","","","","","0.6573","","","","has coordinates","250624","2020-10-21","18:00:00",""
"2022046","9.598","0.002","8.939","0.001","12.17","0.001","90","","108.75","0.01","90","","988.7","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H28 N4 O5 -","- C18 H28 N4 O5 -","- C36 H56 N8 O10 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.56","Synchrotron","","0.0115","0.0114","","","0.0303","0.0303","","","","","","1.234","","","","has coordinates","250625","2020-10-21","18:00:00",""
"2022047","8.3222","0.0002","9.5441","0.0002","27.0123","0.0006","90","","90","","90","","2145.53","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H18 N2 O4 S -","- C8 H18 N2 O4 S -","- C64 H144 N16 O32 S8 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0149","0.0149","","","0.0367","0.0367","","","","","","1.0616","","","","has coordinates","250626","2020-10-21","18:00:00",""
"2022048","11.0104","0.0003","10.0398","0.0002","18.604","0.0004","90","","97.32","0.002","90","","2039.77","0.08","10","","10","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C80 H80 N32 O16 -","8","2","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0336","0.0335","","","0.0657","0.0658","","","","","","1.04","","","","has coordinates","279947","2022-12-20","10:58:43",""
"2022049","6.0889","0.0002","3.487","0.0001","11.8299","0.0003","90","","103.93","0.001","90","","243.786","0.012","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H3 O3 -","- C H3 O3 -","- C4 H12 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0116","0.0116","","","0.0368","0.0368","","","","","","1.3975","","","","has coordinates","250628","2020-10-21","18:00:00",""
"2022050","5.7913","0.0003","8.2458","0.0006","8.9223","0.001","116.823","0.008","104.589","0.009","91.602","0.005","362.99","0.06","90","0.1","90","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C16 H16 N4 O4 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0287","0.0249","","","0.0569","0.0579","","","","","","1.3413","","","","has coordinates","250629","2020-10-21","18:00:00",""
"2022051","7.4871","0.0016","9.4966","0.0019","9.7078","0.0019","90","","90","","90","","690.2","0.2","12","2","12","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5259","synchrotron","","0.0138","0.0135","","","0.0299","0.03","","","","","","1.1373","","","","has coordinates","250630","2020-10-21","18:00:00",""
"2022052","8.789","0.001","12.474","0.001","13.279","0.001","90","","106.578","0.001","90","","1395.3","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N12 O12 -","- C6 H6 N12 O12 -","- C24 H24 N48 O48 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.503","synchrotron","","0.0206","0.0203","","","0.0506","0.0509","","","","","","1.0718","","","","has coordinates","250631","2020-10-21","18:00:00",""
"2022053","12.402","0.003","6.47","0.002","6.321","0.002","90","","93.69","0.02","90","","506.2","0.3","100","","100","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C6 H8 O2 -","- C6 H8 O2 -","- C24 H32 O8 -","4","0.5","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.21784","synchrotron","","0.025","0.025","","","0.0649","0.0649","","","","","","1.2633","","","","has coordinates","250632","2020-10-21","18:00:00",""
"2022054","6.0931","0.0004","3.4921","0.0002","11.8409","0.0007","90","","103.842","0.002","90","","244.63","0.03","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H3 O3 -","- C H3 O3 -","- C4 H12 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0179","0.0179","","","0.0553","0.0553","","","","","","1.5601","","","","has coordinates","250633","2020-10-21","18:00:00",""
"2022055","6.0903","0.0002","3.4959","0.0001","11.8348","0.0003","90","","103.917","0.001","90","","244.579","0.012","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H3 O3 -","- C H3 O3 -","- C4 H12 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0205","0.0205","","","0.0515","0.0515","","","","","","1.1995","","","","has coordinates","250634","2020-10-21","18:00:00",""
"2022056","7.875","0.002","9.892","0.002","18.843","0.004","90","","90","","90","","1467.9","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C76 H56 N8 O8 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.6","synchrotron","","0.0156","0.0155","","","0.0385","0.0385","","","","","","1.1819","","","","has coordinates","250635","2020-10-21","18:00:00",""
"2022057","8.977","0.007","9.186","0.007","10.003","0.007","90","","90","","90","","824.9","1.1","85","2","85","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H6 N O3 P -","- C H6 N O3 P -","- C8 H48 N8 O24 P8 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0283","0.0192","","","0.0435","0.0465","","","","","","1.1385","","","","has coordinates","250636","2020-10-21","18:00:00",""
"2022058","5.8389","0.0002","19.3579","0.0005","8.0338","0.0003","90","","97.203","0.002","90","","900.88","0.05","105","0.1","105","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H11 N4 O4 P -","- C5 H11 N4 O4 P -","- C20 H44 N16 O16 P4 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0759","0.0353","","","0.0608","0.0728","","","","","","0.9736","","","","has coordinates","250637","2020-10-21","18:00:00",""
"2022059","7.4583","0.0016","9.4892","0.0019","9.7301","0.0019","90","","90","","90","","688.6","0.2","12","2","12","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5259","synchrotron","","0.0129","0.0129","","","0.0277","0.0277","","","","","","1.1768","","","","has coordinates","250638","2020-10-21","18:00:00",""
"2022060","6.0988","0.0001","3.497","0.0002","11.8494","0.0002","90","","103.922","0.002","90","","245.294","0.015","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H3 O3 -","- C H3 O3 -","- C4 H12 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0139","0.0139","","","0.037","0.037","","","","","","1.1503","","","","has coordinates","250639","2020-10-21","18:00:00",""
"2022061","4.0515","0.0002","10.1749","0.0007","17.6519","0.0009","90","","90","","90","","727.67","0.07","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H6 O S -","- C9 H6 O S -","- C36 H24 O4 S4 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0283","0.0265","","","0.0636","0.0642","","","","","","0.9945","","","","has coordinates","250640","2020-10-21","18:00:00",""
"2022062","8.121","0.004","9.299","0.006","12.532","0.005","90","","91.21","0.02","90","","946.2","0.9","9","2","9","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H26.269 N3 O7.634 -","- C15 H26.2688 N3 O7.63441 -","- C30 H52.5376 N6 O15.2688 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5","synchrotron","","0.0106","0.0106","","","0.0241","0.0241","","","","","","1.2979","","","","has coordinates","250641","2020-10-21","18:00:00",""
"2022063","9.507","0.0001","9.9649","0.0001","11.0233","0.0001","94.182","0.001","100.118","0.001","91.432","0.001","1024.57","0.018","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H30 F N3 O9 -","- C17 H30 F N3 O9 -","- C34 H60 F2 N6 O18 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0293","0.0216","","","0.0595","0.0628","","","","","","1.5195","","","","has coordinates","250642","2020-10-21","18:00:00",""
"2022064","8.741","0.002","9.42","0.002","11.989","0.002","90","","95.49","0.03","90","","982.6","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H29 N5 O6 -","- C15 H29 N5 O6 -","- C30 H58 N10 O12 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.56","Synchrotron","","0.0106","0.0106","","","0.0274","0.0274","","","","","","1.2508","","","","has coordinates","250643","2020-10-21","18:00:00",""
"2022065","8.6224","0.0002","7.0489","0.0002","9.8061","0.0002","90","","106.486","0.002","90","","571.5","0.02","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H16 Cl2 N2 O3 -","- C6 H16 Cl2 N2 O3 -","- C12 H32 Cl4 N4 O6 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKα","","0.0369","0.0248","","","0.0479","0.0556","","","","","","1.0417","","","","has coordinates","250644","2020-10-21","18:00:00",""
"2022066","4.8462","0.0019","13.901","0.006","16.316","0.007","90","","90","","90","","1099.2","0.8","20","","20","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N2 O5 -","- C10 H14 N2 O5 -","- C40 H56 N8 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKα","","0.0213","0.019","","","0.0443","0.0449","","","","","","0.9073","","","","has coordinates","250645","2020-10-21","18:00:00",""
"2022067","11.047","0.001","10.129","0.001","18.652","0.002","90","","97.223","0.003","90","","2070.5","0.4","70","","70","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C80 H80 N32 O16 -","8","2","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0319","0.0319","","","0.067","0.067","","","","","","1.0121","","","","has coordinates","279947","2022-12-20","10:58:44",""
"2022068","6.091","0.0003","3.4928","0.0002","11.8372","0.0006","90","","103.901","0.002","90","","244.46","0.02","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H3 O3 -","- C H3 O3 -","- C4 H12 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0123","0.0123","","","0.037","0.037","","","","","","1.2518","","","","has coordinates","250647","2020-10-21","18:00:00",""
"2022069","10.978","0.001","10.006","0.001","18.488","0.002","90","","97.223","0.004","90","","2014.7","0.3","35","","35","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C80 H80 N32 O16 -","8","2","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0216","0.0195","","","0.0443","0.0455","","","","","","0.9416","","","","has coordinates","279947","2022-12-20","10:58:44",""
"2022070","9.948","0.0002","7.9637","0.0002","4.9826","0.0001","90","","83.13","0.01","90","","391.902","0.017","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H13 Cl N2 O2 -","- C5 H13 Cl N2 O2 -","- C10 H26 Cl2 N4 O4 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKα","","0.0139","0.0139","","","0.0304","0.0304","","","","","","0.9514","","","","has coordinates","250649","2020-10-21","18:00:00",""
"2022071","10.207","0.006","4.78","0.003","11.955","0.007","90","","101.39","0.01","90","","571.8","0.6","20","1","20","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H17 N3 O5 -","- C8 H17 N3 O5 -","- C16 H34 N6 O10 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0136","0.0131","","","0.032","0.0322","","","","","","1.2761","","","","has coordinates","250650","2020-10-21","18:00:00",""
"2022072","4.2427","0.0004","5.9648","0.0005","10.5801","0.001","105.736","0.005","94.912","0.005","91.927","0.004","256.32","0.04","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H4 N2 O S -","- C4 H4 N2 O S -","- C8 H8 N4 O2 S2 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0179","0.0171","","","0.0455","0.0458","","","","","","1.2467","","","","has coordinates","250651","2020-10-21","18:00:00",""
"2022073","6.0867","0.0001","6.0867","0.0001","8.4958","0.0004","90","","90","","90","","314.752","0.017","15","1","15","1","","","","","","","","3","I -4","I -4","82","","","","- C1.25 H3 O -","- C1.25 H3 O -","- C10 H24 O8 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0106","0.0106","","","0.0286","0.0286","","","","","","1.5258","","","","has coordinates","250652","2020-10-21","18:00:00",""
"2022074","12.584","0.003","9.699","0.002","3.674","0.002","90","","90","","90","","448.4","0.3","120","","120","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H3 N3 O -","- C4 H3 N3 O -","- C16 H12 N12 O4 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0301","0.0265","","","0.0622","0.0658","","","","","","1.0485","","","","has coordinates","250653","2020-10-21","18:00:00",""
"2022075","11.0299","0.0002","10.0921","0.0002","18.6365","0.0003","90","","97.238","0.002","90","","2057.99","0.07","100","","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C80 H80 N32 O16 -","8","2","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0343","0.0341","","","0.0621","0.0622","","","","","","1.0398","","","","has coordinates","279947","2022-12-20","10:58:44",""
"2022076","4.8818","0.0002","11.2009","0.0005","11.2335","0.0005","90","","92.621","0.002","90","","613.61","0.05","90","0.2","90","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 O3 -","- C7 H6 O3 -","- C28 H24 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0279","0.0239","","","0.0588","0.0601","","","","","","1.125","","","","has coordinates","250655","2020-10-21","18:00:00",""
"2022077","6.0893","0.0002","3.4965","0.0001","11.8311","0.0004","90","","103.883","0.002","90","","244.54","0.014","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H3 O3 -","- C H3 O3 -","- C4 H12 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0237","0.0237","","","0.0545","0.0545","","","","","","1.0558","","","","has coordinates","250656","2020-10-21","18:00:00",""
"2022078","9.572","0.003","10.039","0.003","10.548","0.003","90","","90","","90","","1013.6","0.5","110","5","110","5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H16 N2 O6 -","- C6 H16 N2 O6 -","- C24 H64 N8 O24 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71068","MoKα","","0.0136","0.0128","","","0.0289","0.0291","","","","","","0.9561","","","","has coordinates","250657","2020-10-21","18:00:00",""
"2022079","6.922","0.001","6.501","0.001","11.262","0.001","90","","90.485","0.001","90","","506.77","0.12","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H4 N4 O4 -","- C2 H4 N4 O4 -","- C8 H16 N16 O16 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.503","synchrotron","","0.0318","0.0264","","","0.0991","0.1106","","","","","","1.1205","","","","has coordinates","250658","2020-10-21","18:00:00",""
"2022080","13.659","0.003","6.256","0.001","12.862","0.003","90","","107","0.03","90","","1051","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5","synchrotron","","0.0241","0.0216","","","0.0569","0.0579","","","","","","1.0739","","","","has coordinates","250659","2020-10-21","18:00:00",""
"2022081","5.4315","0.0001","9.8019","0.0001","17.3505","0.0002","90","","90","","90","","923.72","0.02","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H15 Cl N2 O3 -","- C6 H15 Cl N2 O3 -","- C24 H60 Cl4 N8 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.475","synchrotron","","0.0147","0.0145","","","0.0367","0.0368","","","","","","1.1883","","","","has coordinates","250660","2020-10-21","18:00:00",""
"2022082","8.845","0.002","9.057","0.002","12.364","0.003","90","","94.56","0.03","90","","987.3","0.4","20","2","20","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N3 O6 -","- C17 H27 N3 O6 -","- C34 H54 N6 O12 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0182","0.0175","","","0.0415","0.0417","","","","","","1.1842","","","","has coordinates","250661","2020-10-21","18:00:00",""
"2022083","8.8994","0.0005","8.8994","0.0005","11.375","0.0011","90","","90","","90","","900.89","0.11","303","1","303","1","","","","","","","","5","P 43","P 4cw","78","","Poly[2-hydroxy-<i>N</i>-methylethan-1-aminium [μ~3~-cyanido-κ^3^<i>C</i>:<i>C</i>:<i>N</i>-di-μ-cyanido-κ^4^<i>C</i>:<i>N</i>-dicuprate(I)]]","","- C6 H10 Cu2 N4 O -","- C6 H10 Cu2 N4 O -","- C24 H40 Cu8 N16 O4 -","4","1","OP3005","Koenigsmann, Christopher; Rachid, Leena N.; Sheedy, Christina M.; Corfield, Peter W. R.","Synthesis, decomposition studies and crystal structure of a three-dimensional CuCN network structure with protonated <i>N</i>-methylethanolamine as the guest cation","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004477","","","0.7107","MoKα","","0.0281","0.0248","","","0.0476","0.0483","","","","","","1.079","","","","has coordinates,has Fobs","250918","2020-10-21","18:00:00",""
"2022084","17.1976","0.001","16.7629","0.0009","16.3162","0.001","90","","90","","90","","4703.7","0.5","295","","295","","","","","","","","","5","I b c a","-I 2b 2c","73","","Poly[[μ~2~-1,4-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^][μ~2~-5-(hydroxymethyl)isophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^]cobalt(II)]","","- C23 H20 Co N4 O5 -","- C23 H20 Co N4 O5 -","- C184 H160 Co8 N32 O40 -","8","0.5","ZO3003","Xu, Zhong-Xuan; Ou, Chun-Yan; Zhang, Chun-Xue","3D semiconducting Co‒MOFs based on 5-(hydroxymethyl)isophthalic acid and imidazole derivatives: syntheses and crystal structures","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004970","","x-ray","0.71073","MoKα","","0.0404","0.0316","","","0.0921","0.0964","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","250919","2020-10-21","18:00:00",""
"2022085","8.0331","0.0004","17.6045","0.0011","17.6523","0.0009","90","","98.077","0.004","90","","2471.6","0.2","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[tris[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis[μ~3~-5-(hydroxymethyl)isophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^]dicobalt(II)]","","- C54 H42 Co2 N12 O10 -","- C54 H42 Co2 N12 O10 -","- C108 H84 Co4 N24 O20 -","2","0.5","ZO3003","Xu, Zhong-Xuan; Ou, Chun-Yan; Zhang, Chun-Xue","3D semiconducting Co‒MOFs based on 5-(hydroxymethyl)isophthalic acid and imidazole derivatives: syntheses and crystal structures","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004970","","x-ray","0.71073","MoKα","","0.0628","0.0391","","","0.085","0.0966","","","","","","1.031","","","","has coordinates,has Fobs","250919","2020-10-21","18:00:00",""
"2022086","9.0061","0.0007","10.3811","0.0008","11.683","0.0009","82.848","0.007","84.322","0.007","67.522","0.008","999.87","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(methanol-κ<i>O</i>)bis[5-methyl-<i>N</i>,<i>N</i>'-bis(pyridin-4-yl)benzene-1,3-dicarboxamide-κ<i>N</i>]bis(thiocyanato-κ<i>N</i>)iron(II)","","- C42 H40 Fe N10 O6 S2 -","- C42 H40 Fe N10 O6 S2 -","- C42 H40 Fe N10 O6 S2 -","1","0.5","LF3116","Hao, Xiaoyun; Dou, Yong; Cao, Tong; Qin, Lan; Yang, Lu; Liu, Hui; Li, Dacheng; Liu, Qingyun; Zhang, Daopeng; Zhou, Zhen","Tuning of crystallization method and ligand conformation to give a mononuclear compound or two-dimensional SCO coordination polymer based on a new semi-rigid V-shaped bis-pyridyl bis-amide ligand","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004854","","","0.71073","MoKα","","0.0529","0.0411","","","0.1027","0.1105","","","","","","1.029","","","","has coordinates,has Fobs","250920","2020-10-21","18:00:00",""
"2022087","8.3685","0.0005","17.9701","0.001","14.8291","0.0011","90","","103.411","0.007","90","","2169.2","0.2","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[bis(thiocyanato-κ<i>N</i>)iron(II)]-bis[μ-5-methyl-<i>N</i>,<i>N</i>'-bis(pyridin-4-yl)benzene-1,3-dicarboxamide-κ^2^<i>N</i>:<i>N</i>']] methanol disolvate dihydrate]","","- C42 H44 Fe N10 O8 S2 -","- C42 H44 Fe N10 O8 S2 -","- C84 H88 Fe2 N20 O16 S4 -","2","0.5","LF3116","Hao, Xiaoyun; Dou, Yong; Cao, Tong; Qin, Lan; Yang, Lu; Liu, Hui; Li, Dacheng; Liu, Qingyun; Zhang, Daopeng; Zhou, Zhen","Tuning of crystallization method and ligand conformation to give a mononuclear compound or two-dimensional SCO coordination polymer based on a new semi-rigid V-shaped bis-pyridyl bis-amide ligand","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004854","","","0.71073","MoKα","","0.078","0.0639","","","0.1582","0.1686","","","","","","1.066","","","","has coordinates,has Fobs","250920","2020-10-21","18:00:00",""
"2022088","13.54","0.0007","14.0473","0.0006","22.0478","0.0012","90","","102.895","0.005","90","","4087.7","0.4","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bis{μ~3~-4-[(4-carboxy-3-carboxylatophenyl)dimethylsilyl]benzene-1,2-dicarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^3'^}-tris(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)trinickel(II)] methanol tetrasolvate]","","- C70 H114 N12 Ni3 O20 Si2 -","- C70 H114 N12 Ni3 O20 Si2 -","- C140 H228 N24 Ni6 O40 Si4 -","2","0.5","QF3038","Gavrish, Sergey P.; Shova, Sergiu; Cazacu, Maria; Lampeka, Yaroslaw D.","A 2D coordination polymer assembled from a nickel(II) tetraazamacrocyclic cation and 4,4'-(dimethylsilanediyl)diphthalate(3‒) linker","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005008","","","0.71073","MoKα","","0.1134","0.0683","","","0.1138","0.1295","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","250977","2020-10-21","18:00:00",""
"2022089","14.6563","0.0008","19.718","0.0009","7.2197","0.0005","90","","90","","94.0997","0.0017","2081.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1 (c,2*a+c,b)","-P 2ybc (-1/2*x+z,1/2*x,y)","14","sodium sulfite heptahydrate","Sodium sulfite heptahydrate","","- H14 Na2 O10 S -","- H14 Na2 O10 S -","- H112 Na16 O80 S8 -","8","","EP3004","Weil, Matthias; Mereiter, Kurt","Sodium sulfite heptahydrate and its relation to sodium carbonate heptahydrate","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004404","","","0.71073","MoKα","","0.029","0.0226","","","0.06","0.0627","","","","","","1.057","","","","has coordinates,has Fobs","250978","2020-10-21","18:00:00",""
"2022090","11.8576","0.0008","7.2197","0.0005","12.6965","0.0009","90","","106.794","0.0017","90","","1040.57","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","sodium sulfite heptahydrate","","","- H14 Na2 O10 S -","- H14 Na2 O10 S -","- H56 Na8 O40 S4 -","4","1","","Weil, Matthias; Mereiter, Kurt","Sodium sulfite heptahydrate and its relation to sodium carbonate heptahydrate","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004404","","","0.71073","MoKα","","0.029","0.0226","","","0.06","0.0627","","","","","","1.057","","","","has coordinates","250979","2020-10-21","18:00:00",""
"2022091","27.2812","0.0012","6.21","0.0003","20.9742","0.0009","90","","106.931","0.001","90","","3399.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,2-Bis(pyrimidin-5-yl)ethyne‒1,2,3,5-tetrafluoro-4,6-diiodobenzene (1/1)","","- C16 H6 F4 I2 N4 -","- C16 H6 F4 I2 N4 -","- C128 H48 F32 I16 N32 -","8","1","FN3332","Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric","Ditopic halogen bonding with bipyrimidines and activated pyrimidines","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005082","","","0.71073","MoKα","","0.0219","0.02","","","0.0492","0.0502","","","","","","1.083","","","","has coordinates,has Fobs","250980","2020-10-21","18:00:00",""
"2022092","10.4617","0.001","6.4681","0.0006","23.966","0.002","90","","100.069","0.001","90","","1596.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,5'-Bipyrimidine‒1,2,3,5-tetrafluoro-4,6-diiodobenzene (1/1)","","- C14 H6 F4 I2 N4 -","- C14 H6 F4 I2 N4 -","- C56 H24 F16 I8 N16 -","4","1","FN3332","Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric","Ditopic halogen bonding with bipyrimidines and activated pyrimidines","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005082","","","0.71073","MoKα","","0.0335","0.0293","","","0.0502","0.0512","","","","","","1.18","","","","has coordinates,has Fobs","250980","2020-10-21","18:00:00",""
"2022093","6.9939","0.0005","13.64","0.001","11.2299","0.0008","90","","94.26","0.001","90","","1068.34","0.13","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","5-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine‒1,2,3,5-tetrafluoro-4,6-diiodobenzene (1/1)","","- C20 H13 F4 I2 N3 -","- C20 H13 F4 I2 N3 -","- C40 H26 F8 I4 N6 -","2","0.5","FN3332","Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric","Ditopic halogen bonding with bipyrimidines and activated pyrimidines","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005082","","","0.71073","MoKα","","0.0187","0.0178","","","0.0428","0.0433","","","","","","1.064","","","","has coordinates,has Fobs","250980","2020-10-21","18:00:00",""
"2022094","9.174","0.0007","14.0178","0.001","17.5605","0.0013","100.065","0.001","95.285","0.001","107.225","0.001","2098.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine–1,2,3,5-tetrafluoro-4,6-diiodobenzene (1/1)","","- C20 H13 F4 I2 N3 -","- C20 H13 F4 I2 N3 -","- C80 H52 F16 I8 N12 -","4","2","FN3332","Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric","Ditopic halogen bonding with bipyrimidines and activated pyrimidines","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005082","","","0.71073","MoKα","","0.0245","0.0211","","","0.0483","0.0501","","","","","","1.038","","","","has coordinates,has Fobs","279947","2022-12-20","10:58:44",""
"2022095","9.3688","0.0006","11.4346","0.0007","12.0797","0.0007","62.075","0.001","82.31","0.001","68.234","0.001","1060.63","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine‒1,2,3,4-tetrafluoro-5,6-diiodobenzene (1/1)","","- C20 H13 F4 I2 N3 -","- C20 H13 F4 I2 N3 -","- C40 H26 F8 I4 N6 -","2","1","FN3332","Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric","Ditopic halogen bonding with bipyrimidines and activated pyrimidines","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005082","","","0.71073","MoKα","","0.0217","0.0197","","","0.0452","0.0462","","","","","","1.102","","","","has coordinates,has Fobs","250980","2020-10-21","18:00:00",""
"2022096","7.2512","0.0006","20.6215","0.0017","17.1906","0.0014","90","","101.166","0.001","90","","2521.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine‒1,2,3,4-tetrafluoro-5,6-diiodobenzene‒benzene (1/1/1)","","- C26 H19 F4 I2 N3 -","- C26 H19 F4 I2 N3 -","- C104 H76 F16 I8 N12 -","4","1","FN3332","Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric","Ditopic halogen bonding with bipyrimidines and activated pyrimidines","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005082","","","0.71073","MoKα","","0.0413","0.0316","","","0.0737","0.0777","","","","","","1.045","","","","has coordinates,has Fobs","250980","2020-10-21","18:00:00",""
"2022097","9.0191","0.0018","26.805","0.005","9.5664","0.0019","90","","112.052","0.003","90","","2143.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine‒1,2,4,5-tetrafluoro-3,6-diiodobenzene (1/1)","","- C20 H13 F4 I2 N3 -","- C20 H13 F4 I2 N3 -","- C80 H52 F16 I8 N12 -","4","1","FN3332","Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric","Ditopic halogen bonding with bipyrimidines and activated pyrimidines","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005082","","","0.71073","MoKα","","0.0612","0.0557","","","0.1446","0.1472","","","","","","1.132","","","","has coordinates,has Fobs","250980","2020-10-21","18:00:00",""
"2022098","6.091","0.0013","17.016","0.004","10.707","0.002","90","","90.581","0.005","90","","1109.7","0.4","120.15","","120.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8a-Phenyl-2,3,4,7,8,8a-hexahydropyrrolo[1,2-<i>a</i>]pyrimidin-6(1<i>H</i>)-one","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","1","OV3138","Grinev, Vyacheslav S.; Linkova, Elena I.; Krainov, Mikhail N.; Dmitriev, Maksim V.; Yegorova, Alevtina Yu.","Crystal structures, packing features, Hirshfeld surface analyses and DFT calculations of hydrogen-bond energy of two homologous 8a-aryl-2,3,4,7,8,8a-hexahydropyrrolo[1,2-<i>a</i>]pyrimidin-6(1<i>H</i>)-ones","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005409","","x-ray","0.71073","MoKα","","0.0959","0.0698","","","0.1929","0.2076","","","","","","1.083","","","","has coordinates,has disorder,has Fobs","251175","2020-10-21","18:00:00",""
"2022099","10.143","0.002","11.703","0.003","10.776","0.003","90","","107.84","0.03","90","","1217.6","0.6","295","2","295.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8a-(4-Methylphenyl)-2,3,4,7,8,8a-hexahydropyrrolo[1,2-<i>a</i>]pyrimidin-6(1<i>H</i>)-one","","- C14 H18 N2 O -","- C14 H18 N2 O -","- C56 H72 N8 O4 -","4","1","OV3138","Grinev, Vyacheslav S.; Linkova, Elena I.; Krainov, Mikhail N.; Dmitriev, Maksim V.; Yegorova, Alevtina Yu.","Crystal structures, packing features, Hirshfeld surface analyses and DFT calculations of hydrogen-bond energy of two homologous 8a-aryl-2,3,4,7,8,8a-hexahydropyrrolo[1,2-<i>a</i>]pyrimidin-6(1<i>H</i>)-ones","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005409","","x-ray","0.71073","MoKα","","0.0657","0.0498","","","0.1213","0.135","","","","","","1.035","","","","has coordinates,has Fobs","251175","2020-10-21","18:00:00",""
"2022100","9.251","0.002","9.516","0.002","13.217","0.004","90","","90.06","0.02","90","","1163.5","0.5","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium carnallite","Potassium chloride magnesium dichloride hexahydrate","","- Cl3 H12 K Mg O6 -","- Cl3 H12 K Mg O6 -","- Cl12 H48 K4 Mg4 O24 -","4","0.5","UK3195","Pannach, Melanie; Paschke, Iris; Schmidt, Horst; Freyer, Daniela; Voigt, Wolfgang","Crystallization of metastable monoclinic carnallite, KCl·MgCl~2~·6H~2~O: missing structural link in the carnallite family","Acta Crystallographica Section C","2020","76","5","507","512","10.1107/S2053229620005197","","","0.71073","MoKα","","0.045","0.0347","","","0.0882","0.0961","","","","","","1.206","","","","has coordinates,has Fobs","251302","2020-10-21","18:00:00",""
"2022101","8.647","0.003","8.819","0.003","10.125","0.002","70.58","0.02","79.61","0.03","75.26","0.03","700.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[diaquacopper(II)]-bis[μ-2-(pyridin-4-yl)quinoline-4-carboxylato]-κ^2^<i>N</i>^2^,<i>O</i>;κ^2^<i>O</i>,<i>N</i>]","","- C30 H26 Cu N4 O8 -","- C30 H26 Cu N4 O8 -","- C30 H26 Cu N4 O8 -","1","0.5","EF3006","Twaróg, Kamil; Hołyńska, Małgorzata; Kochel, Andrzej","A new photoluminescent coordination polymer constructed with an N-donor ligand having extended coordination capabilities derived from quinoline and pyridine","Acta Crystallographica Section C","2020","76","5","500","506","10.1107/S2053229620004593","","","0.71073","MoKα","","0.0793","0.0533","","","0.0984","0.1078","","","","","","0.997","","","","has coordinates,has Fobs","251303","2020-10-21","18:00:00",""
"2022102","8.402","0.003","13.243","0.003","24.421","0.003","90","","95.08","0.03","90","","2706.6","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-Carboxyquinolin-2-yl)pyridinium chloride monohydrate","","- C15 H13 Cl N2 O3 -","- C15 H13 Cl N2 O3 -","- C120 H104 Cl8 N16 O24 -","8","2","EF3006","Twaróg, Kamil; Hołyńska, Małgorzata; Kochel, Andrzej","A new photoluminescent coordination polymer constructed with an N-donor ligand having extended coordination capabilities derived from quinoline and pyridine","Acta Crystallographica Section C","2020","76","5","500","506","10.1107/S2053229620004593","","","0.71073","MoKα","","0.1157","0.0569","","","0.1034","0.1109","","","","","","1.066","","","","has coordinates,has Fobs","251303","2020-10-21","18:00:00",""
"2022103","9.1086","0.0002","6.3149","0.0002","11.0428","0.0003","90","","95.585","0.001","90","","632.17","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","7-Iodo-5-aza-7-deazaguanosine","","- C10 H12 I N5 O5 -","- C10 H12 I N5 O5 -","- C20 H24 I2 N10 O10 -","2","1","YF3200","Kondhare, Dasharath; Budow-Busse, Simone; Daniliuc, Constantin; Seela, Frank","7-Iodo-5-aza-7-deazaguanine ribonucleoside: crystal structure, physical properties, base-pair stability and functionalization","Acta Crystallographica Section C","2020","76","5","513","523","10.1107/S2053229620004684","","","1.54178","CuKα","","0.037","0.0361","","","0.0964","0.097","","","","","","1.07","","","","has coordinates,has Fobs","251304","2020-10-21","18:00:00",""
"2022104","12.8308","0.0006","21.3307","0.0012","4.6463","0.0002","90","","90","","90","","1271.65","0.11","180","2","180","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2,3,5,6-Tetrafluoro-1,4-diiodobenzene dimethyl sulfoxide","","- C8 H6 F4 I2 O S -","- C8 H6 F4 I2 O S -","- C32 H24 F16 I8 O4 S4 -","4","0.5","SK3750","Bond, Andrew D.; Truscott, Chris L.","Polymorphism and phase transformation in the dimethyl sulfoxide solvate of 2,3,5,6-tetrafluoro-1,4-diiodobenzene","Acta Crystallographica Section C","2020","76","5","524","529","10.1107/S2053229620005690","","","0.71073","MoKα","","0.0637","0.0333","","","0.0747","0.0862","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","251353","2020-10-21","18:00:00",""
"2022105","10.6731","0.0002","18.0023","0.0005","6.547","0.0002","90","","90","","90","","1257.94","0.06","120","2","120","2","","","","","","","","6","","P 2ac 2ab (x,y,z+1/4)","19","","2,3,5,6-Tetrafluoro-1,4-diiodobenzene dimethyl sulfoxide","","- C8 H6 F4 I2 O S -","- C8 H6 F4 I2 O S -","- C32 H24 F16 I8 O4 S4 -","4","","SK3750","Bond, Andrew D.; Truscott, Chris L.","Polymorphism and phase transformation in the dimethyl sulfoxide solvate of 2,3,5,6-tetrafluoro-1,4-diiodobenzene","Acta Crystallographica Section C","2020","76","5","524","529","10.1107/S2053229620005690","","","0.71073","MoKα","","0.0722","0.0428","","","0.0698","0.0775","","","","","","0.99","","","","has coordinates,has Fobs","251353","2020-10-21","18:00:00",""
"2022106","11.6799","0.0004","18.2664","0.0008","6.0984","0.0002","90","","90","","90","","1301.09","0.08","220","2","220","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2,3,5,6-Tetrafluoro-1,4-diiodobenzene dimethyl sulfoxide","","- C8 H6 F4 I2 O S -","- C7.9982 H5.9952 F4 I2 O0.999 S0.9992 -","- C31.9928 H23.9808 F16 I8 O3.996 S3.9968 -","4","0.5","SK3750","Bond, Andrew D.; Truscott, Chris L.","Polymorphism and phase transformation in the dimethyl sulfoxide solvate of 2,3,5,6-tetrafluoro-1,4-diiodobenzene","Acta Crystallographica Section C","2020","76","5","524","529","10.1107/S2053229620005690","","","0.71073","MoKα","","0.0734","0.0382","","","0.0708","0.0824","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","251353","2020-10-21","18:00:00",""
"2022107","10.1953","0.0004","14.2866","0.0005","14.9027","0.0005","90","","103.845","0.003","90","","2107.6","0.13","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-[(2<i>E</i>)-2-(1<i>H</i>-Imidazol-4-ylmethylidene)-1-methylhydrazinyl]pyridine","","- C10 H11 N5 -","- C10 H11 N5 -","- C80 H88 N40 -","8","2","EF3005","Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej","Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands","Acta Crystallographica Section C","2020","76","4","367","374","10.1107/S2053229620004131","","","0.7107","MoKα","","0.0527","0.0396","","","0.0954","0.104","","","","","","1.051","","","","has coordinates,has Fobs","251786","2020-10-21","18:00:00",""
"2022108","8.2711","0.0007","14.0773","0.0012","22.2655","0.0016","90","","99.373","0.008","90","","2557.9","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[(2<i>E</i>)-2-(1<i>H</i>-Imidazol-2-ylmethylidene)-1-methylhydrazinyl]-1<i>H</i>-benzimidazole monohydrate","","- C12 H14 N6 O -","- C12 H14 N6 O -","- C96 H112 N48 O8 -","8","2","EF3005","Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej","Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands","Acta Crystallographica Section C","2020","76","4","367","374","10.1107/S2053229620004131","","x-ray","0.71073","MoKα","","0.1007","0.0486","","","0.087","0.1018","","","","","","0.946","","","","has coordinates,has Fobs","251786","2020-10-21","18:00:00",""
"2022109","9.1836","0.0003","16.5814","0.0004","20.8041","0.0006","106.76","0.002","97.854","0.002","103.408","0.002","2879.43","0.15","130","1","130","1","","","","","","","","4","P -1","-P 1","2","","2-{(2<i>E</i>)-1-Methyl-2-[(1-methyl-1<i>H</i>-imidazol-2-yl)methylidene]hydrazinyl}-1<i>H</i>-benzimidazole hydrate","","- C13 H16.5 N6 O1.25 -","- C13 H16.5 N6 O1.25 -","- C104 H132 N48 O10 -","8","4","EF3005","Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej","Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands","Acta Crystallographica Section C","2020","76","4","367","374","10.1107/S2053229620004131","","x-ray","1.54184","CuKα","","0.055","0.0467","","","0.1295","0.1399","","","","","","1.025","","","","has coordinates,has Fobs","279947","2022-12-20","10:58:44",""
"2022110","8.9818","0.0005","9.5704","0.0005","21.1278","0.0012","90","","95.383","0.005","90","","1808.12","0.17","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5-{(1<i>E</i>)-[2-(1<i>H</i>-1,3-Benzodiazol-2-yl)-2-methylhydrazinylidene]methyl}-1<i>H</i>-imidazol-3-ium trifluoromethanesulfonate monohydrate","","- C13 H15 F3 N6 O4 S -","- C13 H15 F3 N6 O4 S -","- C52 H60 F12 N24 O16 S4 -","4","1","EF3005","Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej","Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands","Acta Crystallographica Section C","2020","76","4","367","374","10.1107/S2053229620004131","","x-ray","0.71073","MoKα","","0.0761","0.0599","","","0.1554","0.1678","","","","","","1.034","","","","has coordinates,has Fobs","251786","2020-10-21","18:00:00",""
"2022111","12.2524","0.0005","14.0242","0.0005","11.4488","0.0005","90","","102.259","0.004","90","","1922.39","0.14","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-{(2<i>E</i>)-1-Methyl-2-[(1<i>H</i>-imidazol-3-ium-2-yl)methylidene]hydrazinyl}pyridinium bis(trifluoromethanesulfonate)","","- C12 H13 F6 N5 O6 S2 -","- C12 H13 F6 N5 O6 S2 -","- C48 H52 F24 N20 O24 S8 -","4","1","EF3005","Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej","Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands","Acta Crystallographica Section C","2020","76","4","367","374","10.1107/S2053229620004131","","x-ray","0.71073","MoKα","","0.0692","0.0489","","","0.1227","0.1319","","","","","","1.049","","","","has coordinates,has Fobs","251786","2020-10-21","18:00:00",""
"2022112","4.1177","0.0013","13.502","0.004","14.151","0.004","78.864","0.012","83.719","0.012","87.935","0.012","767.2","0.4","290","2","290","2","","","","","","","","5","P -1","-P 1","2","(<i>E</i>)-1,2-Bis(pyridin-4-yl)ethene‒1,2-diiodoperchlorobenzene","1,2-Diiodo-3,4,5,6-chlorobenzene‒<i>trans</i>-1,2-bis(pyridin-4-yl)thylene (2/1)","","- C12 H5 Cl4 I2 N -","- C12 H5 Cl4 I2 N -","- C24 H10 Cl8 I4 N2 -","2","1","OV3139","Bosch, Eric; Battle, Jessica D.; Groeneman, Ryan H.","Crystal structure and photoreactivity of a halogen-bonded cocrystal based upon 1,2-diiodoperchlorobenzene and 1,2-bis(pyridin-4-yl)ethylene","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006233","","","0.71073","MoKα","","0.0393","0.0288","","","0.0586","0.0654","","","","","","1.111","","","","has coordinates,has disorder,has Fobs","252048","2020-10-21","18:00:00",""
"2022113","9.1612","0.0004","10.8591","0.0006","11.7273","0.0007","94.303","0.004","101.914","0.004","106.254","0.004","1084.89","0.11","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-amino-3-ammoniopyridinium) hexachloridobismuth(III) chloride monohydrate","","- C10 H20 Bi Cl7 N6 O -","- C10 H20 Bi Cl7 N6 O -","- C20 H40 Bi2 Cl14 N12 O2 -","2","1","FP3085","Senior, Levi; Linden, Anthony","Halobismuth(III) salts with substituted aminopyridinium cations","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006130","","x-ray","0.71073","MoKα","","0.0416","0.0364","","","0.0707","0.0748","","","","","","1.031","","","","has coordinates,has Fobs","252049","2020-10-21","18:00:00",""
"2022114","8.8144","0.0003","8.9982","0.0003","12.344","0.0004","76.784","0.003","87.111","0.003","88.514","0.003","951.8","0.06","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(2-amino-3-methylpyridinium) di-μ-chlorido-bis[tetrachloridobismuth(III)]","","- C24 H36 Bi2 Cl10 N8 -","- C24 H36 Bi2 Cl10 N8 -","- C24 H36 Bi2 Cl10 N8 -","1","0.5","FP3085","Senior, Levi; Linden, Anthony","Halobismuth(III) salts with substituted aminopyridinium cations","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006130","","x-ray","0.71073","MoKα","","0.0277","0.0241","","","0.0469","0.0486","","","","","","1.024","","","","has coordinates,has Fobs","252049","2020-10-21","18:00:00",""
"2022115","9.2145","0.0003","9.0678","0.0002","12.6314","0.0004","75.476","0.003","86.926","0.003","89.221","0.002","1020.22","0.05","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(2-amino-3-methylpyridinium) di-μ-bromido-bis[tetrabromidobismuth(III)]","","- C24 H36 Bi2 Br10 N8 -","- C24 H36 Bi2 Br10 N8 -","- C24 H36 Bi2 Br10 N8 -","1","0.5","FP3085","Senior, Levi; Linden, Anthony","Halobismuth(III) salts with substituted aminopyridinium cations","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006130","","x-ray","0.71073","MoKα","","0.0347","0.0282","","","0.0558","0.0592","","","","","","1.059","","","","has coordinates,has Fobs","252049","2020-10-21","18:00:00",""
"2022116","18.0583","0.0002","12.0745","0.00012","13.438","0.00015","90","","104.08","0.0011","90","","2842.05","0.05","160","2","160","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(4-amino-3-ammoniopyridinium) di-μ-chlorido-bis[tetrachloridobismuth(III)] dihydrate","","- C10 H22 Bi2 Cl10 N6 O2 -","- C10 H22 Bi2 Cl10 N6 O2 -","- C40 H88 Bi8 Cl40 N24 O8 -","4","0.5","FP3085","Senior, Levi; Linden, Anthony","Halobismuth(III) salts with substituted aminopyridinium cations","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006130","","x-ray","0.71073","MoKα","","0.0181","0.0155","","","0.0289","0.0296","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","252049","2020-10-21","18:00:00",""
"2022117","12.02106","0.00015","7.8088","0.00009","15.3298","0.0002","90","","90.053","0.0011","90","","1439.01","0.03","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[2,6-diaminopyridinium [[<i>cis</i>-diiodidobismuth(III)]-di-μ-iodido]]","","- C5 H8 Bi I4 N3 -","- C5 H8 Bi I4 N3 -","- C20 H32 Bi4 I16 N12 -","4","1","FP3085","Senior, Levi; Linden, Anthony","Halobismuth(III) salts with substituted aminopyridinium cations","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006130","","x-ray","0.71073","MoKα","","0.0241","0.0203","","","0.0381","0.0397","","","","","","1.054","","","","has coordinates,has Fobs","252049","2020-10-21","18:00:00",""
"2022118","11.6622","0.00015","14.08143","0.00019","7.35193","0.00009","90","","94.7149","0.0013","90","","1203.25","0.03","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[2,6-diaminopyridinium [[<i>cis</i>-dibromidobismuth(III)]-di-μ-bromido]]","","- C5 H7 Bi Br4 N2 -","- C5 H7 Bi Br4 N2 -","- C20 H28 Bi4 Br16 N8 -","4","1","FP3085","Senior, Levi; Linden, Anthony","Halobismuth(III) salts with substituted aminopyridinium cations","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006130","","x-ray","0.71073","MoKα","","0.029","0.0231","","","0.0473","0.0496","","","","","","1.049","","","","has coordinates,has Fobs","252049","2020-10-21","18:00:00",""
"2022119","12.3143","0.0014","16.3192","0.0019","23.367","0.003","90","","103.545","0.003","90","","4565.2","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[(μ~4~-biphenyl-2,2',5,5'-tetracarboxylato)bis{[1,3-phenylenebis(methylene)]bis(1<i>H</i>-imidazole)}dizinc(II)] dimethylformamide monosolvate dihydrate]","","- C47 H45 N9 O11 Zn2 -","- C44 H34 N8 O8 Zn2 -","- C176 H136 N32 O32 Zn8 -","4","0.5","EF3007","Su, Feng; Yu, Jinyang; Zhou, Chengyong; Li, Shaodong; Ma, Pengyi; Zhang, Xuhui; Wang, Zhijun","Two Zn^II^-based MOFs constructed with biphenyl-2,2',5,5'-tetracarboxylic acid and flexible N-donor ligands: syntheses, structures and properties","Acta Crystallographica Section C","2020","76","6","","","10.1107/S205322962000604X","","","0.71073","MoKα","","0.1167","0.0543","","","0.0979","0.1167","","","","","","1.005","","","","has coordinates,has Fobs","252050","2020-10-21","18:00:00",""
"2022120","12.436","0.0007","24.0412","0.0013","28.4613","0.0015","90","","90","","90","","8509.3","0.8","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Poly[[(μ~4~-biphenyl-2,2',5,5'-tetracarboxylato)bis{[1,4-πhenylenebis(methylene)]bis(1<i>H</i>-imidazole)}dizinc(II)] monohydrate]","","- C44 H36 N8 O9 Zn2 -","- C44 H36 N8 O9 Zn2 -","- C352 H288 N64 O72 Zn16 -","8","0.5","EF3007","Su, Feng; Yu, Jinyang; Zhou, Chengyong; Li, Shaodong; Ma, Pengyi; Zhang, Xuhui; Wang, Zhijun","Two Zn^II^-based MOFs constructed with biphenyl-2,2',5,5'-tetracarboxylic acid and flexible N-donor ligands: syntheses, structures and properties","Acta Crystallographica Section C","2020","76","6","","","10.1107/S205322962000604X","","","0.71073","MoKα","","0.0717","0.0508","","","0.1201","0.1325","","","","","","1.006","","","","has coordinates,has Fobs","252050","2020-10-21","18:00:00",""
"2022121","18.464","0.0007","13.7652","0.0006","9.3158","0.0003","90","","98.847","0.004","90","","2339.54","0.16","110","1","110","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1-(<i>o</i>-Tolyl)biguanidium chloride","2-[Amino(iminiumyl)methyl]-1-(2-methylphenyl)guanidine chloride","","- C9 H14 Cl N5 -","- C9 H14 Cl N5 -","- C72 H112 Cl8 N40 -","8","1","KU3263","Kaabi, Kamel; Klai, Kacem; Wenger, Emmanuel; Jelsch, Christian; Lefebvre, Frédéric; Nasr, Cherif Ben","Synthesis, structural elucidation, characterization and theoretical DFT study of 1-(<i>o</i>-tolyl)biguanidium chloride","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006336","","","0.71073","MoKα","","0.0567","0.0567","","","0.0612","0.0654","","","","","","0.974","","","","has coordinates,has Fobs","252170","2020-10-21","18:00:00",""
"2022122","12.98","0.003","16.037","0.003","7.8571","0.0016","90","","92.406","0.003","90","","1634.1","0.6","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{Diiodo[(phenyltellanyl)selanyl]-λ^4^-tellanyl}benzene","","- C12 H10 I2 Se Te2 -","- C12 H10 I2 Se Te2 -","- C48 H40 I8 Se4 Te8 -","4","1","YF3201","Torubaev, Yury V.","Chimeric supramolecular synthons in Ph~2~Te~2~(I~2~)Se","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006166","","","0.71073","MoKα","","0.093","0.0452","","","0.0684","0.0809","","","","","","0.979","","","","has coordinates,has Fobs","252171","2020-10-21","18:00:00",""
"2022123","11.7867","0.0011","4.4744","0.0004","15.0453","0.0014","90","","112.464","0.007","90","","733.26","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(Chloromethyl)-3-nitrobenzene","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","SK3749","Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard","Can we trust the experiment? Anisotropic displacement parameters in 1-(halomethyl)-3-nitrobenzene (halogen = Cl or Br)","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006221","","x-ray","0.71073","MoKα","","0.0375","0.0295","","","0.0833","0.0852","","","","","","1.062","","","","has coordinates,has Fobs","252239","2020-10-21","18:00:00",""
"2022124","11.785","0.004","4.469","0.0009","15.004","0.004","90","","112.537","0.006","90","","729.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1","1-(Chloromethyl)-3-nitrobenzene","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","SK3749","Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard","Can we trust the experiment? Anisotropic displacement parameters in 1-(halomethyl)-3-nitrobenzene (halogen = Cl or Br)","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006221","","","0.61992","synchrotron","","0.0453","0.0431","","","0.1202","0.122","","","","","","1.072","","","","has coordinates,has Fobs","252239","2020-10-21","18:00:00",""
"2022125","12.1412","0.0005","4.4763","0.0002","15.0876","0.0006","90","","112.626","0.003","90","","756.87","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(Bromomethyl)-3-nitrobenzene","","- C7 H6 Br N O2 -","- C7 H6 Br N O2 -","- C28 H24 Br4 N4 O8 -","4","1","SK3749","Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard","Can we trust the experiment? Anisotropic displacement parameters in 1-(halomethyl)-3-nitrobenzene (halogen = Cl or Br)","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006221","","x-ray","0.71073","MoKα","","0.0673","0.0368","","","0.0719","0.0749","","","","","","1.086","","","","has coordinates,has Fobs","252239","2020-10-21","18:00:00",""
"2022126","12.152","0.009","4.47","0.003","15.07","0.011","90","","112.56","0.02","90","","756","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(Bromomethyl)-3-nitrobenzene","","- C7 H6 Br N O2 -","- C7 H6 Br N O2 -","- C28 H24 Br4 N4 O8 -","4","1","SK3749","Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard","Can we trust the experiment? Anisotropic displacement parameters in 1-(halomethyl)-3-nitrobenzene (halogen = Cl or Br)","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006221","","","0.61992","synchrotron","","0.0346","0.0326","","","0.088","0.0895","","","","","","1.104","","","","has coordinates,has Fobs","252239","2020-10-21","18:00:00",""
"2022127","9.738","0.0009","9.9295","0.0011","10.803","0.001","75.924","0.009","79.438","0.008","86.77","0.008","995.97","0.18","293","2","293","2","","","","","","","","4","P 1","P 1","1","","4,4',4''-(4,4,8,8,12,12-Hexamethyl-8,12-dihydro-4<i>H</i>-benzo[9,1]\ quinolizino[3,4,5,6,7-<i>defg</i>]acridine-2,6,10-triyl)tribenzoic acid methanol 1.25-solvate","","- C49.25 H44 N O7.25 -","- C49.25 H44 N O7.25 -","- C49.25 H44 N O7.25 -","1","1","OV3137","Zhao, Yong-Jin; Ma, Jian-Ping; Fan, Jianzhong; Geng, Yan; Dong, Yu-Bin","Syntheses and structures of two novel fluorescent metal‒organic frameworks generated from a tridentate donor‒acceptor motif ligand","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006488","","x-ray","0.71073","MoKα","","0.0545","0.045","","","0.1067","0.1165","","","","","","1.046","","","","has coordinates,has Fobs","252311","2020-10-21","18:00:00",""
"2022128","10.557","0.0004","11.7711","0.0005","20.7242","0.0009","89.106","0.003","87.402","0.003","66.982","0.004","2367.86","0.18","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[triaquacadmium(II)]-μ-10-(4-carboxyphenyl)-4,4'-(4,4,8,8,12,12-hexamethyl-8,12-dihydro-4<i>H</i>-benzo[9,1]quinolizino[3,4,5,6,7-<i>defg</i>]acridine-2,6-diyl)dibenzoato]","","- C48 H43 Cd N O9 -","- C48 H43 Cd N O9 -","- C96 H86 Cd2 N2 O18 -","2","1","OV3137","Zhao, Yong-Jin; Ma, Jian-Ping; Fan, Jianzhong; Geng, Yan; Dong, Yu-Bin","Syntheses and structures of two novel fluorescent metal‒organic frameworks generated from a tridentate donor‒acceptor motif ligand","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006488","","x-ray","1.54184","CuKα","","0.0432","0.0421","","","0.1024","0.1031","","","","","","1.053","","","","has coordinates,has disorder","252311","2020-10-21","18:00:00",""
"2022129","6.16863","0.00014","34.8853","0.0008","22.0643","0.0004","90","","91.825","0.002","90","","4745.71","0.18","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~3~-4,4',4''-(4,4,8,8,12,12-hexamethyl-8,12-dihydro-4<i>H</i>-benzo[9,1]quinolizino[3,4,5,6,7-<i>defg</i>]acridine-2,6,10-triyl)tribenzoato](μ~3~-hydroxido)dizinc(II)]","","- C48 H37 N O7 Zn2 -","- C48 H37 N O7 Zn2 -","- C192 H148 N4 O28 Zn8 -","4","1","OV3137","Zhao, Yong-Jin; Ma, Jian-Ping; Fan, Jianzhong; Geng, Yan; Dong, Yu-Bin","Syntheses and structures of two novel fluorescent metal‒organic frameworks generated from a tridentate donor‒acceptor motif ligand","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006488","","x-ray","1.54184","CuKα","","0.0694","0.0611","","","0.1748","0.1848","","","","","","1.076","","","","has coordinates","252311","2020-10-21","18:00:00",""
"2022130","12.7917","0.0014","12.7917","0.0014","5.8996","0.0006","90","","90","","120","","836.01","0.15","200","2","200","2","","","","","","","","4","P 3","P 3","143","3,5,7-Trinitro-1-azaadamantane","2,5,7-Trinitro-1-azatricyclo[3.3.1.13.7]decane","","- C9 H12 N4 O6 -","- C9 H12 N4 O6 -","- C27 H36 N12 O18 -","3","1","VP3006","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Krautscheid, Harald","Bulk polarity of 3,5,7-trinitro-1-azaadamantane mediated by asymmetric NO~2~(lone pair)···NO~2~(π-hole) supramolecular bonding","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006762","","","0.71073","MoKα","","0.0426","0.0321","","","0.0602","0.0632","","","","","","0.92","","","","has coordinates,has Fobs","252312","2020-10-21","18:00:00",""
"2022131","11.857","0.003","12.936","0.003","13.877","0.003","90","","90","","90","","2128.5","0.9","200","","200","","","","","","","","","5","P m m a","-P 2a 2a","51","","Poly[(μ-4,4'-bipyridyl)[μ~8~-4,4',4'',4'''-(ethene-1,1,2,2-tetrayl)tetrabenzoato]cobalt(II)]","","- C40 H24 Co2 N2 O8 -","- C40 H24 Co2 N2 O8 -","- C80 H48 Co4 N4 O16 -","2","0.25","YP3203","Dou, Yong; Yang, Lu; Qin, Lan; Dong, Yunhui; Zhou, Zhen; Zhang, Daopeng; Wang, Suna","Self-assembly of a cobalt(II)-based metal‒organic framework as an effective water-splitting heterogeneous catalyst for light-driven hydrogen production","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620007044","","","0.71073","MoKα","","0.0828","0.0572","","","0.1543","0.1774","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","252456","2020-10-21","18:00:00",""
"2022132","10.5601","0.0007","11.0044","0.0012","11.8145","0.001","80.212","0.008","69.124","0.007","78.565","0.007","1249.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[diaqua[1,2-bis(pyridin-4-yl)ethene]{4-[2-(pyridin-4-yl)ethenyl]pyridinium}gold(I)iron(II)]-di-μ-cyanido] bis[dicyanidogold(I)] 1,2-bis(pyridin-4-yl)ethene dihydrate]","","- C42 H39 Au3 Fe N12 O4 -","- C42 H39 Au3 Fe N12 O4 -","- C42 H39 Au3 Fe N12 O4 -","1","0.5","TX2022","Partsevska, Sofiia V.; Naumova, Dina D.; Matushko, Igor P.; Shova, Sergiu; Gural'skiy, Il'ya A.","Crystal structure of catena-poly[[[diaqua[1,2-bis(pyridin-4-yl)ethene]{4-[2-(pyridin-4-yl)ethenyl]pyridinium}gold(I)iron(II)]-di-μ-cyanido] bis[dicyanidogold(I)] 1,2-bis(pyridin-4-yl)ethene dihydrate]","Acta Crystallographica Section E Crystallographic Communications","2020","76","6","944","","10.1107/S2056989020006738","","","0.71073","MoKα","","0.0645","0.0501","","","0.1426","0.1555","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","252481","2020-10-21","18:00:00",""
"2022133","7.9253","0.0016","5.9962","0.0014","8.433","0.002","90","","113.551","0.018","90","","367.37","0.15","120","","120","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","4,6-Dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium bifluoride","","- C6 H10 F2 N2 O -","- C6 H10 F2 N2 O -","- C12 H20 F4 N4 O2 -","2","0.5","WP3004","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław","Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides","Acta Crystallographica Section C","2020","76","5","468","475","10.1107/S2053229620005525","","x-ray","0.71073","MoKα","","0.0371","0.0352","","","0.0949","0.0964","","","","","","1.053","","","","has coordinates,has Fobs","252947","2020-10-21","18:00:00",""
"2022134","14.4984","0.0018","6.722","0.002","8.113","0.007","90","","90","","90","","790.7","0.7","120","","120","","","","","","","","","5","P n m a","-P 2ac 2n","62","4,6-Dimethyl-2-pyrimidonium bromide","4,6-Dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium bromide","","- C6 H9 Br N2 O -","- C6 H9 Br N2 O -","- C24 H36 Br4 N8 O4 -","4","0.5","WP3004","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław","Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides","Acta Crystallographica Section C","2020","76","5","468","475","10.1107/S2053229620005525","","x-ray","0.71073","MoKα","","0.035","0.0312","","","0.0919","0.0963","","","","","","1.088","","","","has coordinates,has Fobs","252947","2020-10-21","18:00:00",""
"2022135","7.1803","0.001","7.2139","0.0018","8.6574","0.0012","90","","100.603","0.011","90","","440.78","0.14","120","","120","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","4,6-Dimethyl-2-pyrimidonium iodide","4,6-Dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium iodide","","- C6 H9 I N2 O -","- C6 H9 I N2 O -","- C12 H18 I2 N4 O2 -","2","0.5","WP3004","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław","Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides","Acta Crystallographica Section C","2020","76","5","468","475","10.1107/S2053229620005525","","x-ray","0.71073","MoKα","","0.0597","0.0589","","","0.1642","0.1646","","","","","","1.094","","","","has coordinates,has Fobs","252947","2020-10-21","18:00:00",""
"2022136","8.772","0.001","11.5579","0.001","14.07","0.0016","90","","127.378","0.007","90","","1133.6","0.2","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4,6-Dimethyl-2-pyrimidonium iodide‒urea (1/1)","4,6-Dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium iodide‒urea (1/1)","","- C7 H13 I N4 O2 -","- C7 H13 I N4 O2 -","- C28 H52 I4 N16 O8 -","4","1","WP3004","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław","Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides","Acta Crystallographica Section C","2020","76","5","468","475","10.1107/S2053229620005525","","x-ray","0.71073","MoKα","","0.0336","0.0324","","","0.0919","0.0934","","","","","","1.068","","","","has coordinates,has Fobs","252947","2020-10-21","18:00:00",""
"2022137","6.3876","0.0011","8.8268","0.0013","10.5","0.002","90","","99.355","0.015","90","","584.14","0.17","120","","120","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","4,6-Dimethyl-2-pyrimidothionium bifluoride‒thiourea (1/1)","4,6-Dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-1-ium bifluoride‒thiourea (1/1)","","- C7 H14 F2 N4 S2 -","- C7 H14 F2 N4 S2 -","- C14 H28 F4 N8 S4 -","2","0.5","WP3004","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław","Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides","Acta Crystallographica Section C","2020","76","5","468","475","10.1107/S2053229620005525","","x-ray","0.71073","MoKα","","0.0749","0.0707","","","0.2168","0.2199","","","","","","1.18","","","","has coordinates,has Fobs","252947","2020-10-21","18:00:00",""
"2022138","8.4675","0.0011","14.9142","0.0019","6.8814","0.0009","90","","101.575","0.01","90","","851.35","0.19","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4,6-Dimethyl-2-pyrimidothionium bromide","4,6-Dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-1-ium bromide","","- C6 H9 Br N2 S -","- C6 H9 Br N2 S -","- C24 H36 Br4 N8 S4 -","4","0.5","WP3004","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław","Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides","Acta Crystallographica Section C","2020","76","5","468","475","10.1107/S2053229620005525","","x-ray","0.71073","MoKα","","0.0663","0.0644","","","0.1641","0.1681","","","","","","1.052","","","","has coordinates,has Fobs","252947","2020-10-21","18:00:00",""
"2022139","8.7198","0.0014","15.095","0.003","7.0716","0.0011","90","","90","","90","","930.8","0.3","120","","120","","","","","","","","","5","C m c m","-C 2c 2","63","4,6-Dimethyl-2-pyrimidothionium iodide","4,6-Dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-1-ium iodide","","- C6 H9 I N2 S -","- C6 H9 I N2 S -","- C24 H36 I4 N8 S4 -","4","0.25","WP3004","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław","Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides","Acta Crystallographica Section C","2020","76","5","468","475","10.1107/S2053229620005525","","x-ray","0.71073","MoKα","","0.027","0.0245","","","0.0593","0.0599","","","","","","1.072","","","","has coordinates,has Fobs","252947","2020-10-21","18:00:00",""
"2022140","3.8224","0.0002","19.5339","0.0007","16.536","0.0006","90","","91.604","0.004","90","","1234.2","0.09","100.01","0.1","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Oroxylin A","5,7-Dihydroxy-6-methoxy-2-phenyl-4<i>H</i>-chromen-4-one","","- C16 H12 O5 -","- C16 H12 O5 -","- C64 H48 O20 -","4","1","WP3006","De Grano, Ruel Valerio Robles; Vashchenko, Elena V.; Nisar, Madiha; Sung, Herman H.-Y.; Vashchenko, Valerii V.; Williams, Ian D.","Crystal structures of the flavonoid Oroxylin A and the regioisomers Negletein and Wogonin","Acta Crystallographica Section C","2020","76","5","490","499","10.1107/S2053229620005550","","x-ray","1.54184","CuKα","","0.0564","0.0438","","","0.1075","0.113","","","","","","1.042","","","","has coordinates,has Fobs","252948","2020-10-21","18:00:00",""
"2022141","9.78509","0.00013","15.8032","0.0002","8.33104","0.00011","90","","91.3453","0.0011","90","","1287.92","0.03","100.01","0.1","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Negletein","5,6-Dihydroxy-7-methoxy-2-phenyl-4<i>H</i>-chromen-4-one","","- C16 H12 O5 -","- C16 H12 O5 -","- C64 H48 O20 -","4","1","WP3006","De Grano, Ruel Valerio Robles; Vashchenko, Elena V.; Nisar, Madiha; Sung, Herman H.-Y.; Vashchenko, Valerii V.; Williams, Ian D.","Crystal structures of the flavonoid Oroxylin A and the regioisomers Negletein and Wogonin","Acta Crystallographica Section C","2020","76","5","490","499","10.1107/S2053229620005550","","x-ray","1.54184","CuKα","","0.0346","0.0301","","","0.0756","0.0785","","","","","","1.002","","","","has coordinates,has Fobs","252948","2020-10-21","18:00:00",""
"2022142","4.64835","0.00006","16.4123","0.0002","18.329","0.0003","90","","90","","90","","1398.32","0.03","100.01","0.1","100.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Wogonin Monohydrate","5,7-Dihydroxy-8-methoxy-2-phenyl-4<i>H</i>-chromen-4-one monohydrate","","- C16 H14 O6 -","- C16 H14 O6 -","- C64 H56 O24 -","4","1","WP3006","De Grano, Ruel Valerio Robles; Vashchenko, Elena V.; Nisar, Madiha; Sung, Herman H.-Y.; Vashchenko, Valerii V.; Williams, Ian D.","Crystal structures of the flavonoid Oroxylin A and the regioisomers Negletein and Wogonin","Acta Crystallographica Section C","2020","76","5","490","499","10.1107/S2053229620005550","","x-ray","1.54184","CuKα","","0.0226","0.022","","","0.0589","0.0593","","","","","","1.032","","","","has coordinates,has Fobs","252948","2020-10-21","18:00:00",""
"2022143","4.39382","0.00009","18.7848","0.0003","16.8308","0.0003","90","","96.5918","0.0019","90","","1379.98","0.04","100.01","0.1","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,7-Dihydroxy-8-methoxy-2-phenyl-4<i>H</i>-chromen-4-one 1.25-hydrate","","- C16 H14.5 O6.25 -","- C16 H14.5 O6.25 -","- C64 H58 O25 -","4","1","WP3006","De Grano, Ruel Valerio Robles; Vashchenko, Elena V.; Nisar, Madiha; Sung, Herman H.-Y.; Vashchenko, Valerii V.; Williams, Ian D.","Crystal structures of the flavonoid Oroxylin A and the regioisomers Negletein and Wogonin","Acta Crystallographica Section C","2020","76","5","490","499","10.1107/S2053229620005550","","","1.54184","CuKα","","0.048","0.0439","","","0.1098","0.1134","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","252948","2020-10-21","18:00:00",""
"2022144","11.6814","0.0005","6.431","0.0003","16.0589","0.0008","90","","100.687","0.002","90","","1185.47","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Phenylisochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-one","","- C15 H9 N3 O2 -","- C15 H9 N3 O2 -","- C60 H36 N12 O8 -","4","1","SK3747","Vicentes, Daniel E.; Romero, Andrea L.; Rodríguez, Ricuarte; Cobo, Justo; Glidewell, Christopher","Conversion of 3-amino-4-arylamino-1<i>H</i>-isochromen-1-ones to 1-arylisochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative","Acta Crystallographica Section C","2020","76","5","446","453","10.1107/S2053229620003757","","","0.71073","MoKα","","0.0419","0.0358","","","0.0962","0.1026","","","","","","1.041","","","","has coordinates,has Fobs","252949","2020-10-21","18:00:00",""
"2022145","7.5676","0.0005","20.2663","0.0014","9.2503","0.0007","90","","112.957","0.003","90","","1306.33","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(2-Methylphenyl)isochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-one","","- C16 H11 N3 O2 -","- C16 H11 N3 O2 -","- C64 H44 N12 O8 -","4","1","SK3747","Vicentes, Daniel E.; Romero, Andrea L.; Rodríguez, Ricuarte; Cobo, Justo; Glidewell, Christopher","Conversion of 3-amino-4-arylamino-1<i>H</i>-isochromen-1-ones to 1-arylisochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative","Acta Crystallographica Section C","2020","76","5","446","453","10.1107/S2053229620003757","","","0.71073","MoKα","","0.041","0.0361","","","0.0927","0.098","","","","","","1.048","","","","has coordinates,has Fobs","252949","2020-10-21","18:00:00",""
"2022146","11.0993","0.0008","12.8996","0.0009","9.2234","0.0006","90","","106.675","0.002","90","","1265.04","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3-Chlorophenyl)isochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-one","","- C15 H8 Cl N3 O2 -","- C15 H8 Cl N3 O2 -","- C60 H32 Cl4 N12 O8 -","4","1","SK3747","Vicentes, Daniel E.; Romero, Andrea L.; Rodríguez, Ricuarte; Cobo, Justo; Glidewell, Christopher","Conversion of 3-amino-4-arylamino-1<i>H</i>-isochromen-1-ones to 1-arylisochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative","Acta Crystallographica Section C","2020","76","5","446","453","10.1107/S2053229620003757","","","0.71073","MoKα","","0.0414","0.0324","","","0.081","0.089","","","","","","1.077","","","","has coordinates,has Fobs","252949","2020-10-21","18:00:00",""
"2022147","16.7331","0.0012","5.9676","0.0004","13.681","0.001","90","","112.82","0.003","90","","1259.21","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-Chlorophenyl)isochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-one","","- C15 H8 Cl N3 O2 -","- C15 H8 Cl N3 O2 -","- C60 H32 Cl4 N12 O8 -","4","1","SK3747","Vicentes, Daniel E.; Romero, Andrea L.; Rodríguez, Ricuarte; Cobo, Justo; Glidewell, Christopher","Conversion of 3-amino-4-arylamino-1<i>H</i>-isochromen-1-ones to 1-arylisochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative","Acta Crystallographica Section C","2020","76","5","446","453","10.1107/S2053229620003757","","","0.71073","MoKα","","0.0469","0.0343","","","0.0772","0.0871","","","","","","1.121","","","","has coordinates,has Fobs","252949","2020-10-21","18:00:00",""
"2022148","11.1518","0.0005","9.3143","0.0004","14.2417","0.0006","90","","98.655","0.002","90","","1462.46","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-[4-hydroxy-1-(2-methylphenyl)-1<i>H</i>-1,2,3-triazol-5-yl]benzoate","","- C17 H15 N3 O3 -","- C17 H15 N3 O3 -","- C68 H60 N12 O12 -","4","1","SK3747","Vicentes, Daniel E.; Romero, Andrea L.; Rodríguez, Ricuarte; Cobo, Justo; Glidewell, Christopher","Conversion of 3-amino-4-arylamino-1<i>H</i>-isochromen-1-ones to 1-arylisochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative","Acta Crystallographica Section C","2020","76","5","446","453","10.1107/S2053229620003757","","","0.71073","MoKα","","0.0453","0.0415","","","0.0955","0.0976","","","","","","1.067","","","","has coordinates,has Fobs","252949","2020-10-21","18:00:00",""
"2022149","18.7572","0.0014","13.2095","0.001","16.75","0.002","90","","105.374","0.005","90","","4001.7","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Benzyl-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]indolin-2-one","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C192 H168 N8 O32 -","8","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0756","0.0465","","","0.0977","0.1098","","","","","","1.018","","","","has coordinates,has Fobs","252950","2020-10-21","18:00:00",""
"2022150","9.1028","0.0008","10.6434","0.0009","11.2539","0.001","88.988","0.003","68.422","0.003","81.352","0.003","1001.55","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-Benzyl-3-{2-[4-(dimethylamino)phenyl]-2-oxoethyl}-3-hydroxyindolin-2-one","","- C25 H24 N2 O3 -","- C25 H24 N2 O3 -","- C50 H48 N4 O6 -","2","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0448","0.0376","","","0.0903","0.0983","","","","","","1.052","","","","has coordinates,has Fobs","252950","2020-10-21","18:00:00",""
"2022151","7.8838","0.0005","10.1766","0.0008","11.8719","0.0009","87.554","0.003","75.996","0.002","69.428","0.002","864.3","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-Benzyl-3-hydroxy-3-[2-oxo-2-(pyridin-4-yl)ethyl]indolin-2-one","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C44 H36 N4 O6 -","2","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0466","0.0383","","","0.0921","0.1012","","","","","","1.074","","","","has coordinates,has Fobs","252950","2020-10-21","18:00:00",""
"2022152","11.8136","0.0007","12.4987","0.001","13.5976","0.0011","93.084","0.003","101.883","0.002","95.055","0.002","1951.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-[2-(Benzo[<i>d</i>][1,3]dioxol-5-yl)-2-oxoethyl]-1-benzyl-3-hydroxyindolin-2-one","","- C24 H19 N O5 -","- C24 H19 N O5 -","- C96 H76 N4 O20 -","4","2","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0518","0.0393","","","0.0929","0.106","","","","","","1.084","","","","has coordinates,has Fobs","252950","2020-10-21","18:00:00",""
"2022153","7.6021","0.0006","20.488","0.0013","10.9319","0.0007","90","","96.986","0.003","90","","1690","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-Benzyl-3-[2-(4-fluorophenyl)-2-oxoethylidene]indolin-2-one","","- C23 H16 F N O2 -","- C23 H16 F N O2 -","- C92 H64 F4 N4 O8 -","4","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0875","0.0581","","","0.1222","0.134","","","","","","1.047","","","","has coordinates,has Fobs","252950","2020-10-21","18:00:00",""
"2022154","4.9743","0.0002","29.1957","0.0013","12.4406","0.0006","90","","100.914","0.002","90","","1774.05","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-Benzyl-3-[2-(4-methoxyphenyl)-2-oxoethylidene]indolin-2-one","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C96 H76 N4 O12 -","4","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0443","0.0374","","","0.09","0.0952","","","","","","1.055","","","","has coordinates,has Fobs","252950","2020-10-21","18:00:00",""
"2022155","7.3457","0.0006","18.0675","0.0016","13.1813","0.0013","90","","105.994","0.003","90","","1681.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-Benzyl-3-[2-oxo-2-(pyridin-4-yl)ethylidene]indolin-2-one","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0679","0.0438","","","0.1019","0.1214","","","","","","1.094","","","","has coordinates,has Fobs","252950","2020-10-21","18:00:00",""
"2022156","17.5058","0.0014","8.8163","0.0006","21.2092","0.0016","90","","90","","90","","3273.4","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-Benzyl-3-[2-oxo-2-(thiophen-2-yl)ethylidene]indolin-2-one","","- C21 H15 N O2 S -","- C21 H15 N O2 S -","- C168 H120 N8 O16 S8 -","8","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0546","0.0378","","","0.0818","0.092","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","252950","2020-10-21","18:00:00",""
"2022157","8.201","0.0006","9.7629","0.0007","12.174","0.0009","76.755","0.003","87.675","0.003","76.211","0.003","921.34","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-1-Benzyl-5-chloro-3-[2-(4-chlorophenyl)-2-oxoethylidene]indolin-2-one","","- C23 H15 Cl2 N O2 -","- C23 H15 Cl2 N O2 -","- C46 H30 Cl4 N2 O4 -","2","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0432","0.0321","","","0.0727","0.0817","","","","","","1.108","","","","has coordinates,has Fobs","252950","2020-10-21","18:00:00",""
"2022158","9.794","0.0003","9.794","0.0003","19.8673","0.0008","90","","90","","120","","1650.4","0.1","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","Bis(8-methoxyquinoline-κ^2^<i>N</i>,<i>O</i>)bis(thiocyanato-κ<i>N</i>)copper(II)","","- C22 H18 Cu N4 O2 S2 -","- C22 H18 Cu N4 O2 S2 -","- C66 H54 Cu3 N12 O6 S6 -","3","0.5","LF3115","Deng, Qian-Jun; Chen, Min; Chen, Dong-Chu; Long, Hang-Yu; Chen, Chang-Ai","Tracking the dissolution‒recrystallization structural transformation (DRST) of copper(II) complexes: a combined crystallographic, mass spectrometric and DFT study","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620006701","","x-ray","0.71073","MoKα","","0.0645","0.054","","","0.1408","0.1487","","","","","","1.113","","","","has coordinates","252976","2020-10-21","18:00:00",""
"2022159","7.505","0.0011","7.9967","0.0007","11.9102","0.0019","76.112","0.01","71.827","0.014","82.057","0.009","657.73","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-methanolato-κ^4^<i>O</i>:<i>O</i>-bis[(8-methoxyquinoline-κ^2^<i>N</i>,<i>O</i>)(thiocyanato-κ<i>N</i>)copper(II)]","","- C24 H24 Cu2 N4 O4 S2 -","- C24 H24 Cu2 N4 O4 S2 -","- C24 H24 Cu2 N4 O4 S2 -","1","0.5","LF3115","Deng, Qian-Jun; Chen, Min; Chen, Dong-Chu; Long, Hang-Yu; Chen, Chang-Ai","Tracking the dissolution‒recrystallization structural transformation (DRST) of copper(II) complexes: a combined crystallographic, mass spectrometric and DFT study","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620006701","","","0.71073","MoKα","","0.1272","0.0836","","","0.2439","0.2719","","","","","","1.129","","","","has coordinates","252976","2020-10-21","18:00:00",""
"2022160","9.4554","0.0007","9.901","0.0008","10.3668","0.0008","90","","97.567","0.001","90","","962.07","0.13","99.96","","99.96","","","","","","","","","6","P 1 21 1","P 2yb","4","","(<i>L</i>-Prolinato-κ^2^<i>N</i>,<i>O</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) diiodide monohydrate","","- C11 H28 Co I2 N5 O3 -","- C11 H28 Co I2 N5 O3 -","- C22 H56 Co2 I4 N10 O6 -","2","1","DG3007","Arderne, Charmaine; Batchelor, Kyle Fraser; Uprety, Bhawna; Chandran, Rahul; Abrahamse, Heidi","Reactivity trends of cobalt(III) complexes towards various amino acids based on the properties of the amino acid alkyl chains","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620007123","","","0.71073","MoKα","","0.023","0.0224","","","0.0527","0.053","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","252977","2020-10-21","18:00:00",""
"2022161","13.6098","0.0014","11.1177","0.0011","13.6429","0.0014","90","","118.651","0.002","90","","1811.5","0.3","100","2","100.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>L</i>-Asparaginato-κ^2^<i>N</i>,<i>O</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) chloride perchlorate","","- C11 H24 Cl2 Co N5 O6 -","- C11 H24 Cl2 Co N5 O6 -","- C44 H96 Cl8 Co4 N20 O24 -","4","1","","Arderne, Charmaine; Batchelor, Kyle Fraser; Uprety, Bhawna; Chandran, Rahul; Abrahamse, Heidi","Reactivity trends of cobalt(III) complexes towards various amino acids based on the properties of the amino acid alkyl chains","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620007123","","","0.71073","MoKα","","0.0435","0.037","","","0.0953","0.0987","","","","","","1.06","","","","has coordinates,has Fobs","252977","2020-10-21","18:00:00",""
"2022162","11.5455","0.0006","11.8865","0.0006","25.3868","0.0012","90","","90","","90","","3484","0.3","173","2","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>L</i>-Prolinato-κ^2^<i>N</i>,<i>O</i>)(triethylenetetramine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')cobalt(III) chloride perchlorate","","- C10 H25 Cl2 Co N6 O7 -","- C10 H25 Cl2 Co N6 O7 -","- C80 H200 Cl16 Co8 N48 O56 -","8","1","","Arderne, Charmaine; Batchelor, Kyle Fraser; Uprety, Bhawna; Chandran, Rahul; Abrahamse, Heidi","Reactivity trends of cobalt(III) complexes towards various amino acids based on the properties of the amino acid alkyl chains","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620007123","","","0.71073","MoKα","","0.0949","0.0492","","","0.0768","0.0872","","","","","","1.028","","","","has coordinates,has Fobs","252977","2020-10-21","18:00:00",""
"2022163","9.4078","0.0007","9.2511","0.0007","11.6953","0.0008","90","","105.722","0.008","90","","979.79","0.13","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5,8,11,14,17-Hexathia-[9.9](2,6,3,5)-pyrazinophane","","- C16 H24 N2 S6 -","- C16 H24 N2 S6 -","- C32 H48 N4 S12 -","2","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","The crystal structures, Hirshfeld surface analyses and energy frameworks of two hexathiapyrazinophane regioisomers; 2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane and 2,5,8,11,14,17-hexathia-[9.9](2,5,3,6)-pyrazinophane","Acta Crystallographica Section E Crystallographic Communications","2020","76","7","977","","10.1107/S2056989020007057","","","0.71073","MoKα","","0.053","0.0424","","","0.1046","0.1084","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","252983","2020-10-21","18:00:00",""
"2022164","12.2613","0.0008","9.9564","0.0006","16.2828","0.0012","90","","90","","90","","1987.8","0.2","223","2","223","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,5,8,11,14,17-Hexathia-[9.9](2,5,3,6)-pyrazinophane","","- C16 H24 N2 S6 -","- C16 H24 N2 S6 -","- C64 H96 N8 S24 -","4","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","The crystal structures, Hirshfeld surface analyses and energy frameworks of two hexathiapyrazinophane regioisomers; 2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane and 2,5,8,11,14,17-hexathia-[9.9](2,5,3,6)-pyrazinophane","Acta Crystallographica Section E Crystallographic Communications","2020","76","7","977","","10.1107/S2056989020007057","","","0.71073","MoKα","","0.0347","0.0245","","","0.0613","0.0635","","","","","","0.971","","","","has coordinates,has Fobs","252983","2020-10-21","18:00:00",""
"2022165","9.5189","0.0004","14.245","0.0005","23.4079","0.0009","90","","95.92","0.003","90","","3157.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Mn(3+)Cl(tetra-3-pyridinyl-21H,23H-Porphine(2-))]","<i>catena</i>-Poly[[chloridomanganese(III)]-μ~2~-5,10,15,20-tetrakis(pyridin-3-yl)-21<i>H</i>,23<i>H</i>-porphinato(2-)-κ^5^<i>N</i>^21^,<i>N</i>^22^,<i>N</i>^23^,<i>N</i>^24^:<i>N</i>^5^]","","- C40 H24 Cl Mn N8 -","- C40 H24 Cl Mn N8 -","- C160 H96 Cl4 Mn4 N32 -","4","1","OC3002","Wen-Tong Chen","A one-dimensional manganese(III)‒porphyrin coordination polymer: crystal structure and photophysical properties","Acta Crystallographica, Section C","2020","76","5","375","380","10.1107/S2053229620004350","","","0.71073","MoKα","","0.0465","0.037","","","0.0915","0.098","","","","","","1.047","","","","has coordinates,has Fobs","253313","2020-10-21","18:00:00",""
"2022166","12.211","0.0013","8.1447","0.0009","17.6634","0.0019","90","","109.43","0.002","90","","1656.7","0.3","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","17-Ethyl-1-hydroxymethyl-17-azapentacyclo[6.6.5.0^2,7^.0^9,14^.0^15,19^]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","QF3039","Hillman, Zachary E.; Tanski, Joseph M.; Roberts, Andrea","Crystal and geometry-optimized structure of an anthracene-based Diels‒Alder adduct","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008128","","","0.71073","MoKα","","0.045","0.0386","","","0.1043","0.1098","","","","","","1.022","","","","has coordinates,has Fobs","253509","2020-10-21","18:00:00",""
"2022167","7.2657","0.0001","14.4917","0.0002","24.6836","0.0003","90","","90.042","0.001","90","","2598.99","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>R</i>,<i>S</i>)-2-Amino-<i>N</i>-[2-(2,3-dimethylphenoxy)ethyl]propan-1-ol","","- C13 H21 N O2 -","- C13 H21 N O2 -","- C104 H168 N8 O16 -","8","2","KY3196","Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa","The conformational analyses of 2-amino-<i>N</i>-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008244","","x-ray","1.54184","CuKα","","0.0558","0.0528","","","0.1503","0.1526","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","253532","2020-10-21","18:00:00",""
"2022168","6.5225","0.0001","12.7734","0.0002","12.8431","0.0002","118.954","0.001","91.292","0.001","101.139","0.001","910.2","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(<i>R</i>,<i>S</i>)-<i>N</i>-[2-(2,3-Dimethylphenoxy)ethyl]-1-hydroxypropan-2-aminium pyridine-2-carboxylate","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C38 H52 N4 O8 -","2","1","KY3196","Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa","The conformational analyses of 2-amino-<i>N</i>-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008244","","x-ray","1.54184","CuKα","","0.0387","0.035","","","0.0913","0.0942","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","253532","2020-10-21","18:00:00",""
"2022169","7.0226","0.0001","7.9585","0.0001","12.5188","0.0001","90","","103.645","0.001","90","","679.92","0.014","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>S</i>)-<i>N</i>-[2-(2,6-Dimethylphenoxy)ethyl]-1-hydroxypropan-2-aminium chloride","","- C13 H22 Cl N O2 -","- C13 H22 Cl N O2 -","- C26 H44 Cl2 N2 O4 -","2","1","KY3196","Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa","The conformational analyses of 2-amino-<i>N</i>-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008244","","x-ray","1.54184","CuKα","","0.0222","0.0218","","","0.0577","0.0578","","","","","","1.068","","","","has coordinates,has Fobs","253532","2020-10-21","18:00:00",""
"2022170","10.9828","0.0001","10.9828","0.0001","31.824","0.0004","90","","90","","90","","3838.67","0.07","130","2","130","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","(<i>R</i>,<i>S</i>)-<i>N</i>-[2-(2,6-Dimethylphenoxy)ethyl]-1-hydroxypropan-2-aminium pyridine-2-carboxylate","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C152 H208 N16 O32 -","8","1","KY3196","Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa","The conformational analyses of 2-amino-<i>N</i>-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008244","","x-ray","1.54184","CuKα","","0.0341","0.0308","","","0.0781","0.0809","","","","","","1.061","","","","has coordinates,has Fobs","253532","2020-10-21","18:00:00",""
"2022171","11.8973","0.0004","8.836","0.0003","21.8286","0.0007","90","","103.454","0.0013","90","","2231.75","0.13","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib dimethylformamide monosolvate","4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide dimethylformamide monosolvate","","- C20 H21 F3 N4 O3 S -","- C20 H21 F3 N4 O3 S -","- C80 H84 F12 N16 O12 S4 -","4","1","SK3751","Bond, Andrew D.; Sun, Changquan C.","Intermolecular interactions and disorder in six isostructural celecoxib solvates","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008359","","","1.54178","CuKα","","0.0643","0.0563","","","0.1417","0.149","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","253533","2020-10-21","18:00:00",""
"2022172","11.9584","0.0003","9.2028","0.0002","21.2811","0.0006","90","","103.383","0.0012","90","","2278.41","0.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib dimethylacetamide monosolvate","4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide dimethylacetamide monosolvate","","- C21 H23 F3 N4 O3 S -","- C21 H23 F3 N4 O3 S -","- C84 H92 F12 N16 O12 S4 -","4","1","SK3751","Bond, Andrew D.; Sun, Changquan C.","Intermolecular interactions and disorder in six isostructural celecoxib solvates","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008359","","","1.54178","CuKα","","0.0554","0.0465","","","0.121","0.1289","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","253533","2020-10-21","18:00:00",""
"2022173","11.9978","0.0004","9.0896","0.0003","21.9732","0.0008","90","","101.358","0.002","90","","2349.36","0.14","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib <i>N</i>-methyl-2-pyrrolidone monosolvate","4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide <i>N</i>-methylpyrrolidin-2-one monosolvate","","- C22 H23 F3 N4 O3 S -","- C22 H23 F3 N4 O3 S -","- C88 H92 F12 N16 O12 S4 -","4","1","SK3751","Bond, Andrew D.; Sun, Changquan C.","Intermolecular interactions and disorder in six isostructural celecoxib solvates","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008359","","","1.54178","CuKα","","0.0656","0.0475","","","0.1245","0.1361","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","253533","2020-10-21","18:00:00",""
"2022174","12.405","0.0003","8.9351","0.0002","22.5727","0.0006","90","","98.6702","0.0013","90","","2473.36","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib tetramethylurea monosolvate","4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide tetramethylurea monosolvate","","- C22 H26 F3 N5 O3 S -","- C22 H26 F3 N5 O3 S -","- C88 H104 F12 N20 O12 S4 -","4","1","SK3751","Bond, Andrew D.; Sun, Changquan C.","Intermolecular interactions and disorder in six isostructural celecoxib solvates","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008359","","","1.54178","CuKα","","0.0611","0.0458","","","0.1277","0.1416","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","253533","2020-10-21","18:00:00",""
"2022175","12.4495","0.0017","8.7822","0.0013","22.656","0.003","90","","97.861","0.005","90","","2453.8","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib 1,3-dimethyltetrahydropyrimidin-2(1H)-one monosolvate","4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide 1,3-dimethyltetrahydropyrimidin-2(1<i>H</i>)-one monosolvate","","- C23 H26 F3 N5 O3 S -","- C23 H26 F3 N5 O3 S -","- C92 H104 F12 N20 O12 S4 -","4","1","SK3751","Bond, Andrew D.; Sun, Changquan C.","Intermolecular interactions and disorder in six isostructural celecoxib solvates","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008359","","","1.54178","CuKα","","0.0469","0.0403","","","0.1119","0.1179","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","253533","2020-10-21","18:00:00",""
"2022176","11.9884","0.0003","9.023","0.0003","20.8537","0.0006","90","","100.391","0.0009","90","","2218.78","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib dimethyl sulfoxide monosolvate","4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide dimethyl sulfoxide monosolvate","","- C19 H20 F3 N3 O3 S2 -","- C19 H20 F3 N3 O3 S2 -","- C76 H80 F12 N12 O12 S8 -","4","1","SK3751","Bond, Andrew D.; Sun, Changquan C.","Intermolecular interactions and disorder in six isostructural celecoxib solvates","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008359","","","1.54178","CuKα","","0.0484","0.0442","","","0.1217","0.126","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","253533","2020-10-21","18:00:00",""
"2022177","11.2862","0.0003","29.3083","0.0008","19.6024","0.0006","90","","98.393","0.002","90","","6414.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Triethylazanium tetrakis(μ~2~-5-amino-1,2,3,4-tetrazolido)tetrakis(μ~3~-4-chloro-2-{[(1<i>H</i>-tetrazol-1-id-5-yl)imino]methyl}phenolato)di-μ~3~-oxido-pentairon(III) acetonitrile monosolvate monohydrate","","- C44 H45 Cl4 Fe5 N42 O7 -","- C44 H45 Cl4 Fe5 N42 O7 -","- C176 H180 Cl16 Fe20 N168 O28 -","4","1","YO3074","Deng, Qianjun; Wang, Jiming; Li, Guangzhao; Zhang, Shuhua","Synthesis, structure and magnetism of a new ionic pentanuclear iron cluster","Acta Crystallographica Section C","2020","76","7","","","10.1107/S205322962000861X","","","0.71073","MoKα","","0.0765","0.0536","","","0.148","0.1746","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","253553","2020-10-21","18:00:00",""
"2022178","7.1138","0.0004","12.6827","0.0006","15.1613","0.0008","90","","100.571","0.002","90","","1344.67","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-(2,6-Dichlorophenyl)-2-(2-nitrobenzylidene)hydrazine","","- C13 H9 Cl2 N3 O2 -","- C13 H9 Cl2 N3 O2 -","- C52 H36 Cl8 N12 O8 -","4","1","VM2235","Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Gurbanova, Nurana V.; Mammadova, Gunay Z.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of (E)-1-(2,6-dichlorophenyl)-2-(2-nitrobenzylidene)hydrazine","Acta Crystallographica Section E Crystallographic Communications","2020","76","8","1173","","10.1107/S2056989020008567","","","0.71073","MoKα","","0.0609","0.0517","","","0.1125","0.1182","","","","","","1.065","","","","has coordinates,has Fobs","253758","2020-10-21","18:00:00",""
"2022179","4.7581","0.0006","18.599","0.002","18.266","0.002","90","","92.409","0.005","90","","1615","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4,4'-(Ethene-1,2-diyl)bis[(<i>N</i>'<i>E</i>)-<i>N</i>'-(2-hydroxybenzylidene)benzohydrazide] dimethyl sulfoxide disolvate","","- C34 H36 N4 O6 S2 -","- C34 H36 N4 O6 S2 -","- C68 H72 N8 O12 S4 -","2","0.5","JX3056","Fang, Zong-Bin; Zhang, Bin; Yang, Qi-Zheng; Zheng, Wenxu; Hu, Xiao-Lin; Huang, Xi-He; Huang, Chang-Cang; Zhuang, Nai-Feng; Wu, Shu-Ting","Solvent-assisted planar structure of a stilbene-based salicylhydrazone compound: crystal structure, solvent- and aggregation-induced emission, and switchable luminescence colouration","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620008037","","","0.71073","MoKα","","0.1112","0.0512","","","0.1142","0.1507","","","","","","1.071","","","","has coordinates","254054","2020-10-21","18:00:00",""
"2022180","10.2487","0.0003","16.3033","0.0004","19.7539","0.0007","90","","100.42","0.003","90","","3246.2","0.17","100","2","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","(E)-3-benzylidene-2-phenylchroman-4-one","(<i>E</i>)-3-Benzylidene-2-phenylchroman-4-one","","- C22 H16 O2 -","- C22 H16 O2 -","- C176 H128 O16 -","8","1","YF3205","Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta","The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives","Acta Crystallographica Section C","2020","76","8","","","10.1107/S205322962000813X","","x-ray","0.71073","MoKα","","0.0701","0.0598","","","0.1464","0.1534","","","","","","1.02","","","","has coordinates,has Fobs","254055","2020-10-21","18:00:00",""
"2022181","16.6799","0.0005","7.9102","0.0002","13.1511","0.0003","90","","98.558","0.003","90","","1715.85","0.08","100","2","99.99","0.11","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(4-Methylbenzylidene)-2-phenylchroman-4-one","","- C23 H18 O2 -","- C23 H18 O2 -","- C92 H72 O8 -","4","1","YF3205","Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta","The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives","Acta Crystallographica Section C","2020","76","8","","","10.1107/S205322962000813X","","x-ray","0.71073","MoKα","","0.0497","0.0395","","","0.1007","0.1073","","","","","","1.05","","","","has coordinates,has Fobs","254055","2020-10-21","18:00:00",""
"2022182","8.9094","0.0003","9.6578","0.0003","10.9044","0.0004","104.378","0.003","109.425","0.003","91.902","0.003","850.24","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-3-(3-Methylbenzylidene)-2-phenylchroman-4-one","","- C23 H18 O2 -","- C23 H18 O2 -","- C46 H36 O4 -","2","1","YF3205","Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta","The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives","Acta Crystallographica Section C","2020","76","8","","","10.1107/S205322962000813X","","","0.71073","MoKα","","0.0451","0.0373","","","0.091","0.0977","","","","","","1.04","","","","has coordinates,has Fobs","254055","2020-10-21","18:00:00",""
"2022183","23.4111","0.0003","8.0027","0.0001","28.1094","0.0005","90","","97.156","0.001","90","","5225.33","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-(4-Methoxybenzylidene)-2-phenylchroman-4-one","","- C23 H18 O3 -","- C23 H18 O3 -","- C276 H216 O36 -","12","3","YF3205","Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta","The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives","Acta Crystallographica Section C","2020","76","8","","","10.1107/S205322962000813X","","","1.54184","CuKα","","0.0468","0.038","","","0.0967","0.1037","","","","","","1.011","","","","has coordinates,has Fobs","254055","2020-10-21","18:00:00",""
"2022184","7.7718","0.0003","8.6069","0.0003","9.0857","0.0003","89.744","0.003","84.862","0.003","74.199","0.003","582.31","0.04","100","2","100","0.1","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-3-Benzylidenechroman-4-one","","- C16 H12 O2 -","- C16 H12 O2 -","- C32 H24 O4 -","2","1","YF3205","Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta","The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives","Acta Crystallographica Section C","2020","76","8","","","10.1107/S205322962000813X","","x-ray","0.71073","MoKα","","0.0458","0.0402","","","0.109","0.1145","","","","","","1.058","","","","has coordinates,has Fobs","254055","2020-10-21","18:00:00",""
"2022185","7.557","0.0003","12.3558","0.0004","14.4044","0.0006","82.748","0.003","87.126","0.003","75.768","0.003","1293.01","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-3-(4-Methoxybenzylidene)chroman-4-one","","- C17 H14 O3 -","- C17 H14 O3 -","- C68 H56 O12 -","4","2","YF3205","Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta","The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives","Acta Crystallographica Section C","2020","76","8","","","10.1107/S205322962000813X","","x-ray","1.54184","CuKα","","0.0728","0.0698","","","0.1961","0.2","","","","","","1.087","","","","has coordinates,has Fobs","254055","2020-10-21","18:00:00",""
"2022186","18.5318","0.0009","5.9396","0.0003","17.4426","0.001","90","","95.528","0.004","90","","1911","0.17","173","2","173","2","","","","","","","synthesized","7","P 1 21/c 1","-P 2ybc","14","Pigment Red 48 monosodium salt dihydrate","Sodium 2-{2-[3-carboxy-2-oxo-1,2-dihydronaphthalen-1-ylidene]hydrazin-1-yl}-4-chloro-5-methylbenzenesulfonate dihydrate","","- C18 H16 Cl N2 Na O8 S -","- C18 H16 Cl N2 Na O8 S -","- C72 H64 Cl4 N8 Na4 O32 S4 -","4","1","","Tapmeyer, Lukas; Hill, Steven; Bolte, Michael; Hützler, Wilhelm Maximilian","Two monosodium salt hydrates of Colour Index Pigment Red 48","Acta Crystallographica Section C Structural Chemistry","2020","76","8","","","10.1107/S2053229620008530","","x-ray","0.71073","MoKα","","0.0648","0.0511","","","0.1166","0.1228","","","","","","1.134","","","","has coordinates,has Fobs","254056","2020-10-21","18:00:00",""
"2022187","18.2222","0.0002","5.9486","0.0001","16.9361","0.0002","90","","92.037","0.001","90","","1834.66","0.04","173","2","173","2","","","","","","","Synthesis","7","P 1 21/c 1","-P 2ybc","14","Pigment Red 48 monosodium salt monohydrate","Sodium 2-{2-[3-carboxy-2-oxo-1,2-dihydronaphthalen-1-ylidene]hydrazin-1-yl}-4-chloro-5-methylbenzenesulfonate monohydrate","","- C18 H14 Cl N2 Na O7 S -","- C18 H14 Cl N2 Na O7 S -","- C72 H56 Cl4 N8 Na4 O28 S4 -","4","1","","Tapmeyer, Lukas; Hill, Steven; Bolte, Michael; Hützler, Wilhelm Maximilian","Two monosodium salt hydrates of Colour Index Pigment Red 48","Acta Crystallographica Section C Structural Chemistry","2020","76","8","","","10.1107/S2053229620008530","","","1.54178","CuKα","","0.0569","0.0542","","","0.1413","0.1454","","","","","","1.093","","","","has coordinates,has Fobs","254056","2020-10-21","18:00:00",""
"2022188","13.368","0.005","11.262","0.005","9.266","0.004","90","","118.83","0.03","90","","1222.1","1","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","Magnesium carbonate chloride heptahydrate","","- C H14 Cl2 Mg2 O10 -","- C H14 Cl2 Mg2 O10 -","- C4 H56 Cl8 Mg8 O40 -","4","1","UK3196","Rincke, Christine; Schmidt, Horst; Buth, Gernot; Voigt, Wolfgang","Crystal structure and characterization of magnesium carbonate chloride heptahydrate","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620008153","","","0.8","synchrotron","","0.0748","0.0529","","","0.136","0.1605","","","","","","1.123","","","","has coordinates,has Fobs","254145","2020-10-21","18:00:00",""
"2022189","10.9515","0.0011","11.2204","0.0011","12.287","0.0012","103.223","0.004","100.928","0.004","100.379","0.004","1403.1","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[{μ~5~-3,3-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^}bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)cerium(III)]","","- C27 H25 Ce N2 O10 -","- C27 H25 Ce N2 O10 -","- C54 H50 Ce2 N4 O20 -","2","1","UK3197","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009547","","","0.71073","MoKα","","0.0518","0.0338","","","0.0654","0.0701","","","","","","1.002","","","","has coordinates,has Fobs","254468","2020-10-21","18:00:00",""
"2022190","10.9076","0.0014","11.1726","0.0013","12.3717","0.0016","102.985","0.003","101.259","0.003","100.483","0.003","1400.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[{μ~5~-3,3-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^}bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)praseodymium(III)]","","- C27 H25 N2 O10 Pr -","- C27 H25 N2 O10 Pr -","- C54 H50 N4 O20 Pr2 -","2","1","UK3197","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009547","","","0.71073","MoKα","","0.0884","0.0483","","","0.0732","0.0836","","","","","","1.033","","","","has coordinates,has Fobs","254468","2020-10-21","18:00:00",""
"2022191","10.8669","0.0014","11.1173","0.0014","12.4442","0.0015","102.564","0.003","101.643","0.003","100.661","0.003","1395.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[{μ~5~-3,3-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^}bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)neodymium(III)]","","- C27 H25 N2 Nd O10 -","- C27 H25 N2 Nd O10 -","- C54 H50 N4 Nd2 O20 -","2","1","UK3197","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009547","","","0.71073","MoKα","","0.0822","0.0465","","","0.0708","0.0798","","","","","","1.043","","","","has coordinates,has Fobs","254468","2020-10-21","18:00:00",""
"2022192","10.7827","0.0011","10.9479","0.0011","12.7964","0.0013","100.735","0.004","103.054","0.004","101.521","0.004","1398.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[{μ~5~-3,3-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^}bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)samarium(III)]","","- C27 H25 N2 O10 Sm -","- C27 H25 N2 O10 Sm -","- C54 H50 N4 O20 Sm2 -","2","1","UK3197","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009547","","","0.71073","MoKα","","0.0431","0.0339","","","0.0698","0.0753","","","","","","1.182","","","","has coordinates,has disorder,has Fobs","254468","2020-10-21","18:00:00",""
"2022193","10.7597","0.0005","10.9088","0.0005","12.9291","0.0006","100.285","0.002","103.621","0.002","101.711","0.002","1402.73","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[{μ~5~-3,3-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^}bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)europium(III)]","","- C27 H25 Eu N2 O10 -","- C27 H25 Eu N2 O10 -","- C54 H50 Eu2 N4 O20 -","2","1","UK3197","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009547","","","0.71073","MoKα","","0.0304","0.0232","","","0.0482","0.0512","","","","","","1.066","","","","has coordinates,has Fobs","254468","2020-10-21","18:00:00",""
"2022194","10.722","0.002","10.87","0.002","12.949","0.003","100.12","0.03","103.89","0.03","101.79","0.03","1393.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[{μ~5~-3,3-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^}bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)gadolinium(III)]","","- C27 H25 Gd N2 O10 -","- C27 H25 Gd N2 O10 -","- C54 H50 Gd2 N4 O20 -","2","1","UK3197","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009547","","","0.71073","MoKα","","0.0513","0.0366","","","0.0694","0.0749","","","","","","1.164","","","","has coordinates,has Fobs","254468","2020-10-21","18:00:00",""
"2022195","15.8623","0.0004","20.7547","0.0006","21.8096","0.0006","90","","107.576","0.002","90","","6844.9","0.3","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","Tetrakis(caffeinium) μ~12~-silicato-tetracosa-μ~2~-oxido-dodecaoxidododecatungsten trihydrate","Tetrakis(1,3,7-trimethylxanthinium) μ~12~-silicato-tetracosa-μ~2~-oxido-dodecaoxidododecatungsten trihydrate","","- C32 H50 N16 O51 Si W12 -","- C32 H50 N16 O51 Si W12 -","- C128 H200 N64 O204 Si4 W48 -","4","1","JX3058","Panteleieva, Olha S.; Ponomarova, Vira V.; Shtemenko, Alexander V.; Domasevitch, Kostiantyn V.","Supramolecular networks supported by the anion···π linkage of Keggin-type heteropolyoxotungstates","Acta Crystallographica Section C","2020","76","8","","","10.1107/S205322962000950X","","","0.71073","MoKα","","0.0535","0.0478","","","0.1305","0.1336","","","","","","1.076","","","","has coordinates,has Fobs","254469","2020-10-21","18:00:00",""
"2022196","10.8071","0.0004","23.4412","0.0013","23.6644","0.001","90","","90.72","0.003","90","","5994.5","0.5","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tris(theobrominium) μ~12~-phosphato-tetracosa-μ~2~-oxido-dodecaoxidododecatungsten ethanol sesquisolvate","Tris(3,7-dimethylxanthinium) μ~12~-phosphato-tetracosa-μ~2~-oxido-dodecaoxidododecatungsten ethanol sesquisolvate","","- C24 H36 N12 O47.5 P W12 -","- C24 H36 N12 O47.5 P W12 -","- C96 H144 N48 O190 P4 W48 -","4","1","JX3058","Panteleieva, Olha S.; Ponomarova, Vira V.; Shtemenko, Alexander V.; Domasevitch, Kostiantyn V.","Supramolecular networks supported by the anion···π linkage of Keggin-type heteropolyoxotungstates","Acta Crystallographica Section C","2020","76","8","","","10.1107/S205322962000950X","","","0.71073","MoKα","","0.0921","0.0507","","","0.1093","0.1234","","","","","","0.927","","","","has coordinates,has Fobs","254469","2020-10-21","18:00:00",""
"2022197","14.1669","0.0005","10.7145","0.0003","17.135","0.0005","90","","98.654","0.001","90","","2571.33","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(3<i>RS</i>,1'<i>SR</i>,2'<i>SR</i>,7a'<i>SR</i>)-2'-(4-Chlorophenyl)-1-hexyl-2''-sulfanylidene-5',6',7',7a'-tetrahydro-2'<i>H</i>-dispiro[indoline-3,3'-pyrrolizine-1',5''-thiazolidine]-2,4''-dione","","- C28 H30 Cl N3 O2 S2 -","- C28 H30 Cl N3 O2 S2 -","- C112 H120 Cl4 N12 O8 S8 -","4","1","KY3198","Romo, Pablo; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","Regio- and stereospecific assembly of dispiro[indoline-3,3'-pyrrolizine-1',5''-thiazolidines] from simple precursors using a one-pot procedure: synthesis, spectroscopic and structural characterization, and a proposed mechanism of formation","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009791","","","0.71073","MoKα","","0.0386","0.0316","","","0.0709","0.0746","","","","","","1.028","","","","has coordinates,has Fobs","254507","2020-10-21","18:00:00",""
"2022198","8.2419","0.0002","28.0429","0.0006","11.5843","0.0003","90","","90","","90","","2677.44","0.11","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(3<i>RS</i>,1'<i>SR</i>,2'<i>SR</i>,7a'<i>SR</i>)-2'-(4-Chlorophenyl)-1-\ benzyl-5-methyl-2''-sulfanylidene-5',6',7',7a'-tetrahydro-2'<i>H</i>-\ dispiro[indoline-3,3'-pyrrolizine-1',5''-thiazolidine]-2,4''-dione","","- C30 H26 Cl N3 O2 S2 -","- C30 H26 Cl N3 O2 S2 -","- C120 H104 Cl4 N12 O8 S8 -","4","1","KY3198","Romo, Pablo; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","Regio- and stereospecific assembly of dispiro[indoline-3,3'-pyrrolizine-1',5''-thiazolidines] from simple precursors using a one-pot procedure: synthesis, spectroscopic and structural characterization, and a proposed mechanism of formation","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009791","","","0.71073","MoKα","","0.0269","0.0259","","","0.0636","0.0643","","","","","","1.048","","","","has coordinates,has Fobs","254507","2020-10-21","18:00:00",""
"2022199","10.3179","0.0007","10.3179","0.0007","10.3179","0.0007","90","","90","","90","","1098.43","0.13","296","2","296","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Dipotassium gadolinium hafnium tris(phosphate)","","- Gd Hf K2 O12 P3 -","- Gd Hf K2 O12 P3 -","- Gd4 Hf4 K8 O48 P12 -","4","0.333333","KY3197","Nan, Hua; Chen, Li; Zhang, Rui-Juan; Zhao, Dan","A new langbeinite-type phosphate K~2~GdHf(PO~4~)~3~: synthesis, crystal structure, band structure and luminescence properties","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009857","","","0.71073","MoKα","","0.0196","0.018","","","0.03","0.0305","","","","","","1.078","","","","has coordinates,has Fobs","254508","2020-10-21","18:00:00",""
"2022200","9.1209","0.0017","9.6732","0.0019","11.958","0.002","104.763","0.017","100.147","0.015","103.858","0.017","958.4","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 5'-(4-methylbenzoyl)-5'<i>H</i>,7'<i>H</i>-spiro[cyclopentane-1,6'-[1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazine]-3'-carboxylate","","- C19 H22 N4 O3 S -","- C19 H22 N4 O3 S -","- C38 H44 N8 O6 S2 -","2","1","FM3064","Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna","The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009328","","","0.71073","MoKα","","0.0775","0.0417","","","0.0913","0.0949","","","","","","1.004","","","","has coordinates,has Fobs","254538","2020-10-21","18:00:00",""
"2022201","9.1304","0.0005","9.9986","0.0006","11.8551","0.0006","107.458","0.005","99.719","0.004","99.414","0.005","990.84","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 5'-(4-methoxybenzoyl)-5'<i>H</i>,7'<i>H</i>-spiro[cyclopentane-1,6'-[1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazine]-3'-carboxylate","","- C19 H22 N4 O4 S -","- C19 H22 N4 O4 S -","- C38 H44 N8 O8 S2 -","2","1","FM3064","Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna","The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009328","","","0.71073","MoKα","","0.0671","0.0462","","","0.1116","0.1259","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","254538","2020-10-21","18:00:00",""
"2022202","5.8289","0.0006","18.094","0.0018","9.0173","0.0008","90","","95.799","0.008","90","","946.17","0.16","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 5'-benzoyl-5'<i>H</i>,7'<i>H</i>-spiro[cyclohexane-1,6'-[1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazine]-3'-carboxylate","","- C19 H22 N4 O3 S -","- C19 H22 N4 O3 S -","- C38 H44 N8 O6 S2 -","2","1","FM3064","Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna","The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009328","","","0.71073","MoKα","","0.0629","0.0348","","","0.053","0.0548","","","","","","1.006","","","","has coordinates,has Fobs","254538","2020-10-21","18:00:00",""
"2022203","28.5394","0.0014","8.0288","0.0003","9.1435","0.0004","90","","90","","90","","2095.12","0.16","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Ethyl 5'-(4-methoxybenzoyl)-5'<i>H</i>,7'<i>H</i>-spiro[cyclohexane-1,6'-[1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazine]-3'-carboxylate","","- C20 H24 N4 O4 S -","- C20 H24 N4 O4 S -","- C80 H96 N16 O16 S4 -","4","1","FM3064","Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna","The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009328","","","0.71073","MoKα","","0.05","0.0396","","","0.1032","0.1115","","","","","","1.001","","","","has coordinates,has Fobs","254538","2020-10-21","18:00:00",""
"2022204","8.0154","0.0003","14.2211","0.0011","15.9349","0.0007","90","","102.337","0.004","90","","1774.44","0.17","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 6,6-dimethyl-5-(4-methylbenzoyl)-6,7-dihydro-5<i>H</i>-[1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazine-3-carboxylate","","- C17 H20 N4 O3 S -","- C17 H20 N4 O3 S -","- C68 H80 N16 O12 S4 -","4","1","FM3064","Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna","The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009328","","","0.71073","MoKα","","0.0788","0.0452","","","0.098","0.1127","","","","","","1.014","","","","has coordinates,has Fobs","254538","2020-10-21","18:00:00",""
"2022205","25.4485","0.0008","8.9445","0.0003","19.0694","0.0007","90","","110.315","0.004","90","","4070.7","0.3","120","0.1","120","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl 6-methyl-5-(4-methylbenzoyl)-6-phenyl-6,7-dihydro-5<i>H</i>-[1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazine-3-carboxylate","","- C22 H22 N4 O3 S -","- C22 H22 N4 O3 S -","- C176 H176 N32 O24 S8 -","8","1","FM3064","Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna","The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009328","","","0.71073","MoKα","","0.0443","0.035","","","0.088","0.0942","","","","","","1.02","","","","has coordinates,has Fobs","254538","2020-10-21","18:00:00",""
"2022206","9.2791","0.0005","11.1445","0.0008","11.4872","0.0007","65.567","0.007","73.829","0.005","73.034","0.006","1017.32","0.13","295","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 5-benzoyl-6-(4-methoxyphenyl)-6,7-dihydro-5<i>H</i>-[1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazine-3-carboxylate","","- C21 H20 N4 O4 S -","- C21 H20 N4 O4 S -","- C42 H40 N8 O8 S2 -","2","1","FM3064","Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna","The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009328","","","0.71073","MoKα","","0.0831","0.049","","","0.1127","0.1336","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","254538","2020-10-21","18:00:00",""
"2022207","16.0881","0.0015","7.1958","0.0008","23.177","0.003","90","","108.838","0.004","90","","2539.4","0.5","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C13 H13 F N2 O3 -","- C13 H13 F N2 O3 -","- C104 H104 F8 N16 O24 -","8","1","CU3165","Cleetus, Annie; Rani, Gulshan; Dharma Rao, G. B.; Chopra, Deepak","Crystal structures of the anhydrous and two solvated forms of methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009560","","","0.71073","MoKα","","0.0759","0.0463","","","0.103","0.1145","","","","","","1.021","","","","has coordinates,has Fobs","254539","2020-10-21","18:00:00",""
"2022208","16.207","0.0007","9.1642","0.0004","17.963","0.0007","90","","91.607","0.002","90","","2666.89","0.19","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate carbon tetrachloride 0.25-solvate","","- C53 H52 Cl4 F4 N8 O12 -","- C53 H52 Cl4 F4 N8 O12 -","- C106 H104 Cl8 F8 N16 O24 -","2","0.5","CU3165","Cleetus, Annie; Rani, Gulshan; Dharma Rao, G. B.; Chopra, Deepak","Crystal structures of the anhydrous and two solvated forms of methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009560","","","0.71073","MoKα","","0.0853","0.0674","","","0.2031","0.2424","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","254539","2020-10-21","18:00:00",""
"2022209","7.3353","0.0002","8.9091","0.0002","12.5006","0.0004","82.389","0.002","79.38","0.002","65.898","0.002","731.44","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate ethyl acetate hemisolvate","","- C15 H17 F N2 O4 -","- C15 H17 F N2 O4 -","- C30 H34 F2 N4 O8 -","2","1","CU3165","Cleetus, Annie; Rani, Gulshan; Dharma Rao, G. B.; Chopra, Deepak","Crystal structures of the anhydrous and two solvated forms of methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009560","","","0.71073","MoKα","","0.0716","0.0526","","","0.1282","0.1413","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","254539","2020-10-21","18:00:00",""
"2022210","10.9586","0.0006","10.2679","0.0006","12.9392","0.0008","90","","93.624","0.003","90","","1453.03","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","10-Iodo-1,2-dihydroisoquinolino[2,1-<i>b</i>][1,2,4]benzothiadiazine 12,12-dioxide","","- C15 H11 I N2 O2 S -","- C15 H11 I N2 O2 S -","- C60 H44 I4 N8 O8 S4 -","4","1","EP3007","Kolade, Sherif O.; Izunobi, Josephat U.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Familoni, Oluwole B.","Synthesis, crystal structure and docking studies of tetracyclic 10-iodo-1,2-dihydroisoquinolino[2,1-<i>b</i>][1,2,4]benzothiadiazine 12,12-dioxide and its precursors","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009626","","","0.71073","MoKα","","0.0563","0.0444","","","0.139","0.1498","","","","","","1.032","","","","has coordinates,has Fobs","254579","2020-10-21","18:00:00",""
"2022211","10.048","0.002","13.802","0.003","10.543","0.002","90","","90.487","0.01","90","","1462.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-(2-Nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline","2-(2'-Nitrobenzenesulfonyl)-1,3,4-trihydroisoquinoline","","- C15 H14 N2 O4 S -","- C15 H14 N2 O4 S -","- C60 H56 N8 O16 S4 -","4","1","EP3007","Kolade, Sherif O.; Izunobi, Josephat U.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Familoni, Oluwole B.","Synthesis, crystal structure and docking studies of tetracyclic 10-iodo-1,2-dihydroisoquinolino[2,1-<i>b</i>][1,2,4]benzothiadiazine 12,12-dioxide and its precursors","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009626","","","0.71073","MoKα","","0.04","0.0337","","","0.0917","0.0992","","","","","","1.053","","","","has coordinates,has Fobs","254579","2020-10-21","18:00:00",""
"2022212","10.3376","0.0005","12.6151","0.0005","10.885","0.0005","90","","96.59","0.002","90","","1410.13","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-(2-Aminobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline","2-(2'-Aminobenzenesulfonyl)-1,3,4-trihydroisoquinoline","","- C15 H16 N2 O2 S -","- C15 H16 N2 O2 S -","- C60 H64 N8 O8 S4 -","4","1","EP3007","Kolade, Sherif O.; Izunobi, Josephat U.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Familoni, Oluwole B.","Synthesis, crystal structure and docking studies of tetracyclic 10-iodo-1,2-dihydroisoquinolino[2,1-<i>b</i>][1,2,4]benzothiadiazine 12,12-dioxide and its precursors","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009626","","","0.71073","MoKα","","0.0462","0.035","","","0.0947","0.1029","","","","","","1.068","","","","has coordinates,has Fobs","254579","2020-10-21","18:00:00",""
"2022213","18.962","0.002","5.9225","0.0007","11.6649","0.0015","90","","127.027","0.001","90","","1045.8","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane dichloride","","- C5 H10 Cl2 N8 -","- C5 H10 Cl2 N8 -","- C20 H40 Cl8 N32 -","4","0.5","QS3092","Li, Hongya; Yan, Biao; Ma, Haixia; Ma, Xiangrong; Sun, Zhiyong; Ma, Yajun","Crystal structure, thermal properties and detonation characterization of bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane dichloride","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009924","","","0.71073","MoKα","","0.0271","0.0257","","","0.071","0.0723","","","","","","1.103","","","","has coordinates,has Fobs","254580","2020-10-21","18:00:00",""
"2022214","8.4476","0.001","8.5662","0.0008","8.6125","0.0008","110.812","0.009","115.048","0.011","92.854","0.009","512.82","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-Cyclopropyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxadiazole","","- C10 H11 N5 O -","- C10 H11 N5 O -","- C20 H22 N10 O2 -","2","1","KU3265","Shishkina, Svitlana V.; Konovalova, Irina S.; Karpina, Veronika R.; Kovalenko, Svitlana S.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Concomitant polymorphic forms of 3-cyclopropyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxadiazole","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620010414","","","0.71073","MoKα","","0.0679","0.0529","","","0.1455","0.1637","","","","","","1.056","","","","has coordinates,has Fobs","254703","2020-10-21","18:00:00",""
"2022215","4.824","0.0011","8.2685","0.0019","26.527","0.01","90","","90","","90","","1058.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Cyclopropyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxadiazole","","- C10 H11 N5 O -","- C10 H11 N5 O -","- C40 H44 N20 O4 -","4","1","KU3265","Shishkina, Svitlana V.; Konovalova, Irina S.; Karpina, Veronika R.; Kovalenko, Svitlana S.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Concomitant polymorphic forms of 3-cyclopropyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxadiazole","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620010414","","","0.71073","MoKα","","0.0909","0.0512","","","0.0997","0.1194","","","","","","0.99","","","","has coordinates,has Fobs","254703","2020-10-21","18:00:00",""
"2022216","11.588","0.008","11.995","0.008","20.431","0.012","80.65","0.03","89.97","0.02","89.99","0.04","2802","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[(μ-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3^)(μ-naphthalene-2,6-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^6^)zinc(II)] dimethylformamide monosolvate]","","- C29 H27 N5 O5 Zn -","- C29 H27 N5 O5 Zn -","- C116 H108 N20 O20 Zn4 -","4","2","QS3094","Chen, Ning-Ning; Zhang, Chen; Tao, Jian-Qing","A twofold interpenetrating two-dimensional zinc(II) coordination polymer: synthesis, crystal structure and physical properties","Acta Crystallographica Section C","2020","76","9","","","10.1107/S205322962001058X","","","0.71073","MoKα","","0.0548","0.0403","","","0.1067","0.1125","","","","","","1.064","","","","has coordinates,has Fobs","254856","2020-10-21","18:00:00",""
"2022217","12.5006","0.001","12.7609","0.001","15.0775","0.0016","84.538","0.008","86.265","0.007","85.919","0.007","2384","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetra-<i>n</i>-butylammonium bis[6,6'-bis(tetrazol-1-id-5-yl)-2,2'-bipyridine]iron(III) methanol hemisolvate dihydrate","","- C40.5 H54 Fe N21 O2.5 -","- C40.5 H54 Fe N21 O2.5 -","- C81 H108 Fe2 N42 O5 -","2","1","LF3118","Hao, Xiaoyun; Cao, Tong; Dou, Yong; Yang, Lu; Zhou, Zhen; Zhang, Daopeng; Hao, Hongguo","A rare octacoordinated mononuclear iron(III) spin-crossover compound: synthesis, crystal structure and magnetic properties","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010451","","","0.71073","MoKα","","0.0994","0.0685","","","0.1664","0.1905","","","","","","1.069","","","","has coordinates,has Fobs","254857","2020-10-21","18:00:00",""
"2022218","9.72506","0.00016","13.58223","0.00015","10.4099","0.00017","90","","116.071","0.002","90","","1235.11","0.04","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Tetrapropylazanium 2,3,7,8-tetracarboxamido-1,4,6,9-tetraoxa-5λ^4^-boraspiro[4.4]nonane","","- C20 H40 B N5 O8 -","- C20 H40 B N5 O8 -","- C40 H80 B2 N10 O16 -","2","1","FM3065","Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral anionic layers in tartramide spiroborate salts and variable solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu)","Acta Crystallographica Section C","2020","76","7","695","705","10.1107/S2053229620008384","","x-ray","1.54184","CuKα","","0.0252","0.0241","","","0.0597","0.0603","","","","","","1.035","","","","has coordinates,has Fobs","255156","2020-10-21","18:00:00",""
"2022219","10.40272","0.00013","17.5277","0.0003","30.9259","0.0004","90","","90","","90","","5638.9","0.14","100","2","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tetraethylazanium 2,3,7,8-tetracarboxamido-1,4,6,9-tetraoxa-5λ^4^-boraspiro[4.4]nonane 6.375-hydrate","","- C16 H44.75 B N5 O14.375 -","- C16 H44.75 B N5 O14.375 -","- C128 H358 B8 N40 O115 -","8","2","FM3065","Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral anionic layers in tartramide spiroborate salts and variable solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu)","Acta Crystallographica Section C","2020","76","7","695","705","10.1107/S2053229620008384","","x-ray","1.54184","CuKα","","0.0352","0.032","","","0.08","0.0819","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","255156","2020-10-21","18:00:00",""
"2022220","11.49802","0.00016","10.19256","0.0001","14.65365","0.00018","90","","107.916","0.0014","90","","1634.05","0.04","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Tetrabutylazanium 2,3,7,8-tetracarboxamido-1,4,6,9-tetraoxa-5λ^4^-boraspiro[4.4]nonane ethanol monosolvate hemihydrate","","- C26 H55 B N5 O9.5 -","- C26 H55 B N5 O9.5 -","- C52 H110 B2 N10 O19 -","2","1","FM3065","Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral anionic layers in tartramide spiroborate salts and variable solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu)","Acta Crystallographica Section C","2020","76","7","695","705","10.1107/S2053229620008384","","x-ray","1.54184","CuKα","","0.0304","0.0283","","","0.0705","0.0715","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","255156","2020-10-21","18:00:00",""
"2022221","10.41666","0.00015","15.3809","0.0002","18.0053","0.0003","90","","90","","90","","2884.77","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Sparteinium spiroborate ethanol monosolvate","7-Aza-15-azoniatetracyclo[7.7.1.0^2,7^.0^10,15^]heptadecane 2,3,7,8-tetracarboxamido-1,4,6,9-tetraoxa-5λ^4^-boraspiro[4.4]nonane ethanol monosolvate","","- C25 H45 B N6 O9 -","- C25 H45 B N6 O9 -","- C100 H180 B4 N24 O36 -","4","1","FM3065","Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral anionic layers in tartramide spiroborate salts and variable solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu)","Acta Crystallographica Section C","2020","76","7","695","705","10.1107/S2053229620008384","","x-ray","1.54184","CuKα","","0.0276","0.0258","","","0.0669","0.0678","","","","","","1.038","","","","has coordinates,has Fobs","255156","2020-10-21","18:00:00",""
"2022222","10.2725","0.0004","12.254","0.0006","12.7472","0.0006","109.923","0.002","105.202","0.002","94.953","0.002","1428.23","0.12","103.58","","103.58","","","","","","","","","6","P -1","-P 1","2","","{10,20-Bis[2,6-bis(octyloxy)phenyl]-5,15-dibromoporphinato}copper(II)","","- C64 H82 Br2 Cu N4 O4 -","- C64 H82 Br2 Cu N4 O4 -","- C64 H82 Br2 Cu N4 O4 -","1","0.5","YP3204","Nalaoh, Phattananawee; Bureekaew, Sareeya; Promarak, Vinich; Lindsey, Jonathan S.","Fourfold alkyl wrapping of a copper(II) porphyrin thwarts macrocycle π‒π stacking in a compact supramolecular package","Acta Crystallographica Section C","2020","76","7","647","654","10.1107/S2053229620007172","","x-ray","0.71073","MoKα","","0.0658","0.0397","","","0.0765","0.0848","","","","","","1.0405","","","","has coordinates,has Fobs","255157","2020-10-21","18:00:00",""
"2022223","10.66","0.002","12.24","0.002","14.649","0.003","109.48","0.03","107.32","0.03","98.87","0.03","1650.6","0.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquatris[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene]bis[μ~6~-4-(2,4-dicarboxylatophenoxy)phthalato]tetracobalt(II)] hexahydrate]","","- C68 H58 Co4 N12 O26 -","- C68 H58 Co4 N12 O26 -","- C68 H58 Co4 N12 O26 -","1","0.5","DG3008","Li, Shao-Dong; Su, Feng; Zhu, Miao-Li; Lu, Li-Ping","A novel three-dimensional tetranuclear Co^II^ coordination polymer with water hexamers based on the V-shaped tetracarboxylate ligand 4-(2,4-dicarboxylatophenoxy)phthalate","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010633","","","0.71073","MoKα","","0.0496","0.0365","","","0.0866","0.0927","","","","","","1.005","","","","has coordinates,has Fobs","255205","2020-10-21","18:00:00",""
"2022224","6.756","0.004","13.108","0.008","6.385","0.004","90","","90","","90","","565.4","0.6","200","","200","","","","","","","","","3","I b a m","-I 2 2c","72","","Dibarium zinc diphosphide","","- Ba2 P2 Zn -","- Ba2 P2 Zn -","- Ba8 P8 Zn4 -","4","0.25","OV3142","Balvanz, Adam; Baranets, Sviatoslav; Bobev, Svilen","Synthesis, structural characterization, and electronic structure of the novel Zintl phase Ba~2~ZnP~2~","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010827","","","0.71073","MoKα","","0.0216","0.0177","","","0.0357","0.0366","","","","","","1.039","","","","has coordinates,has Fobs","255237","2020-10-21","18:00:00",""
"2022225","8.2595","0.0004","6.4279","0.0003","31.9064","0.0014","90","","93.674","0.002","90","","1690.47","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(<i>E</i>)-3-Acetyl-2-methyl-4-(4-methoxystyryl)quinoline","(<i>E</i>)-3-Acetyl-4-[2-(4-methoxyphenyl)ethenyl]-2-methylquinoline","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","SK3755","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.0504","0.0401","","","0.1","0.1106","","","","","","1.059","","","","has coordinates,has Fobs","255313","2020-10-21","18:00:00",""
"2022226","8.0849","0.0003","6.6692","0.0002","31.1063","0.001","90","","95.005","0.001","90","","1670.85","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(<i>E</i>)-3-Acetyl-4-(4-bromostyryl)-2-methylquinoline","(<i>E</i>)-3-Acetyl-4-[2-(4-bromophenyl)ethenyl]-2-methylquinoline","","- C20 H16 Br N O -","- C20 H16 Br N O -","- C80 H64 Br4 N4 O4 -","4","1","SK3755","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.0345","0.0296","","","0.0704","0.0734","","","","","","1.027","","","","has coordinates,has Fobs","255313","2020-10-21","18:00:00",""
"2022227","8.0822","0.0004","6.6567","0.0004","32.1024","0.0017","90","","90.576","0.002","90","","1727.05","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(<i>E</i>)-3-Acetyl-2-methyl-4-[4-(trifluoromethyl)styryl]quinoline","(<i>E</i>)-3-Acetyl-2-methyl-4-{2-[4-(trifluoromethyl)phenyl]ethenyl}quinoline","","- C21 H16 F3 N O -","- C21 H16 F3 N O -","- C84 H64 F12 N4 O4 -","4","1","SK3755","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.0501","0.0413","","","0.0959","0.1008","","","","","","1.04","","","","has coordinates,has Fobs","255313","2020-10-21","18:00:00",""
"2022228","9.5301","0.0008","10.3513","0.0008","10.3621","0.0008","65.374","0.003","86.583","0.003","76.376","0.003","902.23","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Ethyl (<i>E</i>)-2-methyl-4-(4-methoxystyryl)quinoline-3-carboxylate","Ethyl (<i>E</i>)-4-[2-(4-methoxyphenyl)ethenyl]-2-methylquinoline-3-carboxylate","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C44 H42 N2 O6 -","2","1","SK3755","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.0641","0.052","","","0.12","0.1278","","","","","","1.068","","","","has coordinates,has Fobs","255313","2020-10-21","18:00:00",""
"2022229","9.5709","0.0006","10.6119","0.0007","18.2074","0.001","90","","90.939","0.002","90","","1849","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ethyl (<i>E</i>)-4-(4-bromostyryl)-2-methylquinoline-3-carboxylate","Ethyl (<i>E</i>)-4-[2-(4-bromophenyl)ethenyl]-2-methylquinoline-3-carboxylate","","- C21 H18 Br N O2 -","- C21 H18 Br N O2 -","- C84 H72 Br4 N4 O8 -","4","1","SK3755","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.0277","0.0223","","","0.0532","0.0558","","","","","","1.021","","","","has coordinates,has Fobs","255313","2020-10-21","18:00:00",""
"2022230","8.7465","0.001","9.9436","0.0011","11.1116","0.0011","105.446","0.004","99.763","0.004","97.204","0.004","903.08","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Ethyl (<i>E</i>)-2-methyl-4-[4-(trifluoromethyl)styryl]quinoline-3-carboxylate","Ethyl (<i>E</i>)-2-methyl-4-{2-[4-(trifluoromethyl)phenyl]ethenyl}quinoline-3-carboxylate","","- C22 H18 F3 N O2 -","- C22 H18 F3 N O2 -","- C44 H36 F6 N2 O4 -","2","1","SK3755","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.0571","0.0439","","","0.106","0.1204","","","","","","1.053","","","","has coordinates,has Fobs","255313","2020-10-21","18:00:00",""
"2022231","13.273","0.0016","14.8012","0.0016","20.137","0.002","90","","90","","90","","3956","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-3-benzoyl-2-methyl-4-(3-methylstyryl)quinoline","","- C26 H21 N O -","- C26 H21 N O -","- C208 H168 N8 O8 -","8","1","","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.144","0.1172","","","0.1909","0.2005","","","","","","1.303","","","","has coordinates","255314","2020-10-21","18:00:00",""
"2022232","10.8168","0.0006","17.3361","0.001","12.8892","0.0006","90","","114.132","0.002","90","","2205.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-1-(2-Methyl-4-((E)-4-methylstyryl)quinolin-3-yl)-3- phenyl-prop-2-en-1-one","","- C28 H23 N O -","- C28 H23 N O -","- C112 H92 N4 O4 -","4","1","","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.0547","0.0439","","","0.1043","0.1103","","","","","","1.015","","","","has coordinates","255314","2020-10-21","18:00:00",""
"2022233","3.8598","0.0004","11.7229","0.001","27.679","0.002","90","","93.255","0.009","90","","1250.4","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5-Bromo-3-hydroxybenzofuran-2-yl)(4-fluorophenyl)methanone","","- C15 H8 Br F O3 -","- C15 H8 Br F O3 -","- C60 H32 Br4 F4 O12 -","4","1","SK3753","Cong, Nguyen Tien; Trang, Huynh Thi Xuan; Dung, Pham Duc; Phuong, Tran Hoang; Trung, Vu Quoc; Dat, Nguyen Dang; Anh, Dang Thi Tuyet; Tuyen, Nguyen Van; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 2-aroylbenzofuran-3-ols","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011018","","x-ray","0.71073","MoKα","","0.0699","0.0452","","","0.0883","0.0972","","","","","","1.074","","","","has coordinates,has Fobs","255315","2020-10-21","18:00:00",""
"2022234","26.4034","0.001","3.9818","0.0001","26.2773","0.001","90","","104.605","0.004","90","","2673.35","0.17","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5-Bromo-3-hydroxybenzofuran-2-yl)(4-chlorophenyl)methanone","","- C15 H8 Br Cl O3 -","- C15 H8 Br Cl O3 -","- C120 H64 Br8 Cl8 O24 -","8","2","SK3753","Cong, Nguyen Tien; Trang, Huynh Thi Xuan; Dung, Pham Duc; Phuong, Tran Hoang; Trung, Vu Quoc; Dat, Nguyen Dang; Anh, Dang Thi Tuyet; Tuyen, Nguyen Van; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 2-aroylbenzofuran-3-ols","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011018","","x-ray","0.71073","MoKα","","0.1049","0.0516","","","0.0856","0.1016","","","","","","1.012","","","","has coordinates,has Fobs","255315","2020-10-21","18:00:00",""
"2022235","7.0725","0.0004","7.0884","0.0005","14.6069","0.0008","92.23","0.005","103.091","0.005","101.219","0.006","696.98","0.08","294","2","294.15","","","","","","","","","4","P -1","-P 1","2","","(5-Bromo-3-hydroxybenzofuran-2-yl)(4-bromophenyl)methanone","","- C15 H8 Br2 O3 -","- C15 H8 Br2 O3 -","- C30 H16 Br4 O6 -","2","1","SK3753","Cong, Nguyen Tien; Trang, Huynh Thi Xuan; Dung, Pham Duc; Phuong, Tran Hoang; Trung, Vu Quoc; Dat, Nguyen Dang; Anh, Dang Thi Tuyet; Tuyen, Nguyen Van; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 2-aroylbenzofuran-3-ols","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011018","","x-ray","0.71073","MoKα","","0.0798","0.0462","","","0.0959","0.1093","","","","","","1.035","","","","has coordinates,has Fobs","255315","2020-10-21","18:00:00",""
"2022236","26.4214","0.0008","4.76309","0.00013","46.6213","0.0014","90","","106.034","0.003","90","","5638.9","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","(4-Bromophenyl)(3-hydroxy-5-iodobenzofuran-2-yl)methanone","","- C15 H8 Br I O3 -","- C15 H8 Br I O3 -","- C240 H128 Br16 I16 O48 -","16","2","SK3753","Cong, Nguyen Tien; Trang, Huynh Thi Xuan; Dung, Pham Duc; Phuong, Tran Hoang; Trung, Vu Quoc; Dat, Nguyen Dang; Anh, Dang Thi Tuyet; Tuyen, Nguyen Van; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 2-aroylbenzofuran-3-ols","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011018","","x-ray","0.71073","MoKα","","0.0653","0.0481","","","0.1132","0.1231","","","","","","1.067","","","","has coordinates,has Fobs","255315","2020-10-21","18:00:00",""
"2022237","5.4364","0.001","5.6202","0.0011","15.844","0.003","83.623","0.003","87.617","0.003","86.146","0.003","479.72","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis(4,5-diamino-1,2,4-triazol-3-yl)methane monohydrate","","- C5 H12 N10 O -","- C5 H12 N10 O -","- C10 H24 N20 O2 -","2","1","QS3093","Yan, Biao; Li, Hongya; Ma, Haixia; Ma, Xiangrong; Sun, Zhiyong; Ma, Yajun","Crystal structure, thermal behaviour and detonation characterization of bis(4,5-diamino-1,2,4-triazol-3-yl)methane monohydrate","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011080","","","0.71073","MoKα","","0.039","0.0351","","","0.0877","0.0915","","","","","","1.035","","","","has coordinates,has Fobs","255340","2020-10-21","18:00:00",""
"2022238","17.6719","0.0008","25.7296","0.0012","6.8887","0.0003","90","","90","","90","","3132.2","0.2","100","2","100","2","","","","","","","","6","I b a 2","I 2 -2c","45","","7-Nitro-2-(piperidine-1-carbonyl)-5-(trifluoromethyl)benzo[<i>d</i>]isothiazol-3(2<i>H</i>)-one 1-oxide","","- C14 H12 F3 N3 O5 S -","- C14 H12 F3 N3 O5 S -","- C112 H96 F24 N24 O40 S8 -","8","1","EP3008","Eckhardt, Tamira; Goddard, Richard; Lehmann, Christoph; Richter, Adrian; Sahile, Henok Asfaw; Liu, Rui; Tiwari, Rohit; Oliver, Allen G.; Miller, Marvin J.; Seidel, Rüdiger W.; Imming, Peter","Crystallographic evidence for unintended benzisothiazolinone 1-oxide formation from benzothiazinones through oxidation","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010931","","","1.54178","CuKα","","0.0983","0.0591","","","0.1292","0.1703","","","","","","1.083","","","","has coordinates,has Fobs","255584","2020-10-21","18:00:00",""
"2022239","8.8165","0.0002","16.1649","0.0004","13.4246","0.0003","90","","90.0022","0.0012","90","","1913.25","0.08","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2-[(<i>S</i>)-2-Methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl]-7-nitro-5-(trifluoromethyl)benzo[<i>d</i>]isothiazol-3(2<i>H</i>)-one 1-oxide","","- C17 H16 F3 N3 O7 S -","- C17 H16 F3 N3 O7 S -","- C68 H64 F12 N12 O28 S4 -","4","2","EP3008","Eckhardt, Tamira; Goddard, Richard; Lehmann, Christoph; Richter, Adrian; Sahile, Henok Asfaw; Liu, Rui; Tiwari, Rohit; Oliver, Allen G.; Miller, Marvin J.; Seidel, Rüdiger W.; Imming, Peter","Crystallographic evidence for unintended benzisothiazolinone 1-oxide formation from benzothiazinones through oxidation","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010931","","","1.54178","CuKα","","0.0348","0.0328","","","0.0807","0.0827","","","","","","1.04","","","","has coordinates,has Fobs","255584","2020-10-21","18:00:00",""
"2022240","14.5681","0.0006","19.477","0.0008","17.8029","0.0007","90","","109.21","0.001","90","","4770.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(2,2'-bipyridine)di-μ~3~-hydroxido-hexakis(μ-2-propylpentanoato)bis(2-propylpentanoato)pentazinc(II)","","- C84 H138 N4 O18 Zn5 -","- C84 H138 N4 O18 Zn5 -","- C168 H276 N8 O36 Zn10 -","2","0.5","VP3007","Abu Ali, Hijazi; Darawsheh, Mohanad","Combining valproate and bipyridyl ligands to construct a 0D core-shell Zn~5~(μ~3~-OH)~2~ cluster and a 2D layered coordination network with a [Zn~3~(μ~3~-OH)]~2~ SBU","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011262","","","0.71073","MoKα","","0.0688","0.0495","","","0.1252","0.1366","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","255585","2020-10-21","18:00:00",""
"2022241","15.3595","0.001","24.8498","0.0016","16.6739","0.0011","90","","106.631","0.001","90","","6097.9","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[bis(μ-4,4'-bipyridine)di-μ~3~-hydroxido-octakis(μ-2-propylpentanoato)bis(2-propylpentanoato)hexazinc(II)] dimethylformamide disolvate]","","- C106 H182 N6 O24 Zn6 -","- C106 H182 N6 O24 Zn6 -","- C212 H364 N12 O48 Zn12 -","2","0.5","VP3007","Abu Ali, Hijazi; Darawsheh, Mohanad","Combining valproate and bipyridyl ligands to construct a 0D core-shell Zn~5~(μ~3~-OH)~2~ cluster and a 2D layered coordination network with a [Zn~3~(μ~3~-OH)]~2~ SBU","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011262","","","0.71073","MoKα","","0.0558","0.0422","","","0.0988","0.1053","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","255585","2020-10-21","18:00:00",""
"2022242","26.26089","0.00017","12.39989","0.00008","29.17764","0.00019","90","","90","","90","","9501.18","0.11","149.7","0.8","149.7","0.8","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>N</i>,<i>N</i>-Dibutyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')[tris(3,5-diphenylpyrazol-1-yl-κ<i>N</i>^2^)hydroborato]cobalt(II)","","- C54 H52 B Co N7 S2 -","- C54 H52 B Co N7 S2 -","- C432 H416 B8 Co8 N56 S16 -","8","1","YP3208","Songkerdthong, Jetnipat; Harding, Phimphaka; Harding, David J.","Conformational polymorphism in a cobalt(II) dithiocarbamate complex","Acta Crystallographica Section C","2020","76","9","","","10.1107/S205322962001164X","","x-ray","1.54184","CuKα","","0.0403","0.0356","","","0.0893","0.092","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","255738","2020-10-21","18:00:00",""
"2022243","11.69503","0.0001","15.27162","0.00013","15.43643","0.00016","117.441","0.0009","100.791","0.0008","94.2199","0.0007","2362.76","0.04","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","(<i>N</i>,<i>N</i>-Dibutyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')[tris(3,5-diphenylpyrazol-1-yl-κ<i>N</i>^2^)hydroborato]cobalt(II)","","- C54 H52 B Co N7 S2 -","- C54 H52 B Co N7 S2 -","- C108 H104 B2 Co2 N14 S4 -","2","1","YP3208","Songkerdthong, Jetnipat; Harding, Phimphaka; Harding, David J.","Conformational polymorphism in a cobalt(II) dithiocarbamate complex","Acta Crystallographica Section C","2020","76","9","","","10.1107/S205322962001164X","","x-ray","1.54184","CuKα","","0.0364","0.0348","","","0.0918","0.0928","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","255738","2020-10-21","18:00:00",""
"2022244","7.366","0.0004","12.8932","0.0006","14.9661","0.0007","90","","90","","90","","1421.35","0.12","298.15","","298.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4a<i>S</i>,5<i>R</i>,8a<i>R</i>,9a<i>S</i>)-9a-Hydroxy-3,4a,5-trimethyl-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-<i>b</i>]furan-2,8-dione","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","YP3206","Arancibia, Luz; Naspi, Mariana; Pucci, Graciela; Rodriguez, Maricel; Di Salvo, Florencia","Revisiting the absolute chirality and polymorphism of (‒)-Istanbulin A","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011493","","x-ray","1.54184","CuKα","","0.0719","0.0519","","","0.1252","0.1505","","","","","","1.08","","","","has coordinates,has Fobs","255739","2020-10-21","18:00:00",""
"2022245","4.5999","0.0005","10.2684","0.001","18.711","0.002","90","","90","","90","","883.79","0.16","210","2","210","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-{[(Isoxazol-3-yl)imino]methyl}phenol","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","1","WV3001","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Synthesis and structures of three isoxazole-containing Schiff bases","Acta Crystallographica Section C","2020","76","9","927","931","10.1107/S2053229620010530","","x-ray","0.71073","MoKα","","0.0378","0.0321","","","0.0798","0.0831","","","","","","1.078","","","","has coordinates,has Fobs","255750","2020-10-21","18:00:00",""
"2022246","20.5584","0.0007","10.0468","0.0004","4.6417","0.0002","90","","90","","90","","958.73","0.07","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","N-(salicylidene)-3-amino-5-methyl-isoxazole","(<i>E</i>)-2-{[(5-Methylisoxazol-3-yl)imino]methyl}phenol","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C44 H40 N8 O8 -","4","1","WV3001","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Synthesis and structures of three isoxazole-containing Schiff bases","Acta Crystallographica Section C","2020","76","9","927","931","10.1107/S2053229620010530","","","0.71073","MoKα","","0.0428","0.0365","","","0.0775","0.0808","","","","","","1.05","","","","has coordinates,has Fobs","255750","2020-10-21","18:00:00",""
"2022247","10.8955","0.0005","10.9571","0.0004","14.8329","0.0006","82.335","0.003","88.326","0.004","75.178","0.003","1696.56","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","N-(3,5-ditertbutylsalicylidene)-3-aminoisoxazole","(<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[(isoxazol-3-yl)imino]methyl}phenol","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","2","WV3001","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Synthesis and structures of three isoxazole-containing Schiff bases","Acta Crystallographica Section C","2020","76","9","927","931","10.1107/S2053229620010530","","","0.71073","MoKα","","0.0744","0.0492","","","0.105","0.1192","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","255750","2020-10-21","18:00:00",""
"2022248","13.337","0.004","13.337","","13.337","","90","","90","","90","","2372.3","0.7","200","2","200","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Bi In0.14 Li2.56 -","- Bi In0.14425 Li2.56325 -","- Bi32 In4.616 Li82.024 -","32","0.166667","FN3334","Ovchinnikov, Alexander; Bobev, Svilen","Electronic stabilization by occupational disorder in the ternary bismuthide Li~3 -~ <i>~x~</i>~-~<i>~y~</i>In<i>~x~</i>Bi (<i>x</i> ≃0.14, <i>y</i> ≃0.29)","Acta Crystallographica, Section C","2020","76","6","585","590","10.1107/S2053229620006439","","","0.71073","MoKα","","0.0345","0.024","","","0.0495","0.0534","","","","","","1.063","","","","has coordinates","256206","2020-10-21","18:00:00",""
"2022249","7.9269","0.0006","11.3939","0.0008","13.6589","0.0008","78.61","0.005","81.339","0.006","70.031","0.006","1132.01","0.14","289","2","289","2","","","","","","","","5","P -1","-P 1","2","","Poly[(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'){μ-4-[(4-carboxybenzyloxy)methyl]benzoato-κ<i>O</i>}silver(I)](<i>Ag</i>—<i>Ag</i>)","","- C26 H21 Ag N2 O5 -","- C26 H21 Ag N2 O5 -","- C52 H42 Ag2 N4 O10 -","2","1","DG3009","Chen, Zhao; Zhang, Zilong; Zhang, Chong; Xiao, Yu","A new ladder-type silver(I) coordination polymer with 4,4'-bipyridine and 4-[(4-carboxybenzyloxy)methyl]benzoate ligands: synthesis, crystal structure, fluorescence properties and Hirshfeld surface analysis","Acta Crystallographica Section C","2020","76","10","952","957","10.1107/S2053229620011882","","","0.71073","MoKα","","0.0979","0.0512","","","0.0898","0.1151","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","259026","2020-11-06","23:56:04",""
"2022250","9.9167","0.0005","6.9587","0.0005","23.2803","0.0015","90","","96.988","0.006","90","","1594.58","0.17","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Combretastatin A-4","2-Methoxy-5-[(<i>E</i>)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol","","- C18 H20 O5 -","- C18 H20 O5 -","- C72 H80 O20 -","4","1","VP3009","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Buśko, Daria; Kubicki, Maciej","Two new polymorphic forms of combretastatin A-4, an antitumour agent","Acta Crystallographica Section C","2020","76","10","958","964","10.1107/S205322962001236X","","x-ray","0.71073","MoKα","","0.0978","0.0471","","","0.0869","0.1075","","","","","","0.998","","","","has coordinates,has Fobs","259025","2020-11-06","23:55:56",""
"2022251","25.9293","0.0007","8.8657","0.0003","14.3503","0.0005","90","","90","","90","","3298.87","0.18","295","2","295","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Combretastatin A-4","2-Methoxy-5-[(<i>E</i>)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol","","- C18 H20 O5 -","- C18 H20 O5 -","- C144 H160 O40 -","8","2","VP3009","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Buśko, Daria; Kubicki, Maciej","Two new polymorphic forms of combretastatin A-4, an antitumour agent","Acta Crystallographica Section C","2020","76","10","958","964","10.1107/S205322962001236X","","x-ray","0.71073","MoKα","","0.0517","0.0381","","","0.0857","0.0929","","","","","","1.042","","","","has coordinates,has Fobs","259025","2020-11-06","23:55:56",""
"2022252","7.7416","0.0016","8.9487","0.0018","17.168","0.003","90","","90","","90","","1189.4","0.4","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Methylenebis(5-amino-1,2,4-triazol-4-ium) dinitrate","","- C5 H10 N10 O6 -","- C5 H10 N10 O6 -","- C20 H40 N40 O24 -","4","0.5","WP3010","Li, Hongya; Yan, Biao; Ma, Haixia; Ma, Xiangrong; Sun, Zhiyong; Ma, Yajun","Crystal structure, thermal properties and detonation characterization of bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane dinitrate","Acta Crystallographica Section C","2020","76","10","965","971","10.1107/S2053229620012516","","","0.71073","MoKα","","0.0435","0.0359","","","0.0964","0.1029","","","","","","1.035","","","","has coordinates,has Fobs","259027","2020-11-06","23:56:11",""
"2022253","21.2141","0.0009","5.537","0.0003","15.3045","0.0008","90","","90.31","0.002","90","","1797.68","0.16","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Poly[di-μ-aqua-diaqua(μ~4~-azobenzene-3,3'-disulfonato)disodium(I)]","Poly[di-μ-aqua-diaqua[μ~4~-3,3'-(diazane-1,2-diyl)bis(benzenesulfonato)]disodium(I)]","","- C12 H16 N2 Na2 O10 S2 -","- C12 H16 N2 Na2 O10 S2 -","- C48 H64 N8 Na8 O40 S8 -","4","0.5","YF3208","Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.","Structures of five salt forms of disulfonated monoazo dyes","Acta Crystallographica Section C","2020","76","10","972","981","10.1107/S2053229620012735","","","0.71073","MoKα","","0.0599","0.0379","","","0.0824","0.0904","","","","","","1.039","","","","has coordinates,has Fobs","259028","2020-11-06","23:56:24",""
"2022254","6.3875","0.0002","6.747","0.0002","11.303","0.0005","94.289","0.002","103.16","0.002","108.456","0.002","444.21","0.03","123","2","123","2","","","","","","","","6","P -1","-P 1","2","<i>catena</i>-Poly[[tetraaquacalcium(II)]-μ-azobenzene-3,3'-disulfonato]","<i>catena</i>-Poly[[tetraaquacalcium(II)]-μ-3,3'-(diazane-1,2-diyl)bis(benzenesulfonato)]","","- C12 H16 Ca N2 O10 S2 -","- C12 H16 Ca N2 O10 S2 -","- C12 H16 Ca N2 O10 S2 -","1","0.5","YF3208","Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.","Structures of five salt forms of disulfonated monoazo dyes","Acta Crystallographica Section C","2020","76","10","972","981","10.1107/S2053229620012735","","","0.71073","MoKα","","0.0344","0.027","","","0.0654","0.0695","","","","","","1.05","","","","has coordinates,has Fobs","259028","2020-11-06","23:56:24",""
"2022255","13.9454","0.0018","19.517","0.003","6.9014","0.0009","90","","93.838","0.002","90","","1874.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[diaquacalcium(II)]-μ-2-(4-amino-3-sulfonatophenyl)-\ 1-(4-sulfonatophenyl)diazenium] dihydrate]","","- C12 H18 N3 Na O10 S2 -","- C12 H18 N3 Na O10 S2 -","- C48 H72 N12 Na4 O40 S8 -","4","1","YF3208","Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.","Structures of five salt forms of disulfonated monoazo dyes","Acta Crystallographica Section C","2020","76","10","972","981","10.1107/S2053229620012735","","","0.6775","synchrotron","","0.0559","0.0397","","","0.0994","0.1073","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","259028","2020-11-06","23:56:24",""
"2022256","36.896","0.003","6.7806","0.0004","17.914","0.0012","90","","111.178","0.009","90","","4179","0.6","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Hexaaquamagnesium bis{2-(4-amino-3-sulfonatophenyl)-1-(4-sulfonatophenyl)diazenium} octahydrate","","- C24 H48 Mg N6 O26 S4 -","- C24 H47.9988 Mg N6 O26 S4 -","- C96 H191.995 Mg4 N24 O104 S16 -","4","0.5","YF3208","Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.","Structures of five salt forms of disulfonated monoazo dyes","Acta Crystallographica Section C","2020","76","10","972","981","10.1107/S2053229620012735","","","1.5418","CuKα","","0.0645","0.0503","","","0.1281","0.1429","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","259028","2020-11-06","23:56:24",""
"2022257","7.1293","0.0004","18.8368","0.0011","34.752","0.002","90","","90","","90","","4667","0.5","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Poly[(μ~2~-4-amino-2-methyl-5-methoxyazobenzene-2',4'-disulfonato)di-μ-aqua-diaquabarium(II)] dihydrate]","Poly[[{μ~2~-4-[2-(4-amino-2-methyl-5-methoxyphenyl)diazen-1-yl]benzene-1,3-disulfonato}di-μ-aqua-diaquabarium(II)] dihydrate]","","- C14 H25 Ba N3 O13 S2 -","- C14 H25 Ba N3 O13 S2 -","- C112 H200 Ba8 N24 O104 S16 -","8","1","YF3208","Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.","Structures of five salt forms of disulfonated monoazo dyes","Acta Crystallographica Section C","2020","76","10","972","981","10.1107/S2053229620012735","","","0.71073","MoKα","","0.0621","0.042","","","0.0877","0.0957","","","","","","1.146","","","","has coordinates,has Fobs","259028","2020-11-06","23:56:24",""
"2022258","12.3766","0.0003","10.7745","0.0002","9.205","0.0002","90","","104.777","0.002","90","","1186.9","0.05","130","1","130","1","","","","","","","","4","C 1 c 1","C -2yc","9","","2,2'-Disulfanediylbis(pyrimidine-4,6-diamine)","","- C8 H10 N8 S2 -","- C8 H10 N8 S2 -","- C32 H40 N32 S8 -","4","1","ZO3006","Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej","When solvent becomes reactant: a study of 6-aminothiocytosine derivatives","Acta Crystallographica Section C","2020","76","10","992","999","10.1107/S2053229620012504","","x-ray","1.54184","CuKα","","0.0225","0.0223","","","0.059","0.0591","","","","","","1.073","","","","has coordinates,has Fobs","256848","2020-10-21","18:00:00",""
"2022259","36.9868","0.001","15.5842","0.0004","4.2131","0.0001","90","","90","","90","","2428.47","0.11","130","1","130","1","","","","","","","","4","F d d 2","F 2 -2d","43","","2,2'-[Methanediylbis(sulfanediyl)]bis(pyrimidine-4,6-diamine)","","- C9 H12 N8 S2 -","- C9 H12 N8 S2 -","- C72 H96 N64 S16 -","8","0.5","ZO3006","Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej","When solvent becomes reactant: a study of 6-aminothiocytosine derivatives","Acta Crystallographica Section C","2020","76","10","992","999","10.1107/S2053229620012504","","x-ray","1.54184","CuKα","","0.0232","0.0228","","","0.062","0.0622","","","","","","1.057","","","","has coordinates,has Fobs","256848","2020-10-21","18:00:00",""
"2022260","8.6783","0.0004","9.1691","0.0006","11.4391","0.0006","90","","97.846","0.004","90","","901.71","0.09","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(Methoxymethyl)sulfanyl]pyrimidine-4,6-diamine","","- C6 H10 N4 O S -","- C6 H10 N4 O S -","- C24 H40 N16 O4 S4 -","4","1","ZO3006","Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej","When solvent becomes reactant: a study of 6-aminothiocytosine derivatives","Acta Crystallographica Section C","2020","76","10","992","999","10.1107/S2053229620012504","","","0.71073","MoKα","","0.0754","0.0501","","","0.1133","0.1314","","","","","","1.028","","","","has coordinates,has Fobs","256848","2020-10-21","18:00:00",""
"2022261","6.9631","0.0008","8.035","0.001","8.0886","0.001","103.021","0.01","111.568","0.011","106.007","0.01","376.56","0.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Poly[(μ-4,6-diaminopyrimidine-2-sulfinato)potassium(I)]","","- C4 H5 K N4 O2 S -","- C4 H5 K N4 O2 S -","- C8 H10 K2 N8 O4 S2 -","2","1","ZO3006","Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej","When solvent becomes reactant: a study of 6-aminothiocytosine derivatives","Acta Crystallographica Section C","2020","76","10","992","999","10.1107/S2053229620012504","","x-ray","0.71073","MoKα","","0.0388","0.0329","","","0.0852","0.0896","","","","","","1.081","","","","has coordinates,has Fobs","256848","2020-10-21","18:00:00",""
"2022262","7.4469","0.0002","27.9271","0.0011","14.3092","0.0005","90","","90","","90","","2975.89","0.18","147","2","147","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","Dichlorido[(<i>E</i>)-4-nitro-<i>N</i>-(pyridin-2-ylmethylidene)aniline]platinum(II) acetonitrile hemisolvate","","- C13 H10.5 Cl2 N3.5 O2 Pt -","- C13 H10.5 Cl2 N3.5 O2 Pt -","- C104 H84 Cl16 N28 O16 Pt8 -","8","1","DV3003","Khalaj, Mehdi; Olyaei, Abolfazl; Sadeghpour, Mahdieh; Lalegani, Arash; Lipkowski, Janusz; Lough, Alan J.","Platinum(II) complex with 4-nitro-<i>N</i>-(pyridin-2-ylmethylidene)aniline: synthesis, characterization, crystal structure and antioxidant activity","Acta Crystallographica Section C","2020","76","11","","","10.1107/S205322962001308X","","","0.71073","MoKα","","0.0598","0.0394","","","0.0622","0.0687","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","258296","2020-10-21","18:00:00",""
"2022263","9.0047","0.0008","16.5608","0.0017","19.4709","0.0018","90","","107.493","0.004","90","","2769.3","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[[μ~2~-1,4-bis(1<i>H</i>-benzimidazol-1-yl)butane](μ~2~-heptanedioato)cadmium(II)] tetrahydrate]","","- C25 H36 Cd N4 O8 -","- C25 H36 Cd N4 O8 -","- C100 H144 Cd4 N16 O32 -","4","1","SK3754","Zhao, Fang-Hua; Li, Shi-Yao; Guo, Wen-Yu; Zhao, Zi-Hao; Guo, Xiao-Wen; Li, Yu-Shuo; Fan, Sheng-Qing; Li, Zhong-Lin","Two new Cd^II^ MOFs of 1,4-bis(1<i>H</i>-benzimidazol-1-yl)butane and flexible dicarboxylate ligands: luminescence sensing towards Fe^3+^","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013698","","","0.71073","MoKα","","0.0801","0.0512","","","0.0812","0.0915","","","","","","1.106","","","","has coordinates,has Fobs","258572","2020-10-23","04:34:42",""
"2022264","8.2423","0.0006","10.6568","0.0007","12.4175","0.001","105.466","0.004","92.7","0.004","103.416","0.004","1015.6","0.13","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaqua[μ~2~-1,4-bis(1<i>H</i>-benzimidazol-1-yl)butane](μ~4~-decanedioato)(2̃~-decanedioato)dicadmium(II)]","","- C19 H27 Cd N2 O5 -","- C19 H27 Cd N2 O5 -","- C38 H54 Cd2 N4 O10 -","2","1","SK3754","Zhao, Fang-Hua; Li, Shi-Yao; Guo, Wen-Yu; Zhao, Zi-Hao; Guo, Xiao-Wen; Li, Yu-Shuo; Fan, Sheng-Qing; Li, Zhong-Lin","Two new Cd^II^ MOFs of 1,4-bis(1<i>H</i>-benzimidazol-1-yl)butane and flexible dicarboxylate ligands: luminescence sensing towards Fe^3+^","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013698","","","0.71073","MoKα","","0.0575","0.0384","","","0.0805","0.0879","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","258572","2020-10-23","04:34:44",""
"2022265","11.1584","0.0008","13.6425","0.0014","36.061","0.004","90","","90","","90","","5489.5","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Bedaquline","1-(6-Bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)- 2-(naphthalen-1-yl)-1-phenylbutan-2-ol","","- C32 H31 Br N2 O2 -","- C32 H31 Br N2 O2 -","- C256 H248 Br8 N16 O16 -","8","2","OV3143","Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.","Crystal structures of salts of bedaquiline","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013455","","","0.71073","MoKα","","0.0836","0.0441","","","0.0985","0.1111","","","","","","1.027","","","","has coordinates,has Fobs","258573","2020-10-23","04:36:22",""
"2022266","16.4556","0.0006","10.3205","0.0003","20.1636","0.0008","90","","109.183","0.0015","90","","3234.2","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bedaqulinium 3-carboxyprop-2-enoate","[4-(6-Bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylbutyl]dimethylazanium 3-carboxyprop-2-enoate","","- C36 H35 Br N2 O6 -","- C36 H35 Br N2 O6 -","- C144 H140 Br4 N8 O24 -","4","2","OV3143","Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.","Crystal structures of salts of bedaquiline","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013455","","","0.71073","MoKα","","0.0664","0.0431","","","0.1067","0.1174","","","","","","1.057","","","","has coordinates,has Fobs","258573","2020-10-23","04:36:26",""
"2022267","4.3606","0.0006","10.82","0.002","29.886","0.011","90","","90","","90","","1410.1","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Benzyl-6-bromo-2-methoxyquinoline","","- C17 H14 Br N O -","- C17 H14 Br N O -","- C68 H56 Br4 N4 O4 -","4","1","OV3143","Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.","Crystal structures of salts of bedaquiline","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013455","","","0.71073","MoKα","","0.0314","0.0234","","","0.054","0.0565","","","","","","1.051","","","","has coordinates,has Fobs","258573","2020-10-23","04:36:27",""
"2022268","12.6384","0.0005","7.9259","0.0003","17.5249","0.0008","90","","99.845","0.0017","90","","1729.63","0.12","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bedaqulinium benzoate 1.166-hydrate","[4-(6-Bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylbutyl]dimethylazanium benzoate hydrate","","- C39 H39.34 Br N2 O5.17 -","- C39 H39.332 Br N2 O5.166 -","- C78 H78.664 Br2 N4 O10.332 -","2","1","OV3143","Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.","Crystal structures of salts of bedaquiline","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013455","","","0.71073","MoKα","","0.0509","0.0318","","","0.0671","0.0725","","","","","","1.025","","","","has coordinates,has Fobs","258573","2020-10-23","04:36:29",""
"2022269","12.8661","0.0008","8.0386","0.0005","17.4704","0.001","90","","101.093","0.003","90","","1773.12","0.19","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bedaqulinium benzoate acetonitrile 0.742-solvate monohydrate","[4-(6-Bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylbutyl]dimethylazanium benzoate acetonitrile 0.742-solvate monohydrate","","- C40.48 H41.23 Br N2.74 O5 -","- C40.484 H41.226 Br N2.742 O5 -","- C80.968 H82.452 Br2 N5.484 O10 -","2","1","OV3143","Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.","Crystal structures of salts of bedaquiline","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013455","","","1.54178","CuKα","","0.0398","0.0347","","","0.0808","0.0847","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","258573","2020-10-23","04:36:31",""
"2022270","3.96521","0.00009","16.7005","0.0004","12.4252","0.0002","90","","91.185","0.002","90","","822.63","0.03","100","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>E</i>)-1-(2,4-Dichlorophenyl)- 3-[4-(morpholin-4-yl)phenyl]prop-2-en-1-one","","- C19 H17 Cl2 N O2 -","- C19 H17 Cl2 N O2 -","- C38 H34 Cl4 N2 O4 -","2","1","KY3199","Alsafi, Mona A.; Hughes, David L.; Said, Musa A.","First COVID-19 molecular docking with a chalcone-based compound: synthesis, single-crystal structure and Hirshfeld surface analysis study","Acta Crystallographica Section C Structural Chemistry","2020","76","12","","","10.1107/S2053229620014217","","x-ray","1.54184","CuKα","","0.0239","0.0237","","","0.0643","0.0644","","","","","","1.07","","","","has coordinates,has Fobs","258773","2020-11-06","05:08:35",""
"2022271","6.9363","0.0003","15.9791","0.0007","16.9786","0.0007","90.844","0.001","93.106","0.001","98.296","0.002","1858.93","0.14","109","2","109","2","","","","","","","","5","P -1","-P 1","2","HL-I-193-B-1","Poly[[undecaaquabis(μ-4,5-dioxo-4,5-dihydro-1<i>H</i>-pyrrolo[2,3-<i>f</i>]quinoline-2,7,9-tricarboxylato)tricalcium(II)] dihydrate]","","- C28 H32 Ca3 N4 O29 -","- C28 H32 Ca3 N4 O29 -","- C56 H64 Ca6 N8 O58 -","2","1","YO3076","Lumpe, Henning; Mayer, Peter; Daumann, Lena J.","Crystal structure of a calcium(II)‒pyrroloquinoline quinone (PQQ) complex outside a protein environment","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014278","","","0.71073","MoKα","","0.0389","0.0306","","","0.0683","0.0717","","","","","","1.04","","","","has coordinates,has Fobs","258774","2020-11-06","05:09:11",""
"2022272","8.6186","0.0007","12.25","0.001","13.5681","0.0011","90","","90","","90","","1432.5","0.2","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Trichloridobis(diethyl ether)oxidomolybdenum(V)","","- C8 H20 Cl3 Mo O3 -","- C8 H20 Cl3 Mo O3 -","- C32 H80 Cl12 Mo4 O12 -","4","1","EF3009","Shaw, Thomas E.; LeMagueres, Pierre; Sattelberger, Alfred P.; Jurca, Titel","Crystal structure and Hirshfeld surface analysis of the elusive trichlorobis(diethyl ether)oxomolybdenum(V)","Acta Crystallographica Section C","2020","76","10","947","951","10.1107/S2053229620011626","","","0.71073","MoKα","","0.0362","0.0327","","","0.0678","0.0692","","","","","","1.009","","","","has coordinates,has Fobs","259015","2020-11-06","22:58:30",""
"2022273","11.071","0.002","18.892","0.004","13.115","0.003","90","","123.29","0.03","90","","2292.9","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Z‒Gly‒Aib‒Gly‒Aib‒OH","<i>N</i>-(Benzoyloxycarbonyl)glycyl-α-aminoisobutyrylglycyl-α-aminoisobutyric acid","","- C20 H30 N4 O8 -","- C20 H30 N4 O8 -","- C80 H120 N16 O32 -","4","1","KU3268","Gessmann, Renate; Brückner, Hans; Petratos, Kyriacos","Removing the C-terminal protecting group enlarges the crystal size: Z‒(Gly‒Aib)~2~‒OH·H~2~O","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014254","","","1.54181","CuKα","","0.0394","0.0387","","","0.0998","0.1005","","","","","","1.041","","","","has coordinates,has Fobs","259056","2020-11-10","05:01:57",""
"2022274","19.3159","0.0008","15.0183","0.0005","19.6537","0.001","90","","90","","90","","5701.4","0.4","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","Mo6O19.H2TCPP.5H2O","5,10,15,20-Tetrakis(4-carboxyphenyl)-21<i>H</i>,22<i>H</i>,23<i>H</i>, \24<i>H</i>-porphine(2+) hexamolybdate(VI) pentahydrate","","- C48 H42 Mo6 N4 O32 -","- C48 H41 Mo6 N4 O32 -","- C192 H164 Mo24 N16 O128 -","4","0.5","ZO3009","Chen, Wen-Tong","Crystal structure and photophysical properties of a novel polyoxomolybdate porphyrin","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014461","","","0.71073","MoKα","","0.2046","0.0922","","","0.1374","0.1748","","","","","","1.007","","","","has coordinates,has Fobs","259057","2020-11-10","05:02:31",""
"2022275","11.0556","0.001","9.5218","0.0009","18.2923","0.0017","90","","100.732","0.003","90","","1891.9","0.3","298","2","298.42","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[[μ-bis(pyridin-4-yl)amine-κ^2^<i>N</i>:<i>N</i>'](μ-naphthalene-2,6-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^6^)zinc(II)] 0.5-hydrate]","","- C22 H16 N3 O4.5 Zn -","- C22 H16 N3 O4.5 Zn -","- C88 H64 N12 O18 Zn4 -","4","1","QF3043","Zuo, Yuxiang; Yang, Jie; Chen, Cheng; Xue, Yun-Shan; Zhang, Jun","Assembly of two novel coordination polymers by selecting ditopic or chelating auxiliary ligands with naphthalene-2,6-dicarboxylic acid: synthesis, structure and luminescence sensing","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620015260","","","0.71073","MoKα","","0.0306","0.0252","","","0.0608","0.0629","","","","","","1.079","","","","has coordinates,has Fobs","259241","2020-11-25","05:09:51",""
"2022276","11.0642","0.0004","11.1234","0.0004","11.6697","0.0004","61.912","0.001","86.182","0.001","80.602","0.001","1249.97","0.08","150","2","149.94","","","","","","","","","5","P -1","-P 1","2","","Poly[(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(μ-naphthalene-2,6-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^6^)hemi(μ-naphthalene-2,6-\# dicarboxylic acid-κ^2^<i>O</i>^2^:<i>O</i>^6^)copper(II)]","","- C30 H22 Cu N2 O6 -","- C30 H22 Cu N2 O6 -","- C60 H44 Cu2 N4 O12 -","2","1","QF3043","Zuo, Yuxiang; Yang, Jie; Chen, Cheng; Xue, Yun-Shan; Zhang, Jun","Assembly of two novel coordination polymers by selecting ditopic or chelating auxiliary ligands with naphthalene-2,6-dicarboxylic acid: synthesis, structure and luminescence sensing","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620015260","","","0.71073","MoKα","","0.0352","0.0262","","","0.063","0.0646","","","","","","0.789","","","","has coordinates,has disorder,has Fobs","259241","2020-11-25","05:09:53",""
"2022277","13.574","0.003","13.829","0.003","14.657","0.003","79.013","0.006","87.544","0.009","83.381","0.008","2682.3","1","193.4","","193.4","","","","","","","","","3","P -1","-P 1","2","","(2<i>R</i>,3<i>S</i>)-1,2,3,4-Tetrahydronaphthalene-2,3-diyl bis[3,4,5-tris(benzyloxy)benzoate]","","- C66 H56 O10 -","- C66 H56 O10 -","- C132 H112 O20 -","2","1","OP3007","Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea","Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014916","","x-ray","0.71075","MoKα","","0.0961","0.0559","","","0.1182","0.1405","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","259242","2020-11-25","05:11:31",""
"2022278","12.147","0.008","20.697","0.013","12.702","0.009","90","","117.432","0.005","90","","2834","3","193.4","","193.4","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2<i>R</i>,3<i>S</i>)-1,2,3,4-Tetrahydronaphthalene-2,3-diyl bis(3,4,5-trimethoxybenzoate)","","- C30 H32 O10 -","- C30 H32 O10 -","- C120 H128 O40 -","4","1","OP3007","Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea","Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014916","","","0.71075","MoKα","","0.1139","0.0696","","","0.1431","0.1635","","","","","","1.154","","","","has coordinates,has Fobs","259242","2020-11-25","05:11:35",""
"2022279","30.399","0.01","9.176","0.003","14.994","0.005","90","","97.204","0.004","90","","4149","2","193.4","","193.4","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(2<i>R</i>,3<i>S</i>)-1,2,3,4-Tetrahydronaphthalene-2,3-diyl bis(3,4,5-trifluorobenzoate)","","- C24 H14 F6 O4 -","- C24 H14 F6 O4 -","- C192 H112 F48 O32 -","8","1","OP3007","Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea","Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014916","","","0.71075","MoKα","","0.0572","0.041","","","0.1111","0.1204","","","","","","1.006","","","","has coordinates,has Fobs","259242","2020-11-25","05:11:43",""
"2022280","10.239","0.004","13.056","0.005","23.923","0.009","86.992","0.011","89.198","0.01","73.621","0.006","3064","2","193.4","","193.4","","","","","","","","","3","P -1","-P 1","2","","(2<i>R</i>,3<i>S</i>)-1,2,3,4-Tetrahydronaphthalene-2,3-diyl bis[4-(benzyloxy)benzoate]","","- C38 H32 O6 -","- C38 H32 O6 -","- C152 H128 O24 -","4","2","OP3007","Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea","Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014916","","","0.71075","MoKα","","0.093","0.05","","","0.1153","0.1393","","","","","","0.993","","","","has coordinates,has Fobs","259242","2020-11-25","05:11:47",""
"2022281","9.033","0.003","6.427","0.002","37.08","0.014","90","","91.948","0.007","90","","2151.4","1.3","193.4","","193.4","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2<i>R</i>,3<i>S</i>)-1,2,3,4-Tetrahydronaphthalene-2,3-diyl bis(4-methoxybenzoate)","","- C26 H24 O6 -","- C26 H24 O6 -","- C104 H96 O24 -","4","1","OP3007","Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea","Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014916","","","0.71075","MoKα","","0.0487","0.0425","","","0.1099","0.1159","","","","","","1.044","","","","has coordinates,has Fobs","259242","2020-11-25","05:11:57",""
"2022282","23.308","0.01","7.132","0.003","27.253","0.009","90","","112.62","0.03","90","","4182","3","193.4","","193.4","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(2<i>R</i>,3<i>S</i>)-1,2,3,4-Tetrahydronaphthalene-2,3-diyl bis(2,4,6-trifluorobenzoate)","","- C24 H14 F6 O4 -","- C24 H14 F6 O4 -","- C192 H112 F48 O32 -","8","1","OP3007","Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea","Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014916","","","0.71075","MoKα","","0.062","0.0464","","","0.1131","0.1234","","","","","","1.134","","","","has coordinates,has Fobs","259242","2020-11-25","05:11:58",""
"2022283","13.5302","0.0004","4.6101","0.0001","19.3371","0.0006","90","","103.603","0.001","90","","1172.33","0.06","213","2","212.97","","","","","","","","","4","P 1 21 1","P 2yb","4","","(1<i>S</i>,4<i>R</i>,8a<i>R</i>)-13-Amino-1,15,16-trihydroxy-4-methoxy-12-methyl-3,4,8a,13-tetrahydro-1<i>H</i>-xantheno[4',3',2':4,5][1,3]benzodioxino[7,6-<i>g</i>]isoquinoline-14,17(2<i>H</i>,9<i>H</i>)-dione","","- C27 H24 N2 O9 -","- C27 H24 N2 O9 -","- C54 H48 N4 O18 -","2","1","JX3059","Ye, Wenkang; She, Weiyi; Sung, Herman H.-Y.; Qian, Peiyuan; Williams, Ian D.","Albofungin and chloroalbofungin: antibiotic crystals with 2D but not 3D isostructurality","Acta Crystallographica Section C","2020","76","12","1100","1107","10.1107/S2053229620015041","","","1.54178","CuKα","","0.0293","0.0277","","","0.0732","0.0746","","","","","","1.0723","","","","has coordinates,has disorder,has Fobs","259255","2020-11-26","05:08:43",""
"2022284","40.6637","0.0009","4.52749","0.00012","12.7049","0.0003","90","","98.027","0.002","90","","2316.11","0.1","100.01","0.1","100","","","","","","","","","5","C 1 2 1","C 2y","5","","(1<i>S</i>,4<i>R</i>,8a<i>R</i>)-13-Amino-11-chloro-1,15,16-trihydroxy-4-methoxy-12-methyl-3,4,8a,13-tetrahydro-1<i>H</i>-xantheno[4',3',2':4,5][1,3]benzodioxino[7,6-<i>g</i>]isoquinoline-14,17(2<i>H</i>,9<i>H</i>)-dione","","- C27 H23 Cl N2 O9 -","- C27 H23 Cl N2 O9 -","- C108 H92 Cl4 N8 O36 -","4","1","JX3059","Ye, Wenkang; She, Weiyi; Sung, Herman H.-Y.; Qian, Peiyuan; Williams, Ian D.","Albofungin and chloroalbofungin: antibiotic crystals with 2D but not 3D isostructurality","Acta Crystallographica Section C","2020","76","12","1100","1107","10.1107/S2053229620015041","","","1.54184","CuKα","","0.039","0.034","","","0.0798","0.0823","","","","","","1.017","","","","has coordinates,has Fobs","259255","2020-11-26","05:08:45",""
"2022285","13.6842","0.0005","8.5302","0.0003","8.9518","0.0003","90","","107.996","0.004","90","","993.81","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(3-fluorocyclobutylammonium) tetraiodidoplumbate(VI)","Poly[bis(3-fluorocyclobutylammonium) [di-μ-iodido-diiodidoplumbate(VI)]]","","- C8 H18 F2 I4 N2 Pb -","- C8 H18 F2 I4 N2 Pb -","- C16 H36 F4 I8 N4 Pb2 -","2","0.5","QF3046","Huang, Chao-Ran; Li, Peng-Fei; Luo, Xu-Zhong","A two-dimensional organic‒inorganic lead iodide perovskite: poly[bis(3-fluorocyclobutylammonium) [di-μ-iodido-diiodidoplumbate(VI)]]","Acta Crystallographica Section C","2020","76","12","1096","1099","10.1107/S2053229620015272","","","0.71073","MoKα","","0.0379","0.0321","","","0.0794","0.0815","","","","","","1.001","","","","has coordinates,has Fobs","259256","2020-11-26","05:09:15",""
"2022295","12.2768","0.0003","4.4829","0.0001","19.6694","0.0004","90","","90","","90","","1082.52","0.04","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(<i>E</i>)-4-Bromo-2-((phenylimino)methyl]phenol","","- C13 H10 Br N O -","- C13 H10 Br N O -","- C52 H40 Br4 N4 O4 -","4","1","YD3009","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","(<i>E</i>)-4-Bromo-2-[(phenylimino)methyl]phenol: a new polymorph and thermochromism","Acta Crystallographica Section C","2020","76","11","1001","1004","10.1107/S2053229620011560","","","0.71073","MoKα","","0.0236","0.0219","","","0.0518","0.0529","","","","","","1.054","","","","has coordinates,has Fobs","259635","2020-12-07","01:01:12",""
"2022296","25.8944","0.0013","6.9439","0.0004","6.1499","0.0004","90","","91.381","0.005","90","","1105.48","0.11","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>E</i>)-4-Bromo-2-((phenylimino)methyl]phenol","","- C13 H10 Br N O -","- C13 H10 Br N O -","- C52 H40 Br4 N4 O4 -","4","1","YD3009","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","(<i>E</i>)-4-Bromo-2-[(phenylimino)methyl]phenol: a new polymorph and thermochromism","Acta Crystallographica Section C","2020","76","11","1001","1004","10.1107/S2053229620011560","","","0.71073","MoKα","","0.042","0.039","","","0.0958","0.0995","","","","","","1.053","","","","has coordinates,has Fobs","259635","2020-12-07","01:01:15",""
"2022359","14.0601","0.0002","10.9903","0.0002","8.7228","0.0002","90","","97.16","","90","","1337.38","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-Methyl-<i>N</i>'-(morpholine-4-carbonothioyl)picolinohydrazonamide","6-Methyl-<i>N</i>'-[(morpholin-4-yl)carbothioylamino]pyridine-2-carboximidamide","","- C12 H17 N5 O S -","- C12 H17 N5 O S -","- C48 H68 N20 O4 S4 -","4","1","FM3063","Szczesio, Małgorzata; Gobis, Katarzyna; Korona-Głowniak, Izabela; Mazerant-Politowicz, Ida; Ziembicka, Dagmara; Foks, Henryk; Główka, Marek; Olczak, Andrzej","Synthesis, structure and biological activity of four new picolinohydrazonamide derivatives","Acta Crystallographica, Section C","2020","76","7","673","680","10.1107/S2053229620007822","","","1.54178","CuKα","","0.0287","0.0287","","","0.073","0.073","","","","","","1.035","","","","has coordinates","264471","2021-04-23","09:50:24",""
"2022360","6.8829","0.0002","11.8924","0.0003","19.0594","0.0005","90","","98.737","0.001","90","","1541.99","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6-Chloro-<i>N</i>'-(morpholine-4-carbonothioyl)picolinohydrazonamide methanol monosolvate","6-Chloro-<i>N</i>'-[(morpholin-4-yl)carbothioylamino]pyridine-2-carboximidamide methanol monosolvate","","- C12 H18 Cl N5 O2 S -","- C12 H18 Cl N5 O2 S -","- C48 H72 Cl4 N20 O8 S4 -","4","1","FM3063","Szczesio, Małgorzata; Gobis, Katarzyna; Korona-Głowniak, Izabela; Mazerant-Politowicz, Ida; Ziembicka, Dagmara; Foks, Henryk; Główka, Marek; Olczak, Andrzej","Synthesis, structure and biological activity of four new picolinohydrazonamide derivatives","Acta Crystallographica, Section C","2020","76","7","673","680","10.1107/S2053229620007822","","","1.54178","CuKα","","0.0254","0.0254","","","0.0688","0.0689","","","","","","1.084","","","","has coordinates,has Fobs","264472","2021-04-23","09:54:14",""
"2022361","11.2996","0.0003","9.387","0.0003","18.9935","0.0005","90","","101.8","0.001","90","","1972.05","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","6-Chloro-<i>N</i>'-(4-phenylpiperazine-1-carbonothioyl)picolinohydrazonamide","6-Chloro-N'-[(4-phenylpiperazin-1-yl)carbothioylamino]pyridine-2-carboximidamide","","- C17 H19 Cl N6 S -","- C17 H19 Cl N6 S -","- C68 H76 Cl4 N24 S4 -","4","1","FM3063","Szczesio, Małgorzata; Gobis, Katarzyna; Korona-Głowniak, Izabela; Mazerant-Politowicz, Ida; Ziembicka, Dagmara; Foks, Henryk; Główka, Marek; Olczak, Andrzej","Synthesis, structure and biological activity of four new picolinohydrazonamide derivatives","Acta Crystallographica, Section C","2020","76","7","673","680","10.1107/S2053229620007822","","","1.54178","CuKα","","0.0339","0.0332","","","0.087","0.0875","","","","","","1.024","","","","has coordinates,has Fobs","264473","2021-04-23","09:55:02",""
"2022362","3.77379","0.00004","5.63483","0.00004","32.9783","0.0002","90","","90","","90","","701.273","0.01","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-Chloropicolinohydrazonamide","<i>N</i>'-Amino-6-chloropyridine-2-carboximidamide","","- C6 H7 Cl N4 -","- C6 H7 Cl N4 -","- C24 H28 Cl4 N16 -","4","1","FM3063","Szczesio, Małgorzata; Gobis, Katarzyna; Korona-Głowniak, Izabela; Mazerant-Politowicz, Ida; Ziembicka, Dagmara; Foks, Henryk; Główka, Marek; Olczak, Andrzej","Synthesis, structure and biological activity of four new picolinohydrazonamide derivatives","Acta Crystallographica, Section C","2020","76","7","673","680","10.1107/S2053229620007822","","x-ray","1.54184","CuKα","","0.0208","0.0206","","","0.0563","0.0564","","","","","","1.081","","","","has coordinates,has Fobs","264474","2021-04-23","09:55:35",""
"2022636","10.5362","0.0009","9.4705","0.0006","20.3165","0.0017","90","","99.462","0.008","90","","1999.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cl2 N2 O4 -","- C20 H22 Cl2 N2 O4 -","- C80 H88 Cl8 N8 O16 -","4","1","VP3002","Khalilov, Leonard M.; Mescheryakova, Ekaterina S.; Bikmukhametov, Kamil Sh.; Makhmudiyarova, Natalia N.; Shangaraev, Kamil R.; Tulyabaev, Arthur R.","Twist-chair conformation of the tetraoxepane ring remains unchanged in tetraoxaspirododecane diamines","Acta Crystallographica, Section C: Structural Chemistry","2020","76","3","276","286","10.1107/S2053229620001382","","x-ray","0.71073","MoKα","","0.1008","0.0589","","","0.1543","0.1883","","","","","","0.97","","","","has coordinates,has Fobs","276701","2022-07-06","22:03:38",""
"2022637","18.9061","0.0006","11.4711","0.0004","8.7831","0.0003","90","","99.134","0.003","90","","1880.67","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F2 N2 O4 -","- C20 H22 F2 N2 O4 -","- C80 H88 F8 N8 O16 -","4","1","VP3002","Khalilov, Leonard M.; Mescheryakova, Ekaterina S.; Bikmukhametov, Kamil Sh.; Makhmudiyarova, Natalia N.; Shangaraev, Kamil R.; Tulyabaev, Arthur R.","Twist-chair conformation of the tetraoxepane ring remains unchanged in tetraoxaspirododecane diamines","Acta Crystallographica, Section C: Structural Chemistry","2020","76","3","276","286","10.1107/S2053229620001382","","x-ray","0.71073","MoKα","","0.0985","0.0544","","","0.1316","0.162","","","","","","1.031","","","","has coordinates,has Fobs","276702","2022-07-06","22:03:51",""
"2022638","12.9687","0.0013","10.0294","0.0008","14.5182","0.0015","90","","100.068","0.009","90","","1859.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 F2 N2 O4 -","- C20 H22 F2 N2 O4 -","- C80 H88 F8 N8 O16 -","4","1","VP3002","Khalilov, Leonard M.; Mescheryakova, Ekaterina S.; Bikmukhametov, Kamil Sh.; Makhmudiyarova, Natalia N.; Shangaraev, Kamil R.; Tulyabaev, Arthur R.","Twist-chair conformation of the tetraoxepane ring remains unchanged in tetraoxaspirododecane diamines","Acta Crystallographica, Section C: Structural Chemistry","2020","76","3","276","286","10.1107/S2053229620001382","","x-ray","0.71073","MoKα","","0.1544","0.0849","","","0.1986","0.235","","","","","","1.042","","","","has coordinates,has Fobs","276703","2022-07-06","22:04:04",""
"2022639","7.5679","0.0003","15.25","0.0007","17.5264","0.0007","90","","90","","90","","2022.73","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>,<i>N</i>'-(Cyclohexane-1,2-diylidene)bis(4-fluorobenzohydrazide) methanol monosolvate","","- C21 H22 F2 N4 O3 -","- C21 H22 F2 N4 O3 -","- C84 H88 F8 N16 O12 -","4","1","QF3037","OmarAli, Al-Ameen Bariz; Al-Karawi, Ahmed Jasim M.; Awad, Adil A.; Dege, Necmi; Kansız, Sevgi; Agar, Erbil; Hussein, Zaman Ahmed; Mohammed, Iman Rajab","Two new zinc(II) and mercury(II) complexes based on N,N'-(cyclohexane-1,2-diylidene)bis(4-fluorobenzohydrazide): synthesis, crystal structures and antibacterial activities","Acta Crystallographica, Section C: Structural Chemistry","2020","76","5","476","482","10.1107/S2053229620004994","","","0.71073","MoKα","","0.0967","0.0473","","","0.0953","0.111","","","","","","0.964","","","","has coordinates,has Fobs","276705","2022-07-06","22:25:09",""
"2022640","9.7682","0.0005","17.3071","0.0007","13.3524","0.0007","90","","105.165","0.004","90","","2178.74","0.19","296","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dichlorido[<i>N</i>,<i>N</i>'-(cyclohexane-1,2-diylidene)bis(4-fluorobenzohydrazide)-κ^2^<i>N</i>',<i>O</i>]zinc(II)","","- C20 H18 Cl2 F2 N4 O2 Zn -","- C20 H18 Cl2 F2 N4 O2 Zn -","- C80 H72 Cl8 F8 N16 O8 Zn4 -","4","1","QF3037","OmarAli, Al-Ameen Bariz; Al-Karawi, Ahmed Jasim M.; Awad, Adil A.; Dege, Necmi; Kansız, Sevgi; Agar, Erbil; Hussein, Zaman Ahmed; Mohammed, Iman Rajab","Two new zinc(II) and mercury(II) complexes based on N,N'-(cyclohexane-1,2-diylidene)bis(4-fluorobenzohydrazide): synthesis, crystal structures and antibacterial activities","Acta Crystallographica, Section C: Structural Chemistry","2020","76","5","476","482","10.1107/S2053229620004994","","","0.71073","MoKα","","0.1236","0.0773","","","0.1778","0.1988","","","","","","1.032","","","","has coordinates,has Fobs","276706","2022-07-06","22:25:22",""
"2022641","10.4902","0.0004","16.7227","0.0008","12.6827","0.0005","90","","102.769","0.003","90","","2169.83","0.16","296","","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Dichlorido[<i>N</i>,<i>N</i>'-(cyclohexane-1,2-diylidene)bis(4-fluorobenzohydrazide)-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']mercury(II)","","- C20 H18 Cl2 F2 Hg N4 O2 -","- C20 H18 Cl2 F2 Hg N4 O2 -","- C80 H72 Cl8 F8 Hg4 N16 O8 -","4","0.5","QF3037","OmarAli, Al-Ameen Bariz; Al-Karawi, Ahmed Jasim M.; Awad, Adil A.; Dege, Necmi; Kansız, Sevgi; Agar, Erbil; Hussein, Zaman Ahmed; Mohammed, Iman Rajab","Two new zinc(II) and mercury(II) complexes based on N,N'-(cyclohexane-1,2-diylidene)bis(4-fluorobenzohydrazide): synthesis, crystal structures and antibacterial activities","Acta Crystallographica, Section C: Structural Chemistry","2020","76","5","476","482","10.1107/S2053229620004994","","","0.71073","MoKα","","0.0273","0.0246","","","0.0606","0.0616","","","","","","1.076","","","","has coordinates,has Fobs","276707","2022-07-06","22:25:32",""
"2022642","4.3556","0.0002","12.8548","0.0004","25.9904","0.0009","90","","90","","90","","1455.21","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-({(<i>E</i>)-2-[(<i>E</i>)-2,6-Dichlorobenzylidene]hydrazin-1-ylidene}methyl)-6-methoxyphenol","","- C15 H12 Cl2 N2 O2 -","- C15 H12 Cl2 N2 O2 -","- C60 H48 Cl8 N8 O8 -","4","1","HB7915","Manawar, Rohit B.; Pashavan, Chandankumar T.; Shah, Manish K.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Crystal structures of two dis-symmetric di-Schiff base compounds: 2-({(E)-2-[(E)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)-6-methoxyphenol and 4-bromo-2-({(E)-2-[(E)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)phenol","Acta Crystallographica, Section E: Crystallographic Communications","2020","76","6","862","869","10.1107/S2056989020006416","","","0.71073","MoKα","","0.0576","0.0387","","","0.0902","0.0988","","","","","","1.017","","","","has coordinates,has Fobs","276709","2022-07-06","22:39:05",""
"2022643","16.451","0.0012","4.4314","0.0003","20.0523","0.0015","90","","90","","90","","1461.83","0.18","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","4-Bromo-2-({(<i>E</i>)-2-[(<i>E</i>)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)phenol","","- C14 H9 Br Cl2 N2 O -","- C14 H9 Br Cl2 N2 O -","- C56 H36 Br4 Cl8 N8 O4 -","4","1","HB7915","Manawar, Rohit B.; Pashavan, Chandankumar T.; Shah, Manish K.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Crystal structures of two dis-symmetric di-Schiff base compounds: 2-({(E)-2-[(E)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)-6-methoxyphenol and 4-bromo-2-({(E)-2-[(E)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)phenol","Acta Crystallographica, Section E: Crystallographic Communications","2020","76","6","862","","10.1107/S2056989020006416","","","0.71073","MoKα","","0.0917","0.0378","","","0.0662","0.0824","","","","","","0.995","","","","has coordinates,has Fobs","276710","2022-07-06","22:39:18",""
"2022644","9.3193","0.0005","12.7525","0.0007","15.7294","0.0008","68.712","0.005","74.217","0.005","76.098","0.005","1655.12","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","4-[(1<i>E</i>)-({[(Benzylsulfanyl)methanethioyl]amino}imino)methyl]benzene-1,3-diol chloroform hemisolvate","","- C31 H29 Cl3 N4 O4 S4 -","- C31 H29 Cl3 N4 O4 S4 -","- C62 H58 Cl6 N8 O8 S8 -","2","1","HB7919","Khairuanuar, Nadia Liyana; Crouse, Karen A.; Kwong, Huey Chong; Tan, Sang Loon; Tiekink, Edward R. T.","4-[(1E)-({[(Benzylsulfanyl)methanethioyl]amino}imino)methyl]benzene-1,3-diol chloroform hemisolvate: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica, Section E: Crystallographic Communications","2020","76","7","990","997","10.1107/S2056989020007070","","","1.54178","CuKα","","0.0627","0.0506","","","0.1271","0.1362","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","276712","2022-07-06","22:47:39",""
"2108566","18.6212","0.0001","28.4622","0.0002","29.1642","0.0002","90","","93.4511","0.0006","90","","15429","0.17","95","","95","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Sodium Saccharinate 1.875-Hydrate","Sodium Saccharinate 1.875-Hydrate","","- C7 H7.75 N Na O4.875 S -","- C7 H7.57861 N Na O4.875 S -","- C448 H485.031 N64 Na64 O312 S64 -","64","16","","Rekis, Toms; Schönleber, Andreas; van Smaalen, Sander","On the puzzling case of sodium saccharinate 1.875-hydrate: structure description in (3+1)-dimensional superspace","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619014938","","x-ray","0.56089","AgKα","","0.0787","0.0477","","","0.0509","0.0547","","","","1.8","1.8","1.57","","","","has coordinates,has Fobs","245373","2020-10-21","18:00:00",""
"2108567","18.6212","0.0001","7.11555","0.00005","29.1642","0.0002","90","","93.4511","0.0006","90","","3857.25","0.04","95","","95","","","","","","","","","6","C 1 2/n 1","-C 2yac","15","Sodium Saccharinate 1.875-Hydrate","Sodium Saccharinate 1.875-Hydrate","","- C7 H4 N Na O4.875 S -","- C7 H4 N Na O4.875 S -","- C112 H64 N16 Na16 O78 S16 -","16","2","","Rekis, Toms; Schönleber, Andreas; van Smaalen, Sander","On the puzzling case of sodium saccharinate 1.875-hydrate: structure description in (3+1)-dimensional superspace","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619014938","","x-ray","0.56089","AgKα","","0.0851","0.0539","","","0.0618","0.0651","","","","2.17","2.17","1.87","","","","has coordinates,has Fobs","245373","2020-10-21","18:00:00",""
"2108568","15.0288","0.0005","5.3086","0.0002","24.444","0.0008","90","","99.133","0.002","90","","1925.47","0.12","100","","99.96","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-1-(1H-pyrrol-2-yl)-3-(thiophen-2-yl)prop-2-en-1-one","","- C11 H9 N O S -","- C11 H9 N O S -","- C88 H72 N8 O8 S8 -","8","2","","Sweeting, Stephen G.; Hall, Charlie L.; Potticary, Jason; Pridmore, Natalie E.; Warren, Stephen D.; Cremeens, Matthew E.; D'Ambruoso, Gemma D.; Matsumoto, Masaomi; Hall, Simon R.","The solubility and stability of heterocyclic chalcones compared with <i>trans</i>-chalcone","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619015907","","","0.71073","MoKα","","0.0505","0.0365","","","0.0856","0.0923","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","245374","2020-10-21","18:00:00",""
"2108569","14.896","0.002","14.896","0.002","16.0338","0.001","90","","90","","120","","3081.1","0.6","293","","293","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Cd41 Ir8 -","- Cd41 Ir8 -","- Cd123 Ir24 -","3","0.166667","DK5085","Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim","Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619015488","","x-ray","0.7107","MoKα","","0.0386","0.0314","","","0.0748","0.0806","","","","1.09","1.09","1.08","","","","has coordinates,has Fobs","246864","2020-10-21","18:00:00",""
"2108570","19.9445","0.0015","19.9445","0.0015","19.9445","0.0015","90","","90","","90","","7933.6","1","293","","293","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Cd86.45 Cu7.147 Ir7.318 -","- Cd86.442 Cu7.148 Ir7.32 -","- Cd345.768 Cu28.592 Ir29.28 -","4","0.0416667","DK5085","Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim","Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619015488","","x-ray","0.71073","MoKα","","0.0315","0.0286","","","0.0614","0.0624","","","","1.42","1.42","1.39","","","","has coordinates,has Fobs","246864","2020-10-21","18:00:00",""
"2108571","19.922","0.011","19.922","0.011","19.922","0.011","90","","90","","90","","7907","8","293","","293","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Cd86.366 Cu7.584 Ir6.698 -","- Cd86.32 Cu7.63 Ir6.7 -","- Cd345.28 Cu30.52 Ir26.8 -","4","0.0416667","DK5085","Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim","Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619015488","","x-ray","0.7107","MoKα","","0.0466","0.0334","","","0.0612","0.0658","","","","1.13","1.13","1.11","","","","has coordinates,has Fobs","246864","2020-10-21","18:00:00",""
"2108572","19.785","0.0008","19.785","0.0008","19.785","0.0008","90","","90","","90","","7744.8","0.5","293","","293","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Cd81.199 Cu15.659 Ir5.873 -","- Cd81.206 Cu15.652 Ir5.872 -","- Cd324.824 Cu62.608 Ir23.488 -","4","0.0416667","DK5085","Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim","Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619015488","","x-ray","0.7107","MoKα","","0.0388","0.0309","","","0.0551","0.0577","","","","1.12","1.12","1.1","","","","has coordinates,has Fobs","246864","2020-10-21","18:00:00",""
"2108573","19.8332","0.0014","19.8332","0.0014","19.8332","0.0014","90","","90","","90","","7801.5","1","293","","293","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Cd81.64 Cu15.796 Ir5.306 -","- Cd81.65 Cu15.786 Ir5.304 -","- Cd326.6 Cu63.144 Ir21.216 -","4","0.0416667","DK5085","Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim","Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619015488","","x-ray","0.7107","MoKα","","0.0339","0.0265","","","0.0525","0.0557","","","","1.09","1.09","1.09","","","","has coordinates,has Fobs","246864","2020-10-21","18:00:00",""
"2108574","19.7041","0.0008","19.7041","0.0008","19.7041","0.0008","90","","90","","90","","7650.1","0.5","293","","293","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Cd80.144 Cu17.218 Ir5.638 -","- Cd80.126 Cu17.234 Ir5.64 -","- Cd320.504 Cu68.936 Ir22.56 -","4","0.0416667","DK5085","Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim","Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619015488","","x-ray","0.71073","MoKα","","0.0364","0.0254","","","0.0533","0.0556","","","","1.24","1.24","1.2","","","","has coordinates,has Fobs","246864","2020-10-21","18:00:00",""
"2108575","8.1928","0.0006","5.4539","0.0005","20.07","0.05","90","","91.47","0.04","90","","896","2","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzocaine","4-aminobenzoic acid ethyl ester","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619016548","","x-ray","0.71073","MoKα","","0.1218","0.061","","","0.1485","0.1681","","","","","","0.962","","","","has coordinates,has Fobs","246904","2020-10-21","18:00:00",""
"2108576","8.24","0.03","5.4015","0.0009","19.519","0.003","90","","91.55","0.06","90","","868","3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzocaine","4-aminobenzoic acid ethyl ester","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619016548","","x-ray","0.71073","MoKα","","0.073","0.0438","","","0.1085","0.1308","","","","","","1.163","","","","has coordinates,has Fobs","246904","2020-10-21","18:00:00",""
"2108577","6.305","0.001","5.1839","0.0004","24.94","0.08","90","","96.25","0.08","90","","810","3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzocaine","4-aminobenzoic acid ethyl ester","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619016548","","x-ray","0.71073","MoKα","","0.0712","0.0627","","","0.1584","0.1717","","","","","","1.062","","","","has coordinates,has Fobs","246904","2020-10-21","18:00:00",""
"2108578","6.3679","0.0008","5.1671","0.0006","24.58","0.08","90","","96.25","0.06","90","","804","3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzocaine","4-aminobenzoic acid ethyl ester","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619016548","","x-ray","0.71073","MoKα","","0.0626","0.0435","","","0.097","0.1044","","","","","","1.164","","","","has coordinates,has Fobs","246904","2020-10-21","18:00:00",""
"2108579","6.341","0.0007","5.1594","0.0005","24.52","0.06","90","","96.05","0.05","90","","798","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzocaine","4-aminobenzoic acid ethyl ester","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619016548","","x-ray","0.71073","MoKα","","0.0615","0.0426","","","0.1053","0.1209","","","","","","1.076","","","","has coordinates,has Fobs","246904","2020-10-21","18:00:00",""
"2108580","8.171","0.013","5.3995","0.0009","19.515","0.003","90","","92","0.04","90","","860.5","1.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzocaine","4-aminobenzoic acid ethyl ester","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619016548","","x-ray","0.71073","MoKα","","0.1521","0.0867","","","0.2331","0.2772","","","","","","1.102","","","","has coordinates,has Fobs","246904","2020-10-21","18:00:00",""
"2108581","6.3608","0.0008","5.183","0.0007","24.75","0.05","90","","96.66","0.05","90","","810.5","1.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzocaine","4-aminobenzoic acid ethyl ester","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619016548","","x-ray","0.71073","MoKα","","0.1703","0.091","","","0.2073","0.2603","","","","","","1.157","","","","has coordinates,has Fobs","246904","2020-10-21","18:00:00",""
"2108582","6.3399","0.0008","5.1789","0.0006","24.8","0.07","90","","96.58","0.06","90","","809","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzocaine","4-aminobenzoic acid ethyl ester","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619016548","","x-ray","0.71073","MoKα","","0.1348","0.0931","","","0.2298","0.2797","","","","","","1.164","","","","has coordinates,has Fobs","246904","2020-10-21","18:00:00",""
"2108583","11.3756","0.0003","11.5611","0.0003","14.0894","0.0004","73.533","0.002","67.176","0.003","60.845","0.003","1481.18","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H44 N30 O32 V10 -","- C30 H44 N30 O32 V10 -","- C30 H44 N30 O32 V10 -","1","0.5","BM5122","Sedghiniya, Sima; Soleimannejad, Janet; Jahani, Zohreh; Davoodi, Jamshid; Janczak, Jan","Crystal engineering of an adenine‒decavanadate molecular device towards label-free chemical sensing and biological screening","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619016196","","","0.71073","MoKα","","0.0584","0.0385","","","0.0878","0.0964","","","","","","1","","","","has coordinates,has Fobs","247185","2020-10-21","18:00:00",""
"2108584","8.7958","0.0002","7.5909","0.0002","10.8134","0.0003","90","","104.722","0.001","90","","698.29","0.03","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10-oxa-4-azatricyclo[5.2.1.0^{2,6}^]dec-8-ene-3,5-dione","","- C8 H7 N O3 -","- C8 H7 N O3 -","- C32 H28 N4 O12 -","4","1","","Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof","Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620001304","","","0.71073","MoKα","","0.0309","0.0245","","","0.0567","0.0578","","","","","","1.28","","","","has coordinates,has Fobs","249318","2020-10-21","18:00:00",""
"2108585","8.74","0.002","10.989","0.002","9.736","0.002","90","","90.75","0.03","90","","935","0.3","100","0.2","100","0.02","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","","Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof","Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620001304","","","0.71073","MoKα","","0.0183","0.0169","","","0.0401","0.0404","","","","","","1.77","","","","has coordinates,has Fobs","249318","2020-10-21","18:00:00",""
"2108586","7.8898","0.0006","8.5729","0.0006","14.2922","0.0011","88.333","0.006","89.646","0.007","73.099","0.007","924.56","0.12","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","2","","Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof","Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620001304","","","0.71073","MoKα","","0.038","0.0297","","","0.0595","0.0622","","","","","","1.328","","","","has coordinates,has Fobs","279947","2022-12-20","10:58:45",""
"2108587","11.6065","0.0004","7.3059","0.0003","20.0511","0.0008","90","","99.977","0.004","90","","1674.54","0.11","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N O4 -","- C9 H9 N O4 -","- C72 H72 N8 O32 -","8","2","","Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof","Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620001304","","","0.71073","MoKα","","0.0534","0.0359","","","0.0623","0.2423","","","","","","1.869","","","","has coordinates,has Fobs","279947","2022-12-20","10:58:45",""
"2108588","11.2998","0.0018","25.77","0.003","9.3086","0.0012","90","","111.894","0.016","90","","2515.1","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 Cu N6 O12 -","- C24 H14 Cu N6 O12 -","- C96 H56 Cu4 N24 O48 -","4","1","","Torres, Juan F.; Bello-Vieda, Nestor J.; Macías, Mario A.; Rabelo, Renato; Lloret, Francisco; Muñoz-Castro, Alvaro; Hurtado, John J.","Intermolecular interaction energies and magnetic properties of spin-isolated multinuclear Cu^II^ complexes","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620001225","","","0.71073","MoKα","","0.0623","0.0485","","","0.1187","0.1331","","","","","","1.041","","","","has coordinates,has Fobs","249321","2020-10-21","18:00:00",""
"2108589","11.285","0.003","26.65","0.003","9.4293","0.0017","90","","111.31","0.02","90","","2641.9","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H28 Cu2 N12 O24 -","- C52 H28 Cu2 N12 O24 -","- C104 H56 Cu4 N24 O48 -","2","0.5","","Torres, Juan F.; Bello-Vieda, Nestor J.; Macías, Mario A.; Rabelo, Renato; Lloret, Francisco; Muñoz-Castro, Alvaro; Hurtado, John J.","Intermolecular interaction energies and magnetic properties of spin-isolated multinuclear Cu^II^ complexes","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620001225","","","0.71073","MoKα","","0.0782","0.0552","","","0.1321","0.1476","","","","","","1.006","","","","has coordinates,has Fobs","249321","2020-10-21","18:00:00",""
"2108590","16.3296","0.0002","16.3759","0.0004","31.1186","0.0005","90","","90","","90","","8321.5","0.3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,4<i>S</i>,6<i>R</i>,6<i>aS</i>,7<i>R</i>, 7<i>aR</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,11<i>S</i>,11<i>aR</i>, 12<i>R</i>,12<i>aR</i>,13<i>R</i>,14<i>S</i>)-1-ethyl-4,8,9,11,11a-pentahydroxy -6,10,13-trimethoxy-3-(methoxymethyl)tetradecahydro-2<i>H</i>-3,6a,12- (epiethane[1,1,2]triyl)-7, 9-methanonaphtho[2,3-<i>b</i>]azocin-1-ium chloride monohydrate","","- C25 H44 Cl N O10 -","- C25 H44 Cl N O10 -","- C300 H528 Cl12 N12 O120 -","12","3","RM5026","Li, Han-qing; Xu, Jia-yin; Gao, Yuan-yuan; Jin, Liang; Chen, Jian-ming; Chen, Feng-zheng","Supramolecular structure, <i>in vivo</i> biological activities and molecular-docking-based potential cardiotoxic exploration of aconine hydrochloride monohydrate as a novel salt form","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620001250","","x-ray","0.71073","MoKα","","0.0538","0.0431","","","0.098","0.1033","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","249434","2020-10-21","18:00:00",""
"2108591","10.946","0.002","12.502","0.003","13.029","0.003","70.34","0.03","79.99","0.03","73.06","0.03","1600.5","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H50 Cu N6 O7 -","- C28 H50 Cu N6 O7 -","- C56 H100 Cu2 N12 O14 -","2","1","","Shin, Jong Won; Jeong, Ah Rim; Kim, Younghak; Kim, Dae-Woong; Lee, Sang-Geul; Lee, Hyosun; Moon, Dohyun","Solvent-triggered single-crystal-to-single-crystal transformation from a monomeric to polymeric copper(II) complex based on an aza macrocyclic ligand","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620002371","","","0.61","synchrotron","","0.0599","0.0526","","","0.1647","0.1705","","","","","","1.103","","","","has coordinates,has Fobs","249568","2020-10-21","18:00:00",""
"2108592","11.386","0.002","14.063","0.003","21.427","0.004","90","","90","","90","","3430.9","1.1","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H52 Cu N6 O6 -","- C30 H52 Cu N6 O6 -","- C120 H208 Cu4 N24 O24 -","4","0.5","","Shin, Jong Won; Jeong, Ah Rim; Kim, Younghak; Kim, Dae-Woong; Lee, Sang-Geul; Lee, Hyosun; Moon, Dohyun","Solvent-triggered single-crystal-to-single-crystal transformation from a monomeric to polymeric copper(II) complex based on an aza macrocyclic ligand","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620002371","","","0.61","synchrotron","","0.0795","0.0507","","","0.1639","0.1782","","","","","","1.068","","","","has coordinates,has Fobs","249568","2020-10-21","18:00:00",""
"2108593","10.2989","0.0002","14.3586","0.0003","14.5679","0.0003","115.521","0.008","103.49","0.009","100.116","0.01","1794.4","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H80 O46 -","- C60 H80 O46 -","- C60 H80 O46 -","1","0.5","","Balakrishnan, C.; Manonmani, M.; Rafi Ahamed, S.; Vinitha, G.; Meenakshisundaram, S. P.; Sockalingam, R. M.","Supramolecular cocrystals of O—H···O hydrogen-bonded 18-crown-6 with isophthalic acid derivatives: Hirshfeld surface analysis and third-order nonlinear optical properties","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620001821","","","0.71073","MoKα","","0.0648","0.0414","","","0.1106","0.1297","","","","","","1.041","","","","has coordinates,has Fobs","249569","2020-10-21","18:00:00",""
"2108594","7.5073","0.0009","8.0208","0.0009","14.723","0.0016","77.133","0.004","79.494","0.004","84.408","0.004","848.29","0.17","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H40 O20 -","- C30 H40 O20 -","- C30 H40 O20 -","1","0.5","","Balakrishnan, C.; Manonmani, M.; Rafi Ahamed, S.; Vinitha, G.; Meenakshisundaram, S. P.; Sockalingam, R. M.","Supramolecular cocrystals of O—H···O hydrogen-bonded 18-crown-6 with isophthalic acid derivatives: Hirshfeld surface analysis and third-order nonlinear optical properties","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620001821","","","0.71073","MoKα","","0.0601","0.047","","","0.1215","0.1396","","","","","","1.08","","","","has coordinates,has Fobs","249569","2020-10-21","18:00:00",""
"2108595","17.475","0.009","8.051","0.002","14.19","0.005","90","","109.91","0.05","90","","1877.1","1.4","120","0.2","120","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 Mg N6 O10 S2 -","- C34 H44 Mg N6 O10 S2 -","- C68 H88 Mg2 N12 O20 S4 -","2","0.5","RM5029","Abouhakim, Hanane; Nilsson Lill, Sten O.; Quayle, Michael J.; Norberg, Stefan T.; Hassanpour, Ali; Pask, Christopher M.","The crystal structure, morphology and mechanical properties of diaquabis(omeprazolate)magnesium dihydrate","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620001249","","x-ray","1.54184","CuKα","","0.2299","0.1496","","","0.3519","0.4164","","","","","","1.072","","","","has coordinates,has Fobs","249654","2020-10-21","18:00:00",""
"2108596","11.67","0.007","11.4666","0.0012","8.494","0.004","90","","106.848","0.014","90","","1087.8","0.8","300","","300","","","","100","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N4 O5 -","- C10 H8 N4 O5 -","- C40 H32 N16 O20 -","4","1","","Dudek, Marta K.; Paluch, Piotr; Pindelska, Edyta","Crystal structures of two furazidin polymorphs revealed by a joint effort of crystal structure prediction and NMR crystallography","Acta Crystallographica Section B","2020","76","3","","","10.1107/S205252062000373X","powder diffraction","x-ray","1.5405","CuKα","","","","","","0.09592","","0.04496","","0.306","","","","","","","has coordinates","250840","2020-10-21","18:00:00",""
"2108597","22.183","0.022","12.546","0.007","5.3092","0.0016","51.074","0.003","92.16","0.03","97.31","0.11","1138.5","1.4","300","","300","","","","100","","","","","4","P -1","-P 1","2","","","","- C20 H16 N8 O10 -","- C20 H16 N8 O10 -","- C40 H32 N16 O20 -","2","1","","Dudek, Marta K.; Paluch, Piotr; Pindelska, Edyta","Crystal structures of two furazidin polymorphs revealed by a joint effort of crystal structure prediction and NMR crystallography","Acta Crystallographica Section B","2020","76","3","","","10.1107/S205252062000373X","powder diffraction","x-ray","1.5405","CuKα","","","","","","0.1323","","0","","10.274","","","","","","","has coordinates,has Fobs","250840","2020-10-21","18:00:00",""
"2108598","3.82563","0.00022","6.50848","0.0002","15.2148","0.00051","89.522","0.0077","91.9447","0.0085","101.226","0.0054","371.37","0.03","298","","298","","","","","","","","","4","P -1","-P 1","2","2-monomethyl-quinacridone; Pigment Red 192","2-methyl-5,12-dihydrochino[2,3-b]acridine-7,14-dione","","- C21 H14 N2 O2 -","- C21 H14 N2 O2 -","- C21 H14 N2 O2 -","1","0.5","","Schlesinger, Carina; Hammer, Sonja M.; Gorelik, Tatiana E.; Schmidt, Martin U.","Orientational disorder of monomethyl-quinacridone investigated by Rietveld refinement, structure refinement to the pair distribution function and lattice-energy minimizations","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620003984","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.515488","1.061","","","","","","","has coordinates,has Fobs","251888","2020-10-21","18:00:00",""
"2108599","6.7352","0.0004","14.8514","0.0008","23.3648","0.0013","90","","94.735","0.004","90","","2329.1","0.2","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 F4 Si2 -","- C24 H22 F4 Si2 -","- C96 H88 F16 Si8 -","4","1","","Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia","Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004424","","","1.54178","CuKα","","0.0641","0.0623","","","0.1733","0.1745","","","","","","1.05","","","","has coordinates","252088","2020-10-21","18:00:00",""
"2108600","6.905","0.0014","14.948","0.003","23.66","0.005","90","","94.82","0.03","90","","2433.5","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 F4 Si2 -","- C24 H22 F4 Si2 -","- C96 H88 F16 Si8 -","4","1","RA5074","Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia","Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004424","","x-ray","0.72932","synchrotron","","0.0739","0.048","","","0.1264","0.148","","","","","","1.019","","","","has coordinates,has Fobs","252089","2020-10-21","18:00:00",""
"2108601","8.602","0.0017","10.085","0.002","11.209","0.002","115.07","0.03","102.61","0.03","98.82","0.03","825.6","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H50 Si2 -","- C36 H50 Si2 -","- C36 H50 Si2 -","1","0.5","","Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia","Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004424","","x-ray","0.72932","synchrotron","","0.0395","0.0386","","","0.1151","0.1162","","","","","","1.059","","","","has coordinates,has Fobs","252089","2020-10-21","18:00:00",""
"2108602","7.2923","0.0003","23.44","0.002","12.75","0.0011","90","","106.337","0.008","90","","2091.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl N2 O3 Re -","- C21 H20 Cl N2 O3 Re -","- C84 H80 Cl4 N8 O12 Re4 -","4","1","XK5069","Kia, Reza; Kalaghchi, Azadeh","Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004333","","","1.54184","CuKα","","0.0233","0.0214","","","0.0522","0.0534","","","","","","1.043","","","","has coordinates,has Fobs","252090","2020-10-21","18:00:00",""
"2108603","8.2294","0.0004","36.355","0.002","8.1035","0.0007","90","","105.614","0.007","90","","2334.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24.4 Cl N2 O3 Re -","- C23 H24.4 Cl N2 O3 Re -","- C92 H97.6 Cl4 N8 O12 Re4 -","4","1","","Kia, Reza; Kalaghchi, Azadeh","Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004333","","","0.71073","MoKα","","0.0713","0.0647","","","0.1072","0.1093","","","","","","1.451","","","","has coordinates,has disorder,has Fobs","252090","2020-10-21","18:00:00",""
"2108604","9.998","0.003","30.878","0.0015","8.209","0.0005","90","","98.497","0.012","90","","2506.5","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Cl N2 O3 Re -","- C25 H28 Cl N2 O3 Re -","- C100 H112 Cl4 N8 O12 Re4 -","4","1","","Kia, Reza; Kalaghchi, Azadeh","Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004333","","","0.71073","MoKα","","0.0509","0.0365","","","0.0565","0.0596","","","","","","1.177","","","","has coordinates,has Fobs","252090","2020-10-21","18:00:00",""
"2108605","13.0248","0.0005","21.7653","0.0012","10.421","0.004","90","","90","","90","","2954.2","1.2","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H36 Cl N2 O3 Re -","- C29 H36 Cl N2 O3 Re -","- C116 H144 Cl4 N8 O12 Re4 -","4","0.5","","Kia, Reza; Kalaghchi, Azadeh","Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004333","","","0.71073","MoKα","","0.0322","0.0246","","","0.0475","0.0502","","","","","","1.045","","","","has coordinates,has Fobs","252090","2020-10-21","18:00:00",""
"2108606","7.8461","0.0013","20.359","0.003","29.189","0.005","90","","94.612","0.003","90","","4647.5","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H32 N8 O8 S2 Zn2 -","- C52 H32 N8 O8 S2 Zn2 -","- C208 H128 N32 O32 S8 Zn8 -","4","1","","Shi, Zhi-Qiang; Ji, Ning-Ning; Hu, Hai-Liang","A new Zn^II^ metallocryptand with unprecedented diflexure helix induced by V-shaped diimidazole building blocks","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004217","","","0.71073","MoKα","","0.0577","0.0403","","","0.1133","0.1207","","","","","","1.061","","","","has coordinates,has Fobs","252091","2020-10-21","18:00:00",""
"2108607","22.486","0.002","8.8585","0.0009","8.3874","0.0008","90","","96.221","0.003","90","","1660.9","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 O4 -","- C36 H58 O4 -","- C72 H116 O8 -","2","0.5","","Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D.","Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004102","","","0.71073","MoKα","","0.1083","0.0685","","","0.133","0.1432","","","","","","1.254","","","","has coordinates,has Fobs","252092","2020-10-21","18:00:00",""
"2108608","8.554","0.002","8.6844","0.0017","9.81","0.003","100.26","0.02","109.1","0.03","100.53","0.02","654.5","0.3","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H38 O6 -","- C28 H38 O6 -","- C28 H38 O6 -","1","0.5","","Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D.","Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004102","","","0.71073","MoKα","","0.1305","0.0693","","","0.1457","0.1826","","","","","","0.986","","","","has coordinates,has Fobs","252092","2020-10-21","18:00:00",""
"2108609","11.304","0.002","10.064","0.002","14.496","0.003","90","","107.822","0.01","90","","1570","0.5","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","2","","Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D.","Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004102","","","0.71073","MoKα","","0.0815","0.063","","","0.1641","0.1786","","","","","","1.029","","","","has coordinates,has Fobs","252092","2020-10-21","18:00:00",""
"2108610","13.1","0.0007","7.6709","0.0003","15.2881","0.0007","90","","110.181","0.005","90","","1441.97","0.12","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D.","Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620004102","","","0.71073","MoKα","","0.0936","0.0499","","","0.1135","0.1321","","","","","","1.024","","","","has coordinates,has Fobs","252092","2020-10-21","18:00:00",""
"2108611","9.8106","0.0001","10.5345","0.0001","10.4312","0.0001","90","","91.787","0.001","90","","1077.54","0.018","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Methyl-3-[(tetrahydro-2H-pyran-2-yl) oxy] thiazole-2(3H)-thione","","- C9 H13 N O2 S2 -","- C9 H13 N O2 S2 -","- C36 H52 N4 O8 S8 -","4","1","","Vénosová, Barbora; Koziskova, Julia; Kožíšek, Jozef; Herich, Peter; Lušpai, Karol; Petricek, Vaclav; Hartung, Jens; Müller, Mike; Hübschle, Christian B.; van Smaalen, Sander; Bucinsky, Lukas","Charge density of 4-methyl-3-[(tetrahydro-2<i>H</i>-pyran-2-yl)oxy]thiazole-2(3<i>H</i>)-thione. A comprehensive multipole refinement, maximum entropy method and density functional theory study","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620005533","","","0.56083","AgKα","","0.041","0.014","","","","0.017","","","","","","1.865","","","","has coordinates","252272","2020-10-21","18:00:00",""
"2108612","5.696","0.0001","5.696","0.0001","31.6796","0.0002","90","","90","","90","","1027.83","0.03","295","","295","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","","","- Mo O6 Pr2 -","- Mo O6 Pr2 -","- Mo8 O48 Pr16 -","8","0.5","","Voronkova, Valentina I.; Antipin, Alexander M.; Sorokin, Timofei A.; Novikova, Nataliya E.; Kharitonova, Elena P.; Orlova, Ekaterina I.; Kvartalov, Vladimir B.; Presniakov, Mikhail Yu.; Bondarenko, Vladimir I.; Vasiliev, Alexander L.; Sorokina, Nataliya I.","Synthesis, structure and properties of layered Pr~2~MoO~6~-based oxymolybdates doped with Mg","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620005740","","x-ray","0.71073","MoKα","","0.0093","0.009","","","0.0132","0.0134","","","","1.07","1.07","1.07","","","","has coordinates,has Fobs","252309","2020-10-21","18:00:00",""
"2108613","5.6979","0.0001","5.6979","0.0001","31.7012","0.0002","90","","90","","90","","1029.21","0.03","295","0.1","295","","","","","","","","","4","I -4 c 2","I -4 -2c","120","","","","- Mg0.026 Mo0.974 O5.94 Pr2 -","- Mg0.026 Mo0.974 O5.94 Pr2 -","- Mg0.208 Mo7.792 O47.52 Pr16 -","8","0.5","","Voronkova, Valentina I.; Antipin, Alexander M.; Sorokin, Timofei A.; Novikova, Nataliya E.; Kharitonova, Elena P.; Orlova, Ekaterina I.; Kvartalov, Vladimir B.; Presniakov, Mikhail Yu.; Bondarenko, Vladimir I.; Vasiliev, Alexander L.; Sorokina, Nataliya I.","Synthesis, structure and properties of layered Pr~2~MoO~6~-based oxymolybdates doped with Mg","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620005740","","x-ray","0.71073","MoKα","","0.0361","0.0114","","","0.0136","0.016","","","","1.17","1.17","1","","","","has coordinates,has Fobs","252309","2020-10-21","18:00:00",""
"2108614","5.027","0.0008","14.047","0.002","9.263","0.001","90","","102.29","0.01","90","","639.11","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","potassium copper aluminium phosphate","potassium copper aluminium bis(phosphate)","","- Al Cu K O8 P2 -","- Al Cu K O8 P2 -","- Al4 Cu4 K4 O32 P8 -","4","1","","Yakubovich, Olga; Kiriukhina, Galina; Shvanskaya, Larisa; Volkov, Anatoliy; Dimitrova, Olga","Joint crystallization of KCuAl[PO~4~]~2~ and K(Al,Zn)~2~[(P,Si)O~4~]~2~: crystal chemistry and mechanism of formation of phosphate-silicate epitaxial heterostructure","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620005715","","","0.71073","MoKα","","0.0556","0.0485","","","0.0905","0.093","","","","","","1.229","","","","has coordinates,has Fobs","252310","2020-10-21","18:00:00",""
"2108615","13.234","0.001","13.121","0.001","8.6581","0.0008","90","","100.14","0.01","90","","1479.9","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","potassium zinc aluminium phosphate-silicate","potassium zinc aluminium bis(phosphate-silicate)","","- Al3 K2 O16 P3 Si Zn -","- Al3 K2 O16 P3 Si Zn -","- Al12 K8 O64 P12 Si4 Zn4 -","4","0.5","","Yakubovich, Olga; Kiriukhina, Galina; Shvanskaya, Larisa; Volkov, Anatoliy; Dimitrova, Olga","Joint crystallization of KCuAl[PO~4~]~2~ and K(Al,Zn)~2~[(P,Si)O~4~]~2~: crystal chemistry and mechanism of formation of phosphate-silicate epitaxial heterostructure","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620005715","","","0.71073","MoKα","","0.0689","0.0588","","","0.0928","0.096","","","","","","1.293","","","","has coordinates,has Fobs","252310","2020-10-21","18:00:00",""
"2108616","17.3785","0.0009","15.9864","0.0008","13.5477","0.001","90","","90","","90","","3763.8","0.4","293","5","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Ca2 H14 O23 P2 U3 -","- Ca2 H14 O23 P2 U3 -","- Ca16 H112 O184 P16 U24 -","8","1","","Plášil, Jakub; Kiefer, Boris; Ghazisaeed, Seyedat; Philippo, Simon","Hydrogen bonding in the crystal structure of phurcalite, Ca~2~[(UO~2~)~3~O~2~(PO~4~)~2~]·7H~2~O: single-crystal X-ray study and TORQUE calculations","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620005739","","x-ray","0.71073","MoKα","","0.0803","0.042","","","0.0647","0.0742","","","","1.31","1.31","1.22","","","","has coordinates,has Fobs","252370","2020-10-21","18:00:00",""
"2108617","19.8621","0.0006","19.8621","0.0006","19.8621","0.0006","90","","90","","90","","7835.7","0.4","296","2","296","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ga105.3 Mg69.48 Ni48 -","- Ga105.296 Mg69.48 Ni48 -","- Ga210.592 Mg138.96 Ni96 -","2","0.0104167","","Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Rozdzynska-Kielbik, Beata; Cichowicz, Grzegorz; Cyranski, Michał K.; Chumak, Ihor; Ehrenberg, Helmut","New cubic cluster phases in the Mg‒Ni‒Ga system","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006423","","","0.71073","MoKα","","0.0519","0.0303","","","0.0697","0.0779","","","","","","1.055","","","","has coordinates,has Fobs","254052","2020-10-21","18:00:00",""
"2108618","11.4886","0.0017","11.4886","0.0017","11.4886","0.0017","90","","90","","90","","1516.4","0.4","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ga8 Mg24 Ni16 -","- Ga8 Mg24 Ni16 -","- Ga16 Mg48 Ni32 -","2","0.0104167","","Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Rozdzynska-Kielbik, Beata; Cichowicz, Grzegorz; Cyranski, Michał K.; Chumak, Ihor; Ehrenberg, Helmut","New cubic cluster phases in the Mg‒Ni‒Ga system","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006423","","","0.71073","MoKα","","0.0202","0.018","","","0.0421","0.0426","","","","","","1.468","","","","has coordinates,has Fobs","254052","2020-10-21","18:00:00",""
"2108619","9.8441","0.0008","10.8561","0.0009","13.5205","0.0012","90","","96.728","0.002","90","","1435","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 N2 O5 -","- C13 H22 N2 O5 -","- C52 H88 N8 O20 -","4","1","","Li, Zihan; Yang, Pengpeng; Liu, Haodong; Liu, Jun; Zhu, Sha; Li, Xiaojie; Zhuang, Wei; Wu, Jinglan; Ying, Hanjie","Crystal forms and phase transformation of 1,5-pentanediamine-terephthalate: a bio-based nylon 5T monomer","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006265","","","0.71073","MoKα","","0.0695","0.0457","","","0.119","0.136","","","","","","1.022","","","","has coordinates,has Fobs","254053","2020-10-21","18:00:00",""
"2108620","8.2881","0.0009","9.5302","0.0008","10.6708","0.0011","113.46","0.004","105.99","0.003","99.162","0.002","707.87","0.13","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H20 N2 O4 -","- C13 H20 N2 O4 -","- C26 H40 N4 O8 -","2","1","","Li, Zihan; Yang, Pengpeng; Liu, Haodong; Liu, Jun; Zhu, Sha; Li, Xiaojie; Zhuang, Wei; Wu, Jinglan; Ying, Hanjie","Crystal forms and phase transformation of 1,5-pentanediamine-terephthalate: a bio-based nylon 5T monomer","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006265","","","0.71073","MoKα","","0.1039","0.0548","","","0.1197","0.1388","","","","","","1.037","","","","has coordinates,has Fobs","254053","2020-10-21","18:00:00",""
"2108621","10.1294","0.0007","12.2011","0.0009","14.243","0.0011","82.035","0.004","74.232","0.003","79.373","0.003","1657.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Diaqua-bis(pyridine-2-carboxamide-N,O)-nickel(ii) bis(2,6-pyridinedicarboxylato)-nickel(ii) 4.67-hydrate","","- C26 H31.34 N6 Ni2 O16.67 -","- C26 H31.34 N6 Ni2 O16.67 -","- C52 H62.68 N12 Ni4 O33.34 -","2","1","","Chahkandi, Mohammad; Keivanloo Shahrestanaki, Abolfazl; Mirzaei, Masoud; Nawaz Tahir, Muhammad; Mague, Joel T.","Crystal and molecular structure of [Ni{2-H~2~NC(=O)C~5~H~4~N}~2~(H~2~O)~2~][Ni{2,6-(O~2~C)~2~C~5~H~3~N}~2~]·4.67H~2~O; DFT studies on hydrogen bonding energies in the crystal","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006472","","","0.71073","MoKα","","0.0612","0.0406","","","0.1015","0.1126","","","","","","1.025","","","","has coordinates,has Fobs","254171","2020-10-21","18:00:00",""
"2108622","13.7828","0.0009","13.7828","0.0009","7.3148","0.0005","90","","90","","120","","1203.39","0.14","80","1","80","1","","","","","","","","6","P 63/m","-P 6c","176","","","","- C3 H18 F9 Gd O18 S3 -","- C3 H18 F9 Gd O18 S3 -","- C6 H36 F18 Gd2 O36 S6 -","2","0.166667","","Janicki, Rafał; Starynowicz, Przemysław","Analysis of charge density in nonaaquagadolinium(III) trifluoromethanesulfonate ‒ insight into Gd^III^—OH~2~ bonding","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006903","","x-ray","0.71073","MoKα","","0.012","0.009","","","","0.023","","","","","","1.837","","","","has coordinates","254172","2020-10-21","18:00:00",""
"2108623","15.0062","0.0003","8.582","0.0001","13.3243","0.0003","89.984","0.002","91.447","0.002","90.002","0.001","1715.4","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Ag2 N3 S16 -","- C23 H16 Ag2 N3 S16 -","- C46 H32 Ag4 N6 S32 -","2","1","","Foury-Leylekian, Pascale; Ilakovac, Vita; Fertey, Pierre; Baledent, Victor; Milat, Ognjen; Miyagawa, Kazuya; Kanoda, Kazushi; Hiramatsu, Takaaki; Yoshida, Yukihiro; Saito, Gunzi; Alemany, Pere; Canadell, Enric; Tomic, Silvia; Pouget, Jean-Paul","New insights into the structural properties of κ-(BEDT-TTF)~2~Ag~2~(CN)~3~ spin liquid","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620005545","","x-ray","0.6717","synchrotron","","0.0564","0.0451","","","0.0734","0.075","","","","2.82","2.82","2.54","","","","has coordinates,has Fobs","254173","2020-10-21","18:00:00",""
"2108624","15.0831","0.0003","8.6447","0.0001","13.4755","0.0003","90.012","0.002","91.364","0.002","89.998","0.001","1756.56","0.06","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Ag2 N3 S16 -","- C23 H16 Ag2 N3 S16 -","- C46 H32 Ag4 N6 S32 -","2","1","","Foury-Leylekian, Pascale; Ilakovac, Vita; Fertey, Pierre; Baledent, Victor; Milat, Ognjen; Miyagawa, Kazuya; Kanoda, Kazushi; Hiramatsu, Takaaki; Yoshida, Yukihiro; Saito, Gunzi; Alemany, Pere; Canadell, Enric; Tomic, Silvia; Pouget, Jean-Paul","New insights into the structural properties of κ-(BEDT-TTF)~2~Ag~2~(CN)~3~ spin liquid","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620005545","","x-ray","0.6717","synchrotron","","0.0577","0.047","","","0.0656","0.0672","","","","2.67","2.67","2.41","","","","has coordinates,has Fobs","254173","2020-10-21","18:00:00",""
"2108625","8.21","0.004","6.33","0.002","17.277","0.009","90","","102.41","0.019","90","","876.9","0.7","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C44 H34 F8 N2 O2 -","2","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0601","0.0514","","","","0.1441","","","","","","1.127","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108626","9.705","0.003","13.476","0.003","13.843","0.004","90","","101.159","0.011","90","","1776.2","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C88 H68 F16 N4 O4 -","4","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71075","MoKα","","0.0667","0.0487","","","","0.1347","","","","","","1.07","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108627","9.642","0.002","13.292","0.002","13.931","0.003","90","","99.89","0.009","90","","1758.9","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C88 H68 F16 N4 O4 -","4","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0408","0.0372","","","","0.1099","","","","","","1.11","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108628","8.317","0.003","6.0774","0.0019","17.513","0.006","90","","103.095","0.013","90","","862.2","0.5","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C44 H34 F8 N2 O2 -","2","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0453","0.0448","","","","0.1219","","","","","","1.056","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108629","13.366","0.0013","11.6008","0.001","30.052","0.003","90","","130.787","0.003","90","","3528.1","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C176 H136 F32 N8 O8 -","8","2","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.048","0.0403","","","","0.1037","","","","","","1.054","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108630","22.323","0.008","13.499","0.005","11.828","0.005","90","","98.459","0.017","90","","3525","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C176 H136 F32 N8 O8 -","8","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.094","0.0567","","","","0.1371","","","","","","0.953","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108631","36.448","0.011","6.1171","0.0018","16.087","0.004","90","","102.193","0.007","90","","3505.8","1.7","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C176 H136 F32 N8 O8 -","8","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0831","0.0524","","","","0.1454","","","","","","1.048","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108632","16.559","0.002","17.595","0.002","6.1048","0.0009","90","","90","","90","","1778.7","0.4","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C88 H68 F16 N4 O4 -","4","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0496","0.0438","","","","0.1058","","","","","","1.073","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108633","9.445","0.006","21.293","0.011","9.59","0.006","90","","112.96","0.02","90","","1775.9","1.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C88 H68 F16 N4 O4 -","4","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0848","0.0717","","","","0.2162","","","","","","1.08","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108634","36.079","0.004","6.2372","0.0006","16.051","0.002","90","","104.627","0.006","90","","3494.9","0.7","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C176 H136 F32 N8 O8 -","8","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0477","0.0431","","","","0.1145","","","","","","1.045","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108635","17.468","0.003","6.2025","0.001","16.338","0.003","90","","92.208","0.009","90","","1768.8","0.5","100","","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C88 H68 F16 N4 O4 -","4","2","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.104","0.087","","","","0.235","","","","","","1.044","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108636","18.194","0.006","6.147","0.002","16.182","0.005","90","","104.903","0.011","90","","1748.9","1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C88 H68 F16 N4 O4 -","4","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71075","MoKα","","0.0982","0.0658","","","","0.1916","","","","","","1.072","","","","has coordinates","254276","2020-10-21","18:00:00",""
"2108637","7.6714","0.0011","7.1287","0.0009","16.428","0.002","90","","100.298","0.006","90","","883.9","0.2","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C44 H34 F8 N2 O2 -","2","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0444","0.0386","","","","0.0949","","","","","","1.098","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108638","16.643","0.003","6.1042","0.001","35.217","0.007","90","","90","","90","","3577.8","1.1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C176 H136 F32 N8 O8 -","8","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.1309","0.0901","","","","0.2574","","","","","","1.144","","","","has coordinates,has disorder,has Fobs","254276","2020-10-21","18:00:00",""
"2108639","12.287","0.002","11.3169","0.0016","22.191","0.004","90","","145.954","0.006","90","","1727.5","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C88 H68 F16 N4 O4 -","4","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0469","0.0402","","","","0.106","","","","","","1.048","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108640","12.947","0.003","10.4113","0.0018","22.59","0.005","90","","145.306","0.01","90","","1733.2","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C88 H68 F16 N4 O4 -","4","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0439","0.0404","","","","0.1141","","","","","","1.053","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108641","11.137","0.0001","11.8983","0.0002","15.127","","73.675","0.012","71.73","0.013","72.936","0.011","1779.74","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C88 H68 F16 N4 O4 -","4","2","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0529","0.0427","","","","0.1187","","","","","","1.047","","","","has coordinates","254276","2020-10-21","18:00:00",""
"2108642","10.6975","0.0007","13.2186","0.0004","13.6339","0.0002","68.667","0.014","80.428","0.018","81.09","0.02","1761.4","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C88 H68 F16 N4 O4 -","4","2","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0506","0.0407","","","","0.107","","","","","","1.045","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108643","11.322","0.002","12.437","0.002","20.012","0.003","90","","140.922","0.008","90","","1776.4","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C88 H68 F16 N4 O4 -","4","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0704","0.0549","","","","0.1459","","","","","","1.076","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108644","10.3744","0.0014","16.379","0.002","19.851","0.003","90","","90","","90","","3373.1","0.8","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N O -","- C22 H21 N O -","- C176 H168 N8 O8 -","8","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0497","0.0359","","","","0.0891","","","","","","1.017","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108645","15.5993","0.0008","49.062","0.002","15.6099","0.0008","90","","119.896","0.002","90","","10357","0.9","100","2","100","","","","","","","","","4","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","","","- C21 H16 N2 O4 -","- C21 H16 N2 O4 -","- C504 H384 N48 O96 -","24","6","DK5096","Nespolo, Massimo; Smaha, Rebecca W.; Parkin, Sean","Zero-obliquity twin lattice quasi-symmetry threefold twinning in 1-{(<i>R</i>)-1-[(3-oxo-2-isoindolinoyl)methyl]-2-propenyl}-5-methyl-2,3-indolinedione","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620008021","","x-ray","1.54178","CuKα","","0.0497","0.044","","","0.1138","0.1211","","","","","","1.08","","","","has coordinates,has Fobs","254334","2020-10-21","18:00:00",""
"2108646","7.2386","0.0003","9.3412","0.0003","11.1013","0.0004","90","","103.224","0.001","90","","730.73","0.05","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Al3 B4 O12 Sm -","- Al3 B4 O12 Sm -","- Al12 B16 O48 Sm4 -","4","0.5","","Oreshonkov, A. S.; Shestakov, N. P.; Molokeev, M. S.; Aleksandrovsky, A. S.; Gudim, I. A.; Temerov, V. L.; Adichtchev, S. V.; Pugachev, A. M.; Nemtsev, I. V.; Pogoreltsev, E. I.; Denisenko, Y. G.","Monoclinic SmAl~3~(BO~3~)~4~: synthesis, structural and spectroscopic properties","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620008781","","","0.71073","MoKα","","0.0261","0.0259","","","0.063","0.0631","","","","","","1.202","","","","has coordinates,has Fobs","254506","2020-10-21","18:00:00",""
"2108647","7.20378","0.00002","15.57492","0.00005","8.63406","0.00003","90","","90","","90","","968.727","0.005","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dieuropium tricalcium tetraborate","","- B4 Ca3 Eu2 O12 -","- B4 Ca2.9999 Eu2.0001 O12 -","- B16 Ca11.9996 Eu8.0004 O48 -","4","0.5","","Kosyl, Katarzyna M.; Paszkowicz, Wojciech; Shekhovtsov, Alexey N.; Kosmyna, Miron B.; Antonowicz, Jerzy; Olczak, Adam; Fitch, Andrew N.","Variation of cation distribution with temperature and its consequences on thermal expansion for Ca~3~Eu~2~(BO~3~)~4~","Acta Crystallographica Section B","2020","76","4","554","562","10.1107/S2052520620006757","powder diffraction","","0.400218","synchrotron","","","","","","","","","6.735","4.809","","","","","","","has coordinates","255153","2020-10-21","18:00:00",""
"2108648","9.3914","0.001","12.3034","0.001","3.0697","0.0006","90","","90","","90","","354.69","0.08","293","","293","","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- B Fe2.654 Mg0.346 O5 -","- B Fe2.65 Mg0.35 O5 -","- B4 Fe10.6 Mg1.4 O20 -","4","0.5","RA5077","Biryukov, Yaroslav P.; Zinnatullin, Almaz L.; Bubnova, Rimma S.; Vagizov, Farit G.; Shablinskii, Andrey P.; Filatov, Stanislav K.; Shilovskikh, Vladimir V.; Pekov, Igor V.","Investigation of thermal behavior of mixed-valent iron borates vonsenite and hulsite containing [O<i>M</i>~4~]<i>^n^</i>^+^ and [O<i>M</i>~5~]<i>^n^</i>^+^ oxocentred polyhedra by <i>in situ</i> high-temperature Mössbauer spectroscopy, X-ray diffraction and thermal analysis","Acta Crystallographica Section B","2020","76","4","543","553","10.1107/S2052520620006538","","x-ray","0.71069","MoKα","","0.0452","0.0362","","","0.0376","0.0388","","","","1.82","1.82","1.66","","","","has coordinates","255154","2020-10-21","18:00:00",""
"2108649","9.425","0.001","12.3528","0.001","3.0799","0.0006","90","","90","","90","","358.58","0.08","400","","400","","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- B Fe2.654 Mg0.346 O5 -","- B Fe2.6544 Mg0.3456 O5 -","- B4 Fe10.6176 Mg1.3824 O20 -","4","0.5","RA5077","Biryukov, Yaroslav P.; Zinnatullin, Almaz L.; Bubnova, Rimma S.; Vagizov, Farit G.; Shablinskii, Andrey P.; Filatov, Stanislav K.; Shilovskikh, Vladimir V.; Pekov, Igor V.","Investigation of thermal behavior of mixed-valent iron borates vonsenite and hulsite containing [O<i>M</i>~4~]<i>^n^</i>^+^ and [O<i>M</i>~5~]<i>^n^</i>^+^ oxocentred polyhedra by <i>in situ</i> high-temperature Mössbauer spectroscopy, X-ray diffraction and thermal analysis","Acta Crystallographica Section B","2020","76","4","543","553","10.1107/S2052520620006538","","x-ray","0.71069","MoKα","","0.0347","0.029","","","0.0316","0.0324","","","","1.6","1.6","1.48","","","","has coordinates","255154","2020-10-21","18:00:00",""
"2108650","6.30238","0.00004","9.05654","0.00005","11.22025","0.0001","90","","105.969","0.0005","90","","615.714","0.008","175","","175","","","","10","","","","","4","P 1 21/c 1","-P 2ybc","14","dimethyl sulfoxide dihydrate","hexadeutero-dimethyl sulfoxide dideuterate","","- C2 D10 O3 S -","- C2 D10 O3 S -","- C8 D40 O12 S4 -","4","1","","Fortes, A. D.; Ponsonby, J.; Kirichek, O.; García-Sakai, V.","On the crystal structures and phase transitions of hydrates in the binary dimethyl sulfoxide‒water system","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620008999","powder diffraction","neutron","","whitebeam","","","","","","","","0.0735","","1.7","","","","","","","has coordinates","255312","2020-10-21","18:00:00",""
"2108651","10.266194","0.00003","7.01113","0.000021","10.068968","0.000029","90","","101.503","0.0002","90","","710.183","0.004","195","","195","","","","10","","","","","4","P 1 21/c 1","-P 2ybc","14","dimethyl sulfoxide trihydrate","hexadeutero-dimethyl sulfoxide trideuterate","","- C2 D12 O4 S -","- C2 D12 O4 S -","- C8 D48 O16 S4 -","4","1","","Fortes, A. D.; Ponsonby, J.; Kirichek, O.; García-Sakai, V.","On the crystal structures and phase transitions of hydrates in the binary dimethyl sulfoxide‒water system","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620008999","powder diffraction","neutron","","whitebeam","","","","","","","","0.0824","","1.39","","","","","","","has coordinates","255312","2020-10-21","18:00:00",""
"2108652","5.6035","0.0005","5.6035","0.0005","5.6035","0.0005","90","","90","","90","","175.95","0.03","293","2","193","2","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Tsirelson, Vladimir; Stash, Adam","Orbital-free quantum crystallography: view on forces in crystals","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620009178","","","0.71073","MoKα","","0.0152","0.0152","","","0.0347","0.0347","","","","","","0.718","","","","has coordinates,has Fobs","255582","2020-10-21","18:00:00",""
"2108653","19.1124","0.0003","19.1124","0.0003","34.4165","0.0006","90","","90","","90","","12571.8","0.4","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- F120 Ga20 K60 -","- F120 Ga20 K60 -","- F480 Ga80 K240 -","4","0.25","","King, Graham","New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620009695","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","255583","2020-10-21","18:00:00",""
"2108654","13.6088","0.0004","13.6088","0.0004","8.6764","0.0003","90","","90","","90","","1606.86","0.09","","","","","","","","","","","","3","I 4/m","-I 4","87","","","","- F30 Ga5 K15 -","- F30 Ga5 K15 -","- F60 Ga10 K30 -","2","0.125","","King, Graham","New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620009695","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","255583","2020-10-21","18:00:00",""
"2108655","8.6649","0.0001","8.6649","0.0001","8.6649","0.0001","90","","90","","90","","650.565","0.013","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- F6 Ga K3 -","- F6 Ga K3 -","- F24 Ga4 K12 -","4","0.0208333","","King, Graham","New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620009695","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","255583","2020-10-21","18:00:00",""
"2108656","15.366","0.002","16.035","0.002","14.327","0.001","90","","91.21","0.01","90","","3529.3","0.7","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C29 H20 Br3 Mn O4 P2 S -","- C29 H20 Br3 Mn O4 P2 S -","- C116 H80 Br12 Mn4 O16 P8 S4 -","4","1","","Van der Maelen, Juan F.; Ceroni, Mario; Ruiz, Javier","The X-ray constrained wavefunction of the [Mn(CO)~4~{(C~6~H~5~)~2~P-S-C(Br~2~)-P(C~6~H~5~)~2~}]Br complex: a theoretical and experimental study of dihalogen bonds and other noncovalent interactions","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620009889","","x-ray","0.71073","MoKα","","0.084","0.0463","","","0.1149","0.1266","","","","","","0.992","","","","has coordinates,has Fobs","255736","2020-10-21","18:00:00",""
"2108657","21.91","0.02","21.91","0.02","25.44","0.03","90","","90","","90","","12212","2","100","","100","","","","","","","","","4","I 4 2 2","I 4 2","97","","","","- C260 H264 N24 O40 -","- C260 H264 N24 O40 -","- C520 H528 N48 O80 -","2","0.125","LO5072","Gilski, Miroslaw; Bernatowicz, Piotr; Sakowicz, Arkadiusz; Szymański, Marek P.; Zalewska, Aldona; Szumna, Agnieszka; Jaskólski, Mariusz","C~60~ in a peptidic cage: a case of symmetry mismatch studied by crystallography and solid-state NMR","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620009944","","","0.8266","synchrotron","","0.0889","0.0845","","","0.2386","0.2587","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","255737","2020-10-21","18:00:00",""
"2108658","12.741","0.0004","7.7542","0.0003","29.3961","0.0011","90","","98.6","0.001","90","","2871.57","0.18","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C120 H144 N16 O32 -","8","1","","Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G.","Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010343","","","0.71073","MoKα","","0.0735","0.0559","","","0.1191","0.1267","","","","","","1.087","","","","has coordinates,has Fobs","256342","2020-10-21","18:00:00",""
"2108659","7.3324","0.0009","29.277","0.003","7.4171","0.0008","90","","117.402","0.004","90","","1413.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C60 H72 N8 O16 -","4","1","","Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G.","Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010343","","","0.71073","MoKα","","0.0966","0.0763","","","0.1423","0.1502","","","","","","1.184","","","","has coordinates,has Fobs","256342","2020-10-21","18:00:00",""
"2108660","7.119","0.0002","7.2678","0.0003","15.0171","0.0006","78.012","0.001","82.182","0.001","66.007","0.001","693.2","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C30 H36 N4 O8 -","2","1","","Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G.","Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010343","","","0.71073","MoKα","","0.0492","0.0417","","","0.107","0.1118","","","","","","1.054","","","","has coordinates,has Fobs","256342","2020-10-21","18:00:00",""
"2108661","7.3901","0.0005","25.1748","0.0018","8.0438","0.0006","90","","108.992","0.003","90","","1415.04","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C60 H72 N8 O16 -","4","1","","Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G.","Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010343","","","0.71073","MoKα","","0.0587","0.0545","","","0.1215","0.1238","","","","","","1.146","","","","has coordinates,has Fobs","256342","2020-10-21","18:00:00",""
"2108662","13.1277","0.0019","13.977","0.002","17.802","0.003","80.629","0.005","82.485","0.005","62.419","0.005","2850.8","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C120 H144 N16 O32 -","8","4","","Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G.","Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010343","","","0.71073","MoKα","","0.0795","0.0653","","","0.1404","0.1467","","","","","","1.162","","","","has coordinates,has disorder,has Fobs","256342","2020-10-21","18:00:00",""
"2108663","8.0548","0.0006","10.7806","0.0008","13.7195","0.0011","78.551","0.002","80.825","0.002","72.1629","0.0019","1105.28","0.15","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- Cl10 H20 Li4 O11 Ru2 -","- Cl10 H20 Li4 O11 Ru2 -","- Cl20 H40 Li8 O22 Ru4 -","2","1","","Mudiyanselage, Ranuri S Dissanayaka; Marshall, Madalynn; Kong, Tai; Xie, Weiwei","Li~4~Ru~2~OCl~10~·10H~2~O: crystal structure, magnetic properties and bonding interactions in ruthenium-oxo complexes","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010914","","","0.71073","MoKα","","0.0276","0.021","","","0.0437","0.0459","","","","","","1.062","","","","has coordinates,has Fobs","256761","2020-10-21","18:00:00",""
"2108664","14.279","0.0002","14.279","0.0002","19.7589","0.0004","90","","90","","120","","3488.9","0.1","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- K3 Mo6 Na Ni4 O24 -","- K3 Mo6 Na Ni4 O24 -","- K18 Mo36 Na6 Ni24 O144 -","6","0.166667","","Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.","Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010677","","","0.71073","MoKα","","0.0255","0.0237","","","0.0509","0.0514","","","","","","1.294","","","","has coordinates,has Fobs","256762","2020-10-21","18:00:00",""
"2108665","14.2719","0.0002","14.2719","0.0002","19.8063","0.0004","90","","90","","120","","3493.8","0.1","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- K2.51 Mo6 Na1.49 Ni4 O24 -","- K2.5134 Mo6 Na1.486 Ni4 O24 -","- K15.0804 Mo36 Na8.916 Ni24 O144 -","6","0.166667","","Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.","Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010677","","","0.71073","MoKα","","0.0155","0.0141","","","0.0327","0.0331","","","","","","1.162","","","","has coordinates,has Fobs","256762","2020-10-21","18:00:00",""
"2108666","14.4528","0.0002","14.4528","0.0002","19.8894","0.0003","90","","90","","120","","3597.96","0.09","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- K3 Mg4 Mo6 Na O24 -","- K3 Mg4 Mo6 Na O24 -","- K18 Mg24 Mo36 Na6 O144 -","6","0.166667","","Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.","Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010677","","","0.71073","MoKα","","0.0172","0.0151","","","0.0335","0.034","","","","","","1.196","","","","has coordinates,has Fobs","256762","2020-10-21","18:00:00",""
"2108667","14.4673","0.0005","14.4673","0.0005","19.9186","0.0009","90","","90","","120","","3610.5","0.2","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- K2.88 Mg4 Mo6 Na1.12 O24 -","- K2.8812 Mg4 Mo6 Na1.1188 O24 -","- K17.2872 Mg24 Mo36 Na6.7128 O144 -","6","0.166667","","Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.","Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010677","","","0.71073","MoKα","","0.0283","0.0209","","","0.0411","0.0438","","","","","","1.038","","","","has coordinates,has Fobs","256762","2020-10-21","18:00:00",""
"2108668","14.4638","0.0001","14.4638","0.0001","19.8369","0.0003","90","","90","","120","","3593.93","0.06","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- Co4 K3 Mo6 Na O24 -","- Co4 K3 Mo6 Na O24 -","- Co24 K18 Mo36 Na6 O144 -","6","0.166667","","Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.","Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010677","","","0.71073","MoKα","","0.0165","0.0148","","","0.0367","0.0372","","","","","","1.136","","","","has coordinates,has Fobs","256762","2020-10-21","18:00:00",""
"2108669","14.3541","0.0002","14.3541","0.0002","19.7338","0.0004","90","","90","","120","","3521.22","0.1","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- K3.11 Li0.89 Mg4 Mo6 O24 -","- K3.1126 Li0.888 Mg4 Mo6 O24 -","- K18.6756 Li5.328 Mg24 Mo36 O144 -","6","0.166667","","Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.","Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010677","","","0.71073","MoKα","","0.0217","0.0182","","","0.0406","0.0417","","","","","","1.061","","","","has coordinates,has Fobs","256762","2020-10-21","18:00:00",""
"2108670","7.014","0.003","8.361","0.003","14.389","0.005","90","","90","","90","","843.8","0.6","326","2","326","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C3 H8 N2 O6 P2 -","- C3 H8 N2 O6 P2 -","- C12 H32 N8 O24 P8 -","4","0.5","YB5027","Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A.","Crystal structures and phase transitions of imidazolium hypodiphosphates","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620011439","","","0.71073","MoKα","","0.048","0.035","","","0.095","0.1039","","","","","","1.095","","","","has coordinates,has disorder","256763","2020-10-21","18:00:00",""
"2108671","6.962","0.003","8.368","0.003","14.388","0.004","90","","90","","90","","838.2","0.5","291","2","291","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C3 H8 N2 O6 P2 -","- C3 H8 N2 O6 P2 -","- C12 H32 N8 O24 P8 -","4","0.5","YB5027","Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A.","Crystal structures and phase transitions of imidazolium hypodiphosphates","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620011439","","","0.71073","MoKα","","0.0456","0.0351","","","0.0865","0.0949","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","256763","2020-10-21","18:00:00",""
"2108672","13.673","0.002","8.396","0.002","14.317","0.003","90.57","0.02","90","","90","","1643.5","0.6","100","2","100","2","","","","","","","","5","P 21/n 1 1","-P 2xn","14","","","","- C3 H8 N2 O6 P2 -","- C3 H8 N2 O6 P2 -","- C24 H64 N16 O48 P16 -","8","2","YB5027","Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A.","Crystal structures and phase transitions of imidazolium hypodiphosphates","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620011439","","","0.71073","MoKα","","0.0411","0.0318","","","0.0774","0.0833","","","","","","1.042","","","","has coordinates,has Fobs","256763","2020-10-21","18:00:00",""
"2108673","8.966","0.002","8.966","0.002","15.462","0.004","90","","90","","90","","1243","0.5","110","2","110","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C6 H12 N4 O6 P2 -","- C6 H12 N4 O6 P2 -","- C24 H48 N16 O24 P8 -","4","0.5","YB5027","Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A.","Crystal structures and phase transitions of imidazolium hypodiphosphates","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620011439","","","0.71073","MoKα","","0.0326","0.0284","","","0.0631","0.0646","","","","","","1.084","","","","has coordinates,has Fobs","256763","2020-10-21","18:00:00",""
"2108674","6.49617","0.00009","7.41888","0.00018","23.587","0.0004","90","","92.9418","0.0013","90","","1135.26","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 F N3 O6 -","- C23 H26 F N3 O6 -","- C46 H52 F2 N6 O12 -","2","1","","Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J.","Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010896","","x-ray","1.54184","CuKα","","0.0388","0.037","","","0.1002","0.1031","","","","","","1.031","","","","has coordinates,has Fobs","256764","2020-10-21","18:00:00",""
"2108675","6.428","0.003","6.987","0.003","52.001","0.009","90","","90","","90","","2335.5","1.5","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 F N3 O8 -","- C23 H28 F N3 O8 -","- C92 H112 F4 N12 O32 -","4","1","","Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J.","Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010896","","x-ray","1.54184","CuKα","","0.1661","0.1428","","","0.3683","0.3967","","","","","","1.652","","","","has coordinates,has Fobs","256764","2020-10-21","18:00:00",""
"2108676","4.7535","0.0003","15.801","0.0006","29.855","0.0011","90","","90","","90","","2242.41","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 F N3 O8 -","- C23 H26 F N3 O8 -","- C92 H104 F4 N12 O32 -","4","1","","Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J.","Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010896","","x-ray","1.54184","CuKα","","0.0534","0.0418","","","0.1114","0.1216","","","","","","1.021","","","","has coordinates","256764","2020-10-21","18:00:00",""
"2108677","30.3989","0.0002","16.1024","0.00015","9.66944","0.00007","90","","90","","90","","4733.14","0.06","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C46 H54.5 F2 N6 O17.25 -","- C46 H54.5 F2 N6 O17.25 -","- C184 H218 F8 N24 O69 -","4","1","","Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J.","Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010896","","x-ray","1.54184","CuKα","","0.0454","0.0443","","","0.1322","0.1339","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","256764","2020-10-21","18:00:00",""
"2108678","16.78184","0.00017","15.47624","0.0002","19.5982","0.00018","90","","105.758","0.001","90","","4898.74","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H28 F N3 O10 -","- C23 H28 F N3 O10 -","- C184 H224 F8 N24 O80 -","8","4","","Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J.","Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010896","","x-ray","1.54184","CuKα","","0.0447","0.0431","","","0.1208","0.1234","","","","","","1.038","","","","has coordinates,has Fobs","256764","2020-10-21","18:00:00",""
"2108679","11.8817","0.0003","8.19277","0.00017","10.3237","0.0002","90","","101.597","0.0013","90","","984.43","0.04","293","","293","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Cu Ge9 O24 Sr5 -","- Cu Ge9 O24 Sr5 -","- Cu2 Ge18 O48 Sr10 -","2","0.5","","Klein, Holger; Kodjikian, Stéphanie; Philippe, Rémy; Ding, Lei; Colin, Claire V.; Darie, Céline; Bordet, Pierre","Three different Ge environments in a new Sr~5~CuGe~9~O~24~ phase synthesized at high pressure and high temperature","Acta Crystallographica Section B","2020","76","5","727","732","10.1107/S2052520620008914","powder diffraction","x-ray","1.54056","CuKα~1~","","0.0276","0.0272","","0.0299","0.0299","","","","1.55","","","","","","","has coordinates","258185","2020-10-21","18:00:00",""
"2108680","29.1612","0.0004","9.207","0.0001","4.7387","0.0001","90","","90","","90","","1272.28","0.03","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","L-ascorbic acid picolinic acid cocrystal","","- C12 H13 N O8 -","- C12 H13 N O8 -","- C48 H52 N4 O32 -","4","1","PX5026","Evtushenko, Diana N.; Arkhipov, Sergey G.; Fateev, Alexander V.; Izaak, Tatyana I.; Egorova, Lidia A.; Skorik, Nina A.; Vodyankina, Olga V.; Boldyreva, Elena V.","A cocrystal of <small>L</small>-ascorbic acid with picolinic acid: the role of O—H···O, N—H···O and C—H···O hydrogen bonds and <small>L</small>-ascorbic acid conformation in structure stabilization","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012421","","","0.71073","MoKα","","0.0351","0.0324","","","0.084","0.0863","","","","","","1.047","","","","has coordinates,has Fobs","258720","2020-11-04","05:00:56",""
"2108681","29.0583","0.0002","9.15479","0.00008","4.70223","0.00004","90","","90","","90","","1250.9","0.018","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","L-ascorbic acid picolinic acid cocrystal","","- C12 H13 N O8 -","- C12 H13 N O8 -","- C48 H52 N4 O32 -","4","1","","Evtushenko, Diana N.; Arkhipov, Sergey G.; Fateev, Alexander V.; Izaak, Tatyana I.; Egorova, Lidia A.; Skorik, Nina A.; Vodyankina, Olga V.; Boldyreva, Elena V.","A cocrystal of <small>L</small>-ascorbic acid with picolinic acid: the role of O—H···O, N—H···O and C—H···O hydrogen bonds and <small>L</small>-ascorbic acid conformation in structure stabilization","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012421","","","0.71073","MoKα","","0.0289","0.0276","","","0.0765","0.0778","","","","","","1.066","","","","has coordinates,has Fobs","258720","2020-11-04","05:00:57",""
"2108682","16.1681","0.0013","16.261","0.0013","13.7893","0.0011","90","","110.508","0.001","90","","3395.6","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[triaqua[μ~6~-3-(3,5-dicarboxylatophenoxy)phthalato]dizinc(II)]","","- C16 H12 O12 Zn2 -","- C16 H12 O12 Zn2 -","- C128 H96 O96 Zn16 -","8","1","","Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan","Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012834","","","0.71073","MoKα","","0.0238","0.0207","","","0.054","0.0554","","","","","","1.067","","","","has coordinates,has Fobs","259105","2020-11-12","05:12:35",""
"2108683","10.07","0.003","12.144","0.003","14.172","0.004","104.63","0.005","105.637","0.005","109.156","0.005","1461.6","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaqua[1,4-bis(1<it>H</it>-imidazol-1-yl)benzene][μ~4~-3-(3,5-dicarboxylatophenoxy)phthalato]dizinc(II)]","","- C28 H20 N4 O11 Zn2 -","- C28 H20 N4 O11 Zn2 -","- C56 H40 N8 O22 Zn4 -","2","1","","Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan","Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012834","","","0.71073","MoKα","","0.0834","0.0565","","","0.1455","0.1589","","","","","","0.993","","","","has coordinates,has Fobs","259105","2020-11-12","05:12:37",""
"2108684","7.8759","0.0008","8.0318","0.0008","20.59","0.002","86.441","0.002","88.986","0.001","72.182","0.002","1237.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaqua(μ-4,4'-bipyridine)[μ~5~-3-(3,5-dicarboxylatophenoxy)phthalato]dizinc(II)] monohydrate]","","- C26 H20 N2 O12 Zn2 -","- C26 H20 N2 O12 Zn2 -","- C52 H40 N4 O24 Zn4 -","2","1","","Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan","Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012834","","","0.71073","MoKα","","0.04","0.0319","","","0.073","0.0786","","","","","","1.043","","","","has coordinates,has Fobs","259105","2020-11-12","05:12:38",""
"2108685","11.2042","0.0004","11.2728","0.0005","11.7208","0.0004","109.537","0.001","97.561","0.001","110.368","0.001","1255.34","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[μ~7~-3-(3,5-dicarboxylatophenoxy)phthalato](1,10-phenanthroline)dicadmium(II)]","","- C28 H14 Cd2 N2 O9 -","- C28 H14 Cd2 N2 O9 -","- C56 H28 Cd4 N4 O18 -","2","1","","Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan","Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012834","","","0.71073","MoKα","","0.0247","0.0236","","","0.0597","0.0603","","","","","","1.141","","","","has coordinates,has Fobs","259105","2020-11-12","05:12:38",""
"2108686","9.2229","0.0008","12.2226","0.001","13.073","0.0011","112.261","0.005","106.134","0.005","97.765","0.006","1261.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[μ-aqua-(μ-4,4'-bipyridine)[μ~5~-3-(3-carboxy-5-carboxylatophenoxy)phthalato]-μ~3~-hydroxido-dinickel(II)]","","- C26 H18 N2 Ni2 O11 -","- C26 H18 N2 Ni2 O11 -","- C52 H36 N4 Ni4 O22 -","2","1","","Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan","Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012834","","","1.54178","CuKα","","0.0534","0.0486","","","0.1413","0.1456","","","","","","1.051","","","","has coordinates,has Fobs","259105","2020-11-12","05:12:39",""
"2108687","31.055","0.009","23.792","0.006","16.54","0.004","90","","94.255","0.005","90","","12187","6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[tetrakis[μ-1,4-bis(pyridin-4-yl)benzene]bis[μ~5~-3-(3,5-dicarboxylatophenoxy)phthalato]tetracobalt(II)] bis[1,4-bis(pyridin-4-yl)benzene]]","","- C128 H85 Co4 N12 O18 -","- C128 H84 Co4 N12 O18 -","- C512 H336 Co16 N48 O72 -","4","1","","Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan","Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012834","","","0.71073","MoKα","","0.1677","0.106","","","0.2474","0.28","","","","","","1","","","","has coordinates,has Fobs","259105","2020-11-12","05:12:39",""
"2108688","12.068","0.002","14.523","0.003","14.662","0.003","68.654","0.003","79.061","0.003","75.13","0.003","2300","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[μ-1,4-bis(pyridin-4-yl)benzene][μ-4-(3,5-dicarboxylatophenoxy)phthalato]dicobalt(II)]","","- C48 H32 Co2 N4 O10 -","- C48 H32 Co2 N4 O10 -","- C96 H64 Co4 N8 O20 -","2","1","","Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan","Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012834","","","0.71073","MoKα","","0.0657","0.0457","","","0.1368","0.1505","","","","","","1","","","","has coordinates,has Fobs","259105","2020-11-12","05:12:40",""
"2108689","7.4313","0.0001","9.6383","0.0001","29.8978","0.0003","90","","90","","90","","2141.43","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O2 -","- C26 H33 N O2 -","- C104 H132 N4 O8 -","4","1","","Korlyukov, Alexander A.; Vologzhanina, Anna V.; Trzybinski, Damian; Malinska, Maura; Wozniak, Krzysztof","Charge density analysis of abiraterone acetate","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013244","","x-ray","0.71073","MoKα","","0.0598","0.0555","","","0.1246","0.1268","","","","","","1.067","","","","has coordinates","259106","2020-11-12","05:13:46",""
"2108690","7.4313","0.0001","9.6383","0.0001","29.8978","0.0003","90","","90","","90","","2141.43","0.04","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","abiraterone acetate","17-(pyridin-3-yl)androsta-5,16-dien-3-yl acetate","","- C26 H33 N O2 -","- C26 H33 N O2 -","- C104 H132 N4 O8 -","4","1","","Korlyukov, Alexander A.; Vologzhanina, Anna V.; Trzybinski, Damian; Malinska, Maura; Wozniak, Krzysztof","Charge density analysis of abiraterone acetate","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013244","","","0.71073","MoKα","","0.043","0.04","","","","0.031","","","","","","1.58","","","","has coordinates,has Fobs","259106","2020-11-12","05:13:47",""
"2108691","3.959","0.002","13.453","0.007","3.969","0.002","90","","90","","90","","211.39","0.19","293","","293","","","","","","","","","4","I m m m","-I 2 2","71","","","","- B Bi4 I O7 -","- B Bi4 I O7 -","- B Bi4 I O7 -","1","0.0625","","Volkov, Sergey; Bubnova, Rimma; Krzhizhanovskaya, Maria; Galafutnik, Lydia","The first bismuth borate oxyiodide, Bi~4~BO~7~I: commensurate or incommensurate?","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012640","","x-ray","0.71073","MoKα","","0.1082","0.0325","","","0.0301","0.041","","","","1.39","1.39","1.1","","","","has coordinates,has Fobs","259107","2020-11-12","05:14:19",""
"2108692","5.558528","","7.837216","","5.547272","","90","","90","","90","","241.658","","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","Lanthanum calcium ferrite","Lanthanum calcium iron oxide","","- Ca0.1 Fe La0.9 O3 -","- Ca0.104583 Fe La0.895417 O3 -","- Ca0.418332 Fe4 La3.58167 O12 -","4","0.5","","Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph","Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013475","powder diffraction","x-ray","1.5406","CuKα~1+2~","","","","","","","","","0.0460144","1.60464","","","","","","","has coordinates","259224","2020-11-24","05:07:20",""
"2108693","5.506428","","7.77618","","5.529845","","90","","90","","90","","236.782","","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","Lanthanum calcium ferrite","Lanthanum calcium iron oxide","","- Ca0.4 Fe La0.6 O3 -","- Ca0.4 Fe La0.6 O3 -","- Ca1.6 Fe4 La2.4 O12 -","4","0.5","","Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph","Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013475","powder diffraction","x-ray","1.5406","CuKα~1+2~","","","","","","","","","0.036557","1.48223","","","","","","","has coordinates","259224","2020-11-24","05:07:25",""
"2108694","5.568011","","7.756535","","5.451495","","90","","90","","90","","235.442","","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","Neodymium calcium ferrite","Neodymium calcium iron oxide","","- Ca0.1 Fe Nd0.9 O3 -","- Ca0.1 Fe Nd0.9 O3 -","- Ca0.4 Fe4 Nd3.6 O12 -","4","0.5","","Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph","Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013475","powder diffraction","x-ray","1.5406","CuKα~1+2~","","","","","","","","","0.0425535","1.37614","","","","","","","has coordinates","259224","2020-11-24","05:07:28",""
"2108695","5.533425","","7.725984","","5.448728","","90","","90","","90","","232.939","","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","Neodymium calcium ferrite","Neodymium calcium iron oxide","","- Ca0.4 Fe Nd0.6 O3 -","- Ca0.396764 Fe Nd0.603236 O3 -","- Ca1.58706 Fe4 Nd2.41294 O12 -","4","0.5","","Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph","Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013475","powder diffraction","x-ray","1.5406","CuKα~1+2~","","","","","","","","","0.0111142","1.17277","","","","","","","has coordinates","259224","2020-11-24","05:07:37",""
"2108696","7.860187","","7.839117","","7.860187","","90","","89.7476","","90","","484.316","","0","","","","","","","","","","","4","P 1","P 1","1","Lanthanum calcium ferrite","Lanthanum calcium iron oxide","","- Ca0.12 Fe La0.88 O3 -","- Ca0.125 Fe La0.875 O3 -","- Ca Fe8 La7 O24 -","8","8","","Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph","Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013475","","","","","","","","","","","","","","","","","","","","","has coordinates","288219","2023-12-11","21:40:11",""
"2108697","5.570218","","7.839117","","5.545738","","90","","90","","90","","242.158","","0","","","","","","","","","","","4","P -1","-P 1","2","Lanthanum calcium ferrite","Lanthanum calcium iron oxide","","- Ca0.5 Fe La0.5 O3 -","- Ca0.5 Fe La0.5 O3 -","- Ca2 Fe4 La2 O12 -","4","2","","Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph","Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013475","","","","","","","","","","","","","","","","","","","","","has coordinates","288219","2023-12-11","21:40:11",""
"2108698","7.793071","","7.757502","","7.793071","","90","","88.7865","","90","","471.023","","0","","","","","","","","","","","4","P 1","P 1","1","Neodymium calcium ferrite","Neodymium calcium iron oxide","","- Ca0.12 Fe Nd0.88 O3 -","- Ca0.125 Fe Nd0.875 O3 -","- Ca Fe8 Nd7 O24 -","8","8","","Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph","Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013475","","","","","","","","","","","","","","","","","","","","","has coordinates","288219","2023-12-11","21:40:11",""
"2108699","5.56858","","7.757502","","5.451869","","90","","90","","90","","235.511","","0","","","","","","","","","","","4","P -1","-P 1","2","Neodymium calcium ferrite","Neodymium calcium iron oxide","","- Ca0.5 Fe Nd0.5 O3 -","- Ca0.5 Fe Nd0.5 O3 -","- Ca2 Fe4 Nd2 O12 -","4","2","","Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph","Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013475","","","","","","","","","","","","","","","","","","","","","has coordinates","288219","2023-12-11","21:40:11",""
"2108700","4.5226","0.0006","4.5226","0.0006","9.147","0.001","90","","90","","90","","187.09","0.04","296","1","296","1","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","Lanthanum telluride (1/1.933)","","- La Te1.933 -","- La Te1.933 -","- La2 Te3.866 -","2","0.125","","Poddig, Hagen; Doert, Thomas","Distorted Te nets in the modulated crystal structures of <i>RE</i>Te~1.94(1)~ (<i>RE</i> = La, Pr, Nd)","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013797","","x-ray","0.71073","MoKα","","0.0189","0.0189","","","0.0433","0.0433","","","","","","1.248","","","","has coordinates,has Fobs","259225","2020-11-24","05:09:23",""
"2108701","4.4535","0.0005","4.4535","0.0005","9.047","0.001","90","","90","","90","","179.44","0.03","296","1","296","1","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","Praseodymium telluride (1/1.942)","","- Pr Te1.942 -","- Pr Te1.942 -","- Pr2 Te3.884 -","2","0.125","","Poddig, Hagen; Doert, Thomas","Distorted Te nets in the modulated crystal structures of <i>RE</i>Te~1.94(1)~ (<i>RE</i> = La, Pr, Nd)","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013797","","x-ray","0.71073","MoKα","","0.0292","0.0292","","","0.0564","0.0564","","","","","","","","","","has coordinates,has Fobs","259225","2020-11-24","05:09:24",""
"2108702","4.4274","0.0006","4.4274","0.0006","9.029","0.001","90","","90","","90","","176.99","0.04","296","1","296","1","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","Neodymium telluride (1/1.923)","","- Nd Te1.923 -","- Nd Te1.923 -","- Nd2 Te3.846 -","2","0.125","","Poddig, Hagen; Doert, Thomas","Distorted Te nets in the modulated crystal structures of <i>RE</i>Te~1.94(1)~ (<i>RE</i> = La, Pr, Nd)","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013797","","x-ray","0.71073","MoKα","","0.0237","0.0237","","","0.042","0.042","","","","","","","","","","has coordinates,has Fobs","259225","2020-11-24","05:09:24",""
"2108703","8.1016","0.0019","18.473","0.004","9.04","0.02","90","","95.91","0.06","90","","1346","3","296","2","296","","140000","","140000","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C5 H3 N7 -","- C5 H3 N7 -","- C40 H24 N56 -","8","2","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.213","0.0587","","","0.0608","0.0884","","","","","","1.031","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:10",""
"2108704","8.089","0.007","18.4614","0.0016","9.074","0.009","90","","96.08","0.11","90","","1347.4","1.8","296","2","296","2","150000","","150000","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C5 H3 N7 -","- C5 H3 N7 -","- C40 H24 N56 -","8","2","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.112","0.0725","","","0.1984","0.2339","","","","","","1.098","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:12",""
"2108705","8.053","0.016","18.47","0.003","9.044","0.017","90","","95.4","0.2","90","","1339","4","296","2","296","2","200000","","200000","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C5 H3 N7 -","- C5 H3 N7 -","- C40 H24 N56 -","8","2","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.1426","0.0783","","","0.2018","0.2498","","","","","","1.057","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:12",""
"2108706","7.982","0.002","18.318","0.003","8.964","0.002","90","","95.08","0.02","90","","1305.5","0.5","296","2","296","2","540000","","540000","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C5 H3 N7 -","- C5 H3 N7 -","- C40 H24 N56 -","8","2","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.1195","0.0788","","","0.2108","0.2571","","","","","","1.073","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:12",""
"2108707","7.965","0.003","18.251","0.002","8.929","0.007","90","","94.85","0.06","90","","1293.4","1.1","296","2","296","2","650000","","650000","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C5 H3 N7 -","- C5 H3 N7 -","- C40 H24 N56 -","8","2","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.1483","0.0563","","","0.1204","0.1656","","","","","","0.999","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:13",""
"2108708","7.918","0.015","18.223","0.002","8.897","0.014","90","","94.6","0.2","90","","1280","3","296","2","296","2","770000","","770000","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C5 H3 N7 -","- C5 H3 N7 -","- C40 H24 N56 -","8","2","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.1114","0.0714","","","0.1981","0.231","","","","","","1.077","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:13",""
"2108709","7.897","0.002","18.1579","0.0018","8.874","0.005","90","","94.54","0.05","90","","1268.5","0.8","296","2","296","2","850000","","850000","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C5 H3 N7 -","- C5 H3 N7 -","- C40 H24 N56 -","8","2","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.112","0.0388","","","0.0543","0.0702","","","","","","0.98","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:13",""
"2108710","7.8356","0.0016","18.074","0.003","8.88","0.03","90","","94.24","0.07","90","","1254","4","296","2","296","2","1020000","","1020000","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C5 H3 N7 -","- C5 H3 N7 -","- C40 H24 N56 -","8","2","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.1858","0.0764","","","0.1475","0.1976","","","","","","1.082","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:13",""
"2108711","7.84","0.012","18.094","0.002","8.82","0.011","90","","94.13","0.16","90","","1248","2","296","2","296","2","1110000","","1110000","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C5 H3 N7 -","- C5 H3 N7 -","- C40 H24 N56 -","8","2","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.1196","0.0793","","","0.2074","0.2387","","","","","","1.1","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:13",""
"2108712","7.7755","0.0016","18.017","0.003","8.75","0.03","90","","93.53","0.09","90","","1223","4","296","2","296","2","1400000","","1400000","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C5 H3 N7 -","- C5 H3 N7 -","- C40 H24 N56 -","8","2","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.1677","0.0775","","","0.164","0.2055","","","","","","1.12","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:14",""
"2108713","28.1674","0.0005","28.1674","0.0005","4.15209","0.00011","90","","90","","90","","3294.28","0.12","296","0.1","296","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","3-methyl-6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C6 H5 N7 O0.3 -","- C6 H5 N7 O0.3 -","- C96 H80 N112 O4.8 -","16","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","1.54184","CuKα","","0.0407","0.0371","","","0.1033","0.1077","","","","","","1.048","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:14",""
"2108714","28.1659","0.0003","28.1659","0.0003","4.12335","0.00008","90","","90","","90","","3271.13","0.08","250","0.1","250","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","3-methyl-6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C6 H5 N7 O0.4 -","- C6 H5 N7 O0.4 -","- C96 H80 N112 O6.4 -","16","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","1.54184","CuKα","","0.0374","0.0346","","","0.0974","0.1009","","","","","","1.037","","","","has coordinates","259226","2020-11-24","05:11:14",""
"2108715","28.1314","0.0004","28.1314","0.0004","4.09378","0.0001","90","","90","","90","","3239.72","0.1","200","0.1","200","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","3-methyl-6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C6 H5 N7 O0.4 -","- C6 H5 N7 O0.4 -","- C96 H80 N112 O6.4 -","16","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","1.54184","CuKα","","0.0376","0.0351","","","0.0976","0.1009","","","","","","1.043","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:14",""
"2108716","28.1081","0.0004","28.1081","0.0004","4.06918","0.00011","90","","90","","90","","3214.92","0.11","150","0.1","150","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","3-methyl-6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C6 H5 N7 O0.4 -","- C6 H5 N7 O0.4 -","- C96 H80 N112 O6.4 -","16","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","1.54184","CuKα","","0.0374","0.0351","","","0.0947","0.0971","","","","","","1.04","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:14",""
"2108717","28.0757","0.0005","28.0757","0.0005","4.04859","0.00012","90","","90","","90","","3191.28","0.12","100","0.1","100","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","3-methyl-6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C6 H5 N7 O0.4 -","- C6 H5 N7 O0.4 -","- C96 H80 N112 O6.4 -","16","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","1.54184","CuKα","","0.0368","0.0353","","","0.0965","0.098","","","","","","1.048","","","","has coordinates,has Fobs","259226","2020-11-24","05:11:14",""
"2108718","28.275","0.003","28.275","0.003","4.1124","0.0012","90","","90","","90","","3287.8","1.1","296","2","296","2","100000","","100000","","","","","4","I 41/a :2","-I 4ad","88","","3-methyl-6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C6 H5 N7 O0.5 -","- C6 H5 N7 O0.5 -","- C96 H80 N112 O8 -","16","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.1997","0.0798","","","0.1513","0.1986","","","","","","1.089","","","","has coordinates","259226","2020-11-24","05:11:14",""
"2108719","28.18","0.006","28.18","0.006","4.0701","0.0017","90","","90","","90","","3232.1","1.7","296","2","296","2","230000","","230000","","","","","4","I 41/a :2","-I 4ad","88","","3-methyl-6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C6 H5 N7 O0.6 -","- C6 H5 N7 O0.6 -","- C96 H80 N112 O9.6 -","16","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.1858","0.0827","","","0.1868","0.234","","","","","","1.075","","","","has coordinates","259226","2020-11-24","05:11:14",""
"2108720","27.972","0.006","27.972","0.006","3.9991","0.0008","90","","90","","90","","3129","1.1","296","2","296","2","580000","","580000","","","","","4","I 41/a :2","-I 4ad","88","","3-methyl-6-azido-1,2,4-triazolo[4,3-b]pyridazine","","- C6 H5 N7 O0.5 -","- C6 H5 N7 O0.5 -","- C96 H80 N112 O8 -","16","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014493","","x-ray","0.71073","MoKα","","0.3085","0.0843","","","0.1658","0.2482","","","","","","0.963","","","","has coordinates","259226","2020-11-24","05:11:14",""
"2108721","54.285","0.005","5.5843","0.0003","14.8411","0.001","90","","90","","90","","4499","0.6","90","1","90","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H34 O2 S -","- C25 H34 O2 S -","- C200 H272 O16 S8 -","8","2","DK5101","Deptuch, Aleksandra; Jaworska-Gołab, Teresa; Kusz, Joachim; Ksiażek, Maria; Nagao, Keigo; Matsumoto, Takashi; Yamano, Akihito; Ossowska-Chruściel, Mirosława D.; Chruściel, Janusz; Marzec, Monika","Single crystal X-ray structure determination and temperature-dependent structural studies of the smectogenic compound 7OS5","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014481","","","1.54178","CuKα","","0.1542","0.115","","","0.2656","0.2987","","","","","","1.052","","","","has coordinates,has Fobs","259227","2020-11-24","05:12:01",""
"2108722","7.4598","0.0002","7.4598","0.0002","7.4598","0.0001","90","","90","","90","","415.128","0.017","88","1","88","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- B12 Yb -","- B12 Yb -","- B48 Yb4 -","4","0.0208333","","Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay","Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013566","","x-ray","0.71073","MoKα","","0.0099","0.0099","","","0.0133","0.0133","","","","1.03","1.03","1.03","","","","has coordinates,has Fobs","259228","2020-11-24","05:13:26",""
"2108723","7.46","0.0002","7.46","0.0002","7.46","0.0001","90","","90","","90","","415.161","0.017","99.91","0.19","99.91","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- B12 Yb -","- B12 Yb -","- B48 Yb4 -","4","0.0208333","","Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay","Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013566","","x-ray","0.71073","MoKα","","0.01","0.01","","","0.0138","0.0138","","","","1.06","1.06","1.06","","","","has coordinates,has Fobs","259228","2020-11-24","05:13:27",""
"2108724","7.4602","0.0002","7.4602","0.0002","7.4602","0.0001","90","","90","","90","","415.194","0.017","109.99","0.12","109.99","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- B12 Yb -","- B12 Yb -","- B48 Yb4 -","4","0.0208333","","Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay","Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013566","","x-ray","0.71073","MoKα","","0.0112","0.0112","","","0.0159","0.0159","","","","1","1","1","","","","has coordinates,has Fobs","259228","2020-11-24","05:13:27",""
"2108725","7.4603","0.0002","7.4603","0.0002","7.4603","0.0002","90","","90","","90","","415.211","0.019","119.9","0.3","119.9","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- B12 Yb -","- B12 Yb -","- B48 Yb4 -","4","0.0208333","","Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay","Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013566","","x-ray","0.71073","MoKα","","0.0081","0.0081","","","0.0107","0.0107","","","","1.02","1.02","1.02","","","","has coordinates,has Fobs","259228","2020-11-24","05:13:27",""
"2108726","7.4584","0.0003","7.4584","0.0002","7.4584","0.0002","90","","90","","90","","414.89","0.02","130.02","0.15","130.02","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- B12 Yb -","- B12 Yb -","- B48 Yb4 -","4","0.0208333","","Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay","Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013566","","x-ray","0.71073","MoKα","","0.0114","0.0114","","","0.0167","0.0167","","","","1.05","1.05","1.05","","","","has coordinates,has Fobs","259228","2020-11-24","05:13:27",""
"2108727","7.4585","0.0002","7.4585","0.0002","7.4585","0.0001","90","","90","","90","","414.911","0.017","139.9","0.3","139.9","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- B12 Yb -","- B12 Yb -","- B48 Yb4 -","4","0.0208333","","Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay","Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013566","","x-ray","0.71073","MoKα","","0.0116","0.0116","","","0.0164","0.0164","","","","1.03","1.03","1.03","","","","has coordinates,has Fobs","259228","2020-11-24","05:13:27",""
"2108728","7.4599","0.0002","7.4599","0.0002","7.4599","0.0001","90","","90","","90","","415.144","0.017","159.97","0.1","159.97","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- B12 Yb -","- B12 Yb -","- B48 Yb4 -","4","0.0208333","","Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay","Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013566","","x-ray","0.71073","MoKα","","0.0106","0.0106","","","0.014","0.014","","","","1.08","1.08","1.08","","","","has coordinates,has Fobs","259228","2020-11-24","05:13:27",""
"2108729","7.4608","0.00003","7.4608","0.00003","7.4608","0.00002","90","","90","","90","","415.295","0.003","200.01","0.18","200","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- B12 Yb -","- B12 Yb -","- B48 Yb4 -","4","0.0208333","","Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay","Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013566","","x-ray","0.71073","MoKα","","0.0116","0.0116","","","0.0161","0.0161","","","","1.08","1.08","1.08","","","","has coordinates,has Fobs","259228","2020-11-24","05:13:27",""
"2108730","7.4629","0.0001","7.4629","0.0001","7.4629","0.0001","90","","90","","90","","415.645","0.01","293","0.1","293","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- B12 Yb -","- B12 Yb -","- B48 Yb4 -","4","0.0208333","","Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay","Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013566","","x-ray","0.71073","MoKα","","0.0163","0.0163","","","0.0229","0.0229","","","","1.01","1.01","1.01","","","","has coordinates,has Fobs","259228","2020-11-24","05:13:27",""
"2108731","5.1732","0.0018","8.286","0.003","22.264","0.008","90","","90","","90","","954.3","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-Methylhippuric acid polymorph I","2-[(4-Methylbenzoyl)amino]ethanoic acid","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","","Guillén, Marilia; Mora, Asiloé J.; Belandria, Lusbely M.; Seijas, Luis E.; Ramírez, Jeans W.; Burgos, José L.; Rincón, Luis; Delgado, Gerzon E.","Two conformational polymorphs of 4-methylhippuric acid","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013773","","","0.71073","MoKα","","0.0296","0.027","","","0.0692","0.0713","","","","","","1.031","","","","has coordinates,has Fobs","259229","2020-11-24","05:14:06",""
"2108732","9.59","0.003","8.67","0.003","23.811","0.007","90","","94.364","0.01","90","","1974","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methylhippuric acid polymorph II","2-[(4-Methylbenzoyl)amino]ethanoic acid","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C80 H88 N8 O24 -","8","2","","Guillén, Marilia; Mora, Asiloé J.; Belandria, Lusbely M.; Seijas, Luis E.; Ramírez, Jeans W.; Burgos, José L.; Rincón, Luis; Delgado, Gerzon E.","Two conformational polymorphs of 4-methylhippuric acid","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013773","","","0.71073","MoKα","","0.1086","0.0486","","","0.0988","0.1217","","","","","","1.023","","","","has coordinates,has Fobs","259229","2020-11-24","05:14:07",""
"2108733","9.4054","0.0008","10.4228","0.0011","11.9607","0.0008","96.683","0.004","95.288","0.003","104.474","0.003","1118.59","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","C17 H20 N4 S, C6 H6 O","","- C23 H26 N4 O S -","- C23 H26 N4 O S -","- C46 H52 N8 O2 S2 -","2","1","","Andrusenko, Iryna; Potticary, Jason; Hall, Simon R.; Gemmi, Mauro","A new olanzapine cocrystal obtained from volatile deep eutectic solvents and determined by 3D electron diffraction","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012779","","","0.0335","electron","","0.3896","0.314","","","0.5996","0.6255","","","","","","3.016","","","","has coordinates,has Fobs","259230","2020-11-24","05:14:35",""
"2108734","9.4051","0.0009","10.4236","0.0011","11.9619","0.0008","96.686","0.004","95.2878","0.0027","104.474","0.003","1118.74","0.18","","","300","","","","100","","","","","5","P -1","-P 1","2","","","","- C23 H26 N4 O S -","- C23 H26 N4 O S -","- C46 H52 N8 O2 S2 -","2","1","","Andrusenko, Iryna; Potticary, Jason; Hall, Simon R.; Gemmi, Mauro","A new olanzapine cocrystal obtained from volatile deep eutectic solvents and determined by 3D electron diffraction","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620012779","powder diffraction","x-ray","1.5405","Kα~1,2~","","","","","","0.03019","","0.03512","","2.931","","","","","","","has coordinates","259230","2020-11-24","05:14:36",""
"2109072","5.8522","0.0008","8.236","0.003","5.867","0.005","90","","90","","90","","282.8","0.3","443","","443","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- Hf O3 Pb -","- Hf O3 Pb -","- Hf4 O12 Pb4 -","4","0.25","","Bosak, Alexei; Svitlyk, Volodymyr; Arakcheeva, Alla; Burkovsky, Roman; Diadkin, Vadim; Roleder, Krystian; Chernyshov, Dmitry","Incommensurate crystal structure of PbHfO~3~","Acta Crystallographica Section B","2020","76","1","7","12","10.1107/S205252061901494X","","x-ray","0.77865","synchrotron","","0.0456","0.0432","","","0.1305","0.1326","","","","4.4","4.4","3.69","","","","has coordinates,has Fobs","278858","2022-10-28","14:35:32",""
"2243214","9.6158","0.0005","19.8846","0.0011","10.3773","0.0006","90","","93.712","0.002","90","","1980.04","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(3-Methyl-5-phenoxy-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(thiophen-2-yl)prop-2-en-1-one","","- C23 H18 N2 O2 S -","- C23 H18 N2 O2 S -","- C92 H72 N8 O8 S4 -","4","1","ZL2765","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Two isostructural 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(thiophen-2-yl)prop-2-en-1-ones: disorder and supramolecular assembly","Acta Crystallographica Section E","2020","76","1","48","52","10.1107/S205698901901658X","","","0.71073","MoKα","","0.0809","0.042","","","0.0948","0.1165","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","245307","2020-10-21","18:00:00",""
"2243215","9.4336","0.0004","20.6071","0.0009","10.5866","0.0004","90","","93.106","0.002","90","","2055","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[3-Methyl-5-(2-methylphenoxy)-1-phenyl-1<i>H</i>-pyrazol-4-yl]-1-(thiophen-2-yl)prop-2-en-1-one","","- C24 H20 N2 O2 S -","- C24 H20 N2 O2 S -","- C96 H80 N8 O8 S4 -","4","1","ZL2765","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Two isostructural 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(thiophen-2-yl)prop-2-en-1-ones: disorder and supramolecular assembly","Acta Crystallographica Section E","2020","76","1","48","52","10.1107/S205698901901658X","","","0.71073","MoKα","","0.0912","0.0446","","","0.1105","0.1417","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","245307","2020-10-21","18:00:00",""
"2243216","7.265","0.0007","32.864","0.003","5.8446","0.0006","90","","92.277","0.002","90","","1394.3","0.2","200","","200.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(3-Iodophenyl)-1-(4-iodophenyl)prop-2-en-1-one","","- C15 H10 I2 O -","- C15 H10 I2 O -","- C60 H40 I8 O4 -","4","1","IS5526","Spruce, Kieran J.; Hall, Charlie L.; Potticary, Jason; Pridmore, Natalie E.; Cremeens, Matthew E.; D'ambruoso, Gemma D.; Matsumoto, Masaomi; Warren, Gabrielle I.; Warren, Stephen D.; Hall, Simon R.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-(3-iodophenyl)-1-(4-iodophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2020","76","1","72","76","10.1107/S2056989019016402","","","0.71073","MoKα","","0.0402","0.037","","","0.0721","0.0731","","","","","","1.273","","","","has coordinates,has Fobs","245308","2020-10-21","18:00:00",""
"2243217","14.985","0.002","6.0116","0.0009","19.106","0.003","90","","106.796","0.005","90","","1647.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-{[(Anthracen-9-yl)methyl]amino}benzoic acid","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","","Ahmed, Adeeba; Faizi, Md. Serajul Haque; Ahmad, Aiman; Ahmad, Musheer; Fritsky, Igor O.","Crystal structure and Hirshfeld surface analysis of 4-{[(anthracen-9-yl)methyl]amino}benzoic acid","Acta Crystallographica Section E","2020","76","1","62","65","10.1107/S2056989019016207","","","0.71073","MoKα","","0.0865","0.0482","","","0.1069","0.1407","","","","","","1.1227","","","","has coordinates,has Fobs","245309","2020-10-21","18:00:00",""
"2243218","10.4234","0.0004","14.3123","0.0005","13.6047","0.0005","90","","103.154","0.003","90","","1976.34","0.13","213","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')manganese(II)","","- C16 H30 Mn N2 O4 -","- C16 H30 Mn N2 O4 -","- C64 H120 Mn4 N8 O16 -","4","1","WM5524","Halz, Jan Henrik; Heiser, Christian; Wagner, Christoph; Merzweiler, Kurt","Syntheses and crystal structures of three [<i>M</i>(acac)~2~(TMEDA)] complexes (<i>M</i> = Mn, Fe and Zn)","Acta Crystallographica Section E","2020","76","1","66","71","10.1107/S2056989019016372","","","0.71073","MoKα","","0.0431","0.0344","","","0.0886","0.099","","","","","","1.06","","","","has coordinates,has Fobs","245310","2020-10-21","18:00:00",""
"2243219","10.2021","0.0003","15.4708","0.0004","12.4881","0.0004","90","","95.382","0.003","90","","1962.37","0.1","213","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')iron(II)","","- C16 H30 Fe N2 O4 -","- C16 H30 Fe N2 O4 -","- C64 H120 Fe4 N8 O16 -","4","1","","Halz, Jan Henrik; Heiser, Christian; Wagner, Christoph; Merzweiler, Kurt","Syntheses and crystal structures of three [<i>M</i>(acac)~2~(TMEDA)] complexes (<i>M</i> = Mn, Fe and Zn)","Acta Crystallographica Section E","2020","76","1","66","71","10.1107/S2056989019016372","","","0.71073","MoKα","","0.0405","0.0311","","","0.0798","0.0862","","","","","","1.037","","","","has coordinates,has Fobs","245310","2020-10-21","18:00:00",""
"2243220","10.2335","0.0003","14.2134","0.0006","13.6738","0.0005","90","","101.208","0.003","90","","1950.96","0.12","200","","200.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')zinc(II)","","- C16 H30 N2 O4 Zn -","- C16 H30 N2 O4 Zn -","- C64 H120 N8 O16 Zn4 -","4","1","","Halz, Jan Henrik; Heiser, Christian; Wagner, Christoph; Merzweiler, Kurt","Syntheses and crystal structures of three [<i>M</i>(acac)~2~(TMEDA)] complexes (<i>M</i> = Mn, Fe and Zn)","Acta Crystallographica Section E","2020","76","1","66","71","10.1107/S2056989019016372","","","0.71073","MoKα","","0.033","0.0268","","","0.0744","0.0761","","","","","","1.068","","","","has coordinates,has Fobs","245310","2020-10-21","18:00:00",""
"2243221","8.8137","0.001","10.4801","0.0012","15.0785","0.0017","85.684","0.007","77.984","0.007","84.965","0.007","1354.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-{[(2,6-dichlorobenzylidene)hydrazinylidene]methyl}phenolato)cobalt(II)","","- C28 H18 Cl4 Co N4 O2 -","- C28 H18 Cl4 Co N4 O2 -","- C56 H36 Cl8 Co2 N8 O4 -","2","1","HB7872","Manawar, Rohit B.; Mamtora, Mayank J.; Shah, Manish K.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Crystal structure, Hirshfeld surface analysis and computational study of bis(2-{[(2,6-dichlorobenzylidene)hydrazinylidene]methyl}phenolato)cobalt(II) and of the copper(II) analogue","Acta Crystallographica Section E","2020","76","1","53","61","10.1107/S2056989019016529","","","0.71073","MoKα","","0.079","0.0452","","","0.0976","0.1115","","","","","","1.038","","","","has coordinates,has Fobs","245311","2020-10-21","18:00:00",""
"2243222","8.13","0.0007","8.5072","0.0011","9.7386","0.0013","83.24","0.004","87.646","0.003","81.533","0.004","661.39","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-{[(2,6-dichlorobenzylidene)hydrazinylidene]methyl}phenolato)copper(II)","","- C28 H18 Cl4 Cu N4 O2 -","- C28 H18 Cl4 Cu N4 O2 -","- C28 H18 Cl4 Cu N4 O2 -","1","0.5","HB7872","Manawar, Rohit B.; Mamtora, Mayank J.; Shah, Manish K.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Crystal structure, Hirshfeld surface analysis and computational study of bis(2-{[(2,6-dichlorobenzylidene)hydrazinylidene]methyl}phenolato)cobalt(II) and of the copper(II) analogue","Acta Crystallographica Section E","2020","76","1","53","61","10.1107/S2056989019016529","","","0.71073","MoKα","","0.0394","0.0326","","","0.0877","0.0933","","","","","","1.046","","","","has coordinates,has Fobs","245311","2020-10-21","18:00:00",""
"2243223","9.0872","0.0002","21.1012","0.0004","11.7134","0.0002","90","","112.654","0.001","90","","2072.77","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-3-[(1-benzyl-1<i>H</i>-1,2,3-triazol-5-yl)methyl]-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-2-one monohydrate","","- C24 H23 N5 O2 -","- C24 H23 N5 O2 -","- C96 H92 N20 O8 -","4","1","LH5940","Saber, Asmaa; Sebbar, Nada Kheira; Hökelek, Tuncer; Labd Taha, Mohamed; Mague, Joel T.; Hamou Ahabchane, Noureddine; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and DFT studies of 1-benzyl-3-[(1-benzyl-1<i>H</i>-1,2,3-triazol-5-yl)methyl]-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-2-one monohydrate","Acta Crystallographica Section E","2020","76","1","95","101","10.1107/S2056989019016876","","","1.54178","CuKα","","0.0682","0.0475","","","0.1018","0.1126","","","","","","1.056","","","","has coordinates,has Fobs","245478","2020-10-21","18:00:00",""
"2243224","16.9457","0.0008","9.6453","0.0005","12.1052","0.0006","90","","116.986","0.001","90","","1763.12","0.15","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,2,5-Trimethyl-1,3-dioxane-5-carboxylic acid","","- C8 H14 O4 -","- C8 H14 O4 -","- C64 H112 O32 -","8","1","HB7867","Giesen, Joseph A.; Grayson, Scott M.; Mague, Joel T.","Syntheses and crystal structures of 2,2,5-trimethyl-1,3-dioxane-5-carboxylic acid and 2,2,5-trimethyl-1,3-dioxane-5-carboxylic anhydride","Acta Crystallographica Section E","2020","76","1","86","90","10.1107/S2056989019016670","","","0.71073","MoKα","","0.0437","0.0391","","","0.1098","0.1131","","","","","","1.066","","","","has coordinates,has Fobs","245479","2020-10-21","18:00:00",""
"2243225","10.355","0.004","11.928","0.005","14.496","0.006","73.128","0.005","84.9","0.005","89.499","0.006","1706.3","1.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2,2,5-Trimethyl-1,3-dioxane-5-carboxylic anhydride","","- C16 H26 O7 -","- C16 H26 O7 -","- C64 H104 O28 -","4","2","HB7867","Giesen, Joseph A.; Grayson, Scott M.; Mague, Joel T.","Syntheses and crystal structures of 2,2,5-trimethyl-1,3-dioxane-5-carboxylic acid and 2,2,5-trimethyl-1,3-dioxane-5-carboxylic anhydride","Acta Crystallographica Section E","2020","76","1","86","90","10.1107/S2056989019016670","","","0.71073","MoKα","","0.046","0.0399","","","0.1031","0.1088","","","","","","1.038","","","","has coordinates,has Fobs","245479","2020-10-21","18:00:00",""
"2243226","20.2125","0.0008","9.6926","0.0004","10.1458","0.0003","90","","100.445","0.001","90","","1954.74","0.13","90","0.2","90","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(1<i>R</i>*, 8<i>S</i>)-2-acetamidooctahydropyrrolizin-4-ium chloride‒<i>N</i>-[(1<i>R</i>, 8<i>S</i>)hexahydro-1<i>H</i>-pyrrolizin-2-yl)acetamide (1/1)","","- C18 H33 Cl N4 O2 -","- C18 H33 Cl N4 O2 -","- C72 H132 Cl4 N16 O8 -","4","0.5","HB7870","Bhardwaj, Minakshi; Ai, Qianxiang; Parkin, Sean R.; Grossman, Robert B.","An unusually short intermolecular N—H···N hydrogen bond in crystals of the hemi-hydrochloride salt of 1-<i>exo</i>-acetamidopyrrolizidine","Acta Crystallographica Section E","2020","76","1","77","81","10.1107/S2056989019016517","","","0.71073","MoKα","","0.0397","0.0371","","","0.0942","0.096","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","245480","2020-10-21","18:00:00",""
"2243227","15.954","0.004","5.4599","0.0012","28.397","0.006","90","","92.299","0.005","90","","2471.6","1","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bis{4-[(2-hydroxy-3-nitro-5-methoxybenzylidene)amino]phenyl} ether","2-[<i>N</i>-(4-{4-[(2-Hydroxy-5-methoxy-3-nitrobenzylidene)amino]phenoxy}phenyl)carboximidoyl]-4-methoxy-6-nitrophenol","","- C28 H22 N4 O9 -","- C28 H22 N4 O9 -","- C112 H88 N16 O36 -","4","0.5","RZ5267","Arafath, Md. Azharul; Kwong, Huey Chong; Adam, Farook; Mohiuddin, Md.; Sarker, Md. Sohug; Salim, Mohammad; Alam, Md. Mahbubul","Bis{4-[(2-hydroxy-5-methoxy-3-nitrobenzylidene)amino]phenyl} ether","Acta Crystallographica Section E","2020","76","1","91","94","10.1107/S2056989019016852","","","0.71073","MoKα","","0.1041","0.0996","","","0.3485","0.3525","","","","","","1.148","","","","has coordinates,has Fobs","245481","2020-10-21","18:00:00",""
"2243228","26.7742","0.0016","20.8916","0.0014","8.4254","0.0005","90","","93.46","0.003","90","","4704.2","0.5","100.15","","100.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","Diaquabis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(2-nitrobenzoate)","","- C18 H28 Cu N6 O10 -","- C18 H28 Cu N6 O10 -","- C144 H224 Cu8 N48 O80 -","8","2","LH5937","Qadir, Adnan M.; Kansiz, Sevgi; Rosair, Georgina M.; Dege, Necmi; Iskenderov, Turganbay S.","Crystal structure and Hirshfeld surface analysis of a copper(II) complex with ethylenediamine and non-coordinated benzoate","Acta Crystallographica Section E","2020","76","1","111","114","10.1107/S2056989019016669","","","0.71073","MoKα","","0.069","0.0557","","","0.1267","0.1379","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","245574","2020-10-21","18:00:00",""
"2243229","26.637","0.0009","10.7617","0.0004","20.2108","0.0007","90","","121.932","0.001","90","","4916.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-[(1<i>R</i>,4<i>S</i>)-1,7,7-Trimethyl-2-oxobicyclo[2.2.1]heptan-3-\ ylidene]hydrazinecarbothioamide‒\ 1-[(1<i>S</i>,4<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-\ ylidene]hydrazinecarbothioamide (1/1)","","- C11 H17 N3 O S -","- C11 H17 N3 O S -","- C176 H272 N48 O16 S16 -","16","2","","Pires, Fabrício Carvalho; Bresolin, Leandro; Gervini, Vanessa Carratu; Tirloni, Bárbara; Bof de Oliveira, Adriano","Synthesis, crystal structure and Hirshfeld analysis of a crystalline compound comprising a 1/1 mixture of 1-[(1<i>R</i>,4<i>S</i>)- and 1-[(1<i>S</i>,4<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-ylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2020","76","1","115","120","10.1107/S2056989019016980","","x-ray","1.54178","CuKα","","0.043","0.043","","","0.1122","0.1122","","","","","","1.066","","","","has coordinates,has Fobs","245575","2020-10-21","18:00:00",""
"2243230","9.6543","0.0002","9.9235","0.0002","14.167","0.0003","100.755","0.002","108.318","0.002","95.617","0.002","1247.9","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-bis(pyridin-4-ylmethyl)ethanediamide; bis(benzoic acid)","","- C28 H26 N4 O6 -","- C28 H26 N4 O6 -","- C56 H52 N8 O12 -","2","1","HB7875","Tan, Sang Loon; Tiekink, Edward R. T.","The 1:2 co-crystal formed between <i>N</i>,<i>N</i>'-bis(pyridin-4-ylmethyl)ethanediamide and benzoic acid: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2020","76","1","102","110","10.1107/S2056989019016840","","","1.54184","CuKα","","0.0373","0.0338","","","0.0896","0.0932","","","","","","1.018","","","","has coordinates,has Fobs","245576","2020-10-21","18:00:00",""
"2243231","11.9227","0.0005","12.1592","0.0006","14.9217","0.0007","104.293","0.003","101.701","0.003","112.585","0.003","1825.27","0.17","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-Poly[[bis[(2,2';6',2''-terpyridine)manganese(II)]-μ~4~-pentathiodiantimonato] tetrahydrate]","","- C30 H30 Mn2 N6 O4 S5 Sb2 -","- C30 H30 Mn2 N6 O4 S5 Sb2 -","- C60 H60 Mn4 N12 O8 S10 Sb4 -","2","1","LH5938","Danker, Felix; Näther, Christian; Bensch, Wolfgang","Synthesis and crystal structure of <i>catena</i>-poly[[bis[(2,2';6',2''-terpyridine)manganese(II)]-μ~4~-pentathiodiantimonato] tetrahydrate] showing a 1D MnSbS network","Acta Crystallographica Section E","2020","76","1","32","37","10.1107/S2056989019016268","","","0.71073","MoKα","","0.0655","0.054","","","0.1729","0.1823","","","","","","1.067","","","","has coordinates,has Fobs","246415","2020-10-21","18:00:00",""
"2243232","4.8718","0.0001","15.9511","0.0001","13.9575","0.0001","90","","96.945","0.001","90","","1076.69","0.02","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[μ-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione-κ^2^<i>S</i>:<i>S</i>]bis{(thiocyanato-κ<i>S</i>)[1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione-κ<i>S</i>]silver(I)}","","- C10 H12 Ag2 N14 S6 -","- C10 H12 Ag2 N14 S6 -","- C20 H24 Ag4 N28 S12 -","2","0.5","HB7868","Kreaunakpan, Janjira; Chainok, Kittipong; Halcovitch, Nathan R.; Tiekink, Edward R. T.; Pirojsirikul, Teerapong; Saithong, Saowanit","Crystal and molecular structures of a binuclear mixed ligand complex of silver(I) with thiocyanate and 1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2020","76","1","42","47","10.1107/S2056989019016359","","x-ray","1.54184","CuKα","","0.0255","0.0252","","","0.066","0.0661","","","","","","1.174","","","","has coordinates,has Fobs","246416","2020-10-21","18:00:00",""
"2243233","12.4962","0.0005","9.9237","0.0004","29.5925","0.0015","90","","90","","90","","3669.7","0.3","293.2","","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 5-methyl-1,1-dioxo-2-{[5-(pentan-3-yl)-1,2,4-oxadiazol-3-yl]methyl}-2<i>H</i>-1,2,6-thiadiazine-4-carboxylate","","- C15 H22 N4 O5 S -","- C15 H22 N4 O5 S -","- C120 H176 N32 O40 S8 -","8","1","","Ivachtchenko, Alexandre V.; Kovalenko, Sergiy M.; Kravchenko, Dmitry V.; Mitkin, Oleg D.; Ivanov, Vladimir V.; Langer, Thierry","Crystal structure, Hirshfeld analysis and a molecular docking study of a new inhibitor of the Hepatitis B virus (HBV): ethyl 5-methyl-1,1-dioxo-2-{[5-(pentan-3-yl)-1,2,4-oxadiazol-3-yl]methyl}-2<i>H</i>-1,2,6-thiadiazine-4-carboxylate","Acta Crystallographica Section E","2020","76","1","12","17","10.1107/S2056989019015986","","x-ray","0.71073","MoKα","","0.0652","0.0496","","","0.1175","0.1268","","","","","","1.06","","","","has coordinates,has Fobs","246417","2020-10-21","18:00:00",""
"2243234","16.456","0.007","10.42","0.002","26.391","0.007","90","","90.031","0.012","90","","4525","2","302","2","302","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorobenzyl)-5-[(1<i>H</i>-indol-3-yl)methyl]-6-phenylimidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C26 H19 Cl N4 S -","- C26 H19 Cl N4 S -","- C208 H152 Cl8 N32 S8 -","8","2","IS5527","Shamanth, Sadashivamurthy; Mantelingu, Kempegowda; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Crystal structures of three 6-aryl-2-(4-chlorobenzyl)-5-[(1<i>H</i>-indol-3-yl)methyl]imidazo[2,1-<i>b</i>][1,3,4]thiadiazoles","Acta Crystallographica Section E","2020","76","1","18","24","10.1107/S2056989019016050","","","0.71073","MoKα","","0.0908","0.0596","","","0.1506","0.1765","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","246418","2020-10-21","18:00:00",""
"2243235","15.34","0.001","11.1619","0.0007","15.385","0.001","90","","119.48","0.01","90","","2293.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorobenzyl)-6-(4-fluorophenyl)-5-[(1<i>H</i>-indol-3-yl)methyl]imidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C26 H18 Cl F N4 S -","- C26 H18 Cl F N4 S -","- C104 H72 Cl4 F4 N16 S4 -","4","1","IS5527","Shamanth, Sadashivamurthy; Mantelingu, Kempegowda; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Crystal structures of three 6-aryl-2-(4-chlorobenzyl)-5-[(1<i>H</i>-indol-3-yl)methyl]imidazo[2,1-<i>b</i>][1,3,4]thiadiazoles","Acta Crystallographica Section E","2020","76","1","18","24","10.1107/S2056989019016050","","","0.71073","MoKα","","0.093","0.0495","","","0.1123","0.131","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","246418","2020-10-21","18:00:00",""
"2243236","9.5735","0.0008","9.686","0.0009","25.644","0.002","90","","90","","90","","2377.9","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","6-(4-Bromophenyl)-2-(4-chlorobenzyl)-5-[(1<i>H</i>-indol-3-yl)methyl]imidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C26 H18 Br Cl N4 S -","- C26 H18 Br Cl N4 S -","- C104 H72 Br4 Cl4 N16 S4 -","4","1","IS5527","Shamanth, Sadashivamurthy; Mantelingu, Kempegowda; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Crystal structures of three 6-aryl-2-(4-chlorobenzyl)-5-[(1<i>H</i>-indol-3-yl)methyl]imidazo[2,1-<i>b</i>][1,3,4]thiadiazoles","Acta Crystallographica Section E","2020","76","1","18","24","10.1107/S2056989019016050","","","0.71073","MoKα","","0.0783","0.0447","","","0.0916","0.1001","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","246418","2020-10-21","18:00:00",""
"2243237","8.7024","0.0003","9.8709","0.0004","13.1621","0.0005","90.3822","0.0019","108.961","0.0018","97.3571","0.0018","1059.08","0.07","100","2","99.99","","","","","","","","","4","P -1","-P 1","2","","2,2'-[(2-Nitrophenyl)methylene]bis(3-hydroxy-5,5-dimethylcyclohex-2-enone)","","- C23 H27 N O6 -","- C23 H27 N O6 -","- C46 H54 N2 O12 -","2","1","DX2021","Steiger, Scott A.; Li, Chun; Gates, Christina; Natale, Nicholas R.","Synthesis and crystal structures of a bis(3-hydroxy-cyclohex-2-en-1-one) and two hexahydroquinoline derivatives","Acta Crystallographica Section E","2020","76","2","125","131","10.1107/S2056989019017018","","","0.71073","MoKα","","0.0689","0.0542","","","0.1432","0.1543","","","","","","1.036","","","","has coordinates,has Fobs","246734","2020-10-21","18:00:00",""
"2243238","10.8854","0.0004","25.2446","0.001","15.3665","0.0006","90","","100.761","0.0019","90","","4148.4","0.3","100","2","100.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C23 H29 N O6 -","- C23 H29 N O6 -","- C184 H232 N8 O48 -","8","2","DX2021","Steiger, Scott A.; Li, Chun; Gates, Christina; Natale, Nicholas R.","Synthesis and crystal structures of a bis(3-hydroxy-cyclohex-2-en-1-one) and two hexahydroquinoline derivatives","Acta Crystallographica Section E","2020","76","2","125","131","10.1107/S2056989019017018","","","0.71073","MoKα","","0.0456","0.0392","","","0.1025","0.1077","","","","","","1.039","","","","has coordinates,has Fobs","246734","2020-10-21","18:00:00",""
"2243239","11.6527","0.0003","18.1986","0.0004","12.3435","0.0003","90","","114.876","0.0012","90","","2374.74","0.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 4-(anthracen-9-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C29 H29 N O3 -","- C29 H29 N O3 -","- C116 H116 N4 O12 -","4","1","DX2021","Steiger, Scott A.; Li, Chun; Gates, Christina; Natale, Nicholas R.","Synthesis and crystal structures of a bis(3-hydroxy-cyclohex-2-en-1-one) and two hexahydroquinoline derivatives","Acta Crystallographica Section E","2020","76","2","125","131","10.1107/S2056989019017018","","","0.71073","MoKα","","0.0672","0.0484","","","0.1218","0.1346","","","","","","1.039","","","","has coordinates,has Fobs","246734","2020-10-21","18:00:00",""
"2243240","5.592","0.001","7.2162","0.0012","8.4021","0.0013","109.148","0.006","93.889","0.007","103.282","0.006","307.92","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,2,4-Triazolium hydrogen oxalate","","- C4 H5 N3 O4 -","- C4 H5 N3 O4 -","- C8 H10 N6 O8 -","2","1","WM5529","Ponjan, Nutcha; Aroonchat, Purita; Chainok, Kittipong","Crystal structure and Hirshfeld surface analysis of 1,2,4-triazolium hydrogen oxalate","Acta Crystallographica Section E","2020","76","2","137","140","10.1107/S2056989019017304","","x-ray","0.71073","MoKα","","0.0462","0.0371","","","0.0941","0.1018","","","","","","1.07","","","","has coordinates,has Fobs","246735","2020-10-21","18:00:00",""
"2243241","14.0717","0.0008","6.4811","0.0004","26.767","0.002","90","","90","","90","","2441.2","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-{[(3-Chlorophenyl)imino]methyl}-6-methylphenol","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C112 H96 Cl8 N8 O8 -","8","1","MW2154","Saraçoğlu, Hanife; Doğan, Onur Erman; Ağar, Tuğgan; Dege, Necmi; Iskenderov, Turganbay S.","Crystal structure, DFT and MEP study of (<i>E</i>)-2-{[(3-chlorophenyl)imino]methyl}-6-methylphenol","Acta Crystallographica Section E","2020","76","2","141","144","10.1107/S2056989019017353","","","0.71073","MoKα","","0.0493","0.0393","","","0.1114","0.1167","","","","","","1.047","","","","has coordinates,has Fobs","246736","2020-10-21","18:00:00",""
"2243242","6.8473","0.0001","12.5587","0.0002","19.809","0.0003","90","","90","","90","","1703.44","0.04","150.6","0.9","150.6","0.9","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3-(Adamantan-1-yl)-4-(2-bromo-4-fluorophenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C18 H19 Br F N3 S -","- C18 H19 Br F N3 S -","- C72 H76 Br4 F4 N12 S4 -","4","1","XI2020","Abdelrazeq, Alaa S.; Ghabbour, Hazem A.; El-Emam, Ali A.; Osman, Doaa Ahmed; Garcia-Granda, Santiago","Synthesis and crystal structure of 3-(adamantan-1-yl)-4-(2-bromo-4-fluorophenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2020","76","2","162","166","10.1107/S2056989020000092","","x-ray","1.54184","CuKα","","0.0412","0.0347","","","0.0776","0.0812","","","","","","1.051","","","","has coordinates,has Fobs","246737","2020-10-21","18:00:00",""
"2243243","7.9698","0.0005","10.1104","0.0006","11.5208","0.0007","113.461","0.002","105.685","0.003","91.805","0.002","809.63","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-trihydro(pentafluoropheny)borato-tetrakis(tetrahydrofuran)disodium","","- C28 H38 B2 F10 Na2 O4 -","- C28 H38 B2 F10 Na2 O4 -","- C28 H38 B2 F10 Na2 O4 -","1","0.5","IS5529","Tanaka, Ryo; Shiono, Takeshi","Crystal structure of di-μ-trihydro(pentafluorophenyl)borato-tetrakis(tetrahydrofuran)disodium","Acta Crystallographica Section E","2020","76","2","145","147","10.1107/S2056989019017201","","","0.71069","MoKα","","0.0506","0.0469","","","0.1411","0.1463","","","","","","1.075","","","","has coordinates,has Fobs","246738","2020-10-21","18:00:00",""
"2243244","26.2059","0.0018","4.8119","0.0003","12.8084","0.0009","90","","90","","90","","1615.14","0.19","301","2","301","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(<i>E</i>)-<i>N</i>'-[(1-Chloro-3,4-dihydronaphthalen-2-yl)methylidene]\ benzohydrazide monohydrate","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C72 H68 Cl4 N8 O8 -","4","1","IS5528","Arjun, H. A.; Anil Kumar, G. N.; Elancheran, R.; Kabilan, S.","Crystal structure, DFT and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>'-[(1-chloro-3,4-dihydronaphthalen-2-yl)methylidene]benzohydrazide monohydrate","Acta Crystallographica Section E","2020","76","2","132","136","10.1107/S2056989019017183","","","0.71073","MoKα","","0.0894","0.045","","","0.1161","0.1514","","","","","","1.027","","","","has coordinates,has Fobs","246739","2020-10-21","18:00:00",""
"2243245","9.3322","0.0002","7.7341","0.0002","20.1143","0.0004","90","","90.002","0.002","90","","1451.77","0.06","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aquadichlorido{<i>N</i>-[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate","","- C12 H14 Cl2 Cu N2 O2 -","- C12 H14 Cl2 Cu N2 O2 -","- C48 H56 Cl8 Cu4 N8 O8 -","4","1","EX2027","Molano, Miguel F.; Lorett Velasquez, Vaneza P.; Erben, Mauricio F.; Nossa González, Diana L.; Loaiza, Alix E.; Echeverría, Gustavo A.; Piro, Oscar E.; Tobón, Yeny A.; Ben Tayeb, Karima; Gómez Castaño, Jovanny A.","Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{<i>N</i>-[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate","Acta Crystallographica Section E","2020","76","2","148","154","10.1107/S2056989019017213","","x-ray","0.71073","MoKα","","0.0525","0.0345","","","0.0704","0.0796","","","","","","1.039","","","","has coordinates","246740","2020-10-21","18:00:00",""
"2243246","7.4203","0.0002","10.3241","0.0003","18.4191","0.0006","90","","95.471","0.002","90","","1404.62","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N3 O5 S -","- C12 H15 N3 O5 S -","- C48 H60 N12 O20 S4 -","4","1","HB7880","Tan, Sang Loon; Jotani, Mukesh M.; Tiekink, Edward R. T.","3,3-Bis(2-hydroxyethyl)-1-(4-nitrobenzoyl)thiourea: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2020","76","2","155","161","10.1107/S2056989019017328","","","0.71073","MoKα","","0.0491","0.0371","","","0.0867","0.0933","","","","","","1.043","","","","has coordinates,has Fobs","246741","2020-10-21","18:00:00",""
"2243247","7.8325","0.0007","9.3406","0.0008","8.4471","0.0007","90","","108.727","0.002","90","","585.27","0.09","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","Potassium phosphate heptahydrate","","- D14 K3 O11 P -","- D14 K3 O11 P -","- D28 K6 O22 P2 -","2","1","HB7876","Weil, Matthias; Stöger, Berthold","Crystal structure of the deuterated heptahydrate of potassium phosphate, K~3~PO~4~·7D~2~O","Acta Crystallographica Section E","2020","76","2","177","179","10.1107/S2056989020000201","","x-ray","0.71073","MoKα","","0.0167","0.0156","","","0.0198","0.0201","","","","1.03","1.03","1.02","","","","has coordinates,has Fobs","246742","2020-10-21","18:00:00",""
"2243248","14.859","0.003","17.747","0.004","9.995","0.002","90","","101.06","0.03","90","","2586.8","1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-5-(4-Methylphenyl)-1-(pyridin-2-yl)pent-2-en-4-yn-1-one","","- C17 H13 N O -","- C17 H13 N O -","- C136 H104 N8 O8 -","8","2","FF2164","Ushakov, Ivan E.; Odin, Ivan S.; Gloukhov, Pavel A.; Golovanov, Alexander A.; Dorovatovskii, Pavel V.; Vologzhanina, Anna V.","Crystal structures of (<i>E</i>)-5-(4-methylphenyl)-1-(pyridin-2-yl)pent-2-en-4-yn-1-one and [3,4-bis(phenylethynyl)cyclobutane-1,2-diyl]bis(pyridin-2-ylmethanone)","Acta Crystallographica Section E","2020","76","2","192","196","10.1107/S2056989020000055","","","0.80248","synchrotron","","0.0776","0.0601","","","0.1427","0.1574","","","","","","1.023","","","","has coordinates,has Fobs","246861","2020-10-21","18:00:00",""
"2243249","12.272","0.003","18.72","0.004","11.425","0.002","90","","115.85","0.003","90","","2362.1","0.9","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[3,4-Bis(phenylethynyl)cyclobutane-1,2-diyl]bis(pyridin-2-ylmethanone)","","- C32 H22 N2 O2 -","- C32 H22 N2 O2 -","- C128 H88 N8 O8 -","4","1","FF2164","Ushakov, Ivan E.; Odin, Ivan S.; Gloukhov, Pavel A.; Golovanov, Alexander A.; Dorovatovskii, Pavel V.; Vologzhanina, Anna V.","Crystal structures of (<i>E</i>)-5-(4-methylphenyl)-1-(pyridin-2-yl)pent-2-en-4-yn-1-one and [3,4-bis(phenylethynyl)cyclobutane-1,2-diyl]bis(pyridin-2-ylmethanone)","Acta Crystallographica Section E","2020","76","2","192","196","10.1107/S2056989020000055","","","0.71073","MoKα","","0.1222","0.0563","","","0.1072","0.1297","","","","","","0.992","","","","has coordinates,has Fobs","246861","2020-10-21","18:00:00",""
"2243250","4.6858","0.0002","5.9178","0.0003","9.0167","0.0004","84.889","0.002","87.284","0.002","80.785","0.002","245.68","0.02","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","Strontium thiosulfate monohydrate","","- H2 O4 S2 Sr -","- H2 O4 S2 Sr -","- H4 O8 S4 Sr2 -","2","1","WM5535","Klein, Wilhelm","Crystal structure of strontium thiosulfate monohydrate","Acta Crystallographica Section E","2020","76","2","197","200","10.1107/S2056989020000353","","","0.71073","MoKα","","0.0247","0.0243","","","0.0609","0.0613","","","","","","1.102","","","","has coordinates,has Fobs","246998","2020-10-21","18:00:00",""
"2243251","15.5162","0.0007","6.8288","0.0003","24.5631","0.0012","90","","104.683","0.001","90","","2517.6","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2,3,7,8,12,13,17,18-Octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin chloroform monosolvate","","- C45 H3 Br8 Cl3 F20 N4 -","- C45 H3 Br8 Cl3 F20 N4 -","- C90 H6 Br16 Cl6 F40 N8 -","2","1","TX2016","Kingsbury, Christopher J.; Flanagan, Keith J.; Kielmann, Marc; Twamley, Brendan; Senge, Mathias O.","Crystal structures of 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin as the chloroform monosolvate and tetrahydrofuran monosolvate","Acta Crystallographica Section E","2020","76","2","214","220","10.1107/S2056989020000432","","x-ray","0.71073","MoKα","","0.0241","0.0204","","","0.0422","0.0433","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","246999","2020-10-21","18:00:00",""
"2243252","21.524","0.009","9.545","0.004","26.02","0.011","90","","107.426","0.007","90","","5100","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,3,7,8,12,13,17,18-Octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin tetrahydrofuran monosolvate","","- C48 H10 Br8 F20 N4 O -","- C48 H10 Br8 F20 N4 O -","- C192 H40 Br32 F80 N16 O4 -","4","1","","Kingsbury, Christopher J.; Flanagan, Keith J.; Kielmann, Marc; Twamley, Brendan; Senge, Mathias O.","Crystal structures of 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin as the chloroform monosolvate and tetrahydrofuran monosolvate","Acta Crystallographica Section E","2020","76","2","214","220","10.1107/S2056989020000432","","x-ray","0.71073","MoKα","","0.0758","0.054","","","0.0891","0.0949","","","","","","1.208","","","","has coordinates,has disorder,has Fobs","246999","2020-10-21","18:00:00",""
"2243253","6.2502","0.0003","15.7915","0.0006","20.7395","0.0009","90","","90","","90","","2046.99","0.15","100","2","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(3,4-Dimethylanilino)-<i>N</i>-(3,4-dimethylphenyl)quinoline-3-carboxamide","","- C26 H25 N3 O -","- C26 H25 N3 O -","- C104 H100 N12 O4 -","4","1","ZL2767","Gomes, Ligia R.; Low, John Nicolson; Borges, Fernanda; Gaspar, Alexandra; Mesiti, Francesco","The synthesis, crystal structure and Hirshfeld analysis of 4-(3,4-dimethylanilino)-<i>N</i>-(3,4-dimethylphenyl)quinoline-3-carboxamide","Acta Crystallographica Section E","2020","76","2","201","207","10.1107/S2056989020000298","","x-ray","0.71075","MoKα","","0.0513","0.0442","","","0.0915","0.0939","","","","","","1.078","","","","has coordinates,has Fobs","247000","2020-10-21","18:00:00",""
"2243254","9.655","0.002","5.882","0.0015","12.18","0.003","90","","96.275","0.003","90","","687.6","0.3","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Methyl-<i>N</i>-(4-methylbenzyl)benzenesulfonamide","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C30 H34 N2 O4 S2 -","2","1","WM5537","Stenfors, Brock A.; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N.","Crystal structure of 4-methyl-<i>N</i>-(4-methylbenzyl)benzenesulfonamide","Acta Crystallographica Section E","2020","76","2","235","238","10.1107/S2056989020000535","","","0.71073","MoKα","","0.0383","0.0349","","","0.0896","0.0921","","","","","","1.043","","","","has coordinates,has Fobs","247001","2020-10-21","18:00:00",""
"2243255","7.5596","0.0002","9.7402","0.0003","20.5332","0.0007","90","","94.345","0.003","90","","1507.56","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-2-bromonicotinato-κ^2^<i>O</i>:<i>O</i>')bis[aquacopper(II)](<i>Cu</i>—<i>Cu</i>)","","- C24 H16 Br4 Cu2 N4 O10 -","- C24 H16 Br4 Cu2 N4 O10 -","- C48 H32 Br8 Cu4 N8 O20 -","2","0.5","HB7877","Politeo, Nives; Pisačić, Mateja; Daković, Marijana; Sokol, Vesna; Kukovec, Boris-Marko","The first coordination compound of deprotonated 2-bromonicotinic acid: crystal structure of a dinuclear paddle-wheel copper(II) complex","Acta Crystallographica Section E","2020","76","2","225","230","10.1107/S2056989020000390","","","0.71073","MoKα","","0.0544","0.0501","","","0.1308","0.1339","","","","","","1.058","","","","has coordinates,has Fobs","247002","2020-10-21","18:00:00",""
"2243256","12.6157","0.0003","16.9629","0.0004","22.2759","0.0006","90","","90","","90","","4767","0.2","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Tris(2-oxopropyl)selanium 1-ammonioundecafluorododecaborate","","- C9 H18 B12 F11 N O3 Se -","- C9 H18 B12 F11 N O3 Se -","- C72 H144 B96 F88 N8 O24 Se8 -","8","1","PK2622","Jenne, Carsten; Nierstenhöfer, Marc C.","[Se(CH~2~C(O)CH~3~)~3~][B~12~F~11~NH~3~]: The first selenium cation with three β-ketone substituents","Acta Crystallographica Section E","2020","76","2","221","224","10.1107/S2056989020000481","","x-ray","0.71073","MoKα","","0.0451","0.0315","","","0.0805","0.0868","","","","","","1.03","","","","has coordinates,has Fobs","247003","2020-10-21","18:00:00",""
"2243257","8.0634","0.0001","7.7088","0.0001","16.441","0.0003","90","","90","","90","","1021.96","0.03","300","0.1","300","","","","","","","","","6","P n m a","-P 2ac 2n","62","","2-Iodo-4-(pentafluoro-λ^6^-sulfanyl)benzonitrile","","- C7 H3 F5 I N S -","- C7 H3 F5 I N S -","- C28 H12 F20 I4 N4 S4 -","4","0.5","DX2019","González Espiet, Jean C.; Cintrón Cruz, Juan A.; Piñero Cruz, Dalice M.","Structural characterization and Hirshfeld surface analysis of 2-iodo-4-(pentafluoro-λ^6^-sulfanyl)benzonitrile","Acta Crystallographica Section E","2020","76","2","231","234","10.1107/S2056989020000365","","","1.54184","CuKα","","0.0435","0.0417","","","0.1098","0.1114","","","","","","1.033","","","","has coordinates,has Fobs","247004","2020-10-21","18:00:00",""
"2243258","4.7131","0.0003","11.6998","0.0008","13.5696","0.0008","85.225","0.005","81.139","0.005","87.379","0.005","736.35","0.08","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-{[(Butylsulfanyl)methanethioyl]amino}(4-methoxybenzylidene)amine:","","- C13 H18 N2 O S2 -","- C13 H18 N2 O S2 -","- C26 H36 N4 O2 S4 -","2","1","HB7887","Rusli, Aqilah Fasihah; Kwong, Huey Chong; Crouse, Karen A.; Jotani, Mukesh M.; Tiekink, Edward R. T.","(<i>E</i>)-{[(Butylsulfanyl)methanethioyl]amino}(4-methoxybenzylidene)amine: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2020","76","2","208","213","10.1107/S2056989020000328","","","0.71073","MoKα","","0.0847","0.0553","","","0.1466","0.1735","","","","","","1.034","","","","has coordinates,has Fobs","247005","2020-10-21","18:00:00",""
"2243259","9.9955","0.0005","15.8364","0.0007","31.1356","0.0014","90","","90","","90","","4928.5","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Dimethyl 2,2'-[((2<i>S</i>,2'<i>S</i>)-2,2'-{[(2<i>S</i>,2'<i>S</i>)-1,1'-([1,1'-biphenyl]-2,2'-dicarbonyl)bis(pyrrolidine-1,2-diyl-2-carbonyl)]bis(azanediyl)}bis(3-phenylpropanoyl))bis(azanediyl)](2<i>S</i>,2'<i>S</i>)-dipropionate hemihydrate","","- C50 H57 N6 O10.5 -","- C50 H57 N6 O10.5 -","- C200 H228 N24 O42 -","4","1","VM2226","Le, Thuy Quynh; Nguyen, Xuan Tu; Nguyen, Hung Huy; Mac, Dinh Hung; Bui, Thai Thanh Thu","Crystal structure of a tripeptide biphenyl hybrid C~50~H~56~N~6~O~10~·0.5H~2~O","Acta Crystallographica Section E","2020","76","2","257","260","10.1107/S2056989020000584","","","0.71073","MoKα","","0.0602","0.0476","","","0.1235","0.13","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","247082","2020-10-21","18:00:00",""
"2243260","9.9766","0.0008","17.7991","0.0014","18.8402","0.0014","90","","95.51","0.004","90","","3330.1","0.4","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(μ-1κ<i>N</i>:2(η^2^),κ^2^<i>N</i>,<i>N</i>'-(2-{[2,6-Bis(propan-2-yl)\ phenyl]azanidyl}ethyl)[2-(1<i>H</i>-inden-1-yl)ethyl]azanido)(1,4,7,10,13,16-\ hexaoxacyclooctadecane-1κ^6^<i>O</i>)lithiumtin","","- C33 H47 Li N2 O4 Sn -","- C33 H47 Li N2 O4 Sn -","- C132 H188 Li4 N8 O16 Sn4 -","4","1","FF2165","Bischof, Tobias; Evans, Kieren J.; Haddow, Mairi F.; Mansell, Stephen M.","An indenide-tethered N-heterocyclic stannylene","Acta Crystallographica Section E","2020","76","2","254","256","10.1107/S205698902000047X","","","0.71073","MoKα","","0.0811","0.0416","","","0.0813","0.0957","","","","","","1.035","","","","has coordinates","247083","2020-10-21","18:00:00",""
"2243261","6.8249","0.0002","14.3395","0.0005","8.9089","0.0003","90","","106.678","0.004","90","","835.2","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Hydroxy-3-methoxy-5-nitrobenzaldehyde","","- C8 H7 N O5 -","- C8 H7 N O5 -","- C32 H28 N4 O20 -","4","1","SU5534","Vusak, Vitomir; Vusak, Darko; Molcanov, Kresimir; Ernest, Mestrovic","Synthesis, crystal structure and spectroscopic and Hirshfeld surface analysis of 4-hydroxy-3-methoxy-5-nitrobenzaldehyde","Acta Crystallographica Section E","2020","76","2","239","244","10.1107/S2056989020000225","","","1.54184","CuKα","","0.0424","0.0404","","","","0.1735","","","","","","0.808","","","","has coordinates,has Fobs","247084","2020-10-21","18:00:00",""
"2243262","9.9401","0.0002","11.2002","0.0002","12.3308","0.0003","78.871","0.002","78.816","0.002","81.992","0.002","1313.98","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Bis(pyridin-4-ylmethyl)ethanediamide‒4-chlorobenzoic acid (1/2)","","- C28 H24 Cl2 N4 O6 -","- C28 H24 Cl2 N4 O6 -","- C56 H48 Cl4 N8 O12 -","2","1","HB7889","Tan, Sang Loon; Tiekink, Edward R. T.","Crystal structure, Hirshfeld surface analysis and computational study of the 1:2 co-crystal formed between <i>N</i>,<i>N</i>'-bis(pyridin-4-ylmethyl)ethanediamide and 4-chlorobenzoic acid","Acta Crystallographica Section E","2020","76","2","245","253","10.1107/S2056989020000572","","","1.54184","CuKα","","0.0369","0.0315","","","0.0861","0.0904","","","","","","1.029","","","","has coordinates,has Fobs","247085","2020-10-21","18:00:00",""
"2243263","12.1111","0.0008","7.2385","0.0003","16.1716","0.0012","90","","94.73","0.008","90","","1412.87","0.15","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(4-benzoylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)bis(methanol-κ<i>N</i>)iron(II)","","- C28 H26 Fe N4 O4 S2 -","- C28 H26 Fe N4 O4 S2 -","- C56 H52 Fe2 N8 O8 S4 -","2","0.5","LH5944","Wellm, Carsten; Näther, Christian","Crystal structure, synthesis and thermal properties of bis(4-benzoylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)bis(methanol-κ<i>N</i>)iron(II)","Acta Crystallographica Section E","2020","76","2","276","280","10.1107/S2056989020001152","","","0.71073","MoKα","","0.0421","0.0372","","","0.1011","0.1043","","","","","","1.031","","","","has coordinates,has Fobs","247438","2020-10-21","18:00:00",""
"2243264","6.8071","0.0006","23.8031","0.0016","13.6302","0.001","90","","97.476","0.009","90","","2189.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraaqua[3-oxo-1,3-bis(pyridinium-2-yl)propan-1-olato]nickel(II) tribromide dihydrate","","- C13 H23 Br3 N2 Ni O8 -","- C13 H23 Br3 N2 Ni O8 -","- C52 H92 Br12 N8 Ni4 O32 -","4","1","ZL2768","Westcott, Barry L.; Crundwell, Guy; Alicea-Velázquez, Nilda L.","Tetraaqua[3-oxo-1,3-bis(pyridinium-2-yl)propan-1-olato]nickel(II) tribromide dihydrate","Acta Crystallographica Section E","2020","76","2","270","272","10.1107/S205698902000081X","","","0.71073","MoKα","","0.0668","0.0433","","","0.1086","0.125","","","","","","1.047","","","","has coordinates,has Fobs","247439","2020-10-21","18:00:00",""
"2243265","15.7831","0.0002","14.0136","0.0002","30.5583","0.0003","90","","90","","90","","6758.83","0.15","94.98","","94.98","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Poly[[tetradecakis(μ-propionato)heptabarium] propionic acid monosolvate tetrahydrate]","","- C44.836 H83.674 Ba7 O33.892 -","- C44.838 H79.892 Ba7 O33.892 -","- C179.352 H319.568 Ba28 O135.568 -","4","0.5","WM5531","Samolová, Erika; Fábry, Jan","Poly[[tetradecakis(μ-propionato)heptabarium] propionic acid monosolvate tetrahydrate]","Acta Crystallographica Section E","2020","76","2","264","269","10.1107/S2056989020000924","","x-ray","0.71073","MoKα","","0.0324","","","","0.0696","0.071","","","","","","1.92","","","","has coordinates,has Fobs","247440","2020-10-21","18:00:00",""
"2243266","10.8054","0.0008","19.3938","0.0014","12.7467","0.001","90","","98.523","0.003","90","","2641.7","0.3","150","","150","","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","{4-[10,15,20-Tris(4-methoxyphenyl)porphyrin-5-yl]benzyl 2-diazoacetato}zinc(II)","","- C50 H36 N6 O5 Zn -","- C50 H36 N6 O5 Zn -","- C100 H72 N12 O10 Zn2 -","2","1","HB7871","Carrie, Daniel; Roisnel, Thierry; Simonneaux, Gerard","Crystal structure of {4-[10,15,20-tris(4-methoxyphenyl)porphyrin-5-yl]benzyl 2-diazoacetato}zinc(II)","Acta Crystallographica Section E","2020","76","2","273","275","10.1107/S2056989020001085","","x-ray","0.71073","MoKα","","0.0674","0.0508","","","0.1299","0.1388","","","","","","1.036","","","","has coordinates,has Fobs","247441","2020-10-21","18:00:00",""
"2243267","8.9961","0.0003","10.3755","0.0003","13.2565","0.0004","73.857","0.001","88.119","0.001","74.182","0.001","1142.32","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(2<i>Z</i>)-2-(2,4-Dichlorobenzylidene)-4-nonyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","","- C24 H27 Cl2 N O S -","- C24 H27 Cl2 N O S -","- C48 H54 Cl4 N2 O2 S2 -","2","1","LH5943","Hni, Brahim; Sebbar, Nada Kheira; Hökelek, Tuncer; Redouane, Achour; Mague, Joel T.; Hamou Ahabchane, Noureddine; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis, interaction energy and DFT studies of (2<i>Z</i>)-2-(2,4-dichlorobenzylidene)-4-nonyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","Acta Crystallographica Section E","2020","76","2","281","287","10.1107/S2056989020001036","","","1.54178","CuKα","","0.0461","0.0411","","","0.1027","0.107","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","247442","2020-10-21","18:00:00",""
"2243268","11.0402","0.0004","13.8056","0.0008","14.419","0.0007","63.256","0.005","74.098","0.004","75.307","0.004","1865.63","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Bis{3,4,5-trimethoxy-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]benzohydrazidato}zinc(II)","","- C37 H46 N6 O10 Zn -","- C37 H36 N6 O10 Zn -","- C74 H72 N12 O20 Zn2 -","2","1","TX2017","Znovjyak, Kateryna; Fritsky, Igor O.; Sliva, Tatiana Y.; Amirkhanov, Vladimir M.; Seredyuk, Maksym","Crystal structure of the mixed methanol and ethanol solvate of bis{3,4,5-trimethoxy-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]benzohydrazidato}zinc(II)","Acta Crystallographica Section E","2020","76","3","303","308","10.1107/S2056989020000857","","","0.71069","MoKα","","0.0812","0.064","","","0.1712","0.1922","","","","","","0.895","","","","has coordinates,has Fobs","247942","2020-10-21","18:00:00",""
"2243269","16.1791","0.0019","5.9209","0.0006","12.5007","0.0014","90","","106.093","0.005","90","","1150.6","0.2","100","","99.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methyl-1,2,3,4-tetrahydroisoquinoline trihydrate","","- C10 H19 N O3 -","- C10 H19 N O3 -","- C40 H76 N4 O12 -","4","1","ZL2766","Langenohl, Felix; Otte, Felix; Strohmann, Carsten","Crystal structure of 2-methyl-1,2,3,4-tetrahydroisoquinoline trihydrate","Acta Crystallographica Section E","2020","76","3","298","302","10.1107/S2056989020000730","","x-ray","0.71073","MoKα","","0.0543","0.0413","","","0.0989","0.1088","","","","","","1.03","","","","has coordinates,has Fobs","247944","2020-10-21","18:00:00",""
"2243270","7.4892","0.0001","15.9488","0.0004","22.4266","0.0005","90","","94.896","0.002","90","","2668.94","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2-methyl-3-(pyridin-2-yl)imidazo[1,5-<i>a</i>]pyridinium] tetrachloridomanganate(II)","","- C26 H24 Cl4 Mn N6 -","- C26 H24 Cl4 Mn N6 -","- C104 H96 Cl16 Mn4 N24 -","4","1","LH5945","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Petrusenko, Svitlana R.; Melnyk, Andrii K.; Skelton, Brian W.","Crystal structure of imidazo[1,5-<i>a</i>]pyridinium-based hybrid salt (C~13~H~12~N~3~)~2~[MnCl~4~]","Acta Crystallographica Section E","2020","76","3","309","313","10.1107/S2056989020001425","","","0.71073","MoKα","","0.0692","0.0572","","","0.1752","0.1855","","","","","","1.153","","","","has coordinates,has Fobs","247945","2020-10-21","18:00:00",""
"2243271","13.0955","0.0001","15.3457","0.0002","9.0449","0.0001","90","","94.617","0.001","90","","1811.76","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Bromo-1,3-di-<i>tert</i>-butyl-2-[(trimethylsilyl)oxy]benzene","","- C17 H29 Br O Si -","- C17 H29 Br O Si -","- C68 H116 Br4 O4 Si4 -","4","1","HB7886","Marszaukowski, Flavia; Wohnrath, Karen; Boeré, René T.","Bulky 2,6-disubstituted aryl siloxanes and a disilanamine","Acta Crystallographica Section E","2020","76","3","318","323","10.1107/S2056989020001413","","x-ray","1.54184","CuKα","","0.0307","0.0306","","","0.0733","0.0733","","","","","","1.096","","","","has coordinates,has Fobs","247946","2020-10-21","18:00:00",""
"2243272","14.47237","0.00014","17.4657","0.0002","6.73933","0.00007","90","","90","","90","","1703.5","0.03","100","2","100.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,3-Di-<i>tert</i>-butyl-2-[(trimethylsilyl)oxy]benzene","","- C17 H30 O Si -","- C17 H30 O Si -","- C68 H120 O4 Si4 -","4","0.5","","Marszaukowski, Flavia; Wohnrath, Karen; Boeré, René T.","Bulky 2,6-disubstituted aryl siloxanes and a disilanamine","Acta Crystallographica Section E","2020","76","3","318","323","10.1107/S2056989020001413","","x-ray","1.54184","CuKα","","0.0354","0.0333","","","0.0915","0.0929","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","247946","2020-10-21","18:00:00",""
"2243273","12.199","0.003","12.091","0.003","14.177","0.003","90","","90","","90","","2091.1","0.9","173","2","173.15","","","","","","","","","4","C m c m","-C 2c 2","63","","<i>N</i>-(2,6-Diisopropylphenyl)-1,1,1-trimethyl-<i>N</i>-(trimethylsilyl)silanamine","","- C18 H35 N Si2 -","- C18 H35 N Si2 -","- C72 H140 N4 Si8 -","4","0.25","","Marszaukowski, Flavia; Wohnrath, Karen; Boeré, René T.","Bulky 2,6-disubstituted aryl siloxanes and a disilanamine","Acta Crystallographica Section E","2020","76","3","318","323","10.1107/S2056989020001413","","","0.71073","MoKα","","0.0588","0.0473","","","0.1173","0.126","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","247946","2020-10-21","18:00:00",""
"2243274","7.499","0.0015","8.079","0.0016","9.98","0.002","81.31","0.03","77.32","0.03","78.39","0.03","574.2","0.2","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","1,4,8,11-Tetramethyl-1,4,8,11-tetraazoniacyclotetradecane bis(perchlorate) dichloride","","- C14 H36 Cl4 N4 O8 -","- C14 H36 Cl4 N4 O8 -","- C14 H36 Cl4 N4 O8 -","1","0.5","VM2227","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of 1,4,8,11-tetramethyl-1,4,8,11-tetraazoniacyclotetradecane bis(perchlorate) dichloride from synchrotron X-ray data","Acta Crystallographica Section E","2020","76","3","324","327","10.1107/S2056989020001322","","","0.61","synchrotron","","0.053","0.0522","","","0.1462","0.1473","","","","","","1.045","","","","has coordinates,has Fobs","248067","2020-10-21","18:00:00",""
"2243275","10.0731","0.0004","3.74576","0.00018","16.9805","0.0006","90","","95.808","0.004","90","","637.41","0.05","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~3~-4-amino-1,2,5-oxadiazole-3-hydroxamato)thallium(I)]","","- C3 H3 N4 O3 Tl -","- C3 H2 N4 O3 Tl -","- C12 H8 N16 O12 Tl4 -","4","1","WM5530","Safyanova, Inna S.; Bondar, Oksana A.; Pavlishchuk, Anna V.; Omelchenko, Iryna V.; Iskenderov, Turganbay S.; Kalibabchuk, Valentina A.","Crystal structure of poly[(μ~3~-4-amino-1,2,5-oxadiazole-3-hydroxamato)thallium(I)]","Acta Crystallographica Section E","2020","76","3","328","331","10.1107/S2056989020001577","","","0.71073","MoKα","","0.0501","0.045","","","0.1053","0.1105","","","","","","1.07","","","","has coordinates,has Fobs","248068","2020-10-21","18:00:00",""
"2243276","9.2992","0.0008","9.2992","0.0008","7.2588","0.0007","90","","90","","120","","543.61","0.08","100","","100","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Terbium trialuminium tetrakis(borate)","","- Al3 B4 O12 Tb -","- Al3 B4 O12 Tb -","- Al9 B12 O36 Tb3 -","3","0.166667","RU2069","Chong, Saehwa; Riley, Brian J.; Nelson, Zayne J.; Perry, Samuel N.","Crystal structures and comparisons of huntite alumnium borates <i>RE</i>Al~3~(BO~3~)~4~ (<i>RE</i> = Tb, Dy and Ho)","Acta Crystallographica Section E","2020","76","3","339","343","10.1107/S2056989020001802","","","0.71075","MoKα","","0.0197","0.0197","","0.0212","","0.0212","","","1.08","","","1.08","","","","has coordinates,has Fobs","248205","2020-10-21","18:00:00",""
"2243277","9.2938","0.0005","9.2938","0.0005","7.2348","0.0004","90","","90","","120","","541.18","0.05","100","","100","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Dysprosium trialuminium tetrakis(borate)","","- Al3 B4 Dy O12 -","- Al3 B4 Dy O12 -","- Al9 B12 Dy3 O36 -","3","0.166667","RU2069","Chong, Saehwa; Riley, Brian J.; Nelson, Zayne J.; Perry, Samuel N.","Crystal structures and comparisons of huntite alumnium borates <i>RE</i>Al~3~(BO~3~)~4~ (<i>RE</i> = Tb, Dy and Ho)","Acta Crystallographica Section E","2020","76","3","339","343","10.1107/S2056989020001802","","","0.71075","MoKα","","0.008","0.0101","","0.008","","0.0101","","","1.14","","","1.14","","","","has coordinates,has Fobs","248205","2020-10-21","18:00:00",""
"2243278","9.2832","0.0003","9.2832","0.0003","7.2345","0.0003","90","","90","","120","","539.93","0.03","100","","100","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Holmium trialuminium tetrakis(borate)","","- Al3 B4 Ho O12 -","- Al3 B4 Ho O12 -","- Al9 B12 Ho3 O36 -","3","0.166667","RU2069","Chong, Saehwa; Riley, Brian J.; Nelson, Zayne J.; Perry, Samuel N.","Crystal structures and comparisons of huntite alumnium borates <i>RE</i>Al~3~(BO~3~)~4~ (<i>RE</i> = Tb, Dy and Ho)","Acta Crystallographica Section E","2020","76","3","339","343","10.1107/S2056989020001802","","","0.71075","MoKα","","0.0115","0.0115","","0.0149","","0.0149","","","1.08","","","1.08","","","","has coordinates,has Fobs","248205","2020-10-21","18:00:00",""
"2243279","25.8191","0.0007","11.9726","0.0003","7.1467","0.0002","90","","90.662","0.002","90","","2209.05","0.1","295","1","295","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[aqua(μ~5~-2,5-dicarboxybenzene-1,4-dicarboxylato)strontium]","","- C10 H6 O9 Sr -","- C10 H6 O9 Sr -","- C80 H48 O72 Sr8 -","8","1","","Mokhtari, Samia; Chahrazed, Trifa; Bouacida, Sofiane; Boudaren, Chaouki; Abdelbaky, Mohammed S.M.; García-Granda, Santiago","Synthesis, crystal structure, and thermal properties of poly[aqua(μ~5~-2,5-dicarboxybenzene-1,4-dicarboxylato)strontium]","Acta Crystallographica Section E","2020","76","3","354","359","10.1107/S2056989020002005","","x-ray","0.71073","MoKα","","0.0636","0.0428","","","0.0797","0.0863","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","248206","2020-10-21","18:00:00",""
"2243280","7.2863","0.0002","13.9178","0.0005","11.6156","0.0004","90","","98.866","0.001","90","","1163.85","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(1,3-Benzothiazol-2-yl)-3-(2-hydroxyethyl)imidazolidin-2-one","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","JJ2219","Srhir, Mohamed; Sebbar, Nada Kheira; Hökelek, Tuncer; Moussaif, Ahmed; Mague, Joel T.; Hamou Ahabchane, Noureddine; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 1-(1,3-benzothiazol-2-yl)-3-(2-hydroxyethyl)imidazolidin-2-one","Acta Crystallographica Section E","2020","76","3","370","376","10.1107/S2056989020001723","","","1.54178","CuKα","","0.0315","0.0304","","","0.0788","0.08","","","","","","1.063","","","","has coordinates,has Fobs","248207","2020-10-21","18:00:00",""
"2243281","17.99","0.003","14.2529","0.0016","5.8661","0.0008","90","","94.419","0.004","90","","1499.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Chlorophenyl)-3-[4-(prop-2-ynyloxy)phenyl]prop-2-en-1-one","","- C18 H13 Cl O2 -","- C18 H13 Cl O2 -","- C72 H52 Cl4 O8 -","4","1","ZL2770","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of diarylchalcones into 4,5-dihydropyrazole-1-carbothioamides: molecular and supramolecular structures of two precursors and three products","Acta Crystallographica Section E","2020","76","3","360","365","10.1107/S2056989020001735","","","0.71073","MoKα","","0.1077","0.055","","","0.108","0.1317","","","","","","1.045","","","","has coordinates,has Fobs","248208","2020-10-21","18:00:00",""
"2243282","18.286","0.006","14.277","0.004","5.8489","0.0017","90","","94.521","0.007","90","","1522.2","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Bromophenyl)-3-[4-(prop-2-ynyloxy)phenyl]prop-2-en-1-one","","- C18 H13 Br O2 -","- C18 H13 Br O2 -","- C72 H52 Br4 O8 -","4","1","ZL2770","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of diarylchalcones into 4,5-dihydropyrazole-1-carbothioamides: molecular and supramolecular structures of two precursors and three products","Acta Crystallographica Section E","2020","76","3","360","365","10.1107/S2056989020001735","","","0.71073","MoKα","","0.1593","0.0434","","","0.0652","0.0886","","","","","","0.996","","","","has coordinates,has Fobs","248208","2020-10-21","18:00:00",""
"2243283","15.0182","0.0009","6.0579","0.0003","20.8286","0.0012","90","","110.573","0.002","90","","1774.11","0.17","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>RS</i>)-3-(4-Chlorophenyl)-5-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydropyrazole-1-carbothioamide","","- C19 H16 Cl N3 O S -","- C19 H16 Cl N3 O S -","- C76 H64 Cl4 N12 O4 S4 -","4","1","ZL2770","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of diarylchalcones into 4,5-dihydropyrazole-1-carbothioamides: molecular and supramolecular structures of two precursors and three products","Acta Crystallographica Section E","2020","76","3","360","365","10.1107/S2056989020001735","","","0.71073","MoKα","","0.1025","0.0749","","","0.1245","0.1334","","","","","","1.241","","","","has coordinates,has Fobs","248208","2020-10-21","18:00:00",""
"2243284","15.1255","0.0013","6.0426","0.0005","21.026","0.002","90","","110.555","0.003","90","","1799.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>RS</i>)-3-(4-Bromophenyl)-5-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydropyrazole-1-carbothioamide","","- C19 H16 Br N3 O S -","- C19 H16 Br N3 O S -","- C76 H64 Br4 N12 O4 S4 -","4","1","ZL2770","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of diarylchalcones into 4,5-dihydropyrazole-1-carbothioamides: molecular and supramolecular structures of two precursors and three products","Acta Crystallographica Section E","2020","76","3","360","365","10.1107/S2056989020001735","","","0.71073","MoKα","","0.0812","0.0554","","","0.1011","0.1125","","","","","","1.16","","","","has coordinates,has Fobs","248208","2020-10-21","18:00:00",""
"2243285","11.7852","0.0015","7.5345","0.0011","20.599","0.003","90","","93.555","0.004","90","","1825.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>RS</i>)-3-(4-Methoxyphenyl)-5-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydropyrazole-1-carbothioamide","","- C20 H19 N3 O2 S -","- C20 H19 N3 O2 S -","- C80 H76 N12 O8 S4 -","4","1","ZL2770","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of diarylchalcones into 4,5-dihydropyrazole-1-carbothioamides: molecular and supramolecular structures of two precursors and three products","Acta Crystallographica Section E","2020","76","3","360","365","10.1107/S2056989020001735","","","0.71073","MoKα","","0.1466","0.0509","","","0.0888","0.1179","","","","","","0.967","","","","has coordinates,has Fobs","248208","2020-10-21","18:00:00",""
"2243286","15.00386","0.00018","17.0413","0.0002","17.64915","0.00015","117.041","0.001","96.8906","0.0009","96.8281","0.001","3912.77","0.09","160","2","160","2","","","","","","","","4","P 1","P 1","1","","<i>catena</i>-Poly[[[diaqualithium]-μ-γ-cyclodextrin(1-)-[aqualithium]-μ-γ-cyclodextrin(1-)] pentadecahydrate]","","- C96 H194 Li2 O98 -","- C96 H179 Li2 O98 -","- C96 H179 Li2 O98 -","1","1","WM5534","Krukle-Berzina, Kristine; Belyakov, Sergey; Mishnev, Anatoly; Shubin, Kirill","Crystal structure of a two-dimensional metal‒organic framework assembled from lithium(I) and γ-cyclodextrin","Acta Crystallographica Section E","2020","76","3","349","353","10.1107/S2056989020001942","","","1.54184","CuKα","","0.0477","0.0458","","","0.1302","0.1327","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","248209","2020-10-21","18:00:00",""
"2243287","15.4741","0.0005","5.0224","0.0002","25.518","0.0009","90","","99.858","0.002","90","","1953.9","0.12","150","2","150","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","1,3-Bis[2-methoxy-4-(prop-2-en-1-yl)phenoxy]propane","","- C23 H28 O4 -","- C23 H28 O4 -","- C92 H112 O16 -","4","1","WM5538","Taia, Abdelmaoujoud; Essaber, Mohamed; Hökelek, Tuncer; Aatif, Abdeljalil; Mague, Joel T.; Alsalme, Ali; Al-Zaqri, Nabil","Crystal structure, Hirshfeld surface analysis and DFT studies of 1,3-bis[2-methoxy-4-(prop-2-en-1-yl)phenoxy]propane","Acta Crystallographica Section E","2020","76","3","344","348","10.1107/S2056989020001681","","","1.54178","CuKα","","0.0517","0.041","","","0.1004","0.1088","","","","","","1.052","","","","has coordinates,has Fobs","248210","2020-10-21","18:00:00",""
"2243288","6.459","0.0002","7.3545","0.0003","31.3436","0.0012","90","","90","","90","","1488.91","0.1","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-5-[(<i>R</i>)-3-(4-Chlorophenyl)-5-methyl-4,5-dihydroisoxazol-5-yl]-2-methylcyclohex-2-enone","","- C17 H18 Cl N O2 -","- C17 H18 Cl N O2 -","- C68 H72 Cl4 N4 O8 -","4","1","IS5530","Oubella, Ali; Ait Itto, My Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Daran, Jean-Claude; Auhmani, Abdelwahed","Crystal structure of (<i>R</i>)-5-[(<i>R</i>)-3-(4-chlorophenyl)-5-methyl-4,5-dihydroisoxazol-5-yl]-2-methylcyclohex-2-enone","Acta Crystallographica Section E","2020","76","3","400","403","10.1107/S2056989020001991","","","0.71073","MoKα","","0.0389","0.0352","","","0.1015","0.105","","","","","","1.193","","","","has coordinates,has Fobs","248281","2020-10-21","18:00:00",""
"2243289","12.837","0.0007","20.1241","0.0014","15.2568","0.0009","90","","110.871","0.006","90","","3682.7","0.4","223","2","223","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Diiodido{<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(<i>N</i>-methylaniline)-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^}cadmium(II)","","- C36 H40 Cd I2 N6 -","- C36 H40 Cd I2 N6 -","- C144 H160 Cd4 I8 N24 -","4","0.5","XI2022","Tesouro Vallina, Ana; Stoeckli-Evans, Helen","The crystal structures and Hirshfeld surface analyses of a cadmium(II) and a zinc(II) mononuclear complex of the new tetrakis-substituted pyrazine ligand <i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(<i>N</i>-methylaniline)","Acta Crystallographica Section E","2020","76","3","410","416","10.1107/S2056989020001644","","","0.71073","MoKα","","0.0467","0.0289","","","0.0674","0.0715","","","","","","0.953","","","","has coordinates,has Fobs","248282","2020-10-21","18:00:00",""
"2243290","11.9196","0.0008","12.1208","0.0008","13.919","0.001","98.222","0.008","100.313","0.008","107.58","0.007","1843.9","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Dichorido{<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(<i>N</i>-methylaniline)-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^}zinc(II) dichloromethane 0.6-solvate","","- C36.6 H41.2 Cl3.2 N6 Zn -","- C36.6 H41.2 Cl3.2 N6 Zn -","- C73.2 H82.4 Cl6.4 N12 Zn2 -","2","1","XI2022","Tesouro Vallina, Ana; Stoeckli-Evans, Helen","The crystal structures and Hirshfeld surface analyses of a cadmium(II) and a zinc(II) mononuclear complex of the new tetrakis-substituted pyrazine ligand <i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(<i>N</i>-methylaniline)","Acta Crystallographica Section E","2020","76","3","410","416","10.1107/S2056989020001644","","","0.71073","MoKα","","0.0961","0.0433","","","0.1041","0.1172","","","","","","0.785","","","","has coordinates,has Fobs","248282","2020-10-21","18:00:00",""
"2243291","13.3077","0.0005","10.3009","0.0004","13.9338","0.0005","90","","104.657","0.001","90","","1847.91","0.12","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-acetyl-3-isopropyl-2,6-diphenylpiperidine","","- C22 H27 N O -","- C22 H27 N O -","- C88 H108 N4 O4 -","4","1","DX2023","Periyannan, P.; Beemarao, M.; Karthik, K.; Ponnuswamy, S.; Ravichandran, K.","Crystal structure, Hirshfeld surface analysis and DFT studies of 1-[<i>r</i>-2,<i>c</i>-6-diphenyl-<i>t</i>-3-(propan-2-yl)piperidin-1-yl]ethan-1-one","Acta Crystallographica Section E","2020","76","3","377","381","10.1107/S2056989020002042","","","0.71073","MoKα","","0.0817","0.0532","","","0.1442","0.1691","","","","","","1.02","","","","has coordinates,has Fobs","248283","2020-10-21","18:00:00",""
"2243292","9.969","0.0005","24.8828","0.0015","8.3049","0.0004","90","","94.356","0.001","90","","2054.13","0.19","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(<i>E</i>)-3-[4-(9,9a-Dihydro-8a<i>H</i>-carbazol-9-yl)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one","","- C27 H18 N2 O3 -","- C27 H18 N2 O3 -","- C108 H72 N8 O12 -","4","1","EX2028","Zaini, Muhamad Fikri; Razak, Ibrahim Abdul; Khairul, Wan Mohd; Arshad, Suhana","Structural, Hirshfeld and DFT studies of conjugated <i>D</i>‒π‒<i>A</i> carbazole chalcone crystal","Acta Crystallographica Section E","2020","76","3","387","391","10.1107/S2056989020002054","","","0.71073","MoKα","","0.0515","0.0405","","","0.1042","0.114","","","","","","1.035","","","","has coordinates,has Fobs","248284","2020-10-21","18:00:00",""
"2243293","3.8195","0.0005","22.826","0.004","13.6381","0.0019","90","","92.829","0.011","90","","1187.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-<i>N</i>-(4-nitrobenzylidene)aniline","","- C13 H9 Cl N2 O2 -","- C13 H9 Cl N2 O2 -","- C52 H36 Cl4 N8 O8 -","4","1","","Leela, Sundararaman; Subashini, Ashokkumar; Reji, Philip; Ramamurthi, Kandasami; Stoeckli-Evans, Helen","Whole-molecule disorder of the Schiff base compound 4-chloro-<i>N</i>-(4-nitrobenzylidene)aniline: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2020","76","3","417","422","10.1107/S2056989020002212","","","0.71073","MoKα","","0.0831","0.0494","","","0.1102","0.1208","","","","","","0.978","","","","has coordinates,has disorder,has Fobs","248285","2020-10-21","18:00:00",""
"2243294","9.7577","0.0014","10.348","0.002","9.9118","0.0016","90","","101.663","0.015","90","","980.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1',1'',1'''-(Pyrazine-2,3,5,6-tetrayl)tetrakis(<i>N</i>,<i>N</i>-dimethylmethanamine)","","- C16 H32 N6 -","- C16 H32 N6 -","- C32 H64 N12 -","2","0.5","","Tesouro Vallina, Ana; Stoeckli-Evans, Helen","Crystal structures and Hirshfeld surface analyses of two new tetrakis-substituted pyrazines and a degredation product","Acta Crystallographica Section E","2020","76","3","404","409","10.1107/S2056989020002133","","","0.71073","MoKα","","0.1108","0.0602","","","0.1287","0.1536","","","","","","1.098","","","","has coordinates,has Fobs","248286","2020-10-21","18:00:00",""
"2243295","8.6753","0.001","8.916","0.0011","10.0631","0.001","85.774","0.01","73.468","0.011","82.467","0.011","739.21","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[Pyrazine-2,3,5,6\ tetrayltetrakis(methylene)]tetrakis(<i>N</i>-methylaniline)","","- C36 H40 N6 -","- C36 H40 N6 -","- C36 H40 N6 -","1","0.5","","Tesouro Vallina, Ana; Stoeckli-Evans, Helen","Crystal structures and Hirshfeld surface analyses of two new tetrakis-substituted pyrazines and a degredation product","Acta Crystallographica Section E","2020","76","3","404","409","10.1107/S2056989020002133","","","0.71073","MoKα","","0.0811","0.0493","","","0.0939","0.108","","","","","","1.116","","","","has coordinates,has Fobs","248286","2020-10-21","18:00:00",""
"2243296","8.686","0.001","9.7731","0.0011","14.3948","0.0016","85.915","0.013","75.349","0.013","78.891","0.013","1159.8","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-[(6-Phenyl-6,7-dihydro-5<i>H</i>-pyrrolo[3,4-\ <i>b</i>]pyrazine-2,3-diyl)bis(methylene)]bis(<i>N</i>-methylaniline)","","- C28 H29 N5 -","- C28 H29 N5 -","- C56 H58 N10 -","2","1","","Tesouro Vallina, Ana; Stoeckli-Evans, Helen","Crystal structures and Hirshfeld surface analyses of two new tetrakis-substituted pyrazines and a degredation product","Acta Crystallographica Section E","2020","76","3","404","409","10.1107/S2056989020002133","","","0.71073","MoKα","","0.1221","0.0353","","","0.0692","0.0791","","","","","","0.682","","","","has coordinates,has Fobs","248286","2020-10-21","18:00:00",""
"2243297","8.9922","0.0014","16.461","0.003","24.835","0.004","90","","92.491","0.006","90","","3672.6","1.1","150","","150","","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","Bis{(<i>E</i>)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olato}copper(II) dimethyl sulfoxide monosolvate","","- C34 H22 Br6 Cu N4 O3 S -","- C34 H22 Br6 Cu N4 O3 S -","- C136 H88 Br24 Cu4 N16 O12 S4 -","4","1","TX2018","Chetioui, Souheyla; Bougueria, Hassiba; Brihi, Ouarda; Boutebdja, Mehdi; Bouroumane, Nadia; Merazig, Hocine; Touzani, Rachid","Crystal structure, characterization and Hirshfeld analysis of bis{(<i>E</i>)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olato}copper(II) dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2020","76","3","382","386","10.1107/S2056989020001863","","x-ray","0.7107","MoKα","","0.1033","0.0442","","","0.0844","0.0985","","","","","","0.924","","","","has coordinates,has disorder,has Fobs","248289","2020-10-21","18:00:00",""
"2243298","12.138","0.008","8.336","0.005","15.872","0.009","90","","93.91","0.016","90","","1602.2","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(Benzylideneamino)-5-phenylthiazolidin-2-iminium bromide","","- C16 H16 Br N3 S -","- C16 H16 Br N3 S -","- C64 H64 Br4 N12 S4 -","4","1","RZ5269","Duruskari, Gulnara Sh.; Akkurt, Mehmet; Mammadova, Gunay Z.; Chyrka, Taras; Maharramov, Abel M.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-(benzylideneamino)-5-phenylthiazolidin-2-iminium bromide","Acta Crystallographica Section E","2020","76","3","427","431","10.1107/S2056989020001899","","","0.71073","MoKα","","0.0518","0.0397","","","0.101","0.1107","","","","","","1.055","","","","has coordinates,has Fobs","248398","2020-10-21","18:00:00",""
"2243299","8.5623","0.0003","10.5377","0.0003","24.4439","0.0007","90","","90.768","0.003","90","","2205.3","0.12","298","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Aqua-1κ<i>O</i>-bis(μ~2~-2-iminomethyl-6-methoxyphenolato-1κ^2^<i>O</i>^1^,<i>O</i>^6^:2κ^2^<i>O</i>^1^,<i>N</i>)bis(thiocyanato-1κ<i>N</i>)calcium(II)copper(II)","","- C18 H18 Ca Cu N4 O5 S2 -","- C18 H18 Ca Cu N4 O5 S2 -","- C72 H72 Ca4 Cu4 N16 O20 S8 -","4","1","IS5531","Plyuta, Nataliya; Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Omelchenko, Iryna; Petrusenko, Svitlana","A binuclear Cu^II^/Ca^II^ thiocyanate complex with a Schiff base ligand derived from <i>o</i>-vanillin and ammonia","Acta Crystallographica Section E","2020","76","3","423","426","10.1107/S205698902000211X","","x-ray","0.71073","MoKα","","0.0838","0.0442","","","0.089","0.1034","","","","","","1.023","","","","has coordinates,has Fobs","248399","2020-10-21","18:00:00",""
"2243300","8.706","0.003","13.753","0.005","14.683","0.005","116.142","0.011","93.871","0.012","96.985","0.012","1552","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","2-Methoxy-6-nitro-4-(prop-2-en-1-yl)phenol","4-Allyl-2-methoxy-6-nitrophenol","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C60 H66 N6 O24 -","6","3","RZ5270","El Ghallab, Yassine; Derfoufi, Sanae; Ketatni, El Mostafa; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure and Hirshfeld surface analysis of 4-allyl-2-methoxy-6-nitrophenol","Acta Crystallographica Section E","2020","76","3","461","465","10.1107/S2056989020002601","","","0.71073","MoKα","","0.0655","0.0473","","","0.1208","0.1339","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","248567","2020-10-21","18:00:00",""
"2243301","7.5347","0.0001","8.2581","0.0001","9.6157","0.0001","77.876","0.001","86.132","0.001","69.682","0.001","548.56","0.012","173","2","172.99","","","","","","","","","5","P -1","-P 1","2","<i>N</i>,<i>N</i>-(Butane-1,4-diyl)-4-methylbenzenesulfonamide","1-[(4-Methylbenzene)sulfonyl]pyrrolidine","","- C11 H15 N O2 S -","- C11 H15 N O2 S -","- C22 H30 N2 O4 S2 -","2","1","WM5540","Stenfors, Brock A.; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N.","Crystal structure of 1-[(4-methylbenzene)sulfonyl]pyrrolidine","Acta Crystallographica Section E","2020","76","3","452","455","10.1107/S205698902000208X","","","1.54178","CuKα","","0.0475","0.0414","","","0.1148","0.1196","","","","","","1.088","","","","has coordinates,has Fobs","248568","2020-10-21","18:00:00",""
"2243302","7.7418","0.0008","13.856","0.003","36.197","0.005","90","","90","","90","","3882.9","1.1","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[Bis(benzylsulfanyl)methyl]-6-methoxyphenol","","- C22 H22 O2 S2 -","- C22 H22 O2 S2 -","- C176 H176 O16 S16 -","8","1","VM2228","Raghuvanshi, Abhinav; Knauer, Lena; Viau, Lydie; Knorr, Michael; Strohmann, Carsten","Crystal structure of 2-[bis(benzylsulfanyl)methyl]-6-methoxyphenol","Acta Crystallographica Section E","2020","76","4","484","487","10.1107/S2056989020002091","","x-ray","0.71073","MoKα","","0.0403","0.0338","","","0.076","0.0792","","","","","","1.088","","","","has coordinates","248728","2020-10-21","18:00:00",""
"2243303","23.473","0.0012","3.7262","0.0002","13.9102","0.0007","90","","95.687","0.002","90","","1210.67","0.11","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,6-Bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine dihydrate","","- C10 H12 N8 O2 -","- C10 H12 N8 O2 -","- C40 H48 N32 O8 -","4","0.5","HB7895","Khotchasanthong, Kenika; Jittirattanakun, Siripak; Chainok, Kittipong","Crystal structure and Hirshfeld surface analysis of 3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine dihydrate","Acta Crystallographica Section E","2020","76","4","473","476","10.1107/S2056989020002765","","x-ray","0.71073","MoKα","","0.0688","0.0533","","","0.1579","0.1739","","","","","","1.051","","","","has coordinates,has Fobs","248729","2020-10-21","18:00:00",""
"2243304","7.3709","0.0004","7.5063","0.0004","12.4247","0.0006","84.126","0.004","76.694","0.004","62.372","0.004","592.69","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-1-(5-Chlorothiophen-2-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-\ one‒(<i>Z</i>)-1-(5-chlorothiophen-2-yl)-3-(3-methylthiophen-2-yl)prop-\ 1-en-1-ol (0.93/0/07)","","- C12 H9.14 Cl O S2 -","- C12 H9.14 Cl O S2 -","- C24 H18.28 Cl2 O2 S4 -","2","1","HB7894","Al-Refai, Mahmoud; Ali, Basem F.; Geyer, Armin; Harms, Klaus; Marsch, Michael","Unexpected formation of a co-crystal containing the chalcone (<i>E</i>)-1-(5-chlorothiophen-2-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one and the keto‒enol tautomer (<i>Z</i>)-1-(5-chlorothiophen-2-yl)-3-(3-methylthiophen-2-yl)prop-1-en-1-ol","Acta Crystallographica Section E","2020","76","4","477","480","10.1107/S2056989020002583","","","1.54186","CuKα","","0.0344","0.0323","","","0.0872","0.0884","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","248730","2020-10-21","18:00:00",""
"2243305","9.2139","0.0004","8.8122","0.0004","18.3486","0.0007","90","","104.521","0.004","90","","1442.22","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(5-amino-1-benzenesulfonyl-3-oxo-2,3-dihydro-1<i>H</i>-pyrazol-2-yl)acetate","","- C13 H15 N3 O5 S -","- C13 H15 N3 O5 S -","- C52 H60 N12 O20 S4 -","4","1","NR2077","Metwally, Nadia H.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of ethyl 2-(5-amino-1-benzenesulfonyl-3-oxo-2,3-dihydro-1<i>H</i>-pyrazol-2-yl)acetate","Acta Crystallographica Section E","2020","76","4","481","483","10.1107/S2056989020002674","","","0.71073","MoKα","","0.0419","0.0351","","","0.0825","0.0853","","","","","","1.107","","","","has coordinates,has Fobs","248731","2020-10-21","18:00:00",""
"2243307","9.2846","0.0007","9.2846","0.0007","38.069","0.004","90","","90","","90","","3281.7","0.5","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","Bis(4'-chloro-2,2':6',2''-terpyridyl)cobalt(II) dichloride tetrahydrate","","- C30 H28 Cl4 Co N6 O4 -","- C30 H28 Cl4 Co N6 O4 -","- C120 H112 Cl16 Co4 N24 O16 -","4","0.25","HB7878","Thippeswamy, B.; Suchetan, P. A.; Mahadevan, K. M.; Nagabhushana, H.; Vijayakumar, G. R.","Crystal structure and photoluminescent properties of bis(4'-chloro-2,2':6',2''-terpyridyl)cobalt(II) dichloride tetrahydrate","Acta Crystallographica Section E","2020","76","4","496","499","10.1107/S205698902000287X","","","0.71073","MoKα","","0.0604","0.0438","","","0.118","0.1274","","","","","","1.075","","","","has coordinates,has Fobs","249115","2020-10-21","18:00:00",""
"2243308","6.9683","0.0007","7.9683","0.0008","18.975","0.002","90","","90","","90","","1053.6","0.19","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>N</i>-(4-Methoxyphenyl)piperazine","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C44 H64 N8 O4 -","4","1","ZL2772","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Harish Chinthal, Chayanna; Foro, Sabine; Glidewell, Christopher","Crystal structures of the recreational drug <i>N</i>-(4-methoxyphenyl)piperazine (MeOPP) and three of its salts","Acta Crystallographica Section E","2020","76","4","488","495","10.1107/S2056989020002844","","","0.71073","MoKα","","0.0508","0.0355","","","0.0815","0.0884","","","","","","1.062","","","","has coordinates,has Fobs","249116","2020-10-21","18:00:00",""
"2243309","7.4365","0.0004","10.6276","0.0006","13.27","0.0006","92.238","0.004","97.057","0.004","108.618","0.005","982.92","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(4-Methoxyphenyl)piperazin-1-ium 3,5-dinitrobenzoate","","- C18 H20 N4 O7 -","- C18 H20 N4 O7 -","- C36 H40 N8 O14 -","2","1","ZL2772","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Harish Chinthal, Chayanna; Foro, Sabine; Glidewell, Christopher","Crystal structures of the recreational drug <i>N</i>-(4-methoxyphenyl)piperazine (MeOPP) and three of its salts","Acta Crystallographica Section E","2020","76","4","488","495","10.1107/S2056989020002844","","","0.71073","MoKα","","0.06","0.0406","","","0.1","0.1097","","","","","","1.024","","","","has coordinates,has Fobs","249116","2020-10-21","18:00:00",""
"2243310","8.7568","0.0006","6.6292","0.0005","34.024","0.002","90","","96.987","0.006","90","","1960.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4-Methoxyphenyl)piperazin-1-ium 2,4,6-trinitrophenolate","","- C17 H19 N5 O8 -","- C17 H19 N5 O8 -","- C68 H76 N20 O32 -","4","1","ZL2772","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Harish Chinthal, Chayanna; Foro, Sabine; Glidewell, Christopher","Crystal structures of the recreational drug <i>N</i>-(4-methoxyphenyl)piperazine (MeOPP) and three of its salts","Acta Crystallographica Section E","2020","76","4","488","495","10.1107/S2056989020002844","","","0.71073","MoKα","","0.097","0.0575","","","0.1196","0.136","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","249116","2020-10-21","18:00:00",""
"2243311","6.259","0.0007","7.4549","0.0009","19.269","0.002","83.28","0.01","84.74","0.001","85.38","0.01","886.94","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(4-Methoxyphenyl)piperazin-1-ium 4-aminobenzoate monohydrate","","- C18 H25 N3 O4 -","- C18 H25 N3 O4 -","- C36 H50 N6 O8 -","2","1","ZL2772","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Harish Chinthal, Chayanna; Foro, Sabine; Glidewell, Christopher","Crystal structures of the recreational drug <i>N</i>-(4-methoxyphenyl)piperazine (MeOPP) and three of its salts","Acta Crystallographica Section E","2020","76","4","488","495","10.1107/S2056989020002844","","","0.71073","MoKα","","0.1315","0.0688","","","0.16","0.1868","","","","","","1.069","","","","has coordinates,has Fobs","249116","2020-10-21","18:00:00",""
"2243312","8.0932","0.0014","13.744","0.003","12.429","0.002","90","","92.29","0.006","90","","1381.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1<i>H</i>-purin-9-ium aquatrichloridozincate(II)","","- C7 H11 Cl3 N4 O3 Zn -","- C7 H11 Cl3 N4 O3 Zn -","- C28 H44 Cl12 N16 O12 Zn4 -","4","1","HB7891","El Hamdani, Hicham; El Amane, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure and Hirshfeld surface analysis of (C~7~H~9~N~4~O~2~)[ZnCl~3~(H~2~O)]","Acta Crystallographica Section E","2020","76","4","506","509","10.1107/S2056989020002753","","","0.71073","MoKα","","0.0287","0.0253","","","0.0672","0.0698","","","","","","1.04","","","","has coordinates,has Fobs","249271","2020-10-21","18:00:00",""
"2243313","7.061","0.0014","8.674","0.0017","10.775","0.002","77.61","0.03","88.2","0.03","79.39","0.03","633.5","0.2","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","1,4,8,11-Tetramethyl-1,4,8,11-tetraazoniacyclotetradecane bis[chloridochromate(VI)] dichloride","","- C14 H36 Cl4 Cr2 N4 O6 -","- C14 H36 Cl4 Cr2 N4 O6 -","- C14 H36 Cl4 Cr2 N4 O6 -","1","0.5","VM2229","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of 1,4,8,11-tetramethyl-1,4,8,11-tetraazoniacyclotetradecane bis[chloridochromate(VI)] dichloride from synchrotron X-ray data","Acta Crystallographica Section E","2020","76","4","523","526","10.1107/S2056989020003059","","","0.61","synchrotron","","0.0512","0.0504","","","0.1486","0.1496","","","","","","1.078","","","","has coordinates,has Fobs","249272","2020-10-21","18:00:00",""
"2243314","8.1775","0.0017","6.7722","0.0014","12.305","0.003","90","","99.664","0.003","90","","671.8","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ammonium μ-oxido-μ-[1,5,6-trihydroxyhexane-2,3,4-tris(olato)]bis[dioxidomolybdenum(V)] monohydrate","","- C6 H17 Mo2 N O12 -","- C6 H17 Mo2 N O12 -","- C12 H34 Mo4 N2 O24 -","2","1","","Mirzaei, Masoud; Tahmasebi, Morteza; Mague, Joel T.","A redetermination of the crystal structure of the mannitol complex NH~4~[Mo~2~O~5~(C~6~H~11~O~6~)]·H~2~O: hydrogen-bonding scheme and Hirshfeld surface analysis","Acta Crystallographica Section E","2020","76","4","518","522","10.1107/S2056989020002935","","","0.71073","MoKα","","0.0199","0.0187","","","0.0491","0.0495","","","","","","1.054","","","","has coordinates,has Fobs","249273","2020-10-21","18:00:00",""
"2243315","19.77","0.013","9.477","0.006","17.62","0.012","90","","105.78","0.02","90","","3177","4","200","2","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis{[2-(4-hydroxy-1<i>H</i>-indol-3-yl)ethyl](methyl)propan-2-ylazanium} but-2-enedioate","","- C16 H22 N2 O3 -","- C16 H22 N2 O3 -","- C128 H176 N16 O24 -","8","1","ZL2774","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","Bis(4-hydroxy-<i>N</i>-isopropyl-<i>N</i>-methyltryptammonium) fumarate: a new crystalline form of miprocin","Acta Crystallographica Section E","2020","76","4","514","517","10.1107/S2056989020002923","","","0.71073","MoKα","","0.0775","0.0466","","","0.0929","0.1054","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","249274","2020-10-21","18:00:00",""
"2243316","12.1175","0.0005","18.7705","0.0006","12.3246","0.0004","90","","110.232","0.004","90","","2630.29","0.18","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquabis(6-fluoropyridine-3-carboxylato-κ<i>O</i>)nickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] trihydrate]","","- C22 H24 F2 N4 Ni O9 -","- C22 H24 F2 N4 Ni O9 -","- C88 H96 F8 N16 Ni4 O36 -","4","0.5","XI2024","Politeo, Nives; Pisačić, Mateja; Daković, Marijana; Sokol, Vesna; Kukovec, Boris-Marko","The first coordination compound of 6-fluoronicotinate: the crystal structure of a one-dimensional nickel(II) coordination polymer containing the mixed ligands 6-fluoronicotinate and 4,4'-bipyridine","Acta Crystallographica Section E","2020","76","4","500","505","10.1107/S2056989020003023","","","0.71073","MoKα","","0.0415","0.0321","","","0.0702","0.0733","","","","","","1.025","","","","has coordinates,has Fobs","249275","2020-10-21","18:00:00",""
"2243317","4.1027","0.0004","12.1789","0.0018","8.1014","0.0008","90","","95.78","0.012","90","","402.74","0.08","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Poly[(μ-5,7-dihydro-1<i>H</i>,3<i>H</i>-dithieno[3,4-<i>b</i>;3',4'-<i>e</i>]pyrazine-κ^2^<i>S</i>:<i>S</i>')(μ-nitrato-κ^2^<i>O</i>:<i>O</i>')silver(I)]","","- C8 H8 N2 S2 -","- C8 H8 N2 S2 -","- C16 H16 N4 S4 -","2","0.5","LH5951","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Silver(I) nitrate two-dimensional coordination polymers of two new pyrazinethiophane ligands: 5,7-dihydro-1<i>H</i>,3<i>H</i>-dithieno[3,4-<i>b</i>:3',4'-<i>e</i>]pyrazine and 3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine","Acta Crystallographica Section E","2020","76","4","539","546","10.1107/S205698902000362X","","","0.71073","MoKα","","0.0849","0.0736","","","0.1719","0.1804","","","","","","1.026","","","","has coordinates,has Fobs","249387","2020-10-21","18:00:00",""
"2243318","21.1618","0.0018","7.0585","0.0005","9.5057","0.0007","90","","94.47","0.01","90","","1415.55","0.19","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[[μ~3~3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>;6',7'-<i>e</i>]pyrazine-κ^3^<i>S</i>:<i>S</i>':<i>S</i>''](nitrato-κ<i>O</i>)silver(I)]","","- C12 H16 N2 S4 -","- C12 H16 N2 S4 -","- C48 H64 N8 S16 -","4","0.5","LH5951","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Silver(I) nitrate two-dimensional coordination polymers of two new pyrazinethiophane ligands: 5,7-dihydro-1<i>H</i>,3<i>H</i>-dithieno[3,4-<i>b</i>:3',4'-<i>e</i>]pyrazine and 3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine","Acta Crystallographica Section E","2020","76","4","539","546","10.1107/S205698902000362X","","","0.71073","MoKα","","0.0318","0.0264","","","0.0689","0.0706","","","","","","1.047","","","","has coordinates,has Fobs","249387","2020-10-21","18:00:00",""
"2243319","3.8995","0.0003","6.3902","0.0006","20.5741","0.0018","90","","93.121","0.009","90","","511.92","0.08","223","2","223","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C8 H8 Ag N3 O3 S2 -","- C8 H8 Ag N3 O3 S2 -","- C16 H16 Ag2 N6 O6 S4 -","2","0.5","LH5951","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Silver(I) nitrate two-dimensional coordination polymers of two new pyrazinethiophane ligands: 5,7-dihydro-1<i>H</i>,3<i>H</i>-dithieno[3,4-<i>b</i>:3',4'-<i>e</i>]pyrazine and 3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine","Acta Crystallographica Section E","2020","76","4","539","546","10.1107/S205698902000362X","","","0.71073","MoKα","","0.017","0.0156","","","0.0406","0.0412","","","","","","1.145","","","","has coordinates,has Fobs","249387","2020-10-21","18:00:00",""
"2243320","7.0777","0.0006","12.0654","0.0007","19.5725","0.0018","90","","90.446","0.01","90","","1671.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Ag N3 O3 S4 -","- C12 H16 Ag N3 O3 S4 -","- C48 H64 Ag4 N12 O12 S16 -","4","1","LH5951","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Silver(I) nitrate two-dimensional coordination polymers of two new pyrazinethiophane ligands: 5,7-dihydro-1<i>H</i>,3<i>H</i>-dithieno[3,4-<i>b</i>:3',4'-<i>e</i>]pyrazine and 3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine","Acta Crystallographica Section E","2020","76","4","539","546","10.1107/S205698902000362X","","","0.71073","MoKα","","0.0526","0.0293","","","0.0549","0.0586","","","","","","0.848","","","","has coordinates,has Fobs","249387","2020-10-21","18:00:00",""
"2243321","6.6286","0.0004","8.1569","0.0005","12.0061","0.0008","96.803","0.003","101.506","0.003","98.511","0.003","621.73","0.07","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","(4-Chlorophenyl)(4-methylpiperidin-1-yl)methanone","","- C13 H16 Cl N O -","- C13 H16 Cl N O -","- C26 H32 Cl2 N2 O2 -","2","1","JJ2221","Srividya, J.; Reuben Jonathan, D.; Revathi, B. K.; Divya Bharathi, M.; Anbalagan, G.","Crystal structure of (4-chlorophenyl)(4-methylpiperidin-1-yl)methanone","Acta Crystallographica Section E","2020","76","4","534","538","10.1107/S2056989020001930","","","0.71073","MoKα","","0.0655","0.0487","","","0.1284","0.1435","","","","","","1.051","","","","has coordinates,has Fobs","249388","2020-10-21","18:00:00",""
"2243322","9.7919","0.0014","14.5757","0.0013","12.114","0.0012","90","","107.694","0.006","90","","1647.2","0.3","100","2","99.97","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)(1,3,5-triaza-7-phosphaadamantane)molybdenum(II)","","- C15 H20 Mo N3 O3 P -","- C15 H20 Mo N3 O3 P -","- C60 H80 Mo4 N12 O12 P4 -","4","1","","Anstey, Mitchell R.; Bost, John L.; Grumman, Anna S.; Kennedy, Nicholas D.; Whited, Matthew T.","Crystal structures of <i>trans</i>-acetyldicarbonyl(η^5^-cyclopentadienyl)(1,3,5-triaza-7-phosphaadamantane)molybdenum(II) and <i>trans</i>-acetyldicarbonyl(η^5^-cyclopentadienyl)(3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane)molybdenum(II)","Acta Crystallographica Section E","2020","76","4","547","551","10.1107/S2056989020003679","","","0.71073","MoKα","","0.0255","0.0201","","","0.0407","0.0425","","","","","","1.067","","","","has coordinates,has Fobs","249473","2020-10-21","18:00:00",""
"2243323","12.8674","0.0004","11.6366","0.0003","14.4655","0.0005","90","","113.224","0.004","90","","1990.45","0.12","99.97","0.13","99.97","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)(3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane)molybdenum(II)","","- C18 H24 Mo N3 O5 P -","- C18 H24 Mo N3 O5 P -","- C72 H96 Mo4 N12 O20 P4 -","4","1","","Anstey, Mitchell R.; Bost, John L.; Grumman, Anna S.; Kennedy, Nicholas D.; Whited, Matthew T.","Crystal structures of <i>trans</i>-acetyldicarbonyl(η^5^-cyclopentadienyl)(1,3,5-triaza-7-phosphaadamantane)molybdenum(II) and <i>trans</i>-acetyldicarbonyl(η^5^-cyclopentadienyl)(3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane)molybdenum(II)","Acta Crystallographica Section E","2020","76","4","547","551","10.1107/S2056989020003679","","x-ray","0.71073","MoKα","","0.0355","0.0276","","","0.0586","0.0609","","","","","","1.094","","","","has coordinates,has Fobs","249473","2020-10-21","18:00:00",""
"2243324","12.06","0.0008","4.4531","0.0003","19.9528","0.0013","90","","102.228","0.002","90","","1047.24","0.12","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-<i>N</i>'-(Pyridin-4-ylmethylidene)thiophene-2-carbohydrazide","","- C11 H9 N3 O S -","- C11 H9 N3 O S -","- C44 H36 N12 O4 S4 -","4","1","RZ5271","Mossine, Valeri V.; Kelley, Steven P.; Mawhinney, Thomas P.","Intramolecular 1,5-S···N σ-hole interaction in (<i>E</i>)-<i>N</i>'-(pyridin-4-ylmethylidene)thiophene-2-carbohydrazide","Acta Crystallographica Section E","2020","76","4","557","561","10.1107/S2056989020003011","","","0.71073","MoKα","","0.0646","0.0397","","","0.0917","0.1013","","","","","","1.031","","","","has coordinates,has Fobs","249474","2020-10-21","18:00:00",""
"2243325","16.094","0.0014","8.8747","0.0008","10.558","0.001","90","","105.654","0.003","90","","1452.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>R</i>,<i>S</i>)-2-Hydroxy-4-(methylsulfanyl)butanoic acid","","- C5 H10 O3 S -","- C5 H10 O3 S -","- C40 H80 O24 S8 -","8","2","LH5949","Mawhinney, Thomas P.; Li, Yiyi; Chance, Deborah L.; Kelley, Steven P.; Mossine, Valeri V.","Crystal structure of (<i>R</i>,<i>S</i>)-2-hydroxy-4-(methylsulfanyl)butanoic acid","Acta Crystallographica Section E","2020","76","4","562","566","10.1107/S2056989020003138","","","0.71073","MoKα","","0.0648","0.0444","","","0.0967","0.1058","","","","","","1.054","","","","has coordinates,has Fobs","249475","2020-10-21","18:00:00",""
"2243326","8.1049","0.0007","11.6979","0.001","12.081","0.0012","90","","90.069","0.009","90","","1145.4","0.18","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","1,3-Dimethoxy-2-(methylsulfanyl)imidazolium tetrafluoridoborate","","- C6 H11 B F4 N2 O2 S -","- C6 H11 B F4 N2 O2 S -","- C24 H44 B4 F16 N8 O8 S4 -","4","1","WM5549","Gelbrich, Thomas; Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Huppertz, Hubert; Schottenberger, Herwig","Synthesis and crystal structures of two 1,3-di(alkyloxy)-2-(methylsulfanyl)imidazolium tetrafluoridoborates","Acta Crystallographica Section E","2020","76","4","552","556","10.1107/S2056989020003643","","x-ray","0.71073","MoKα","","0.0585","0.0371","","","0.0765","0.0882","","","","","","1.038","","","","has coordinates,has Fobs","249476","2020-10-21","18:00:00",""
"2243327","7.9117","0.0003","11.476","0.0004","20.9659","0.0007","90","","90","","90","","1903.59","0.12","173","2","173","2","","","","","","","","7","P c 21 b","P -2bc -2c","29","","1,3-Dibenzyloxy-2-(methylsulfanyl)imidazolium tetrafluoridoborate","","- C18 H19 B F4 N2 O2 S -","- C18 H19 B F4 N2 O2 S -","- C72 H76 B4 F16 N8 O8 S4 -","4","1","WM5549","Gelbrich, Thomas; Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Huppertz, Hubert; Schottenberger, Herwig","Synthesis and crystal structures of two 1,3-di(alkyloxy)-2-(methylsulfanyl)imidazolium tetrafluoridoborates","Acta Crystallographica Section E","2020","76","4","552","556","10.1107/S2056989020003643","","","0.71073","MoKα","","0.0336","0.0296","","","0.0654","0.0674","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","249476","2020-10-21","18:00:00",""
"2243328","4.2951","0.0002","16.7714","0.0009","18.0537","0.0011","90","","95.941","0.002","90","","1293.51","0.12","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,4-Dihydro-2<i>H</i>-anthra[1,2-<i>b</i>][1,4]dioxepine-8,13-dione","","- C17 H12 O4 -","- C17 H12 O4 -","- C68 H48 O16 -","4","1","HB7899","Zazouli, Sofia; Chigr, Mohammed; Jouaiti, Ahmed; Kyritsakas, Nathalie; Ketatni, El Mostafa","Crystal structure and Hirshfeld surface analysis of 3,4-dihydro-2<i>H</i>-anthra[1,2-<i>b</i>][1,4]dioxepine-8,13-dione","Acta Crystallographica Section E","2020","76","4","576","580","10.1107/S2056989020003965","","","0.71073","MoKα","","0.0895","0.055","","","0.1288","0.1493","","","","","","1.025","","","","has coordinates,has Fobs","249818","2020-10-21","18:00:00",""
"2243329","7.1676","0.0005","9.1175","0.0007","10.1554","0.0008","66.174","0.006","80.225","0.006","71.803","0.006","576.01","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-3-hydroxypyridin-1-ium 6-methyl-2,2,4-trioxo-2<i>H</i>,4<i>H</i>-1,2,3-oxathiazin-3-ide","","- C9 H11 N3 O5 S -","- C9 H11 N3 O5 S -","- C18 H22 N6 O10 S2 -","2","1","YK2127","Kansiz, Sevgi; Faizi, Md. Serajul Haque; Aydin, Tansu Merve; Dege, Necmi; Icbudak, Hasan; Golenya, Irina A.","Crystal structure and Hirshfeld surface analysis of 2-amino-3-hydroxypyridin-1-ium 6-methyl-2,2,4-trioxo-2<i>H</i>,4<i>H</i>-1,2,3-oxathiazin-3-ide","Acta Crystallographica Section E","2020","76","4","572","575","10.1107/S2056989020003813","","","0.71073","MoKα","","0.0473","0.0398","","","0.1101","0.1143","","","","","","1.082","","","","has coordinates,has Fobs","249819","2020-10-21","18:00:00",""
"2243330","9.406","0.0016","8.8436","0.0015","12.144","0.002","90","","100.601","0.007","90","","992.9","0.3","297","2","297.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Hydroxy-<i>N</i>-methyltryptamine","3-[2-(Methylamino)ethyl]-1<i>H</i>-indol-4-ol","","- C11 H14 N2 O -","- C11 H14 N2 O -","- C44 H56 N8 O4 -","4","1","PK2623","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","Norpsilocin: freebase and fumarate salt","Acta Crystallographica Section E","2020","76","4","589","593","10.1107/S2056989020004077","","","0.71073","MoKα","","0.0448","0.0375","","","0.0958","0.1048","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","249820","2020-10-21","18:00:00",""
"2243331","7.7363","0.001","9.7146","0.0012","9.7854","0.0013","105.524","0.004","110.554","0.004","97.167","0.004","643.69","0.15","297","2","297.15","","","","","","","","","4","P -1","-P 1","2","4-Hydroxy-<i>N</i>-methyltryptammonium fumarate","Bis{[2-(4-hydroxy-1<i>H</i>-indol-3-yl)ethyl]methylazanium} but-2-enedioate","","- C13 H16 N2 O3 -","- C13 H16 N2 O3 -","- C26 H32 N4 O6 -","2","1","PK2623","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","Norpsilocin: freebase and fumarate salt","Acta Crystallographica Section E","2020","76","4","589","593","10.1107/S2056989020004077","","","0.71073","MoKα","","0.0619","0.0391","","","0.09","0.0983","","","","","","1.106","","","","has coordinates,has Fobs","249820","2020-10-21","18:00:00",""
"2243332","8.3252","0.0001","17.1485","0.0003","9.3505","0.0001","90","","116.249","0.001","90","","1197.26","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[(Morpholin-4-yl)carbothioyl]benzoic acid","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C48 H52 N4 O12 S4 -","4","1","DX2024","Agnimonhan, Finagnon Hyacinthe; Bendeif, El-Eulmi; Akanni, Léon Ahoussi; Gbaguidi, Ahokannou Fernand; Martin, Eddy; Wenger, Emmanuel; Lecomte, Claude","Crystal structure of a new phenyl(morpholino)methanethione derivative: 4-[(morpholin-4-yl)carbothioyl]benzoic acid","Acta Crystallographica Section E","2020","76","4","581","584","10.1107/S2056989020003977","","","0.71073","MoKα","","0.052","0.0477","","","0.1278","0.1312","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","249821","2020-10-21","18:00:00",""
"2243333","10.578","0.0002","18.419","0.0005","14.398","0.0003","90","","108.791","0.001","90","","2655.73","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","10-Benzyl-9-(3-ethoxy-4-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","","- C32 H37 N O4 -","- C32 H37 N O4 -","- C128 H148 N4 O16 -","4","1","IS5533","Suresh Babu, N.; Sughanya, V.; Dhandapani, A.; Kalaivanan, R.","Crystal structure, Hirshfeld surface and frontier molecular orbital analysis of 10-benzyl-9-(3-ethoxy-4-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2020","76","4","585","588","10.1107/S2056989020004065","","","0.71073","MoKα","","0.0728","0.0491","","","0.1189","0.1385","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","249822","2020-10-21","18:00:00",""
"2243334","9.6659","0.0007","14.0682","0.0011","14.4869","0.0013","90","","90","","90","","1970","0.3","296","2","296","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Chloro-<i>N</i>-[4-(methylsulfanyl)phenyl]acetamide","","- C9 H10 Cl N O S -","- C9 H10 Cl N O S -","- C72 H80 Cl8 N8 O8 S8 -","8","1","ZQ2250","Mongkholkeaw, Sitthichok; Songsasen, Apisit; Duangthongyou, Tanwawan; Chainok, Kittipong; Suramitr, Songwut; Wattanathana, Worawat; Wannalerse, Boontana","Crystal structure, Hirshfeld surface analysis and computational study of 2-chloro-<i>N</i>-[4-(methylsulfanyl)phenyl]acetamide","Acta Crystallographica Section E","2020","76","4","594","598","10.1107/S2056989020002960","","","0.71073","MoKα","","0.0764","0.047","","","0.1112","0.1274","","","","","","1.022","","","","has coordinates,has Fobs","249910","2020-10-21","18:00:00",""
"2243335","13.359","0.002","20.413","0.003","9.747","0.0015","90","","98.326","0.003","90","","2630","0.7","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bufbd02","({[(2,2-Bis{[(2-oxidobenzylidene)amino-κ^2^<i>N</i>,<i>O</i>]methyl}propyl)imino]methyl}phenololato-κ^2^<i>N</i>,<i>O</i>)gallium(III) pyridine monosolvate","","- C31 H29 Ga N4 O3 -","- C31 H29 Ga N4 O3 -","- C124 H116 Ga4 N16 O12 -","4","1","EX2030","Ventura, Dominic L.; Brennessel, William W.; Durfee, William S.","Crystal structures of {1,1,1-tris[(salicylaldimino)methyl]ethane}gallium as both a pyridine solvate and an acetonitrile 0.75-solvate and {1,1,1-tris[(salicylaldimino)methyl]ethane}indium dichloromethane solvate","Acta Crystallographica Section E","2020","76","5","615","620","10.1107/S2056989020004375","","","0.71073","MoKα","","0.1093","0.05","","","0.0993","0.1202","","","","","","1.002","","","","has coordinates,has Fobs","250121","2020-10-21","18:00:00",""
"2243336","10.9053","0.0006","14.1157","0.0008","16.2324","0.0009","93.915","0.001","103.12","0.001","97.6","0.001","2399.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bufbd01","({[(2,2-Bis{[(2-oxidobenzylidene)amino-κ^2^<i>N</i>,<i>O</i>]methyl}propyl)imino]methyl}phenololato-κ^2^<i>N</i>,<i>O</i>)gallium(III) acetonitrile 0.75-solvate","","- C27.5 H26.25 Ga N3.75 O3 -","- C27.5 H26.25 Ga N3.75 O3 -","- C110 H105 Ga4 N15 O12 -","4","2","EX2030","Ventura, Dominic L.; Brennessel, William W.; Durfee, William S.","Crystal structures of {1,1,1-tris[(salicylaldimino)methyl]ethane}gallium as both a pyridine solvate and an acetonitrile 0.75-solvate and {1,1,1-tris[(salicylaldimino)methyl]ethane}indium dichloromethane solvate","Acta Crystallographica Section E","2020","76","5","615","620","10.1107/S2056989020004375","","","0.71073","MoKα","","0.0963","0.0484","","","0.1009","0.1193","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","250121","2020-10-21","18:00:00",""
"2243337","10.0704","0.0002","16.2514","0.0004","16.1749","0.0004","90","","99.13","0.002","90","","2613.62","0.11","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","({[(2,2-Bis{[(2-oxidobenzylidene)amino-κ^2^<i>N</i>,<i>O</i>]methyl}propyl)imino]methyl}phenololato-κ^2^<i>N</i>,<i>O</i>)indium(III) dichloromethane monosolvate","","- C27 H26 Cl2 In N3 O3 -","- C27 H26 Cl2 In N3 O3 -","- C108 H104 Cl8 In4 N12 O12 -","4","1","EX2030","Ventura, Dominic L.; Brennessel, William W.; Durfee, William S.","Crystal structures of {1,1,1-tris[(salicylaldimino)methyl]ethane}gallium as both a pyridine solvate and an acetonitrile 0.75-solvate and {1,1,1-tris[(salicylaldimino)methyl]ethane}indium dichloromethane solvate","Acta Crystallographica Section E","2020","76","5","615","620","10.1107/S2056989020004375","","x-ray","0.71073","MoKα","","0.037","0.0294","","","0.0611","0.0635","","","","","","1.061","","","","has coordinates,has Fobs","250121","2020-10-21","18:00:00",""
"2243338","12.7245","0.0007","9.5887","0.0006","23.7276","0.0014","90","","90","","90","","2895","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2,3-Dihydro-1<i>H</i>-perimidin-2-yl)-6-methoxyphenol","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C144 H128 N16 O16 -","8","1","LH5952","Daouda, Ballo; Tuo, Nanou Tiéba; Hökelek, Tuncer; Niameke Jean-Baptiste, Kangah; Charles Guillaume, Kodjo; Claude, Kablan Ahmont Landry; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 2-(2,3-dihydro-1<i>H</i>-perimidin-2-yl)-6-methoxyphenol","Acta Crystallographica Section E","2020","76","5","605","610","10.1107/S2056989020004284","","x-ray","0.71073","MoKα","","0.0631","0.0449","","","0.1105","0.1182","","","","","","1.039","","","","has coordinates,has Fobs","250122","2020-10-21","18:00:00",""
"2243339","26.6519","0.0004","8.307","0.0002","9.7852","0.0002","90","","100.241","0.002","90","","2131.9","0.08","100","0.1","100","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","(η^4^-Cycloocta-1,5-diene)bis(1,3-dimethylimidazol-2-ylidene)iridium(I) iodide","","- C18 H28 I Ir N4 -","- C18 H28 I Ir N4 -","- C72 H112 I4 Ir4 N16 -","4","0.5","","Bernier, Chad M.; DuChane, Christine M.; Merola, Joseph S.","Crystal structures of (η^4^-cycloocta-1,5-diene)bis(1,3-dimethylimidazol-2-ylidene)iridium(I) iodide and (η^4^-cycloocta-1,5-diene)bis(1,3-diethylimidazol-2-ylidene)iridium(I) iodide","Acta Crystallographica Section E","2020","76","5","611","614","10.1107/S2056989020004235","","x-ray","0.71073","MoKα","","0.0282","0.0243","","","0.0574","0.0585","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","250123","2020-10-21","18:00:00",""
"2243340","10.6041","0.0002","12.3058","0.0002","18.2513","0.0003","90","","90","","90","","2381.65","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","(η^4^-Cycloocta-1,5-diene)bis(1,3-diethylimidazol-2-ylidene)iridium(I) iodide","","- C22 H36 I Ir N4 -","- C22 H36 I Ir N4 -","- C88 H144 I4 Ir4 N16 -","4","0.5","","Bernier, Chad M.; DuChane, Christine M.; Merola, Joseph S.","Crystal structures of (η^4^-cycloocta-1,5-diene)bis(1,3-dimethylimidazol-2-ylidene)iridium(I) iodide and (η^4^-cycloocta-1,5-diene)bis(1,3-diethylimidazol-2-ylidene)iridium(I) iodide","Acta Crystallographica Section E","2020","76","5","611","614","10.1107/S2056989020004235","","x-ray","0.71073","MoKα","","0.0679","0.0296","","","0.0519","0.0604","","","","","","1","","","","has coordinates,has Fobs","250123","2020-10-21","18:00:00",""
"2243341","24.292","0.0018","4.8348","0.0004","24.8761","0.0016","90","","116.272","0.002","90","","2619.8","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetraiodoethylene‒phenanthridine (1/2)","","- C14 H9 I2 N -","- C14 H9 I2 N -","- C112 H72 I16 N8 -","8","1","VM2225","Cui, Yu-Jin; Su, Feng; Jin, Wei-Jun","Structural and luminescent properties of co-crystals of tetraiodoethylene with two azaphenanthrenes","Acta Crystallographica Section E","2020","76","3","438","442","10.1107/S2056989020002182","","","0.71073","MoKα","","0.0829","0.0429","","","0.0665","0.078","","","","","","1.031","","","","has coordinates,has Fobs","250390","2020-10-21","18:00:00",""
"2243342","7.3179","0.0004","8.1089","0.0005","11.3252","0.0007","97.05","0.002","92.059","0.002","95.579","0.002","663.02","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Tetraiodoethylene‒benzo[<i>f</i>]quinoline (1/2)","","- C14 H9 I2 N -","- C14 H9 I2 N -","- C28 H18 I4 N2 -","2","1","","Cui, Yu-Jin; Su, Feng; Jin, Wei-Jun","Structural and luminescent properties of co-crystals of tetraiodoethylene with two azaphenanthrenes","Acta Crystallographica Section E","2020","76","3","438","442","10.1107/S2056989020002182","","","0.71073","MoKα","","0.0441","0.0276","","","0.0523","0.0578","","","","","","1.082","","","","has coordinates,has Fobs","250390","2020-10-21","18:00:00",""
"2243343","8.9995","0.0005","16.7778","0.0011","12.3595","0.0008","90","","98.892","0.006","90","","1843.8","0.2","298","2","298","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Ethyl 3-(4-chlorophenyl)-1,6-dimethyl-4-methylsulfanyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate","","- C18 H18 Cl N3 O2 S -","- C18 H18 Cl N3 O2 S -","- C72 H72 Cl4 N12 O8 S4 -","4","1","LH5946","Rao, H. Surya Prakash; Gunasundari, Ramalingam; Muthukumaran, Jayaraman","Crystal structure analysis of ethyl 3-(4-chlorophenyl)-1,6-dimethyl-4-methylsulfanyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate","Acta Crystallographica Section E","2020","76","3","443","445","10.1107/S2056989020002479","","","0.71073","MoKα","","0.0674","0.0487","","","0.1459","0.1614","","","","","","1.104","","","","has coordinates,has Fobs","250391","2020-10-21","18:00:00",""
"2243344","10.55","0.0008","9.3679","0.0006","16.5606","0.0015","90","","93.886","0.007","90","","1632.9","0.2","296","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(5-Benzyl-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetic acid","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","WM5541","Daoui, Said; Baydere, Cemile; Chelfi, Tarik; El Kalai, Fouad; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine","Polymorphism of 2-(5-benzyl-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetic acid with two monoclinic modifications: crystal structures and Hirshfeld surface analyses","Acta Crystallographica Section E","2020","76","3","432","437","10.1107/S2056989020002406","","","0.71073","MoKα","","0.1367","0.0534","","","0.1294","0.1575","","","","","","0.894","","","","has coordinates,has Fobs","250392","2020-10-21","18:00:00",""
"2243345","10.5976","0.0006","15.55","0.0007","10.3731","0.0007","90","","109.12","0.005","90","","1615.11","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","WM5541","Daoui, Said; Baydere, Cemile; Chelfi, Tarik; El Kalai, Fouad; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine","Polymorphism of 2-(5-benzyl-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetic acid with two monoclinic modifications: crystal structures and Hirshfeld surface analyses","Acta Crystallographica Section E","2020","76","3","432","437","10.1107/S2056989020002406","","","0.71073","MoKα","","0.095","0.0487","","","0.1175","0.1314","","","","","","0.975","","","","has coordinates,has Fobs","250392","2020-10-21","18:00:00",""
"2243346","13.033","0.005","12.877","0.01","9.028","0.003","90","","101.31","0.03","90","","1485.7","1.4","173.05","0.1","173.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^)nickel(II)]-μ-1,3-bis(3-carboxylatopropyl)tetramethyldisiloxane-κ^2^<i>O</i>:<i>O</i>']","","- C22 H48 N4 Ni O5 Si2 -","- C22 H48 N4 Ni O5 Si2 -","- C44 H96 N8 Ni2 O10 Si4 -","2","0.5","HB7892","Gavrish, Sergey P.; Shova, Sergiu; Cazacu, Maria; Dascalu, Mihaela; Lampeka, Yaroslaw D.","Syntheses and crystal structures of the one-dimensional coordination polymers formed by [Ni(cyclam)]^2+^ cations and 1,3-bis(3-carboxypropyl)tetramethyldisiloxane anions in different degrees of deprotonation","Acta Crystallographica Section E","2020","76","3","446","451","10.1107/S2056989020002327","","","0.71073","MoKα","","0.1114","0.0653","","","0.1328","0.1433","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","250393","2020-10-21","18:00:00",""
"2243347","9.3815","0.0007","12.9009","0.0008","14.7604","0.001","99.309","0.005","100.343","0.006","99.232","0.006","1700.9","0.2","200","0.1","200","0.1","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-Poly[[[(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^)nickel(II)]-μ-4-({[(3-carboxypropyl)dimethylsilyl]oxy}dimethylsilyl)butanoato-κ^2^<i>O</i>:<i>O</i>'] perchlorate]","","- C22 H49 Cl N4 Ni O9 Si2 -","- C22 H49 Cl N4 Ni O9 Si2 -","- C44 H98 Cl2 N8 Ni2 O18 Si4 -","2","1","HB7892","Gavrish, Sergey P.; Shova, Sergiu; Cazacu, Maria; Dascalu, Mihaela; Lampeka, Yaroslaw D.","Syntheses and crystal structures of the one-dimensional coordination polymers formed by [Ni(cyclam)]^2+^ cations and 1,3-bis(3-carboxypropyl)tetramethyldisiloxane anions in different degrees of deprotonation","Acta Crystallographica Section E","2020","76","3","446","451","10.1107/S2056989020002327","","x-ray","0.71073","MoKα","","0.0852","0.0498","","","0.1096","0.1149","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","250393","2020-10-21","18:00:00",""
"2243348","16.488","0.0005","17.0003","0.0005","17.0288","0.0005","91.9252","0.0012","97.8137","0.0012","117.349","0.0011","4175.2","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","Tris[9,9-dihexyl-2-(5-methoxypyridin-2-yl-κ<i>N</i>)-9<i>H</i>-fluoren-3-yl-κ<i>C</i>^3^]iridium pentane monosolvate","","- C98 H126 Ir N3 O3 -","- C98 H126 Ir N3 O3 -","- C196 H252 Ir2 N6 O6 -","2","1","HB7885","M'hamedi, Ahmed; Batsanov, Andrei S.","Phosphorescent mono- and diiridium(III) complexes cyclometalated by fluorenyl- or phenyl-pyridino ligands with bulky substituents, as prospective OLED dopants","Acta Crystallographica Section E","2020","76","3","392","399","10.1107/S2056989020001784","","x-ray","0.71073","MoKα","","0.074","0.0417","","","0.0688","0.0759","","","","","","0.911","","","","has coordinates,has disorder,has Fobs","250394","2020-10-21","18:00:00",""
"2243349","12.2744","0.0007","17.6132","0.001","25.3966","0.0015","105.119","0.002","93.787","0.002","90.779","0.002","5286.2","0.5","120","","120","","","","","","","","","6","P -1","-P 1","2","","Di-μ~2~-chlorido-bis{bis[2-(5-fluoropyridin-2-yl)-9,9-dihexyl-9<i>H</i>-fluoren-3-yl]iridium} pentane 0.3-solvate","","- C121.5 H143.6 Cl2 F4 Ir2 N4 -","- C121.5 H143.6 Cl2 F4 Ir2 N4 -","- C243 H287.2 Cl4 F8 Ir4 N8 -","2","1","HB7885","M'hamedi, Ahmed; Batsanov, Andrei S.","Phosphorescent mono- and diiridium(III) complexes cyclometalated by fluorenyl- or phenyl-pyridino ligands with bulky substituents, as prospective OLED dopants","Acta Crystallographica Section E","2020","76","3","392","399","10.1107/S2056989020001784","","x-ray","0.71073","MoKα","","0.0807","0.0409","","","0.0896","0.1029","","","","","","0.949","","","","has coordinates,has disorder,has Fobs","250394","2020-10-21","18:00:00",""
"2243350","38.976","0.006","21.615","0.003","28.759","0.004","90","","108.92","0.003","90","","22919","6","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ~2~-cyanato-bis{bis[9,9-dihexyl-2-(5-methoxypyridin-2-yl)-9<i>H</i>-fluoren-1-yl]iridium} pentane monosolvate","","- C131 H164 Ir2 N6 O6 -","- C126 H152 Ir2 N6 O6 -","- C1008 H1216 Ir16 N48 O48 -","8","2","HB7885","M'hamedi, Ahmed; Batsanov, Andrei S.","Phosphorescent mono- and diiridium(III) complexes cyclometalated by fluorenyl- or phenyl-pyridino ligands with bulky substituents, as prospective OLED dopants","Acta Crystallographica Section E","2020","76","3","392","399","10.1107/S2056989020001784","","x-ray","0.71073","MoKα","","0.1809","0.0771","","","0.1468","0.1845","","","","","","0.966","","","","has coordinates,has disorder,has Fobs","250394","2020-10-21","18:00:00",""
"2243351","11.8734","0.0005","14.2267","0.0006","16.6076","0.0007","110.386","0.002","106.524","0.002","96.303","0.002","2452","0.19","120","","120","","","","","","","","","7","P -1","-P 1","2","","{μ-<i>N</i>,<i>N</i>'-Bis[3,5-bis(trifluoromethyl)phenyl]oxamidato}bis(bis{2-[4-(2,4,6-trimethylphenyl)pyridin-2-yl]phenyl-κ^2^<i>C</i>^1^,<i>N</i>'}iridium)‒chlorobenzene‒pentane (1/2.3/0.4)","","- C113.8 H94.3 Cl2.3 F12 Ir2 N6 O2 -","- C113.8 H91.2 Cl2.3 F12 Ir2 N6 O2 -","- C113.8 H91.2 Cl2.3 F12 Ir2 N6 O2 -","1","0.5","HB7885","M'hamedi, Ahmed; Batsanov, Andrei S.","Phosphorescent mono- and diiridium(III) complexes cyclometalated by fluorenyl- or phenyl-pyridino ligands with bulky substituents, as prospective OLED dopants","Acta Crystallographica Section E","2020","76","3","392","399","10.1107/S2056989020001784","","x-ray","0.71073","MoKα","","0.0371","0.0283","","","0.0698","0.073","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","250394","2020-10-21","18:00:00",""
"2243352","11.6882","0.0002","9.0903","0.0002","16.9533","0.0003","90","","105.105","0.001","90","","1739.04","0.06","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-[(2<i>Z</i>)-2-(2-chlorobenzylidene)-3-oxo-3,4-dihydro-2<i>H</i>-\ 1,4-benzothiazin-4-yl]acetate","","- C19 H16 Cl N O3 S -","- C19 H16 Cl N O3 S -","- C76 H64 Cl4 N4 O12 S4 -","4","1","LH5950","Sebbar, Ghizlane; Mohamed, Ellouz; Hökelek, Tuncer; Mague, Joel T.; Sebbar, Nada Kheira; Essassi, El Mokhtar; Belkadi, Bouchra","Crystal structure, Hirshfeld surface analysis and interaction energy, DFT and antibacterial activity studies of ethyl 2-[(2<i>Z</i>)-2-(2-chlorobenzylidene)-3-oxo-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-4-yl]acetate","Acta Crystallographica Section E","2020","76","5","629","636","10.1107/S2056989020004119","","","1.54178","CuKα","","0.048","0.0394","","","0.0953","0.1014","","","","","","1.025","","","","has coordinates,has Fobs","250492","2020-10-21","18:00:00",""
"2243353","17.6928","0.0007","13.2512","0.0005","8.5916","0.0003","90","","90.184","0.002","90","","2014.3","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Hexyl 1-hexyl-2-oxo-1,2-dihydroquinoline-4-carboxylate","","- C22 H31 N O3 -","- C22 H31 N O3 -","- C88 H124 N4 O12 -","4","1","WM5550","Bouzian, Younos; Kansiz, Sevgi; Mahi, Lhassane; Ahabchane, Noureddine Hamou; Mague, Joel T.; Dege, Necmi; Karrouchi, Khalid; Essassi, El Mokhtar","Crystal structure and Hirshfeld surface analysis of hexyl 1-hexyl-2-oxo-1,2-dihydroquinoline-4-carboxylate","Acta Crystallographica Section E","2020","76","5","642","645","10.1107/S2056989020004521","","","1.54178","CuKα","","0.0645","0.0464","","","0.095","0.1046","","","","","","1.068","","","","has coordinates,has Fobs","250662","2020-10-21","18:00:00",""
"2243354","11.4982","0.0007","5.0086","0.0003","26.724","0.0016","90","","97.683","0.002","90","","1525.22","0.16","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(2<i>H</i>-1,3-Benzodioxol-5-yl)-<i>N</i>-cyclohexylpenta-2,4-dienamide","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","HB7897","Ezawa, Toshinari; Inoue, Yutaka; Murata, Isamu; Suzuki, Mitsuaki; Takao, Koichi; Sugita, Yoshiaki; Kanamoto, Ikuo","Syntheses and crystal structures of two piperine derivatives","Acta Crystallographica Section E","2020","76","5","646","650","10.1107/S2056989020004648","","","0.71073","MoKα","","0.0578","0.0488","","","0.1158","0.1211","","","","","","1.067","","","","has coordinates,has Fobs","250663","2020-10-21","18:00:00",""
"2243355","11.8747","0.001","7.2485","0.0006","30.392","0.002","90","","90","","90","","2616","0.4","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-(2<i>H</i>-1,3-Benzodioxol-5-yl)-1-(pyrrolidin-1-yl)penta-2,4-dien-1-one","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C128 H136 N8 O24 -","8","1","HB7897","Ezawa, Toshinari; Inoue, Yutaka; Murata, Isamu; Suzuki, Mitsuaki; Takao, Koichi; Sugita, Yoshiaki; Kanamoto, Ikuo","Syntheses and crystal structures of two piperine derivatives","Acta Crystallographica Section E","2020","76","5","646","650","10.1107/S2056989020004648","","","0.71073","MoKα","","0.109","0.0502","","","0.1088","0.1433","","","","","","1.046","","","","has coordinates,has Fobs","250663","2020-10-21","18:00:00",""
"2243356","5.4945","0.0003","25.0707","0.0013","12.9811","0.0009","90","","93.497","0.006","90","","1784.83","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Butyl-2,6-bis(4-fluorophenyl)piperidin-4-one","","- C21 H23 F2 N O -","- C21 H23 F2 N O -","- C84 H92 F8 N4 O4 -","4","1","HB7882","Anitha, K.; Sivakumar, S.; Arulraj, R.; Rajkumar, K.; Kaur, Manpreet; Jasinski, Jerry P.","Synthesis, crystal structure, DFT calculations and Hirshfeld surface analysis of 3-butyl-2,6-bis(4-fluorophenyl)piperidin-4-one","Acta Crystallographica Section E","2020","76","5","651","655","10.1107/S2056989020004636","","","1.54184","CuKα","","0.0494","0.0448","","","0.1207","0.1264","","","","","","1.043","","","","has coordinates,has Fobs","250664","2020-10-21","18:00:00",""
"2243357","12.9328","0.0005","11.2551","0.0004","9.8092","0.0003","90","","106.245","0.004","90","","1370.82","0.09","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[4-(Dimethylamino)benzylidene]furan-2-carbohydrazide monohydrate","","- C14 H17 N3 O3 -","- C14 H17 N3 O3 -","- C56 H68 N12 O12 -","4","1","FY2143","Sylla-Gueye, Rokhaya; Thiam, Ibrahima Elhadji; Orton, James; Coles, Simon; Gaye, Mohamed","Crystal structure of <i>N</i>'-[4-(dimethylamino)benzylidene]furan-2-carbohydrazide monohydrate","Acta Crystallographica Section E","2020","76","5","660","663","10.1107/S205698902000465X","","x-ray","0.71075","MoKα","","0.0553","0.0475","","","0.131","0.136","","","","","","1.057","","","","has coordinates,has Fobs","250665","2020-10-21","18:00:00",""
"2243358","11.8865","0.0006","5.1298","0.0003","28.2942","0.0014","90","","93.667","0.004","90","","1721.72","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate","","- C18 H16 N2 O3 S -","- C18 H16 N2 O3 S -","- C72 H64 N8 O12 S4 -","4","1","DJ2002","Nguyen Tien, Cong; Nguyen Tan, Quang; Pham Duc, Dung; Tran Hoang, Phuong; Nguyen Dang, Dat; Truong Minh, Luong; Van Meervelt, Luc","Synthesis and structure of ethyl 2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate","Acta Crystallographica Section E","2020","76","5","668","672","10.1107/S2056989020005071","","x-ray","0.71073","MoKα","","0.053","0.043","","","0.1032","0.1105","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","250921","2020-10-21","18:00:00",""
"2243359","6.3291","0.0011","9.8911","0.0017","21.133","0.004","76.48","0.002","84.965","0.003","73.891","0.002","1235.4","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","6-Bromo-3-(12-bromododecyl)-2-(4-nitrophenyl)-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C24 H30 Br2 N4 O2 -","- C24 H30 Br2 N4 O2 -","- C48 H60 Br4 N8 O4 -","2","1","WM5551","Jabri, Zainab; Jarmoni, Karim; Hökelek, Tuncer; Mague, Joel T.; Sabir, Safia; Kandri Rodi, Youssef; Misbahi, Khalid","Crystal structure, Hirshfeld surface analysis and DFT studies of 6-bromo-3-(12-bromododecyl)-2-(4-nitrophenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","Acta Crystallographica Section E","2020","76","5","677","682","10.1107/S2056989020005228","","","0.71073","MoKα","","0.0481","0.0354","","","0.0904","0.0953","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","251006","2020-10-21","18:00:00",""
"2243360","7.9782","0.0004","8.1711","0.0005","12.6661","0.0007","92.214","0.002","93.423","0.001","114.274","0.001","749.55","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-[(2,4,6-Trimethylbenzene)sulfonyl]phthalazin-1(2<i>H</i>)-one","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C34 H32 N4 O6 S2 -","2","1","LH5956","Izuogu, David Chukwuma; Asegbeloyin, Jonnie Niyi; Jotani, Mukesh M.; Tiekink, Edward R. T.","2-[(2,4,6-Trimethylbenzene)sulfonyl]phthalazin-1(2<i>H</i>)-one: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2020","76","5","697","702","10.1107/S2056989020005101","","","0.71073","MoKα","","0.0706","0.0479","","","0.1113","0.1224","","","","","","1.021","","","","has coordinates,has Fobs","251007","2020-10-21","18:00:00",""
"2243361","17.854","0.0011","11.5361","0.0006","18.5366","0.0012","90","","90","","90","","3817.9","0.4","100","0.2","100","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>N</i>-[(<i>Z</i>)-2-(2<i>H</i>-1,3,2-Benzodioxaborol-2-yl)-2-phenylethenyl]-<i>N</i>-(propan-2-yl)aniline","","- C23 H22 B N O2 -","- C23 H22 B N O2 -","- C184 H176 B8 N8 O16 -","8","2","LH5953","Gubler, Joël; Chen, Peter","Structure of a push‒pull olefin prepared by ynamine hydroboration with a borandiol ester","Acta Crystallographica Section E","2020","76","5","710","714","10.1107/S2056989020005289","","x-ray","0.71073","MoKα","","0.0536","0.0386","","","0.0798","0.0862","","","","","","1.027","","","","has coordinates,has Fobs","251008","2020-10-21","18:00:00",""
"2243362","10.9545","0.0005","11.8785","0.0005","18.8415","0.0008","105.266","0.001","97.446","0.001","106.12","0.001","2217.2","0.17","87","2","87","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis[μ~3~-2-(4,4-dimethyl-2-oxazolin-2-yl)anilinido][μ~2~-2-(4,4-dimethyl-2-oxazolin-2-yl)aniline]tetrasodium(I)]","","- C44 H52 N8 Na4 O4 -","- C44 H52 N8 Na4 O4 -","- C88 H104 N16 Na8 O8 -","2","1","ZL2777","Gajecki, Leah; Twamley, Brendan; Berg, David J.","Synthesis and crystal structures of tetrameric [2-(4,4-dimethyl-2-oxazolin-2-yl)anilido]sodium and tris[2-(4,4-dimethyl-2-oxazolin-2-yl)anilido]ytterbium(III)","Acta Crystallographica Section E","2020","76","5","703","709","10.1107/S2056989020005034","","x-ray","0.71073","MoKα","","0.097","0.0659","","","0.1443","0.1577","","","","","","1.05","","","","has coordinates,has Fobs","251009","2020-10-21","18:00:00",""
"2243363","10.9428","0.0005","9.8253","0.0005","28.6089","0.0014","90","","94.722","0.001","90","","3065.5","0.3","86","2","86","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris[2-(4,4-dimethyl-2-oxazolin-2-yl)anilinido]ytterbium(III)","","- C33 H39 N6 O3 Yb -","- C33 H39 N6 O3 Yb -","- C132 H156 N24 O12 Yb4 -","4","1","ZL2777","Gajecki, Leah; Twamley, Brendan; Berg, David J.","Synthesis and crystal structures of tetrameric [2-(4,4-dimethyl-2-oxazolin-2-yl)anilido]sodium and tris[2-(4,4-dimethyl-2-oxazolin-2-yl)anilido]ytterbium(III)","Acta Crystallographica Section E","2020","76","5","703","709","10.1107/S2056989020005034","","","0.71073","MoKα","","0.0435","0.032","","","0.0687","0.073","","","","","","1.07","","","","has coordinates,has Fobs","251009","2020-10-21","18:00:00",""
"2243364","9.909","0.007","10.193","0.006","12.024","0.008","90.94","0.02","106.27","0.02","92.75","0.02","1163.9","1.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","3-[5-(2-Chlorophenoxy)-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl]-1-[4-(prop-2-yn-1-yloxy)phenyl]prop-2-en-1-one","","- C28 H21 Cl N2 O3 -","- C28 H21 Cl N2 O3 -","- C56 H42 Cl2 N4 O6 -","2","1","MW2158","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Functionalized 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples","Acta Crystallographica Section E","2020","76","5","683","691","10.1107/S2056989020005113","","","0.71073","MoKα","","0.0851","0.0576","","","0.1283","0.1554","","","","","","1.097","","","","has coordinates,has Fobs","251010","2020-10-21","18:00:00",""
"2243365","8.9959","0.0014","9.738","0.0015","13.637","0.002","95.901","0.004","94.122","0.004","95.959","0.004","1177.8","0.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","3-[5-(4-Chlorophenoxy)-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl]-1-[4-(prop-2-yn-1-yloxy)phenyl]prop-2-en-1-one","","- C28 H21 Cl N2 O3 -","- C28 H21 Cl N2 O3 -","- C56 H42 Cl2 N4 O6 -","2","1","MW2158","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Functionalized 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples","Acta Crystallographica Section E","2020","76","5","683","691","10.1107/S2056989020005113","","","0.71073","MoKα","","0.064","0.0481","","","0.1096","0.1249","","","","","","1.15","","","","has coordinates,has Fobs","251010","2020-10-21","18:00:00",""
"2243366","8.8615","0.0006","10.4973","0.0007","13.6588","0.001","79.006","0.003","89.412","0.003","80.971","0.003","1231.54","0.15","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","3-[3-Methyl-5-(naphthalen-2-yloxy)-1-phenyl-1<i>H</i>-pyrazol-4-yl]-1-[4-(prop-2-ynyloxy)phenyl]prop-2-en-1-one","","- C32 H24 N2 O3 -","- C32 H24 N2 O3 -","- C64 H48 N4 O6 -","2","1","MW2158","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Functionalized 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples","Acta Crystallographica Section E","2020","76","5","683","691","10.1107/S2056989020005113","","","0.71073","MoKα","","0.0893","0.0698","","","0.1675","0.1874","","","","","","1.066","","","","has coordinates,has Fobs","251010","2020-10-21","18:00:00",""
"2243367","9.8432","0.0006","11.7441","0.0007","12.3005","0.0007","114.12","0.002","111.139","0.002","96.537","0.002","1152.06","0.12","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","1-(4-Azidophenyl)-3-[3-methyl-5-(2-methylphenoxy)-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-en-1-one","","- C26 H21 N5 O2 -","- C26 H21 N5 O2 -","- C52 H42 N10 O4 -","2","1","MW2158","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Functionalized 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples","Acta Crystallographica Section E","2020","76","5","683","691","10.1107/S2056989020005113","","","0.71073","MoKα","","0.0766","0.0497","","","0.1191","0.1475","","","","","","1.102","","","","has coordinates,has Fobs","251010","2020-10-21","18:00:00",""
"2243368","28.1916","0.0017","8.0537","0.0005","22.0446","0.0012","90","","109.07","0.001","90","","4730.5","0.5","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(4-Azidophenyl)-3-[5-(2,4-dichlorophenoxy)-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-en-1-one","","- C25 H17 Cl2 N5 O2 -","- C25 H17 Cl2 N5 O2 -","- C200 H136 Cl16 N40 O16 -","8","1","MW2158","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Functionalized 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples","Acta Crystallographica Section E","2020","76","5","683","691","10.1107/S2056989020005113","","","0.71073","MoKα","","0.1132","0.0861","","","0.1458","0.1552","","","","","","1.358","","","","has coordinates,has disorder,has Fobs","251010","2020-10-21","18:00:00",""
"2243369","9.846","0.0008","22.4303","0.0018","11.049","0.0009","90","","104.157","0.002","90","","2366","0.3","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-Azidophenyl)-3-[3-methyl-5-(naphthalen-2-yloxy)-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-en-1-on","","- C29 H21 N5 O2 -","- C29 H21 N5 O2 -","- C116 H84 N20 O8 -","4","1","MW2158","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Asma; Manju, Nagaraja; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Functionalized 3-(5-aryloxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones: synthetic pathway, and the structures of six examples","Acta Crystallographica Section E","2020","76","5","683","691","10.1107/S2056989020005113","","","0.71073","MoKα","","0.1418","0.0632","","","0.1167","0.1539","","","","","","1.058","","","","has coordinates,has Fobs","251010","2020-10-21","18:00:00",""
"2243370","10.2365","0.0004","9.7989","0.0004","19.3759","0.0008","90","","103.333","0.002","90","","1891.14","0.13","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","6-Benzoyl-3,5-diphenylcyclohex-2-en-1-one","","- C25 H20 O2 -","- C25 H20 O2 -","- C100 H80 O8 -","4","1","IS5536","Naghiyev, Farid N.; Akkurt, Mehmet; Askerov, Rizvan K.; Mamedov, Ibrahim G.; Rzayev, Rovnag M.; Chyrka, Taras; Maharramov, Abel M.","Crystal structure and Hirshfeld surface analysis of 6-benzoyl-3,5-diphenylcyclohex-2-en-1-one","Acta Crystallographica Section E","2020","76","5","720","723","10.1107/S2056989020005381","","","0.71073","MoKα","","0.1095","0.0591","","","0.13","0.1488","","","","","","1.005","","","","has coordinates,has Fobs","251011","2020-10-21","18:00:00",""
"2243371","10.6878","0.0009","8.9088","0.0007","21.9503","0.0019","90","","99.049","0.003","90","","2064","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-{[(Anthracen-9-yl)methyl]amino}benzoic acid dimethylformamide monosolvate#","","- C25 H24 N2 O3 -","- C25 H24 N2 O3 -","- C100 H96 N8 O12 -","4","1","WM5548","Ahmed, Adeeba; Ahmad, Aiman; Ahmad, Musheer; Kalibabchuk, Valentina A.","Crystal structure and Hirshfeld surface analysis of 4-{[(anthracen-9-yl)methyl]amino}benzoic acid dimethylformamide monosolvate","Acta Crystallographica Section E","2020","76","5","728","731","10.1107/S2056989020005393","","","0.71073","MoKα","","0.0936","0.0571","","","0.1422","0.1835","","","","","","1.1201","","","","has coordinates,has Fobs","251176","2020-10-21","18:00:00",""
"2243372","25.5453","0.0007","13.4125","0.0004","11.8879","0.0004","90","","91.644","0.003","90","","4071.4","0.2","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dipyridinium 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)dibenzoate 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)dibenzoic acid","","- C22 H15 F6 N O4 -","- C44 H30 F12 N2 O8 -","- C176 H120 F48 N8 O32 -","4","1","LH5959","Sugiyama, Haruki","Hydrogen-bonding patterns in 2,2-bis(4-methylphenyl)hexafluoropropane pyridinium and ethylenediammonium salt crystals","Acta Crystallographica Section E","2020","76","5","742","746","10.1107/S2056989020005575","","x-ray","1.54184","CuKα","","0.0375","0.0334","","","0.0842","0.0868","","","","","","1.032","","","","has coordinates,has Fobs","251177","2020-10-21","18:00:00",""
"2243373","13.2518","0.0003","12.1773","0.0003","25.8419","0.0006","90","","90","","90","","4170.14","0.17","93","","93","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethane-1,2-diaminium 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)dibenzoate monohydrate","","- C19 H20 F6 N2 O5 -","- C19 H20 F6 N2 O5 -","- C152 H160 F48 N16 O40 -","8","1","LH5959","Sugiyama, Haruki","Hydrogen-bonding patterns in 2,2-bis(4-methylphenyl)hexafluoropropane pyridinium and ethylenediammonium salt crystals","Acta Crystallographica Section E","2020","76","5","742","746","10.1107/S2056989020005575","","x-ray","1.54184","CuKα","","0.0351","0.0315","","","0.0796","0.0819","","","","","","1.043","","","","has coordinates,has Fobs","251177","2020-10-21","18:00:00",""
"2243374","9.4693","0.0004","8.7384","0.0003","24.5049","0.0009","90","","91.792","0.001","90","","2026.7","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Phenyl-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazol-3-ium benzoate","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C112 H80 N8 O8 -","4","1","MW2157","Ahmed, Ruby; Doğan, Onur Erman; Ali, Farman; Ahmad, Musheer; Ahmed, Adeeba; Dege, Necmi; Golenia, Irina A.","Crystal structure and Hirshfeld surface analysis of 2-phenyl-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazol-3-ium benzoate","Acta Crystallographica Section E","2020","76","5","724","727","10.1107/S2056989020005344","","","0.71073","MoKα","","0.054","0.0413","","","0.0936","0.1041","","","","","","1.098","","","","has coordinates,has Fobs","251178","2020-10-21","18:00:00",""
"2243375","15.6783","0.001","15.788","0.0014","8.7054","0.0005","90","","91.217","0.005","90","","2154.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[3-(trifluoromethyl)benzyl]iminomethyl}phenol","","- C23 H28 F3 N O -","- C23 H28 F3 N O -","- C92 H112 F12 N4 O4 -","4","1","","Kan Kaynar, Nihal; Tanak, Hasan; Macit, Mustafa; Özdemir, Namık","Crystal structure and DFT computational studies of (<i>E</i>)-2,4-di-<i>tert</i>-butyl-6-{[3-(trifluoromethyl)benzyl]iminomethyl}phenol","Acta Crystallographica Section E","2020","76","5","732","735","10.1107/S205698902000537X","","","0.71073","MoKα","","0.114","0.0593","","","0.1279","0.1488","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","251179","2020-10-21","18:00:00",""
"2243376","9.0954","0.0007","13.4319","0.0009","14.7905","0.001","97.074","0.003","94.68","0.003","107.354","0.003","1698.1","0.2","113","2","113","","","","","","","","","7","P -1","-P 1","2","","Bis(1,2-diphenyl-2-sulfanylideneethanethiolato-κ^2^<i>S</i>,<i>S</i>')(1,3,5-triaza-7-phosphaadamantane-κ<i>P</i>)cobalt(II) dichloromethane hemisolvate","","- C35 H34 Cl Co N3 P S4 -","- C35 H34 Cl Co N3 P S4 -","- C70 H68 Cl2 Co2 N6 P2 S8 -","2","1","ZL2776","Williams, DaShawn; Brannon, Jacob P.; Chandrasekaran, Perumalreddy; Stieber, S. Chantal E.","A five-coordinate cobalt bis(dithiolene)‒phosphine complex [Co(pdt)~2~(PTA)] (pdt = phenyldithiolene; PTA = 1,3,5-triaza-7-phosphaadamantane)","Acta Crystallographica Section E","2020","76","5","736","741","10.1107/S2056989020005447","","","0.71073","MoKα","","0.0356","0.0305","","","0.0783","0.0825","","","","","","1.056","","","","has coordinates,has Fobs","251180","2020-10-21","18:00:00",""
"2243377","19.0669","0.0009","14.2943","0.0006","19.345","0.0008","90","","95.1476","0.0018","90","","5251.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>cis</i>-Diaquatetrakis(dimethylformamide-κ<i>O</i>)manganese(II) tetrakis(μ~3~-<i>N</i>,2-dioxidobenzene-1-carboximidate)pentacopper(II) dimethylformamide monosolvate","","- C43 H55 Cu5 Mn N9 O19 -","- C43 H55 Cu5 Mn N9 O19 -","- C172 H220 Cu20 Mn4 N36 O76 -","4","1","YK2128","Van Trieste III, Gerard P.; Zeller, Matthias; Zaleski, Curtis M.","Synthesis and crystal structure of a pentacopper(II) 12-metallacrown-4: <i>cis</i>-diaquatetrakis(dimethylformamide-κ<i>O</i>)manganese(II) tetrakis(μ~3~-<i>N</i>,2-dioxidobenzene-1-carboximidate)pentacopper(II) dimethylformamide monosolvate","Acta Crystallographica Section E","2020","76","5","747","751","10.1107/S2056989020005770","","","0.71073","MoKα","","0.1115","0.0648","","","0.118","0.1434","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","251356","2020-10-21","18:00:00",""
"2243378","10.5673","0.0004","8.0182","0.0003","21.2318","0.001","90","","95.282","0.004","90","","1791.35","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(4-Chlorophenyl)-5-cyclopropyl-1-(4-methoxyphenyl)-1<i>H</i>-1,2,3-triazole-4-carboxamide","","- C19 H17 Cl N4 O2 -","- C19 H17 Cl N4 O2 -","- C76 H68 Cl4 N16 O8 -","4","1","HB7901","Pokhodylo, Nazariy; Slyvka, Yurii; Pavlyuk, Volodymyr","Synthesis, crystal structure and Hirshfeld surface analysis of <i>N</i>-(4-chlorophenyl)-5-cyclopropyl-1-(4-methoxyphenyl)-1<i>H</i>-1,2,3-triazole-4-carboxamide","Acta Crystallographica Section E","2020","76","5","756","760","10.1107/S2056989020005848","","","0.71073","MoKα","","0.1169","0.04","","","0.0493","0.0534","","","","","","1.053","","","","has coordinates,has Fobs","251357","2020-10-21","18:00:00",""
"2243379","4.9279","0.0001","10.635","0.0003","15.8788","0.0004","90","","90","","90","","832.18","0.04","100","2","99.98","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4a<i>R</i>,8a<i>R</i>)-6-Oxo-2,4a,6,8a-tetrahydropyrano[3,2-<i>b</i>]pyran-2-carboxamide","","- C9 H9 N O4 -","- C9 H9 N O4 -","- C36 H36 N4 O16 -","4","1","ZL4038","Greene, John; Kopplin, Noa; Roireau, Jack; Bezpalko, Mark; Kassel, Scott; Giuliano, Michael W.; Giuliano, Robert","Synthesis and crystal structure of (2<i>S</i>,4a<i>R</i>,8a<i>R</i>)-6-oxo-2,4a,6,8a-tetrahydropyrano[3,2-<i>b</i>]pyran-2-carboxamide","Acta Crystallographica Section E","2020","76","5","761","764","10.1107/S2056989020001292","","","0.71073","MoKα","","0.0334","0.0318","","","0.079","0.0801","","","","","","1.04","","","","has coordinates,has Fobs","251358","2020-10-21","18:00:00",""
"2243380","6.5915","0.0004","12.1969","0.001","15.5669","0.001","90","","97.617","0.008","90","","1240.47","0.15","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4,4'-(Propane-1,3-diyl)bis(4<i>H</i>-1,2,4-triazol-1-ium) pentafluoridooxidovanadate(V)","","- C7 H12 F5 N6 O V -","- C7 H12 F5 N6 O V -","- C28 H48 F20 N24 O4 V4 -","4","1","HB7908","Senchyk, Ganna A.; Lysenko, Andrey B.; Krautscheid, Harald; Domasevitch, Kostiantyn V.","Crystal structure and Hirshfeld surface analysis of 4,4'-(propane-1,3-diyl)bis(4<i>H</i>-1,2,4-triazol-1-ium) pentafluoridooxidovanadate(V)","Acta Crystallographica Section E","2020","76","6","780","784","10.1107/S205698902000585X","","","0.71073","MoKα","","0.0317","0.0279","","","0.0788","0.0799","","","","","","1.006","","","","has coordinates,has Fobs","251391","2020-10-21","18:00:00",""
"2243381","8.2807","0.0001","14.1554","0.0001","17.502","0.0002","90","","98.92","0.001","90","","2026.71","0.04","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>',<i>N</i>''-Tris(pyridin-2-yl)benzene-1,3,5-tricarboxamide","","- C24 H18 N6 O3 -","- C24 H18 N6 O3 -","- C96 H72 N24 O12 -","4","1","HB7909","Senior, Levi; Linden, Anthony","The missing crystal structure in the series of <i>N</i>,<i>N</i>',<i>N</i>''-tris(pyridin-2-yl)benzene-1,3,5-tricarboxamides: the 2-pyridinyl derivative","Acta Crystallographica Section E","2020","76","6","776","779","10.1107/S2056989020005599","","x-ray","1.54184","CuKα","","0.0328","0.0312","","","0.0868","0.0883","","","","","","1.048","","","","has coordinates,has Fobs","251392","2020-10-21","18:00:00",""
"2243382","7.7054","0.0005","7.724","0.0005","8.5606","0.0005","103.659","0.005","98.803","0.005","110.273","0.005","448.74","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-chlorido-bis{chlorido[methyl(pyridin-2-ylmethylidene)amine-κ^2^<i>N</i>,<i>N</i>']copper(II)}","","- C14 H16 Cl4 Cu2 N4 -","- C14 H16 Cl4 Cu2 N4 -","- C14 H16 Cl4 Cu2 N4 -","1","0.5","PK2625","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Melnyk, Andrii K.; Skelton, Brian W.","Crystal structure and characterization of a new copper(II) chloride dimer with methyl(pyridin-2-ylmethylidene)amine","Acta Crystallographica Section E","2020","76","6","790","793","10.1107/S2056989020005903","","","0.71073","MoKα","","0.0241","0.0207","","","0.0526","0.054","","","","","","1.076","","","","has coordinates,has Fobs","251806","2020-10-21","18:00:00",""
"2243383","9.071","0.0004","12.0526","0.0007","24.612","0.0011","90","","95.999","0.004","90","","2676.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2,3-Dihydro-1<i>H</i>-perimidin-2-yl)phenol","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C136 H112 N16 O8 -","8","2","LH5957","Daouda, Ballo; Tuo, Nanou Tiéba; Kangah, Niameke Jean-Baptiste; Hökelek, Tuncer; Kodjo, Charles Guillaume; Retailleau, Pascal; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and DFT studies of 2-(2,3-dihydro-1<i>H</i>-perimidin-2-yl)phenol","Acta Crystallographica Section E","2020","76","6","798","802","10.1107/S2056989020005939","","x-ray","0.71073","MoKα","","0.0718","0.0462","","","0.1099","0.1203","","","","","","1.033","","","","has coordinates,has Fobs","251807","2020-10-21","18:00:00",""
"2243384","11.3214","0.0009","6.7426","0.0006","14.9478","0.0012","90","","107.234","0.009","90","","1089.82","0.17","213","2","213","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","1,3-Diethynyladamantane","","","- C14 H16 -","- C14 H16 -","- C56 H64 -","4","1","LH5958","Domasevitch, Kostiantyn V.; Degtyarenko, Anna S.","Crystal structure and Hirshfeld surface analysis of 1,3-diethynyladamantane","Acta Crystallographica Section E","2020","76","6","807","810","10.1107/S2056989020005964","","","0.71073","MoKα","","0.0577","0.0441","","","0.1197","0.1243","","","","","","0.986","","","","has coordinates,has Fobs","251808","2020-10-21","18:00:00",""
"2243385","6.8817","0.001","28.249","0.004","8.1369","0.0013","90","","99.649","0.012","90","","1559.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2,5-Dimethoxyphenyl)-2,2,6,6-tetramethylpiperidine","","- C17 H27 N O2 -","- C17 H27 N O2 -","- C68 H108 N4 O8 -","4","1","","Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen","The crystal structure and Hirshfeld surface analysis of 1-(2,5-dimethoxyphenyl)-2,2,6,6-tetramethylpiperidine","Acta Crystallographica Section E","2020","76","6","794","797","10.1107/S2056989020005952","","","0.71073","MoKα","","0.076","0.0366","","","0.066","0.073","","","","","","0.827","","","","has coordinates,has Fobs","251809","2020-10-21","18:00:00",""
"2243386","6.073","0.0003","15.9782","0.0009","16.386","0.0007","90","","90","","90","","1590.03","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-{2,2-Dichloro-1-[(<i>E</i>)-(4-fluorophenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","","- C16 H14 Cl2 F N3 -","- C16 H14 Cl2 F N3 -","- C64 H56 Cl8 F4 N12 -","4","1","VM2232","Özkaraca, Kadriye; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Suleymanova, Gulnar T.; Shikhaliyeva, Irada M.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 4-{2,2-dichloro-1-[(<i>E</i>)-(4-fluorophenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","Acta Crystallographica Section E","2020","76","6","811","815","10.1107/S2056989020006106","","","0.71073","MoKα","","0.0473","0.034","","","0.0775","0.0844","","","","","","1.05","","","","has coordinates,has Fobs","251889","2020-10-21","18:00:00",""
"2243387","4.7274","0.0002","17.782","0.0005","10.734","0.0004","90","","98.994","0.004","90","","891.23","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","febuxostat ethanol monosolvate","2-[3-Cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid ethanol monosolvate","","- C18 H22 N2 O4 S -","- C18 H22 N2 O4 S -","- C36 H44 N4 O8 S2 -","2","1","FY2145","Gelbrich, Thomas; Kahlenberg, Volker; Adamer, Verena; Nerdinger, Sven; Griesser, Ulrich J.","Febuxostat ethanol monosolvate","Acta Crystallographica Section E","2020","76","6","816","819","10.1107/S2056989020006076","","x-ray","0.71073","MoKα","","0.0325","0.0298","","","0.0743","0.0768","","","","","","1.041","","","","has coordinates,has Fobs","252015","2020-10-21","18:00:00",""
"2243388","7.882","0.0005","15.2092","0.0011","13.9871","0.0009","90","","103.367","0.002","90","","1631.33","0.19","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')oxido(pyridine-κ<i>N</i>)vanadium(IV)","","- C15 H19 N O5 V -","- C15 H19 N O5 V -","- C60 H76 N4 O20 V4 -","4","0.5","ZL2781","Rood, Jeffrey A.; Reehl, Steven R.; Jacoby, Kaitlyn A.; Oliver, Allen","Crystal structures of a series of bis(acetylacetonato)oxovanadium(IV) complexes containing N-donor pyridyl ligands","Acta Crystallographica Section E","2020","76","6","826","830","10.1107/S2056989020006246","","","0.71073","MoKα","","0.0303","0.0267","","","0.0708","0.0725","","","","","","1.062","","","","has coordinates,has Fobs","252093","2020-10-21","18:00:00",""
"2243389","9.193","0.0009","13.508","0.0009","13.3651","0.0009","90","","99.03","0.003","90","","1639.1","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')oxido(pyridine-4-carbonitrile-κ<i>N</i>)vanadium(IV)","","- C16 H18 N2 O5 V -","- C16 H18 N2 O5 V -","- C64 H72 N8 O20 V4 -","4","0.5","ZL2781","Rood, Jeffrey A.; Reehl, Steven R.; Jacoby, Kaitlyn A.; Oliver, Allen","Crystal structures of a series of bis(acetylacetonato)oxovanadium(IV) complexes containing N-donor pyridyl ligands","Acta Crystallographica Section E","2020","76","6","826","830","10.1107/S2056989020006246","","","0.71073","MoKα","","0.0314","0.0265","","","0.0691","0.0714","","","","","","1.08","","","","has coordinates,has Fobs","252093","2020-10-21","18:00:00",""
"2243390","9.6619","0.0015","11.9922","0.0019","15.344","0.002","90","","94.651","0.002","90","","1772","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(4-methoxypyridine-κ<i>N</i>)oxidovanadium(IV)","","- C16 H21 N O6 V -","- C16 H21 N O6 V -","- C64 H84 N4 O24 V4 -","4","1","ZL2781","Rood, Jeffrey A.; Reehl, Steven R.; Jacoby, Kaitlyn A.; Oliver, Allen","Crystal structures of a series of bis(acetylacetonato)oxovanadium(IV) complexes containing N-donor pyridyl ligands","Acta Crystallographica Section E","2020","76","6","826","830","10.1107/S2056989020006246","","","0.71073","MoKα","","0.0397","0.0302","","","0.0755","0.0806","","","","","","1.047","","","","has coordinates,has Fobs","252093","2020-10-21","18:00:00",""
"2243391","7.7343","0.0003","46.8973","0.0016","13.258","0.0005","90","","99.211","0.001","90","","4746.9","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato]copper(II) 3,4-ethylenedioxythiophene trisolvate","","- C48 H20 Cu F20 O10 S3 -","- C48 H20 Cu F20 O10 S3 -","- C192 H80 Cu4 F80 O40 S12 -","4","1","TX2020","Habuka, Yusuke; Takeuchi, Emily Ami; Hori, Akiko","Co-crystal structure, Hirshfeld surface analysis and DFT studies of 3,4-ethylenedioxythiophene solvated bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato]copper(II)","Acta Crystallographica Section E","2020","76","6","820","825","10.1107/S2056989020006155","","","0.71073","MoKα","","0.0537","0.049","","","0.1028","0.1059","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","252094","2020-10-21","18:00:00",""
"2243392","10.6829","0.0006","13.1701","0.0006","13.5563","0.0007","90","","108.97","0.005","90","","1803.71","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Fluorophenyl)piperazin-1-ium 2-hydroxy-3,5-dinitrobenzoate","","- C17 H17 F N4 O7 -","- C17 H17 F N4 O7 -","- C68 H68 F4 N16 O28 -","4","1","WM5557","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Archana, Sreeramapura D.; Foro, Sabine; Glidewell, Christopher","Three 4-(4-fluorophenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2020","76","6","841","847","10.1107/S2056989020006398","","","0.71073","MoKα","","0.0614","0.0407","","","0.0979","0.1078","","","","","","1.025","","","","has coordinates,has Fobs","252095","2020-10-21","18:00:00",""
"2243393","17.0606","0.0006","5.782","0.0002","12.5815","0.0005","90","","102.761","0.004","90","","1210.44","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Fluorophenyl)piperazin-1-ium hydrogen oxalate","","- C12 H15 F N2 O4 -","- C12 H15 F N2 O4 -","- C48 H60 F4 N8 O16 -","4","1","WM5557","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Archana, Sreeramapura D.; Foro, Sabine; Glidewell, Christopher","Three 4-(4-fluorophenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2020","76","6","841","847","10.1107/S2056989020006398","","","0.71073","MoKα","","0.0395","0.0325","","","0.0855","0.0893","","","","","","1.034","","","","has coordinates,has Fobs","252095","2020-10-21","18:00:00",""
"2243394","7.0961","0.0004","7.4967","0.0004","30.757","0.002","90","","90","","90","","1636.19","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(4-Fluorophenyl)piperazin-1-ium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate monohydrate","","- C14 H21 F N2 O7 -","- C14 H21 F N2 O7 -","- C56 H84 F4 N8 O28 -","4","1","WM5557","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Archana, Sreeramapura D.; Foro, Sabine; Glidewell, Christopher","Three 4-(4-fluorophenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2020","76","6","841","847","10.1107/S2056989020006398","","","0.71073","MoKα","","0.0699","0.045","","","0.0768","0.0846","","","","","","1.14","","","","has coordinates,has Fobs","252095","2020-10-21","18:00:00",""
"2243395","12.0423","0.0008","12.3722","0.0008","12.6875","0.0009","102.839","0.003","111.628","0.003","90.722","0.004","1704","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Bis(μ-3-chlorobenzoato)hexakis(dimethylformamide)tetrakis(μ~4~-<i>N</i>,2-dioxidobenzene-1-carboximidato)tetramanganese(III)disodium(I)","","- C60 H66.01 Cl2 Mn4 N10 Na2 O22 -","- C60.0048 H66.0112 Cl2 Mn4 N10.0016 Na2 O22.0016 -","- C60.0048 H66.0112 Cl2 Mn4 N10.0016 Na2 O22.0016 -","1","0.5","MW2160","Zaleski, Curtis M.; Zeller, Matthias","Synthesis and crystal structure of two manganese-based 12-metallacrown-4 complexes: Na~2~(3-chlorobenzoate)~2~[12-MC~Mn(III)N(shi)~-4](DMF)~6~ and MnNa(3-chlorobenzoate)~3~[12-MC~Mn(III)N(shi)~-4](DMF)(H~2~O)~4~·4DMF·0.72H~2~O","Acta Crystallographica Section E","2020","76","6","848","856","10.1107/S2056989020006362","","","1.54178","CuKα","","0.0542","0.045","","","0.1233","0.1284","","","","","","1.122","","","","has coordinates,has disorder,has Fobs","252206","2020-10-21","18:00:00",""
"2243396","14.1955","0.0009","16.3349","0.0011","16.6144","0.001","90","","94.235","0.002","90","","3842.1","0.4","150","2","150","2","","","","","","","","7","P 1 n 1","P -2yac","7","","Tetra-μ-aqua-tris(μ-3-chlorobenzoato)(dimethylformamide)tetrakis(μ~4~-<i>N</i>,2-dioxidobenzene-1-carboximidato)pentamanganese(III)sodium(I) dimethylformamide tetraolvate 0.72-hydrate","","- C64 H72.44 Cl3 Mn5 N9 Na O27.72 -","- C64 H72.436 Cl3 Mn5 N9 Na O27.718 -","- C128 H144.872 Cl6 Mn10 N18 Na2 O55.436 -","2","1","","Zaleski, Curtis M.; Zeller, Matthias","Synthesis and crystal structure of two manganese-based 12-metallacrown-4 complexes: Na~2~(3-chlorobenzoate)~2~[12-MC~Mn(III)N(shi)~-4](DMF)~6~ and MnNa(3-chlorobenzoate)~3~[12-MC~Mn(III)N(shi)~-4](DMF)(H~2~O)~4~·4DMF·0.72H~2~O","Acta Crystallographica Section E","2020","76","6","848","856","10.1107/S2056989020006362","","","0.71073","MoKα","","0.0429","0.0342","","","0.0863","0.0913","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","252206","2020-10-21","18:00:00",""
"2243397","7.7817","0.0002","9.5743","0.0003","11.1516","0.0004","113.721","0.003","90.064","0.002","112.397","0.003","691.47","0.05","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Bis[(pyridin-4-yl)methyl]ethanediamide‒3-chlorobenzoic acid (1/1)","","- C14 H12 Cl N2 O3 -","- C14 H12 Cl N2 O3 -","- C28 H24 Cl2 N4 O6 -","2","1","WM5558","Tan, Sang Loon; Tiekink, Edward R. T.","Crystal structure, Hirshfeld surface analysis and computational study of the 1:2 co-crystal formed between <i>N</i>,<i>N</i>'-bis[(pyridin-4-yl)methyl]ethanediamide and 3-chlorobenzoic acid","Acta Crystallographica Section E","2020","76","6","870","876","10.1107/S2056989020006568","","x-ray","1.54184","CuKα","","0.0514","0.0469","","","0.1234","0.1277","","","","","","1.069","","","","has coordinates,has Fobs","252207","2020-10-21","18:00:00",""
"2243398","26.225","0.006","7.9955","0.0017","13.772","0.003","90","","111.08","0.003","90","","2694.5","1","150","2","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2'-(4-Nitrobenzoyloxy)acetophenone 0.07-hydrate","2-Acetylphenyl 4-nitrobenzoate 0.07-hydrate","","- C15 H11.15 N O5.07 -","- C15 H11.148 N O5.074 -","- C120 H89.184 N8 O40.592 -","8","1","DJ2001","Bogdanov, Georgii; Bustos, Jenna; Glebov, Viktor; Oskolkov, Evgenii; Tillotson, John P.; Timofeeva, Tatiana V.","Molecular and crystal structure, lattice energy and DFT calculations of two 2'-(nitrobenzoyloxy)acetophenone isomers","Acta Crystallographica Section E","2020","76","6","857","861","10.1107/S2056989020006295","","","0.71073","MoKα","","0.0606","0.0421","","","0.106","0.1164","","","","","","1.046","","","","has coordinates,has Fobs","252208","2020-10-21","18:00:00",""
"2243399","12.209","0.005","14.307","0.006","7.418","0.003","90","","92.815","0.007","90","","1294.2","0.9","100.15","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2'-(2-Nitrobenzoyloxy)acetophenone","2-Acetylphenyl 2-nitrobenzoate","","- C15 H11 N O5 -","- C15 H11 N O5 -","- C60 H44 N4 O20 -","4","1","","Bogdanov, Georgii; Bustos, Jenna; Glebov, Viktor; Oskolkov, Evgenii; Tillotson, John P.; Timofeeva, Tatiana V.","Molecular and crystal structure, lattice energy and DFT calculations of two 2'-(nitrobenzoyloxy)acetophenone isomers","Acta Crystallographica Section E","2020","76","6","857","861","10.1107/S2056989020006295","","","0.71073","MoKα","","0.0505","0.0402","","","0.114","0.1216","","","","","","1.058","","","","has coordinates,has Fobs","252208","2020-10-21","18:00:00",""
"2243400","12.9844","0.0002","11.9583","0.0001","19.3729","0.0002","90","","90","","90","","3008.06","0.06","100","2","100.15","","","","","","","","","2","P b c a","-P 2ac 2ab","61","6-Cyclopropyl-1,3-diphenylfulvene","5-(Cyclopropylmethylidene)-1,3-diphenylcyclopenta-1,3-diene","","- C21 H18 -","- C21 H18 -","- C168 H144 -","8","1","YK2129","Brown, Loren C.; Iacono, Scott T.; Balaich, Gary J.","Crystal structures of 6-cyclopropyl-1,3-diphenylfulvene and 6-(2,3-dimethoxynaphthyl)-1,3-diphenylfulvene","Acta Crystallographica Section E","2020","76","6","896","899","10.1107/S2056989020006441","","x-ray","0.71073","MoKα","","0.0406","0.0356","","","0.0911","0.094","","","","","","1.081","","","","has coordinates,has Fobs","252315","2020-10-21","18:00:00",""
"2243401","7.3431","0.0001","11.5468","0.0001","25.7555","0.0003","90","","90","","90","","2183.79","0.04","100","2","100.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","6-(3,4-Dimethoxynaphthalen-2-yl)-1,3-diphenylfulvene","5-[(3,4-Dimethoxynaphthalen-2-yl)methylidene]-1,3-diphenylcyclopenta-1,3-diene","","- C30 H24 O2 -","- C30 H24 O2 -","- C120 H96 O8 -","4","1","","Brown, Loren C.; Iacono, Scott T.; Balaich, Gary J.","Crystal structures of 6-cyclopropyl-1,3-diphenylfulvene and 6-(2,3-dimethoxynaphthyl)-1,3-diphenylfulvene","Acta Crystallographica Section E","2020","76","6","896","899","10.1107/S2056989020006441","","x-ray","0.71073","MoKα","","0.0374","0.0335","","","0.0794","0.0816","","","","","","1.042","","","","has coordinates,has Fobs","252315","2020-10-21","18:00:00",""
"2243402","10.7716","0.001","7.4153","0.0013","38.175","0.007","90","","92.311","0.005","90","","3046.7","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Gefitinib‒azelaic acid (1/1)","Quinazolin-4-amine‒nonanedioic acid (1/1)","","- C31 H40 Cl F N4 O7 -","- C31 H40 Cl F N4 O7 -","- C124 H160 Cl4 F4 N16 O28 -","4","1","PK2627","George, Christy P.; Sangtani, Ekta; Gonnade, Rajesh G.","Crystal structure of a 1:1 co-crystal of the anticancer drug gefitinib with azelaic acid","Acta Crystallographica Section E","2020","76","6","884","888","10.1107/S2056989020006623","","","0.71073","MoKα","","0.0697","0.0452","","","0.1005","0.1103","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","252316","2020-10-21","18:00:00",""
"2243403","8.8581","0.0019","9.183","0.002","13.021","0.003","106.474","0.003","109.398","0.003","93.383","0.003","944.2","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-4-Hexyl-2-(4-methylbenzylidene)-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one","","- C22 H25 N O S -","- C22 H25 N O S -","- C44 H50 N2 O2 S2 -","2","1","EX2032","Sebbar, Ghizlane; Hni, Brahim; Hökelek, Tuncer; Mague, Joel T.; Sebbar, Nada Kheira; Belkadi, Bouchra; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and interaction energy, DFT and antibacterial activity studies of (<i>Z</i>)-4-hexyl-2-(4-methylbenzylidene)-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one","Acta Crystallographica Section E","2020","76","6","889","895","10.1107/S205698902000657X","","","0.71073","MoKα","","0.0588","0.046","","","0.1262","0.1335","","","","","","1.077","","","","has coordinates,has Fobs","252317","2020-10-21","18:00:00",""
"2243404","16.326","0.004","8.0566","0.0019","20.565","0.005","90","","104.497","0.006","90","","2618.8","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-{[6,7-Dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]methylidene}-1,2,3,9-tetrahydropyrrolo[2,1-<i>b</i>]quinazolin-9-one methanol monosolvate","","- C30 H30 N4 O6 -","- C30 H30 N4 O6 -","- C120 H120 N16 O24 -","4","1","","Tojiboev, Akmal; Zhurakulov, Sherzod; Vinogradova, Valentina; Englert, Ulli; Wang, Ruimin","Stereochemistry of the methylidene-bridged quinazoline-isoquinoline alkaloid 3-{[6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]methylidene}-1,2,3,9-tetrahydropyrrolo[2,1-<i>b</i>]quinazolin-9-one methanol monosolvate","Acta Crystallographica Section E","2020","76","6","914","919","10.1107/S2056989020006696","","","0.71073","MoKα","","0.1171","0.0608","","","0.1427","0.1641","","","","","","1.037","","","","has coordinates,has Fobs","252318","2020-10-21","18:00:00",""
"2243405","9.3581","0.0005","10.5306","0.0006","17.0141","0.001","90","","91.967","0.002","90","","1675.69","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Diethyl 5-(2-cyanophenoxy)isophthalate","Diethyl 5-(2-cyanophenoxy)benzene-1,3-dicarboxylate","","- C19 H17 N O5 -","- C19 H17 N O5 -","- C76 H68 N4 O20 -","4","1","EX2031","Muslim, Mohd; Ali, Arif; Kamaal, Saima; Ahmad, Musheer; Afzal, Mohd; Plutenko, Maksym O.","Crystal structure and Hirshfeld surface analysis of diethyl 5-(2-cyanophenoxy)isophthalate","Acta Crystallographica Section E","2020","76","6","905","908","10.1107/S2056989020004508","","","0.71073","MoKα","","0.0674","0.0442","","","0.0933","0.1097","","","","","","1.0988","","","","has coordinates,has Fobs","252319","2020-10-21","18:00:00",""
"2243406","11.5171","0.0005","4.4212","0.0002","13.9752","0.0007","90","","104.698","0.003","90","","688.32","0.06","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(μ~3~-3,4-diaminobenzoato-κ^3^<i>N</i>^3^,<i>O</i>,<i>O</i>')manganese(II)]","","- C14 H14 Mn N4 O4 -","- C14 H14 Mn N4 O4 -","- C28 H28 Mn2 N8 O8 -","2","0.5","IS5538","Khosa, Muhammad Kaleem; Wood, Paul T.; Humphrey, Simon M.; Harrison, William T. A.","Hydrothermal synthesis and crystal structure of poly[bis(μ~3~-3,4-diaminobenzoato)manganese], a layered coordination polymer","Acta Crystallographica Section E","2020","76","6","909","913","10.1107/S2056989020006805","","","0.71073","MoKα","","0.0423","0.031","","","0.0697","0.0742","","","","","","1.048","","","","has coordinates,has Fobs","252320","2020-10-21","18:00:00",""
"2243407","25.39","0.004","7.3865","0.001","18.2424","0.0016","90","","98.161","0.01","90","","3386.6","0.8","200","0.1","200","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^)nickel(II)]-μ-4,4'-(diphenylsilanediyl)dibenzoato-κ^2^<i>O</i>:<i>O</i>'] sesquihydrate]","","- C72 H90 N8 Ni2 O11 Si2 -","- C72 H90 N8 Ni2 O11 Si2 -","- C144 H180 N16 Ni4 O22 Si4 -","2","0.25","HB7914","Gavrish, Sergey P.; Shova, Sergiu; Cazacu, Maria; Lampeka, Yaroslaw D.","Crystal structure of the one-dimensional coordination polymer formed by the macrocyclic [Ni(cyclam)]^2+^ cation and the dianion of diphenylsilanediylbis(4-benzoic acid)","Acta Crystallographica Section E","2020","76","6","929","932","10.1107/S2056989020006544","","","0.71073","MoKα","","0.1131","0.0658","","","0.1199","0.1466","","","","","","1.027","","","","has coordinates,has Fobs","252477","2020-10-21","18:00:00",""
"2243408","11.3654","0.001","14.243","0.0012","25.168","0.002","90","","91.207","0.001","90","","4073.2","0.6","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dimethyl 5-(4-ethylphenyl)-4-[(4-ethylphenyl)ethynyl]-6,11-diphenyl-1,3,6,11-tetrahydro-2<i>H</i>-6,11-epoxycyclopenta[<i>a</i>]anthracene-2,2-dicarboxylate","","- C51 H42 O5 -","- C51 H42 O5 -","- C204 H168 O20 -","4","1","","Meng, Xiang-Zhen; Cheng, Dong","Crystal structure of dimethyl 5-(4-ethylphenyl)-4-[(4-ethylphenyl)ethynyl]-6,11-diphenyl-1,3,6,11-tetrahydro-2<i>H</i>-6,11-epoxycyclopenta[<i>a</i>]anthracene-2,2-dicarboxylate","Acta Crystallographica Section E","2020","76","6","954","957","10.1107/S2056989020006404","","","0.71073","MoKα","","0.0741","0.056","","","0.1535","0.1694","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","252478","2020-10-21","18:00:00",""
"2243409","7.9074","0.001","12.4794","0.0016","10.6248","0.0014","90","","102.394","0.003","90","","1024","0.2","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Dimethoxy-2,5-bis[2-(4-nitrophenyl)ethenyl]benzene","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C48 H40 N4 O12 -","2","0.5","YK2130","Bogdanov, Georgii; Oskolkov, Evgenii; Bustos, Jenna; Glebov, Viktor; Tillotson, John P.; Timofeeva, Tatiana V.","Molecular and crystal structure, optical properties and DFT studies of 1,4-dimethoxy-2,5-bis[2-(4-nitrophenyl)ethenyl]benzene","Acta Crystallographica Section E","2020","76","6","940","943","10.1107/S205698902000674X","","","0.71073","MoKα","","0.0712","0.0475","","","0.1251","0.1451","","","","","","1.035","","","","has coordinates,has Fobs","252479","2020-10-21","18:00:00",""
"2243410","9.7123","0.0008","23.4964","0.0019","7.6264","0.0006","90","","97.052","0.004","90","","1727.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Bromoanilinium nitrate","<i>p</i>-Bromoanilinium nitrate","","- C6 H7 Br N2 O3 -","- C6 H7 Br N2 O3 -","- C48 H56 Br8 N16 O24 -","8","2","MW2155","Anbarasan, Radhakrishnan; Eniya, Palaniyasan; Kalyana Sundar, Jeyaperumal; Mengesha Woldemariam, Menberu","Crystal structure and Hirshfeld surface analysis of 4-bromoanilinium nitrate","Acta Crystallographica Section E","2020","76","6","973","976","10.1107/S2056989020006945","","","0.71073","MoKα","","0.1304","0.0593","","","","0.1828","","","","","","1.022","","","","has coordinates","252480","2020-10-21","18:00:00",""
"2243411","7.0008","0.0013","5.5112","0.001","18.544","0.003","90","","100.155","0.004","90","","704.3","0.2","100","","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","6-(Octyloxy)hexahydrofuro[3,2-<i>b</i>]furan-3-ol","","- C14 H26 O4 -","- C14 H26 O4 -","- C28 H52 O8 -","2","1","ZQ2253","Geburtig, Felix; Vill, Volkmar","2-<i>O</i>-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths","Acta Crystallographica Section E","2020","76","6","924","928","10.1107/S2056989020006647","","","0.71073","MoKα","","0.0493","0.0422","","","0.1062","0.1099","","","","","","1.101","","","","has coordinates,has Fobs","252482","2020-10-21","18:00:00",""
"2243412","6.9892","0.0002","5.4888","0.0002","20.8041","0.0006","90","","91.302","0.003","90","","797.89","0.04","99.99","0.1","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","6-(Decyloxy)hexahydrofuro[3,2-<i>b</i>]furan-3-ol","","- C16 H30 O4 -","- C16 H30 O4 -","- C32 H60 O8 -","2","1","","Geburtig, Felix; Vill, Volkmar","2-<i>O</i>-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths","Acta Crystallographica Section E","2020","76","6","924","928","10.1107/S2056989020006647","","","1.54184","CuKα","","0.0464","0.0422","","","0.115","0.1183","","","","","","1.072","","","","has coordinates,has Fobs","252482","2020-10-21","18:00:00",""
"2243413","7.025","0.0005","5.4674","0.0005","23.377","0.002","90","","97.051","0.009","90","","891.08","0.13","99.8","0.4","99.8","0.4","","","","","","","","3","P 1 21 1","P 2yb","4","","6-(Dodecyloxy)hexahydrofuro[3,2-<i>b</i>]furan-3-ol","","- C18 H34 O4 -","- C18 H34 O4 -","- C36 H68 O8 -","2","1","","Geburtig, Felix; Vill, Volkmar","2-<i>O</i>-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths","Acta Crystallographica Section E","2020","76","6","924","928","10.1107/S2056989020006647","","","0.71073","MoKα","","0.1043","0.0824","","","0.1887","0.2015","","","","","","1.103","","","","has coordinates,has Fobs","252482","2020-10-21","18:00:00",""
"2243414","7.04","0.006","5.438","0.005","25.56","0.02","90","","91.914","0.009","90","","978","1.4","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","6-(Tetradecyloxy)hexahydrofuro[3,2-<i>b</i>]furan-3-ol","","- C20 H38 O4 -","- C20 H38 O4 -","- C40 H76 O8 -","2","1","","Geburtig, Felix; Vill, Volkmar","2-<i>O</i>-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths","Acta Crystallographica Section E","2020","76","6","924","928","10.1107/S2056989020006647","","","0.71073","MoKα","","0.089","0.0554","","","0.1252","0.1401","","","","","","1.038","","","","has coordinates,has Fobs","252482","2020-10-21","18:00:00",""
"2243415","6.8291","0.0005","7.867","0.0011","15.814","0.003","100.607","0.011","99.011","0.01","105.054","0.007","787.5","0.2","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","1-Ethyl 2-methyl 3,4-bis(acetyloxy)pyrrolidine-1,2-dicarboxylate","","- C13 H19 N O8 -","- C13 H19 N O8 -","- C26 H38 N2 O16 -","2","1","HB7916","Dallasta Pedroso, Sofia; Caracelli, Ignez; Zukerman-Schpector, Julio; Soto-Monsalve, Monica; De Almeida Santos, Regina H.; Correia, Carlos Roque D.; Llanes Garcia, Ariel L.; Kwong, Huey Chong; Tiekink, Edward R. T.","1-Ethyl 2-methyl 3,4-bis(acetyloxy)pyrrolidine-1,2-dicarboxylate: crystal structure, Hirshfeld surface analysis and computational chemistry","Acta Crystallographica Section E","2020","76","6","967","972","10.1107/S205698902000701X","","","0.71073","MoKα","","0.11","0.0419","","","0.104","0.1279","","","","","","0.986","","","","has coordinates,has Fobs","252483","2020-10-21","18:00:00",""
"2243416","19.1636","0.0011","6.0482","0.0003","17.023","0.001","90","","104.37","0.005","90","","1911.33","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(Naphthalen-2-yl)-<i>N</i>-[(<i>Z</i>)-4-propoxybenzylidene]-1,3-thiazol-2-amine","","- C23 H20 N2 O S -","- C23 H20 N2 O S -","- C92 H80 N8 O4 S4 -","4","1","WM5556","Sheakh Mohamad, Ropak A.; Hamad, Wali M.; Aziz, Hashim J.","Crystal structure and Hirshfeld surface analysis of 4-(naphthalen-2-yl)-<i>N</i>-[(<i>Z</i>)-4-propoxybenzylidene]-1,3-thiazol-2-amine","Acta Crystallographica Section E","2020","76","6","920","923","10.1107/S2056989020006611","","","0.71073","MoKα","","0.1308","0.0555","","","0.0725","0.0872","","","","","","0.956","","","","has coordinates,has Fobs","252484","2020-10-21","18:00:00",""
"2243417","9.3","0.0003","7.9798","0.0002","13.2586","0.0004","90","","106.872","0.001","90","","941.6","0.05","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[aquahemi[μ~2~-3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine](μ~3~-sulfato)cadmium(II)]","","- C5 H6 Cd N4 O5 S -","- C5 H6 Cd N4 O5 S -","- C20 H24 Cd4 N16 O20 S4 -","4","1","WM5546","Jiajaroen, Suwadee; Chainok, Kittipong","Crystal structure of a cadmium sulfate coordination polymer based on the 3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine ligand","Acta Crystallographica Section E","2020","76","6","958","961","10.1107/S2056989020006830","","x-ray","0.71073","MoKα","","0.0144","0.0144","","","0.037","0.037","","","","","","1.118","","","","has coordinates,has disorder,has Fobs","252485","2020-10-21","18:00:00",""
"2243418","7.1608","0.0002","8.8771","0.0002","10.0728","0.0002","96.815","0.002","96.057","0.002","95.99","0.002","627.78","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-[Carbamothioyl(2-hydroxyethyl)amino]ethyl benzoate","","- C12 H16 N2 O3 S -","- C12 H16 N2 O3 S -","- C24 H32 N4 O6 S2 -","2","1","HB7918","Tan, Sang Loon; Tiekink, Edward R. T.","2-[Carbamothioyl(2-hydroxyethyl)amino]ethyl benzoate: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2020","76","6","933","939","10.1107/S2056989020006829","","x-ray","1.54184","CuKα","","0.0279","0.0272","","","0.0713","0.072","","","","","","1.018","","","","has coordinates,has Fobs","252486","2020-10-21","18:00:00",""
"2243419","16.212","0.003","5.9584","0.0012","19.45","0.004","90","","110.537","0.003","90","","1759.4","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(4-Allyl-2-methoxyphenoxy)methyl]-1-(4-methoxyphenyl)-1<i>H</i>-1,2,3-triazole","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C80 H84 N12 O12 -","4","1","WM5559","Taia, Abdelmaoujoud; Essaber, Mohamed; Aatif, Abdeljalil; Chkirate, Karim; Hökelek, Tuncer; Mague, Joel T.; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface analysis, interaction energy and DFT studies of 4-[(4-allyl-2-methoxyphenoxy)methyl]-1-(4-methoxyphenyl)-1<i>H</i>-1,2,3-triazole","Acta Crystallographica Section E","2020","76","6","962","966","10.1107/S2056989020006994","","","0.71073","MoKα","","0.0507","0.0437","","","0.1278","0.1324","","","","","","1.093","","","","has coordinates,has Fobs","252487","2020-10-21","18:00:00",""
"2243420","5.1245","0.0001","12.0491","0.0002","15.7118","0.0003","90","","90","","90","","970.13","0.03","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Strontium tetracobalt tris(orthophosphate) hydroxide","","- Co4 H O13 P3 Sr -","- Co4 H O13 P3 Sr -","- Co16 H4 O52 P12 Sr4 -","4","1","WM5562","Cherif, Fatima-Zahra; Taibi, Mhamed; Boukhari, Ali; Aride, Jilali; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of SrCo~4~(OH)(PO~4~)~3~, a new hydroxyphosphate","Acta Crystallographica Section E","2020","76","7","1022","1026","10.1107/S2056989020007331","","","0.71073","MoKα","","0.0236","0.0215","","","0.0494","0.0498","","","","","","1.069","","","","has coordinates,has Fobs","252978","2020-10-21","18:00:00",""
"2243421","7.209","0.0007","8.1422","0.0008","12.3904","0.0014","71.842","0.012","74.702","0.012","72.694","0.012","647.93","0.13","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","[μ~2~-2,5,8,11,14,17-Hexathia-[9.9](2,6,3,5)-pyrazinophane]bis[bromidocopper(II)] dibromide","","- C16 H24 Br4 Cu2 N2 S6 -","- C16 H24 Br4 Cu2 N2 S6 -","- C16 H24 Br4 Cu2 N2 S6 -","1","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Crystal structures of [(μ~2~-L1)dibromidodicopper(II)] dibromide and poly[[(μ~2~-L1)diiodidodicopper(I)]-di-μ-iodido-dicopper(I)], where L1 is 2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane","Acta Crystallographica Section E","2020","76","7","984","989","10.1107/S2056989020007161","","","0.71073","MoKα","","0.0696","0.06","","","0.1485","0.1529","","","","","","1.006","","","","has coordinates,has Fobs","252979","2020-10-21","18:00:00",""
"2243422","7.7713","0.0008","8.9456","0.0009","11.2464","0.0014","106.839","0.013","104.644","0.013","93.412","0.012","716.53","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[[μ~2~-2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane]tetra-μ-iodido-tetracopper(I)]","","- C16 H24 Cu4 I4 N2 S6 -","- C16 H24 Cu4 I4 N2 S6 -","- C16 H24 Cu4 I4 N2 S6 -","1","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Crystal structures of [(μ~2~-L1)dibromidodicopper(II)] dibromide and poly[[(μ~2~-L1)diiodidodicopper(I)]-di-μ-iodido-dicopper(I)], where L1 is 2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane","Acta Crystallographica Section E","2020","76","7","984","989","10.1107/S2056989020007161","","","0.71073","MoKα","","0.0923","0.0699","","","0.176","0.1834","","","","","","0.95","","","","has coordinates,has Fobs","252979","2020-10-21","18:00:00",""
"2243423","23.5593","0.0011","9.2849","0.0005","7.7927","0.0004","90","","104.009","0.001","90","","1653.92","0.15","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2-Fluorophenyl)-1<i>H</i>-tetrazole-5(4<i>H</i>)-thione","","- C7 H5 F N4 S -","- C7 H5 F N4 S -","- C56 H40 F8 N32 S8 -","8","1","YK2131","Askerov, Rizvan K.; Maharramov, Abel M.; Khalilov, Ali N.; Akkurt, Mehmet; Akobirshoeva, Anzurat A.; Osmanov, V. K.; Borisov, A. V.","Crystal structure and Hirshfeld surface analysis of 1-(2-fluorophenyl)-1<i>H</i>-tetrazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2020","76","7","1007","1011","10.1107/S2056989020007033","","","0.71073","MoKα","","0.0418","0.0364","","","0.0927","0.0983","","","","","","1.001","","","","has coordinates,has Fobs","252980","2020-10-21","18:00:00",""
"2243424","9.3903","0.0007","26.8178","0.0019","11.5639","0.0008","90","","101.635","0.002","90","","2852.3","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3',6'-Bis(diethylamino)-2-[(2-hydroxybenzylidene)amino]spiro[isoindoline-1,9'-xanthen]-3-one","","- C35 H36 N4 O3 -","- C35 H36 N4 O3 -","- C140 H144 N16 O12 -","4","1","ZQ2251","Suramitr, Songwut; Teanwarawat, Jitpinan; Ithiapa, Nuttapong; Wattanathana, Worawat; Suramitr, Anwaraporn","Crystal structure, Hirshfeld surface analysis and computational study of a rhodamine B‒salicylaldehyde Schiff base derivative","Acta Crystallographica Section E","2020","76","7","1027","1032","10.1107/S2056989020007197","","","1.54178","CuKα","","0.0416","0.0415","","","0.0991","0.0992","","","","","","1.066","","","","has coordinates,has Fobs","252981","2020-10-21","18:00:00",""
"2243425","8.3146","0.0003","8.6714","0.0004","14.5827","0.0006","90.534","0.004","104.376","0.004","101.135","0.003","997.49","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","(η^2^-2-Allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κ<i>C</i>^1^)chlorido(pyridine-κ<i>N</i>)platinum(II)","","- C20 H24 Cl N O4 Pt -","- C20 H24 Cl N O4 Pt -","- C40 H48 Cl2 N2 O8 Pt2 -","2","1","MW2159","Chi, Nguyen Thi Thanh; Thong, Pham Van; Van Meervelt, Luc","Crystal structures of three platinacyclic complexes bearing isopropyl eugenoxyacetate and pyridine derivatives","Acta Crystallographica Section E","2020","76","7","1012","1017","10.1107/S2056989020006957","","","0.71073","MoKα","","0.0201","0.0183","","","0.0386","0.0395","","","","","","1.054","","","","has coordinates,has Fobs","252982","2020-10-21","18:00:00",""
"2243426","8.36089","0.00015","9.12717","0.00016","14.5582","0.0003","94.9089","0.0015","102.277","0.0016","100.454","0.0015","1058.58","0.04","100","","100","","","","","","","","","6","P -1","-P 1","2","","(η^2^-2-Allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κ<i>C</i>^1^)chlorido(4-methylpyridine-κ<i>N</i>)platinum(II)","","- C21 H26 Cl N O4 Pt -","- C21 H26 Cl N O4 Pt -","- C42 H52 Cl2 N2 O8 Pt2 -","2","1","MW2159","Chi, Nguyen Thi Thanh; Thong, Pham Van; Van Meervelt, Luc","Crystal structures of three platinacyclic complexes bearing isopropyl eugenoxyacetate and pyridine derivatives","Acta Crystallographica Section E","2020","76","7","1012","1017","10.1107/S2056989020006957","","","0.71073","MoKα","","0.0132","0.0128","","","0.0325","0.0327","","","","","","1.123","","","","has coordinates,has Fobs","252982","2020-10-21","18:00:00",""
"2243427","7.8746","0.0002","9.7566","0.0002","15.0004","0.0004","95.782","0.002","102.874","0.002","93.843","0.002","1113.02","0.05","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","(η^2^-2-Allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κ<i>C</i>^1^)chlorido(pyridine-4-carboxylic acid-κN)platinum(II)","","- C21 H24 Cl N O6 Pt -","- C21 H24 Cl N O6 Pt -","- C42 H48 Cl2 N2 O12 Pt2 -","2","1","MW2159","Chi, Nguyen Thi Thanh; Thong, Pham Van; Van Meervelt, Luc","Crystal structures of three platinacyclic complexes bearing isopropyl eugenoxyacetate and pyridine derivatives","Acta Crystallographica Section E","2020","76","7","1012","1017","10.1107/S2056989020006957","","x-ray","0.71073","MoKα","","0.0292","0.0268","","","0.0659","0.0683","","","","","","1.051","","","","has coordinates,has Fobs","252982","2020-10-21","18:00:00",""
"2243428","12.87828","0.00018","6.88418","0.0001","16.208","0.0002","90","","108.151","0.0008","90","","1365.44","0.03","173","2","172.98","","","","","","","","","5","P 1 c 1","P -2yc","7","","<i>N</i>,<i>N</i>-Diisopropyl-4-methylbenzenesulfonamide","","- C13 H21 N O2 S -","- C13 H21 N O2 S -","- C52 H84 N4 O8 S4 -","4","2","PK2628","Stenfors, Brock A.; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N.","Crystal structure of <i>N</i>,<i>N</i>-diisopropyl-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2020","76","7","1018","1021","10.1107/S2056989020007185","","","1.54178","CuKα","","0.0436","0.0422","","","0.1079","0.1094","","","","","","1.072","","","","has coordinates,has Fobs","252984","2020-10-21","18:00:00",""
"2243429","21.1326","0.001","8.547","0.0004","29.9188","0.0014","90","","90","","90","","5403.9","0.4","88","2","88","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Aqua(<i>tert</i>-butylcyanamidato)(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium(I)‒(<i>tert</i>-butylcyanamidato)(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium(I)‒<i>N</i>,<i>N</i>'-di-<i>tert</i>-butylcarbodiimide (1/1/1)","","- C43 H88 K2 N6 O14 -","- C43 H88 K2 N6 O14 -","- C172 H352 K8 N24 O56 -","4","1","MW2161","Chung, Amanda B.; Ziller, Joseph W.; Evans, William J.","Reductive cleavage of <i>N</i>,<i>N</i>'-di-<i>tert</i>-butylcarbodiimide generates <i>tert</i>-butylcyanamide ligands, (Me~3~CNCN)^{-^}, that bind potassium both end-on and side-on in the same single crystal","Acta Crystallographica Section E","2020","76","7","1047","1050","10.1107/S205698902000732X","","","0.71073","MoKα","","0.0455","0.0326","","","0.0606","0.0649","","","","","","1.017","","","","has coordinates,has Fobs","253057","2020-10-21","18:00:00",""
"2243430","9.7515","0.0005","9.8203","0.0005","26.6696","0.0016","92.338","0.002","91.212","0.002","94.048","0.002","2544.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-{2,2-Dichloro-1-[(<i>E</i>)-(4-chlorophenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","","- C16 H14 Cl3 N3 -","- C16 H14 Cl3 N3 -","- C96 H84 Cl18 N18 -","6","3","WM5554","Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Mukhtarova, Sevinc H.; Suleymanova, Gulnar T.; Toze, Flavien A. A.","Crystal structure and Hirshfeld surface analysis of 4-{2,2-dichloro-1-[(<i>E</i>)-(4-chlorophenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","Acta Crystallographica Section E","2020","76","7","1033","1037","10.1107/S2056989020007549","","","0.71073","MoKα","","0.069","0.0412","","","0.0996","0.1154","","","","","","1.011","","","","has coordinates,has Fobs","253058","2020-10-21","18:00:00",""
"2243431","8.6313","0.0006","10.8378","0.0009","13.384","0.001","66.645","0.008","79.287","0.008","85.151","0.008","1129.3","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-{[4-(3-phenyl-4-sydnonylideneamino)-5-sulfanylidene-1<i>H</i>-1,2,4-triazol-3-yl]methyl}benzamide ethanol monosolvate","","- C21 H21 N7 O4 S -","- C21 H21 N7 O4 S -","- C42 H42 N14 O8 S2 -","2","1","WM5563","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kadambar, Anish Kumar; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher","Two <i>N</i>-{[4-(3-aryl-4-sydnonylideneamino)-5-sulfanylidene-1<i>H</i>-1,2,4-triazol-3-yl]methyl}benzamides as disordered ethanol monosolvates","Acta Crystallographica Section E","2020","76","7","1057","1061","10.1107/S2056989020007483","","","0.71073","MoKα","","0.0668","0.0402","","","0.1052","0.1156","","","","","","0.959","","","","has coordinates,has disorder,has Fobs","253059","2020-10-21","18:00:00",""
"2243432","8.5631","0.0005","11.1242","0.0008","13.5632","0.0009","70.244","0.006","76.086","0.007","84.058","0.006","1179.92","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-({4-[3-(4-Methylphenyl)-4-sydnonylideneamino]-5-sulfanylidene-1<i>H</i>-1,2,4-triazol-3-yl}methyl)benzamide ethanol monosolvate","","- C22 H23 N7 O4 S -","- C22 H23 N7 O4 S -","- C44 H46 N14 O8 S2 -","2","1","WM5563","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kadambar, Anish Kumar; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher","Two <i>N</i>-{[4-(3-aryl-4-sydnonylideneamino)-5-sulfanylidene-1<i>H</i>-1,2,4-triazol-3-yl]methyl}benzamides as disordered ethanol monosolvates","Acta Crystallographica Section E","2020","76","7","1057","1061","10.1107/S2056989020007483","","","0.71073","MoKα","","0.1177","0.0617","","","0.0997","0.1171","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","253059","2020-10-21","18:00:00",""
"2243433","7.1195","0.0004","12.3172","0.0006","19.859","0.0012","90","","91.16","0.005","90","","1741.12","0.17","296","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-succinato-κ^2^<i>O</i>^1^:<i>O</i>^4^] tetrahydrate]","","- C10 H28 Cu N2 O8 -","- C10 H28 Cu N2 O8 -","- C40 H112 Cu4 N8 O32 -","4","1","PK2626","Qadir, Adnan M.; Kansiz, Sevgi; Dege, Necmi; Rosair, Georgina M.; Iskenderov, Turganbay S.","Crystal structure and Hirshfeld surface analysis of one-dimensional copper(II) coordination polymer incorporating succinate and tetramethylethylenediamine ligands","Acta Crystallographica Section E","2020","76","7","1038","1041","10.1107/S2056989020007227","","","0.71073","MoKα","","0.0439","0.0338","","","0.0874","0.0914","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","253060","2020-10-21","18:00:00",""
"2243434","11.4312","0.0014","9.3013","0.001","18.737","0.003","90","","104.695","0.004","90","","1927","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 3-[(1-benzyl-4-phenyl-1<i>H</i>-1,2,3-triazol-5-yl)formamido]propanoate","","- C20 H20 N4 O3 -","- C20 H20 N4 O3 -","- C80 H80 N16 O12 -","4","1","HB7921","Caracelli, Ignez; Zukerman-Schpector, Julio; Kwong, Huey Chong; Tiekink, Edward R. T.","Methyl 3-[(1-benzyl-4-phenyl-1<i>H</i>-1,2,3-triazol-5-yl)formamido]propanoate: crystal structure, Hirshfeld surface analysis and computational chemistry","Acta Crystallographica Section E","2020","76","7","1051","1056","10.1107/S2056989020007380","","","0.71073","MoKα","","0.0975","0.0771","","","0.1918","0.2035","","","","","","1.084","","","","has coordinates,has Fobs","253061","2020-10-21","18:00:00",""
"2243435","13.0747","","10.9656","","7.5822","","90","","90","","90","","1087.07","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","phenol hemihydrate","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","0.5","","Fortes, A. Dominic","Phenol hemihydrate: redetermination of the crystal structure by neutron powder diffraction, Hirshfeld surface analysis and characterization of the thermal expansion","Acta Crystallographica Section E","2020","76","7","1062","1069","10.1107/S2056989020007719","","","","","","","","","","","","","","","","","","","","","has coordinates","253146","2020-10-21","18:00:00",""
"2243436","13.1334","","10.6781","","7.6125","","90","","90","","90","","1067.57","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","phenol hemihydrate","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","0.5","","Fortes, A. Dominic","Phenol hemihydrate: redetermination of the crystal structure by neutron powder diffraction, Hirshfeld surface analysis and characterization of the thermal expansion","Acta Crystallographica Section E","2020","76","7","1062","1069","10.1107/S2056989020007719","","","","","","","","","","","","","","","","","","","","","has coordinates","253146","2020-10-21","18:00:00",""
"2243437","12.9747","","10.5449","","7.48","","90","","90","","90","","1023.39","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","phenol hemihydrate","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","0.5","","Fortes, A. Dominic","Phenol hemihydrate: redetermination of the crystal structure by neutron powder diffraction, Hirshfeld surface analysis and characterization of the thermal expansion","Acta Crystallographica Section E","2020","76","7","1062","1069","10.1107/S2056989020007719","","","","","","","","","","","","","","","","","","","","","has coordinates","253146","2020-10-21","18:00:00",""
"2243438","15.9353","0.0009","10.3526","0.0006","14.8486","0.0009","90","","115.135","0.0006","90","","2217.7","0.2","173","2","173.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","4-Methyl-<i>N</i>-propylbenzenesulfonamide","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C80 H120 N8 O16 S8 -","8","2","WM5567","Stenfors, Brock A.; Collins, Rachel C.; Duran, Jonah R. J.; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N.","Crystal structure of 4-methyl-<i>N</i>-propylbenzenesulfonamide","Acta Crystallographica Section E","2020","76","7","1070","1074","10.1107/S2056989020007756","","","0.71073","MoKα","","0.0318","0.0308","","","0.0816","0.0828","","","","","","1.024","","","","has coordinates,has Fobs","253147","2020-10-21","18:00:00",""
"2243439","23.6396","0.0005","8.2906","0.0002","24.7683","0.0005","90","","110.013","0.001","90","","4561.13","0.18","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-Nitrobenzyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate","","- C23 H24 N2 O9 -","- C23 H24 N2 O9 -","- C184 H192 N16 O72 -","8","1","HB7923","Dallasta Pedroso, Sofia; Caracelli, Ignez; Zukerman-Schpector, Julio; Soto-Monsalve, Monica; De Almeida Santos, Regina H.; Correia, Carlos Roque D.; Llanes Garcia, Ariel L.; Kwong, Huey Chong; Tiekink, Edward R. T.","4-Nitrobenzyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate: crystal structure, Hirshfeld surface analysis and computational chemistry","Acta Crystallographica Section E","2020","76","7","1080","1086","10.1107/S2056989020007914","","","0.71073","MoKα","","0.0465","0.0409","","","0.1074","0.1123","","","","","","1.012","","","","has coordinates,has Fobs","253201","2020-10-21","18:00:00",""
"2243440","22.927","0.004","5.9315","0.0006","17.191","0.002","90","","97.734","0.012","90","","2316.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-{[(<i>E</i>)-4-(Heptyloxy)benzylidene]amino}-<i>N</i>-(naphthalen-2-yl)-1,3-thiazol-2-amine","","- C27 H28 N2 O S -","- C27 H28 N2 O S -","- C108 H112 N8 O4 S4 -","4","1","PK2631","Sheakh Mohamad, Ropak A.; Aziz, Hashim J.; Hamad, Wali M.","Crystal structure and Hirshfeld surface analysis of 4-{[(<i>E</i>)-4-(heptyloxy)benzylidene]amino}-<i>N</i>-(naphthalen-2-yl)-1,3-thiazol-2-amine","Acta Crystallographica Section E","2020","76","7","1092","1095","10.1107/S2056989020007951","","","0.71073","MoKα","","0.1222","0.0665","","","0.1321","0.155","","","","","","0.924","","","","has coordinates,has Fobs","253202","2020-10-21","18:00:00",""
"2243441","13.8433","0.001","7.0774","0.0006","6.2142","0.0005","90","","95.517","0.006","90","","606.01","0.08","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","(<i>E</i>)-4-Methyl-2-{[(4-methylphenyl)imino]methyl}phenol","","- C15 H15 N O -","- C15 H15 N O -","- C30 H30 N2 O2 -","2","1","TX2025","Yagci, Nermin Kahveci; Faizi, Md. Serajul Haque; Aydin, Alev Sema; Dege, Necmi; Dogan, Onur Erman; Agar, Erbil; Mashrai, Ashraf","Crystal structure, Hirshfeld surface analysis and DFT studies of (<i>E</i>)-4-methyl-2-{[(4-methylphenyl)imino]methyl}phenol","Acta Crystallographica Section E","2020","76","7","1075","1079","10.1107/S2056989020007847","","","0.71073","MoKα","","0.1139","0.0684","","","0.1781","0.1985","","","","","","1.052","","","","has coordinates,has Fobs","253203","2020-10-21","18:00:00",""
"2243442","8.5628","0.0012","9.6623","0.0013","9.9767","0.0012","112.534","0.014","94.744","0.015","97.999","0.016","746.6","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","2-[2-(Methoxycarbonyl)-3,6-bis(methoxymethoxy)phenyl]acetic acid","","- C14 H18 O8 -","- C14 H18 O8 -","- C28 H36 O16 -","2","1","","Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen","The crystal structure, Hirshfeld surface analysis and energy frameworks of 2-[2-(methoxycarbonyl)-3,6-bis(methoxymethoxy)phenyl]acetic acid","Acta Crystallographica Section E","2020","76","7","1101","1106","10.1107/S2056989020007987","","","0.71073","MoKα","","0.0789","0.0446","","","0.0989","0.1083","","","","","","0.832","","","","has coordinates,has Fobs","253289","2020-10-21","18:00:00",""
"2243443","10.26799","0.00006","18.26557","0.0001","21.67365","0.00012","90","","90","","90","","4064.91","0.04","293.15","","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(3,5-dinitrobenzoato)(ethane-1,2-diamine)zinc(II)","","- C16 H14 N6 O12 Zn -","- C16 H14 N6 O12 Zn -","- C128 H112 N48 O96 Zn8 -","8","1","YK2132","Ibragimov, Avazbek; Ashurov, Jamshid; Dusmatov, Aziz; Ibragimov, Aziz","Crystal structure and Hirshfeld surface analysis of the orthorhombic polymorph of a Zn^II^ complex with 3,5-dinitrobenzoic acid and ethylenediamine","Acta Crystallographica Section E","2020","76","7","1113","1116","10.1107/S2056989020007938","","x-ray","1.54184","CuKα","","0.0324","0.0316","","","0.0906","0.0912","","","","","","1.093","","","","has coordinates,has Fobs","253290","2020-10-21","18:00:00",""
"2243444","7.4958","0.0011","12.422","0.002","20.325","0.004","90","","90","","90","","1892.5","0.6","296.15","","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-[(Benzoyloxy)methyl]-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl benzoate","","- C21 H18 O7 -","- C21 H18 O7 -","- C84 H72 O28 -","4","1","VM2234","Leepasert, Theerachart; Saparpakorn, Patchreenart; Chainok, Kittipong; Duangthongyou, Tanwawan","Crystal structure of 5-[(benzoyloxy)methyl]-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl benzoate","Acta Crystallographica Section E","2020","76","7","1096","1100","10.1107/S2056989020007793","","","0.71073","MoKα","","0.0383","0.0319","","","0.0763","0.0823","","","","","","1.1025","","","","has coordinates,has Fobs","253291","2020-10-21","18:00:00",""
"2243445","9.5967","0.0015","9.6767","0.0015","10.8043","0.0017","114.162","0.005","109.93","0.005","90.917","0.006","846.3","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-{2,2-Dichloro-1-[(<i>E</i>)-2-(4-methylphenyl)diazen-1-yl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","","- C17 H17 Cl2 N3 -","- C17 H17 Cl2 N3 -","- C34 H34 Cl4 N6 -","2","1","","Özkaraca, Kadriye; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Suleymanova, Gulnar T.; Mammadova, Gunay Z.; Mlowe, Sixberth","Crystal structure and Hirshfeld surface analysis of 4-{2,2-dichloro-1-[(<i>E</i>)-2-(4-methylphenyl)diazen-1-yl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","Acta Crystallographica Section E","2020","76","7","1122","1125","10.1107/S2056989020007744","","","0.71073","MoKα","","0.0489","0.0407","","","0.1003","0.1086","","","","","","1.051","","","","has coordinates,has Fobs","253292","2020-10-21","18:00:00",""
"2243446","12.7875","0.0009","11.3732","0.0012","14.3637","0.0012","90","","90","","90","","2089","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6,8-Dimethoxy-3-methyl-1<i>H</i>-isochromem-1-one","","- C12 H12 O4 -","- C12 H12 O4 -","- C96 H96 O32 -","8","1","","Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen","Crystal structures and Hirshfeld surface analyses of 6,8-dimethoxy-3-methyl-1<i>H</i>-isochromen-1-one and 5-bromo-6,8-dimethoxy-3-methyl-1<i>H</i>-isochromen-1-one chloroform monosolvate","Acta Crystallographica Section E","2020","76","7","1107","1112","10.1107/S2056989020007975","","","0.71073","MoKα","","0.0835","0.0521","","","0.1055","0.1157","","","","","","1.054","","","","has coordinates,has Fobs","253293","2020-10-21","18:00:00",""
"2243447","11.7655","0.0009","20.464","0.0017","6.7332","0.0005","90","","90.161","0.009","90","","1621.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Bromo-6,8-dimethoxy-3-methyl-1<i>H</i>-isochromen-1-one chloroform monosolvate","","- C13 H12 Br Cl3 O4 -","- C13 H12 Br Cl3 O4 -","- C52 H48 Br4 Cl12 O16 -","4","1","","Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen","Crystal structures and Hirshfeld surface analyses of 6,8-dimethoxy-3-methyl-1<i>H</i>-isochromen-1-one and 5-bromo-6,8-dimethoxy-3-methyl-1<i>H</i>-isochromen-1-one chloroform monosolvate","Acta Crystallographica Section E","2020","76","7","1107","1112","10.1107/S2056989020007975","","","0.71073","MoKα","","0.0698","0.0398","","","0.0936","0.1003","","","","","","0.879","","","","has coordinates,has disorder,has Fobs","253293","2020-10-21","18:00:00",""
"2243448","6.4976","0.0005","9.5593","0.0012","13.1962","0.0011","80.576","0.005","82.312","0.003","86.288","0.005","800.55","0.14","298.65","","298.65","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H8 N2 S5 -","- C15 H8 N2 S5 -","- C30 H16 N4 S10 -","2","1","HB7924","Kafuta, Kevin; Golz, Christopher; Alcarazo, Manuel","Polymorphism of bis(1,3-benzothiazol-2-yl) trithiocarbonate","Acta Crystallographica Section E","2020","76","7","1126","1130","10.1107/S2056989020008105","","","0.71073","MoKα","","0.0412","0.0358","","","0.095","0.0994","","","","","","1.034","","","","has coordinates,has Fobs","253395","2020-10-21","18:00:00",""
"2243449","3.9458","0.0015","11.434","0.003","33.366","0.011","90","","90","","90","","1505.3","0.9","298.65","","298.65","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Bis(1,3-benzothiazol-2-yl) trithiocarbonate","","- C15 H8 N2 S5 -","- C15 H8 N2 S5 -","- C60 H32 N8 S20 -","4","0.5","HB7924","Kafuta, Kevin; Golz, Christopher; Alcarazo, Manuel","Polymorphism of bis(1,3-benzothiazol-2-yl) trithiocarbonate","Acta Crystallographica Section E","2020","76","7","1126","1130","10.1107/S2056989020008105","","","0.71073","MoKα","","0.0661","0.0505","","","0.1033","0.1097","","","","","","1.099","","","","has coordinates,has Fobs","253395","2020-10-21","18:00:00",""
"2243450","12.8022","0.0004","24.4556","0.0009","4.1459","0.0001","90","","90","","90","","1298.02","0.07","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-{[(4-Iodophenyl)imino]methyl}-4-nitrophenol","","- C13 H9 I N2 O3 -","- C13 H9 I N2 O3 -","- C52 H36 I4 N8 O12 -","4","1","PK2635","Faizi, Md. Serajul Haque; Alagöz, Tenzile; Ahmed, Ruby; Cinar, Emine Berrin; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf","Crystal structure and Hirshfeld surface analysis of 2-{[(4-iodophenyl)imino]methyl}-4-nitrophenol","Acta Crystallographica Section E","2020","76","7","1146","1149","10.1107/S2056989020008191","","","0.71073","MoKα","","0.0414","0.0373","","","0.0911","0.0938","","","","","","1.045","","","","has coordinates,has Fobs","253510","2020-10-21","18:00:00",""
"2243451","5.05866","0.00004","12.2617","0.0001","15.1009","0.0001","106.149","0.001","96.446","0.001","100.884","0.001","869.944","0.013","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,2'-(Disulfanediyl)dibenzoic acid <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C17 H17 N O5 S2 -","- C17 H17 N O5 S2 -","- C34 H34 N2 O10 S4 -","2","1","HB7925","Tan, Sang Loon; Tiekink, Edward R. T.","2,2'-(Disulfanediyl)dibenzoic acid <i>N</i>,<i>N</i>-dimethylformamide monosolvate: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2020","76","7","1150","1157","10.1107/S2056989020008257","","","1.54184","CuKα","","0.0264","0.0256","","","0.0714","0.072","","","","","","1.068","","","","has coordinates,has Fobs","253511","2020-10-21","18:00:00",""
"2243452","7.84","0.0016","6.34","0.0013","9.768","0.002","90","","107.32","0.03","90","","463.51","0.18","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","Posnjakite","Poly[[hexa-μ-hydroxido-tetracopper(II)] sulfate monohydrate]","","- Cu4 H8 O11 S -","- Cu4 H8 O11 S -","- Cu8 H16 O22 S2 -","2","1","TX2024","Mills, Stuart; Aishima, Jun; Aragao, David; Caradoc-Davies, Tom Tudor; Cowieson, Nathan; Gee, Christine L.; Ericsson, Daniel; Harrop, Stephen; Panjikar, Santosh; Smith, Kate Mary Louise; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Price, Jason Roy","Crystal structure of posnjakite formed in the first crystal water-cooling line of the ANSTO Melbourne Australian Synchrotron MX1 Double Crystal Monochromator","Acta Crystallographica Section E","2020","76","7","1136","1138","10.1107/S2056989020008099","","","0.71074","synchrotron","","0.0306","0.0288","","","0.0714","0.0738","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","253512","2020-10-21","18:00:00",""
"2243453","10.5916","0.0006","9.2081","0.0005","20.993","0.0012","90","","103.304","0.001","90","","1992.47","0.19","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","α-ethoxy-α-trifluoromethylphenylacetic acid'","3,3,3-Trifluoro-2-methoxy-2-phenylpropanoic acid","","- C10 H9 F3 O3 -","- C10 H9 F3 O3 -","- C80 H72 F24 O24 -","8","2","PK2638","Savich, Carolyn Z.; Tanski, Joseph M.","Crystallographic and spectroscopic characterization of racemic Mosher's Acid","Acta Crystallographica Section E","2020","76","7","1143","1145","10.1107/S2056989020008403","","","0.71073","MoKα","","0.056","0.0398","","","0.1043","0.1152","","","","","","1.023","","","","has coordinates,has Fobs","253513","2020-10-21","18:00:00",""
"2243454","11.663","0.0003","11.6691","0.0003","15.8892","0.0004","90","","103.077","0.0007","90","","2106.38","0.09","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>fac</i>-Bromidotricarbonyl(4'-phenyl-2,2':6',2''-terpyridine-κ^2^<i>N</i>,<i>N</i>')manganese(I)","","- C24 H15 Br Mn N3 O3 -","- C24 H15 Br Mn N3 O3 -","- C96 H60 Br4 Mn4 N12 O12 -","4","1","WM5569","Wadayama, Kosei; Takase, Tsugiko; Oyama, Dai","Selective synthesis and crystal structures of manganese(I) complexes with a bi- or tridentate terpyridine ligand","Acta Crystallographica Section E","2020","76","7","1139","1142","10.1107/S2056989020008178","","","0.71075","MoKα","","0.0409","0.0351","","","0.0885","0.0915","","","","","","1.061","","","","has coordinates,has Fobs","253514","2020-10-21","18:00:00",""
"2243455","10.497","0.003","14.123","0.005","13.504","0.004","90","","96.767","0.003","90","","1988","1.1","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-Bromidodicarbonyl(4'-phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i><i>,N</i>',<i>N</i>'')manganese(I)","","- C23 H15 Br Mn N3 O2 -","- C23 H15 Br Mn N3 O2 -","- C92 H60 Br4 Mn4 N12 O8 -","4","1","WM5569","Wadayama, Kosei; Takase, Tsugiko; Oyama, Dai","Selective synthesis and crystal structures of manganese(I) complexes with a bi- or tridentate terpyridine ligand","Acta Crystallographica Section E","2020","76","7","1139","1142","10.1107/S2056989020008178","","","0.71075","MoKα","","0.0519","0.0458","","","0.0939","0.096","","","","","","1.27","","","","has coordinates,has disorder,has Fobs","253514","2020-10-21","18:00:00",""
"2243456","17.1332","0.0013","7.4478","0.0005","11.0345","0.0008","90","","105.758","0.004","90","","1355.14","0.17","110","0.5","110","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(Ferrocenylcarbonyl)benzoic acid","","- C18 H14 Fe O3 -","- C18 H14 Fe O3 -","- C72 H56 Fe4 O12 -","4","1","ZL2783","Pokharel, Uttam R.; Bergeron, Jonathan T.; Fronczek, Frank R.","Synthesis and crystal structures of 2-(ferrocenylcarbonyl)benzoic acid and 3-ferrocenylphthalide","Acta Crystallographica Section E","2020","76","7","1163","1167","10.1107/S2056989020008452","","","0.71073","MoKα","","0.0469","0.0326","","","0.0764","0.0822","","","","","","1.041","","","","has coordinates,has Fobs","253604","2020-10-21","18:00:00",""
"2243457","35.4613","0.0011","5.6873","0.0002","13.1523","0.0004","90","","100.202","0.0016","90","","2610.61","0.15","110","0.5","110","0.5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-Ferrocenylphthalide","3-Ferrocenyl-2-benzofuran-1(3<i>H</i>)-one","","- C18 H14 Fe O2 -","- C18 H14 Fe O2 -","- C144 H112 Fe8 O16 -","8","1","","Pokharel, Uttam R.; Bergeron, Jonathan T.; Fronczek, Frank R.","Synthesis and crystal structures of 2-(ferrocenylcarbonyl)benzoic acid and 3-ferrocenylphthalide","Acta Crystallographica Section E","2020","76","7","1163","1167","10.1107/S2056989020008452","","","0.71073","MoKα","","0.0541","0.0467","","","0.1131","0.116","","","","","","1.178","","","","has coordinates,has Fobs","253604","2020-10-21","18:00:00",""
"2243458","9.286","0.001","11.4809","0.0008","12.6469","0.001","90","","90","","90","","1348.3","0.2","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Hydroxy-2,4-dimethyl-2<i>H</i>-thiophen-5-one","","- C6 H8 O2 S -","- C6 H8 O2 S -","- C48 H64 O16 S8 -","8","1","LH5954","Nashawi, Asma; Lawson, Christopher P.; Abdel-Sattar, M. Omar; ter Horst, Joop H.; Coxon, Geoffrey D.; Kennedy, Alan R.","Synthesis and crystal structures of 3-hydroxy-2,4-dimethyl-2<i>H</i>-thiophen-5-one and 3-hydroxy-4-methyl-2<i>H</i>-thiophen-5-one","Acta Crystallographica Section E","2020","76","7","1158","1162","10.1107/S2056989020008269","","","1.54184","CuKα","","0.0621","0.0531","","","0.1371","0.1482","","","","","","1.071","","","","has coordinates,has Fobs","253605","2020-10-21","18:00:00",""
"2243459","4.1054","0.0003","22.9727","0.0013","6.1928","0.0005","90","","103.728","0.007","90","","567.37","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Hydroxy-4-methyl-2<i>H</i>-thiophen-5-one","","- C5 H6 O2 S -","- C5 H6 O2 S -","- C20 H24 O8 S4 -","4","1","LH5954","Nashawi, Asma; Lawson, Christopher P.; Abdel-Sattar, M. Omar; ter Horst, Joop H.; Coxon, Geoffrey D.; Kennedy, Alan R.","Synthesis and crystal structures of 3-hydroxy-2,4-dimethyl-2<i>H</i>-thiophen-5-one and 3-hydroxy-4-methyl-2<i>H</i>-thiophen-5-one","Acta Crystallographica Section E","2020","76","7","1158","1162","10.1107/S2056989020008269","","","0.71073","MoKα","","0.056","0.05","","","0.109","0.1132","","","","","","1.192","","","","has coordinates,has Fobs","253605","2020-10-21","18:00:00",""
"2243460","8.4867","0.0006","29.764","0.002","10.6334","0.0008","90","","94.381","0.001","90","","2678.1","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Methyl-4-(2-methyl-10<i>H</i>-benzo[<i>b</i>]thieno[2,3-<i>e</i>][1,4]diazepin-4-yl)piperazin-1-ium 2,5-dihydroxybenzoate propan-2-ol monosolvate","","- C27 H34 N4 O5 S -","- C27 H34 N4 O5 S -","- C108 H136 N16 O20 S4 -","4","1","MW2162","Natchimuthu, V.; Sharmila, N.; Ravi, S.","Crystal structure and Hirshfeld surface analysis of 1-methyl-4-(2-methyl-10<i>H</i>-benzo[<i>b</i>]thieno[2,3-<i>e</i>][1,4]diazepin-4-yl)piperazin-1-ium 2,5-dihydroxybenzoate propan-2-ol monosolvate","Acta Crystallographica Section E","2020","76","7","1168","1172","10.1107/S205698902000818X","","","0.71073","MoKα","","0.0769","0.0692","","","0.1398","0.1431","","","","","","1.313","","","","has coordinates,has Fobs","253606","2020-10-21","18:00:00",""
"2243461","18.6879","0.0016","9.4736","0.0008","24.283","0.002","90","","90","","90","","4299.1","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(4-Fluorophenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","- C25 H24 F N O5 -","- C25 H24 F N O5 -","- C200 H192 F8 N8 O40 -","8","1","ZL2789","Twamley, Brendan; O'Boyle, Niamh M.; Meegan, Mary J.","Azetidin-2-ones: structures of antimitotic compounds based on the 1-(3,4,5-trimethoxyphenyl)azetidin-2-one core","Acta Crystallographica Section E","2020","76","8","1187","1194","10.1107/S2056989020008555","","x-ray","0.71073","MoKα","","0.1145","0.0535","","","0.1028","0.1229","","","","","","1.007","","","","has coordinates,has Fobs","253756","2020-10-21","18:00:00",""
"2243462","19.794","0.002","9.1396","0.0009","23.161","0.002","90","","101.071","0.0018","90","","4112.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(Furan-2-yl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","- C23 H23 N O6 -","- C23 H23 N O6 -","- C184 H184 N8 O48 -","8","2","ZL2789","Twamley, Brendan; O'Boyle, Niamh M.; Meegan, Mary J.","Azetidin-2-ones: structures of antimitotic compounds based on the 1-(3,4,5-trimethoxyphenyl)azetidin-2-one core","Acta Crystallographica Section E","2020","76","8","1187","1194","10.1107/S2056989020008555","","x-ray","0.71073","MoKα","","0.0852","0.0562","","","0.103","0.1119","","","","","","1.079","","","","has coordinates,has Fobs","253756","2020-10-21","18:00:00",""
"2243463","10.4633","0.0006","11.318","0.0006","11.6008","0.0006","104.628","0.003","99.056","0.004","112.929","0.003","1172.73","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4-(4-Methoxyphenyl)-3-(naphthalen-1-yl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","- C29 H27 N O5 -","- C29 H27 N O5 -","- C58 H54 N2 O10 -","2","1","ZL2789","Twamley, Brendan; O'Boyle, Niamh M.; Meegan, Mary J.","Azetidin-2-ones: structures of antimitotic compounds based on the 1-(3,4,5-trimethoxyphenyl)azetidin-2-one core","Acta Crystallographica Section E","2020","76","8","1187","1194","10.1107/S2056989020008555","","x-ray","1.54178","CuKα","","0.0724","0.0598","","","0.176","0.188","","","","","","1.094","","","","has coordinates,has Fobs","253756","2020-10-21","18:00:00",""
"2243464","8.858","0.002","22.769","0.005","12.822","0.002","90","","109.839","0.006","90","","2432.6","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3,4-Dimethoxyphenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","- C27 H29 N O7 -","- C27 H29 N O7 -","- C108 H116 N4 O28 -","4","1","ZL2789","Twamley, Brendan; O'Boyle, Niamh M.; Meegan, Mary J.","Azetidin-2-ones: structures of antimitotic compounds based on the 1-(3,4,5-trimethoxyphenyl)azetidin-2-one core","Acta Crystallographica Section E","2020","76","8","1187","1194","10.1107/S2056989020008555","","x-ray","0.71073","MoKα","","0.0731","0.0445","","","0.0931","0.1059","","","","","","1.03","","","","has coordinates,has Fobs","253756","2020-10-21","18:00:00",""
"2243465","11.572","0.0003","12.3994","0.0003","19.9358","0.0006","83.779","0.001","85.748","0.001","71.559","0.001","2695.23","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4,4-Bis(4-methoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","- C32 H31 N O6 -","- C32 H31 N O6 -","- C128 H124 N4 O24 -","4","2","ZL2789","Twamley, Brendan; O'Boyle, Niamh M.; Meegan, Mary J.","Azetidin-2-ones: structures of antimitotic compounds based on the 1-(3,4,5-trimethoxyphenyl)azetidin-2-one core","Acta Crystallographica Section E","2020","76","8","1187","1194","10.1107/S2056989020008555","","x-ray","1.54178","CuKα","","0.0521","0.0454","","","0.1303","0.1371","","","","","","1.091","","","","has coordinates,has Fobs","253756","2020-10-21","18:00:00",""
"2243466","7.4839","0.0008","14.1752","0.0014","9.6461","0.001","90","","110.537","0.003","90","","958.28","0.17","297","2","297.15","","","","","","","","","4","P 1 21 1","P 2yb","4","<i>N</i>-Ethyl-<i>N</i>-propyltryptammonium hydrofumarate","[2-(1<i>H</i>-Indol-3-yl)ethyl](methyl)propylazanium 3-carboxyprop-2-enoate","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C38 H52 N4 O8 -","2","1","DX2028","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","DMT analogues: <i>N</i>-ethyl-<i>N</i>-propyltryptamine and <i>N</i>-allyl-<i>N</i>-methytryptamine as their hydrofumarate salts","Acta Crystallographica Section E","2020","76","8","1201","1205","10.1107/S2056989020008683","","","0.71073","MoKα","","0.0365","0.0339","","","0.0899","0.0929","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","253757","2020-10-21","18:00:00",""
"2243467","7.9845","0.0007","8.5641","0.0006","25.649","0.002","90","","90","","90","","1753.9","0.2","297","2","297.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>N</i>-Allyl-<i>N</i>-methyltryptammonium (MALT) hydrofumarate","[2-(1<i>H</i>-Indol-3-yl)ethyl](methyl)(prop-2-en-1-yl)azanium 3-carboxyprop-2-enoate","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","1","","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","DMT analogues: <i>N</i>-ethyl-<i>N</i>-propyltryptamine and <i>N</i>-allyl-<i>N</i>-methytryptamine as their hydrofumarate salts","Acta Crystallographica Section E","2020","76","8","1201","1205","10.1107/S2056989020008683","","","0.71073","MoKα","","0.058","0.053","","","0.1427","0.1466","","","","","","1.104","","","","has coordinates,has Fobs","253757","2020-10-21","18:00:00",""
"2243468","6.5873","0.0005","7.6616","0.0006","17.3399","0.0009","97.842","0.006","90.378","0.006","95.54","0.006","862.72","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Fluorophenyl)piperazin-1-ium 2-fluorobenzoate monohydrate","","- C17 H20 F2 N2 O3 -","- C17 H20 F2 N2 O3 -","- C34 H40 F4 N4 O6 -","2","1","HB7928","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kavitha, Channappa N.; Foro, Sabine; Glidewell, Christopher","The crystal structures of salts of <i>N</i>-(4-fluorophenyl)piperazine with four aromatic carboxylic acids and with picric acid","Acta Crystallographica Section E","2020","76","8","1179","1186","10.1107/S2056989020008749","","","0.71073","MoKα","","0.074","0.0446","","","0.1094","0.123","","","","","","1.013","","","","has coordinates,has Fobs","253759","2020-10-21","18:00:00",""
"2243469","7.2584","0.0008","9.347","0.001","13.767","0.002","101.14","0.01","95.98","0.01","109.44","0.01","849.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-(4-Fluorophenyl)piperazin-1-ium 2-bromobenzoate 0.353-hydrate","","- C17 H18.71 Br F N2 O2.35 -","- C17 H18.706 Br F N2 O2.353 -","- C34 H37.412 Br2 F2 N4 O4.706 -","2","1","HB7928","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kavitha, Channappa N.; Foro, Sabine; Glidewell, Christopher","The crystal structures of salts of <i>N</i>-(4-fluorophenyl)piperazine with four aromatic carboxylic acids and with picric acid","Acta Crystallographica Section E","2020","76","8","1179","1186","10.1107/S2056989020008749","","","0.71073","MoKα","","0.0564","0.0427","","","0.1182","0.1242","","","","","","1.102","","","","has coordinates,has Fobs","253759","2020-10-21","18:00:00",""
"2243470","9.8892","0.0003","11.6831","0.0007","16.4547","0.0009","106.776","0.005","93.327","0.004","104.874","0.004","1741.19","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-(4-Fluorophenyl)piperazin-1-ium 2-iodobenzoate","","- C17 H18 F I N2 O2 -","- C17 H18 F I N2 O2 -","- C68 H72 F4 I4 N8 O8 -","4","2","HB7928","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kavitha, Channappa N.; Foro, Sabine; Glidewell, Christopher","The crystal structures of salts of <i>N</i>-(4-fluorophenyl)piperazine with four aromatic carboxylic acids and with picric acid","Acta Crystallographica Section E","2020","76","8","1179","1186","10.1107/S2056989020008749","","","0.71073","MoKα","","0.0589","0.0466","","","0.1195","0.1269","","","","","","1.055","","","","has coordinates,has Fobs","253759","2020-10-21","18:00:00",""
"2243471","16.658","0.002","6.6734","0.0006","17.553","0.003","90","","117.84","0.02","90","","1725.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-Fluorophenyl)piperazin-1-ium 2,4,6-trinitrophenolate","","- C16 H16 F N5 O7 -","- C16 H16 F N5 O7 -","- C64 H64 F4 N20 O28 -","4","1","HB7928","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kavitha, Channappa N.; Foro, Sabine; Glidewell, Christopher","The crystal structures of salts of <i>N</i>-(4-fluorophenyl)piperazine with four aromatic carboxylic acids and with picric acid","Acta Crystallographica Section E","2020","76","8","1179","1186","10.1107/S2056989020008749","","","0.71073","MoKα","","0.0609","0.045","","","0.1246","0.1357","","","","","","1.054","","","","has coordinates,has Fobs","253759","2020-10-21","18:00:00",""
"2243472","19.871","0.001","7.342","0.0007","26.306","0.002","90","","94.54","0.008","90","","3825.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-Fluorophenyl)piperazin-1-ium 3,5-dinitrobenzoate","","- C17 H17 F N4 O6 -","- C17 H17 F N4 O6 -","- C136 H136 F8 N32 O48 -","8","1","HB7928","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kavitha, Channappa N.; Foro, Sabine; Glidewell, Christopher","The crystal structures of salts of <i>N</i>-(4-fluorophenyl)piperazine with four aromatic carboxylic acids and with picric acid","Acta Crystallographica Section E","2020","76","8","1179","1186","10.1107/S2056989020008749","","","0.71073","MoKα","","0.1016","0.0561","","","0.1208","0.1435","","","","","","1.068","","","","has coordinates,has Fobs","253759","2020-10-21","18:00:00",""
"2243473","7.8139","0.0003","27.047","0.001","11.7683","0.0005","90","","90","","90","","2487.14","0.17","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[(2-Hydroxy-5-methylbenzylidene)amino]benzonitrile","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C120 H96 N16 O8 -","8","1","ZL2787","Faizi, Md. Serajul Haque; Cinar, Emine Berrin; Aydin, Alev Sema; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf","Crystal structure, Hirshfeld surface analysis and DFT studies of 2-[(2-hydroxy-5-methylbenzylidene)amino]benzonitrile","Acta Crystallographica Section E","2020","76","8","1195","1200","10.1107/S2056989020008907","","","0.71073","MoKα","","0.064","0.0377","","","0.0933","0.103","","","","","","1.036","","","","has coordinates,has Fobs","253760","2020-10-21","18:00:00",""
"2243474","23.1774","0.001","15.4767","0.0007","26.0442","0.0013","90","","113.168","0.0018","90","","8588.9","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,3-Dimethoxy-<i>meso</i>-tetrakis(pentafluorophenyl)morpholinochlorin methylene chloride 0.44-solvate","","- C46.44 H16.88 Cl0.88 F20 N4 O3 -","- C46.44 H16.88 Cl0.88 F20 N4 O3 -","- C371.52 H135.04 Cl7.04 F160 N32 O24 -","8","1","IS5543","Churchill, Serena B. S.; Sharma, Meenakshi; Brückner, Christian; Zeller, Matthias","Crystal structure of 2,3-dimethoxy-<i>meso</i>-tetrakis(pentafluorophenyl)morpholinochlorin methylene chloride 0.44-solvate","Acta Crystallographica Section E","2020","76","8","1222","1228","10.1107/S2056989020009093","","","0.71073","MoKα","","0.1016","0.058","","","0.1415","0.1644","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","254110","2020-10-21","18:00:00",""
"2243475","10.1911","0.0004","10.7274","0.0006","11.7692","0.0006","98.55","0.005","105.632","0.004","111.015","0.004","1112.76","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 6-(4-methoxyphenyl)-1-methyl-4-methylsulfanyl-3-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate","","- C24 H23 N3 O3 S -","- C24 H23 N3 O3 S -","- C48 H46 N6 O6 S2 -","2","1","DX2029","Surya Prakash Rao, H.; Gunasundari, Ramalingam; Muthukumaran, Jayaraman","Crystal structure analysis of ethyl 6-(4-methoxyphenyl)-1-methyl-4-methylsulfanyl-3-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate","Acta Crystallographica Section E","2020","76","8","1209","1212","10.1107/S2056989020008841","","","0.71073","MoKα","","0.0713","0.048","","","0.1452","0.1684","","","","","","1.064","","","","has coordinates,has Fobs","254111","2020-10-21","18:00:00",""
"2243476","5.0472","0.0004","9.3118","0.0007","13.9581","0.0015","90","","99.708","0.008","90","","646.62","0.1","295","1","295","1","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-[(1<i>S</i>)-1-Phenylethyl]benzamide","","- C15 H15 N O -","- C15 H15 N O -","- C30 H30 N2 O2 -","2","1","YK2134","Flores Manuel, Fermin; Sosa Rivadeneyra, Martha; Bernès, Sylvain","One molecule, three crystal structures: conformational trimorphism of <i>N</i>-[(1<i>S</i>)-1-phenylethyl]benzamide","Acta Crystallographica Section E","2020","76","8","1229","1233","10.1107/S2056989020008877","","x-ray","0.56083","AgKα","","0.0857","0.0429","","","0.0911","0.1021","","","","","","0.836","","","","has coordinates,has Fobs","254112","2020-10-21","18:00:00",""
"2243477","8.3496","0.0006","5.2632","0.0002","14.2969","0.001","90","","99.8","0.006","90","","619.12","0.07","295","1","295","1","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-[(1<i>S</i>)-1-Phenylethyl]benzamide","","- C15 H15 N O -","- C15 H15 N O -","- C30 H30 N2 O2 -","2","1","YK2134","Flores Manuel, Fermin; Sosa Rivadeneyra, Martha; Bernès, Sylvain","One molecule, three crystal structures: conformational trimorphism of <i>N</i>-[(1<i>S</i>)-1-phenylethyl]benzamide","Acta Crystallographica Section E","2020","76","8","1229","1233","10.1107/S2056989020008877","","x-ray","0.56083","AgKα","","0.0519","0.0355","","","0.0834","0.0899","","","","","","0.942","","","","has coordinates,has Fobs","254112","2020-10-21","18:00:00",""
"2243478","5.2133","0.0003","18.3625","0.0012","26.0799","0.0019","90","","90","","90","","2496.6","0.3","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[(1<i>S</i>)-1-Phenylethyl]benzamide","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","2","YK2134","Flores Manuel, Fermin; Sosa Rivadeneyra, Martha; Bernès, Sylvain","One molecule, three crystal structures: conformational trimorphism of <i>N</i>-[(1<i>S</i>)-1-phenylethyl]benzamide","Acta Crystallographica Section E","2020","76","8","1229","1233","10.1107/S2056989020008877","","x-ray","0.56083","AgKα","","0.1218","0.0383","","","0.0661","0.08","","","","","","0.742","","","","has coordinates,has Fobs","254112","2020-10-21","18:00:00",""
"2243479","14.3622","0.0011","16.5258","0.0011","16.8246","0.0012","90","","92.347","0.003","90","","3989.9","0.5","150","2","150","2","","","","","","","","7","P 1 n 1","P -2yac","7","","Tetra-μ-aqua-tetrakis{2-[azanidylene(oxido)methyl]phenolato}tetrakis(μ~2~-3-hydroxybenzoato)dysprosium(III)tetramanganese(III)sodium(I) <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate","","- C68 H72 Dy Mn4 N8 Na O32 -","- C68 H72 Dy Mn4 N8 Na O32 -","- C136 H144 Dy2 Mn8 N16 Na2 O64 -","2","1","PK2637","Manickas, Elizabeth C.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structures of two heterotrimetallic dysprosium‒manganese‒sodium 12-metallacrown-4 complexes with the bridging ligands 3-hydroxybenzoate and 4-hydroxybenzoate","Acta Crystallographica Section E","2020","76","8","1213","1221","10.1107/S2056989020008853","","","0.71073","MoKα","","0.11","0.0733","","","0.1916","0.219","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","254113","2020-10-21","18:00:00",""
"2243480","19.9869","0.0009","19.9869","0.0009","13.957","0.0011","90","","90","","90","","5575.5","0.6","150","2","150","2","","","","","","","","7","P 4/n :2","-P 4a","85","","Tetra-μ-aqua-tetrakis{2-[azanidylene(oxido)methyl]phenolato}tetrakis(μ~2~-3-hydroxybenzoato)dysprosium(III)tetramanganese(III)sodium(I) <i>N</i>,<i>N</i>-dimethylacetamide decasolvate","","- C96 H134 Dy Mn4 N14 Na O38 -","- C96 H134 Dy Mn4 N14 Na O38 -","- C192 H268 Dy2 Mn8 N28 Na2 O76 -","2","0.25","PK2637","Manickas, Elizabeth C.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structures of two heterotrimetallic dysprosium‒manganese‒sodium 12-metallacrown-4 complexes with the bridging ligands 3-hydroxybenzoate and 4-hydroxybenzoate","Acta Crystallographica Section E","2020","76","8","1213","1221","10.1107/S2056989020008853","","","0.71073","MoKα","","0.0642","0.0505","","","0.1361","0.1514","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","254113","2020-10-21","18:00:00",""
"2243481","17.1798","0.0006","8.7991","0.0002","18.7608","0.0007","90","","99.711","0.003","90","","2795.37","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{(3,5-dimethylpyrazol-1-yl)dihydro[3-(pyridin-2-yl)pyrazol-1-yl]borato}iron(II)","","- C26 H30 B2 Fe N10 -","- C26 H30 B2 Fe N10 -","- C104 H120 B8 Fe4 N40 -","4","1","WM5574","Ossinger, Sascha; Näther, Christian; Tuczek, Felix","Crystal structure of bis{(3,5-dimethylpyrazol-1-yl)dihydro[3-(pyridin-2-yl)pyrazol-1-yl]borato}iron(II)","Acta Crystallographica Section E","2020","76","8","1266","1270","10.1107/S2056989020009214","","","0.71073","MoKα","","0.0439","0.034","","","0.0861","0.0906","","","","","","1.042","","","","has coordinates,has Fobs","254200","2020-10-21","18:00:00",""
"2243482","15.4653","0.0004","7.9639","0.0002","24.8116","0.0007","90","","90","","90","","3055.9","0.14","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-[(1<i>E</i>)-[(<i>Z</i>)-2-({[(1<i>Z</i>)-[(<i>E</i>)-2-[(2-Hydroxyphenyl)methylidene]hydrazin-1-ylidene]({[(4-methylphenyl)methyl]sulfanyl})methyl]disulfanyl}({[(4-methylphenyl)methyl]sulfanyl})methylidene)hydrazin-1-ylidene]methyl]phenol","","- C32 H30 N4 O2 S4 -","- C32 H30 N4 O2 S4 -","- C128 H120 N16 O8 S16 -","4","0.5","HB7929","Paulus, Georgiana; Kwong, Huey Chong; Crouse, Karen A.; Tiekink, Edward R. T.","2-[(1<i>E</i>)-[(<i>Z</i>)-2-({[(1<i>Z</i>)-[(<i>E</i>)-2-[(2-Hydroxyphenyl)methylidene]hydrazin-1-ylidene]({[(4-methylphenyl)methyl]sulfanyl})methyl]disulfanyl}({[(4-methylphenyl)methyl]sulfanyl})methylidene)hydrazin-1-ylidene]methyl]phenol: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2020","76","8","1245","1250","10.1107/S2056989020008762","","","1.54178","CuKα","","0.0413","0.0377","","","0.0989","0.1022","","","","","","1.039","","","","has coordinates,has Fobs","254201","2020-10-21","18:00:00",""
"2243483","8.1035","0.0004","9.1965","0.0005","12.3665","0.0007","102.421","0.002","95.88","0.002","91.105","0.002","894.48","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-4-{2,2-Dichloro-1-[(3,5-dimethylphenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","","- C18 H19 Cl2 N3 -","- C18 H19 Cl2 N3 -","- C36 H38 Cl4 N6 -","2","1","HB7912","Özkaraca, Kadriye; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Suleymanova, Gulnar T.; Mammadova, Gunay Z.; Shadrack, Daniel M.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-4-{2,2-dichloro-1-[(3,5-dimethylphenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","Acta Crystallographica Section E","2020","76","8","1251","1254","10.1107/S2056989020009202","","","0.71073","MoKα","","0.055","0.0449","","","0.114","0.1249","","","","","","1.032","","","","has coordinates,has Fobs","254202","2020-10-21","18:00:00",""
"2243484","8.1488","0.0011","11.2243","0.0015","12.6378","0.0017","64.049","0.002","74.184","0.002","86.067","0.002","998.3","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","6-Bromo-3-(5-bromohexyl)-2-[4-(dimethylamino)phenyl]-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C20 H24 Br2 N4 -","- C20 H24 Br2 N4 -","- C40 H48 Br4 N8 -","2","1","WM5570","Jabri, Zainab; Sebbar, Nada Kheira; Hökelek, Tuncer; Mague, Joel T.; Sabir, Safia; Rodi, Youssef Kandri; Misbahi, Khalid","Crystal structure, Hirshfeld surface analysis and DFT study of 6-bromo-3-(5-bromohexyl)-2-[4-(dimethylamino)phenyl]-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","Acta Crystallographica Section E","2020","76","8","1234","1238","10.1107/S2056989020008889","","","0.71073","MoKα","","0.0594","0.0458","","","0.1324","0.1396","","","","","","1.12","","","","has coordinates,has Fobs","254203","2020-10-21","18:00:00",""
"2243485","40.843","0.002","6.9072","0.0004","8.0031","0.0004","90","","91.891","0.002","90","","2256.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[diaquabis(<i>N</i>-benzoylglycinato)cobalt(II)]-μ-aqua] dihydrate]","","- C18 H26 Co N2 O11 -","- C18 H26 Co N2 O11 -","- C72 H104 Co4 N8 O44 -","4","0.5","EX2034","Narvekar, Kedar U.; Srinivasan, Bikshandarkoil R.","Crystal structures of two isostructural bivalent metal <i>N</i>-benzoylglycinates","Acta Crystallographica Section E","2020","76","8","1260","1265","10.1107/S2056989020009287","","","0.71073","MoKα","","0.0641","0.0366","","","0.0702","0.086","","","","","","1.082","","","","has coordinates,has Fobs","254204","2020-10-21","18:00:00",""
"2243486","40.884","0.004","6.9438","0.0008","7.8983","0.0008","90","","91.9","0.002","90","","2241","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[diaquabis(<i>N</i>-benzoylglycinato)nickel(II)]-μ-aqua] dihydrate]","","- C18 H26 N2 Ni O11 -","- C18 H26 N2 Ni O11 -","- C72 H104 N8 Ni4 O44 -","4","0.5","","Narvekar, Kedar U.; Srinivasan, Bikshandarkoil R.","Crystal structures of two isostructural bivalent metal <i>N</i>-benzoylglycinates","Acta Crystallographica Section E","2020","76","8","1260","1265","10.1107/S2056989020009287","","","0.71073","MoKα","","0.0631","0.0562","","","0.1472","0.1511","","","","","","1.15","","","","has coordinates,has Fobs","254204","2020-10-21","18:00:00",""
"2243487","10.2778","0.0007","11.4064","0.0011","17.5586","0.0015","90","","90","","90","","2058.4","0.3","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","6,6'-[(Cyclohexylazanediyl)bis(methylene)]bis(2,4-dimethylphenol)","","- C24 H33 N O2 -","- C24 H33 N O2 -","- C96 H132 N4 O8 -","4","1","HB7926","Wannapaiboon, Suttipong; Hanlumyuang, Yuranan; Chansaenpak, Kantapat; Pinyou, Piyanut; Veranitisagul, Chatchai; Laobuthee, Apirat; Wattanathana, Worawat","Crystal structure and Hirshfeld surface analysis of the product of the ring-opening reaction of a dihydrobenzoxazine: 6,6'-[(cyclohexylazanediyl)bis(methylene)]bis(2,4-dimethylphenol)","Acta Crystallographica Section E","2020","76","8","1239","1244","10.1107/S2056989020009184","","","0.71073","MoKα","","0.067","0.0526","","","0.1295","0.139","","","","","","1.037","","","","has coordinates,has Fobs","254205","2020-10-21","18:00:00",""
"2243488","8.7077","0.0008","10.4281","0.001","12.1329","0.0011","101.111","0.007","92.087","0.007","113.161","0.008","986.22","0.17","173","","173","","","","","","","","","5","P -1","-P 1","2","","7,7'-[(pyridin-2-yl)methylene]bis(5-chloroquinolin-8-ol)","","- C24 H15 Cl2 N3 O2 -","- C24 H15 Cl2 N3 O2 -","- C48 H30 Cl4 N6 O4 -","2","1","IS5545","Kashiwagi, Yukiyasu; Kubono, Koji; Tamai, Toshiyuki","Crystal structure of 7,7'-[(pyridin-2-yl)methylene]bis(5-chloroquinolin-8-ol)","Acta Crystallographica Section E","2020","76","8","1271","1274","10.1107/S2056989020009317","","","0.71075","MoKα","","0.0686","0.0498","","","0.1096","0.1194","","","","","","1.072","","","","has coordinates,has Fobs","254305","2020-10-21","18:00:00",""
"2243489","6.0376","0.0005","8.6293","0.0007","15.5903","0.0012","92.315","0.001","99.589","0.001","90.657","0.001","800.12","0.11","100","0.2","100","2","","","","","","","","5","P -1","-P 1","2","silver 3-sulfobenzoic acid","Silver(I) 3-carboxybenzenesulfonate","","- C7 H5 Ag O5 S -","- C7 H5 Ag O5 S -","- C28 H20 Ag4 O20 S4 -","4","2","MW2166","Bettinger, Reuben T.; Squattrito, Philip J.; Aulakh, Darpandeep","The low-temperature triclinic crystal structure of silver 3-sulfobenzoic acid","Acta Crystallographica Section E","2020","76","8","1275","1278","10.1107/S2056989020009408","","","0.71073","MoKα","","0.0282","0.0226","","","0.0548","0.0573","","","","","","1.024","","","","has coordinates,has Fobs","254306","2020-10-21","18:00:00",""
"2243490","11.5556","0.0011","11.0774","0.0013","14.6105","0.0017","90","","93.794","0.004","90","","1866.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Hexaaquanickel(II) bis[triaqua-μ~3~-oxalato-di-μ-oxalato-bariumchromate(III)] tetrahydrate","","- C12 H32 Ba2 Cr2 Ni O40 -","- C12 H32 Ba2 Cr2 Ni O40 -","- C24 H64 Ba4 Cr4 Ni2 O80 -","2","0.5","WM5572","Mbiangué, Yves Alain; Ndinga, Manelsa Lande; Nduga, Jean Pierre; Wenger, Emmanuel; Lecomte, Claude","Hexaaquanickel(II) bis[triaqua-μ~3~-oxalato-di-μ-oxalato-bariumchromate(III)] tetrahydrate","Acta Crystallographica Section E","2020","76","8","1316","1319","10.1107/S2056989020009536","","","0.71073","MoKα","","0.0393","0.0263","","","0.0537","0.0577","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","254388","2020-10-21","18:00:00",""
"2243491","7.0695","0.0004","10.8321","0.0005","14.4349","0.0006","90","","101.556","0.003","90","","1082.98","0.09","219","2","219","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4,6-Trimethylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione monohydrate","","- C11 H14 N2 O3 -","- C11 H14 N2 O3 -","- C44 H56 N8 O12 -","4","1","YK2133","Zouitini, Ayman; Faizi, Md. Serajul Haque; Ouzidan, Younes; Ouazzani Chahdi, Fouad; Marrot, Jérôme; Prim, Damien; Dege, Necmi; Mashrai, Ashraf","Synthesis, crystal structure at 219K and Hirshfeld surface analyses of 1,4,6-trimethylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione monohydrate","Acta Crystallographica Section E","2020","76","8","1296","1301","10.1107/S2056989020009573","","","0.71073","MoKα","","0.0802","0.067","","","0.1419","0.1473","","","","","","1.243","","","","has coordinates,has disorder,has Fobs","254389","2020-10-21","18:00:00",""
"2243492","12.49907","0.00016","6.41302","0.00008","17.8772","0.0002","90","","99.8083","0.0006","90","","1412.03","0.03","173","2","172.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-Bromophenyl)-4-azatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-ene-3,5-dione","","- C17 H14 Br N O2 -","- C17 H14 Br N O2 -","- C68 H56 Br4 N4 O8 -","4","1","HB7931","Hulsman, Andrew; Lorenzana, Isabel; Schultz, Theodore; Squires, Breezy; Stenfors, Brock A.; Tolonen, Mason; Staples, Richard J.; Biros, Shannon M.; Winchester, William R.","Syntheses and crystal structures of the anhydride 4-oxatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-ene-3,5-dione and the related imide 4-(4-bromophenyl)-4-azatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-ene-3,5-dione","Acta Crystallographica Section E","2020","76","8","1311","1315","10.1107/S2056989020009512","","","1.54178","CuKα","","0.0298","0.0271","","","0.07","0.0719","","","","","","1.037","","","","has coordinates,has Fobs","254390","2020-10-21","18:00:00",""
"2243493","11.3538","0.0003","7.4062","0.0002","20.5398","0.0005","90","","92.6226","0.0015","90","","1725.35","0.08","173","2","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-Oxatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-ene-3,5-dione","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","2","HB7931","Hulsman, Andrew; Lorenzana, Isabel; Schultz, Theodore; Squires, Breezy; Stenfors, Brock A.; Tolonen, Mason; Staples, Richard J.; Biros, Shannon M.; Winchester, William R.","Syntheses and crystal structures of the anhydride 4-oxatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-ene-3,5-dione and the related imide 4-(4-bromophenyl)-4-azatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-ene-3,5-dione","Acta Crystallographica Section E","2020","76","8","1311","1315","10.1107/S2056989020009512","","","1.54178","CuKα","","0.0482","0.0452","","","0.1136","0.1163","","","","","","1.059","","","","has coordinates,has Fobs","254390","2020-10-21","18:00:00",""
"2243494","8.9311","0.0003","17.2458","0.0006","15.6857","0.0005","90","","99.361","0.003","90","","2383.8","0.14","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[(<i>Z</i>)-<i>N</i>-(3-Fluorophenyl)-<i>O</i>-methylthiocarbamato-κ<i>S</i>](triphenylphosphane-κ<i>P</i>)gold(I)","","- C26 H22 Au F N O P S -","- C26 H22 Au F N O P S -","- C104 H88 Au4 F4 N4 O4 P4 S4 -","4","1","HB7932","Yeo, Chien Ing; Tan, Sang Loon; Kwong, Huey Chong; Tiekink, Edward R. T.","[(<i>Z</i>)-<i>N</i>-(3-Fluorophenyl)-<i>O</i>-methylthiocarbamato-κ<i>S</i>](triphenylphosphane-κ<i>P</i>)gold(I): crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2020","76","8","1284","1290","10.1107/S2056989020009469","","","0.71073","MoKα","","0.0264","0.023","","","0.0487","0.0504","","","","","","1.075","","","","has coordinates,has Fobs","254391","2020-10-21","18:00:00",""
"2243495","17.7764","0.0003","17.7764","0.0003","4.2223","0.0001","90","","90","","90","","1334.25","0.04","230","","230","","","","","","","","","4","P -4 21 m","P -4 2ab","113","caesium propionate monohydrate","Caesium propanoate monohydrate","","- C3 H7 Cs O3 -","- C3 H7 Cs O3 -","- C24 H56 Cs8 O24 -","8","1","DJ2008","Samolová, Erika; Fábry, Jan","Caesium propanoate monohydrate","Acta Crystallographica Section E","2020","76","8","1307","1310","10.1107/S2056989020009639","","x-ray","0.71073","MoKα","","0.0165","0.0142","","","0.0359","0.0374","","","","1.1","1.1","1.1","","","","has coordinates,has Fobs","254392","2020-10-21","18:00:00",""
"2243496","7.4537","0.0001","8.0674","0.0001","8.1025","0.0001","83.791","0.001","82.591","0.001","71.407","0.001","456.768","0.01","298","","296.15","","","","","","","","","5","P -1","-P 1","2","","Bis(2-aminopyridinium) hexachloridostannate(IV)","","- C10 H14 Cl6 N4 Sn -","- C10 H14 Cl6 N4 Sn -","- C10 H14 Cl6 N4 Sn -","1","0.5","HB7922","Ghallab, Rochdi; Boutebdja, Mehdi; Dénès, George; Merazig, Hocine","Synthesis, crystal structure and Hirshfeld surface of bis(2-aminopyridinium) hexachloridostannate(IV)","Acta Crystallographica Section E","2020","76","8","1279","1283","10.1107/S205698902000941X","","x-ray","0.71073","MoKα","","0.0186","0.0168","","","0.0359","0.0367","","","","","","1.061","","","","has coordinates,has Fobs","254393","2020-10-21","18:00:00",""
"2243497","10.8832","0.0018","11.4742","0.0019","19.905","0.003","74.295","0.005","89.791","0.005","88.502","0.006","2392","0.7","296","","296","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[(4,4'-bipyridine-κ<i>N</i>)(μ-2-hydroxybenzoato-κ^2^<i>O</i>:<i>O</i>')(2-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'-[aquahemi(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')(2-hydroxybenzoato-κ<i>O</i>)(2-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)]","","- C53 H42 Co2 N5 O13 -","- C53 H42 Co2 N5 O13 -","- C106 H84 Co4 N10 O26 -","2","1","IS5544","Saelim, Thawanrat; Chainok, Kittipong; Kielar, Filip; Wannarit, Nanthawat","Crystal structure of a novel one-dimensional zigzag chain-like cobalt(II) coordination polymer constructed from 4,4'-bipyridine and 2-hydroxybenzoate ligands","Acta Crystallographica Section E","2020","76","8","1302","1306","10.1107/S2056989020009482","","x-ray","0.71073","MoKα","","0.0506","0.0347","","","0.0808","0.0877","","","","","","1.045","","","","has coordinates,has Fobs","254394","2020-10-21","18:00:00",""
"2243498","7.1212","0.0014","12.711","0.003","7.6991","0.0016","90","","105.94","0.007","90","","670.1","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>E</i>)-1-(2,6-Dichlorophenyl)-2-(3-nitrobenzylidene)hydrazine","","- C13 H9 Cl2 N3 O2 -","- C13 H9 Cl2 N3 O2 -","- C26 H18 Cl4 N6 O4 -","2","1","VM2237","Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Gurbanova, Nurana V.; Mammadova, Gunay Z.; Mlowe, Sixberth","(<i>E</i>)-1-(2,6-Dichlorophenyl)-2-(3-nitrobenzylidene)hydrazine: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2020","76","8","1291","1295","10.1107/S2056989020009433","","","0.71073","MoKα","","0.0402","0.0307","","","0.0604","0.0635","","","","","","1.107","","","","has coordinates,has Fobs","254395","2020-10-21","18:00:00",""
"2243499","6.5739","0.0004","22.9278","0.0015","6.0647","0.0004","90","","93.77","0.001","90","","912.12","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pipecolic acid diperoxosolvate","<i>DL</i>-Piperidinium-2-carboxylate bis(hydrogen peroxide)","","- C6 H15 N O6 -","- C6 H15 N O6 -","- C24 H60 N4 O24 -","4","1","FY2147","Navasardyan, Mger A.; Grishanov, Dmitry A.; Prikhodchenko, Petr V.; Churakov, Andrei V.","<small>DL</small>-Piperidinium-2-carboxylate bis(hydrogen peroxide): unusual hydrogen-bonded peroxide chains","Acta Crystallographica Section E","2020","76","8","1331","1335","10.1107/S205698902000972X","","","0.71073","MoKα","","0.0346","0.0306","","","0.0815","0.0837","","","","","","1.078","","","","has coordinates,has Fobs","254470","2020-10-21","18:00:00",""
"2243500","6.2592","0.0005","7.2229","0.0006","28.551","0.003","90","","90","","90","","1290.8","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-Methyl-2-({[4-(trifluoromethyl)phenyl]imino}methyl)phenol","","- C15 H12 F3 N O -","- C15 H12 F3 N O -","- C60 H48 F12 N4 O4 -","4","1","MW2164","Faizi, Md. Serajul Haque; Cinar, Emine Berrin; Dogan, Onur Erman; Aydin, Alev Sema; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf","Crystal structure, Hirshfeld surface analysis and DFT studies of 4-methyl-2-({[4-(trifluoromethyl)phenyl]imino}methyl)phenol","Acta Crystallographica Section E","2020","76","8","1325","1330","10.1107/S2056989020009615","","","0.71073","MoKα","","0.089","0.0733","","","0.1952","0.2127","","","","","","0.989","","","","has coordinates,has Fobs","254473","2020-10-21","18:00:00",""
"2243501","8.0534","0.0005","6.3764","0.0003","25.3657","0.0016","90","","96.392","0.005","90","","1294.47","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-{[(3-Chloro-4-methylphenyl)imino]methyl}-4-methylphenol","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C60 H56 Cl4 N4 O4 -","4","1","VM2236","Faizi, Md. Serajul Haque; Cinar, Emine Berrin; Aydin, Alev Sema; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf","Crystal structure, Hirshfeld surface analysis and DFT studies of (<i>E</i>)-2-{[(3-chloro-4-methylphenyl)imino]methyl}-4-methylphenol","Acta Crystallographica Section E","2020","76","8","1320","1324","10.1107/S2056989020009421","","","0.71073","MoKα","","0.0618","0.045","","","0.1292","0.1374","","","","","","1.028","","","","has coordinates,has Fobs","254474","2020-10-21","18:00:00",""
"2243502","8.121","0.002","8.433","0.002","9.154","0.002","68.918","0.012","80.523","0.012","71.27","0.009","553.1","0.2","99.99","","99.99","","","","","","","","","7","P -1","-P 1","2","","Di-μ-iodido-bis[(acetonitrile-κ<i>N</i>)(6-sulfanylidenepiperidin-2-one-κ<i>S</i>)copper(I)]","","- C14 H20 Cu2 I2 N4 O2 S2 -","- C14 H20 Cu2 I2 N4 O2 S2 -","- C14 H20 Cu2 I2 N4 O2 S2 -","1","0.5","ZL2791","Wheaton, Amelia M.; Guzei, Ilia A.; Berry, John F.","Structural diversity in copper(I) iodide complexes with 6-thioxopiperidin-2-one, piperidine-2,6-dithione and isoindoline-1,3-dithione ligands","Acta Crystallographica Section E","2020","76","8","1336","1344","10.1107/S2056989020009676","","x-ray","0.71073","MoKα","","0.0126","0.0121","","","0.03","0.0301","","","","","","1.072","","","","has coordinates,has Fobs","254475","2020-10-21","18:00:00",""
"2243503","14.4669","0.0008","12.2157","0.0007","16.9969","0.0011","90","","112.562","0.005","90","","2773.9","0.3","104.97","","104.97","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis(acetonitrile-κ<i>N</i>)tetra-μ~3~-iodido-bis(6-sulfanylidenepiperidin-2-one-κ<i>S</i>)-<i>tetrahedro</i>-tetracopper(I)","","- C14 H20 Cu4 I4 N4 O2 S2 -","- C14 H20 Cu4 I4 N4 O2 S2 -","- C56 H80 Cu16 I16 N16 O8 S8 -","4","0.5","ZL2791","Wheaton, Amelia M.; Guzei, Ilia A.; Berry, John F.","Structural diversity in copper(I) iodide complexes with 6-thioxopiperidin-2-one, piperidine-2,6-dithione and isoindoline-1,3-dithione ligands","Acta Crystallographica Section E","2020","76","8","1336","1344","10.1107/S2056989020009676","","x-ray","1.54178","CuKα","","0.0263","0.0255","","","0.0628","0.0634","","","","","","1.101","","","","has coordinates,has Fobs","254475","2020-10-21","18:00:00",""
"2243504","26.982","0.011","8.195","0.004","7.351","0.003","90","","90","","90","","1625.4","1.2","100","","100","","","","","","","","","7","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[(μ-6-sulfanylidenepiperidin-2-one-κ^2^<i>O</i>:<i>S</i>)copper(I)]-μ~3~-iodido]","","- C5 H7 Cu I N O S -","- C5 H7 Cu I N O S -","- C40 H56 Cu8 I8 N8 O8 S8 -","8","1","ZL2791","Wheaton, Amelia M.; Guzei, Ilia A.; Berry, John F.","Structural diversity in copper(I) iodide complexes with 6-thioxopiperidin-2-one, piperidine-2,6-dithione and isoindoline-1,3-dithione ligands","Acta Crystallographica Section E","2020","76","8","1336","1344","10.1107/S2056989020009676","","x-ray","1.54178","CuKα","","0.0356","0.0322","","","0.0796","0.0819","","","","","","1.07","","","","has coordinates,has Fobs","254475","2020-10-21","18:00:00",""
"2243505","13.2866","0.0009","11.6974","0.0013","14.8089","0.0009","90","","96.998","0.006","90","","2284.4","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[(piperidine-2,6-dithione-κ<i>S</i>)copper(I)]-μ~3~-iodido]","","- C10 H14 Cu2 I2 N2 S4 -","- C10 H14 Cu2 I2 N2 S4 -","- C40 H56 Cu8 I8 N8 S16 -","4","1","ZL2791","Wheaton, Amelia M.; Guzei, Ilia A.; Berry, John F.","Structural diversity in copper(I) iodide complexes with 6-thioxopiperidin-2-one, piperidine-2,6-dithione and isoindoline-1,3-dithione ligands","Acta Crystallographica Section E","2020","76","8","1336","1344","10.1107/S2056989020009676","","x-ray","1.54178","CuKα","","0.0501","0.0479","","","0.1233","0.1257","","","","","","1.064","","","","has coordinates,has Fobs","254475","2020-10-21","18:00:00",""
"2243506","15.174","0.005","4.1188","0.0016","15.785","0.006","90","","92.98","0.02","90","","985.2","0.6","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","Poly[(μ-isoindoline-1,3-dithione-κ^2^<i>S</i>:<i>S</i>)copper(I)]-μ~3~-iodido]","","- C8 H5 Cu I N S2 -","- C8 H5 Cu I N S2 -","- C32 H20 Cu4 I4 N4 S8 -","4","1","","Wheaton, Amelia M.; Guzei, Ilia A.; Berry, John F.","Structural diversity in copper(I) iodide complexes with 6-thioxopiperidin-2-one, piperidine-2,6-dithione and isoindoline-1,3-dithione ligands","Acta Crystallographica Section E","2020","76","8","1336","1344","10.1107/S2056989020009676","","x-ray","0.71073","MoKα","","0.0429","0.036","","","0.0866","0.089","","","","","","1.056","","","","has coordinates,has Fobs","254475","2020-10-21","18:00:00",""
"2243507","9.2002","0.0004","9.4306","0.0004","11.7651","0.0004","94.639","0.003","110.091","0.004","97.599","0.003","941.46","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis{μ-1,5-bis[(pyridin-2-yl)methylidene]carbonohydrazide(1-)}di-μ-chlorido-tetrachloridotetrazinc(II)","","- C26 H26 Cl6 N12 O4 Zn4 -","- C26 H26 Cl6 N12 O4 Zn4 -","- C26 H26 Cl6 N12 O4 Zn4 -","1","0.5","EX2035","Seck, Thierno Moussa; Gaye, Papa Aly; Ndoye, Cheikh; Thiam, Ibrahima Elhadji; Diouf, Ousmane; Retailleau, Pascal; Gaye, Mohamed","Diaquabis{μ-1,5-bis[(pyridin-2-yl)methylidene]carbonohydrazide(1‒)}di-μ-chlorido-tetrachloridotetrazinc(II)","Acta Crystallographica Section E","2020","76","8","1349","1352","10.1107/S2056989020009834","","x-ray","0.71073","MoKα","","0.0526","0.0386","","","0.095","0.1025","","","","","","1.045","","","","has coordinates,has Fobs","254581","2020-10-21","18:00:00",""
"2243508","7.4471","0.0006","9.9016","0.0009","22.052","0.002","90","","94.184","0.003","90","","1621.7","0.2","303","2","303.22","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>N</i>,<i>N</i>-Dimethyl-<i>N</i>-<i>n</i>-propyltryptammonium iodide","2-(1<i>H</i>-Indol-3-yl)-<i>N</i>,<i>N</i>-dimethyl-<i>N</i>-propylazanium iodide","","- C15 H23 I N2 -","- C15 H23 I N2 -","- C60 H92 I4 N8 -","4","1","ZQ2255","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","Quaternary tryptammonium salts: <i>N</i>,<i>N</i>-dimethyl-<i>N</i>-<i>n</i>-propyltryptammonium (DMPT) iodide and <i>N</i>-allyl-<i>N</i>,<i>N</i>-dimethyltryptammonium (DMALT) iodide","Acta Crystallographica Section E","2020","76","8","1357","1360","10.1107/S2056989020010014","","","0.71073","MoKα","","0.0418","0.0276","","","0.0501","0.0537","","","","","","1.128","","","","has coordinates,has Fobs","254582","2020-10-21","18:00:00",""
"2243509","7.3471","0.0008","9.9672","0.0009","10.9499","0.0011","90","","94.671","0.003","90","","799.2","0.14","303.22","","303.22","","","","","","","","","4","P 1 21 1","P 2yb","4","<i>N</i>-Allyl-<i>N</i>,<i>N</i>-dimethyltryptammonium iodide","2-(1<i>H</i>-Indol-3-yl)-<i>N</i>,<i>N</i>-dimethyl-<i>N</i>-(prop-2-en-1-yl)azanium iodide","","- C7.5 H10.5 I0.5 N -","- C7.5 H10.5 I0.5 N -","- C30 H42 I2 N4 -","4","2","","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","Quaternary tryptammonium salts: <i>N</i>,<i>N</i>-dimethyl-<i>N</i>-<i>n</i>-propyltryptammonium (DMPT) iodide and <i>N</i>-allyl-<i>N</i>,<i>N</i>-dimethyltryptammonium (DMALT) iodide","Acta Crystallographica Section E","2020","76","8","1357","1360","10.1107/S2056989020010014","","","0.71073","MoKα","","0.0287","0.0268","","","0.0696","0.0707","","","","","","1.133","","","","has coordinates,has disorder,has Fobs","254582","2020-10-21","18:00:00",""
"2243510","7.1664","0.0002","15.5088","0.0004","11.6516","0.0004","90","","101.202","0.003","90","","1270.31","0.07","112","0.3","112","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,10-Phenanthrolinium pentafluoridooxidotungstate(VI)","","- C12 H9 F5 N2 O W -","- C12 H9 F5 N2 O W -","- C48 H36 F20 N8 O4 W4 -","4","1","CQ2038","Turnbull, Douglas; Gerken, Michael","Crystal structure of an ordered [WOF~5~]^{-^} salt: (1,10-phen-H)[WOF~5~] (1,10-phen = 1,10-phenanthroline)","Acta Crystallographica Section E","2020","76","8","1345","1348","10.1107/S2056989020009767","","x-ray","0.71073","MoKα","","0.0189","0.0162","","","0.0368","0.0376","","","","","","1.061","","","","has coordinates,has Fobs","254583","2020-10-21","18:00:00",""
"2243511","5.6085","0.0004","18.1641","0.0011","10.6884","0.0007","90","","97.86","0.004","90","","1078.63","0.12","299.82","","299.82","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(propanosulfonate)-N,N-butyl-bis(imidazole) dihydrate","3,3'-[1,1'-(Butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium-3,1-diyl)]bis(propane-1-sulfonate) dihydrate","","- C16 H30 N4 O8 S2 -","- C16 H30 N4 O8 S2 -","- C32 H60 N8 O16 S4 -","2","0.5","WM5571","Udvardy, Antal; De, Sourav; Gál, Tamás Gyula; Papp, Gábor; Czégéni, Csilla Eniko; Joó, Ferenc","Crystal structure of zwitterionic 3,3'-[1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium-3,1-diyl)]bis(propane-1-sulfonate) dihydrate","Acta Crystallographica Section E","2020","76","8","1353","1356","10.1107/S2056989020009779","","","1.54178","CuKα","","0.0641","0.0477","","","0.0975","0.1093","","","","","","1.107","","","","has coordinates,has Fobs","254584","2020-10-21","18:00:00",""
"2243512","8.7807","0.0009","11.9566","0.0012","12.9121","0.0013","77.982","0.001","78.711","0.001","75.612","0.001","1269.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Phenyl(5,7,8a-triphenyl-1,2,3,7,8,8a-hexahydroimidazo[1,2-<i>a</i>]pyridin-6-yl)methanone","","- C32 H28 N2 O -","- C32 H28 N2 O -","- C64 H56 N4 O2 -","2","1","IS5547","Naghiyev, Farid N.; Mammadova, Gunay Z.; Mamedov, Ibrahim G.; Huseynova, Afet T.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Akobirshoeva, Anzurat A.","Crystal structure and Hirshfeld surface analysis of phenyl(5,7,8a-triphenyl-1,2,3,7,8,8a-hexahydroimidazo[1,2-<i>a</i>]pyridin-6-yl)methanone with an unknown solvent","Acta Crystallographica Section E","2020","76","8","1365","1368","10.1107/S2056989020009871","","","0.71073","MoKα","","0.0829","0.0508","","","0.1031","0.1168","","","","","","1.034","","","","has coordinates,has Fobs","254585","2020-10-21","18:00:00",""
"2243513","9.0844","0.0012","18.7227","0.0018","11.2708","0.0014","90","","104.848","0.004","90","","1853","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Dibenzyl-6-methyl-1,4-dihydroquinoxaline-2,3-dione","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C92 H80 N8 O8 -","4","1","MW2165","Cinar, Emine Berrin; Zouitini, Ayman; Kandri Rodi, Youssef; Ouzidan, Younes; Marrot, Jérôme; Prim, Damien; Dege, Necmi; Saif, Eiad","Synthesis, crystal structures and Hirshfeld surface analysis of 1,4-dibenzyl-6-methyl-1,4-dihydroquinoxaline-2,3-dione","Acta Crystallographica Section E","2020","76","8","1361","1364","10.1107/S2056989020009895","","","0.71073","MoKα","","0.1097","0.0601","","","0.1584","0.1876","","","","","","1.038","","","","has coordinates,has Fobs","254586","2020-10-21","18:00:00",""
"2243514","10.5035","0.0004","15.2782","0.0005","20.9003","0.0007","80.266","0.003","86.443","0.003","78.066","0.003","3233","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","(5-Bromo-1,10-πhenanthroline-κ^2^<i>N</i>,<i>N</i>')bis[dihydrobis(pyrazol-1-yl)borato-κ^2^<i>N</i>^2^,<i>N</i>^2'^]iron(II) toluene disolvate","","- C31 H31 B2 Br Fe N10 -","- C27.5 H27 B2 Br Fe N10 -","- C110 H108 B8 Br4 Fe4 N40 -","4","2","WM5576","Ossinger, Sascha; Näther, Christian; Tuczek, Felix","Crystal structure of bis(5-bromo-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis[dihydrobis(pyrazol-1-yl)borato-κ^2^<i>N</i>^2^,<i>N</i>^2'^]iron(II) toluene disolvate","Acta Crystallographica Section E","2020","76","8","1398","1402","10.1107/S2056989020010361","","","0.71073","MoKα","","0.0871","0.0533","","","0.1249","0.1392","","","","","","1.018","","","","has coordinates,has Fobs","254727","2020-10-21","18:00:00",""
"2243515","13.3288","0.0013","11.214","0.0008","13.8579","0.0013","90","","97.667","0.008","90","","2052.8","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(tetramethylthiourea-κ<i>S</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C12 H24 Co N6 S4 -","- C12 H24 Co N6 S4 -","- C48 H96 Co4 N24 S16 -","4","1","TX2029","Jochim, Aleksej; Radulovic, Rastko; Jess, Inke; Näther, Christian","Crystal structure of bis(tetramethylthiourea-κ<i>S</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2020","76","8","1373","1377","10.1107/S205698902001021X","","","0.71073","MoKα","","0.0377","0.0308","","","0.0809","0.084","","","","","","1.018","","","","has coordinates,has Fobs","254728","2020-10-21","18:00:00",""
"2243516","12.412","0.002","12.855","0.002","6.599","0.001","90","","114.727","0.002","90","","956.4","0.3","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","Sodium manganese indium tris(phosphate) (2.22/0.87/1.68)","","- In1.68 Mn0.87 Na2.22 O12 P3 -","- In1.6886 Mn0.8552 Na2.2238 O12 P3 -","- In6.7544 Mn3.4208 Na8.8952 O48 P12 -","4","0.5","WM5566","Badri, Abdessalem; Alvarez-Serrano, Inmaculada; Luisa López, María; Ben Amara, Mongi","Synthesis, crystal structure and charge-distribution validation of a new alluaudite-type phosphate, Na~2.22~Mn~0.87~In~1.68~(PO~4~)~3~","Acta Crystallographica Section E","2020","76","8","1369","1372","10.1107/S2056989020010191","","","0.71073","MoKα","","0.0215","0.0212","","","0.0534","0.0535","","","","","","1.308","","","","has coordinates,has Fobs","254729","2020-10-21","18:00:00",""
"2243517","22.6809","0.0013","20.5788","0.0011","27.6206","0.0016","90","","101.59","0.002","90","","12628.9","1.2","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Poly[[μ~3~-acetato-hexakis(μ-<i>N</i>,<i>N</i>-dimethylformamide)bis(<i>N</i>,<i>N</i>-dimethylformamide)bis[salicylhydroximato(2-)]heptakis[salicylhydroximato(3-)]hexaaluminium(III)dysprosium(III)pentasodium(I)] <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate monohydrate]","","- C101 H127 Al6 Dy N21 Na5 O42 -","- C101 H127 Al6 Dy N21 Na5 O42 -","- C404 H508 Al24 Dy4 N84 Na20 O168 -","4","1","PK2639","Travis, Jordan R.; Van Trieste III, Gerard P.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structures of two dysprosium‒aluminium‒sodium [3.3.1] metallacryptates that form two-dimensional sheets","Acta Crystallographica Section E","2020","76","8","1378","1390","10.1107/S2056989020010130","","","0.71073","MoKα","","0.0718","0.0561","","","0.1463","0.1588","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","254730","2020-10-21","18:00:00",""
"2243518","28.1847","0.0014","15.3683","0.0008","30.7354","0.0016","90","","106.461","0.002","90","","12767.4","1.1","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","Poly[[di-μ~4~-acetato-nonakis(μ-<i>N</i>,<i>N</i>-dimethylformamide)octakis(<i>N</i>,<i>N</i>-dimethylformamide)tetrakis[salicylhydroximato(2-)]tetradecakis[salicylhydroximato(3-)]dodecaaluminium(III)didysprosium(III)decasodium(I)] <i>N</i>,<i>N</i>-dimethylformamide 6.335-solvate]","","- C200.01 H245.35 Al12 Dy2 N41.34 Na10 O81.34 -","- C200.005 H245.345 Al12 Dy2 N41.335 Na10 O81.335 -","- C400.01 H490.69 Al24 Dy4 N82.67 Na20 O162.67 -","2","1","","Travis, Jordan R.; Van Trieste III, Gerard P.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structures of two dysprosium‒aluminium‒sodium [3.3.1] metallacryptates that form two-dimensional sheets","Acta Crystallographica Section E","2020","76","8","1378","1390","10.1107/S2056989020010130","","","1.54178","CuKα","","0.0557","0.0527","","","0.1351","0.1374","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","254730","2020-10-21","18:00:00",""
"2243519","4.3815","0.0002","15.3348","0.0006","14.5894","0.0006","90","","96.588","0.001","90","","973.78","0.07","150","2","150","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","2,6-Diiodo-4-nitrotoluene","","- C7 H5 I2 N O2 -","- C7 H5 I2 N O2 -","- C28 H20 I8 N4 O8 -","4","1","DJ2011","Medjroubi, Mohamed Larbi; Boudjada, Ali; Hamdouni, Noudjoud; Brihi, Ouarda; Jeannin, Olivier; Meinnel, Jean","Crystal structure and Hirshfeld surface analysis of 2,6-diiodo-4-nitrotoluene and 2,4,6-tribromotoluene","Acta Crystallographica Section E","2020","76","8","1391","1397","10.1107/S2056989020010270","","","0.71073","MoKα","","0.0325","0.0236","","","0.0432","0.0457","","","","","","0.982","","","","has coordinates,has disorder,has Fobs","254731","2020-10-21","18:00:00",""
"2243520","14.3484","0.0011","3.9955","0.0003","15.6975","0.0012","90","","110.519","0.002","90","","842.83","0.11","150","2","150","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","2,4,6-Tribromotoluene","","- C7 H5 Br3 -","- C7 H5 Br3 -","- C28 H20 Br12 -","4","1","DJ2011","Medjroubi, Mohamed Larbi; Boudjada, Ali; Hamdouni, Noudjoud; Brihi, Ouarda; Jeannin, Olivier; Meinnel, Jean","Crystal structure and Hirshfeld surface analysis of 2,6-diiodo-4-nitrotoluene and 2,4,6-tribromotoluene","Acta Crystallographica Section E","2020","76","8","1391","1397","10.1107/S2056989020010270","","","0.71073","MoKα","","0.0337","0.025","","","0.047","0.0489","","","","","","1.076","","","","has coordinates,has Fobs","254731","2020-10-21","18:00:00",""
"2243521","5.9573","0.0001","29.381","0.0003","8.0664","0.0001","90","","100.202","0.001","90","","1389.55","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Ferrocenyl-2-(4-nitrophenyl)ethyne","","- C18 H13 Fe N O2 -","- C18 H13 Fe N O2 -","- C72 H52 Fe4 N4 O8 -","4","1","DJ2003","Delgado Rivera, Sara M.; González Espiet, Jean C.; Dones, Jesús M.; Henríquez López, Sebastián A.; Guadalupe, Ana R.; Piñero Cruz, Dalice M.; Montes González, Ingrid","Crystal structure of 1-ferrocenyl-2-(4-nitrophenyl)ethyne","Acta Crystallographica Section E","2020","76","8","1403","1406","10.1107/S2056989020010336","","x-ray","1.54184","CuKα","","0.0256","0.0237","","","0.0603","0.0612","","","","","","1.066","","","","has coordinates,has Fobs","254732","2020-10-21","18:00:00",""
"2243522","7.4634","0.0001","10.3902","0.0001","8.3747","0.0001","90","","106.49","","90","","622.715","0.013","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Potassium scandium diphosphate","","- K O7 P2 Sc -","- K O7 P2 Sc -","- K4 O28 P8 Sc4 -","4","1","WM5578","Redhammer, Günther J.; Tippelt, Gerold","The crystal structure of KScP~2~O~7~","Acta Crystallographica Section E","2020","76","9","1412","1416","10.1107/S2056989020010427","","x-ray","0.71073","MoKα","","0.0189","0.0179","","","0.0481","0.0488","","","","","","1.054","","","","has coordinates","254834","2020-10-21","18:00:00",""
"2243523","12.1464","0.0007","21.0777","0.0012","12.5842","0.0007","90","","115.277","0.002","90","","2913.3","0.3","99.99","","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetrabromidotetra-μ-hydroxido-hexakis[μ-2-methyl-3-(pyrrolidin-1-yl)propan-2-olato]hexazinc(II) acetone disolvate","","- C42 H88 Br4 N4 O10 Zn6 -","- C42 H88 Br4 N4 O10 Zn6 -","- C84 H176 Br8 N8 O20 Zn12 -","2","0.5","HB7910","Scheel, Rebecca; Brieger, Lukas; Louven, Kathrin; Strohmann, Carsten","Synthesis and crystal structure of [Zn~6~Br~4~(C~9~H~18~NO)~4~(OH)~4~]·2C~3~H~6~O~2~","Acta Crystallographica Section E","2020","76","7","998","1002","10.1107/S2056989020007100","","x-ray","0.71073","MoKα","","0.0272","0.0209","","","0.0494","0.0514","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","255158","2020-10-21","18:00:00",""
"2243524","11.7405","0.0006","5.3589","0.0002","8.342","0.0004","90","","98.661","0.003","90","","518.86","0.04","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","Tetracopper iron digermanium heptasulfide","","- Cu4 Fe Ge2 S7 -","- Cu4 Fe Ge2 S7 -","- Cu8 Fe2 Ge4 S14 -","2","0.5","HB7920","Craig, Andrew J.; Stoyko, Stanislav S.; Bonnoni, Allyson; Aitken, Jennifer A.","Syntheses and crystal structures of the quaternary thiogermanates Cu~4~FeGe~2~S~7~ and Cu~4~CoGe~2~S~7~","Acta Crystallographica Section E","2020","76","7","1117","1121","10.1107/S2056989020007872","","","0.71073","MoKα","","0.042","0.0339","","","0.0872","0.0938","","","","","","1.064","","","","has coordinates","255159","2020-10-21","18:00:00",""
"2243525","11.728","0.0002","5.33987","0.0001","8.33133","0.00014","90","","98.668","0.0012","90","","515.798","0.016","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","Tetracopper cobalt digermanium heptasulfide","","- Co Cu4 Ge2 S7 -","- Co Cu4 Ge2 S7 -","- Co2 Cu8 Ge4 S14 -","2","0.5","HB7920","Craig, Andrew J.; Stoyko, Stanislav S.; Bonnoni, Allyson; Aitken, Jennifer A.","Syntheses and crystal structures of the quaternary thiogermanates Cu~4~FeGe~2~S~7~ and Cu~4~CoGe~2~S~7~","Acta Crystallographica Section E","2020","76","7","1117","1121","10.1107/S2056989020007872","","","0.71073","MoKα","","0.0348","0.0298","","","0.0713","0.0746","","","","","","1.111","","","","has coordinates","255159","2020-10-21","18:00:00",""
"2243526","12.0071","0.0006","36.1737","0.0015","13.698","0.0006","90","","111.97","0.005","90","","5517.5","0.5","293","2","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{μ~2~-1,2-Bis[(4-methylphenylsulfanyl]-3-oxoprop-1-ene-1,3-diyl-1:2<i>C</i>^3^:<i>C</i>^1^}dicarbonyl-1κ^2^<i>C</i>-[μ~2~-methylenebis(diphenylphosphane)-1:2κ^2^<i>P</i>:<i>P</i>'](triphenylphosphane-2κ<i>P</i>)ironplatinum(<i>Fe</i>—<i>Pt</i>)","","- C64 H55 Fe O3 P3 Pt S2 -","- C64 H55 Fe O3 P3 Pt S2 -","- C256 H220 Fe4 O12 P12 Pt4 S8 -","4","1","PK2630","Mohamed, Ahmed Said; Jourdain, Isabelle; Knorr, Michael; Brieger, Lukas; Strohmann, Carsten","Crystal structure of {μ~2~-1,2-bis[(4-methylphenylsulfanyl]-3-oxoprop-1-ene-1,3-diyl-1:2κ^2^<i>C</i>^3^:<i>C</i>^1^}dicarbonyl-1κ^2^<i>C</i>-[μ~2~-methylenebis(diphenylphosphane)-1:2κ^2^<i>P</i>:<i>P</i>'](triphenylphosphane-2κ<i>P</i>)ironplatinum(<i>Fe</i>—<i>Pt</i>), [(OC)~2~Fe(μ-dppm){μ-C(=O)C(4-MeC~6~H~4~SCH~2~)=CCH~2~SC~6~H~4~Me-4}Pt(PPh~3~)]","Acta Crystallographica Section E","2020","76","7","1087","1091","10.1107/S2056989020007859","","x-ray","0.71073","MoKα","","0.0568","0.0366","","","0.0693","0.0764","","","","","","1.029","","","","has coordinates,has Fobs","255160","2020-10-21","18:00:00",""
"2243527","9.4401","0.0004","16.8718","0.0008","21.0246","0.001","90","","92.0668","0.0006","90","","3346.4","0.3","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[(tetrahydrofuran)tris[μ-η^5^:η^5^-1-(trimethylsilyl)cyclopentadienyl]caesium(I)ytterbium(II)]","","- C28 H47 Cs O Si3 Yb -","- C28 H47 Cs O Si3 Yb -","- C112 H188 Cs4 O4 Si12 Yb4 -","4","1","ZL2785","Huh, Daniel N.; Ziller, Joseph W.; Evans, William J.","Crystal structure of the [(THF)Cs(μ-η^5^:η^5^-Cp')~3~Yb]~<i>n~</i> oligomer","Acta Crystallographica Section E","2020","76","7","1131","1135","10.1107/S2056989020008051","","","0.71073","MoKα","","0.0496","0.0315","","","0.0519","0.0562","","","","","","1.017","","","","has coordinates,has Fobs","255161","2020-10-21","18:00:00",""
"2243528","7.3811","0.0005","14.9963","0.0009","16.9217","0.001","90","","102.138","0.002","90","","1831.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-Anilino-1,4-diphenyl-1<i>H</i>-1,2,4-triazol-4-ium difluorophosphate","","- C20 H17 F2 N4 O2 P -","- C20 H17 F2 N4 O2 P -","- C80 H68 F8 N16 O8 P4 -","4","1","PK2629","Weil, Matthias; Fürst, Markus","Crystal structure of (1,4-diphenyl-4<i>H</i>-1,2,4-triazol-3-yl)phenylamine difluorophosphate, and a survey of the difluorophosphate anion (PO~2~F~2~^{-^})","Acta Crystallographica Section E","2020","76","7","1003","1006","10.1107/S2056989020006933","","","0.71073","MoKα","","0.059","0.0393","","","0.0898","0.0996","","","","","","1.031","","","","has coordinates,has Fobs","255162","2020-10-21","18:00:00",""
"2243529","8.079","0.007","20.134","0.017","7.915","0.007","90","","116.647","0.018","90","","1150.7","1.7","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Nitrophenyl)-4<i>H</i>-chromen-4-one","","- C15 H9 N O4 -","- C15 H9 N O4 -","- C60 H36 N4 O16 -","4","1","YK2138","Oskolkov, Evgenii; Kornilova, Tatiana; Chavez, Preciosa America; Tillotson, John P.; Timofeeva, Tatiana V.","Structural (at 100K) and DFT studies of 2'-nitroflavone","Acta Crystallographica Section E","2020","76","9","1417","1420","10.1107/S2056989020010713","","","0.71073","MoKα","","0.0384","0.0347","","","0.09","0.0933","","","","","","1.05","","","","has coordinates,has Fobs","255206","2020-10-21","18:00:00",""
"2243530","7.1843","0.0001","9.9198","0.0001","12.523","0.0002","84.319","0.001","83.574","0.001","69.151","0.001","827.11","0.02","100","2","100","0.1","","","","","","","","4","P -1","-P 1","2","","(3<i>E</i>,3'<i>E</i>)-3,3'-[(2-Sulfanylidene-1,3-dithiole-4,5-diyl)bis(sulfanediyl)]bis(4-hydroxypent-3-en-2-one)","","- C13 H14 O4 S5 -","- C13 H14 O4 S5 -","- C26 H28 O8 S10 -","2","1","DX2025","Cordero Giménez, Keysha T.; Soto Díaz, Victoria Y.; González Espiet, Jean C.; Levín Flores, Alexis; Bas Concepción, Jesbaniris; Rivera Cruz, Kevin E.; Rodríguez Ayala, Dara L.; Piñero Cruz, Dalice M.","Crystal structure, Hirshfeld surface analysis and spectroscopic characterization of the di-enol tautomeric form of the compound 3,3'-[(2-sulfanylidene-1,3-dithiole-4,5-diyl)bis(sulfanediyl)]bis(pentane-2,4-dione)","Acta Crystallographica Section E","2020","76","9","1427","1432","10.1107/S2056989020010695","","","1.54184","CuKα","","0.0268","0.0265","","","0.0722","0.0725","","","","","","1.048","","","","has coordinates,has Fobs","255253","2020-10-21","18:00:00",""
"2243531","11.7054","0.0007","13.9151","0.0007","13.3273","0.0008","90","","110.347","0.002","90","","2035.3","0.2","93","","93","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","<i>fac</i>-Bromidotricarbonyl(diethyl 2,2'-bipyridine-4,4'-dicarboxylate-κ^2^<i>N</i>,<i>N</i>')manganese(I)","","- C19 H16 Br Mn N2 O7 -","- C19 H16 Br Mn N2 O7 -","- C76 H64 Br4 Mn4 N8 O28 -","4","1","DJ2012","Kanno, Takatoshi; Takase, Tsugiko; Oyama, Dai","Synthesis and crystal structures of manganese(I) carbonyl complexes bearing ester-substituted α-diimine ligands","Acta Crystallographica Section E","2020","76","9","1433","1436","10.1107/S2056989020010750","","","0.71075","MoKα","","0.0425","0.0365","","","0.0937","0.0977","","","","","","1.069","","","","has coordinates,has Fobs","255254","2020-10-21","18:00:00",""
"2243532","8.8953","0.0009","12.0086","0.0013","23.79","0.003","90","","95.794","0.002","90","","2528.3","0.5","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>fac</i>-Bromidotricarbonyl(diethyl 2,2'-biquinoline-4,4'-dicarboxylate-κ^2^<i>N</i>,<i>N</i>')manganese(I)","","- C27 H20 Br Mn N2 O7 -","- C27 H20 Br Mn N2 O7 -","- C108 H80 Br4 Mn4 N8 O28 -","4","1","DJ2012","Kanno, Takatoshi; Takase, Tsugiko; Oyama, Dai","Synthesis and crystal structures of manganese(I) carbonyl complexes bearing ester-substituted α-diimine ligands","Acta Crystallographica Section E","2020","76","9","1433","1436","10.1107/S2056989020010750","","","0.71075","MoKα","","0.068","0.046","","","0.1208","0.134","","","","","","1.05","","","","has coordinates,has Fobs","255254","2020-10-21","18:00:00",""
"2243533","18.0904","0.0007","7.8971","0.0003","19.8043","0.0008","90","","90","","90","","2829.28","0.19","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[2-Chloro-3-nitro-5-(trifluoromethyl)phenyl](piperidin-1-yl)methanone","","- C13 H12 Cl F3 N2 O3 -","- C13 H12 Cl F3 N2 O3 -","- C104 H96 Cl8 F24 N16 O24 -","8","1","VM2238","Eckhardt, Tamira; Goddard, Richard; Rudolph, Ines; Richter, Adrian; Lehmann, Christoph; Imming, Peter; Seidel, Rüdiger W.","[2-Chloro-3-nitro-5-(trifluoromethyl)phenyl](piperidin-1-yl)methanone: structural characterization of a side product in benzothiazinone synthesis","Acta Crystallographica Section E","2020","76","9","1442","1446","10.1107/S2056989020010658","","","1.54178","CuKα","","0.0432","0.0425","","","0.1141","0.1147","","","","","","1.148","","","","has coordinates,has disorder,has Fobs","255255","2020-10-21","18:00:00",""
"2243534","5.6777","0.0003","23.0873","0.0015","8.7206","0.0006","90","","90.59","0.002","90","","1143.06","0.12","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[(<i>N</i>,<i>N</i>-Dimethylamino)methyl]ferrocene","","- C13 H17 Fe N -","- C13 H17 Fe N -","- C52 H68 Fe4 N4 -","4","1","HB7933","Krupp, Anna; Wegge, Jessica; Otte, Felix; Kleinheider, Johannes; Wall, Helene; Strohmann, Carsten","Crystal structures of [(<i>N</i>,<i>N</i>-dimethylamino)methyl]ferrocene and (<i>R</i>~p~,<i>R</i>~p~)-bis{2-[(dimethylamino)methyl]ferrocenyl}dimethylsilane","Acta Crystallographica Section E","2020","76","9","1437","1441","10.1107/S2056989020010397","","x-ray","0.71073","MoKα","","0.0538","0.047","","","0.115","0.1178","","","","","","1.168","","","","has coordinates,has Fobs","255256","2020-10-21","18:00:00",""
"2243535","12.0132","0.0007","14.0683","0.0008","15.7169","0.0011","90","","90","","90","","2656.2","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>~p~,<i>R</i>~p~)-Bis{2-[(dimethylamino)methyl]ferrocenyl}dimethylsilane","","- C28 H38 Fe2 N2 Si -","- C28 H38 Fe2 N2 Si -","- C112 H152 Fe8 N8 Si4 -","4","1","HB7933","Krupp, Anna; Wegge, Jessica; Otte, Felix; Kleinheider, Johannes; Wall, Helene; Strohmann, Carsten","Crystal structures of [(<i>N</i>,<i>N</i>-dimethylamino)methyl]ferrocene and (<i>R</i>~p~,<i>R</i>~p~)-bis{2-[(dimethylamino)methyl]ferrocenyl}dimethylsilane","Acta Crystallographica Section E","2020","76","9","1437","1441","10.1107/S2056989020010397","","x-ray","1.54178","CuKα","","0.0303","0.0277","","","0.0624","0.0646","","","","","","1.07","","","","has coordinates,has Fobs","255256","2020-10-21","18:00:00",""
"2243536","4.8283","0.0002","32.0832","0.001","8.0221","0.0003","90","","104.936","0.004","90","","1200.7","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(3-Chloro-2-methylanilino)benzoic acid","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","HB7936","Blade, Helen; Blundell, Charles D.; Vitorica-Yrezabal, Iñigo J.","Crystal structures of tolfenamic acid polymorphic forms I and II with precise hydrogen-atom positions for nuclear magnetic resonance studies","Acta Crystallographica Section E","2020","76","9","1421","1426","10.1107/S2056989020010841","","x-ray","0.71073","MoKα","","0.0863","0.0641","","","0.1194","0.1265","","","","","","1.0385","","","","has coordinates","255257","2020-10-21","18:00:00",""
"2243537","3.84618","0.00014","21.9502","0.0007","14.1764","0.0005","90","","94.235","0.004","90","","1193.57","0.07","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","HB7936","Blade, Helen; Blundell, Charles D.; Vitorica-Yrezabal, Iñigo J.","Crystal structures of tolfenamic acid polymorphic forms I and II with precise hydrogen-atom positions for nuclear magnetic resonance studies","Acta Crystallographica Section E","2020","76","9","1421","1426","10.1107/S2056989020010841","","x-ray","0.71073","MoKα","","0.0755","0.0456","","","0.0707","0.0765","","","","","","1.0976","","","","has coordinates","255257","2020-10-21","18:00:00",""
"2243538","13.7267","0.001","16.0458","0.0011","28.2591","0.0018","80.675","0.002","84.459","0.002","71.757","0.002","5826.3","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis(pyridinium) diaquadipyridinehexakis[μ~3~-salicylhydroximato(3-)]bis[μ~2~-salicylhydroximato(1-)]hexaaluminiumgadolinium‒pyridine‒water (1/7.396/1)","","- C119.25 H104.26 Al6 Gd N20.25 O30 -","- C119.255 H104.255 Al6 Gd N20.251 O30 -","- C238.51 H208.51 Al12 Gd2 N40.502 O60 -","2","1","MW2167","Rheam, Rachel E.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structures of three anionic lanthanide‒aluminium [3.3.1] metallacryptate complexes","Acta Crystallographica Section E","2020","76","9","1458","1466","10.1107/S2056989020010725","","","0.71073","MoKα","","0.0766","0.0543","","","0.1339","0.1456","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","255341","2020-10-21","18:00:00",""
"2243539","13.7232","0.0006","16.0871","0.0007","28.2946","0.0013","80.632","0.002","83.989","0.002","71.66","0.002","5840.6","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis(pyridinium) diaquadipyridinehexakis[μ~3~-salicylhydroximato(3-)]bis[μ~2~-salicylhydroximato(1-)]hexaaluminiumdysprosium‒pyridine‒water (1/7.429/1)","","- C119.6 H104.6 Al6 Dy N20.32 O30 -","- C119.6 H104.6 Al6 Dy N20.32 O30 -","- C239.2 H209.2 Al12 Dy2 N40.64 O60 -","2","1","","Rheam, Rachel E.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structures of three anionic lanthanide‒aluminium [3.3.1] metallacryptate complexes","Acta Crystallographica Section E","2020","76","9","1458","1466","10.1107/S2056989020010725","","","0.71073","MoKα","","0.0572","0.0478","","","0.1117","0.1158","","","","","","1.142","","","","has coordinates,has disorder,has Fobs","255341","2020-10-21","18:00:00",""
"2243540","13.7254","0.0006","16.0597","0.0008","28.2523","0.0012","80.5334","0.0016","83.7992","0.0017","72.0307","0.0017","5832.2","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis(pyridinium) diaquadipyridinehexakis[μ~3~-salicylhydroximato(3-)]bis[μ~2~-salicylhydroximato(1-)]hexaaluminiumytterbium‒pyridine‒water (1/7.386/1)","","- C119.02 H104.02 Al6 N20.2 O30 Yb -","- C119.02 H104.02 Al6 N20.204 O30 Yb -","- C238.04 H208.04 Al12 N40.408 O60 Yb2 -","2","1","","Rheam, Rachel E.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structures of three anionic lanthanide‒aluminium [3.3.1] metallacryptate complexes","Acta Crystallographica Section E","2020","76","9","1458","1466","10.1107/S2056989020010725","","","0.71073","MoKα","","0.0644","0.0483","","","0.1171","0.1255","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","255341","2020-10-21","18:00:00",""
"2243541","17.021","0.006","16.519","0.005","8.079","0.003","90","","97.552","0.008","90","","2251.9","1.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(16<i>Z</i>,19<i>E</i>)-18-Oxo-<i>N</i>-(pyridin-2-yl)-6,7,9,10-tetrahydro-18<i>H</i>-dibenzo[<i>h</i>,<i>o</i>][1,4,7]trioxacyclohexadecine-17-carboxamide","","- C27 H24 N2 O5 -","- C27 H24 N2 O5 -","- C108 H96 N8 O20 -","4","1","YK2136","Wodajo, Ayalew T.; Tran, Thi Thanh Van; Truong, Hong Hieu; Tskhovrebov, Alexander G.; Le, The Duan; Khrustalev, Victor N.; Le, Tuan Anh","Synthesis by deamination reaction and crystal structure at 120K of (16<i>Z</i>,19<i>E</i>)-18-oxo-<i>N</i>-(pyridin-2-yl)-6,7,9,10-tetrahydro-18<i>H</i>-dibenzo[<i>h</i>,<i>o</i>][1,4,7]trioxacyclohexadecine-17-carboxamide","Acta Crystallographica Section E","2020","76","9","1454","1457","10.1107/S2056989020010968","","","0.71073","MoKα","","0.1351","0.06","","","0.1326","0.1689","","","","","","0.966","","","","has coordinates,has Fobs","255342","2020-10-21","18:00:00",""
"2243542","15.3539","0.0009","12.5259","0.0007","20.2511","0.0012","90","","107.207","0.001","90","","3720.4","0.4","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(diphenylamido-κ<i>N</i>)bis(tetrahydrofuran-κ<i>O</i>)yttrium(III)","","- C44 H46 N3 O2 Y -","- C44 H46 N3 O2 Y -","- C176 H184 N12 O8 Y4 -","4","1","ZL2782","Palumbo, Chad T.; Kotyk, Christopher M.; Ziller, Joseph W.; Evans, William J.","Synthesis and crystallographic characterization of diphenylamide rare-earth metal complexes <i>Ln</i>(NPh~2~)~3~(THF)~2~ and [(Ph~2~N)~2~<i>Ln</i>(μ-NPh~2~)]~2~","Acta Crystallographica Section E","2020","76","9","1447","1453","10.1107/S2056989020009998","","","0.71073","MoKα","","0.0408","0.0313","","","0.0771","0.0812","","","","","","1.035","","","","has coordinates,has Fobs","255343","2020-10-21","18:00:00",""
"2243543","12.0946","0.0005","19.1086","0.0008","16.3609","0.0007","90","","91.3697","0.0005","90","","3780.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(diphenylamido-κ<i>N</i>)bis(tetrahydrofuran-κ<i>O</i>)erbium(III)","","- C44 H46 Er N3 O2 -","- C44 H46 Er N3 O2 -","- C176 H184 Er4 N12 O8 -","4","1","ZL2782","Palumbo, Chad T.; Kotyk, Christopher M.; Ziller, Joseph W.; Evans, William J.","Synthesis and crystallographic characterization of diphenylamide rare-earth metal complexes <i>Ln</i>(NPh~2~)~3~(THF)~2~ and [(Ph~2~N)~2~<i>Ln</i>(μ-NPh~2~)]~2~","Acta Crystallographica Section E","2020","76","9","1447","1453","10.1107/S2056989020009998","","","0.71073","MoKα","","0.0225","0.0194","","","0.0488","0.0504","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","255343","2020-10-21","18:00:00",""
"2243544","9.2776","0.0005","22.5591","0.0013","13.4791","0.0008","90","","91.4966","0.0009","90","","2820.1","0.3","88","2","88","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[μ-1κ<i>N</i>:2(η^6^)-diphenylamido]bis[bis(diphenylamido-κ<i>N</i>)yttrium(III)]","","- C72 H60 N6 Y2 -","- C72 H60 N6 Y2 -","- C144 H120 N12 Y4 -","2","0.5","ZL2782","Palumbo, Chad T.; Kotyk, Christopher M.; Ziller, Joseph W.; Evans, William J.","Synthesis and crystallographic characterization of diphenylamide rare-earth metal complexes <i>Ln</i>(NPh~2~)~3~(THF)~2~ and [(Ph~2~N)~2~<i>Ln</i>(μ-NPh~2~)]~2~","Acta Crystallographica Section E","2020","76","9","1447","1453","10.1107/S2056989020009998","","","0.71073","MoKα","","0.0447","0.0315","","","0.0655","0.0697","","","","","","1.03","","","","has coordinates,has Fobs","255343","2020-10-21","18:00:00",""
"2243545","9.3068","0.0015","22.475","0.004","13.513","0.002","90","","91.266","0.002","90","","2825.8","0.8","88","2","88","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[μ-1κ<i>N</i>:2(η^6^)-diphenylamido]bis[bis(diphenylamido-κ<i>N</i>)dysprosium(III)]","","- C72 H60 Dy2 N6 -","- C72 H60 Dy2 N6 -","- C144 H120 Dy4 N12 -","2","0.5","ZL2782","Palumbo, Chad T.; Kotyk, Christopher M.; Ziller, Joseph W.; Evans, William J.","Synthesis and crystallographic characterization of diphenylamide rare-earth metal complexes <i>Ln</i>(NPh~2~)~3~(THF)~2~ and [(Ph~2~N)~2~<i>Ln</i>(μ-NPh~2~)]~2~","Acta Crystallographica Section E","2020","76","9","1447","1453","10.1107/S2056989020009998","","","0.71073","MoKα","","0.0331","0.0255","","","0.0611","0.0652","","","","","","1.046","","","","has coordinates,has Fobs","255343","2020-10-21","18:00:00",""
"2243546","12.8857","0.0008","13.6846","0.0009","13.7411","0.0009","61.3447","0.0008","82.7796","0.001","83.0804","0.001","2104.4","0.2","88","2","88","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-diphenylamido-κ^2^<i>N</i>:<i>N</i>)bis[μ-1κ<i>N</i>:2(η^6^)-diphenylamido]tetrakis(diphenylamido-κ<i>N</i>)di-μ~3~-oxido-tetraerbium(III) benzene disolvate","","- C108 H92 Er4 N8 O2 -","- C108 H92 Er4 N8 O2 -","- C108 H92 Er4 N8 O2 -","1","0.5","ZL2782","Palumbo, Chad T.; Kotyk, Christopher M.; Ziller, Joseph W.; Evans, William J.","Synthesis and crystallographic characterization of diphenylamide rare-earth metal complexes <i>Ln</i>(NPh~2~)~3~(THF)~2~ and [(Ph~2~N)~2~<i>Ln</i>(μ-NPh~2~)]~2~","Acta Crystallographica Section E","2020","76","9","1447","1453","10.1107/S2056989020009998","","","0.71073","MoKα","","0.0317","0.0273","","","0.0612","0.0624","","","","","","0.963","","","","has coordinates,has Fobs","255343","2020-10-21","18:00:00",""
"2243547","16.807","0.0008","14.4212","0.0006","15.5669","0.0009","90","","118.744","0.004","90","","3308.1","0.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(<i>N</i>,<i>N</i>'-dimethylthiourea-κ<i>S</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C8 H16 Co N6 S4 -","- C8 H16 Co N6 S4 -","- C64 H128 Co8 N48 S32 -","8","1","TX2032","Jochim, Aleksej; Radulovic, Rastko; Jess, Inke; Näther, Christian","Crystal structure of bis(<i>N</i>,<i>N</i>'-dimethylthiourea-κ<i>S</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2020","76","9","1476","1481","10.1107/S2056989020011111","","","0.71073","MoKα","","0.0454","0.0391","","","0.1013","0.1054","","","","","","1.067","","","","has coordinates,has Fobs","255476","2020-10-21","18:00:00",""
"2243548","7.6402","0.0002","13.7578","0.0003","16.7691","0.0003","90","","101.162","0.001","90","","1729.3","0.07","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,15-Dimethyl-7,12-diazoniatricyclo[10.4.0.0^2,7^]hexadeca-1(12),2,4,6,13,15-hexaene dibromide monohydrate","","- C16 H22 Br2 N2 O -","- C16 H22 Br2 N2 O -","- C64 H88 Br8 N8 O4 -","4","1","EX2036","Behrman, Edward J.; Hansen, Alexandar L.; Yuan, Chunhua; Parkin, Sean","4,15-Dimethyl-7,12-diazoniatricyclo[10.4.0.0^2,7^]hexadeca-1(12),2,4,6,13,15-hexaene dibromide monohydrate","Acta Crystallographica Section E","2020","76","9","1467","1471","10.1107/S2056989020011147","","","0.71073","MoKα","","0.0256","0.0197","","","0.0412","0.0431","","","","","","1.055","","","","has coordinates,has Fobs","255477","2020-10-21","18:00:00",""
"2243549","24.798","0.003","4.7133","0.0004","11.533","0.0014","90","","106.751","0.009","90","","1290.8","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,7-Dimethyl-5a,6,11a,12-tetrahydrobenzo[<i>b</i>]benzo[5,6][1,4]oxazino[2,3-<i>e</i>][1,4]oxazine","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","0.5","YK2135","Çınar, Emine Berrin; Yeşilbağ, Semanur; Doğan, Onur Erman; Ağar, Erbil; Dege, Necmi; Saif, Eiad","Synthesis, crystal structure and Hirshfeld surface analysis of 1,7-dimethyl-5a,6,11a,12-tetrahydrobenzo[<i>b</i>]benzo[5,6][1,4]oxazino[2,3-<i>e</i>][1,4]oxazine","Acta Crystallographica Section E","2020","76","9","1472","1475","10.1107/S2056989020010646","","","0.71073","MoKα","","0.1182","0.0485","","","0.1096","0.1339","","","","","","0.884","","","","has coordinates,has Fobs","255478","2020-10-21","18:00:00",""
"2243550","12.9974","0.0009","13.9305","0.001","14.7162","0.001","106.143","0.003","93.254","0.002","99.819","0.002","2506.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[1,3-bis(2,6-dimethylphenyl)imidazolium] di-μ-chlorido-tetrachloridooctakis(μ-3,5-dimethylpyrazolato)hexa-μ~3~-hydroxido-nonacopper(II) chloroform disolvate","","- C80 H106 Cl12 Cu9 N20 O6 -","- C80 H106 Cl12 Cu9 N20 O6 -","- C80 H106 Cl12 Cu9 N20 O6 -","1","0.5","HB7934","Dodds, Christopher A.; Kennedy, Alan R.","Formation of a nonanuclear copper(II) cluster with 3,5-dimethylpyrazolate starting from an NHC complex of copper(I) chloride","Acta Crystallographica Section E","2020","76","9","1486","1490","10.1107/S2056989020011275","","","0.71073","MoKα","","0.0541","0.0477","","","0.1305","0.1372","","","","","","1.041","","","","has coordinates,has Fobs","255589","2020-10-21","18:00:00",""
"2243551","12.2315","0.0012","4.2432","0.0007","6.3039","0.0001","90","","96.727","0.007","90","","324.92","0.06","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Thallium(I) <i>catena</i>-polyphosphate","","- O3 P Tl -","- O3 P Tl -","- O12 P4 Tl4 -","4","1","HB7938","Weil, Matthias","TlPO~3~ and its comparison with isotypic RbPO~3~ and CsPO~3~","Acta Crystallographica Section E","2020","76","9","1482","1485","10.1107/S2056989020011238","","","0.71073","MoKα","","0.0422","0.0273","","","0.0514","0.054","","","","","","0.992","","","","has coordinates,has Fobs","255590","2020-10-21","18:00:00",""
"2243552","7.2986","0.0001","5.8504","0.0001","29.7783","0.0005","90","","94.525","0.001","90","","1267.56","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3'-Cyano-4-methylchalcone","2-[3-(4-Methylphenyl)prop-2-enoyl]benzonitrile","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","TX2030","Battaglia, Zachary O.; Kersten, Jordan T.; Nicol, Elise M.; Whitworth, Paloma; Wheeler, Kraig A.; Hall, Charlie L.; Potticary, Jason; Hamilton, Victoria; Hall, Simon R.; D'Ambruoso, Gemma D.; Matsumoto, Masaomi; Warren, Stephen D.; Cremeens, Matthew E.","Crystal structure and Hirshfeld analysis of 3'-bromo-4-methylchalcone and 3'-cyano-4-methylchalcone","Acta Crystallographica Section E","2020","76","9","1496","1502","10.1107/S2056989020011135","","x-ray","1.54178","CuKα","","0.0371","0.0327","","","0.0842","0.0874","","","","","","1.032","","","","has coordinates,has Fobs","255656","2020-10-21","18:00:00",""
"2243553","5.9282","0.0006","7.3614","0.0008","14.6747","0.0016","88.532","0.003","82.199","0.003","87.457","0.003","633.73","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","3'-Bromo-4-methylchalcone","1-(2-Bromophenyl)-3-(4-methylphenyl)prop-2-en-1-one","","- C16 H13 Br O -","- C16 H13 Br O -","- C32 H26 Br2 O2 -","2","1","","Battaglia, Zachary O.; Kersten, Jordan T.; Nicol, Elise M.; Whitworth, Paloma; Wheeler, Kraig A.; Hall, Charlie L.; Potticary, Jason; Hamilton, Victoria; Hall, Simon R.; D'Ambruoso, Gemma D.; Matsumoto, Masaomi; Warren, Stephen D.; Cremeens, Matthew E.","Crystal structure and Hirshfeld analysis of 3'-bromo-4-methylchalcone and 3'-cyano-4-methylchalcone","Acta Crystallographica Section E","2020","76","9","1496","1502","10.1107/S2056989020011135","","x-ray","1.54178","CuKα","","0.0256","0.0255","","","0.065","0.0651","","","","","","1.094","","","","has coordinates,has Fobs","255656","2020-10-21","18:00:00",""
"2243554","11.8151","0.0005","12.6367","0.0006","6.4056","0.0003","90","","113.431","0.002","90","","877.52","0.07","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Silver zinc iron phosphate (1.64/1.64/1.36/3)","","- Ag1.64 Fe1.36 O12 P3 Zn1.64 -","- Ag1.64 Fe1.36 O12 P3 Zn1.64 -","- Ag6.56 Fe5.44 O48 P12 Zn6.56 -","4","0.5","PK2642","Khmiyas, Jamal; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Synthesis, crystal structure determination of a novel phosphate Ag~1.64~Zn~1.64~Fe~1.36~(PO~4~)~3~ with an alluaudite-like structure","Acta Crystallographica Section E","2020","76","9","1491","1495","10.1107/S2056989020011408","","","0.71073","MoKα","","0.0387","0.0237","","","0.0414","0.0443","","","","","","1.074","","","","has coordinates,has Fobs","255657","2020-10-21","18:00:00",""
"2243555","9.0732","0.0005","10.746","0.0006","11.5578","0.0006","92.373","0.004","102.383","0.005","112.703","0.005","1005.71","0.11","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","Dichlorido-1κ<i>Cl</i>,2κ<i>Cl</i>-(μ~2~-3,5-dimethyl-1<i>H</i>-pyrazolato-1κ<i>N</i>^2^:2κ<i>N</i>^1^)(3,5-dimethyl-1<i>H</i>-pyrazole-2κ<i>N</i>^2^){μ-2-[(2-hydroxyethyl)amino-1κ^2^<i>N</i>,<i>O</i>]ethanolato-1:2κ^2^<i>O</i>:<i>O</i>}dicopper(II)","","- C14 H25 Cl2 Cu2 N5 O2 -","- C14 H25 Cl2 Cu2 N5 O2 -","- C28 H50 Cl4 Cu4 N10 O4 -","2","1","ZQ2256","Vynohradov, Oleksandr S.; Pavlenko, Vadim A.; Safyanova, Inna S.; Znovjyak, Kateryna; Shova, Sergiu; Safarmamadov, Safarmamad M.","Crystal structure of dichlorido-1κ<i>Cl</i>,2κ<i>Cl</i>-(μ~2~-3,5-dimethyl-1<i>H</i>-pyrazolato-1κ<i>N</i>^2^:2κ<i>N</i>^1^)(3,5-dimethyl-1<i>H</i>-pyrazole-2κ<i>N</i>^2^){μ-2-[(2-hydroxyethyl)amino-1κ^2^<i>N</i>,<i>O</i>]ethanolato-1:2κ^2^<i>O</i>:<i>O</i>}dicopper(II)","Acta Crystallographica Section E","2020","76","9","1503","1507","10.1107/S2056989020011184","","x-ray","0.71073","MoKα","","0.0328","0.0266","","","0.0586","0.0613","","","","","","1.054","","","","has coordinates,has Fobs","255658","2020-10-21","18:00:00",""
"2243556","7.0614","0.0004","11.0738","0.0006","17.6541","0.001","90","","90","","90","","1380.49","0.13","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Aqua-κ<i>O</i>)(methanol-κ<i>O</i>)[<i>N</i>-(2-oxidobenzylidene)threoninato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)","","- C12 H17 Cu N O6 -","- C12 H17 Cu N O6 -","- C48 H68 Cu4 N4 O24 -","4","1","","Katsuumi, Natsuki; Onami, Yuika; Pradhan, Sayantan; Haraguchi, Tomoyuki; Akitsu, Takashiro","Crystal structure and Hirshfeld surface analysis of (aqua-κ<i>O</i>)(methanol-κ<i>O</i>)[<i>N</i>-(2-oxidobenzylidene)threoninato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)","Acta Crystallographica Section E","2020","76","9","1539","1542","10.1107/S2056989020011706","","","0.71073","MoKα","","0.0843","0.0281","","","0.0643","0.0965","","","","","","1.325","","","","has coordinates,has Fobs","255740","2020-10-21","18:00:00",""
"2243557","7.1048","0.0004","5.3003","0.0003","11.9035","0.0007","90","","111.225","0.005","90","","417.85","0.04","240","2","240","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Sodium propionate","Poly[(μ~5~-propanoato)sodium(I)]","","- C3 H5 Na O2 -","- C3 H5 Na O2 -","- C12 H20 Na4 O8 -","4","1","WM5573","Fábry, Jan; Samolová, Erika","Layered alkali propanoates <i>M</i>^+^(C~2~H~5~COO)^{-^}; <i>M</i>^+^ = Na^+^, K^+^, Rb^+^, Cs^+^","Acta Crystallographica Section E","2020","76","9","1508","1513","10.1107/S2056989020011469","","x-ray","1.54178","CuKα","","0.0594","0.0504","","","0.1341","0.1364","","","","4.13","4.13","3.6","","","","has coordinates,has Fobs","255741","2020-10-21","18:00:00",""
"2243558","3.907","0.0017","5.7872","0.0017","11.317","0.005","90","","94.03","0.02","90","","255.25","0.18","240","2","240","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Potassium propionate","Poly[(μ~5~-propanoato)potassium(I)]","","- C3 H5 K O2 -","- C3 H5 K O2 -","- C6 H10 K2 O4 -","2","0.5","WM5573","Fábry, Jan; Samolová, Erika","Layered alkali propanoates <i>M</i>^+^(C~2~H~5~COO)^{-^}; <i>M</i>^+^ = Na^+^, K^+^, Rb^+^, Cs^+^","Acta Crystallographica Section E","2020","76","9","1508","1513","10.1107/S2056989020011469","","x-ray","0.71073","MoKα","","0.0656","0.0505","","","0.0852","0.0872","","","","2.24","2.24","2.07","","","","has coordinates,has Fobs","255741","2020-10-21","18:00:00",""
"2243559","4.1538","0.0013","6.0008","0.0016","11.182","0.003","80.038","0.01","81.465","0.01","88.987","0.01","271.47","0.13","240","","240","2","","","","","","","","4","P -1","-P 1","2","Rubidium propionate","Poly[(μ~5~-propanoato)rubidium(I)]","","- C3 H5 O2 Rb -","- C3 H5 O2 Rb -","- C6 H10 O4 Rb2 -","2","1","WM5573","Fábry, Jan; Samolová, Erika","Layered alkali propanoates <i>M</i>^+^(C~2~H~5~COO)^{-^}; <i>M</i>^+^ = Na^+^, K^+^, Rb^+^, Cs^+^","Acta Crystallographica Section E","2020","76","9","1508","1513","10.1107/S2056989020011469","","x-ray","0.71073","MoKα","","0.0878","0.0467","","","0.0871","0.095","","","","1.61","1.61","1.36","","","","has coordinates,has Fobs","255741","2020-10-21","18:00:00",""
"2243560","4.4242","0.0001","6.2866","0.0002","21.4422","0.0008","90","","90","","90","","596.38","0.03","240","2","240","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Caesium propionate","Poly[(μ~5~-propanoato)caesium(I)]","","- C3 H5 Cs O2 -","- C3 H5 Cs O2 -","- C12 H20 Cs4 O8 -","4","1","WM5573","Fábry, Jan; Samolová, Erika","Layered alkali propanoates <i>M</i>^+^(C~2~H~5~COO)^{-^}; <i>M</i>^+^ = Na^+^, K^+^, Rb^+^, Cs^+^","Acta Crystallographica Section E","2020","76","9","1508","1513","10.1107/S2056989020011469","","x-ray","0.71073","MoKα","","0.0296","0.0271","","","0.0675","0.0685","","","","1.65","1.65","1.63","","","","has coordinates,has Fobs","255741","2020-10-21","18:00:00",""
"2243561","9.6333","0.0019","12.77","0.003","17.956","0.004","73.82","0.03","83.55","0.03","88.86","0.03","2107.8","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","Di-μ-oxido-bis{2,6-bis[(dimethylamino)methyl]phenyl-κ<i>C</i>^1^}tellurium(IV) bis[trichlorido(dimethyl sulfoxide-κ<i>S</i>)platinate(II)]","","- C28 H50 Cl6 N4 O4 Pd2 S2 Te2 -","- C28 H50 Cl6 N4 O4 Pd2 S2 Te2 -","- C56 H100 Cl12 N8 O8 Pd4 S4 Te4 -","2","1","HB7941","Gupta, Anand; Deka, Rajesh; Butcher, Ray J.; Singh, Harkesh B.","Structure of a diorganotelluroxonium(IV) cation, {[2,6-(CH~2~NMe~2~)~2~C~6~H~3~Te(μ-O)]~2~}^2+^, with the trichlorido(dimethyl sulfoxide)platinum(II) anion","Acta Crystallographica Section E","2020","76","9","1520","1524","10.1107/S2056989020011482","","","0.71073","MoKα","","0.0264","0.0222","","","0.0506","0.0516","","","","","","0.987","","","","has coordinates,has Fobs","255742","2020-10-21","18:00:00",""
"2243562","7.9047","0.0019","12.138","0.002","13.959","0.003","90","","94.67","0.008","90","","1334.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Aminopyridinium thiocyanate‒4-aminopyridine (1/1)","","- C11 H13 N5 S -","- C11 H13 N5 S -","- C44 H52 N20 S4 -","4","1","YK2137","Renugadevi, M.; Sinthiya, A.; Poomani, Kumaradhas; Suresh, Suganya","Crystal structure and Hirshfeld surface analysis of 4-aminopyridinium thiocyanate‒4-aminopyridine (1/1)","Acta Crystallographica Section E","2020","76","9","1535","1538","10.1107/S2056989020011445","","","0.71075","MoKα","","0.0671","0.0529","","","0.1387","0.1483","","","","","","1.031","","","","has coordinates,has Fobs","255743","2020-10-21","18:00:00",""
"2243563","7.9801","0.0004","12.2381","0.0005","13.3712","0.0007","90","","90.134","0.002","90","","1305.84","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tris(4,5-dihydrofuran-2-yl)methylsilane","","- C13 H18 O3 Si -","- C13 H18 O3 Si -","- C52 H72 O12 Si4 -","4","1","WM5561","Krupp, Anna; Barth, Eva Rebecca; Seymen, Rana; Strohmann, Carsten","Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane","Acta Crystallographica Section E","2020","76","9","1514","1519","10.1107/S2056989020011470","","x-ray","0.71073","MoKα","","0.0416","0.0346","","","0.0961","0.1011","","","","","","1.058","","","","has coordinates,has Fobs","255744","2020-10-21","18:00:00",""
"2243564","7.9801","0.0004","12.2381","0.0005","13.3712","0.0007","90","","90.134","0.002","90","","1305.84","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","b1135HAR","","","- C13 H18 O3 Si -","- C13 H18 O3 Si -","- C52 H72 O12 Si4 -","4","1","","Krupp, Anna; Barth, Eva Rebecca; Seymen, Rana; Strohmann, Carsten","Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane","Acta Crystallographica Section E","2020","76","9","1514","1519","10.1107/S2056989020011470","","x-ray","0.71073","MoKα","","0.0234","0.0234","","0.0171","0.0171","0.0171","","","","","","1.9368","","","","has coordinates,has disorder,has Fobs","255744","2020-10-21","18:00:00",""
"2243565","9.4936","0.0006","8.6802","0.0007","19.747","0.002","90","","99.743","0.004","90","","1603.8","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tris(4,5-dihydrofuran-2-yl)phenylsilane","","- C18 H20 O3 Si -","- C18 H20 O3 Si -","- C72 H80 O12 Si4 -","4","1","","Krupp, Anna; Barth, Eva Rebecca; Seymen, Rana; Strohmann, Carsten","Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane","Acta Crystallographica Section E","2020","76","9","1514","1519","10.1107/S2056989020011470","","x-ray","0.71073","MoKα","","0.0406","0.037","","","0.1019","0.105","","","","","","1.058","","","","has coordinates,has Fobs","255744","2020-10-21","18:00:00",""
"2243566","9.4936","0.0006","8.6802","0.0007","19.747","0.002","90","","99.743","0.004","90","","1603.8","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","B1807HAR","","","- C18 H20 O3 Si -","- C18 H20 O3 Si -","- C72 H80 O12 Si4 -","4","1","","Krupp, Anna; Barth, Eva Rebecca; Seymen, Rana; Strohmann, Carsten","Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane","Acta Crystallographica Section E","2020","76","9","1514","1519","10.1107/S2056989020011470","","x-ray","0.71073","MoKα","","0.0238","0.0238","","0.0208","0.0208","0.0208","","","","","","2.0711","","","","has coordinates,has disorder,has Fobs","255744","2020-10-21","18:00:00",""
"2243567","9.9759","0.0002","10.6052","0.0002","22.8535","0.0004","90","","90","","90","","2417.82","0.08","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-[(<i>E</i>)-2-(3,5-Dihydroxyphenyl)ethenyl]benzene-1,3-diol bis[(<i>S</i>)-pyrrolidin-1-ium-2-carboxylate] monohydrate","","- C24 H32 N2 O9 -","- C24 H32 N2 O9 -","- C96 H128 N8 O36 -","4","1","HB7935","Ouiyangkul, Passaporn; Saithong, Saowanit; Tantishaiyakul, Vimon","Syntheses and crystal structures of hydrated and anhydrous 1:2 cocrystals of oxyresveratrol and zwitterionic proline","Acta Crystallographica Section E","2020","76","9","1528","1534","10.1107/S2056989020011536","","","0.71073","MoKα","","0.0459","0.0439","","","0.1149","0.1167","","","","","","1.049","","","","has coordinates,has Fobs","255745","2020-10-21","18:00:00",""
"2243568","9.8293","0.0002","10.4915","0.0002","22.9863","0.0006","90","","90","","90","","2370.44","0.09","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-[(<i>E</i>)-2-(3,5-Dihydroxyphenyl)ethenyl]benzene-1,3-diol bis[(<i>S</i>)-pyrrolidin-1-ium-2-carboxylate]","","- C24 H30 N2 O8 -","- C24 H30 N2 O8 -","- C96 H120 N8 O32 -","4","1","HB7935","Ouiyangkul, Passaporn; Saithong, Saowanit; Tantishaiyakul, Vimon","Syntheses and crystal structures of hydrated and anhydrous 1:2 cocrystals of oxyresveratrol and zwitterionic proline","Acta Crystallographica Section E","2020","76","9","1528","1534","10.1107/S2056989020011536","","","0.71073","MoKα","","0.0473","0.0469","","","0.1332","0.1338","","","","","","1.088","","","","has coordinates,has Fobs","255745","2020-10-21","18:00:00",""
"2243569","11.985","0.0003","11.985","0.0003","52.4508","0.0014","90","","90","","90","","7534","0.3","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","Bis[(<i>R</i>,<i>R</i>)-1,2-(binaphthylphosphonito)ethane]dichloridoiron(II) dichloromethane disolvate","Bis{1,2-bis[12,14-dioxa-13-phosphapentacyclo[13.8.0.0^2,11^.0^3,8^.0^18,23^]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-yl]ethane}dichloridoiron(II) dichloromethane disolvate","","- C86 H60 Cl6 Fe O8 P4 -","- C86 H60 Cl6 Fe O8 P4 -","- C344 H240 Cl24 Fe4 O32 P16 -","4","0.5","HB7939","Rennie, Benjamin E.; Lough, Alan J.; Morris, Robert H.","Crystal structure of bis[(<i>R</i>,<i>R</i>)-1,2-(binaphthylphosphonito)ethane]dichloridoiron(II) dichloromethane disolvate","Acta Crystallographica Section E","2020","76","9","1525","1527","10.1107/S2056989020011160","","","1.54178","CuKα","","0.0494","0.0425","","","0.105","0.1098","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","255746","2020-10-21","18:00:00",""
"2243570","7.3925","0.0003","15.4082","0.0006","23.575","0.0009","90","","90","","90","","2685.31","0.18","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Methyl-2-{[(2-methyl-3-nitrophenyl)imino]methyl}phenol","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","1","ZL2794","Cinar, Emine Berrin; Faizi, Md. Serajul Haque; Yagci, Nermin Kahveci; Dogan, Onur Erman; Aydin, Alev Sema; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf","Crystal structure, Hirshfeld surface analysis and DFT studies of (<i>E</i>)-4-methyl-2-{[(2-methyl-3-nitrophenyl)imino]methyl}phenol","Acta Crystallographica Section E","2020","76","10","1551","1556","10.1107/S2056989020011652","","","0.71073","MoKα","","0.0781","0.0427","","","0.1114","0.1248","","","","","","1.035","","","","has coordinates,has Fobs","255918","2020-10-21","18:00:00",""
"2243571","8.173","0.0004","11.8143","0.0009","13.1721","0.0008","90","","90","","90","","1271.88","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-{[(2-Iodophenyl)imino]methyl}-6-methylphenol","","- C14 H12 I N O -","- C14 H12 I N O -","- C56 H48 I4 N4 O4 -","4","1","ZL2795","Kansiz, Sevgi; Agar, Tuggan; Dege, Necmi; Dogan, Onur Erman; Ahmed, Ruby; Saif, Eiad","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2-{[(2-iodophenyl)imino]methyl}-6-methylphenol","Acta Crystallographica Section E","2020","76","10","1595","1598","10.1107/S2056989020011974","","","0.71073","MoKα","","0.0444","0.0312","","","0.0598","0.0628","","","","","","0.92","","","","has coordinates,has Fobs","255919","2020-10-21","18:00:00",""
"2243572","5.7905","0.0003","9.7461","0.0005","10.172","0.0004","82.064","0.003","84.754","0.004","77.739","0.004","554.44","0.05","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","","1,1'-Bis{[4-(pyridin-2-yl)-1,2,3-triazol-1-yl]methyl}ferrocene","","- C26 H22 Fe N8 -","- C26 H22 Fe N8 -","- C26 H22 Fe N8 -","1","0.5","PK2645","Pokharel, Uttam R.; Naquin, Aaron P.; Brochon, Connor P.; Fronczek, Frank R.","Synthesis and crystal structure of 1,1'-bis{[4-(pyridin-2-yl)-1,2,3-triazol-1-yl]methyl}ferrocene, and its complexation with Cu^I^","Acta Crystallographica Section E","2020","76","10","1582","1586","10.1107/S2056989020011901","","","0.71073","MoKα","","0.0529","0.0407","","","0.093","0.0989","","","","","","1.062","","","","has coordinates,has Fobs","255920","2020-10-21","18:00:00",""
"2243573","17.251","0.001","5.6849","0.0003","17.3101","0.0011","90","","116.958","0.004","90","","1513.14","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-(4-Propyloxybenzylidene)benzo[<i>d</i>]thiazol-2-amine","","- C17 H16 N2 O S -","- C17 H16 N2 O S -","- C68 H64 N8 O4 S4 -","4","1","WM5582","Sheakh Mohamad, Ropak A.; Hamad, Wali M.; Aziz, Hashim J.; Dege, Necmi","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>-(4-propyloxybenzylidene)benzo[<i>d</i>]thiazol-2-amine","Acta Crystallographica Section E","2020","76","10","1591","1594","10.1107/S2056989020012128","","","0.71073","MoKα","","0.0805","0.0453","","","0.0882","0.099","","","","","","0.98","","","","has coordinates,has Fobs","255921","2020-10-21","18:00:00",""
"2243574","14.7856","0.0008","15.9841","0.0009","10.3188","0.0006","90","","99.21","0.004","90","","2407.2","0.2","100","","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3'-nitrochalcone","1-(3-Nitrophenyl)-3-phenylprop-2-en-1-one","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C120 H88 N8 O24 -","8","2","DX2030","Hall, Charlie L.; Hamilton, Victoria; Potticary, Jason; Cremeens, Matthew E.; Pridmore, Natalie E.; Sparkes, Hazel A.; D'ambruoso, Gemma D.; Warren, Stephen D.; Matsumoto, Masaomi; Hall, Simon R.","Crystal structures of three functionalized chalcones: 4'-dimethylamino-3-nitrochalcone, 3-dimethylamino-3'-nitrochalcone and 3'-nitrochalcone","Acta Crystallographica Section E","2020","76","10","1599","1604","10.1107/S2056989020011858","","","0.71073","MoKα","","0.1002","0.0493","","","0.1136","0.1411","","","","","","0.991","","","","has coordinates,has Fobs","255922","2020-10-21","18:00:00",""
"2243575","17.3171","0.0007","7.0708","0.0003","11.3487","0.0004","90","","90.761","0.003","90","","1389.48","0.1","100","","100.04","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4'-Dimethylamino,3-nitrochalcone","1-[4-(Dimethylamino)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","DX2030","Hall, Charlie L.; Hamilton, Victoria; Potticary, Jason; Cremeens, Matthew E.; Pridmore, Natalie E.; Sparkes, Hazel A.; D'ambruoso, Gemma D.; Warren, Stephen D.; Matsumoto, Masaomi; Hall, Simon R.","Crystal structures of three functionalized chalcones: 4'-dimethylamino-3-nitrochalcone, 3-dimethylamino-3'-nitrochalcone and 3'-nitrochalcone","Acta Crystallographica Section E","2020","76","10","1599","1604","10.1107/S2056989020011858","","","0.71073","MoKα","","0.0593","0.0428","","","0.1127","0.1228","","","","","","1.039","","","","has coordinates,has Fobs","255922","2020-10-21","18:00:00",""
"2243576","7.7552","0.0004","15.6998","0.0007","12.0525","0.0007","90","","100.668","0.003","90","","1442.09","0.13","200","","200.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3'-Nitro,4-dimethylaminochalcone","3-[3-(Dimethylamino)phenyl]-1-(3-nitrophenyl)prop-2-en-1-one","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","DX2030","Hall, Charlie L.; Hamilton, Victoria; Potticary, Jason; Cremeens, Matthew E.; Pridmore, Natalie E.; Sparkes, Hazel A.; D'ambruoso, Gemma D.; Warren, Stephen D.; Matsumoto, Masaomi; Hall, Simon R.","Crystal structures of three functionalized chalcones: 4'-dimethylamino-3-nitrochalcone, 3-dimethylamino-3'-nitrochalcone and 3'-nitrochalcone","Acta Crystallographica Section E","2020","76","10","1599","1604","10.1107/S2056989020011858","","","0.71073","MoKα","","0.0981","0.0493","","","0.1112","0.1325","","","","","","1.018","","","","has coordinates,has Fobs","255922","2020-10-21","18:00:00",""
"2243577","9.5632","0.0001","17.8067","0.0003","16.1958","0.0003","90","","103.463","0.001","90","","2682.18","0.07","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1'<i>S</i>,2'<i>S</i>,3<i>S</i>)-1'-Benzoyl-2'-(4-methoxyphenyl)-1-methyl-2',5',6',10b'-tetrahydro-1'<i>H</i>-spiro[indoline-3,3'-pyrrolo[2,1-<i>a</i>]isoquinolin]-2-one","","- C34 H30 N2 O3 -","- C34 H30 N2 O3 -","- C136 H120 N8 O12 -","4","1","TX2027","Selvaraj, Janet Priyavathani; Mary, Stella; Dhruba, Jyoti Boruah; Huidrom, Birkumar Singh; Panneerselvam, Yuvaraj; Piskala Subburaman, Kannan","Crystal structure of (1'<i>S</i>,2'<i>S</i>,3<i>S</i>)-1'-benzoyl-2'-(4-methoxyphenyl)-1-methyl-2',5',6',10b'-tetrahydro-1'<i>H</i>-spiro[indoline-3,3'-pyrrolo[2,1-<i>a</i>]isoquinolin]-2-one","Acta Crystallographica Section E","2020","76","10","1548","1550","10.1107/S2056989020010300","","","0.71073","MoKα","","0.0714","0.0527","","","0.1275","0.1443","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","255923","2020-10-21","18:00:00",""
"2243578","10.7318","0.0004","17.4541","0.0004","15.0082","0.0004","90","","92.055","0.001","90","","2809.44","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Triethylammonium hexabromidouranate(IV) dichloromethane monosolvate","","- C13 H34 Br6 Cl2 N2 U -","- C13 H34 Br6 Cl2 N2 U -","- C52 H136 Br24 Cl8 N8 U4 -","4","1","ZL2792","Deubner, Holger Lars; Koester, Marcel; von Haenisch, Carsten; Kraus, Florian","Synthesis and crystal structure of triethylammonium hexabromidouranate(IV) dichloromethane monosolvate","Acta Crystallographica Section E","2020","76","10","1587","1590","10.1107/S205698902001169X","","","0.71073","MoKα","","0.0302","0.0246","","","0.0573","0.0594","","","","","","1.044","","","","has coordinates","255924","2020-10-21","18:00:00",""
"2243579","13.307","0.0006","9.1782","0.0004","32.2298","0.0016","90","","100.251","0.002","90","","3873.5","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1'-{(1<i>E</i>,1'<i>E</i>)-[4,4'-(9<i>H</i>-Fluorene-9,9-diyl)bis(4,1-phenylene)]bis(azanylylidene)bis(methanylylidene)}bis(naphthalen-2-ol) dichlorobenzene monosolvate","","- C53 H36 Cl2 N2 O2 -","- C53 H36 Cl2 N2 O2 -","- C212 H144 Cl8 N8 O8 -","4","1","","Wodajo, Ayalew; Tskhovrebov, Alexander G.; Le, Tuan Anh; Kubasov, Alexey S.; Grishina, Maria M.; Krutius, Oleg N.; Khrustalev, Victor N.","Crystal structure of 1,1'-{(1<i>E</i>,1'<i>E</i>)-[4,4'-(9<i>H</i>-fluorene-9,9-diyl)bis(4,1-phenylene)]bis(azanylylidene)bis(methanylylidene)}bis(naphthalen-2-ol) dichlorobenzene monosolvate","Acta Crystallographica Section E","2020","76","10","1579","1581","10.1107/S2056989020012104","","","0.71073","MoKα","","0.0759","0.0526","","","0.1292","0.1397","","","","","","1.031","","","","has coordinates,has Fobs","255925","2020-10-21","18:00:00",""
"2243580","7.2407","0.001","11.8145","0.0003","13.062","0.002","90","","98.334","0.007","90","","1105.6","0.2","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dipotassium rubidium citrate monohydrate","Dipotassium rubidium citrate monohydrate","","- C6 H7 K2.108 O8 Rb0.892 -","- C6 H7 K2.107 O8 Rb0.893 -","- C24 H28 K8.428 O32 Rb3.572 -","4","1","HB7917","Cigler, Andrew J.; Kaduk, James A.","Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations","Acta Crystallographica Section E","2020","76","10","1566","1571","10.1107/S2056989020011846","powder diffraction","x-ray","0.70932","Kα~1,2~","","","","","","0.03327","","","","1.884","","","","","","","has coordinates","255926","2020-10-21","18:00:00",""
"2243581","7.2407","","11.8185","","13.0617","","90","","98.334","","90","","1105.94","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 K2 O8 Rb -","- C6 H7 K2 O8 Rb -","- C24 H28 K8 O32 Rb4 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations","Acta Crystallographica Section E","2020","76","10","1566","1571","10.1107/S2056989020011846","","","","","","","","","","","","","","","","","","","","","has coordinates","255926","2020-10-21","18:00:00",""
"2243582","7.2407","","11.81851","","13.06177","","90","","98.334","","90","","1105.95","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 K2 O8 Rb -","- C6 H7 K2 O8 Rb -","- C24 H28 K8 O32 Rb4 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations","Acta Crystallographica Section E","2020","76","10","1566","1571","10.1107/S2056989020011846","","","","","","","","","","","","","","","","","","","","","has coordinates","255926","2020-10-21","18:00:00",""
"2243583","7.2407","","11.81851","","13.06177","","90","","98.334","","90","","1105.95","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 K2 O8 Rb -","- C6 H7 K2 O8 Rb -","- C24 H28 K8 O32 Rb4 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations","Acta Crystallographica Section E","2020","76","10","1566","1571","10.1107/S2056989020011846","","","","","","","","","","","","","","","","","","","","","has coordinates","255926","2020-10-21","18:00:00",""
"2243584","7.3507","0.0005","11.8468","0.0004","13.2275","0.0012","90","","98.109","0.004","90","","1140.36","0.14","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","potassium dirubidium citrate monohydrate","Potassium dirubidium citrate monohydrate","","- C6 H7 K1.37 O8 Rb1.63 -","- C6 H7 K1.371 O8 Rb1.629 -","- C24 H28 K5.484 O32 Rb6.516 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations","Acta Crystallographica Section E","2020","76","10","1566","1571","10.1107/S2056989020011846","powder diffraction","x-ray","0.70932","Kα~1,2~","","","","","","0.03232","","","","1.851","","","","","","","has coordinates","255926","2020-10-21","18:00:00",""
"2243585","7.350692","","11.846841","","13.227547","","90","","98.1091","","90","","1140.37","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 K O8 Rb2 -","- C6 H7 K O8 Rb2 -","- C24 H28 K4 O32 Rb8 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations","Acta Crystallographica Section E","2020","76","10","1566","1571","10.1107/S2056989020011846","","","","","","","","","","","","","","","","","","","","","has coordinates","255926","2020-10-21","18:00:00",""
"2243586","7.350692","","11.846841","","13.227549","","90","","98.1091","","90","","1140.37","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 K O8 Rb2 -","- C6 H7 K O8 Rb2 -","- C24 H28 K4 O32 Rb8 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations","Acta Crystallographica Section E","2020","76","10","1566","1571","10.1107/S2056989020011846","","","","","","","","","","","","","","","","","","","","","has coordinates","255926","2020-10-21","18:00:00",""
"2243587","7.350692","","11.846841","","13.227549","","90","","98.1091","","90","","1140.37","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 K O8 Rb2 -","- C6 H7 K O8 Rb2 -","- C24 H28 K4 O32 Rb8 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray powder diffraction data and DFT calculations","Acta Crystallographica Section E","2020","76","10","1566","1571","10.1107/S2056989020011846","","","","","","","","","","","","","","","","","","","","","has coordinates","255926","2020-10-21","18:00:00",""
"2243588","19.9042","0.001","6.6243","0.0004","10.5636","0.0007","90","","90.819","0.004","90","","1392.68","0.14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5,5-Dichloro-6-hydroxydihydropyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C4 H4 Cl2 N2 O3 -","- C4 H4 Cl2 N2 O3 -","- C32 H32 Cl16 N16 O24 -","8","1","ZQ2257","Novikov, Anton P.; Ryagin, Sergey N.; Grigoriev, Mikhail S.; Safonov, Alexey V.; German, Konstantin E.","5,5-Dichloro-6-hydroxydihydropyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione: molecular and crystal structure, Hirshfeld surface analysis and the new route for synthesis with Mg(ReO~4~)~2~ as a new catalyst","Acta Crystallographica Section E","2020","76","10","1557","1561","10.1107/S2056989020011809","","","0.71073","MoKα","","0.0711","0.0419","","","0.0919","0.1029","","","","","","1.02","","","","has coordinates,has Fobs","255927","2020-10-21","18:00:00",""
"2243589","29.3802","0.0019","10.8106","0.0007","13.6002","0.0009","90","","91.214","0.003","90","","4318.7","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[η^5^-(<i>tert</i>-butoxycarbonyl)cyclopentadienyl]dichloridotitanium(IV)","","- C20 H26 Cl2 O4 Ti -","- C20 H26 Cl2 O4 Ti -","- C160 H208 Cl16 O32 Ti8 -","8","1","PK2643","McCarthy, Jackson S.; McMillen, Colin D.; Pienkos, Jared A.; Wagenknecht, Paul S.","Synthesis and characterization of a <i>tert-</i>butyl ester-substituted titanocene dichloride: ^<i>t^-BuOOC</i>Cp~2~TiCl~2~","Acta Crystallographica Section E","2020","76","10","1562","1565","10.1107/S2056989020011834","","","0.71073","MoKα","","0.072","0.0482","","","0.0869","0.1059","","","","","","1.163","","","","has coordinates,has Fobs","255928","2020-10-21","18:00:00",""
"2243590","7.1512","0.0003","7.1512","0.0003","6.3639","0.0003","90","","90","","120","","281.85","0.02","100.01","","100.01","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Thallium(I) iodide oxide","","- I O Tl3 -","- I O Tl3 -","- I2 O2 Tl6 -","2","0.0833333","PK2648","Albrecht, Ralf; Menning, Heinrich; Doert, Thomas; Ruck, Michael","Hydroflux synthesis and crystal structure of Tl~3~IO","Acta Crystallographica Section E","2020","76","10","1638","1640","10.1107/S2056989020012359","","","0.71073","MoKα","","0.0216","0.0176","","","0.0403","0.0413","","","","","","1.29","","","","has coordinates,has Fobs","256383","2020-10-21","18:00:00",""
"2243591","4.6928","0.0006","9.3881","0.0013","22.918","0.003","90","","91.646","0.003","90","","1009.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Melaminium cyanoacetate monohydrate","2,4,6-Triamino-1,3,5-triazin-1-ium cyanoacetate monohydrate","","- C6 H11 N7 O3 -","- C6 H11 N7 O3 -","- C24 H44 N28 O12 -","4","1","","Sigdel Regmi, Bhawani; Apblett, Allen; Powell, Douglas","Crystal structure of melaminium cyanoacetate monohydrate","Acta Crystallographica Section E","2020","76","10","1645","1648","10.1107/S2056989020012335","","","0.71073","MoKα","","0.0735","0.0472","","","0.1123","0.1258","","","","","","1.004","","","","has coordinates,has Fobs","256384","2020-10-21","18:00:00",""
"2243592","14.493","0.0007","8.8855","0.0003","26.6017","0.0011","90","","103.998","0.005","90","","3324","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Bis{μ-2-[bis(2-hydroxyethyl)amino]ethanolato}-1:2κ^4^<i>O</i>,<i>O</i>',\ <i>O</i>'':<i>O</i>;2:3κ^4^<i>O</i>:<i>O</i>,<i>O</i>',<i>O</i>''-\ bis(μ-3,5-dimethylpyrazolato)-1:2κ^2^<i>N</i>^1^:<i>N</i>^2^;\ 2:3<i>N</i>^1^:<i>N</i>^2^-tricopper(II) dibromide sesquihydrate","","- C22 H45 Br2 Cu3 N6 O7.5 -","- C22 H45 Br2 Cu3 N6 O7.5 -","- C88 H180 Br8 Cu12 N24 O30 -","4","0.5","DJ2014","Vynohradov, Oleksandr S.; Pavlenko, Vadim A.; Naumova, Dina D.; Partsevska, Sofiia V.; Shova, Sergiu; Safarmamadov, Safarmamad M.","Crystal structure of bis{μ-2-[bis(2-hydroxyethyl)amino]ethanolato}bis(μ-3,5-dimethylpyrazolato)tricopper(II) dibromide sesquihydrate","Acta Crystallographica Section E","2020","76","10","1641","1644","10.1107/S2056989020012323","","x-ray","0.71073","MoKα","","0.0513","0.0392","","","0.0976","0.1046","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","256385","2020-10-21","18:00:00",""
"2243593","10.12201","0.00005","10.12201","0.00005","10.12201","0.00005","90","","90","","90","","1037.05","0.009","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Hf1.5 K2 Ni0.5 O12 P3 -","- Hf1.5 K2 Ni0.5 O12 P3 -","- Hf6 K8 Ni2 O48 P12 -","4","0.333333","WM5581","Zhou, Liang; Butenko, Denys S.; Ogorodnyk, Ivan V.; Klyui, Nickolai I.; Zatovsky, Igor V.","Rietveld refinement of the langbeinite-type phosphate K~2~Ni~0.5~Hf~1.5~(PO~4~)~3~","Acta Crystallographica Section E","2020","76","10","1634","1637","10.1107/S2056989020012062","powder diffraction","","1.54187","CuKα","","3.21","","","","","","","","2.1","","","","","","","has coordinates,has Fobs","256386","2020-10-21","18:00:00",""
"2243594","7.4102","0.0006","24.629","0.002","18.446","0.001","90","","98.478","0.006","90","","3329.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Clozapinium hydrogen bis(3,5-dinitrobenzoate)","4-[6-Chloro-2,9-diazatricyclo[9.4.0.0^3,8^]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-10-yl]-1-methylpiperazin-1-ium 3,5-dinitrobenzoate‒3,5-dinitrobenzic acid (1/1)","","- C32 H27 Cl N8 O12 -","- C32 H27 Cl N8 O12 -","- C128 H108 Cl4 N32 O48 -","4","1","HB7944","Shaibah, Mohammed A. E.; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","A very short O—H···O hydrogen bond in the structure of clozapinium hydrogen bis(3,5-dinitrobenzoate)","Acta Crystallographica Section E","2020","76","10","1629","1633","10.1107/S2056989020012268","","","0.71073","MoKα","","0.1266","0.062","","","0.1141","0.1326","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","256387","2020-10-21","18:00:00",""
"2243595","10.0952","0.0004","13.0135","0.0006","13.5643","0.0005","74.429","0.005","75.671","0.005","78.309","0.006","1645.39","0.13","173","","173","","","","","","","","","3","P -1","-P 1","2","","Tris[4-(naphthalen-1-yl)phenyl]amine","","- C48 H33 N -","- C48 H33 N -","- C96 H66 N2 -","2","1","IS5556","Yano, Masafumi; Kashiwagi, Yukiyasu; Inada, Yoshinori; Hayashi, Yuki; Mitsudo, Koichi; Kubono, Koji","Crystal structure of tris[4-(naphthalen-1-yl)phenyl]amine","Acta Crystallographica Section E","2020","76","10","1649","1652","10.1107/S2056989020012529","","","0.71075","MoKα","","0.0776","0.0531","","","0.1129","0.1233","","","","","","1.038","","","","has coordinates,has Fobs","256558","2020-10-21","18:00:00",""
"2243596","11.153","0.003","6.8926","0.0015","14.6","0.003","90","","97.528","0.005","90","","1112.7","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Methyl 5-chloro-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxylate","","- C10 H8 Cl N O5 S -","- C10 H8 Cl N O5 S -","- C40 H32 Cl4 N4 O20 S4 -","4","1","PK2647","Shishkina, Svitlana V.; Petrushova, Lidiya A.; Burian, Kateryna O.; Fedosov, Andrii I.; Ukrainets, Igor V.","Methyl 5-chloro-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxylate: structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2020","76","10","1657","1660","10.1107/S2056989020012566","","","0.71073","MoKα","","0.1014","0.063","","","0.1323","0.1451","","","","","","1.053","","","","has coordinates,has Fobs","256559","2020-10-21","18:00:00",""
"2243597","5.7615","0.0004","9.7752","0.0008","10.6833","0.0009","90","","101.255","0.008","90","","590.11","0.08","190","2","190","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","6-Azido-6-deoxy-1,2-<i>O</i>-isopropylidene-α-<i>D</i>-glucofuranose","","- C9 H15 N3 O5 -","- C9 H15 N3 O5 -","- C18 H30 N6 O10 -","2","1","HB7940","Wood, Adam; Bernhardt, Paul V.; van Altena, Ian; Simone, Michela I.","Crystal structure of 6-azido-6-deoxy-1,2-<i>O</i>-isopropylidene-α-<small>D</small>-glucofuranose","Acta Crystallographica Section E","2020","76","10","1653","1656","10.1107/S2056989020012438","","x-ray","1.54184","CuKα","","0.0384","0.0361","","","0.0847","0.0864","","","","","","1.082","","","","has coordinates,has Fobs","256560","2020-10-21","18:00:00",""
"2243598","11.919","0.0005","4.5454","0.0002","24.3172","0.0009","90","","97.517","0.001","90","","1306.1","0.09","240","","240","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","potassium isobutyrate monohydrate","Poly[μ-aqua-bis(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i),<i>O</i>':<i>O</i>')dipotassium]","","- C8 H16 K2 O5 -","- C8 H16 K2 O5 -","- C32 H64 K8 O20 -","4","0.5","DJ2009","Fábry, Jan; Samolová, Erika","Crystal structure of poly[μ-aqua-bis(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')dipotassium]","Acta Crystallographica Section E","2020","76","10","1669","1674","10.1107/S2056989020012591","","x-ray","1.54178","CuKα","","0.0295","0.0284","","","0.0812","0.082","","","","2.52","2.52","2.48","","","","has coordinates,has Fobs","256648","2020-10-21","18:00:00",""
"2243599","8.9656","0.0005","12.506","0.0006","14.2311","0.0007","67.552","0.005","85.106","0.004","84.087","0.004","1465.06","0.14","250","0.1","250","0.1","","","","","","","","5","P -1","-P 1","2","","{<i>N</i>^1^,<i>N</i>^3^-Bis[(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methylidene]-2,2-dimethylpropane-1,3-diamine}bis(thiocyanato-κ<i>N</i>)iron(II)","","- C27 H28 Fe N10 S2 -","- C27 H28 Fe N10 S2 -","- C54 H56 Fe2 N20 S4 -","2","1","WM5580","Znovjyak, Kateryna; Seredyuk, Maksym; Malinkin, Sergey O.; Shova, Sergiu; Soliev, Lutfullo","Crystal structure of {<i>N</i>^1^,<i>N</i>^3^-bis[(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methylidene]-2,2-dimethylpropane-1,3-diamine}bis(thiocyanato-κ<i>N</i>)iron(II)","Acta Crystallographica Section E","2020","76","10","1661","1664","10.1107/S2056989020012608","","x-ray","0.71073","MoKα","","0.0461","0.0373","","","0.0774","0.0818","","","","","","1.034","","","","has coordinates,has Fobs","256651","2020-10-21","18:00:00",""
"2243600","6.6662","0.0002","19.5903","0.0007","23.4286","0.0008","90","","90","","90","","3059.61","0.18","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","calcium isobutyrate pentahydrate","<i>catena</i>-Poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-\ κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')calcium] 2-methylpropanoate dihydrate]","","- C8 H24 Ca O9 -","- C8 H24 Ca O9 -","- C64 H192 Ca8 O72 -","8","1","WM5584","Samolová, Erika; Fábry, Jan","Crystal structures of <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')calcium] 2-methylpropanoate dihydrate], <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')strontium] 2-methylpropanoate dihydrate] and <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')(calcium/strontium)] 2-methylpropanoate dihydrate]","Acta Crystallographica Section E","2020","76","10","1684","1688","10.1107/S2056989020012888","","x-ray","0.71073","MoKα","","0.0498","0.0389","","","0.078","0.0807","","","","2.11","2.11","1.99","","","","has coordinates,has Fobs","256795","2020-10-21","18:00:00",""
"2243601","6.8801","0.0003","19.752","0.0011","23.2734","0.0013","90","","90","","90","","3162.8","0.3","120","","120","","","","","","","","","4","C m c e","-C 2ac 2","64","strontium isobutyrate pentahydrate","<i>catena</i>-Poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-\ κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')strontium] 2-methylpropanoate dihydrate]","","- C8 H24 O9 Sr -","- C8 H24 O9 Sr -","- C64 H192 O72 Sr8 -","8","0.5","WM5584","Samolová, Erika; Fábry, Jan","Crystal structures of <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')calcium] 2-methylpropanoate dihydrate], <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')strontium] 2-methylpropanoate dihydrate] and <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')(calcium/strontium)] 2-methylpropanoate dihydrate]","Acta Crystallographica Section E","2020","76","10","1684","1688","10.1107/S2056989020012888","","x-ray","0.71073","MoKα","","0.0254","0.021","","","0.0543","0.0552","","","","1.87","1.87","1.79","","","","has coordinates,has Fobs","256795","2020-10-21","18:00:00",""
"2243602","6.7153","0.0003","19.6061","0.001","23.3498","0.0011","90","","90","","90","","3074.3","0.3","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","calcium strontium isobutyrate pentahydrate","<i>catena</i>-Poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-\ κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')(calcium/strontium)] 2-methylpropanoate dihydrate]","","- C8 H24 Ca0.794 O9 Sr0.206 -","- C8 H24 Ca0.7936 O9 Sr0.2064 -","- C64 H192 Ca6.3488 O72 Sr1.6512 -","8","1","WM5584","Samolová, Erika; Fábry, Jan","Crystal structures of <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')calcium] 2-methylpropanoate dihydrate], <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')strontium] 2-methylpropanoate dihydrate] and <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')(calcium/strontium)] 2-methylpropanoate dihydrate]","Acta Crystallographica Section E","2020","76","10","1684","1688","10.1107/S2056989020012888","","x-ray","0.71073","MoKα","","0.0373","0.0258","","","0.059","0.0615","","","","1.68","1.68","1.54","","","","has coordinates,has Fobs","256795","2020-10-21","18:00:00",""
"2243603","27.505","0.003","12.3814","0.0012","14.6346","0.0014","90","","99.999","0.003","90","","4908.1","0.9","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","Dimethyl 2,2'-[((2<i>S</i>,2'<i>S</i>)-2,2'-{[(2<i>S</i>,2'<i>S</i>)-1,1'-(6,6'-dimethyl-[1,1'-biphenyl]-2,2'-dicarbonyl)bis(pyrrolidine-1,2-diyl-2-carbonyl)]bis(azanediyl)}bis(3-phenylpropanoyl))bis(azanediyl)](2<i>S</i>,2'<i>S</i>)-dipropionate","","- C52 H60.5 N6 O10.25 -","- C52 H60.5 N6 O10.25 -","- C208 H242 N24 O41 -","4","1","VM2240","Nguyen, Xuan Tu; Le, Thuy Quynh; Bui Thi, Tra My; Mac, Dinh Hung; Bui, Thai Thanh Thu","Synthesis and crystal structure of peptide dimethyl biphenyl hybrid C~52~H~60~N~6~O~10~·0.25H~2~O","Acta Crystallographica Section E","2020","76","10","1675","1678","10.1107/S2056989020012931","","","0.71073","MoKα","","0.052","0.0381","","","0.0807","0.0862","","","","","","1.064","","","","has coordinates,has disorder","256796","2020-10-21","18:00:00",""
"2243604","13.2239","0.0007","15.3576","0.0008","17.1061","0.0008","90","","107.029","0.0017","90","","3321.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","{1-[(3,5-Bis{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzyl)amino]cyclopentyl}methanol monohydrate","","- C35 H53 N5 O2 -","- C35 H53 N5 O2 -","- C140 H212 N20 O8 -","4","1","IS5557","Stapf, Manuel; Seichter, Wilhelm; Mazik, Monika","Crystal structures of monohydrate and methanol solvate compounds of {1-[(3,5-bis{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzyl)amino]cyclopentyl}methanol","Acta Crystallographica Section E","2020","76","10","1679","1683","10.1107/S2056989020012554","","","0.71073","MoKα","","0.0614","0.0431","","","0.1045","0.1136","","","","","","1.025","","","","has coordinates,has Fobs","256797","2020-10-21","18:00:00",""
"2243605","12.1169","0.0004","13.238","0.0005","13.6258","0.0005","68.373","0.002","79.379","0.002","67.392","0.002","1873.32","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","{1-[(3,5-Bis{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzyl)amino]cyclopentyl}methanol methanol monosolvate","","- C36 H55 N5 O2 -","- C36 H55 N5 O2 -","- C72 H110 N10 O4 -","2","1","IS5557","Stapf, Manuel; Seichter, Wilhelm; Mazik, Monika","Crystal structures of monohydrate and methanol solvate compounds of {1-[(3,5-bis{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzyl)amino]cyclopentyl}methanol","Acta Crystallographica Section E","2020","76","10","1679","1683","10.1107/S2056989020012554","","","0.71073","MoKα","","0.1358","0.0649","","","0.1447","0.1841","","","","","","1.205","","","","has coordinates,has disorder,has Fobs","256797","2020-10-21","18:00:00",""
"2243614","8.4326","0.0006","31.778","0.002","8.468","0.0006","90","","110.052","0.002","90","","2131.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-[(4-Methylbenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C20 H25 Br N4 O S -","- C20 H25 Br N4 O S -","- C80 H100 Br4 N16 O4 S4 -","4","1","JY2001","Duruskari, Gulnara Sh.; Khalilov, Ali N.; Mammadova, Gunay Z.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Akobirshoeva, Anzurat A.; Maharramov, Abel M.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-[(4-methylbenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide <i>N</i>,<i>N</i>-dimethylformamide monosolvate","Acta Crystallographica Section E","2020","76","10","1694","1698","10.1107/S2056989020012712","","","0.71073","MoKα","","0.0678","0.0382","","","0.0765","0.087","","","","","","1.028","","","","has coordinates,has Fobs","256881","2020-10-21","18:00:00",""
"2243615","10.3647","0.0007","10.7781","0.0008","11.8303","0.0008","85.318","0.003","86.231","0.003","77.583","0.003","1284.79","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-acetato-tetrakis(μ~4~-<i>N</i>,2-dioxidobenzene-1-carboximidato)hexamethanoltetramanganese(III)nickel(II) methanol disolvate monohydrate","","- C40 H56 Mn4 N4 Ni O25 -","- C40 H56 Mn4 N4 Ni O25 -","- C40 H56 Mn4 N4 Ni O25 -","1","0.5","IS5558","Hall, Abigail J.; Zeller, Matthias; Zaleski, Curtis M.","Synthesis and crystal structure of a heterobimetallic nickel‒manganese 12-metallacrown-4 methanol disolvate monohydrate compound","Acta Crystallographica Section E","2020","76","11","1720","1724","10.1107/S205698902001316X","","","0.71073","MoKα","","0.0642","0.0495","","","0.1308","0.1372","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","258223","2020-10-21","18:00:00",""
"2243616","6.0378","0.0005","6.0378","0.0005","9.8133","0.0009","90","","90","","120","","309.82","0.05","301","2","301","2","","","","","","","","7","P 63 m c","P 6c -2c","186","","Barium cerium lutetium aluminosilicate nitride oxide","","- Al0.4 Ba1.8 Ce0.2 Lu2 N13.8 O0.2 Si7.6 -","- Al0.4 Ba1.8 Ce0.2 Lu2 N13.7998 O0.2002 Si7.6 -","- Al0.4 Ba1.8 Ce0.2 Lu2 N13.7998 O0.2002 Si7.6 -","1","0.0833333","RU2072","Simura, Rayko; Yamane, Hisanori","Lu-atom-ordered oxonitridoaluminosilicate Ba~0.9~Ce~0.1~LuAl~0.2~Si~3.8~N~6.9~O~0.1~","Acta Crystallographica Section E","2020","76","11","1708","1711","10.1107/S2056989020013158","","","0.71073","MoKα","","0.0228","0.022","","","0.0539","0.0548","","","","","","1.037","","","","has coordinates,has Fobs","258224","2020-10-21","18:00:00",""
"2243617","13.9881","0.0005","9.822","0.0004","9.7446","0.0004","90","","91.391","0.006","90","","1338.43","0.09","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[μ-1κ<i>S</i>:2κ<i>S</i>,2(η^2^)-<i>N</i>-(Prop-2-en-1-yl)piperidine-1-carbothioamide]μ-2κ<i>S</i>,2(η^2^):1κ<i>S</i>-<i>N</i>-(prop-2-en-1-yl)piperidine-1-carbothioamide]bis[(thiocyanato-κ<i>N</i>)copper(I)]","","- C20 H32 Cu2 N6 S4 -","- C20 H32 Cu2 N6 S4 -","- C40 H64 Cu4 N12 S8 -","2","0.5","YZ2001","Tanaka, Takeshi; Kashiwagi, Yukiyasu; Nakagawa, Masami","Crystal structure of bis[μ-<i>N</i>-(η^2^-prop-2-en-1-yl)piperidine-1-carbothioamide-κ^2^<i>S</i>:<i>S</i>]bis[(thiocyanato-κ<i>N</i>)copper(I)]","Acta Crystallographica Section E","2020","76","11","1712","1715","10.1107/S2056989020013146","","x-ray","0.71075","MoKα","","0.0583","0.0445","","","0.0931","0.0984","","","","","","1.081","","","","has coordinates,has Fobs","258225","2020-10-21","18:00:00",""
"2243618","7.0228","0.0004","7.0228","0.0004","17.4934","0.0015","90","","90","","120","","747.18","0.09","290","2","290","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Thallium magnesium trichloride","","- Cl3 Mg Tl -","- Cl3 Mg Tl -","- Cl18 Mg6 Tl6 -","6","0.25","HB7945","Onken, Drew R.; Perrodin, Didier; Vogel, Sven C.; Bourret, Edith D.; Moretti, Federico","The crystal structure of TlMgCl~3~ from 290K to 725K","Acta Crystallographica Section E","2020","76","11","1716","1719","10.1107/S2056989020013201","","","0.71073","MoKα","","0.0627","0.0466","","","0.1088","0.1125","","","","","","1.417","","","","has coordinates,has Fobs","258226","2020-10-21","18:00:00",""
"2243619","31.9834","0.0014","27.7358","0.0013","6.661","0.0004","90","","90","","90","","5908.9","0.5","113","2","113","2","","","","","","","","4","F d d 2","F 2 -2d","43","2,6-Bis(3-hydroxy-3-methylbut-1-yn-1-yl)pyridine monohydrate","4-[6-(3-Hydroxy-3-methylbut-1-yn-1-yl)pyridin-2-yl]-2-methylbut-3-yn-2-ol monohydrate","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C240 H304 N16 O48 -","16","1","IS5553","Koizumi, Take-aki; Takata, Toshikazu","Crystal structure of 2,6-bis(3-hydroxy-3-methylbut-1-yn-1-yl)pyridine monohydrate","Acta Crystallographica Section E","2020","76","11","1737","1740","10.1107/S2056989020013304","","x-ray","1.54184","CuKα","","0.0297","0.0294","","","0.081","0.0815","","","","","","1.037","","","","has coordinates,has Fobs","258297","2020-10-21","18:00:00",""
"2243620","7.0788","0.0005","24.6279","0.0016","10.584","0.0007","90","","91.059","0.001","90","","1844.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diazido[5-ethoxycarbonyl-2-(5-ethoxycarbonylpyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]gold(III)","","- C17 H16 Au N7 O4 -","- C17 H16 Au N7 O4 -","- C68 H64 Au4 N28 O16 -","4","1","YK2139","Levchenko, Volodymyr; Øien-Ødegaard, Sigurd; Wragg, David; Tilset, Mats","Crystal structure of (N^C) cyclometalated Au^III^ diazide at 100K","Acta Crystallographica Section E","2020","76","11","1725","1727","10.1107/S2056989020012955","","x-ray","0.71073","MoKα","","0.0249","0.0175","","","0.0342","0.0361","","","","","","1.093","","","","has coordinates,has Fobs","258298","2020-10-21","18:00:00",""
"2243621","8.79348","0.00019","27.8665","0.0005","10.2288","0.0003","90","","112.393","0.003","90","","2317.49","0.11","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Goniotamirenone C","6-(2-Chloro-1-hydroxy-2-phenylethyl)-2<i>H</i>-pyran-2-one","","- C13 H11 Cl O3 -","- C13 H11 Cl O3 -","- C104 H88 Cl8 O24 -","8","2","VM2241","Meesakul, Pornphimol; Richardson, Christopher; Laphookhieo, Surat; Pyne, Stephen G.","Synthesis and crystal structure of (±)-Goniotamirenone C","Acta Crystallographica Section E","2020","76","11","1728","1731","10.1107/S2056989020013298","","x-ray","0.71073","MoKα","","0.048","0.0395","","","0.0985","0.1025","","","","","","1.084","","","","has coordinates,has disorder","258299","2020-10-21","18:00:00",""
"2243622","9.8065","0.0003","16.6719","0.0004","37.2296","0.0009","90","","95.562","0.003","90","","6058.1","0.3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diammonium bis[tris(oxamide dioxime-κ^2^<i>N</i>,<i>N</i>')nickel(II)] bis[tris(oxalato-κ^2^<i>O</i><i>,O</i>')chromate(III)] 6.76-hydrate","","- C24 H57.53 Cr2 N26 Ni2 O42.76 -","- C24 H36 Cr2 N26 Ni2 O42.763 -","- C96 H144 Cr8 N104 Ni8 O171.052 -","4","1","WM5586","Mbiangué, Yves Alain; Bijvédé, Alfred; Kenfack Tsobnang, Patrice; Wenger, Emmanuel; Lecomte, Claude","Crystal structure of diammonium bis[tris(oxamide dioxime-κ^2^<i>N</i>,<i>N</i>')nickel(II)] bis[tris(oxalato-κ^2^<i>O</i>,<i>O</i>')chromate(III)] 6.76-hydrate","Acta Crystallographica Section E","2020","76","11","1732","1736","10.1107/S2056989020013390","","","1.54184","CuKα","","0.0654","0.0596","","","0.1715","0.1778","","","","","","1.057","","","","has coordinates,has Fobs","258300","2020-10-21","18:00:00",""
"2243623","14.894","0.0015","35.155","0.004","5.9513","0.0006","90","","100.987","0.002","90","","3059","0.6","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,6-Bis(3,5-di-<i>p</i>-tolylpyrrol-2-yl)pyridine","2,6-Bis[3,5-bis(4-methylphenyl)pyrrol-2-yl]pyridine","","- C41 H35 N3 -","- C41 H35 N3 -","- C164 H140 N12 -","4","1","ZL2799","Dias, H. V. Rasika; Pramanik, Abhijit","Nickel(II) carbonyl, ammonia, and acetonitrile complexes supported by a pyridine dipyrrolide pincer ligand","Acta Crystallographica Section E","2020","76","11","1741","1747","10.1107/S2056989020013341","","","0.71073","MoKα","","0.1194","0.0759","","","0.1635","0.1817","","","","","","1.064","","","","has coordinates,has Fobs","258301","2020-10-21","18:00:00",""
"2243624","6.6482","0.0004","27.1709","0.0018","9.1322","0.0006","90","","101.07","0.0012","90","","1618.92","0.18","100","2","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","[2,2'-(Pyridin-2,6-diyl)bis(3,5-di-<i>p</i>-tolylpyrrolido-κ<i>N</i>)]carbonylnickel(II)","Carbonyl{2,2'-(pyridine-2,6-diyl)bis[3,5-bis(4-methylphenyl)pyrrolido-κ<i>N</i>]}nickel(II)","","- C42 H33 N3 Ni O -","- C42 H33 N3 Ni O -","- C84 H66 N6 Ni2 O2 -","2","0.5","","Dias, H. V. Rasika; Pramanik, Abhijit","Nickel(II) carbonyl, ammonia, and acetonitrile complexes supported by a pyridine dipyrrolide pincer ligand","Acta Crystallographica Section E","2020","76","11","1741","1747","10.1107/S2056989020013341","","","0.71073","MoKα","","0.068","0.0496","","","0.1123","0.1192","","","","","","1.068","","","","has coordinates,has Fobs","258301","2020-10-21","18:00:00",""
"2243625","15.9773","0.0006","14.9441","0.0005","14.3238","0.0005","90","","107.814","0.0008","90","","3256.1","0.2","100","2","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ammine[2,2'-(pyridine-2,6-diyl)bis(3,5-di-<i>p</i>-tolylpyrrolido-κ<i>N</i>)]nickel(II)","Ammine{2,2'-(pyridine-2,6-diyl)bis[3,5-bis(4-methylphenyl)pyrrolido-κ<i>N</i>]}nickel(II)","","- C41 H36 N4 Ni -","- C41 H36 N4 Ni -","- C164 H144 N16 Ni4 -","4","1","","Dias, H. V. Rasika; Pramanik, Abhijit","Nickel(II) carbonyl, ammonia, and acetonitrile complexes supported by a pyridine dipyrrolide pincer ligand","Acta Crystallographica Section E","2020","76","11","1741","1747","10.1107/S2056989020013341","","","0.71073","MoKα","","0.0444","0.0356","","","0.0929","0.0981","","","","","","1.053","","","","has coordinates,has Fobs","258301","2020-10-21","18:00:00",""
"2243626","11.2735","0.0016","14.1802","0.0019","14.688","0.002","67.162","0.002","68.881","0.002","80.665","0.002","2017.9","0.5","100","2","99.98","","","","","","","","","4","P -1","-P 1","2","(Acetonitrile-κ<i>N</i>)[2,2'-(pyridine-2,6-diyl)bis(3,5-di-<i>p</i>-tolylpyrrolido-κ<i>N</i>)]nickel(II)","(Acetonitrile-κ<i>N</i>){2,2'-(pyridine-2,6-diyl)bis[3,5-bis(4-methylphenyl)pyrrolido-κ<i>N</i>]}nickel(II)","","- C49 H50 N4 Ni -","- C49 H50 N4 Ni -","- C98 H100 N8 Ni2 -","2","1","","Dias, H. V. Rasika; Pramanik, Abhijit","Nickel(II) carbonyl, ammonia, and acetonitrile complexes supported by a pyridine dipyrrolide pincer ligand","Acta Crystallographica Section E","2020","76","11","1741","1747","10.1107/S2056989020013341","","","0.71073","MoKα","","0.0897","0.0679","","","0.1785","0.1927","","","","","","1","","","","has coordinates,has disorder,has Fobs","258301","2020-10-21","18:00:00",""
"2243627","5.0789","0.0004","8.0801","0.0006","20.8682","0.0019","92.481","0.007","91.984","0.007","94.253","0.006","852.62","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","5-Hydroxy-3,6,7,8-tetramethoxyflavone","5-Hydroxy-3,6,7,8-tetramethoxy-2-phenyl-4<i>H</i>-chromen-4-one","","- C19 H18 O7 -","- C19 H18 O7 -","- C38 H36 O14 -","2","1","ZN2001","Aisa, Haji Akber; Izotova, Lidiya; Karimov, Abdurashid; Botirov, Erkin; Mamadrahimov, Azimjon; Ibragimov, Bahtiyar","Crystal, molecular structure and Hirshheld surface analysis of 5-hydroxy-3,6,7,8-tetramethoxyflavone","Acta Crystallographica Section E","2020","76","11","1748","1751","10.1107/S2056989020013596","","","1.54184","CuKα","","0.0778","0.0562","","","0.1528","0.1738","","","","","","1.033","","","","has coordinates,has Fobs","258362","2020-10-21","18:00:00",""
"2243628","26.3412","0.0008","11.427","0.0003","8.6226","0.0003","90","","90.465","0.003","90","","2595.32","0.14","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Aquadichlorido{1,1'-[(pyridine-2,6-diyl-κ<i>N</i>)bis(methylene)]bis(4-butyl-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione-κ<i>N</i>^2^)}cobalt(II)","","- C19 H29 Cl2 Co N7 O S2 -","- C19 H29 Cl2 Co N7 O S2 -","- C76 H116 Cl8 Co4 N28 O4 S8 -","4","0.5","JY2002","Miecznikowski, John R.; Jasinski, Jerry P.; Ostrowski, Tyler J.; Landy, Kendra R.; Bonitatibus, Sheila C.; Smolinsky, Allison N.; Bertolotti, Natalia R.","Crystal structure and spectroscopic properties of aquadichlorido{1,1'-[(pyridine-2,6-diyl-κ<i>N</i>)bis(methylene)]bis(4-butyl-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione-κ<i>N</i>^2^)}cobalt(II)","Acta Crystallographica Section E","2020","76","11","1757","1761","10.1107/S2056989020013547","","","1.54184","CuKα","","0.108","0.0819","","","0.2086","0.235","","","","","","1.066","","","","has coordinates,has Fobs","258449","2020-10-21","18:00:00",""
"2243629","8.9213","0.001","10.0759","0.0012","9.101","0.0011","90","","99.983","0.002","90","","805.7","0.16","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-(Trifluoromethyl)picolinic acid monohydrate","5-(Trifluoromethyl)pyridine-2-carboxylic acid monohydrate","","- C7 H6 F3 N O3 -","- C7 H6 F3 N O3 -","- C28 H24 F12 N4 O12 -","4","1","DJ2015","Ye, Naike; Tanski, Joseph M.","The crystal structure of 5-(trifluoromethyl)picolinic acid monohydrate reveals a water-bridged hydrogen-bonding network","Acta Crystallographica Section E","2020","76","11","1752","1756","10.1107/S2056989020013523","","","0.71073","MoKα","","0.0402","0.0342","","","0.0968","0.1025","","","","","","1.069","","","","has coordinates,has Fobs","258450","2020-10-21","18:00:00",""
"2243640","14.4554","0.0004","8.5865","0.0002","24.8055","0.0008","90","","99.209","0.003","90","","3039.21","0.15","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2-picolinecoppercomplex","Dichlorido(methanol-κ<i>O</i>)bis(2-methylpyridine-κ<i>N</i>)copper(II)","","- C13 H18 Cl2 Cu N2 O -","- C13 H18 Cl2 Cu N2 O -","- C104 H144 Cl16 Cu8 N16 O8 -","8","1","YK2140","Reddy, J. Prakasha","Crystal structure and Hirshfeld surface analysis of dichlorido(methanol-κ<i>O</i>)bis(2-methylpyridine-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2020","76","11","1771","1774","10.1107/S2056989020014036","","","0.71073","MoKα","","0.0506","0.0381","","","0.0741","0.0805","","","","","","1.125","","","","has coordinates,has Fobs","258588","2020-10-24","04:09:36",""
"2243641","21.4112","0.0008","11.9708","0.0002","13.7726","0.0004","90","","128.316","0.007","90","","2769.7","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[gold(I)-μ-1,2-bis(diphenylphosphinothioyl)ethane-κ^2^<i>S</i>:<i>S</i>'] dibromidoaurate(I)]","","- C26 H24 Au2 Br2 P2 S2 -","- C26 H24 Au2 Br2 P2 S2 -","- C104 H96 Au8 Br8 P8 S8 -","4","0.5","EX2037","Taouss, Christina; Calvo, Marina; Jones, Peter G.","Crystal structure of the unusual coordination polymer <i>catena</i>-poly[[gold(I)-μ-1,2-bis(diphenylphosphinothioyl)ethane-κ^2^<i>S</i>:<i>S</i>'] dibromidoaurate(I)]","Acta Crystallographica Section E","2020","76","11","1768","1770","10.1107/S2056989020013675","","","1.54184","CuKα","","0.0235","0.0209","","","0.0518","0.0531","","","","","","1.055","","","","has coordinates,has Fobs","258589","2020-10-24","04:10:08",""
"2243642","7.2948","0.0003","7.1242","0.0003","16.8297","0.0007","90","","97.644","0.003","90","","866.86","0.06","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-{3-[(4-Methoxyphenyl)carbamoyl]phenyl}-3-nitrobenzamide","","- C21 H17 N3 O5 -","- C21 H17 N3 O5 -","- C42 H34 N6 O10 -","2","1","DJ2013","Moreno-Fuquen, Rodolfo; Hurtado-Angulo, Mario; Arango-Daraviña, Kevin; Bain, Gavin; Kennedy, Alan R.","Synthesis, crystal structure, Hirshfeld surface analysis, MEP study and molecular docking of <i>N</i>-{3-[(4-methoxyphenyl)carbamoyl]phenyl}-3-nitrobenzamide as a promising inhibitor of hfXa","Acta Crystallographica Section E","2020","76","11","1762","1767","10.1107/S2056989020013730","","","1.54184","CuKα","","0.0508","0.0472","","","0.1213","0.1257","","","","","","1.062","","","","has coordinates,has Fobs","258590","2020-10-24","04:10:31",""
"2243643","7.1046","0.0004","9.1467","0.0004","9.3833","0.0004","100.182","0.002","98.729","0.002","97.444","0.002","585.49","0.05","273","2","273","2","","","","","","","","4","P -1","-P 1","2","Bis{2-[(pyridin-2-yl)amino]pyridinium} tetracyanonickelate(II)","","","- C24 H20 N10 Ni -","- C24 H20 N10 Ni -","- C24 H20 N10 Ni -","1","0.5","HB7948","Setifi, Zouaoui; Ferjani, Hela; Setifi, Fatima; Ezzine, Safa; Al-Douh, Mohammed Hadi","Synthesis, crystal structure and Hirshfeld surface analysis of bis{2-[(pyridin-2-yl)amino]pyridinium} tetracyanonickelate(II)","Acta Crystallographica Section E","2020","76","11","1794","1798","10.1107/S205698902001419X","","","0.71073","MoKα","","0.0769","0.0475","","","0.1124","0.1342","","","","","","1.074","","","","has coordinates,has Fobs","258662","2020-10-31","05:25:02",""
"2243644","7.401","0.001","7.888","0.001","15.41","0.003","100.28","0.02","94.4","0.01","94.14","0.01","879.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-(2-Methoxyphenyl)piperazin-1-ium 4-chlorobenzoate","","- C18 H21 Cl N2 O3 -","- C18 H21 Cl N2 O3 -","- C36 H42 Cl2 N4 O6 -","2","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0971","0.0529","","","0.1115","0.1305","","","","","","1.013","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:43",""
"2243645","7.4313","0.0005","7.9163","0.0005","15.5212","0.0009","101.565","0.005","94.78","0.005","92.691","0.005","889.54","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-(2-Methoxyphenyl)piperazin-1-ium 4-bromobenzoate","","- C18 H21 Br N2 O3 -","- C18 H21 Br N2 O3 -","- C36 H42 Br2 N4 O6 -","2","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0559","0.043","","","0.1087","0.1151","","","","","","1.052","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:46",""
"2243646","7.1129","0.0004","11.2722","0.0007","12.5923","0.0008","69.852","0.005","74.681","0.005","79.121","0.005","908.82","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-(2-Methoxyphenyl)piperazin-1-ium 4-iodobenzoate","","- C18 H21 I N2 O3 -","- C18 H21 I N2 O3 -","- C36 H42 I2 N4 O6 -","2","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0347","0.0256","","","0.0609","0.0647","","","","","","1.02","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:49",""
"2243647","19.94","0.001","10.2705","0.0007","9.0148","0.0007","90","","109.663","0.008","90","","1738.5","0.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-(2-Methoxyphenyl)piperazin-1-ium 2-fluorobenzoate","","- C18 H21 F N2 O3 -","- C18 H21 F N2 O3 -","- C72 H84 F4 N8 O12 -","4","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0477","0.0364","","","0.0925","0.0996","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","258663","2020-10-31","05:27:50",""
"2243648","7.9974","0.0008","27.611","0.002","8.5972","0.0009","90","","106.4","0.01","90","","1821.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2-Methoxyphenyl)piperazin-1-ium 2-chlorobenzoate","","- C18 H21 Cl N2 O3 -","- C18 H21 Cl N2 O3 -","- C72 H84 Cl4 N8 O12 -","4","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.1082","0.067","","","0.1885","0.2161","","","","","","1.031","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:50",""
"2243649","6.9824","0.0002","13.2292","0.0004","19.4903","0.0007","90","","90","","90","","1800.35","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(2-Methoxyphenyl)piperazin-1-ium 2-bromobenzoate","","- C18 H21 Br N2 O3 -","- C18 H21 Br N2 O3 -","- C72 H84 Br4 N8 O12 -","4","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0626","0.0351","","","0.0723","0.0774","","","","","","0.939","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:50",""
"2243650","7.0101","0.0004","13.3796","0.0006","19.5524","0.0006","90","","90","","90","","1833.87","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(2-Methoxyphenyl)piperazin-1-ium 2-iodobenzoate","","- C18 H21 I N2 O3 -","- C18 H21 I N2 O3 -","- C72 H84 I4 N8 O12 -","4","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.046","0.0319","","","0.0656","0.0705","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","258663","2020-10-31","05:27:50",""
"2243651","7.826","0.001","10.32","0.002","12.055","0.003","78.37","0.02","78.27","0.02","73.83","0.02","904.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-(2-Methoxyphenyl)piperazin-1-ium 2-methylbenzoate","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C38 H48 N4 O6 -","2","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0674","0.0418","","","0.1082","0.1193","","","","","","1.062","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:50",""
"2243652","14.922","0.001","7.6951","0.0005","15.56","0.001","90","","106.911","0.008","90","","1709.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2-Methoxyphenyl)piperazin-1-ium 4-aminobenzoate","","- C18 H23 N3 O3 -","- C18 H23 N3 O3 -","- C72 H92 N12 O12 -","4","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0591","0.0389","","","0.1037","0.112","","","","","","1.096","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:50",""
"2243653","7.5174","0.0005","7.9761","0.0005","29.86","0.002","90","","97.322","0.006","90","","1775.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2-Methoxyphenyl)piperazin-1-ium 4-nitrobenzoate","","- C18 H21 N3 O5 -","- C18 H21 N3 O5 -","- C72 H84 N12 O20 -","4","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0602","0.0404","","","0.1025","0.1112","","","","","","1.031","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:51",""
"2243654","7.8448","0.0006","11.4635","0.0009","12.0747","0.0009","94.406","0.007","105.075","0.008","93.717","0.007","1041.33","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-(2-Methoxyphenyl)piperazin-1-ium 3,5-dinitrobenzoate dihydrate","","- C18 H24 N4 O9 -","- C18 H24 N4 O9 -","- C36 H48 N8 O18 -","2","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.052","0.0388","","","0.1024","0.1081","","","","","","1.064","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:51",""
"2243655","9.4151","0.0005","9.8721","0.0005","10.9572","0.0005","77.524","0.004","81.36","0.005","81.002","0.005","974.97","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-(2-Methoxyphenyl)piperazin-1-ium 2,4,6-trinitrophenolate","","- C17 H19 N5 O8 -","- C17 H19 N4.999 O7.998 -","- C34 H38 N9.998 O15.996 -","2","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0541","0.0404","","","0.1116","0.1187","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","258663","2020-10-31","05:27:51",""
"2243656","11.1076","0.0006","11.1164","0.0006","13.7649","0.0007","80.353","0.005","78.353","0.005","74.406","0.005","1591.76","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-(2-Methoxyphenyl)piperazin-1-ium hydrogen maleate","","- C15 H20 N2 O5 -","- C15 H20 N2 O5 -","- C60 H80 N8 O20 -","4","2","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0746","0.0416","","","0.1095","0.1209","","","","","","1.026","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:51",""
"2243657","7.8546","0.0004","8.9626","0.0006","11.2056","0.0008","79.043","0.005","87.715","0.005","85.84","0.005","772.15","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-(2-Methoxyphenyl)piperazin-1-ium hydrogen fumarate","","- C15 H20 N2 O5 -","- C15 H20 N2 O5 -","- C30 H40 N4 O10 -","2","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0464","0.0356","","","0.0977","0.1045","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","258663","2020-10-31","05:27:52",""
"2243658","7.479","0.001","7.065","0.001","17.788","0.003","90","","101.58","0.02","90","","920.8","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(2-Methoxyphenyl)piperazin-1-ium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate 1.698-hydrate","","- C15 H25.4 N2 O8.7 -","- C15 H25.396 N2 O8.698 -","- C30 H50.792 N4 O17.396 -","2","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0664","0.0393","","","0.0732","0.081","","","","","","0.967","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:52",""
"2243659","14.273","0.0013","12.7102","0.0012","3.7154","0.0003","90","","90","","90","","674.02","0.1","125","2","125","2","","","","","","","","5","P n a 21","P 2c -2n","33","CT2491C; 3-chloro-5-fluorosalicylaldehyde","3-Chloro-5-fluoro-2-hydroxybenzaldehyde","","- C7 H4 Cl F O2 -","- C7 H4 Cl F O2 -","- C28 H16 Cl4 F4 O8 -","4","1","PK2651","Triggs, Christopher T.; Tanski, Joseph M.","Crystallographic and spectroscopic characterization of 3-chloro-5-fluorosalicylaldehyde","Acta Crystallographica Section E","2020","76","12","1810","1812","10.1107/S2056989020014425","","","0.71073","MoKα","","0.0243","0.0231","","","0.0652","0.066","","","","","","1.068","","","","has coordinates,has Fobs","258721","2020-11-04","05:14:27",""
"2243660","18.623","0.004","4.8255","0.001","23.195","0.005","90","","112.96","0.03","90","","1919.3","0.8","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(2-(4-Bromobenzoyloxy)acetamide) 4-Bromo-benzoic acid carbamoylmethyl ester","2-Amino-2-oxoethyl 4-bromobenzoate","","- C9 H8 Br N O3 -","- C9 H8 Br N O3 -","- C72 H64 Br8 N8 O24 -","8","2","","Sapayev, F. A.; Okmanov, R. Ya.; Kholikov, T. S.; Tadjimukhamedov, Kh. S.; Tashkhodjaev, B.","Crystal structures of 2-amino-2-oxoethyl 4-bromobenzoate, 2-amino-2-oxoethyl 4-nitrobenzoate and 2-amino-2-oxoethyl 4-aminobenzoate monohydrate","Acta Crystallographica Section E","2020","76","12","1805","1809","10.1107/S2056989020014371","","","1.54184","CuKα","","0.0586","0.0493","","","0.1297","0.1384","","","","","","1.061","","","","has coordinates,has Fobs","258722","2020-11-04","05:15:32",""
"2243661","7.1238","0.0014","7.3683","0.0015","10.063","0.002","107.82","0.03","94.95","0.03","96.32","0.03","495.8","0.2","291","2","291","2","","","","","","","","4","P -1","-P 1","2","2-(4-Bitrobenzoyloxy)acetamide 4-Nitro-benzoic acid carbamoylmethyl ester","2-Amino-2-oxoethyl 4-nitrobenzoate","","- C9 H8 N2 O5 -","- C9 H8 N2 O5 -","- C18 H16 N4 O10 -","2","1","","Sapayev, F. A.; Okmanov, R. Ya.; Kholikov, T. S.; Tadjimukhamedov, Kh. S.; Tashkhodjaev, B.","Crystal structures of 2-amino-2-oxoethyl 4-bromobenzoate, 2-amino-2-oxoethyl 4-nitrobenzoate and 2-amino-2-oxoethyl 4-aminobenzoate monohydrate","Acta Crystallographica Section E","2020","76","12","1805","1809","10.1107/S2056989020014371","","","1.54184","CuKα","","0.0562","0.0496","","","0.1389","0.1475","","","","","","1.064","","","","has coordinates,has Fobs","258722","2020-11-04","05:15:32",""
"2243662","8.2431","0.0016","4.8088","0.001","26.754","0.005","90","","90.1","0.03","90","","1060.5","0.4","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(4-Aminobenzoyloxy)acetamide monohydrate 4-Aminobenzoic acid carbamoylmethyl ester monohydrate","2-Amino-2-oxoethyl 4-aminobenzoate monohydrate","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C36 H48 N8 O16 -","4","1","","Sapayev, F. A.; Okmanov, R. Ya.; Kholikov, T. S.; Tadjimukhamedov, Kh. S.; Tashkhodjaev, B.","Crystal structures of 2-amino-2-oxoethyl 4-bromobenzoate, 2-amino-2-oxoethyl 4-nitrobenzoate and 2-amino-2-oxoethyl 4-aminobenzoate monohydrate","Acta Crystallographica Section E","2020","76","12","1805","1809","10.1107/S2056989020014371","","","1.54184","CuKα","","0.1105","0.053","","","0.1149","0.1496","","","","","","0.994","","","","has coordinates,has Fobs","258722","2020-11-04","05:15:33",""
"2243663","9.3953","0.0005","11.7817","0.0006","9.8243","0.0005","90","","106.547","0.004","90","","1042.44","0.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bis[1-(prop-2-en-1-yl)-1<i>H</i>-imidazol-3-ium] hexachloridostannate(IV)","Bis[1-(prop-2-en-1-yl)-1<i>H</i>-imidazol-3-ium] hexachloridostannate(IV)","","- C12 H16 Cl6 N4 Sn -","- C12 H16.048 Cl6 N4 Sn -","- C24 H32.096 Cl12 N8 Sn2 -","2","0.5","VM2239","Ferjani, Hela","Crystal structure, optical property and Hirshfeld surface analysis of bis[1-(prop-2-en-1-yl)-1<i>H</i>-imidazol-3-ium] hexachloridostannate(IV)","Acta Crystallographica Section E","2020","76","10","1624","1628","10.1107/S2056989020012177","","","0.71073","MoKα","","0.057","0.0388","","","0.0789","0.0857","","","","","","1.137","","","","has coordinates,has disorder,has Fobs","259016","2020-11-06","23:24:38",""
"2243664","7.97","0.0014","7.97","0.0014","3.2034","0.0004","90","","90","","120","","176.22","0.05","293","2","293","2","","","","","","","","2","P -6","P -6","174","Cobalt phosphide","Dodecacobalt heptaphosphide","","- Co12 P7 -","- Co12 P7 -","- Co12 P7 -","1","0.166667","WM5583","Zurkowski, Claire; Lavina, Barbara; Chariton, Stella; Tkachev, Sergey; Prakapenka, Vitali; Campbell, Andrew","The novel high-pressure/high-temperature compound Co~12~P~7~ determined from synchrotron data","Acta Crystallographica Section E","2020","76","10","1665","1668","10.1107/S2056989020012657","","","0.29521","synchrotron","","0.0377","0.0369","","","0.0951","0.0957","","","","","","1.124","","","","has coordinates,has Fobs","259017","2020-11-06","23:25:30",""
"2243665","8.253","0.005","8.253","0.005","3.2902","0.0018","90","","90","","120","","194.1","0.2","293","2","293","2","","","","","","","","2","P -6","P -6","174","","","","- Co12 P7 -","- Co12 P7 -","- Co12 P7 -","1","0.166667","","Zurkowski, Claire; Lavina, Barbara; Chariton, Stella; Tkachev, Sergey; Prakapenka, Vitali; Campbell, Andrew","The novel high-pressure/high-temperature compound Co~12~P~7~ determined from synchrotron data","Acta Crystallographica Section E","2020","76","10","1665","1668","10.1107/S2056989020012657","","","0.3344","synchrotron","","0.0835","0.0533","","","0.0955","0.105","","","","","","1.111","","","","has coordinates,has Fobs","259017","2020-11-06","23:25:32",""
"2243666","8.0547","0.0006","18.7875","0.0014","8.966","0.0007","90","","102.53","0.006","90","","1324.49","0.18","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","I","<i>trans</i>-4,8-Dimethyl-1,10-dioxacyclotridec-5-ene-2,9-dione","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","MW2168","Rutledge, Kelli M.; Griesbach, Caleb; Mercado, Brandon Q.; Peczuh, Mark W.","Structures of three disubstituted [13]-macrodilactones reveal effects of substitution on macrocycle conformation","Acta Crystallographica Section E","2020","76","10","1617","1623","10.1107/S2056989020012037","","","0.71073","MoKα","","0.1009","0.0845","","","0.216","0.2303","","","","","","1.094","","","","has coordinates,has Fobs","259018","2020-11-06","23:28:06",""
"2243667","15.3128","0.0003","5.55594","0.00011","20.5689","0.0004","90","","95.7658","0.0018","90","","1741.09","0.06","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","II","<i>cis</i>-4-(4-Bromophenyl)-13-methyl-1,10-dioxacyclotridec-5-ene-2,9-dione","","- C18 H21 Br O4 -","- C18 H21 Br O4 -","- C72 H84 Br4 O16 -","4","1","MW2168","Rutledge, Kelli M.; Griesbach, Caleb; Mercado, Brandon Q.; Peczuh, Mark W.","Structures of three disubstituted [13]-macrodilactones reveal effects of substitution on macrocycle conformation","Acta Crystallographica Section E","2020","76","10","1617","1623","10.1107/S2056989020012037","","","1.54184","CuKα","","0.0273","0.0268","","","0.0614","0.0616","","","","","","1.101","","","","has coordinates,has Fobs","259018","2020-11-06","23:28:07",""
"2243668","11.2952","0.0008","20.9595","0.0015","6.684","0.0005","90","","90","","90","","1582.4","0.2","93","2","93","2","","","","","","","","3","P n a 21","P 2c -2n","33","III","<i>trans</i>-11-Methyl-4-phenyl-1,10-dioxacyclotridec-5-ene-2,9-dione","","- C18 H22 O4 -","- C18 H22 O4 -","- C72 H88 O16 -","4","1","MW2168","Rutledge, Kelli M.; Griesbach, Caleb; Mercado, Brandon Q.; Peczuh, Mark W.","Structures of three disubstituted [13]-macrodilactones reveal effects of substitution on macrocycle conformation","Acta Crystallographica Section E","2020","76","10","1617","1623","10.1107/S2056989020012037","","","0.71073","MoKα","","0.0545","0.0499","","","0.1228","0.1276","","","","","","1.149","","","","has coordinates,has Fobs","259018","2020-11-06","23:28:07",""
"2243669","13.5644","0.0005","20.3405","0.0007","17.4818","0.0008","90","","94.858","0.004","90","","4806","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl (<i>RS</i>)-2-[(4-bromophenyl)(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)methyl]propanedioate","","- C24 H25 Br N2 O5 -","- C24 H25 Br N2 O5 -","- C192 H200 Br8 N16 O40 -","8","2","ZL2798","Shreekanth, Tharangini K.; Yathirajan, Hemmige S.; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher","Order <i>versus</i> disorder in two isomorphous pyrazolone-substituted diethyl propanedioates prepared using a three-component one-pot reaction under solvent-free conditions","Acta Crystallographica Section E","2020","76","10","1605","1610","10.1107/S2056989020011676","","","0.71073","MoKα","","0.1229","0.0648","","","0.1363","0.1643","","","","","","1.025","","","","has coordinates,has Fobs","259019","2020-11-06","23:29:25",""
"2243670","13.5609","0.0008","20.28","0.001","17.728","0.001","90","","95.363","0.005","90","","4854.1","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl (<i>RS</i>)-2-[(4-chlorophenyl)(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)methyl]propanedioate","","- C24 H25 Cl N2 O5 -","- C24 H25 Cl N2 O5 -","- C192 H200 Cl8 N16 O40 -","8","2","ZL2798","Shreekanth, Tharangini K.; Yathirajan, Hemmige S.; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher","Order <i>versus</i> disorder in two isomorphous pyrazolone-substituted diethyl propanedioates prepared using a three-component one-pot reaction under solvent-free conditions","Acta Crystallographica Section E","2020","76","10","1605","1610","10.1107/S2056989020011676","","","0.71073","MoKα","","0.0999","0.0669","","","0.1695","0.1916","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","259019","2020-11-06","23:29:26",""
"2243671","7.7574","0.001","8.4763","0.001","14.3322","0.0019","90","","97.526","0.012","90","","934.3","0.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-Dimethoxybenzic acid.","","- C9 H10 O4 -","- C9 H10 O4 -","- C36 H40 O16 -","4","1","IS5548","Portalone, Gustavo","Crystal structure and Hirshfeld surface analysis of a third polymorph of 2,6-dimethoxybenzoic acid","Acta Crystallographica Section E","2020","76","12","1823","1826","10.1107/S2056989020014553","","","0.710689","MoKα","","0.1073","0.0486","","","0.1041","0.1317","","","","","","1.02","","","","has coordinates,has Fobs","259029","2020-11-07","05:17:26",""
"2243672","17.8114","0.0013","8.9398","0.0006","18.0245","0.0014","90","","100.524","0.003","90","","2821.8","0.4","188","2","188","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(<i>SP</i>-4-2)-<i>cis</i>-Bis[8-(dimethylphosphanyl)quinoline-κ^2^<i>N</i>,<i>P</i>]nickel(II) bis(perchlorate) nitromethane monosolvate","","- C23 H27 Cl2 N3 Ni O10 P2 -","- C23 H27 Cl2 N3 Ni O10 P2 -","- C92 H108 Cl8 N12 Ni4 O40 P8 -","4","1","PK2650","Mori, Masatoshi; Suzuki, Takayoshi","Comparison of molecular structures of <i>cis</i>-bis[8-(dimethylphosphanyl)quinoline]nickel(II) and -platinum(II) complex cations","Acta Crystallographica Section E","2020","76","12","1813","1817","10.1107/S2056989020014437","","","0.71075","MoKα","","0.051","0.0429","","","0.1119","0.1169","","","","","","1.047","","","","has coordinates,has Fobs","259030","2020-11-07","05:18:06",""
"2243673","7.9102","0.0003","21.0833","0.0005","16.7519","0.0004","90","","95.3931","0.0011","90","","2781.4","0.14","188","2","188","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(<i>SP</i>-4-2)-<i>cis</i>-Bis[8-(dimethylphosphanyl)quinoline-κ^2^<i>N</i>,<i>P</i>]platinum(II) bis(tetrafluoroborate) acetonitrile monosolvate","","- C24 H27 B2 F8 N3 P2 Pt -","- C24 H27 B2 F8 N3 P2 Pt -","- C96 H108 B8 F32 N12 P8 Pt4 -","4","1","PK2650","Mori, Masatoshi; Suzuki, Takayoshi","Comparison of molecular structures of <i>cis</i>-bis[8-(dimethylphosphanyl)quinoline]nickel(II) and -platinum(II) complex cations","Acta Crystallographica Section E","2020","76","12","1813","1817","10.1107/S2056989020014437","","","0.71075","MoKα","","0.0404","0.0325","","","0.0778","0.0835","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","259030","2020-11-07","05:18:07",""
"2243674","19.0586","0.0007","13.9627","0.0005","8.1459","0.0003","90","","101.78","0.0011","90","","2122.05","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 5-methyl-3-[11-(pyridin-2-yl)-6,11-dihydro-6,11-epoxydibenzo[<i>b</i>,<i>e</i>]oxepin-6-yl]isoxazole-4-carboxylate","","- C26 H20 N2 O5 -","- C26 H20 N2 O5 -","- C104 H80 N8 O20 -","4","1","HB7949","Weaver, Matthew J.; Campbell, Michael J.; Li, Chun; Natale, Nicholas R.","Ethyl 5-methyl-3-[11-(pyridin-2-yl)-6,11-dihydro-6,11-epoxydibenzo[<i>b</i>,<i>e</i>]oxepin-6-yl]isoxazole-4-carboxylate: a bicyclic acetal from the rearrangement of an anthracenyl isoxazole","Acta Crystallographica Section E","2020","76","12","1818","1822","10.1107/S2056989020014358","","","0.7288","synchrotron","","0.0734","0.0517","","","0.1322","0.1447","","","","","","1.053","","","","has coordinates,has Fobs","259031","2020-11-07","05:18:37",""
"2243675","9.6579","0.0019","11.798","0.002","12.216","0.002","100.95","0.03","109.41","0.03","111.12","0.03","1146.3","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Di-<i>tert</i>-butyl 2,2'-[(ethylazanediyl)bis(methylene)]bis(1<i>H</i>-pyrrole-1-carboxylate)","","- C22 H33 N3 O4 -","- C22 H33 N3 O4 -","- C44 H66 N6 O8 -","2","1","YZ2002","Kvyatkovskaya, Elizaveta A.; Atioğlu, Zeliha; Akkurt, Mehmet; Epifanova, Polina P.; Valchuk, Karina S.; Khrustalev, Victor N.; Bhattarai, Ajaya","Crystal structure and Hirshfeld analysis of di-<i>tert</i>-butyl 2,2'-[(ethylazanediyl)bis(methylene)]bis(1<i>H</i>-pyrrole-1-carboxylate)","Acta Crystallographica Section E","2020","76","12","1827","1831","10.1107/S2056989020014966","","","0.9699","synchrotron","","0.0885","0.0665","","","0.1586","0.1797","","","","","","1.04","","","","has coordinates,has Fobs","259138","2020-11-14","05:14:22",""
"2243676","15.768","0.005","4.7583","0.0015","17.316","0.006","90","","101.572","0.008","90","","1272.8","0.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(Furan-2-ylmethylidene)thiazolo[3,4-<i>a</i>]benzimidazole-1-thione","","- C14 H8 N2 O S2 -","- C14 H8 N2 O S2 -","- C56 H32 N8 O4 S8 -","4","1","WM5587","Khaldi, Hafsa; Djafri, Ahmed; Megrouss, Youcef; Khelloul, Nawel; Chouaih, Abdelkader; Djafri, Ayada","Molecular and crystal structure, Hirshfeld analysis and DFT investigation of 3-(furan-2-ylmethylidene)thiazolo[3,4-<i>a</i>]benzimidazole-1-thione","Acta Crystallographica Section E","2020","76","12","1832","1836","10.1107/S2056989020015017","","","0.71073","MoKα","","0.0707","0.0515","","","0.1033","0.1134","","","","","","0.963","","","","has coordinates,has Fobs","259139","2020-11-14","05:14:52",""
"2243677","13.2962","0.001","6.23","0.0004","12.9294","0.0011","90","","97.226","0.006","90","","1062.5","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Potassium 9,9-difluoro-10-oxa-9-boraphenanthren-9-ide","Potassium 6,6-difluoro-6<i>H</i>-dibenzo[<i>c</i>,<i>e</i>][1,2]oxaborinin-6-ide","","- C12 H8 B F2 K O -","- C12 H8 B F2 K O -","- C48 H32 B4 F8 K4 O4 -","4","1","HB7952","Budanow, Alexandra; Lerner, Hans-Wolfram; Bolte, Michael","Two salts of the 6,6-difluoro-6<i>H</i>-dibenzo[<i>c</i>,<i>e</i>][1,2]oxaborinin-6-ide anion with different cations","Acta Crystallographica Section E","2020","76","12","1837","1840","10.1107/S2056989020015066","","","0.71073","MoKα","","0.0342","0.0303","","","0.0805","0.0826","","","","","","1.057","","","","has coordinates,has Fobs","259160","2020-11-18","05:09:12",""
"2243678","10.3527","0.0004","13.5958","0.0005","23.4352","0.0009","86.218","0.003","78.916","0.003","87.104","0.003","3227.6","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","Bis(tetraphenylphosphonium) bis(9,9-difluoro-10-oxa-9-boraphenanthren-9-ide) acetonitrile trisolvate","Bis(tetraphenylphosphonium) 6,6-difluoro-6<i>H</i>-dibenzo[<i>c</i>,<i>e</i>][1,2]oxaborinin-6-ide acetonitrile trisolvate","","- C78 H65 B2 F4 N3 O2 P2 -","- C78 H65 B2 F4 N3 O2 P2 -","- C156 H130 B4 F8 N6 O4 P4 -","2","1","HB7952","Budanow, Alexandra; Lerner, Hans-Wolfram; Bolte, Michael","Two salts of the 6,6-difluoro-6<i>H</i>-dibenzo[<i>c</i>,<i>e</i>][1,2]oxaborinin-6-ide anion with different cations","Acta Crystallographica Section E","2020","76","12","1837","1840","10.1107/S2056989020015066","","","0.71073","MoKα","","0.0448","0.0413","","","0.1065","0.1088","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","259160","2020-11-18","05:09:13",""
"2243679","10.7245","0.0003","6.205","0.0003","15.1579","0.0005","90","","103.14","0.003","90","","982.28","0.06","200","2","200","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Bis(tetramethylthiourea-κ<i>S</i>)bis(thiocyanato-κ<i>N</i>)nickel(II)","","- C12 H24 N6 Ni S4 -","- C12 H24 N6 Ni S4 -","- C24 H48 N12 Ni2 S8 -","2","0.5","TX2033","Jochim, Aleksej; Radulovic, Rastko; Jess, Inke; Näther, Christian","Crystal structure of bis(tetramethylthiourea-κ<i>S</i>)bis(thiocyanato-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2020","76","12","1841","1845","10.1107/S2056989020015121","","","0.71073","MoKα","","0.0497","0.0384","","","0.0929","0.0981","","","","","","1.046","","","","has coordinates,has Fobs","259161","2020-11-18","05:09:43",""
"2243680","9.437","0.0004","9.5675","0.0005","19.1526","0.001","90.331","0.004","99.828","0.004","90.436","0.004","1703.79","0.15","295","1","295","1","","","","","","","","6","P -1","-P 1","2","Sodium diclofenac 3.5-hydrate","Tetra-μ-aqua-κ^8^<i>O</i>:<i>O</i>-decaaquabis{μ~3~-2-[2-(2,6-dichloroanilino)phenyl]acetato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>}tetrasodium(I) bis{2-[2-(2,6-dichloroanilino)phenyl]acetate}","","- C28 H34 Cl4 N2 Na2 O11 -","- C28 H34 Cl4 N2 Na2 O11 -","- C56 H68 Cl8 N4 Na4 O22 -","2","1","JY2003","Angel Nieto, Ismael; Bernès, Sylvain; Pérez-Benítez, Aarón","Crystal structure of a new hydrate form of the NSAID sodium diclofenac","Acta Crystallographica Section E","2020","76","12","1846","1850","10.1107/S2056989020015108","","x-ray","0.56083","AgKα","","0.0875","0.0414","","","0.0906","0.1027","","","","","","0.844","","","","has coordinates,has Fobs","280578","2023-01-25","08:34:37",""
"2243681","8.9428","0.0004","9.5089","0.0004","12.109","0.0005","100.395","0.001","91.739","0.001","108.97","0.001","953.4","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-{2-[2-(2-Acetylethenyl)phenoxy]ethyl}-<i>N</i>-ethenyl-4-methylbenzenesulfonamide","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C42 H46 N2 O8 S2 -","2","1","YK2141","Temesgen, Ayalew W.; Luong, Minh Duc; Truong, Hong Hieu; Nguyen, Van Tuyen; Dang, Thi Tuyet Anh; Le, Tuan Anh; Tskhovrebov, Alexander G.; Khrustalev, Victor N.","Unexpected synthesis and crystal structure of <i>N</i>-{2-[2-(2-acetylethenyl)phenoxy]ethyl}-<i>N</i>-ethenyl-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2020","76","12","1851","1853","10.1107/S2056989020015194","","","0.71073","MoKα","","0.0476","0.0409","","","0.1078","0.1136","","","","","","1.029","","","","has coordinates,has Fobs","259213","2020-11-21","05:22:56",""
"2243682","6.5782","0.0004","9.5213","0.0005","10.4848","0.0006","63.696","0.004","84.656","0.005","76.146","0.004","571.51","0.06","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","Thulium nitrate","","- H10 N3 O14 Tm -","- H10 N3 O14 Tm -","- H20 N6 O28 Tm2 -","2","1","WM5589","Klein, Wilhelm","Crystal structures of the penta- and hexahydrate of thulium nitrate","Acta Crystallographica Section E","2020","76","12","1863","1867","10.1107/S2056989020015388","","","0.71073","MoKα","","0.0236","0.0171","","","0.0285","0.0289","","","","","","0.647","","","","has coordinates,has Fobs","259243","2020-11-25","05:21:02",""
"2243683","6.705","0.0003","8.9733","0.0004","11.4915","0.0006","70.924","0.004","88.908","0.004","68.923","0.004","605.9","0.06","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","Thulium nitrate","","- H12 N3 O15 Tm -","- H12 N3 O15 Tm -","- H24 N6 O30 Tm2 -","2","1","WM5589","Klein, Wilhelm","Crystal structures of the penta- and hexahydrate of thulium nitrate","Acta Crystallographica Section E","2020","76","12","1863","1867","10.1107/S2056989020015388","","","0.71073","MoKα","","0.0201","0.0162","","","0.0342","0.0345","","","","","","0.913","","","","has coordinates,has Fobs","259243","2020-11-25","05:21:03",""
"2243684","7.4591","0.0007","5.5045","0.0006","11.7803","0.0012","90","","99.638","0.005","90","","476.86","0.08","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","<i>trans</i>-1,2-Bis(pyridin-3-yl)ethylene","<i>trans</i>-1,2-Bis(pyridin-3-yl)ethene","","- C12 H10 N2 -","- C12 H10 N2 -","- C24 H20 N4 -","2","0.5","DJ2017","Quentin, Jay; Reinheimer, Eric W.; MacGillivray, Leonard R.","X-ray crystal structure of <i>trans</i>-bis(pyridin-3-yl)ethylene: comparing the supramolecular structural features among the symmetrical bis(<i>n</i>-pyridyl)ethylenes (<i>n</i> = 2, 3, or 4) constitutional isomers","Acta Crystallographica Section E","2020","76","12","1859","1862","10.1107/S2056989020015303","","","0.71073","MoKα","","0.0787","0.0495","","","0.1251","0.1366","","","","","","1.068","","","","has coordinates,has Fobs","259244","2020-11-25","05:21:32",""
"2243685","20.76","0.004","9.5527","0.0019","12.045","0.002","90","","91.929","0.004","90","","2387.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Hexamethylenetetramine carboacetaminophenborane‒acetaminophen (1/1)","Hexamethylenetetramine 4-acetamidophenyl 2-boranylacetate‒4-acetamidophenol (1/1)","","- C23 H31 B N6 O5 -","- C23 H31 B N6 O5 -","- C92 H124 B4 N24 O20 -","4","1","HB7947","Ayudhya, Theppawut; Raymond, Casey; Dingra, Nin","Synthesis and structure of a 1:1 co-crystal of hexamethylenetetramine carboxyborane and acetaminophen","Acta Crystallographica Section E","2020","76","12","1854","1858","10.1107/S2056989020015327","","","0.71073","MoKα","","0.0864","0.0413","","","0.0656","0.072","","","","","","1.077","","","","has coordinates,has Fobs","259245","2020-11-25","05:22:03",""
"2243686","5.0826","0.0001","18.1273","0.0007","7.9875","0.0002","90","","90","","90","","735.92","0.04","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Potassium terbium bis(molybdate)","","- K Mo2 O8 Tb -","- K Mo2 O8 Tb -","- K4 Mo8 O32 Tb4 -","4","0.5","RU2071","Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.","Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)","Acta Crystallographica Section E","2020","76","12","1871","1875","10.1107/S205698902001542X","","","0.71073","MoKα","","0.0354","0.033","","","0.1","0.1022","","","1.083","","","1.083","","","","has coordinates,has Fobs","259272","2020-11-28","05:19:21",""
"2243687","5.0776","0.0002","18.1214","0.0007","7.9428","0.0003","90","","90","","90","","730.84","0.05","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Potassium dysprosium bis(molybdate)","","- Dy K Mo2 O8 -","- Dy K Mo2 O8 -","- Dy4 K4 Mo8 O32 -","4","0.5","RU2071","Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.","Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)","Acta Crystallographica Section E","2020","76","12","1871","1875","10.1107/S205698902001542X","","","0.71073","MoKα","","0.0395","0.0325","","","0.0849","0.0882","","","1.096","","","1.096","","","","has coordinates,has Fobs","259272","2020-11-28","05:19:22",""
"2243688","5.077","0.0015","18.161","0.005","7.934","0.002","90","","90","","90","","731.5","0.3","273","","273","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Potassium holmium bis(molybdate)","","- Ho K Mo2 O8 -","- Ho K Mo2 O8 -","- Ho4 K4 Mo8 O32 -","4","0.5","RU2071","Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.","Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)","Acta Crystallographica Section E","2020","76","12","1871","1875","10.1107/S205698902001542X","","","0.71073","MoKα","","0.0316","0.0266","","0.0611","","0.0625","","","1.254","","","1.254","","","","has coordinates,has Fobs","259272","2020-11-28","05:19:22",""
"2243689","5.0602","0.0002","18.1965","0.0008","7.892","0.0003","90","","90","","90","","726.68","0.05","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Potassium erbium bis(molybdate)","","- Er K Mo2 O8 -","- Er K Mo2 O8 -","- Er4 K4 Mo8 O32 -","4","0.5","RU2071","Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.","Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)","Acta Crystallographica Section E","2020","76","12","1871","1875","10.1107/S205698902001542X","","","0.71073","MoKα","","0.03","0.0265","","0.0709","","0.0727","","","1.061","","","1.061","","","","has coordinates,has Fobs","259272","2020-11-28","05:19:22",""
"2243690","5.0417","0.0005","18.3039","0.0019","7.8693","0.0008","90","","90","","90","","726.2","0.13","273","","273","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Potassium ytterbium bis(molybdate)","","- K Mo2 O8 Yb -","- K Mo2 O8 Yb -","- K4 Mo8 O32 Yb4 -","4","0.5","RU2071","Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.","Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)","Acta Crystallographica Section E","2020","76","12","1871","1875","10.1107/S205698902001542X","","","0.71073","MoKα","","0.0267","0.0224","","0.0609","","0.0632","","","1.108","","","1.108","","","","has coordinates,has Fobs","259272","2020-11-28","05:19:22",""
"2243691","5.0292","0.0002","18.2519","0.001","7.8174","0.0004","90","","90","","90","","717.58","0.06","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Potassium lutetium bis(molybdate)","","- K Lu Mo2 O8 -","- K Lu Mo2 O8 -","- K4 Lu4 Mo8 O32 -","4","0.5","RU2071","Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J.","Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu)","Acta Crystallographica Section E","2020","76","12","1871","1875","10.1107/S205698902001542X","","","0.71073","MoKα","","0.0333","0.0273","","0.0733","","0.0769","","","1.17","","","1.17","","","","has coordinates,has Fobs","259272","2020-11-28","05:19:22",""
"2300663","6.7705","0.0006","6.7705","0.0006","4.7044","0.0002","90","","90","","120","","186.76","0.02","293","","293","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Fe4 Mn Si3 -","- Fe4 Mn Si3 -","- Fe8 Mn2 Si6 -","2","0.0833333","","Grzechnik, Andrzej; Meven, Martin; Paulmann, Carsten; Friese, Karen","Combined X-ray and neutron single-crystal diffraction in diamond anvil cells","Journal of Applied Crystallography","2020","53","1","9","14","10.1107/S1600576719014201","","neutron","1.17","neutron","","0.1466","0.0944","","","0.0692","0.0718","","","","7.54","7.54","3.7","","","","has coordinates,has Fobs","247891","2020-10-21","18:00:00",""
"2300664","6.7705","0.0006","6.7705","0.0006","4.7044","0.0002","90","","90","","120","","186.76","0.02","293","","293","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Fe4 Mn Si3 -","- Fe4 Mn Si3 -","- Fe8 Mn2 Si6 -","2","0.0833333","","Grzechnik, Andrzej; Meven, Martin; Paulmann, Carsten; Friese, Karen","Combined X-ray and neutron single-crystal diffraction in diamond anvil cells","Journal of Applied Crystallography","2020","53","1","9","14","10.1107/S1600576719014201","","x-ray","0.494","synchrotron","","0.0622","0.0619","","","0.0758","0.0758","","","","0","0","6.02","","","","has coordinates,has Fobs","247891","2020-10-21","18:00:00",""
"2300665","5.1505","0.0001","5.1505","0.0001","13.8742","0.0005","90","","90","","120","","318.741","0.014","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","","Weigel, Tina; Funke, Claudia; Zschornak, Matthias; Behm, Thomas; Stöcker, Hartmut; Leisegang, Tilmann; Meyer, Dirk C.","X-ray diffraction using focused-ion-beam-prepared single crystals","Journal of Applied Crystallography","2020","53","3","614","","10.1107/S1600576720003143","","x-ray","0.71076","MoKα","","0.0182","0.0163","","","0.0204","0.0207","","","","1.62","1.62","1.54","","","","has coordinates","253565","2020-10-21","18:00:00",""
"2300666","5.1513","0.0001","5.1513","0.0001","13.8687","0.0006","90","","90","","120","","318.713","0.016","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","","Weigel, Tina; Funke, Claudia; Zschornak, Matthias; Behm, Thomas; Stöcker, Hartmut; Leisegang, Tilmann; Meyer, Dirk C.","X-ray diffraction using focused-ion-beam-prepared single crystals","Journal of Applied Crystallography","2020","53","3","614","","10.1107/S1600576720003143","","x-ray","0.71076","MoKα","","0.0294","0.0287","","","0.0382","0.0383","","","","3.18","3.18","3.09","","","","has coordinates","253565","2020-10-21","18:00:00",""
"2300667","5.1516","0.0001","5.1516","0.0001","13.869","0.0006","90","","90","","120","","318.757","0.016","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","","Weigel, Tina; Funke, Claudia; Zschornak, Matthias; Behm, Thomas; Stöcker, Hartmut; Leisegang, Tilmann; Meyer, Dirk C.","X-ray diffraction using focused-ion-beam-prepared single crystals","Journal of Applied Crystallography","2020","53","3","614","","10.1107/S1600576720003143","","x-ray","0.71076","MoKα","","0.0163","0.0152","","","0.0207","0.0209","","","","1.69","1.69","1.65","","","","has coordinates","253565","2020-10-21","18:00:00",""
"2300668","20.022","0.004","19.899","0.004","13.383","0.003","90","","90","","90","","5332","1.9","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Roslova, Maria; Smeets, Stef; Wang, Bin; Thersleff, Thomas; Xu, Hongyi; Zou, Xiaodong","<i>InsteaDMatic</i>: towards cross-platform automated continuous rotation electron diffraction","Journal of Applied Crystallography","2020","53","5","1217","1224","10.1107/S1600576720009590","","","0.019","300kVelectrons","","0.2612","0.1992","","","0.5092","0.5465","","","","","","1.583","","","","has coordinates,has Fobs","258187","2020-10-21","18:00:00",""
"2300669","20.022","0.004","19.899","0.004","13.383","0.003","90","","90","","90","","5332","1.9","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Roslova, Maria; Smeets, Stef; Wang, Bin; Thersleff, Thomas; Xu, Hongyi; Zou, Xiaodong","<i>InsteaDMatic</i>: towards cross-platform automated continuous rotation electron diffraction","Journal of Applied Crystallography","2020","53","5","1217","1224","10.1107/S1600576720009590","","","0.019","300kVelectrons","","0.1997","0.1758","","","0.4746","0.4914","","","","","","1.609","","","","has coordinates,has Fobs","258187","2020-10-21","18:00:00",""
"2300670","26.7958","0.0018","7.1586","0.0005","14.1598","0.0011","90","","90","","90","","2716.1","0.3","20","2","","","","","","","","","","2","C m c e","-C 2ac 2","64","","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","0.25","","Krause, Lennard; Tolborg, Kasper; Grønbech, Thomas Bjørn Egede; Sugimoto, Kunihisa; Iversen, Bo Brummerstedt; Overgaard, Jacob","Accurate high-resolution single-crystal diffraction data from a Pilatus3 X CdTe detector","Journal of Applied Crystallography","2020","53","3","635","","10.1107/S1600576720003775","","","","","","0.038","0.038","","","","0.025","","","","","","1.029","","","","has coordinates,has Fobs","256219","2020-10-21","18:00:00",""
"2300671","10.6656","0.0003","12.4599","0.0004","14.7567","0.0005","98.635","0.003","101.65","0.003","97.962","0.003","1869.79","0.11","150.2","0.2","150.2","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H29 Cl Cu N6 O14 -","- C40 H29 Cl Cu N6 O14 -","- C80 H58 Cl2 Cu2 N12 O28 -","2","1","","Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.","On the Hirshfeld surface for copper(II) atoms in different coordination environments","Journal of Applied Crystallography","2020","53","5","1321","1333","10.1107/S1600576720011413","","","0.71073","MoKα","","0.0781","0.062","","","0.1378","0.1462","","","","","","1.05","","","","has coordinates,has Fobs","258186","2020-10-21","18:00:00",""
"2300672","7.0195","0.0001","7.0195","0.0001","7.0195","0.0001","90","","90","","90","","345.874","0.009","297","","293","2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- C6 D12 N4 -","- C6 D12 N4 -","- C12 D24 N8 -","2","0.0416667","","McMonagle, Charles J.; Allan, David R.; Warren, Mark R.; Kamenev, Konstantin V.; Turner, Gemma F.; Moggach, Stephen A.","High-pressure sapphire capillary cell for synchrotron single-crystal X-ray diffraction measurements to 1500 bar","Journal of Applied Crystallography","2020","53","6","1519","1523","10.1107/S1600576720013710","","","0.71073","MoKα","","0.0311","0.0307","","","0.0922","0.0925","","","","","","1.325","","","","has coordinates,has Fobs","259638","2020-12-07","01:49:49",""
"2311101","5.9534","0.0005","12.2772","0.001","5.7882","0.0005","90","","90","","90","","423.07","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","AE5068","Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø.","A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine","Acta Crystallographica Section A","2020","76","1","32","44","10.1107/S205327331901355X","","x-ray","0.71073","MoKα","","0.0253","0.0233","","","0.0622","0.0633","","","","","","1.144","","","","has coordinates,has Fobs","247887","2020-10-21","18:00:00",""
"2311102","5.9534","0.0005","12.2772","0.001","5.7882","0.0005","90","","90","","90","","423.07","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","AE5068","Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø.","A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine","Acta Crystallographica Section A","2020","76","1","32","44","10.1107/S205327331901355X","","x-ray","0.71073","MoKα","","0.0326","0.0305","","","0.082","0.082","","","","","","2.291","","","","has coordinates,has Fobs","247887","2020-10-21","18:00:00",""
"2311103","5.9534","0.0005","12.2772","0.001","5.7882","0.0005","90","","90","","90","","423.07","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","AE5068","Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø.","A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine","Acta Crystallographica Section A","2020","76","1","32","44","10.1107/S205327331901355X","","x-ray","0.71073","MoKα","","0.0311","0.0291","","","0.0786","0.0795","","","","","","1.435","","","","has coordinates,has Fobs","247887","2020-10-21","18:00:00",""
"2311104","5.9534","0.0005","12.2772","0.001","5.7882","0.0005","90","","90","","90","","423.07","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","AE5068","Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø.","A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine","Acta Crystallographica Section A","2020","76","1","32","44","10.1107/S205327331901355X","","x-ray","0.71073","MoKα","","0.018","0.018","","","","0.038","","","","","","1.146","","","","has coordinates,has Fobs","247887","2020-10-21","18:00:00",""
"2311105","5.9534","0.0005","12.2772","0.001","5.7882","0.0005","90","","90","","90","","423.07","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","AE5068","Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø.","A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine","Acta Crystallographica Section A","2020","76","1","32","44","10.1107/S205327331901355X","","x-ray","0.71073","MoKα","","0.021","0.021","","","","0.048","","","","","","1.442","","","","has coordinates,has Fobs","247887","2020-10-21","18:00:00",""
"2311106","5.9534","0.0005","12.2772","0.001","5.7882","0.0005","90","","90","","90","","423.07","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","AE5068","Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø.","A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine","Acta Crystallographica Section A","2020","76","1","32","44","10.1107/S205327331901355X","","x-ray","0.71073","MoKα","","0.022","0.022","","","","0.049","","","","","","1.476","","","","has coordinates,has Fobs","247887","2020-10-21","18:00:00",""
"3000200","9.2588","0.0018","9.5065","0.0019","12.181","0.002","70.416","0.002","80.694","0.002","61.22","0.002","885.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 Cl4 Cu2 N16 O2 -","- C28 H36 Cl4 Cu2 N16 O2 -","- C28 H36 Cl4 Cu2 N16 O2 -","1","0.5","","José Manuel Méndez-Arriaga; Itziar Oyarzabal; Álvaro Martín-Montes; Judith García-Rodríguez; Miguel Quirós; Manuel Sánchez-Moreno","First Example of Antiparasitic Activity Influenced by Thermochromism: Leishmanicidal Evaluation of 5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidine Metal Complexes.","Medicinal chemistry (Shariqah (United Arab Emirates))","2020","16","3","422","430","10.2174/1573406415666190401120607","","","0.71073","MoKα","","0.0286","0.0268","","","0.0691","0.0703","","","","","","1.095","","","","has coordinates","252433","2020-10-21","18:00:00",""
"3000220","14.3058","0.0009","7.1686","0.0004","30.771","0.002","90","","90","","90","","3155.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H9 N5 O -","- C6 H9 N5 O -","- C96 H144 N80 O16 -","16","2","","Gines M. Esteban-Parra; Eider San Sebastián; Javier Cepeda; Cristina Sánchez-González; Lorenzo Rivas; Juan Llopis; Pilar Aranda; Miguel Quirós; Antonio Rodríguez-Diéguez","Anti-diabetic and anti-parasitic properties of a family of luminescent zinc coordination compounds based on the 7-amino-5-methyl-1,2,4-triazolo[1,5-a]pyrimidine ligand","Journal of Inorganic Biochemistry","2020","212","","111235","","10.1016/j.jinorgbio.2020.111235","","","0.71069","MoKα","","0.0603","0.0453","","","0.1031","0.1099","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","274292","2022-04-04","05:56:25",""
"3000221","14.9427","0.0006","7.5063","0.0003","15.7715","0.0006","90","","107.883","0.0013","90","","1683.53","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cl2 N10 Zn -","- C12 H14 Cl2 N10 Zn -","- C48 H56 Cl8 N40 Zn4 -","4","1","","Gines M. Esteban-Parra; Eider San Sebastián; Javier Cepeda; Cristina Sánchez-González; Lorenzo Rivas; Juan Llopis; Pilar Aranda; Miguel Quirós; Antonio Rodríguez-Diéguez","Anti-diabetic and anti-parasitic properties of a family of luminescent zinc coordination compounds based on the 7-amino-5-methyl-1,2,4-triazolo[1,5-a]pyrimidine ligand","Journal of Inorganic Biochemistry","2020","212","","111235","","10.1016/j.jinorgbio.2020.111235","","","0.71069","MoKα","","0.0396","0.0302","","","0.0715","0.0778","","","","","","1.11","","","","has coordinates,has Fobs","274293","2022-04-04","05:59:39",""
"3000222","7.1837","0.0005","11.4156","0.0009","12.8451","0.001","80.763","0.003","82.269","0.003","77.782","0.003","1010.63","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H48 N22 O16 Zn -","- C24 H48 N22 O16 Zn -","- C24 H48 N22 O16 Zn -","1","0.5","","Gines M. Esteban-Parra; Eider San Sebastián; Javier Cepeda; Cristina Sánchez-González; Lorenzo Rivas; Juan Llopis; Pilar Aranda; Miguel Quirós; Antonio Rodríguez-Diéguez","Anti-diabetic and anti-parasitic properties of a family of luminescent zinc coordination compounds based on the 7-amino-5-methyl-1,2,4-triazolo[1,5-a]pyrimidine ligand","Journal of Inorganic Biochemistry","2020","212","","111235","","10.1016/j.jinorgbio.2020.111235","","","0.71069","MoKα","","0.0462","0.0363","","","0.0919","0.0988","","","","","","0.924","","","","has coordinates,has Fobs","274294","2022-04-04","06:01:49",""
"3000223","8.0644","0.0006","11.9048","0.001","12.3145","0.001","71.664","0.003","74.549","0.003","76.161","0.003","1065.96","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H25 N10 O9.5 S Zn -","- C12 H20 N10 O9.5 S Zn -","- C24 H40 N20 O19 S2 Zn2 -","2","1","","Gines M. Esteban-Parra; Eider San Sebastián; Javier Cepeda; Cristina Sánchez-González; Lorenzo Rivas; Juan Llopis; Pilar Aranda; Miguel Quirós; Antonio Rodríguez-Diéguez","Anti-diabetic and anti-parasitic properties of a family of luminescent zinc coordination compounds based on the 7-amino-5-methyl-1,2,4-triazolo[1,5-a]pyrimidine ligand","Journal of Inorganic Biochemistry","2020","212","","111235","","10.1016/j.jinorgbio.2020.111235","","","0.71073","MoKα","","0.0467","0.039","","","0.0962","0.1021","","","","","","0.935","","","","has coordinates,has disorder,has Fobs","274295","2022-04-04","06:03:53",""
"3000243","3.0778","0.0006","5.335","0.0014","15.1219","0.0006","90","","90","","90","","248.3","0.08","291.66","","291.66","","","","","","","","","2","C m c 21","C 2c -2","36","","","Moissanite 6O SiC","- C Si -","- C Si -","- C12 Si12 -","12","1.5","","El Mendili, Yassine; Orberger, Beate; Chateigner, Daniel; Bardeau, Jean-François; Gascoin, Stéphanie; Petit, Sébastien; Perez, Olivier; Khadraoui, Fouzia","Insight into the structural, elastic and electronic properties of a new orthorhombic 6O-SiC polytype","Scientific Reports","2020","10","1","7562","","10.1038/s41598-020-64415-4","","x-ray","1.54184","CuKα","","0.0452","0.0329","","","0.0438","0.0442","","","","3.81","3.81","3","","","","has coordinates","251946","2020-10-21","18:00:00",""
"3000254","28.5403","0.0018","16.3831","0.0012","28.2358","0.0019","90","","101.817","0.003","90","","12922.7","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H30 Dy N15 O12 -","- C21 H30 Dy N15 O12 -","- C336 H480 Dy16 N240 O192 -","16","2","","Esteban-Parra, Ginés M.; Moscoso, Inmaculada; Cepeda, Javier; García, Jose A.; Sánchez-Moreno, Manuel; Rodríguez-Diéguez, Antonio; Quirós, Miguel","Lanthanide(III) Based Complexes Containing 5,7-Dimethyl-1,2,4-triazolo[1,5-a ]pyrimidine as Long-Lived Photoluminescent Antiparasitic Agents","European Journal of Inorganic Chemistry","2020","2020","3","308","","10.1002/ejic.201901119","","","0.71073","MoKα","","0.0814","0.0377","","","0.0581","0.067","","","","","","1.01","","","","has coordinates,has Fobs","247119","2020-10-21","18:00:00",""
"3000255","16.4089","0.0012","16.4089","0.0012","19.4155","0.0014","90","","90","","120","","4527.3","0.6","298","2","298","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C63 H90 La2 N42 O27 -","- C63 H90 La2 N42 O27 -","- C126 H180 La4 N84 O54 -","2","0.166667","","Esteban-Parra, Ginés M.; Moscoso, Inmaculada; Cepeda, Javier; García, Jose A.; Sánchez-Moreno, Manuel; Rodríguez-Diéguez, Antonio; Quirós, Miguel","Lanthanide(III) Based Complexes Containing 5,7-Dimethyl-1,2,4-triazolo[1,5-a ]pyrimidine as Long-Lived Photoluminescent Antiparasitic Agents","European Journal of Inorganic Chemistry","2020","2020","3","308","","10.1002/ejic.201901119","","","0.71073","MoKα","","0.0297","0.0278","","","0.0747","0.076","","","","","","1.095","","","","has coordinates,has Fobs","247120","2020-10-21","18:00:00",""
"3000276","9.2727","0.0002","5.27291","0.00011","21.9357","0.0005","90","","97.8775","0.001","90","","1062.41","0.04","","","298","","","","100","","","","","4","C 1 2/c 1","-C 2yc","15","Ca(Fe3+0.4Si0.6)O2.8","","Ca Fe oxygen-deficient silicate perovskite","- Ca Fe0.4 O2.8 Si0.6 -","- Ca Fe0.4 O2.8 Si0.6 -","- Ca20 Fe8 O56 Si12 -","20","2.5","","Kanzaki, M.","Crystal structure of Ca(Fe0.4Si0.6)O2.8 oxygen-deficient perovskite","Journal of the Ceramic Society of Japan","2020","128","","843","846","10.2109/jcersj2.20138","","","","","","","","","","","","","","","","","","","","","has coordinates","256976","2020-10-21","18:00:00",""
"3000281","13.902","0.0003","13.902","0.0003","11.2802","0.0002","90","","90","","120","","1888","0.07","293","2","293","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C17 H68 O68 Si34 -","- C20.44 O68 Si34 -","- C20.44 O68 Si34 -","1","0.0416667","","Koichi Momma; Takuji Ikeda; Toshiro Nagase; Takahiro Kuribayashi; Chibune Honma; Katsumi Nishikubo; Naoki Takahashi; Masayuki Takada; Yoshitaka Matsushita; Ritsuro Miyawaki; Satoshi Matsubara","Bosoite, a new silica clathrate mineral from Chiba Prefecture, Japan","Mineralogical Magazine","2020","84","","941","","","","","1.54187","CuKα","","0.0435","0.0426","","","0.12","0.1208","","","","","","1.168","","","","has coordinates","262244","2021-02-26","00:50:05",""
"3500088","8.6614","0.0002","9.6467","0.0002","23.5332","0.0005","90","","90","","90","","1966.29","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl bis(2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl)borinate","","- C21 H37 B O -","- C21 H37 B O -","- C84 H148 B4 O4 -","4","1","","Thierry Maris","methyl bis(2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl)borinate","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0389","0.0381","","","0.0986","0.0995","","","","","","1.075","","","","has coordinates,has Fobs","246658","2020-10-21","18:00:00",""
"3500089","6.2275","0.0002","7.2083","0.0002","16.8213","0.0005","90","","90","","90","","755.1","0.04","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-iodo-4-methoxybenzene","","- C7 H7 I O -","- C7 H7 I O -","- C28 H28 I4 O4 -","4","1","","Thierry Maris","1-iodo-4-methoxybenzene","Personal communication to COD","2020","","","","","","","x-ray","1.54178","CuKα","","0.0282","0.0278","","","0.0641","0.0644","","","","","","1.092","","","","has coordinates,has Fobs","246665","2020-10-21","18:00:00",""
"3500090","8.3595","0.0002","21.821","0.0006","10.8558","0.0003","90","","92.71","0.002","90","","1978.02","0.09","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4-(ethoxycarbonyl)phenyl)boronic acid","","- C9 H11 B O4 -","- C9 H11 B O4 -","- C72 H88 B8 O32 -","8","2","","Thierry Maris","(4-(ethoxycarbonyl)phenyl)boronic acid","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0639","0.0524","","","0.1277","0.1383","","","","","","1.052","","","","has coordinates,has Fobs","246667","2020-10-21","18:00:00",""
"3500091","16.9583","0.0006","6.7846","0.0002","20.6053","0.0007","90","","90","","90","","2370.75","0.14","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","'benzoic acid 3,5-dicarboxylate ethylenediammonium'","","","- C11 H14 N2 O6 -","- C11 H14 N2 O6 -","- C88 H112 N16 O48 -","8","1","","Thierry Maris","benzoic acid 3,5-dicarboxylate ethylenediammonium","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0472","0.0408","","","0.0927","0.0965","","","","","","1.096","","","","has coordinates,has Fobs","246676","2020-10-21","18:00:00",""
"3500092","9.7597","0.0003","16.5287","0.0004","13.0405","0.0003","90","","97.776","0.001","90","","2084.29","0.09","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","benzoic acid 3,5-dicarboxylate N-N'-bis(2-Ammonioethyl)oxamide dimethylsulfoxide'","","","- C17 H26 N4 O9 S -","- C17 H26 N4 O9 S -","- C68 H104 N16 O36 S4 -","4","1","","Thierry Maris","benzoic acid 3,5-dicarboxylate N-N'-bis(2-Ammonioethyl)oxamide dimethylsulfoxide'","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.038","0.0373","","","0.0954","0.0961","","","","","","1.086","","","","has coordinates,has Fobs","246677","2020-10-21","18:00:00",""
"3500093","11.5313","0.0009","13.1325","0.001","14.2336","0.0011","82.52","0.004","67.38","0.003","80.662","0.003","1957.8","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","tributylbenzylammonium bromide","N-benzyl-N,N-dibutylbutan-1-aminium bromide","","- C19 H34 Br N -","- C19 H34 Br N -","- C76 H136 Br4 N4 -","4","2","","Thierry Maris","Tributylbenzylammonium bromide","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0579","0.0533","","","0.137","0.1414","","","","","","1.077","","","","has coordinates,has Fobs","247089","2020-10-21","18:00:00",""
"3500094","12.1064","0.0006","7.0963","0.0003","11.6561","0.0005","90","","109.926","0.002","90","","941.43","0.07","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,3,4-trimethoxybenzaldehyde","Benzaldehyde, 2,3,4-trimethoxy-","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","","Thierry Maris","2,3,4-trimethoxybenzaldehyde","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0342","0.0323","","","0.0904","0.092","","","","","","1.044","","","","has coordinates,has Fobs","247090","2020-10-21","18:00:00",""
"3500095","9.1629","0.0002","9.1629","0.0002","50.2545","0.0012","90","","90","","90","","4219.3","0.16","150","","150.15","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","desonide","Dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-pregna-1,4-diene-3,20-dione","","- C24 H32 O6 -","- C24 H32 O6 -","- C192 H256 O48 -","8","1","","Thierry Maris","Desonide","Personal communication to COD","2020","","","","","","","","1.34139","GaKα","","0.0462","0.038","","","0.0717","0.0754","","","","","","1.125","","","","has coordinates,has Fobs","247091","2020-10-21","18:00:00",""
"3500096","8.1432","0.0002","7.6307","0.0002","12.1977","0.0003","90","","104.147","0.001","90","","734.96","0.03","150","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3(nitrophenyl)boronic acid","","","- C6 H6 B N O4 -","- C6 H6 B N O4 -","- C24 H24 B4 N4 O16 -","4","1","","Thierry Maris","3(nitrophenyl)boronic acid","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0441","0.0432","","","0.1043","0.1053","","","","","","1.127","","","","has coordinates,has Fobs","247092","2020-10-21","18:00:00",""
"3500097","11.6577","0.0004","13.1592","0.0004","11.534","0.0004","90","","109.098","0.001","90","","1672","0.1","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Ethyl p-hydroxybenzoate","Benzoic acid, 4-hydroxy-, ethyl ester","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","2","","Thierry Maris","Ethyl p-hydroxybenzoate","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0413","0.0375","","","0.1068","0.1109","","","","","","1.052","","","","has coordinates,has Fobs","247189","2020-10-21","18:00:00",""
"3500098","6.5747","0.0002","7.4299","0.0003","6.7388","0.0002","90","","93.33","0.001","90","","328.63","0.019","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","b-D-Glucurono-1,4-lactone","","","- C6 H8 O6 -","- C6 H8 O6 -","- C12 H16 O12 -","2","1","","Thierry Maris","beta-D-Glucurono-1,4-lactone","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0369","0.0369","","","0.0847","0.0847","","","","","","1.183","","","","has coordinates,has Fobs","247190","2020-10-21","18:00:00",""
"3500099","9.2166","0.0007","9.386","0.0008","40.8259","0.0005","84.677","0.005","86.411","0.004","89.304","0.004","3509.5","0.4","150","","150","","","","","","","","","4","P -1","-P 1","2","tetraoctadecylammonium bromide","tetraoctadecylazanium bromide","","- C72 H148 Br N -","- C72 H148 Br N -","- C144 H296 Br2 N2 -","2","1","","Thierry Maris","tetraoctadecylammonium bromide","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.1057","0.0834","","","0.2288","0.2443","","","","","","1.125","","","","has coordinates","247191","2020-10-21","18:00:00",""
"3500100","5.6352","0.0002","7.1096","0.0003","24.7718","0.0009","90","","90","","90","","992.46","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-amino-1-(2-deoxy-b-D-erythro-pentofuranosyl)-1,3,5-triazin-2(1H)-one","","- C8 H12 N4 O4 -","- C8 H12 N4 O4 -","- C32 H48 N16 O16 -","4","1","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0312","0.0296","","","0.0734","0.0751","","","","","","1.099","","","","has coordinates,has Fobs","251898","2020-10-21","18:00:00",""
"3500101","12.9744","0.0012","5.1182","0.0005","12.7942","0.0013","90","","90","","90","","849.61","0.14","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","1,2,3-trimethoxybenzene","1,2,3-trimethoxybenzene","","- C9 H12 O3 -","- C9 H12 O3 -","- C36 H48 O12 -","4","1","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0348","0.0318","","","0.0745","0.0765","","","","","","1.051","","","","has coordinates,has Fobs","251901","2020-10-21","18:00:00",""
"3500102","30.333","0.003","4.6431","0.0005","14.0351","0.0014","90","","98.309","0.006","90","","1955.9","0.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H11 Br O3 -","- C9 H11 Br O3 -","- C72 H88 Br8 O24 -","8","1","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.044","0.0398","","","0.1007","0.104","","","","","","1.073","","","","has coordinates,has Fobs","251903","2020-10-21","18:00:00",""
"3500103","11.9181","0.0003","13.3547","0.0004","5.1261","0.0002","90","","90","","90","","815.88","0.05","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","1-bromo-3,5-dimethoxybenzene","1-bromo-3,5-dimethoxybenzene","","- C8 H9 Br O2 -","- C8 H9 Br O2 -","- C32 H36 Br4 O8 -","4","0.5","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0192","0.0191","","","0.0498","0.0499","","","","","","1.175","","","","has coordinates,has Fobs","251904","2020-10-21","18:00:00",""
"3500104","12.0723","0.0006","13.3794","0.0007","4.8987","0.0002","90","","90","","90","","791.24","0.07","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","1-chloro-3,5-dimethoxybenzene","1-chloro-3,5-dimethoxybenzene","","- C8 H9 Cl O2 -","- C8 H9 Cl O2 -","- C32 H36 Cl4 O8 -","4","0.5","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0264","0.0251","","","0.0656","0.0667","","","","","","1.065","","","","has coordinates,has Fobs","251905","2020-10-21","18:00:00",""
"3500105","13.5504","0.0004","7.5443","0.0002","14.8005","0.0005","90","","90","","90","","1513.03","0.08","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","3,5-dimethoxyphenol","3,5-dimethoxyphenol","","- C8 H10 O3 -","- C8 H10 O3 -","- C64 H80 O24 -","8","1","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0347","0.0338","","","0.0929","0.0941","","","","","","1.067","","","","has coordinates,has Fobs","251906","2020-10-21","18:00:00",""
"3500106","13.214","0.0006","6.5266","0.0003","8.6159","0.0004","90","","90","","90","","743.06","0.06","105","","105","","","","","","","","","5","P n m a","-P 2ac 2n","62","4-chloro-2,6-dimethoxypyrimidine","4-chloro-2,6-dimethoxypyrimidine","","- C6 H7 Cl N2 O2 -","- C6 H7 Cl N2 O2 -","- C24 H28 Cl4 N8 O8 -","4","0.5","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0268","0.0262","","","0.0713","0.072","","","","","","1.149","","","","has coordinates,has disorder,has Fobs","251907","2020-10-21","18:00:00",""
"3500107","9.711","0.0003","7.2904","0.0002","14.8127","0.0005","90","","94.2","0.002","90","","1045.88","0.06","105","","105","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1-(3,4,5-trimethoxyphenyl)ethan-1-one","1-(3,4,5-trimethoxyphenyl)ethan-1-one","","- C11 H14 O4 -","- C11 H14 O4 -","- C44 H56 O16 -","4","1","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0436","0.0356","","","0.0895","0.0948","","","","","","1.043","","","","has coordinates,has Fobs","251908","2020-10-21","18:00:00",""
"3500108","16.2478","0.0008","14.3171","0.0007","17.4705","0.0009","90","","111.904","0.002","90","","3770.6","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tetrabutylammonium chloride monohydrate","1-Butanaminium, N,N,N-tributyl-, chloride, hydrate (1:1)","","- C16 H38 Cl N O -","- C16 H38 Cl N O -","- C128 H304 Cl8 N8 O8 -","8","2","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.54178","CuKα","","0.0488","0.0406","","","0.1069","0.1152","","","","","","1.031","","","","has coordinates,has Fobs","251909","2020-10-21","18:00:00",""
"3500109","8.87","0.0004","14.0927","0.0006","14.8515","0.0007","90","","102.193","0.002","90","","1814.59","0.14","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tetrabutyl ammonium chloride hydrate","1-Butanaminium, N,N,N-tributyl-, chloride, hydrate (1:0.07)","","- C16 H36.14 Cl N O0.07 -","- C16 H36.14 Cl N O0.07 -","- C64 H144.56 Cl4 N4 O0.28 -","4","1","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.54178","CuKα","","0.0355","0.0345","","","0.092","0.0931","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","251911","2020-10-21","18:00:00",""
"3500110","11.6586","0.0007","13.1645","0.0008","11.5326","0.0007","90","","109.128","0.002","90","","1672.29","0.18","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Ethyl p-hydroxybenzoate","Ethyl 4-hydroxybenzoate","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","2","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0458","0.0449","","","0.1177","0.1189","","","","","","1.121","","","","has coordinates,has Fobs","251912","2020-10-21","18:00:00",""
"3500111","12.5532","0.0005","7.4371","0.0003","11.9865","0.0005","90","","90","","90","","1119.05","0.08","150","","150","","","","","","","","","4","P c c n","-P 2ab 2ac","56","3-Pyridinol, 2-Nitro-","3-Pyridinol, 2-Nitro-","","- C5 H4 N2 O3 -","- C5 H4 N2 O3 -","- C40 H32 N16 O24 -","8","1","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.052","0.0502","","","0.1237","0.1257","","","","","","1.169","","","","has coordinates,has disorder,has Fobs","252130","2020-10-21","18:00:00",""
"3500112","7.6434","0.0002","14.6714","0.0005","5.5496","0.0002","90","","90","","90","","622.33","0.03","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","indole","1H-Indole","","- C8 H7 N -","- C8 H7 N -","- C32 H28 N4 -","4","0.5","","Thierry Maris","Indole in Pnma at 100 K","Personal communication to COD","2020","","","","","","","","1.54178","CuKα","","0.0317","0.0315","","","0.0862","0.0863","","","","","","1.129","","","","has coordinates,has disorder,has Fobs","259064","2020-11-10","20:59:21",""
"3500113","7.7245","0.0001","14.8852","0.0002","5.7824","0.0001","90","","90","","90","","664.865","0.017","150","2","150.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","Thianaphtene","","","- C8 H6 S -","- C8 H6 S -","- C32 H24 S4 -","4","0.5","","Thierry Maris","Thianaphtene in Pnma at 100 K","Personal communication to COD","2020","","","","","","","","1.54178","CuKα","","0.0353","0.0348","","","0.1003","0.1008","","","","","","1.119","","","","has coordinates,has disorder,has Fobs","259065","2020-11-10","21:06:25",""
"3500114","3.7993","0.0005","12.8169","0.0018","7.9561","0.0012","90","","101.052","0.007","90","","380.24","0.09","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-Nitrobenzoyl Chloride","Benzoyl chloride, 4-nitro-","","- C7 H4 Cl N O3 -","- C7 H4 Cl N O3 -","- C14 H8 Cl2 N2 O6 -","2","0.5","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0505","0.0477","","","0.1333","0.1373","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","260189","2020-12-29","17:52:40",""
"4003453","19.86","0.005","7.617","0.0018","25.334","0.006","90","","90","","90","","3832.4","1.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H15 N5 O Pt -","- C25 H15 N5 O Pt -","- C200 H120 N40 O8 Pt8 -","8","1","","Li, Guijie; Zhao, Xiangdong; Fleetham, Tyler; Chen, Qidong; Zhan, Feng; Zheng, Jianbing; Yang, Yun-Fang; Lou, Weiwei; Yang, Yuning; Fang, Kun; Shao, Zongzhou; Zhang, Qisheng; She, Yuanbin","Tetradentate Platinum(II) Complexes for Highly Efficient Phosphorescent Emitters and Sky Blue OLEDs","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04263","","","0.71073","MoKα","","0.0613","0.0412","","","0.094","0.1026","","","","","","1.063","","","","has coordinates","246479","2020-10-21","18:00:00",""
"4003454","19.991","0.007","7.549","0.003","25.31","0.009","90","","90","","90","","3820","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H15 N3 O2 Pt -","- C26 H15 N3 O2 Pt -","- C208 H120 N24 O16 Pt8 -","8","1","","Li, Guijie; Zhao, Xiangdong; Fleetham, Tyler; Chen, Qidong; Zhan, Feng; Zheng, Jianbing; Yang, Yun-Fang; Lou, Weiwei; Yang, Yuning; Fang, Kun; Shao, Zongzhou; Zhang, Qisheng; She, Yuanbin","Tetradentate Platinum(II) Complexes for Highly Efficient Phosphorescent Emitters and Sky Blue OLEDs","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04263","","","0.71073","MoKα","","0.0444","0.03","","","0.0726","0.0769","","","","","","1.026","","","","has coordinates","246480","2020-10-21","18:00:00",""
"4003455","17.8692","0.0008","7.5528","0.0004","28.1923","0.0015","90","","90","","90","","3804.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H15 N5 O Pt -","- C25 H15 N5 O Pt -","- C200 H120 N40 O8 Pt8 -","8","1","","Li, Guijie; Zhao, Xiangdong; Fleetham, Tyler; Chen, Qidong; Zhan, Feng; Zheng, Jianbing; Yang, Yun-Fang; Lou, Weiwei; Yang, Yuning; Fang, Kun; Shao, Zongzhou; Zhang, Qisheng; She, Yuanbin","Tetradentate Platinum(II) Complexes for Highly Efficient Phosphorescent Emitters and Sky Blue OLEDs","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04263","","","0.71073","MoKα","","0.0298","0.0236","","","0.0557","0.0582","","","","","","1.05","","","","has coordinates","246481","2020-10-21","18:00:00",""
"4003456","11.5984","0.0002","11.5984","0.0002","5.18","0.0002","90","","90","","90","","696.83","0.03","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- Ge4 K4 Li2 O13 Ti -","- Ge4 K4 Li2 O13 Ti -","- Ge8 K8 Li4 O26 Ti2 -","2","0.25","","Xu, Jingjing; Wu, Hongping; Yu, Hongwei; Zhang, Weiguo; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Halasyamani, P. Shiv","Li2K4TiOGe4O12: A Stable Mid-Infrared Nonlinear Optical Material","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05267","","","0.71073","MoKα","","0.0196","0.0175","","","0.0296","0.03","","","","","","1.065","","","","has coordinates","246777","2020-10-21","18:00:00",""
"4003457","12.384","0.0003","17.0244","0.0003","13.5782","0.0003","90","","109.56","0.002","90","","2697.49","0.11","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cd N7 O5 -","- C29 H25 Cd N7 O5 -","- C116 H100 Cd4 N28 O20 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","x-ray","1.54184","CuKα","","0.0597","0.0562","","","0.1501","0.1537","","","","","","1.069","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003458","12.4074","0.0004","17.0305","0.0004","13.6005","0.0004","90","","109.67","0.004","90","","2706.15","0.15","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cd N7 O5 -","- C29 H25 Cd N7 O5 -","- C116 H100 Cd4 N28 O20 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","x-ray","1.54184","CuKα","","0.0687","0.0646","","","0.174","0.1797","","","","","","1.06","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003459","12.4369","0.0003","17.0361","0.0003","13.641","0.0003","90","","109.86","0.003","90","","2718.31","0.11","200","0.1","200","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cd N7 O5 -","- C29 H25 Cd N7 O5 -","- C116 H100 Cd4 N28 O20 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","x-ray","1.54184","CuKα","","0.0596","0.0555","","","0.1503","0.1551","","","","","","1.059","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003460","12.4534","0.0004","17.0371","0.0003","13.676","0.0003","90","","109.956","0.003","90","","2727.41","0.13","250.01","0.1","250.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cd N7 O5 -","- C29 H25 Cd N7 O5 -","- C116 H100 Cd4 N28 O20 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","x-ray","1.54184","CuKα","","0.0643","0.0584","","","0.1586","0.1656","","","","","","1.054","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003461","12.3259","0.0006","17.1167","0.0005","13.7003","0.0006","90","","110.171","0.005","90","","2713.2","0.2","300","0.1","300","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 Cd N7 O4 -","- C29 H23 Cd N7 O4 -","- C116 H92 Cd4 N28 O16 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","x-ray","1.54184","CuKα","","0.0743","0.0635","","","0.1762","0.1888","","","","","","1.031","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003462","11.344","0.002","17.292","0.002","13.719","0.003","90","","106.5","0.02","90","","2580.3","0.8","325","2","325","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 Cd N7 O3 -","- C29 H21 Cd N7 O3 -","- C116 H84 Cd4 N28 O12 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","","1.54184","CuKα","","0.1375","0.103","","","0.2471","0.2816","","","","","","1.067","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003463","10.503","0.0014","17.522","0.002","13.9074","0.0014","90","","105.134","0.012","90","","2470.7","0.5","350","2","350","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 Cd N7 O2 -","- C29 H19 Cd N7 O2 -","- C116 H76 Cd4 N28 O8 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","","1.54184","CuKα","","0.1834","0.0956","","","0.1935","0.2599","","","","","","1.065","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003464","10.4468","0.0014","17.562","0.004","13.972","0.003","90","","105.159","0.016","90","","2474.2","0.9","375","2","375","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 Cd N7 O2 -","- C29 H19 Cd N7 O2 -","- C116 H76 Cd4 N28 O8 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","","1.54184","CuKα","","0.4338","0.2917","","","0.5155","0.5901","","","","","","1.277","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003465","10.4358","0.0009","17.5707","0.001","13.982","0.002","90","","105.29","0.011","90","","2473.1","0.5","400","2","400","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 Cd N7 O2 -","- C29 H19 Cd N7 O2 -","- C116 H76 Cd4 N28 O8 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","","1.54184","CuKα","","0.3685","0.2924","","","0.5321","0.5814","","","","","","1.179","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003466","11.976","0.006","17.209","0.002","13.762","0.007","90","","108.69","0.05","90","","2687","2","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 Cd N7 O3 -","- C29 H21 Cd N7 O3 -","- C116 H84 Cd4 N28 O12 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","","1.54184","CuKα","","0.2454","0.1871","","","0.3572","0.3919","","","","","","1.079","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003467","12.284","0.0007","17.0978","0.0006","13.5939","0.0007","90","","109.45","0.006","90","","2692.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 Cd N7 O4 -","- C29 H23 Cd N7 O4 -","- C116 H92 Cd4 N28 O16 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","","1.54184","CuKα","","0.0851","0.0668","","","0.168","0.1893","","","","","","1.1","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003468","14.252","0.003","14.372","0.003","14.776","0.003","90","","90","","90","","3026.6","1.1","295","2","295","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- Pd15.54 Sc54.4 -","- Pd15.54 Sc55.4 -","- Pd31.08 Sc110.8 -","2","0.125","","Solokha, Pavlo; Eremin, Roman A.; Leisegang, Tilmann; Proserpio, Davide M.; Akhmetshina, Tatiana; Gurskaya, Albina; Saccone, Adriana; De Negri, Serena","New Quasicrystal Approximant in the Sc‒Pd System: From Topological Data Mining to the Bench","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03767","","","0.71073","MoKα","","0.0672","0.0374","","","0.0689","0.0766","","","","","","1.056","","","","has coordinates,has disorder","247263","2020-10-21","18:00:00",""
"4003469","14.2722","0.0007","14.3714","0.0007","14.7878","0.0007","90","","90","","90","","3033.1","0.3","295","2","295","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- Pd15.52 Sc54.98 -","- Pd15.516 Sc54.98 -","- Pd31.032 Sc109.96 -","2","0.125","","Solokha, Pavlo; Eremin, Roman A.; Leisegang, Tilmann; Proserpio, Davide M.; Akhmetshina, Tatiana; Gurskaya, Albina; Saccone, Adriana; De Negri, Serena","New Quasicrystal Approximant in the Sc‒Pd System: From Topological Data Mining to the Bench","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03767","","","0.71073","MoKα","","0.028","0.0245","","","0.0577","0.0591","","","","","","1.093","","","","has coordinates,has disorder","247263","2020-10-21","18:00:00",""
"4003470","5.9701","0.0001","11.8291","0.0002","11.8582","0.0002","90","","92.361","0.002","90","","836.73","0.02","293.52","0.1","293.52","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C H7 Br3 N2 Pb -","- C H7 Br3 N2 Pb -","- C4 H28 Br12 N8 Pb4 -","4","2","","Ma̧czka, Mirosl̷aw; Ptak, Maciej; Ga̧gor, Anna; Stefańska, Dagmara; Zarȩba, Jan K.; Sieradzki, Adam","Methylhydrazinium Lead Bromide: Noncentrosymmetric Three-Dimensional Perovskite with Exceptionally Large Framework Distortion and Green Photoluminescence","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05273","","x-ray","0.71073","MoKα","","0.0185","0.0176","","","0.0399","0.0401","","","","","","1.099","","","","has coordinates","247898","2020-10-21","18:00:00",""
"4003471","6.0354","0.0004","6.0354","0.0004","6.0354","0.0004","90","","90","","90","","219.85","0.03","430.01","0.1","430.01","0.1","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C H7 Br3 N2 Pb -","- C0.9996 Br3 N2.0004 Pb -","- C0.9996 Br3 N2.0004 Pb -","1","0.0208333","","Ma̧czka, Mirosl̷aw; Ptak, Maciej; Ga̧gor, Anna; Stefańska, Dagmara; Zarȩba, Jan K.; Sieradzki, Adam","Methylhydrazinium Lead Bromide: Noncentrosymmetric Three-Dimensional Perovskite with Exceptionally Large Framework Distortion and Green Photoluminescence","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05273","","x-ray","0.71073","MoKα","","0.0282","0.0267","","","0.0618","0.0637","","","","","","1.135","","","","has coordinates","247899","2020-10-21","18:00:00",""
"4003472","5.17589","0.00005","5.17589","0.00005","13.86668","0.00014","90","","90","","120","","321.716","0.005","298","","298","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- Fe0.09 Li0.82 Mn0.18 Nb0.91 O3 -","- Fe0.09 Li0.82 Mn0.18 Nb0.91 O3 -","- Fe0.54 Li4.92 Mn1.08 Nb5.46 O18 -","6","0.333333","","Han, Yifeng; Zhu, Chuanhui; Peng, Yi; Li, Shufang; Wu, MeiXia; Zhao, Shuang; Deng, Zheng; Jin, Changqing; Du, Wei; Walker, David; Li, Man-Rong","Above-Room-Temperature LiNbO3-Type Polar Magnet Stabilized by Chemical and Physical Pressure","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05051","","","0.69","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","294982","2024-10-02","07:20:12",""
"4003473","5.23421","0.00003","5.23421","0.00003","13.915","0.0001","90","","90","","120","","330.154","0.004","298","","298","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- Fe0.28 Li0.43 Mn0.57 Nb0.72 O3 -","- Fe0.29 Li0.43 Mn0.57 Nb0.71 O3 -","- Fe1.74 Li2.58 Mn3.42 Nb4.26 O18 -","6","0.333333","","Han, Yifeng; Zhu, Chuanhui; Peng, Yi; Li, Shufang; Wu, MeiXia; Zhao, Shuang; Deng, Zheng; Jin, Changqing; Du, Wei; Walker, David; Li, Man-Rong","Above-Room-Temperature LiNbO3-Type Polar Magnet Stabilized by Chemical and Physical Pressure","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05051","","","0.69","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","294982","2024-10-02","07:20:12",""
"4003474","5.22485","0.00003","5.22485","0.00003","13.9028","0.0001","90","","90","","120","","328.686","0.004","298","","298","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- Fe0.23 Li0.54 Mn0.46 Nb0.77 O3 -","- Fe0.23 Li0.54 Mn0.46 Nb0.77 O3 -","- Fe1.38 Li3.24 Mn2.76 Nb4.62 O18 -","6","0.333333","","Han, Yifeng; Zhu, Chuanhui; Peng, Yi; Li, Shufang; Wu, MeiXia; Zhao, Shuang; Deng, Zheng; Jin, Changqing; Du, Wei; Walker, David; Li, Man-Rong","Above-Room-Temperature LiNbO3-Type Polar Magnet Stabilized by Chemical and Physical Pressure","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05051","","","0.69","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","294982","2024-10-02","07:20:12",""
"4003475","5.19699","0.00001","5.19699","0.00001","13.87683","0.00004","90","","90","","120","","324.582","0.0013","298","","298","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- Fe0.17 Li0.67 Mn0.33 Nb0.83 O3 -","- Fe0.167 Li0.67 Mn0.33 Nb0.833 O3 -","- Fe1.002 Li4.02 Mn1.98 Nb4.998 O18 -","6","0.333333","","Han, Yifeng; Zhu, Chuanhui; Peng, Yi; Li, Shufang; Wu, MeiXia; Zhao, Shuang; Deng, Zheng; Jin, Changqing; Du, Wei; Walker, David; Li, Man-Rong","Above-Room-Temperature LiNbO3-Type Polar Magnet Stabilized by Chemical and Physical Pressure","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05051","","","0.69","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","294982","2024-10-02","07:20:12",""
"4003476","13.0283","0.00025","13.0283","0.00025","8.7499","0.00016","90","","90","","120","","1286.2","0.04","298","","298","","","","100","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C6 F9 Fe O6 -","- C6 F9 Fe O6 -","- C24 F36 Fe4 O24 -","4","0.666667","","Wörle, Michael; Guntlin, Christoph P.; Gyr, Luzia; Sougrati, Moulay T.; Lambert, Charles-Henri; Kravchyk, Kostiantyn V.; Zenobi, Renato; Kovalenko, Maksym V.","Structural Evolution of Iron(III) Trifluoroacetate upon Thermal Decomposition: Chains, Layers, and Rings","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05004","powder diffraction","x-ray","1.54051","CuKα~1~","","","","","","0.02483","","0.18385","","2.117","","","","","","","has coordinates","248087","2020-10-21","18:00:00",""
"4003477","7.13216","0.00031","7.53768","0.00025","11.25845","0.00029","90","","90","","90","","605.25","0.04","298","","298","","","","100","","","","","4","C m m a","-C 2a 2","67","","","","- C2 F5 Fe O2 -","- C2 F5 Fe O2 -","- C8 F20 Fe4 O8 -","4","0.25","","Wörle, Michael; Guntlin, Christoph P.; Gyr, Luzia; Sougrati, Moulay T.; Lambert, Charles-Henri; Kravchyk, Kostiantyn V.; Zenobi, Renato; Kovalenko, Maksym V.","Structural Evolution of Iron(III) Trifluoroacetate upon Thermal Decomposition: Chains, Layers, and Rings","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05004","powder diffraction","x-ray","1.54051","CuKα~1~","","","","","","0.02295","","0.13918","","1.809","","","","","","","has coordinates","248088","2020-10-21","18:00:00",""
"4003478","16.9559","0.0016","28.654","0.002","31.215","0.002","90","","90","","90","","15166","2","100","0.11","100","0.11","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 F56 Fe8 O32 -","- C32 F56 Fe8 O32 -","- C256 F448 Fe64 O256 -","8","1","","Wörle, Michael; Guntlin, Christoph P.; Gyr, Luzia; Sougrati, Moulay T.; Lambert, Charles-Henri; Kravchyk, Kostiantyn V.; Zenobi, Renato; Kovalenko, Maksym V.","Structural Evolution of Iron(III) Trifluoroacetate upon Thermal Decomposition: Chains, Layers, and Rings","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05004","","x-ray","1.54178","CuKα","","0.1869","0.1669","","","0.4568","0.4732","","","","","","2.098","","","","has coordinates,has disorder","248089","2020-10-21","18:00:00",""
"4003479","8.483","0.002","8.5123","0.0015","14.559","0.003","106.748","0.016","92.231","0.018","90.877","0.017","1005.6","0.4","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C10 F16 Fe2 O10 -","- C10 F16 Fe2 O10 -","- C20 F32 Fe4 O20 -","2","1","","Wörle, Michael; Guntlin, Christoph P.; Gyr, Luzia; Sougrati, Moulay T.; Lambert, Charles-Henri; Kravchyk, Kostiantyn V.; Zenobi, Renato; Kovalenko, Maksym V.","Structural Evolution of Iron(III) Trifluoroacetate upon Thermal Decomposition: Chains, Layers, and Rings","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05004","","x-ray","1.54184","CuKα","","0.1766","0.0996","","","0.2745","0.3125","","","","","","1.075","","","","has coordinates,has disorder","248090","2020-10-21","18:00:00",""
"4003480","11.7409","0.0005","11.0295","0.0004","12.9724","0.0005","90","","90","","90","","1679.88","0.11","473","","473","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C H6 B11 Br6 Li -","- C H6 B11 Br6 Li -","- C4 H24 B44 Br24 Li4 -","4","0.5","","Jørgensen, Mathias; Shea, Patrick T.; Tomich, Anton W.; Varley, Joel B.; Bercx, Marnik; Lovera, Sergio; Černý, Radovan; Zhou, Wei; Udovic, Terrence J.; Lavallo, Vincent; Jensen, Torben R.; Wood, Brandon C.; Stavila, Vitalie","Understanding Superionic Conductivity in Lithium and Sodium Salts of Weakly Coordinating Closo-Hexahalocarbaborate Anions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04383","powder diffraction","","","synchrotron","","","","","","","","","4.12","","","","","","","","has coordinates","248131","2020-10-21","18:00:00",""
"4003481","12.2381","0.0019","12.0569","0.0016","22.007","0.003","90","","90","","90","","3247.2","0.8","423","","423","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H6 B11 Cl6 Na -","- C H6 B11 Cl6 Na -","- C8 H48 B88 Cl48 Na8 -","8","1","","Jørgensen, Mathias; Shea, Patrick T.; Tomich, Anton W.; Varley, Joel B.; Bercx, Marnik; Lovera, Sergio; Černý, Radovan; Zhou, Wei; Udovic, Terrence J.; Lavallo, Vincent; Jensen, Torben R.; Wood, Brandon C.; Stavila, Vitalie","Understanding Superionic Conductivity in Lithium and Sodium Salts of Weakly Coordinating Closo-Hexahalocarbaborate Anions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04383","powder diffraction","","","synchrotron","","","","","","","","","4.0826","","","","","","","","has coordinates","248132","2020-10-21","18:00:00",""
"4003482","11.6879","0.0006","11.1093","0.0005","11.3771","0.0005","90","","90","","90","","1477.25","0.12","373","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","LiHCB11H5Cl6","","- C H6 B11 Cl6 Li -","- C H6 B11 Cl6 Li -","- C4 H24 B44 Cl24 Li4 -","4","0.5","","Jørgensen, Mathias; Shea, Patrick T.; Tomich, Anton W.; Varley, Joel B.; Bercx, Marnik; Lovera, Sergio; Černý, Radovan; Zhou, Wei; Udovic, Terrence J.; Lavallo, Vincent; Jensen, Torben R.; Wood, Brandon C.; Stavila, Vitalie","Understanding Superionic Conductivity in Lithium and Sodium Salts of Weakly Coordinating Closo-Hexahalocarbaborate Anions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04383","powder diffraction","","","Synchrotron","","","","","","","","","5.4943","","","","","","","","has coordinates","248133","2020-10-21","18:00:00",""
"4003483","18.9984","0.0003","3.80922","0.00006","26.9065","0.0004","90","","97.5378","0.0016","90","","1930.37","0.05","170","0.13","170","0.13","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 F2 O4 S4 -","- C20 H12 F2 O4 S4 -","- C80 H48 F8 O16 S16 -","4","0.5","","Li, Sunsun; Zhao, Wenchao; Zhang, Jianqi; Liu, Xiaoyu; Zheng, Zhong; He, Chang; Xu, Bowei; Wei, Zhixiang; Hou, Jianhui","Influence of Covalent and Noncovalent Backbone Rigidification Strategies on the Aggregation Structures of a Wide-Band-Gap Polymer for Photovoltaic Cells","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04971","","x-ray","1.54184","CuKα","","0.0348","0.0339","","","0.0968","0.0976","","","","","","1.087","","","","has coordinates,has disorder","248323","2020-10-21","18:00:00",""
"4003484","6.0661","0.0002","7.2535","0.0003","10.8143","0.0004","72.49","0.004","86.288","0.003","69.213","0.003","423.78","0.03","169.99","0.1","169.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 O4 S4 -","- C18 H12 O4 S4 -","- C18 H12 O4 S4 -","1","0.5","","Li, Sunsun; Zhao, Wenchao; Zhang, Jianqi; Liu, Xiaoyu; Zheng, Zhong; He, Chang; Xu, Bowei; Wei, Zhixiang; Hou, Jianhui","Influence of Covalent and Noncovalent Backbone Rigidification Strategies on the Aggregation Structures of a Wide-Band-Gap Polymer for Photovoltaic Cells","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04971","","x-ray","1.54184","CuKα","","0.1072","0.0993","","","0.2893","0.3011","","","","","","1.103","","","","has coordinates","248324","2020-10-21","18:00:00",""
"4003485","8.3518","0.0009","8.3518","0.0009","4.2368","0.0009","90","","90","","120","","255.93","0.07","120","2","120","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.0279","0.0255","","","0.042","0.0426","","","","","","0.989","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003486","8.3343","0.0016","8.3343","0.0016","4.2279","0.0016","90","","90","","120","","254.33","0.12","135","2","135","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.0303","0.026","","","0.043","0.0439","","","","","","1.031","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003487","8.3512","0.001","8.3512","0.001","4.2356","0.001","90","","90","","120","","255.83","0.07","170","2","170","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.0349","0.0299","","","0.0522","0.0542","","","","","","1.039","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003488","8.3486","0.0011","8.3486","0.0011","4.2342","0.0012","90","","90","","120","","255.58","0.09","190","2","190","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.0301","0.0263","","","0.0445","0.046","","","","","","1.046","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003489","8.3609","0.0008","8.3609","0.0008","4.2387","0.0008","90","","90","","120","","256.61","0.06","210","2","210","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.0294","0.026","","","0.0427","0.0436","","","","","","0.909","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003490","8.3512","0.0007","8.3512","0.0007","4.2343","0.0008","90","","90","","120","","255.75","0.06","230","2","230","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.0282","0.0249","","","0.0371","0.0378","","","","","","0.99","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003491","8.3561","0.0008","8.3561","0.0008","4.2354","0.0009","90","","90","","120","","256.11","0.06","250","2","250","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.027","0.0249","","","0.0447","0.0451","","","","","","1.103","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003492","8.359","0.002","8.359","0.002","4.231","0.003","90","","90","","120","","256","0.2","270","2","270","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.0329","0.0287","","","0.0498","0.0508","","","","","","1.044","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003493","8.3663","0.0015","8.3663","0.0015","4.2399","0.0016","90","","90","","120","","257.01","0.12","290","2","290","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.0374","0.0308","","","0.0473","0.0489","","","","","","1.055","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003494","20.5606","0.0005","20.5606","0.0005","20.5606","0.0005","90","","90","","90","","8691.8","0.4","146","2","146.41","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C60 H72 O32 Zr6 -","- C60 H96 O32 Zr6 -","- C240 H384 O128 Zr24 -","4","0.0208333","","Idrees, Karam B.; Chen, Zhijie; Zhang, Xuan; Mian, Mohammad Rasel; Drout, Riki J.; Islamoglu, Timur; Farha, Omar K.","Tailoring Pore Aperture and Structural Defects in Zirconium-Based Metal‒Organic Frameworks for Krypton/Xenon Separation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05048","","x-ray","0.71073","MoKα","","0.0928","0.0889","","","0.2536","0.2601","","","","","","1.136","","","","has coordinates,has disorder","248445","2020-10-21","18:00:00",""
"4003495","10.025","0.01","8.764","0.009","8.073","0.008","90","","90","","90","","709.3","1.2","296","2","296.15","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- B5 F3 O7 Pb -","- B5 F3 O7 Pb -","- B20 F12 O28 Pb4 -","4","0.5","","Han, Shujuan; Mutailipu, Miriding; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie","PbB5O7F3: A High-Performing Short-Wavelength Nonlinear Optical Material","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00150","","","0.71073","MoKα","","0.0261","0.0252","","","0.0418","0.0422","","","","","","0.948","","","","has coordinates","248531","2020-10-21","18:00:00",""
"4003496","8.396","0.0007","23.11","0.002","22.285","0.002","90","","90.626","0.003","90","","4323.7","0.6","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H30 Bi2 I10 N3 -","- C21 H30 Bi2 I10 N3 -","- C84 H120 Bi8 I40 N12 -","4","0.5","","Pious, Johnpaul K.; Muthu, Chinnadurai; Dani, Selgiya; Saeki, Akinori; Nair, Vijayakumar C.","Bismuth-Based Zero-Dimensional Perovskite-like Materials: Effect of Benzylammonium on Dielectric Confinement and Photoconductivity","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00390","","","0.71073","MoKα","","0.088","0.0856","","","0.1908","0.1931","","","","","","1.115","","","","has coordinates,has disorder","248596","2020-10-21","18:00:00",""
"4003497","5.0576","0.0005","6.2808","0.0006","8.3865","0.0008","87.68","0.002","88.647","0.001","89.031","0.001","266.08","0.04","296","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- I4 O12 Sn -","- I4 O12 Sn -","- I4 O12 Sn -","1","0.5","","Luo, Min; Liang, Fei; Hao, Xia; Lin, Donghong; Li, Bingxuan; Lin, Zheshuai; Ye, Ning","Rational Design of the Nonlinear Optical Response in a Tin Iodate Fluoride Sn(IO3)2F2","Chemistry of Materials","2020","32","6","2615","2620","10.1021/acs.chemmater.0c00196","","","0.71073","MoKα","","0.0291","0.0273","","","0.0643","0.0651","","","","","","1.264","","","","has coordinates","257100","2020-10-21","18:00:00",""
"4003498","5.436","0.013","9.91","0.02","6.281","0.015","90","","105.44","0.05","90","","326.2","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- F2 I2 O6 Sn -","- F2 I2 O6 Sn -","- F4 I4 O12 Sn2 -","2","1","","Luo, Min; Liang, Fei; Hao, Xia; Lin, Donghong; Li, Bingxuan; Lin, Zheshuai; Ye, Ning","Rational Design of the Nonlinear Optical Response in a Tin Iodate Fluoride Sn(IO3)2F2","Chemistry of Materials","2020","32","6","2615","2620","10.1021/acs.chemmater.0c00196","","","0.71073","MoKα","","0.0359","0.0328","","","0.065","0.0656","","","","","","0.905","","","","has coordinates","257100","2020-10-21","18:00:00",""
"4003499","5.498","0.0004","5.498","0.0004","9.211","0.001","90","","90","","90","","278.43","0.04","153","2","153","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Cu P S4 Zn -","- Cu P S4 Zn -","- Cu2 P2 S8 Zn2 -","2","0.125","","Li, Zhuang; Zhang, Shengzi; Huang, Zhiwei; Zhao, Li-Dong; Uykur, Ece; Xing, Wenhao; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","Molecular Construction from AgGaS2 to CuZnPS4: Defect-Induced Second Harmonic Generation Enhancement and Cosubstitution-Driven Band Gap Enlargement","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00609","","x-ray","0.71073","MoKα","","0.019","0.0189","","","0.0495","0.0495","","","","","","1.302","","","","has coordinates","249451","2020-10-21","18:00:00",""
"4003500","8.446","0.004","8.446","0.004","21.998","0.019","90","","90","","120","","1359","1.5","296","2","296","2","","","","","","","","5","P 65","P 65","170","","","","- Cs K Mo O9 P2 -","- Cs K Mo O9 P2 -","- Cs6 K6 Mo6 O54 P12 -","6","1","","Baiheti, Tuohetijiang; Han, Shujuan; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie","Alignment of Polar Moieties Leading to Strong Second Harmonic Response in KCsMoP2O9","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00610","","","0.71073","MoKα","","0.028","0.0263","","","0.055","0.0563","","","","","","1.046","","","","has coordinates","249579","2020-10-21","18:00:00",""
"4003501","8.7489","0.0002","8.7489","0.0002","18.9924","0.0009","90","","90","","90","","1453.74","0.08","173","2","173.15","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C30 H22 Co I2 N6 -","- C30 H22 Co I2 N6 -","- C60 H44 Co2 I4 N12 -","2","0.25","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.083","0.0472","","","0.0737","0.0821","","","","","","1.08","","","","has coordinates","249618","2020-10-21","18:00:00",""
"4003502","8.8299","0.0009","8.8299","0.0009","19.151","0.003","90","","90","","90","","1493.1","0.3","400","2","400","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C30 H22 Co I2 N6 -","- C30 H22 Co I2 N6 -","- C60 H44 Co2 I4 N12 -","2","0.25","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1488","0.0686","","","0.1019","0.1244","","","","","","1.061","","","","has coordinates","249619","2020-10-21","18:00:00",""
"4003503","20.3104","0.0009","15.1875","0.0007","24.1736","0.0012","90","","90","","90","","7456.7","0.6","60","2","59.97","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.025","0.022","","","0.0406","0.0412","","","","","","1.288","","","","has coordinates","249620","2020-10-21","18:00:00",""
"4003504","18.9848","0.0004","12.1745","0.0002","25.0029","0.0005","90","","91.073","0.002","90","","5777.92","0.19","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H26 Co F12 I8 N6 O -","- C49 H25 Co F12 I8 N6 O -","- C196 H100 Co4 F48 I32 N24 O4 -","4","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.0653","0.0358","","","0.0717","0.0768","","","","","","0.929","","","","has coordinates","249621","2020-10-21","18:00:00",""
"4003505","19.3934","0.0009","12.3384","0.0008","25.1198","0.0013","90","","91.371","0.004","90","","6009","0.6","385","2","385.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H22 Co F12 I8 N6 -","- C48 H22 Co F12 I8 N6 -","- C192 H88 Co4 F48 I32 N24 -","4","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1531","0.0934","","","0.2372","0.2824","","","","","","1.031","","","","has coordinates,has disorder","249622","2020-10-21","18:00:00",""
"4003506","20.314","0.003","15.056","0.0014","24.098","0.003","90","","90","","90","","7370.3","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1175","0.0737","","","0.1817","0.2101","","","","","","1.056","","","","has coordinates","249623","2020-10-21","18:00:00",""
"4003507","19.717","0.003","14.242","0.0014","23.529","0.003","90","","90","","90","","6607.2","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1256","0.0716","","","0.137","0.1542","","","","","","1.11","","","","has coordinates","249623","2020-10-21","18:00:00",""
"4003508","19.602","0.003","14.0363","0.0014","23.14","0.003","90","","90","","90","","6366.7","1.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1754","0.1153","","","0.2866","0.382","","","","","","1.438","","","","has coordinates,has disorder","249623","2020-10-21","18:00:00",""
"4003509","19.431","0.011","13.831","0.003","22.9","0.014","90","","90","","90","","6154","5","299","2","299.5","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.241","0.1513","","","0.3951","0.5534","","","","","","0.928","","","","has coordinates,has disorder","249623","2020-10-21","18:00:00",""
"4003510","15.174","0.0009","20.313","0.0012","24.0911","0.0015","90","","90","","90","","7425.6","0.8","30","2","30","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","2","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.0183","0.0167","","","0.0341","0.0346","","","","","","1.086","","","","has coordinates","249624","2020-10-21","18:00:00",""
"4003511","9.1962","0.0002","14.1731","0.0003","27.5921","0.0005","89.8991","0.0017","83.9449","0.0017","77.606","0.002","3492.1","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H26 Co F12 I14 N6 O -","- C55 H26 Co F12 I14 N6 O -","- C110 H52 Co2 F24 I28 N12 O2 -","2","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.0466","0.0281","","","0.05","0.0523","","","","","","0.909","","","","has coordinates","249625","2020-10-21","18:00:00",""
"4003512","19.2338","0.0004","12.1188","0.0003","25.0418","0.0007","90","","91.208","0.002","90","","5835.7","0.2","173.1","0.14","173.1","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H22 Co F12 I8 N6 -","- C48 H22 Co F12 I8 N6 -","- C192 H88 Co4 F48 I32 N24 -","4","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.0667","0.0535","","","0.1294","0.137","","","","","","1.107","","","","has coordinates,has disorder","249626","2020-10-21","18:00:00",""
"4003513","20.4236","0.0007","15.4026","0.0006","24.2096","0.0008","90","","90","","90","","7615.8","0.5","298","2","298.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Co(terpy)2]","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1049","0.0511","","","0.0891","0.1086","","","","","","1.06","","","","has coordinates","249627","2020-10-21","18:00:00",""
"4003514","20.3703","0.0003","15.2991","0.0002","24.2579","0.0003","90","","90","","90","","7559.91","0.18","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.0349","0.0235","","","0.0462","0.0479","","","","","","1.045","","","","has coordinates","249628","2020-10-21","18:00:00",""
"4003515","10.833","0.002","3.8355","0.0007","4.3954","0.0009","90","","90","","90","","182.63","0.06","250.72","","250.72","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ge Se -","- Ge Se -","- Ge4 Se4 -","4","0.5","","Murgatroyd, Philip A. E.; Smiles, Matthew J.; Savory, Christopher N.; Shalvey, Thomas P.; Swallow, Jack E. N.; Fleck, Nicole; Robertson, Craig M.; Jäckel, Frank; Alaria, Jonathan; Major, Jonathan D.; Scanlon, David O.; Veal, Tim D.","GeSe: Optical Spectroscopy and Theoretical Study of a van der Waals Solar Absorber","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00453","","","0.71073","MoKα","","0.0652","0.0578","","","0.193","0.2015","","","","","","1.224","","","","has coordinates","249629","2020-10-21","18:00:00",""
"4003516","16.151","0.008","11.854","0.005","6.795","0.004","90","","90","","90","","1300.9","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- H2 Lu N O7 Se -","- H2 Lu N O7 Se -","- H16 Lu8 N8 O56 Se8 -","8","1","","Wu, Chao; Li, Longhua; Lin, Lin; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","Enhancement of Second-Order Optical Nonlinearity in a Lutetium Selenite by Monodentate Anion Partial Substitution","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00034","","","0.71073","MoKα","","0.0586","0.0485","","","0.1377","0.1438","","","","","","1.133","","","","has coordinates","249828","2020-10-21","18:00:00",""
"4003517","6.4728","0.0004","6.8453","0.0005","16.2422","0.0011","90","","90","","90","","719.66","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H10 Lu2 O16 Se4 -","- H10 Lu2 O16 Se4 -","- H20 Lu4 O32 Se8 -","2","0.5","","Wu, Chao; Li, Longhua; Lin, Lin; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","Enhancement of Second-Order Optical Nonlinearity in a Lutetium Selenite by Monodentate Anion Partial Substitution","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00034","","","0.71073","MoKα","","0.0416","0.0377","","","0.0954","0.097","","","","","","1.076","","","","has coordinates","249829","2020-10-21","18:00:00",""
"4003518","9.883","0.003","9.883","0.003","7.066","0.002","90","","90","","120","","597.7","0.3","273","2","273","2","","","","","","","","4","P 63","P 6c","173","","","","- F Lu3 O12 Se4 -","- F Lu3 O12 Se4 -","- F2 Lu6 O24 Se8 -","2","0.333333","","Wu, Chao; Li, Longhua; Lin, Lin; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","Enhancement of Second-Order Optical Nonlinearity in a Lutetium Selenite by Monodentate Anion Partial Substitution","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00034","","","0.71073","MoKα","","0.0245","0.0238","","","0.055","0.0554","","","","","","1.066","","","","has coordinates","249830","2020-10-21","18:00:00",""
"4003519","11.2329","0.0004","6.755","0.0002","24.0196","0.0009","90","","92.993","0.001","90","","1820.08","0.11","90","0.2","90","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 F6 N O2 P S -","- C17 H19 F6 N O2 P S -","- C68 H76 F24 N4 O8 P4 S4 -","4","1","","Kaur, Aman Preet; Harris, Oliver C.; Attanayake, N. Harsha; Liang, Zhiming; Parkin, Sean R.; Tang, Maureen H.; Odom, Susan A.","Quantifying Environmental Effects on the Solution and Solid-State Stability of a Phenothiazine Radical Cation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05345","","","0.71073","MoKα","","0.048","0.0395","","","0.0938","0.0995","","","","","","1.057","","","","has coordinates","250003","2020-10-21","18:00:00",""
"4003520","7.0156","0.0005","12.6773","0.0008","19.2635","0.0009","90","","96.856","0.002","90","","1701.02","0.18","90","0.2","90","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Cl N O6 S -","- C17 H19 Cl N O6 S -","- C68 H76 Cl4 N4 O24 S4 -","4","1","","Kaur, Aman Preet; Harris, Oliver C.; Attanayake, N. Harsha; Liang, Zhiming; Parkin, Sean R.; Tang, Maureen H.; Odom, Susan A.","Quantifying Environmental Effects on the Solution and Solid-State Stability of a Phenothiazine Radical Cation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05345","","","0.71073","MoKα","","0.036","0.0306","","","0.0738","0.0773","","","","","","1.075","","","","has coordinates","250004","2020-10-21","18:00:00",""
"4003521","10.2318","0.0003","6.8098","0.0002","24.3279","0.0009","90","","93.294","0.001","90","","1692.28","0.09","90","0.2","90","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 B F4 N O2 S -","- C17 H19 B F4 N O2 S -","- C68 H76 B4 F16 N4 O8 S4 -","4","1","","Kaur, Aman Preet; Harris, Oliver C.; Attanayake, N. Harsha; Liang, Zhiming; Parkin, Sean R.; Tang, Maureen H.; Odom, Susan A.","Quantifying Environmental Effects on the Solution and Solid-State Stability of a Phenothiazine Radical Cation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05345","","","0.71073","MoKα","","0.0491","0.0353","","","0.0774","0.0845","","","","","","1.088","","","","has coordinates","250005","2020-10-21","18:00:00",""
"4003522","9.1677","0.0002","16.9681","0.0004","15.439","0.0003","90","","100.766","0.001","90","","2359.39","0.09","90","0.2","90","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 F6 N2 O6 S3 -","- C19 H19 F6 N2 O6 S3 -","- C76 H76 F24 N8 O24 S12 -","4","1","","Kaur, Aman Preet; Harris, Oliver C.; Attanayake, N. Harsha; Liang, Zhiming; Parkin, Sean R.; Tang, Maureen H.; Odom, Susan A.","Quantifying Environmental Effects on the Solution and Solid-State Stability of a Phenothiazine Radical Cation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05345","","","0.71073","MoKα","","0.0355","0.0309","","","0.0778","0.0811","","","","","","1.04","","","","has coordinates","250006","2020-10-21","18:00:00",""
"4003523","9.9327","0.0005","9.829","0.0005","33.11","0.0018","90","","96.721","0.002","90","","3210.3","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C120 H168 N12 O36 -","6","3","","Ghosh, Dipankar; Farahani, Abbas D.; Martin, Adam D.; Thordarson, Pall; Damodaran, Krishna K.","Unraveling the Self-Assembly Modes in Multicomponent Supramolecular Gels Using Single-Crystal X-ray Diffraction","Chemistry of Materials","2020","32","8","3517","3527","10.1021/acs.chemmater.0c00475","","","1.54178","CuKα","","0.0376","0.0366","","","0.0915","0.0924","","","","","","1.037","","","","has coordinates,has disorder","257096","2020-10-21","18:00:00",""
"4003524","9.9333","0.0005","9.8326","0.0005","33.0974","0.0016","90","","96.739","0.002","90","","3210.3","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C120 H168 N12 O36 -","6","3","","Ghosh, Dipankar; Farahani, Abbas D.; Martin, Adam D.; Thordarson, Pall; Damodaran, Krishna K.","Unraveling the Self-Assembly Modes in Multicomponent Supramolecular Gels Using Single-Crystal X-ray Diffraction","Chemistry of Materials","2020","32","8","3517","3527","10.1021/acs.chemmater.0c00475","","","1.54178","CuKα","","0.0378","0.0367","","","0.0947","0.0957","","","","","","1.022","","","","has coordinates,has disorder","257096","2020-10-21","18:00:00",""
"4003525","9.8888","0.0004","15.5","0.0006","15.1398","0.0006","90","","104.637","0.001","90","","2245.26","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C80 H112 N8 O24 -","4","1","","Ghosh, Dipankar; Farahani, Abbas D.; Martin, Adam D.; Thordarson, Pall; Damodaran, Krishna K.","Unraveling the Self-Assembly Modes in Multicomponent Supramolecular Gels Using Single-Crystal X-ray Diffraction","Chemistry of Materials","2020","32","8","3517","3527","10.1021/acs.chemmater.0c00475","","","1.54178","CuKα","","0.0529","0.0495","","","0.1421","0.1457","","","","","","1.04","","","","has coordinates","257096","2020-10-21","18:00:00",""
"4003526","16.0197","0.001","6.7614","0.0004","9.9344","0.0006","90","","104.48","0.002","90","","1041.87","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C40 H56 N4 O12 -","2","0.5","","Ghosh, Dipankar; Farahani, Abbas D.; Martin, Adam D.; Thordarson, Pall; Damodaran, Krishna K.","Unraveling the Self-Assembly Modes in Multicomponent Supramolecular Gels Using Single-Crystal X-ray Diffraction","Chemistry of Materials","2020","32","8","3517","3527","10.1021/acs.chemmater.0c00475","","","1.54178","CuKα","","0.0469","0.0428","","","0.1156","0.119","","","","","","1.084","","","","has coordinates","257096","2020-10-21","18:00:00",""
"4003527","11.4483","0.0006","8.1332","0.0005","7.8077","0.0004","90","","90.239","0.004","90","","726.98","0.07","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- I5 K2 Na O14 -","- I5 K2 Na O14 -","- I10 K4 Na2 O28 -","2","1","","Abudouwufu, Tushagu; Zhang, Min; Cheng, Shichao; Zeng, Hao; Yang, Zhihua; Pan, Shilie","K2Na(IO3)2(I3O8) with Strong Second Harmonic Generation Response Activated by Two Types of Isolated Iodate Anions","Chemistry of Materials","2020","32","8","3608","3614","10.1021/acs.chemmater.0c00878","","","0.71073","MoKα","","0.0421","0.0391","","","0.0862","0.0881","","","","","","1.029","","","","has coordinates","257098","2020-10-21","18:00:00",""
"4003528","25.92","0.02","25.92","0.02","6.857","0.006","90","","90","","120","","3990","6","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","Zn2(dobdc)(CO2)1.0","","","- C9 H2 O7.99 Zn2 -","- C9 H2 O8 Zn2 -","- C81 H18 O72 Zn18 -","9","0.5","","Forse, Alexander C.; Colwell, Kristen A.; Gonzalez, Miguel I.; Benders, Stefan; Torres-Gavosto, Rodolfo M.; Blümich, Bernhard; Reimer, Jeffrey A.; Long, Jeffrey R.","Influence of Pore Size on Carbon Dioxide Diffusion in Two Isoreticular Metal‒Organic Frameworks","Chemistry of Materials","2020","32","8","3570","3576","10.1021/acs.chemmater.0c00745","","","0.7288","synchrotron","","0.1231","0.0752","","","0.1815","0.2071","","","","","","1.089","","","","has coordinates","257097","2020-10-21","18:00:00",""
"4003529","25.931","0.018","25.931","0.018","6.839","0.005","90","","90","","120","","3983","5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","Zn2(dobdc)(CO2)2.0","","","- C9.98 H2 O9.96 Zn2 -","- C9.986 H2 O9.966 Zn2 -","- C89.874 H18 O89.694 Zn18 -","9","0.5","","Forse, Alexander C.; Colwell, Kristen A.; Gonzalez, Miguel I.; Benders, Stefan; Torres-Gavosto, Rodolfo M.; Blümich, Bernhard; Reimer, Jeffrey A.; Long, Jeffrey R.","Influence of Pore Size on Carbon Dioxide Diffusion in Two Isoreticular Metal‒Organic Frameworks","Chemistry of Materials","2020","32","8","3570","3576","10.1021/acs.chemmater.0c00745","","","0.7288","synchrotron","","0.0877","0.0646","","","0.1657","0.1813","","","","","","1.032","","","","has coordinates,has disorder","257097","2020-10-21","18:00:00",""
"4003530","7.137","0.002","7.605","0.002","10.036","0.002","87.757","0.004","77.802","0.004","80.176","0.003","524.6","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag Ga I4 O12 -","- Ag Ga I4 O12 -","- Ag2 Ga2 I8 O24 -","2","1","","Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min","Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates","Chemistry of Materials","2020","32","8","3621","3630","10.1021/acs.chemmater.0c01054","","x-ray","0.63","synchrotron","","0.0366","0.0358","","","0.1001","0.1007","","","","","","1.146","","","","has coordinates","257099","2020-10-21","18:00:00",""
"4003531","7.342","0.0015","15.218","0.003","14.997","0.003","90","","101.01","0.03","90","","1644.8","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ag3 I12 In3 O36 -","- Ag3 I12 In3 O36 -","- Ag6 I24 In6 O72 -","2","0.5","","Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min","Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates","Chemistry of Materials","2020","32","8","3621","3630","10.1021/acs.chemmater.0c01054","","x-ray","0.63","synchrotron","","0.0543","0.0494","","","0.144","0.1462","","","","","","1.112","","","","has coordinates","257099","2020-10-21","18:00:00",""
"4003532","8.116","0.0016","10.426","0.002","11.11","0.002","75.09","0.03","89.91","0.03","76.2","0.03","880.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag3 I6 In O18 -","- Ag3 I6 In O18 -","- Ag6 I12 In2 O36 -","2","1","","Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min","Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates","Chemistry of Materials","2020","32","8","3621","3630","10.1021/acs.chemmater.0c01054","","x-ray","0.63","synchrotron","","0.0465","0.0457","","","0.1303","0.1312","","","","","","1.064","","","","has coordinates","257099","2020-10-21","18:00:00",""
"4003533","7.5396","0.0003","7.5656","0.0003","7.595","0.0003","99.546","0.001","96.843","0.001","96.51","0.001","420.25","0.03","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- Ga H I6 K2 O18 -","- Ga H I6 K2 O18 -","- Ga H I6 K2 O18 -","1","0.5","","Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min","Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates","Chemistry of Materials","2020","32","8","3621","3630","10.1021/acs.chemmater.0c01054","","","0.71073","MoKα","","0.0342","0.0292","","","0.0626","0.0687","","","","","","1.238","","","","has coordinates","257099","2020-10-21","18:00:00",""
"4003534","7.6379","0.0005","7.6553","0.0005","7.6882","0.0005","99.145","0.002","96.914","0.002","97.321","0.002","435.64","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- Ga H I6 O18 Rb2 -","- Ga H I6 O18 Rb2 -","- Ga H I6 O18 Rb2 -","1","0.5","","Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min","Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates","Chemistry of Materials","2020","32","8","3621","3630","10.1021/acs.chemmater.0c01054","","","0.71073","MoKα","","0.0396","0.0392","","","0.0976","0.0978","","","","","","1.266","","","","has coordinates","257099","2020-10-21","18:00:00",""
"4003535","5.7416","0.0004","11.4227","0.0002","11.4054","0.0003","90","","90","","90","","748.02","0.06","360.1","0.1","360.1","0.1","","","","","","","","5","P b 21 m","P -2 -2b","26","","","","- C H7 Cl3 N2 Pb -","- C H7 Cl3 N2 Pb -","- C4 H28 Cl12 N8 Pb4 -","4","1","","Ma̧czka, Mirosław; Gagor, Anna; Zarȩba, Jan K.; Stefanska, Dagmara; Drozd, Marek; Balciunas, Sergejus; Šimėnas, Mantas; Banys, Juras; Sieradzki, Adam","Three-Dimensional Perovskite Methylhydrazinium Lead Chloride with Two Polar Phases and Unusual Second-Harmonic Generation Bistability above Room Temperature","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00973","","x-ray","0.71073","MoKα","","0.0329","0.031","","","0.0728","0.0748","","","","","","1.053","","","","has coordinates","251025","2020-10-21","18:00:00",""
"4003536","5.7266","0.0001","11.3396","0.0002","11.3926","0.0002","90","","92.332","0.002","90","","739.19","0.02","300","1","300","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C H7 Cl3 N2 Pb -","- C H7 Cl3 N2 Pb -","- C4 H28 Cl12 N8 Pb4 -","4","2","","Ma̧czka, Mirosław; Gagor, Anna; Zarȩba, Jan K.; Stefanska, Dagmara; Drozd, Marek; Balciunas, Sergejus; Šimėnas, Mantas; Banys, Juras; Sieradzki, Adam","Three-Dimensional Perovskite Methylhydrazinium Lead Chloride with Two Polar Phases and Unusual Second-Harmonic Generation Bistability above Room Temperature","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00973","","x-ray","0.71073","MoKα","","0.0283","0.0272","","","0.0606","0.0615","","","","","","1.071","","","","has coordinates","251026","2020-10-21","18:00:00",""
"4003537","9.9645","0.0001","15.8391","0.0001","21.1899","0.0002","90","","94.026","0.001","90","","3336.12","0.05","104","1","104","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H50 N28 O Zn5 -","- C66 H50 N28 O Zn5 -","- C132 H100 N56 O2 Zn10 -","2","1","","Lyndon, Richelle; You, Wenqin; Ma, Yao; Bacsa, John; Gong, Yutao; Stangland, Eric E.; Walton, Krista S.; Sholl, David S.; Lively, Ryan P.","Tuning the Structures of Metal‒Organic Frameworks via a Mixed-Linker Strategy for Ethylene/Ethane Kinetic Separation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04177","","x-ray","1.54184","CuKα","","0.0448","0.0407","","","0.0956","0.0981","","","","","","1.039","","","","has coordinates,has disorder","251274","2020-10-21","18:00:00",""
"4003538","3.9308","0.0008","3.9308","0.0008","7.0919","0.0014","90","","90","","90","","109.58","0.04","296","2","296","2","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- As Mn Pt5 -","- As Mn Pt5 -","- As Mn Pt5 -","1","0.0625","","Gui, Xin; Xie, Weiwei","Crystal Structure, Magnetism, and Electronic Properties of a Rare-Earth-Free Ferromagnet: MnPt5As","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00244","","","0.71073","MoKα","","0.0312","0.0273","","","0.0726","0.0752","","","","","","1.163","","","","has coordinates","251408","2020-10-21","18:00:00",""
"4003539","19.7678","0.0016","30.778","0.002","5.8368","0.0005","90","","90","","90","","3551.2","0.5","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H15 N O Te -","- C23 H15 N O Te -","- C184 H120 N8 O8 Te8 -","8","2","","Chen, Hao; Deng, Yihua; Zhu, Xiangyu; Wang, Lu; Lv, Lei; Wu, Xiaoxi; Li, Zijie; Shi, Qinqin; Peng, Aidong; Peng, Qian; Shuai, Zhigang; Zhao, Zujin; Chen, Huajie; Huang, Hui","Toward Achieving Single-Molecule White Electroluminescence from Dual Emission of Fluorescence and Phosphorescence","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00710","","","0.71073","MoKα","","0.0563","0.0392","","","0.0973","0.1043","","","","","","1.077","","","","has coordinates","251500","2020-10-21","18:00:00",""
"4003540","6.2684","0.0002","15.7449","0.0006","17.5392","0.0006","90","","94.1879","0.0011","90","","1726.42","0.1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N O Se -","- C23 H15 N O Se -","- C92 H60 N4 O4 Se4 -","4","1","","Chen, Hao; Deng, Yihua; Zhu, Xiangyu; Wang, Lu; Lv, Lei; Wu, Xiaoxi; Li, Zijie; Shi, Qinqin; Peng, Aidong; Peng, Qian; Shuai, Zhigang; Zhao, Zujin; Chen, Huajie; Huang, Hui","Toward Achieving Single-Molecule White Electroluminescence from Dual Emission of Fluorescence and Phosphorescence","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00710","","","0.71073","MoKα","","0.0501","0.0388","","","0.1174","0.1267","","","","","","1.01","","","","has coordinates","251501","2020-10-21","18:00:00",""
"4003541","6.2132","0.0002","15.7432","0.0006","17.4235","0.0007","90","","94.8272","0.0012","90","","1698.25","0.11","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H13.5 N O S -","- C23 H15 N O S -","- C92 H60 N4 O4 S4 -","4","1","","Chen, Hao; Deng, Yihua; Zhu, Xiangyu; Wang, Lu; Lv, Lei; Wu, Xiaoxi; Li, Zijie; Shi, Qinqin; Peng, Aidong; Peng, Qian; Shuai, Zhigang; Zhao, Zujin; Chen, Huajie; Huang, Hui","Toward Achieving Single-Molecule White Electroluminescence from Dual Emission of Fluorescence and Phosphorescence","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00710","","","0.71073","MoKα","","0.0832","0.0561","","","0.1442","0.159","","","","","","1.039","","","","has coordinates","251502","2020-10-21","18:00:00",""
"4003542","17.575","0.008","16.067","0.007","9.31","0.004","90","","90","","90","","2629","2","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H42 In N9 -","- C18 H36 In N8 -","- C72 H144 In4 N32 -","4","0.5","","O’Brien, Nathan J.; Rouf, Polla; Samii, Rouzbeh; Rönnby, Karl; Buttera, Sydney C.; Hsu, Chih-Wei; Ivanov, Ivan G.; Kessler, Vadim; Ojamäe, Lars; Pedersen, Henrik","In Situ Activation of an Indium(III) Triazenide Precursor for Epitaxial Growth of Indium Nitride by Atomic Layer Deposition","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05171","","","0.71073","MoKα","","0.1061","0.0945","","","0.2309","0.2368","","","","","","0.986","","","","has coordinates","252176","2020-10-21","18:00:00",""
"4003543","23.515","0.003","23.515","0.003","11.052","0.002","90","","90","","120","","5292.5","1.4","296","2","296","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C32 H26 Cu2 N2 O10 -","- C32 H26 Cu2 N2 O10 -","- C96 H78 Cu6 N6 O30 -","3","0.25","","Krause, Simon; Reuter, Florian S.; Ehrling, Sebastian; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Brunner, Eike","Impact of Defects and Crystal Size on Negative Gas Adsorption in DUT-49 Analyzed by In Situ 129Xe NMR Spectroscopy","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01059","","","0.88561","synchrotron","","0.112","0.1039","","","0.3214","0.3435","","","","","","1.273","","","","has coordinates","252213","2020-10-21","18:00:00",""
"4003544","12.952","0.0007","14.343","0.0007","14.3389","0.0007","90","","94.966","0.002","90","","2653.7","0.2","100","2","99.99","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 F4 I10 N4 Sb2 -","- C32 H44 F4 I10 N4 Sb2 -","- C64 H88 F8 I20 N8 Sb4 -","2","1","","Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna","Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01605","","","0.71073","MoKα","","0.0189","0.0172","","","0.0381","0.0385","","","","","","1.199","","","","has coordinates,has disorder","252244","2020-10-21","18:00:00",""
"4003545","12.3557","0.0005","13.4134","0.0006","14.4815","0.0006","90","","95.5638","0.0013","90","","2388.74","0.17","100","2","99.99","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Br10 F4 N4 Sb2 -","- C32 H44 Br10 F4 N4 Sb2 -","- C64 H88 Br20 F8 N8 Sb4 -","2","1","","Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna","Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01605","","","0.71073","MoKα","","0.0247","0.02","","","0.0372","0.0383","","","","","","0.972","","","","has coordinates","252245","2020-10-21","18:00:00",""
"4003546","12.2017","0.0006","14.1185","0.0007","14.0742","0.0007","90","","95.2271","0.0017","90","","2414.5","0.2","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Bi2 Br10 F4 N4 -","- C32 H44 Bi2 Br10 F4 N4 -","- C64 H88 Bi4 Br20 F8 N8 -","2","1","","Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna","Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01605","","","0.71073","MoKα","","0.0541","0.0444","","","0.1277","0.136","","","","","","1.043","","","","has coordinates,has disorder","252246","2020-10-21","18:00:00",""
"4003547","11.7357","0.0005","13.9008","0.0006","13.9806","0.0006","90","","95.5476","0.0014","90","","2270.05","0.17","100","","99.99","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Bi2 Cl10 F4 N4 -","- C32 H44 Bi2 Cl10 F4 N4 -","- C64 H88 Bi4 Cl20 F8 N8 -","2","1","","Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna","Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01605","","","0.71073","MoKα","","0.0341","0.0272","","","0.061","0.0643","","","","","","1.108","","","","has coordinates,has disorder","252247","2020-10-21","18:00:00",""
"4003548","11.8394","0.0007","12.8214","0.0007","14.8843","0.0009","90","","95.0706","0.0019","90","","2250.6","0.2","100","2","100.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Cl10 F4 N4 Sb2 -","- C32 H44 Cl10 F4 N4 Sb2 -","- C64 H88 Cl20 F8 N8 Sb4 -","2","1","","Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna","Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01605","","","0.71073","MoKα","","0.0234","0.0195","","","0.0365","0.0374","","","","","","1.046","","","","has coordinates","252248","2020-10-21","18:00:00",""
"4003549","12.9207","0.0005","14.6156","0.0005","14.2779","0.0005","90","","94.3351","0.0014","90","","2688.58","0.17","100","2","100.02","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Bi2 F4 I10 N4 -","- C32 H44 Bi2 F4 I10 N4 -","- C64 H88 Bi4 F8 I20 N8 -","2","1","","Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna","Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01605","","","0.71073","MoKα","","0.0396","0.0268","","","0.0402","0.0429","","","","","","0.953","","","","has coordinates","252249","2020-10-21","18:00:00",""
"4003550","17.348","0.0004","17.348","0.0004","22.6258","0.0006","90","","90","","120","","5897","0.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H24 Br4 N2 Pb -","- C24 H24 Br4 N2 Pb -","- C216 H216 Br36 N18 Pb9 -","9","0.5","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.0924","0.0452","","","0.0553","0.0666","","","","","","1.013","","","","has coordinates","252250","2020-10-21","18:00:00",""
"4003551","17.1827","0.0007","17.1827","0.0007","21.6452","0.0012","90","","90","","120","","5534.5","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H24 Cl4 N2 Pb -","- C24 H24 Cl4 N2 Pb -","- C216 H216 Cl36 N18 Pb9 -","9","0.5","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.0694","0.0445","","","0.0731","0.0839","","","","","","1.039","","","","has coordinates","252250","2020-10-21","18:00:00",""
"4003552","15.4933","0.0003","15.4933","0.0003","24.3672","0.0004","90","","90","","120","","5065.52","0.16","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C14 H18 Br4 N4 O2 Pb -","- C14 H18 Br4 N4 O2 Pb -","- C126 H162 Br36 N36 O18 Pb9 -","9","0.5","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.0532","0.039","","","0.0998","0.107","","","","","","1.039","","","","has coordinates","252250","2020-10-21","18:00:00",""
"4003553","11.1106","0.0005","15.942","0.0009","19.7704","0.001","103.424","0.002","91.033","0.002","93.167","0.002","3399.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H54 Br12 N12 O2 Pb3 S2 -","- C46 H54 Br12 N12 O2 Pb3 S2 -","- C92 H108 Br24 N24 O4 Pb6 S4 -","2","1","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.145","0.0626","","","0.1009","0.1327","","","","","","1.023","","","","has coordinates,has disorder","252250","2020-10-21","18:00:00",""
"4003554","11.7951","0.0011","7.8822","0.0007","11.8001","0.0011","90","","101.304","0.002","90","","1075.79","0.17","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H12 I3 N Pb -","- C12 H12 I3 N Pb -","- C24 H24 I6 N2 Pb2 -","2","0.5","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.1407","0.0554","","","0.1416","0.1769","","","","","","1.028","","","","has coordinates,has disorder","252250","2020-10-21","18:00:00",""
"4003555","7.887","0.0003","10.0639","0.0003","15.1133","0.0005","90","","90","","90","","1199.6","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 Br3 N Pb -","- C7 H10 Br3 N Pb -","- C28 H40 Br12 N4 Pb4 -","4","1","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.0498","0.0361","","","0.0678","0.0727","","","","","","0.991","","","","has coordinates","252250","2020-10-21","18:00:00",""
"4003556","10.9668","0.0005","11.963","0.0005","12.1132","0.0006","114.818","0.002","91.946","0.002","96.673","0.002","1426.61","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Br5 N2 Pb1.5 -","- C20 H32 Br5 N2 Pb1.5 -","- C40 H64 Br10 N4 Pb3 -","2","1","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.0857","0.0462","","","0.0612","0.0727","","","","","","1.008","","","","has coordinates","252250","2020-10-21","18:00:00",""
"4003557","7.7918","0.0007","11.1156","0.0009","14.7794","0.0012","90.295","0.002","98.934","0.002","100.308","0.002","1243.4","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H7 Br3 N O Pb -","- C7 H10 Br3 N O Pb -","- C28 H40 Br12 N4 O4 Pb4 -","4","2","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.1173","0.0579","","","0.1004","0.123","","","","","","1.036","","","","has coordinates","252250","2020-10-21","18:00:00",""
"4003558","11.5583","0.0006","11.6234","0.0005","17.3131","0.0007","80.299","0.004","74.26","0.004","89.849","0.004","2204.45","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 Br8 N4 Sn2 -","- C32 H48 Br8 N4 Sn2 -","- C64 H96 Br16 N8 Sn4 -","2","1","","Xu, Liang-Jin; Lin, Haoran; Lee, Sujin; Zhou, Chenkun; Worku, Michael; Chaaban, Maya; He, Qingquan; Plaviak, Anna; Lin, Xinsong; Chen, Banghao; Du, Mao-Hua; Ma, Biwu","0D and 2D: The Cases of Phenylethylammonium Tin Bromide Hybrids","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01254","","","0.71073","MoKα","","0.0479","0.0393","","","0.1038","0.1099","","","","","","0.946","","","","has coordinates","252251","2020-10-21","18:00:00",""
"4003559","17.055","0.0006","10.0193","0.0003","37.8344","0.0014","90","","101.131","0.004","90","","6343.5","0.4","99.99","0.1","99.99","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50 H76 Br8 Cl4 N6 Sn -","- C50 H76 Br8 Cl4 N6 Sn -","- C200 H304 Br32 Cl16 N24 Sn4 -","4","1","","Xu, Liang-Jin; Lin, Haoran; Lee, Sujin; Zhou, Chenkun; Worku, Michael; Chaaban, Maya; He, Qingquan; Plaviak, Anna; Lin, Xinsong; Chen, Banghao; Du, Mao-Hua; Ma, Biwu","0D and 2D: The Cases of Phenylethylammonium Tin Bromide Hybrids","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01254","","x-ray","0.71073","MoKα","","0.0335","0.0285","","","0.0569","0.058","","","","","","1.049","","","","has coordinates,has disorder","252252","2020-10-21","18:00:00",""
"4003560","5.0991","0.0002","5.3298","0.0002","8.8729","0.0003","90","","90","","90","","241.14","0.015","323","","323","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- In2 Li O6 Sb -","- In2 Li O6 Sb -","- In4 Li2 O12 Sb2 -","2","0.25","","Flynn, Steven; Sanghvi, Sheel; Nisbet, Matthew L.; Griffith, Kent J.; Zhang, Weiguo; Halasyamani, P. Shiv; Haile, Sossina M.; Poeppelmeier, Kenneth R.","LiIn2SbO6: A New Rutile-Related Structure Type with Unique Ion Channels","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01491","","","0.71073","MoKα","","0.0234","0.0194","","","0.0507","0.0537","","","","","","1.055","","","","has coordinates","252282","2020-10-21","18:00:00",""
"4003561","5.117","0.0003","5.3335","0.0003","8.8794","0.0006","90","","90","","90","","242.33","0.03","500","","500.01","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- In2 Li O6 Sb -","- In2 Li O6 Sb -","- In4 Li2 O12 Sb2 -","2","0.25","","Flynn, Steven; Sanghvi, Sheel; Nisbet, Matthew L.; Griffith, Kent J.; Zhang, Weiguo; Halasyamani, P. Shiv; Haile, Sossina M.; Poeppelmeier, Kenneth R.","LiIn2SbO6: A New Rutile-Related Structure Type with Unique Ion Channels","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01491","","","0.71073","MoKα","","0.0317","0.026","","","0.0659","0.0735","","","","","","0.968","","","","has coordinates","252283","2020-10-21","18:00:00",""
"4003562","5.0902","0.0004","5.3328","0.0004","8.8813","0.0006","90","","90","","90","","241.08","0.03","100","2","99.96","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- In2 Li O6 Sb -","- In2 Li O6 Sb -","- In4 Li2 O12 Sb2 -","2","0.25","","Flynn, Steven; Sanghvi, Sheel; Nisbet, Matthew L.; Griffith, Kent J.; Zhang, Weiguo; Halasyamani, P. Shiv; Haile, Sossina M.; Poeppelmeier, Kenneth R.","LiIn2SbO6: A New Rutile-Related Structure Type with Unique Ion Channels","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01491","","","0.71073","MoKα","","0.0241","0.0206","","","0.0547","0.0567","","","","","","1.134","","","","has coordinates","252284","2020-10-21","18:00:00",""
"4003563","6.7349","0.0013","7.8881","0.0016","7.8913","0.0016","106.69","0.03","100.39","0.03","100.56","0.03","382.49","0.17","113","2","113","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H9 N5 O -","- C19 H2 N5 O -","- C19 H2 N5 O -","1","1","","Liu, Kun; Lei, Yilong; Fu, Hongbing","A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01184","","","0.71073","MoKα","","0.0721","0.0615","","","0.1748","0.1898","","","","","","1.021","","","","has coordinates,has disorder","252540","2020-10-21","18:00:00",""
"4003564","7.2068","0.0014","7.9426","0.0016","30.646","0.006","90","","91.47","0.03","90","","1753.6","0.6","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19.2 H9.6 N3.2 -","- C19.2 H9.6 N3.2 -","- C96 H48 N16 -","5","1.25","","Liu, Kun; Lei, Yilong; Fu, Hongbing","A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01184","","","0.71073","MoKα","","0.1005","0.0554","","","0.1115","0.1297","","","","","","1.06","","","","has coordinates","252541","2020-10-21","18:00:00",""
"4003565","13.534","0.004","15.352","0.004","7.4821","0.0015","90","","92.14","0.03","90","","1553.5","0.7","113","2","113","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","0.5","","Liu, Kun; Lei, Yilong; Fu, Hongbing","A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01184","","","0.71073","MoKα","","0.1363","0.0856","","","0.2115","0.2443","","","","","","1.057","","","","has coordinates","252542","2020-10-21","18:00:00",""
"4003566","7.1834","0.0014","7.7893","0.0016","7.9495","0.0016","73.81","0.03","83.7","0.03","88.39","0.03","424.58","0.16","113","2","113","2","","","","","","","","3","P 1","P 1","1","","","","- C23 H12 N4 -","- C23 H12 N4 -","- C23 H12 N4 -","1","1","","Liu, Kun; Lei, Yilong; Fu, Hongbing","A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01184","","","0.71073","MoKα","","0.0671","0.0435","","","0.0969","0.1045","","","","","","1.032","","","","has coordinates,has disorder","252543","2020-10-21","18:00:00",""
"4003567","24.936","0.005","7.2372","0.0014","9.2971","0.0019","90","","90","","90","","1677.8","0.6","113","2","113","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H11 N5 -","- C22 H11 N5 -","- C88 H44 N20 -","4","1","","Liu, Kun; Lei, Yilong; Fu, Hongbing","A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01184","","","0.71073","MoKα","","0.0837","0.0798","","","0.201","0.2045","","","","","","0.997","","","","has coordinates","252544","2020-10-21","18:00:00",""
"4003568","7.158","0.0014","7.8056","0.0016","7.9356","0.0016","72.93","0.03","85.74","0.03","88.93","0.03","422.68","0.16","113","2","113","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H10 N4 S -","- C22 H10 N4 S -","- C22 H10 N4 S -","1","1","","Liu, Kun; Lei, Yilong; Fu, Hongbing","A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01184","","","0.71073","MoKα","","0.0782","0.0702","","","0.2147","0.2212","","","","","","1.062","","","","has coordinates,has disorder","252545","2020-10-21","18:00:00",""
"4003569","7.2441","0.0014","8.425","0.0017","15.533","0.003","90","","93.74","0.03","90","","946","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H12 N4 -","- C26 H12 N4 -","- C52 H24 N8 -","2","0.5","","Liu, Kun; Lei, Yilong; Fu, Hongbing","A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01184","","","0.71073","MoKα","","0.0962","0.0656","","","0.1855","0.2091","","","","","","1.069","","","","has coordinates","252546","2020-10-21","18:00:00",""
"4003570","6.5695","0.0002","7.7923","0.0003","15.4694","0.0007","97.485","0.003","94.638","0.003","104.739","0.003","753.93","0.05","173","2","173","2","","","","","","","","3","P -1","-P 1","2","S-DNTT-8","","","- C38 H46 S2 -","- C38 H44 S2 -","- C38 H44 S2 -","1","0.5","","Yamaguchi, Yuji; Kojiguchi, Yuka; Kawata, So; Mori, Tatsuya; Okamoto, Kazuo; Tsutsui, Masanori; Koganezawa, Tomoyuki; Katagiri, Hiroshi; Yasuda, Takuma","Solution-Processable Organic Semiconductors Featuring S-Shaped Dinaphthothienothiophene (S-DNTT): Effects of Alkyl Chain Length on Self-Organization and Carrier Transport Properties","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01740","","","0.71073","MoKα","","0.0428","0.0351","","","0.0973","0.1017","","","","","","1.044","","","","has coordinates","253010","2020-10-21","18:00:00",""
"4003571","4.8135","0.0002","7.9484","0.0003","14.8781","0.0006","96.494","0.003","90.898","0.004","101.587","0.004","553.62","0.04","123","","123","","","","","","","","","3","P -1","-P 1","2","S-DNTT-4","","","- C15 H14 S -","- C15 H14 S -","- C30 H28 S2 -","2","1","","Yamaguchi, Yuji; Kojiguchi, Yuka; Kawata, So; Mori, Tatsuya; Okamoto, Kazuo; Tsutsui, Masanori; Koganezawa, Tomoyuki; Katagiri, Hiroshi; Yasuda, Takuma","Solution-Processable Organic Semiconductors Featuring S-Shaped Dinaphthothienothiophene (S-DNTT): Effects of Alkyl Chain Length on Self-Organization and Carrier Transport Properties","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01740","","x-ray","0.71073","MoKα","","0.0377","0.0313","","","0.0805","0.0838","","","","","","1.038","","","","has coordinates","253011","2020-10-21","18:00:00",""
"4003572","7.2092","0.0004","8.5332","0.0008","11.1656","0.0014","82.946","0.009","77.081","0.008","80.005","0.006","656.8","0.11","123","2","123","2","","","","","","","","3","P -1","-P 1","2","S-DNTT-6","","","- C34 H36 S2 -","- C34 H36 S2 -","- C34 H36 S2 -","1","0.5","","Yamaguchi, Yuji; Kojiguchi, Yuka; Kawata, So; Mori, Tatsuya; Okamoto, Kazuo; Tsutsui, Masanori; Koganezawa, Tomoyuki; Katagiri, Hiroshi; Yasuda, Takuma","Solution-Processable Organic Semiconductors Featuring S-Shaped Dinaphthothienothiophene (S-DNTT): Effects of Alkyl Chain Length on Self-Organization and Carrier Transport Properties","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01740","","","0.71073","MoKα","","0.0703","0.0613","","","0.1551","0.1613","","","","","","1.088","","","","has coordinates","253012","2020-10-21","18:00:00",""
"4003573","7.7947","0.0003","10.8375","0.0007","11.0524","0.0005","78.016","0.005","70.544","0.004","82.611","0.004","859.36","0.08","173","","173","","","","","","","","","3","P -1","-P 1","2","S-DNTT-10","","","- C42 H52 S2 -","- C42 H52 S2 -","- C42 H52 S2 -","1","0.5","","Yamaguchi, Yuji; Kojiguchi, Yuka; Kawata, So; Mori, Tatsuya; Okamoto, Kazuo; Tsutsui, Masanori; Koganezawa, Tomoyuki; Katagiri, Hiroshi; Yasuda, Takuma","Solution-Processable Organic Semiconductors Featuring S-Shaped Dinaphthothienothiophene (S-DNTT): Effects of Alkyl Chain Length on Self-Organization and Carrier Transport Properties","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01740","","","0.71073","MoKα","","0.0799","0.0561","","","0.1229","0.1351","","","","","","1.065","","","","has coordinates","253013","2020-10-21","18:00:00",""
"4003574","5.54535","0.00004","5.21029","0.00003","7.67491","0.00006","90","","94.6924","0.0006","90","","221.007","0.003","300","","300","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- Cu Nb O3 -","- Cu Nb O3 -","- Cu4 Nb4 O12 -","4","2","","Fukuda, Masayuki; Yamada, Ikuya; Murata, Hidenobu; Hojo, Hajime; Hernandez, Olivier J.; Ritter, Clemens; Tanaka, Katsuhisa; Fujita, Koji","Perovskite-Type CuNbO3 Exhibiting Unusual Noncollinear Ferrielectric to Collinear Ferroelectric Dipole Order Transition","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00444","powder diffraction","","1.594","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.6644","1.27185","","","","","","","has coordinates","253014","2020-10-21","18:00:00",""
"4003575","10.5141","0.0001","10.5141","0.0001","10.5141","0.0001","90","","90","","90","","1162.3","0.019","200","0.1","200","0.1","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Cl6 Cs2 In Na -","- Cl6 Cs2 In Na -","- Cl24 Cs8 In4 Na4 -","4","0.0208333","","Noculak, Agnieszka; Morad, Viktoriia; McCall, Kyle M.; Yakunin, Sergii; Shynkarenko, Yevhen; Wörle, Michael; Kovalenko, Maksym V.","Bright Blue and Green Luminescence of Sb(III) in Double Perovskite Cs<sub>2</sub>MInCl<sub>6</sub> (M = Na, K) Matrices.","Chemistry of materials : a publication of the American Chemical Society","2020","32","12","5118","5124","10.1021/acs.chemmater.0c01004","","x-ray","0.71073","MoKα","","0.0224","0.0224","","","0.0442","0.0442","","","","","","1.285","","","","has coordinates","253723","2020-10-21","18:00:00",""
"4003576","20.1068","0.0004","15.3349","0.0003","8.93802","0.00016","90","","90","","90","","2755.91","0.09","171","","171","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H16 N2 O S2 -","- C13 H16 N2 O S2 -","- C104 H128 N16 O8 S16 -","8","1","","Zheng, Yu; Ashizawa, Minoru; Zhang, Song; Kang, Jiheong; Nikzad, Shayla; Yu, Zhiao; Ochiai, Yuto; Wu, Hung-Chin; Tran, Helen; Mun, Jaewan; Zheng, Yu-Qing; Tok, Jeffrey B.-H.; Gu, Xiaodan; Bao, Zhenan","Tuning the Mechanical Properties of a Polymer Semiconductor by Modulating Hydrogen Bonding Interactions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01437","","","1.54187","CuKα","","0.0883","0.0798","","","0.2435","0.2585","","","","","","1.104","","","","has coordinates,has disorder","253177","2020-10-21","18:00:00",""
"4003577","10.3","0.02","10.29","0.02","13.73","0.03","90","","101.16","0.02","90","","1428","5","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Fe0.13 Ga0.87 Na S2 -","- Fe0.135 Ga0.865 Na S2 -","- Fe2.16 Ga13.84 Na16 S32 -","16","2","","Adhikary, Amit; Yaghoobnejad Asl, Hooman; Sandineni, Prashanth; Balijapelly, Srikanth; Mohapatra, Sudip; Khatua, Sajal; Konar, Sanjit; Gerasimchuk, Nikolay; Chernatynskiy, Aleksandr V.; Choudhury, Amitava","Unusual Atmospheric Water Trapping and Water Induced Reversible Restacking of 2D Gallium Sulfide Layers in NaGaS2 Formed by Supertetrahedral Building Unit","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00836","","","0.71073","MoKα","","0.0659","0.0541","","","0.1323","0.1382","","","","","","1.174","","","","has coordinates","253178","2020-10-21","18:00:00",""
"4003578","10.226","0.003","10.227","0.003","13.506","0.005","90","","100.926","0.004","90","","1386.9","0.8","240","2","240","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ga Na S2 -","- Ga Na S2 -","- Ga16 Na16 S32 -","16","2","","Adhikary, Amit; Yaghoobnejad Asl, Hooman; Sandineni, Prashanth; Balijapelly, Srikanth; Mohapatra, Sudip; Khatua, Sajal; Konar, Sanjit; Gerasimchuk, Nikolay; Chernatynskiy, Aleksandr V.; Choudhury, Amitava","Unusual Atmospheric Water Trapping and Water Induced Reversible Restacking of 2D Gallium Sulfide Layers in NaGaS2 Formed by Supertetrahedral Building Unit","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00836","","","0.71073","MoKα","","0.0456","0.0379","","","0.0993","0.1049","","","","","","1.13","","","","has coordinates","253179","2020-10-21","18:00:00",""
"4003579","9.9588","0.0003","9.777","0.0003","14.1456","0.0004","90","","90","","90","","1377.32","0.07","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","catena-(bis(m2-1,2,4-triazolato)-zinc)","","","- C4 H4 N6 Zn -","- C4 H4 N6 Zn -","- C32 H32 N48 Zn8 -","8","1","","Darby, James P.; Arhangelskis, Mihails; Katsenis, Athanassios D.; Marrett, Joseph M.; Friščić, Tomislav; Morris, Andrew J.","Ab Initio Prediction of Metal-Organic Framework Structures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01737","powder diffraction","","1.5418","CuKα","","","","","","","","","0.032","2.807","","","","","","","has coordinates","288246","2023-12-12","10:54:34",""
"4003580","5.33793","0.00003","5.48741","0.00003","7.75779","0.00005","90","","90.2455","0.0004","90","","227.235","0.002","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Dy Na Ni O6 W -","- Dy Na Ni O6 W -","- Dy2 Na2 Ni2 O12 W2 -","2","1","","Shankar P N, Ravi; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halasyamani, P. Shiv; Sundaresan, Athinarayanan","A-Site and B-Site Cation Ordering Induces Polar and Multiferroic Behavior in the Perovskite NaLnNiWO6 (Ln = Y, Dy, Ho, and Yb)","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01149","powder diffraction","","1.5406","'CuKα'","","","","","","","","","3.2164","6.7903","","","","","","","has coordinates","253213","2020-10-21","18:00:00",""
"4003581","5.32705","0.00003","5.49121","0.00004","7.7552","0.00005","90","","90.2233","0.0004","90","","226.853","0.003","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Ho Na Ni O6 W -","- Ho Na Ni O6 W -","- Ho2 Na2 Ni2 O12 W2 -","2","1","","Shankar P N, Ravi; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halasyamani, P. Shiv; Sundaresan, Athinarayanan","A-Site and B-Site Cation Ordering Induces Polar and Multiferroic Behavior in the Perovskite NaLnNiWO6 (Ln = Y, Dy, Ho, and Yb)","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01149","powder diffraction","","1.5406","CuKα","","","","","","","","","3.1562","7.2671","","","","","","","has coordinates","253214","2020-10-21","18:00:00",""
"4003582","5.322633","0.000019","5.48943","0.00002","7.74998","0.00002","90","","90.2387","0.0002","90","","226.439","0.0013","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Na Ni O6 W Y -","- Na Ni O6 W Y -","- Na2 Ni2 O12 W2 Y2 -","2","1","","Shankar P N, Ravi; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halasyamani, P. Shiv; Sundaresan, Athinarayanan","A-Site and B-Site Cation Ordering Induces Polar and Multiferroic Behavior in the Perovskite NaLnNiWO6 (Ln = Y, Dy, Ho, and Yb)","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01149","powder diffraction","","1.5406","'CuKα'","","","","","","","","","4.8782","4.2211","","","","","","","has coordinates","253215","2020-10-21","18:00:00",""
"4003583","5.2834","0.00005","5.47922","0.00005","7.72843","0.00008","90","","90.2088","0.0007","90","","223.728","0.004","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Na Ni O6 W Yb -","- Na Ni O6 W Yb -","- Na2 Ni2 O12 W2 Yb2 -","2","1","","Shankar P N, Ravi; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halasyamani, P. Shiv; Sundaresan, Athinarayanan","A-Site and B-Site Cation Ordering Induces Polar and Multiferroic Behavior in the Perovskite NaLnNiWO6 (Ln = Y, Dy, Ho, and Yb)","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01149","powder diffraction","","1.5406","'CuKα'","","","","","","","","","3.5593","6.3319","","","","","","","has coordinates","253216","2020-10-21","18:00:00",""
"4003584","3.92456","0.00004","15.06245","0.00016","5.63484","0.00006","90","","90","","90","","333.095","0.006","1173","","1173","","","","","","","","","3","C m c m","-C 2c 2","63","","Bismuth Tantalate","","- Bi O4 Ta -","- Bi O4 Ta -","- Bi4 O16 Ta4 -","4","0.25","","Zhuk, Nadezhda A.; Krzhizhanovskaya, Maria G.; Belyy, Vladimir A.; Kharton, Vladislav V.; Chichineva, Alena I.","Phase Transformations and Thermal Expansion of α- and β-BiTaO4 and the High-Temperature Modification γ-BiTaO4","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00010","powder diffraction","","1.79021","CoKα","","","","","","","","","3.65","2.33","","","","","","","has coordinates","253253","2020-10-21","18:00:00",""
"4003585","16.5155","0.0008","8.6521","0.0005","8.7642","0.0004","90","","99.0461","0.0019","90","","1236.77","0.11","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 I4 N2 Pb -","- C14 H32 I4 N2 Pb -","- C28 H64 I8 N4 Pb2 -","2","0.5","","Li, Zhi; Najeeb, Mansoor Ani; Alves, Liana; Sherman, Alyssa Z.; Shekar, Venkateswaran; Cruz Parrilla, Peter; Pendleton, Ian M.; Wang, Wesley; Nega, Philip W.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M.","Robot-Accelerated Perovskite Investigation and Discovery","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01153","","","0.71073","MoKα","","0.035","0.035","","0.0935","0.0935","0.0935","","","","","","0.9978","","","","has coordinates","253254","2020-10-21","18:00:00",""
"4003586","15.2648","0.0006","15.2648","0.0006","8.1332","0.0003","90","","90","","120","","1641.25","0.11","150","2","150","2","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- C6 H21 I9 N6 Pb3 -","- C6 H21 I9 N6 Pb3 -","- C12 H42 I18 N12 Pb6 -","2","0.333333","","Li, Zhi; Najeeb, Mansoor Ani; Alves, Liana; Sherman, Alyssa Z.; Shekar, Venkateswaran; Cruz Parrilla, Peter; Pendleton, Ian M.; Wang, Wesley; Nega, Philip W.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M.","Robot-Accelerated Perovskite Investigation and Discovery","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01153","","","0.71073","MoKα","","0.0483","0.0365","","","0.0654","0.0696","","","","","","1.075","","","","has coordinates","253255","2020-10-21","18:00:00",""
"4003587","7.024","0.002","7.064","0.002","13.1","0.004","84.259","0.004","84.715","0.003","63.544","0.003","578.2","0.3","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- I4 O12 Sr2 -","- I4 O12 Sr2 -","- I8 O24 Sr4 -","2","1","","Gai, Minqiang; Tong, Tinghao; Wang, Ying; Yang, Zhihua; Pan, Shilie","New Alkaline-Earth Metal Fluoroiodates Exhibiting Large Birefringence and Short Ultraviolet Cutoff Edge with Highly Polarizable (IO3F)2‒ Units","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01452","","","0.71073","MoKα","","0.0359","0.0328","","","0.0902","0.0931","","","","","","1.048","","","","has coordinates","253373","2020-10-21","18:00:00",""
"4003588","10.747","0.004","7.161","0.003","9.086","0.003","90","","93.748","0.004","90","","697.8","0.5","296","2","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ba(IO2F2)2","","- Ba F4 I2 O4 -","- Ba F4 I2 O4 -","- Ba4 F16 I8 O16 -","4","1","","Gai, Minqiang; Tong, Tinghao; Wang, Ying; Yang, Zhihua; Pan, Shilie","New Alkaline-Earth Metal Fluoroiodates Exhibiting Large Birefringence and Short Ultraviolet Cutoff Edge with Highly Polarizable (IO3F)2‒ Units","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01452","","","0.71073","MoKα","","0.0335","0.028","","","0.059","0.0611","","","","","","1.085","","","","has coordinates","253374","2020-10-21","18:00:00",""
"4003589","10.462","0.003","7.2724","0.0019","8.306","0.002","90","","109.699","0.003","90","","595","0.3","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","SrI2O5F2","","- F2 I2 O5 Sr -","- F2 I2 O5 Sr -","- F8 I8 O20 Sr4 -","4","1","","Gai, Minqiang; Tong, Tinghao; Wang, Ying; Yang, Zhihua; Pan, Shilie","New Alkaline-Earth Metal Fluoroiodates Exhibiting Large Birefringence and Short Ultraviolet Cutoff Edge with Highly Polarizable (IO3F)2‒ Units","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01452","","","0.71073","MoKα","","0.035","0.0266","","","0.0534","0.0566","","","","","","1.025","","","","has coordinates","253375","2020-10-21","18:00:00",""
"4003590","6.8439","0.0008","31.466","0.004","7.0224","0.0008","90","","109.878","0.002","90","","1422.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H18 F8 O4 -","- C38 H18 F8 O4 -","- C76 H36 F16 O8 -","2","0.5","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.0453","0.0384","","","0.086","0.0896","","","","","","1.085","","","","has coordinates","253401","2020-10-21","18:00:00",""
"4003591","13.198","0.0013","9.1099","0.0009","15.1637","0.0014","90","","107.904","0.002","90","","1734.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 F8 N2 O4 -","- C42 H28 F8 N2 O4 -","- C84 H56 F16 N4 O8 -","2","0.5","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.0891","0.0708","","","0.1949","0.218","","","","","","1.053","","","","has coordinates","253402","2020-10-21","18:00:00",""
"4003592","40.925","0.004","40.925","0.004","4.6169","0.0006","90","","90","","120","","6696.7","1.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C38 H18 F8 O4 -","- C38 H18 F8 O4 -","- C342 H162 F72 O36 -","9","0.5","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.0574","0.0467","","","0.1553","0.164","","","","","","1.123","","","","has coordinates","253403","2020-10-21","18:00:00",""
"4003593","4.4959","0.0003","13.0881","0.0009","15.9017","0.0011","66.725","0.001","82.591","0.002","82.531","0.001","849.16","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 F8 N2 O4 -","- C42 H28 F8 N2 O4 -","- C42 H28 F8 N2 O4 -","1","0.5","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.0614","0.0438","","","0.1129","0.1234","","","","","","1.034","","","","has coordinates","253404","2020-10-21","18:00:00",""
"4003594","7.5445","0.001","16.744","0.002","16.82","0.002","60.589","0.002","77.321","0.003","81.33","0.002","1803.5","0.4","278","2","278","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 F8 N2 O4 -","- C42 H28 F8 N2 O4 -","- C84 H56 F16 N4 O8 -","2","1","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.0842","0.0716","","","0.2041","0.2265","","","","","","1.019","","","","has coordinates,has disorder","253405","2020-10-21","18:00:00",""
"4003595","6.885","0.0007","7.0203","0.0007","17.463","0.0018","90.762","0.002","90.77","0.002","109.465","0.002","795.61","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H20 F8 O6 -","- C40 H22 F8 O6 -","- C40 H22 F8 O6 -","1","0.5","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.1577","0.1257","","","0.3429","0.3659","","","","","","1.096","","","","has coordinates","253406","2020-10-21","18:00:00",""
"4003596","7.6603","0.0004","9.2589","0.0005","11.7819","0.0007","94.291","0.001","100.484","0.001","94.65","0.001","815.56","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H22 F8 O6 -","- C40 H22 F8 O6 -","- C40 H22 F8 O6 -","1","0.5","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.0498","0.0415","","","0.1122","0.1192","","","","","","1.027","","","","has coordinates","253407","2020-10-21","18:00:00",""
"4003597","7.6598","0.0007","9.193","0.0009","12.4157","0.0012","89.665","0.002","81.654","0.002","84.678","0.002","861.26","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 F8 N2 O4 -","- C42 H28 F8 N2 O4 -","- C42 H28 F8 N2 O4 -","1","0.5","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.0418","0.0358","","","0.0937","0.0986","","","","","","1.042","","","","has coordinates","253408","2020-10-21","18:00:00",""
"4003598","48.0806","0.001","4.7831","0.0001","28.6935","0.0006","90","","101.471","0.001","90","","6467","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H22 F8 O6 -","- C40 H22 F8 O6 -","- C320 H176 F64 O48 -","8","1","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","1.54184","CuKα","","0.0431","0.0353","","","0.0908","0.0981","","","","","","1.038","","","","has coordinates","253409","2020-10-21","18:00:00",""
"4003599","7.7154","0.0007","9.1759","0.0008","11.2358","0.001","101.159","0.002","96.904","0.002","95.288","0.002","769.29","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H18 F8 O4 -","- C38 H18 F8 O4 -","- C38 H18 F8 O4 -","1","0.5","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.0572","0.0459","","","0.1287","0.1377","","","","","","1.071","","","","has coordinates","253410","2020-10-21","18:00:00",""
"4003600","36.587","0.004","36.587","0.004","36.587","0.004","90","","90","","90","","48976","9","200","2","200","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C120 H120 Cl4 O40 Zr12 -","- C120 H120 Cl4.0002 O40 Zr12 -","- C960 H960 Cl32.0016 O320 Zr96 -","8","0.0416667","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.0742","0.058","","","0.1641","0.1857","","","","","","1.15","","","","has coordinates,has disorder","253518","2020-10-21","18:00:00",""
"4003601","37.16","0.005","22.815","0.004","10.7854","0.0009","90","","93.092","0.012","90","","9131","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H96 Cl2 N6 O26 Zr6 -","- C84 H96 Cl2 N6 O26 Zr6 -","- C336 H384 Cl8 N24 O104 Zr24 -","4","0.5","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.0417","0.0399","","","0.1068","0.1089","","","","","","1.049","","","","has coordinates,has disorder","253519","2020-10-21","18:00:00",""
"4003602","22.921","0.003","16.858","0.002","31.905","0.004","90","","102.424","0.005","90","","12039","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C108 H112 Cl2 N4 O24 Zr6 -","- C108 H112 Cl2 N4 O24 Zr6 -","- C432 H448 Cl8 N16 O96 Zr24 -","4","0.5","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.0995","0.0532","","","0.1234","0.1481","","","","","","1.011","","","","has coordinates,has disorder","253520","2020-10-21","18:00:00",""
"4003603","10.6473","0.0003","19.677","0.0005","48.7602","0.0012","90","","94.934","0.001","90","","10177.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H86 Cl2 N2 O22 Zr6 -","- C96 H86 Cl2 N2 O22 Zr6 -","- C384 H344 Cl8 N8 O88 Zr24 -","4","1","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.1419","0.1204","","","0.2506","0.2615","","","","","","1.11","","","","has coordinates,has disorder","253521","2020-10-21","18:00:00",""
"4003604","39.7702","0.0012","22.4499","0.0007","10.8784","0.0003","90","","90.483","0.002","90","","9712.3","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H68 Cl2 N2 O22 S3 Zr6 -","- C66 H68 Cl2 N2 O22 S3 Zr6 -","- C264 H272 Cl8 N8 O88 S12 Zr24 -","4","0.5","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.0637","0.0545","","","0.1418","0.1507","","","","","","1.007","","","","has coordinates,has disorder","253522","2020-10-21","18:00:00",""
"4003605","12.8761","0.0004","16.5123","0.0005","18.537","0.0006","102.277","0.002","104.442","0.002","97.331","0.002","3660.8","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H52 F6 O27 S2 Zr6 -","- C57 H52 F6 O27 S2 Zr6 -","- C114 H104 F12 O54 S4 Zr12 -","2","1","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.0813","0.0584","","","0.1395","0.1627","","","","","","1.102","","","","has coordinates","253523","2020-10-21","18:00:00",""
"4003606","36.739","0.002","36.739","0.002","73.888","0.005","90","","90","","90","","99731","10","150","2","150","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C132 H108 Cl6 O40 Zr12 -","- C132 H108 Cl6 O40 Zr12 -","- C2112 H1728 Cl96 O640 Zr192 -","16","0.5","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.1265","0.1039","","","0.284","0.3133","","","","","","1.024","","","","has coordinates,has disorder","253524","2020-10-21","18:00:00",""
"4003607","18.8649","0.0006","28.885","0.0008","23.944","0.0008","90","","105.667","0.002","90","","12562.6","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H92 F6 O28 S2 Zr6 -","- C100 H92 F6 O28 S2 Zr6 -","- C400 H368 F24 O112 S8 Zr24 -","4","1","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.0754","0.0577","","","0.1565","0.1768","","","","","","1.052","","","","has coordinates","253525","2020-10-21","18:00:00",""
"4003608","35.291","0.003","17.2056","0.0014","35.416","0.002","90","","117.236","0.004","90","","19120","3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C124 H120 F12 O52 S4 Zr12 -","- C124 H120 F12 O52 S4 Zr12 -","- C496 H480 F48 O208 S16 Zr48 -","4","1","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.1079","0.0898","","","0.2168","0.2295","","","","","","0.977","","","","has coordinates,has disorder","253526","2020-10-21","18:00:00",""
"4003609","16.4279","0.0009","16.4279","0.0009","21.9721","0.0019","90","","90","","120","","5135.3","0.6","150","2","150","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C66 H57 Cl2 F3 O20 Zr6 -","- C66 H57 Cl2.0001 F3 O20 Zr6 -","- C132 H114 Cl4.0002 F6 O40 Zr12 -","2","0.166667","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.0898","0.0885","","","0.2477","0.2514","","","","","","1.277","","","","has coordinates,has disorder","253527","2020-10-21","18:00:00",""
"4003610","28.0148","0.0007","28.0148","0.0007","39.6287","0.001","90","","90","","90","","31101.8","1.4","150","2","150","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C132 H108 Cl4 O40 Zr12 -","- C131 H108 Cl4 O40 Zr12 -","- C524 H432 Cl16 O160 Zr48 -","4","0.125","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.1463","0.1212","","","0.3957","0.4501","","","","","","2.061","","","","has coordinates,has disorder","253528","2020-10-21","18:00:00",""
"4003611","15.0641","0.0004","23.6781","0.0006","21.9714","0.0005","90","","96.323","0.001","90","","7789.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Cl2 O20 Zr6 -","- C42 H42 Cl2 O20 Zr6 -","- C168 H168 Cl8 O80 Zr24 -","4","1","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.1756","0.157","","","0.4714","0.5024","","","","","","2.359","","","","has coordinates,has disorder","253529","2020-10-21","18:00:00",""
"4003612","48.54","0.003","48.54","0.003","48.54","0.003","90","","90","","90","","114367","12","150","2","150","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C192 H168 Cl4 O40 Zr12 -","- C192 H168 Cl4.0002 O40 Zr12 -","- C1536 H1344 Cl32.0016 O320 Zr96 -","8","0.0416667","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.1832","0.1283","","","0.3596","0.422","","","","","","1.449","","","","has coordinates,has disorder","253530","2020-10-21","18:00:00",""
"4003613","11.9388","0.0005","4.1112","0.0002","12.5095","0.0005","90","","90","","90","","614","0.05","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cl3 Cu K2 -","- Cl3 Cu K2 -","- Cl12 Cu4 K8 -","4","0.5","","Creason, Tielyr D.; McWhorter, Timothy M.; Bell, Zane; Du, Mao-Hua; Saparov, Bayrammurad","K2CuX3 (X = Cl, Br): All-Inorganic Lead-Free Blue Emitters with Near-Unity Photoluminescence Quantum Yield","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02098","","","0.71073","MoKα","","0.0264","0.0215","","","0.047","0.0498","","","","","","1.006","","","","has coordinates","254121","2020-10-21","18:00:00",""
"4003614","12.5112","0.001","4.2939","0.0003","13.1645","0.001","90","","90","","90","","707.22","0.09","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Br3 Cu K2 -","- Br3 Cu K2 -","- Br12 Cu4 K8 -","4","0.5","","Creason, Tielyr D.; McWhorter, Timothy M.; Bell, Zane; Du, Mao-Hua; Saparov, Bayrammurad","K2CuX3 (X = Cl, Br): All-Inorganic Lead-Free Blue Emitters with Near-Unity Photoluminescence Quantum Yield","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02098","","","0.71073","MoKα","","0.0464","0.0316","","","0.0658","0.0731","","","","","","1.009","","","","has coordinates","254122","2020-10-21","18:00:00",""
"4003615","11.694","0.0002","10.3459","0.0002","20.8452","0.0004","90","","90.626","0.002","90","","2521.81","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H41 Cl Cu N -","- C28 H41 Cl Cu N -","- C112 H164 Cl4 Cu4 N4 -","4","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","x-ray","0.71073","MoKα","","0.0622","0.0457","","","0.1116","0.1191","","","","","","1.022","","","","has coordinates","254123","2020-10-21","18:00:00",""
"4003616","18.4735","0.0004","10.151","0.0002","19.3448","0.0004","90","","90","","90","","3627.62","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H51 Cl2 Cu N2 -","- C41 H51 Cl2 Cu N2 -","- C164 H204 Cl8 Cu4 N8 -","4","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","x-ray","0.71073","MoKα","","0.073","0.0541","","","0.129","0.1368","","","","","","1.031","","","","has coordinates,has disorder","254123","2020-10-21","18:00:00",""
"4003617","10.0759","0.0002","11.7337","0.0002","21.2836","0.0003","90","","90.14","0.001","90","","2516.3","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 Ag Cl N -","- C28 H41 Ag Cl N -","- C112 H164 Ag4 Cl4 N4 -","4","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","x-ray","0.71073","MoKα","","0.0304","0.0269","","","0.0679","0.0694","","","","","","1.054","","","","has coordinates","254123","2020-10-21","18:00:00",""
"4003618","10.5956","0.0006","16.5409","0.0006","12.0346","0.0011","90","","110.128","0.008","90","","1980.4","0.2","140","0.5","140","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H53 Au Cl4 N2 -","- C42 H53 Au Cl4 N2 -","- C84 H106 Au2 Cl8 N4 -","2","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","","0.71073","MoKα","","0.036","0.0315","","","0.0684","0.0709","","","","","","1.02","","","","has coordinates,has disorder","254123","2020-10-21","18:00:00",""
"4003619","9.9277","0.0007","10.1798","0.0005","23.3955","0.0014","90","","96.004","0.006","90","","2351.4","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 Cl Cu N -","- C24 H37 Cl Cu N -","- C96 H148 Cl4 Cu4 N4 -","4","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","x-ray","0.71073","MoKα","","0.0635","0.0517","","","0.1199","0.1256","","","","","","1.035","","","","has coordinates,has disorder","254123","2020-10-21","18:00:00",""
"4003620","31.1356","0.0013","13.3923","0.0005","16.9072","0.0007","90","","102.687","0.004","90","","6877.8","0.5","140","2","140","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H45 Cu N2 -","- C36 H45 Cu N2 -","- C288 H360 Cu8 N16 -","8","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","","0.71073","MoKα","","0.0543","0.0387","","","0.0989","0.1063","","","","","","1.045","","","","has coordinates","254123","2020-10-21","18:00:00",""
"4003621","30.8829","0.0005","13.4632","0.0002","17.0861","0.0003","90","","103.783","0.002","90","","6899.5","0.2","99.99","0.1","99.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H45 Ag N2 -","- C36 H45 Ag N2 -","- C288 H360 Ag8 N16 -","8","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","x-ray","0.71073","MoKα","","0.0376","0.0362","","","0.0839","0.0845","","","","","","1.184","","","","has coordinates","254123","2020-10-21","18:00:00",""
"4003622","31.0559","0.0006","13.3859","0.0002","16.9937","0.0003","90","","103.148","0.002","90","","6879.3","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H45 Au N2 -","- C36 H45 Au N2 -","- C288 H360 Au8 N16 -","8","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","x-ray","0.71073","MoKα","","0.0347","0.0262","","","0.0622","0.0644","","","","","","1.054","","","","has coordinates","254123","2020-10-21","18:00:00",""
"4003623","13.9195","0.0004","22.9952","0.0007","15.6794","0.0005","90","","111.624","0.002","90","","4665.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C111 H116 Cl6 N2 O6 -","- C111 H116 Cl6 N2 O6 -","- C222 H232 Cl12 N4 O12 -","2","0.5","","Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank","1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02115","","","1.54178","CuKα","","0.115","0.0831","","","0.2222","0.2442","","","","","","1.043","","","","has coordinates,has disorder","254236","2020-10-21","18:00:00",""
"4003624","19.1734","0.0007","11.1174","0.0004","19.4307","0.0008","90","","104.399","0.001","90","","4011.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H86 Cl4 N2 O6 -","- C104 H86 Cl4 N2 O6 -","- C208 H172 Cl8 N4 O12 -","2","0.5","","Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank","1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02115","","","0.71073","MoKα","","0.0771","0.0554","","","0.1398","0.1538","","","","","","1.021","","","","has coordinates,has disorder","254237","2020-10-21","18:00:00",""
"4003625","14.8795","0.0004","15.7293","0.0004","15.7945","0.0004","71.769","0.001","62.062","0.001","87.071","0.001","3081.71","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C132 H158 N2 O6 -","- C132 H158 N2 O6 -","- C132 H158 N2 O6 -","1","0.5","","Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank","1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02115","","","1.54178","CuKα","","0.0804","0.0734","","","0.1925","0.1985","","","","","","1.034","","","","has coordinates,has disorder","254238","2020-10-21","18:00:00",""
"4003626","9.8063","0.0003","12.4776","0.0005","16.8828","0.0006","73.943","0.002","84.236","0.002","70.453","0.002","1870.69","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H46 N2 O5 -","- C48 H46 N2 O5 -","- C96 H92 N4 O10 -","2","1","","Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank","1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02115","","","1.54178","CuKα","","0.0771","0.0584","","","0.1581","0.1752","","","","","","1.019","","","","has coordinates","254239","2020-10-21","18:00:00",""
"4003627","12.0932","0.0007","14.5751","0.0009","17.0408","0.001","72.281","0.003","70.244","0.003","87.08","0.003","2688.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H58 Cl2 N2 O5 -","- C70 H58 Cl2 N2 O5 -","- C140 H116 Cl4 N4 O10 -","2","1","","Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank","1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02115","","","1.54178","CuKα","","0.052","0.0452","","","0.1203","0.1259","","","","","","1.027","","","","has coordinates","254240","2020-10-21","18:00:00",""
"4003628","12.1149","0.0011","14.7691","0.0014","16.9963","0.0016","70.135","0.003","69.703","0.004","86.331","0.003","2677.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H56 N2 O5 -","- C69 H56 N2 O5 -","- C138 H112 N4 O10 -","2","1","","Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank","1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02115","","","1.54178","CuKα","","0.0575","0.047","","","0.123","0.1338","","","","","","1.033","","","","has coordinates,has disorder","254241","2020-10-21","18:00:00",""
"4003629","6.8852","0.0005","7.26","0.0005","14.7694","0.0009","90","","97.2854","0.0019","90","","732.31","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Bi3 F O14 Se5 -","- Bi3 F O14 Se5 -","- Bi6 F2 O28 Se10 -","2","1","","Chung, Jee Yoon; Jo, Hongil; Yeon, Seongbeom; Byun, Hye Ryung; You, Tae-Soo; Jang, Joon I.; Ok, Kang Min","Bi3(SeO3)3(Se2O5)F: A Polar Bismuth Selenite Fluoride with Polyhedra of Highly Distortive Lone Pair Cations and Strong Second-Harmonic Generation Response","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02167","","","0.71073","MoKα","","0.0344","0.034","","","0.0873","0.0876","","","","","","1.089","","","","has coordinates","254316","2020-10-21","18:00:00",""
"4003630","29.824","0.007","12.296","0.002","22.185","0.004","90","","111.789","0.002","90","","7554","3","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Br2 O8 -","- C40 H50 Br2 O8 -","- C320 H400 Br16 O64 -","8","2","","Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing","Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity","Chemistry of Materials","2020","32","14","5927","5936","10.1021/acs.chemmater.9b05099","","","0.6525","","","0.0999","0.0907","","","0.2364","0.2426","","","","","","1.107","","","","has coordinates,has disorder","257103","2020-10-21","18:00:00",""
"4003631","18.775","0.003","12.5243","0.0019","16.115","0.003","90","","92.208","0.006","90","","3786.5","1.1","173","2","172.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Br2 O8 -","- C40 H50 Br2 O8 -","- C160 H200 Br8 O32 -","4","1","","Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing","Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity","Chemistry of Materials","2020","32","14","5927","5936","10.1021/acs.chemmater.9b05099","","","0.71073","MoKα","","0.1542","0.0622","","","0.1428","0.1918","","","","","","0.953","","","","has coordinates","257103","2020-10-21","18:00:00",""
"4003632","15.3015","0.0005","22.8272","0.0006","18.6041","0.0005","90","","110.21","0.001","90","","6098.2","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C72 H78 O8 -","- C72 H78 O8 -","- C288 H312 O32 -","4","1","","Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing","Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity","Chemistry of Materials","2020","32","14","5927","5936","10.1021/acs.chemmater.9b05099","","","0.71073","MoKα","","0.1274","0.0757","","","0.1864","0.2308","","","","","","1.014","","","","has coordinates,has disorder","257103","2020-10-21","18:00:00",""
"4003633","18.2924","0.0007","23.5585","0.0008","59.258","0.002","90","","90","","90","","25536.7","1.6","170","2","170.02","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C72 H78 F6 O8 Sb -","- C72 H78 F6 O8 Sb -","- C1152 H1248 F96 O128 Sb16 -","16","0.5","","Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing","Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity","Chemistry of Materials","2020","32","14","5927","5936","10.1021/acs.chemmater.9b05099","","","1.34139","GaKα","","0.1524","0.0876","","","0.2448","0.2937","","","","","","1.024","","","","has coordinates","257103","2020-10-21","18:00:00",""
"4003634","14.4186","0.0006","26.1598","0.001","16.3989","0.0007","90","","107.052","0.003","90","","5913.5","0.4","173","2","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C72 H78 O8 -","- C72 H78 O8 -","- C288 H312 O32 -","4","1","","Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing","Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity","Chemistry of Materials","2020","32","14","5927","5936","10.1021/acs.chemmater.9b05099","","","1.34139","GaKα","","0.2423","0.0974","","","0.2286","0.3278","","","","","","0.98","","","","has coordinates","257103","2020-10-21","18:00:00",""
"4003635","7.1711","0.001","7.1711","0.001","11.7115","0.0017","90","","90","","120","","521.57","0.13","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- F6 Ga3 O6 Rb Se2 -","- F6 Ga3 O6 Rb Se2 -","- F12 Ga6 O12 Rb2 Se4 -","2","0.166667","","Wu, Chao; Jiang, Xingxing; Lin, Lin; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","AGa3F6(SeO3)2 (A = Rb, Cs): A New Type of Phase-Matchable Hexagonal Tungsten Oxide Material with Strong Second-Harmonic Generation Responses","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01971","","","0.71073","MoKα","","0.0374","0.0364","","","0.0951","0.0959","","","","","","1.096","","","","has coordinates","254353","2020-10-21","18:00:00",""
"4003636","7.1876","0.0005","7.1876","0.0005","11.8681","0.0009","90","","90","","120","","530.98","0.07","273","2","273","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- Cs F6 Ga3 O6 Se2 -","- Cs F6 Ga3 O6 Se2 -","- Cs2 F12 Ga6 O12 Se4 -","2","0.166667","","Wu, Chao; Jiang, Xingxing; Lin, Lin; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","AGa3F6(SeO3)2 (A = Rb, Cs): A New Type of Phase-Matchable Hexagonal Tungsten Oxide Material with Strong Second-Harmonic Generation Responses","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01971","","","0.71073","MoKα","","0.0429","0.0406","","","0.1317","0.1337","","","","","","1.093","","","","has coordinates","254354","2020-10-21","18:00:00",""
"4003637","6.061","0.002","6.982","0.003","7.872","0.004","102.22","0.03","112.619","0.019","104.02","0.017","280.5","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- Al3 Be N5 Sr2 -","- Al3 Be N5 Sr2 -","- Al6 Be2 N10 Sr4 -","2","1","","Elzer, Eugenia; Strobel, Philipp; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang","Illuminating Nitridoberylloaluminates: The Highly Efficient Red-Emitting Phosphor Sr2[BeAl3N5]:Eu2+","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02037","","","0.71073","MoKα","","0.072","0.0366","","","0.057","0.0644","","","","","","1.004","","","","has coordinates","254483","2020-10-21","18:00:00",""
"4003638","7.4132","0.0008","7.5123","0.0007","10.9503","0.0015","90","","105.547","0.012","90","","587.51","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Ba2 H I3 Mo O13 -","- Ba2 H I3 Mo O13 -","- Ba4 H2 I6 Mo2 O26 -","2","1","","Huang, Qian-Ming; Hu, Chun-Li; Yang, Bing-Ping; Tang, Ru-Ling; Chen, Jin; Fang, Zhi; Li, Bingxuan; Mao, Jiang-Gao","Ba2[MoO3(OH)(IO3)2]IO3: A Promising SHG Material Featuring a Λ-Shaped Functional Motif Achieved by Universal Mono-Site Substitution","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02657","","","0.71073","MoKα","","0.0621","0.059","","","0.1433","0.1479","","","","","","1.071","","","","has coordinates","254556","2020-10-21","18:00:00",""
"4003639","42.4115","0.0007","42.4115","0.0007","42.4115","0.0007","90","","90","","90","","76287","2","120","","120","","","","","","","","","3","P -4 3 m","P -4 2 3","215","","","","- C360 O91 Zn28 -","- C360 O91 Zn28 -","- C360 O91 Zn28 -","1","0.0416667","","Dong, Jinqiao; Shen, Pingchuan; Ying, Shaoming; Li, Zi-Jian; Yuan, Yi Di; Wang, Yuxiang; Zheng, Xiaoyan; Peh, Shing Bo; Yuan, Hongye; Liu, Guoliang; Cheng, Youdong; Pan, Yutong; Shi, Leilei; Zhang, Jian; Yuan, Daqiang; Liu, Bin; Zhao, Zujin; Tang, Ben Zhong; Zhao, Dan","Aggregation-Induced Emission-Responsive Metal‒Organic Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02277","","","1.54184","CuKα","","0.1031","0.0858","","","0.2157","0.2448","","","","","","1.068","","","","has coordinates","254601","2020-10-21","18:00:00",""
"4003640","7.8784","0.0005","13.2904","0.001","11.1831","0.0009","90","","93.449","0.006","90","","1168.83","0.15","120.01","0.1","120.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H12 B10 O2 S -","- C3 H12 B10 O2 S -","- C12 H48 B40 O8 S4 -","4","1","","Goronzy, Dominic P.; Staněk, Jan; Avery, Erin; Guo, Han; Bastl, Zdeněk; Dušek, Michal; Gallup, Nathan M.; Gün, Saliha; Kučeráková, Monika; Levandowski, Brian J.; Macháček, Jan; Šícha, Václav; Thomas, John C.; Yavuz, Adem; Houk, K. N.; Danışman, Mehmet Fatih; Mete, Ersen; Alexandrova, Anastassia N.; Baše, Tomáš; Weiss, Paul S.","Influence of Terminal Carboxyl Groups on the Structure and Reactivity of Functionalized m-Carboranethiolate Self-Assembled Monolayers","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02722","","x-ray","1.54184","CuKα","","0.0473","0.0362","","","0.0895","0.0966","","","","1.29","1.29","1.22","","","","has coordinates","254602","2020-10-21","18:00:00",""
"4003641","32.2102","0.0004","6.9016","0.0001","23.2398","0.0005","90","","119.708","0.0016","90","","4487.21","0.15","120","0.1","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H24 B20 O4 S2 -","- C6 H24 B20 O4 S2 -","- C48 H192 B160 O32 S16 -","8","1","","Goronzy, Dominic P.; Staněk, Jan; Avery, Erin; Guo, Han; Bastl, Zdeněk; Dušek, Michal; Gallup, Nathan M.; Gün, Saliha; Kučeráková, Monika; Levandowski, Brian J.; Macháček, Jan; Šícha, Václav; Thomas, John C.; Yavuz, Adem; Houk, K. N.; Danışman, Mehmet Fatih; Mete, Ersen; Alexandrova, Anastassia N.; Baše, Tomáš; Weiss, Paul S.","Influence of Terminal Carboxyl Groups on the Structure and Reactivity of Functionalized m-Carboranethiolate Self-Assembled Monolayers","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02722","","x-ray","1.54184","CuKα","","0.0404","0.0376","","","0.1149","0.1173","","","","2.34","2.34","2.29","","","","has coordinates","254603","2020-10-21","18:00:00",""
"4003642","7.9115","0.001","7.9115","0.001","23.385","0.003","90","","90","","90","","1463.7","0.3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C H6 Au Br3 N -","- C H6 Au Br3 N -","- C8 H48 Au8 Br24 N8 -","8","1","","Ghosh, Biplab; Febriansyah, Benny; Harikesh, Padinhare Cholakkal; Koh, Teck Ming; Hadke, Shreyash; Wong, Lydia H.; England, Jason; Mhaisalkar, Subodh G.; Mathews, Nripan","Direct Band Gap Mixed-Valence Organic‒inorganic Gold Perovskite as Visible Light Absorbers","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00345","","","0.71073","MoKα","","0.0526","0.0292","","","0.0509","0.0574","","","","","","1.028","","","","has coordinates","254654","2020-10-21","18:00:00",""
"4003643","8.3537","0.0004","8.3537","0.0004","24.6556","0.0014","90","","90","","90","","1720.57","0.15","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C H6 Au I3 N -","- C H6 Au I3 N -","- C8 H48 Au8 I24 N8 -","8","1","","Ghosh, Biplab; Febriansyah, Benny; Harikesh, Padinhare Cholakkal; Koh, Teck Ming; Hadke, Shreyash; Wong, Lydia H.; England, Jason; Mhaisalkar, Subodh G.; Mathews, Nripan","Direct Band Gap Mixed-Valence Organic‒inorganic Gold Perovskite as Visible Light Absorbers","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00345","","","0.71073","MoKα","","0.0277","0.0249","","","0.0507","0.052","","","","","","1.081","","","","has coordinates","254655","2020-10-21","18:00:00",""
"4003644","10.009","0.004","16.663","0.008","14.61","0.006","90","","106.65","0.03","90","","2334.5","1.8","100","2","100.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H16 Cl2.667 N12 Zn3.267 -","- C24 H16 Cl2.66667 N12 Zn3.26667 -","- C72 H48 Cl8 N36 Zn9.8 -","3","0.75","","Mian, Mohammad Rasel; Islamoglu, Timur; Afrin, Unjila; Goswami, Subhadip; Cao, Ran; Kirlikovali, Kent O.; Hall, Morgan G.; Peterson, Gregory W.; Farha, Omar K.","Catalytic Degradation of an Organophosphorus Agent at Zn‒OH Sites in a Metal‒Organic Framework","Chemistry of Materials","2020","32","16","6998","7004","10.1021/acs.chemmater.0c02373","","","1.54184","CuKα","","0.0973","0.084","","","0.232","0.2464","","","","","","1.0994","","","","has coordinates","257101","2020-10-21","18:00:00",""
"4003645","8.98497","0.0001","9.07444","0.00007","15.61097","0.00016","105.583","0.0008","90.9628","0.0009","118.507","0.001","1061.45","0.02","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0379","0.0376","","","0.0977","0.0979","","","","","","1.083","","","","has coordinates","255175","2020-10-21","18:00:00",""
"4003646","8.98254","0.00009","9.07534","0.00007","15.60122","0.00014","105.584","0.0007","90.9564","0.0007","118.517","0.0009","1060.52","0.02","280","2","280","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0375","0.0372","","","0.0977","0.098","","","","","","1.087","","","","has coordinates","255176","2020-10-21","18:00:00",""
"4003647","8.96306","0.00008","9.07862","0.00007","15.52776","0.00014","105.576","0.0007","90.8937","0.0007","118.56","0.0009","1053.43","0.019","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0338","0.0334","","","0.0884","0.0887","","","","","","1.095","","","","has coordinates","255177","2020-10-21","18:00:00",""
"4003648","8.97733","0.00008","9.07673","0.00007","15.5804","0.00014","105.581","0.0007","90.9377","0.0007","118.529","0.0008","1058.61","0.019","260","2","260","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0355","0.0352","","","0.0923","0.0925","","","","","","1.104","","","","has coordinates","255178","2020-10-21","18:00:00",""
"4003649","8.99093","0.00008","9.06819","0.00008","15.64192","0.00014","105.595","0.0008","91.0079","0.0007","118.5","0.0009","1063.35","0.02","310","2","310","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0428","0.0424","","","0.1089","0.1093","","","","","","1.067","","","","has coordinates","255179","2020-10-21","18:00:00",""
"4003650","8.99336","0.00008","9.06691","0.00008","15.65427","0.00014","105.6","0.0008","91.0186","0.0008","118.496","0.0009","1064.3","0.02","320","2","320","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0454","0.0449","","","0.1166","0.117","","","","","","1.045","","","","has coordinates","255180","2020-10-21","18:00:00",""
"4003651","8.97224","0.00008","9.07775","0.00007","15.56056","0.00014","105.578","0.0007","90.9202","0.0007","118.54","0.0009","1056.74","0.019","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.037","0.0367","","","0.0979","0.0982","","","","","","1.094","","","","has coordinates","255181","2020-10-21","18:00:00",""
"4003652","8.96756","0.00008","9.07834","0.00007","15.54301","0.00013","105.576","0.0007","90.907","0.0007","118.551","0.0008","1055.01","0.019","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0371","0.0367","","","0.0981","0.0984","","","","","","1.076","","","","has coordinates","255182","2020-10-21","18:00:00",""
"4003653","8.98838","0.00008","9.06949","0.00008","15.62933","0.00014","105.589","0.0008","90.9969","0.0007","118.504","0.0009","1062.39","0.02","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.042","0.0417","","","0.1078","0.1081","","","","","","1.07","","","","has coordinates","255183","2020-10-21","18:00:00",""
"4003654","9.00382","0.00015","9.06181","0.00012","15.705","0.0002","105.617","0.0012","91.0614","0.0013","118.482","0.0015","1068.26","0.03","360","2","360","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0458","0.0455","","","0.1153","0.1155","","","","","","1.029","","","","has coordinates","255184","2020-10-21","18:00:00",""
"4003655","8.99858","0.0001","9.06439","0.00009","15.67955","0.00016","105.607","0.0009","91.0437","0.0009","118.488","0.0011","1066.28","0.02","340","2","340","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0464","0.0461","","","0.1194","0.1197","","","","","","1.048","","","","has coordinates","255185","2020-10-21","18:00:00",""
"4003656","6.01751","0.00003","6.01751","0.00003","6.01751","0.00003","90","","90","","90","","217.897","0.0019","293","","293","","","","","","","","synthetic","3","F m -3 m","-F 4 2 3","225","","","","- Li2.33 P Sn0.17 -","- Li2.335 P Sn0.1664 -","- Li9.34 P4 Sn0.6656 -","4","0.0208333","","Strangmüller, Stefan; Eickhoff, Henrik; Raudaschl-Sieber, Gabriele; Kirchhain, Holger; Sedlmeier, Christian; van Wüllen, Leo; Gasteiger, Hubert A.; Fässler, Thomas F.","Modifying the Properties of Fast Lithium-Ion Conductors—The Lithium Phosphidotetrelates Li14SiP6, Li14GeP6, and Li14SnP6","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02052","powder diffraction","X-rays","1.54056","CuKα~1~","","","","","","","","","1.0675","","","","","","","","has coordinates","255215","2020-10-21","18:00:00",""
"4003657","5.95667","0.00003","5.95667","0.00003","5.95667","0.00003","90","","90","","90","","211.354","0.0018","293","","293","","","","","","","","synthetic","3","F m -3 m","-F 4 2 3","225","","","","- Ge0.17 Li2.33 P -","- Ge0.1658 Li2.334 P -","- Ge0.6632 Li9.336 P4 -","4","0.0208333","","Strangmüller, Stefan; Eickhoff, Henrik; Raudaschl-Sieber, Gabriele; Kirchhain, Holger; Sedlmeier, Christian; van Wüllen, Leo; Gasteiger, Hubert A.; Fässler, Thomas F.","Modifying the Properties of Fast Lithium-Ion Conductors—The Lithium Phosphidotetrelates Li14SiP6, Li14GeP6, and Li14SnP6","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02052","powder diffraction","X-rays","1.54056","CuKα~1~","","","","","","","","","1.5216","","","","","","","","has coordinates","255216","2020-10-21","18:00:00",""
"4003658","27.953","0.004","27.953","","9.9004","0.0019","90","","90","","120","","6699.5","1.6","298","","298","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- La41.44 Mo7.56 O85.12 -","- La41.4436 Mo7.55644 O85.1211 -","- La124.331 Mo22.6693 O255.363 -","3","0.0833333","","López-Vergara, Adrián; Vizcaíno-Anaya, Lucía; Porras-Vázquez, José M.; Baldinozzi, Gianguido; Santos-Gómez, Lucía dos; Canales-Vazquez, Jesús; Marrero-López, David; Losilla, Enrique R.","Unravelling Crystal Superstructures and Transformations in the La6‒xMoO12−δ (0.6 ≤ x ≤ 3.0) Series: A System with Tailored Ionic/Electronic Conductivity","Chemistry of Materials","2020","32","16","7052","7062","10.1021/acs.chemmater.0c02673","powder diffraction","neutron","1.1545","","","","","","","","","0.04363","","3.18","","","","","","","has coordinates","257102","2020-10-21","18:00:00",""
"4003659","20.4941","0.0022","20.4941","","9.5181","0.0011","90","","90","","120","","3462.1","0.5","298","","298","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- La21.17 Mo3.83 O44.88 -","- La21.1668 Mo3.8332 O44.8842 -","- La63.5004 Mo11.4996 O134.653 -","3","0.0833333","","López-Vergara, Adrián; Vizcaíno-Anaya, Lucía; Porras-Vázquez, José M.; Baldinozzi, Gianguido; Santos-Gómez, Lucía dos; Canales-Vazquez, Jesús; Marrero-López, David; Losilla, Enrique R.","Unravelling Crystal Superstructures and Transformations in the La6‒xMoO12−δ (0.6 ≤ x ≤ 3.0) Series: A System with Tailored Ionic/Electronic Conductivity","Chemistry of Materials","2020","32","16","7052","7062","10.1021/acs.chemmater.0c02673","powder diffraction","neutron","1.1545","","","","","","","","","0.0654","","2.7","","","","","","","has coordinates","257102","2020-10-21","18:00:00",""
"4003660","11.8809","0.0007","20.2321","0.0012","8.0349","0.0004","90","","90","","90","","1931.39","0.19","271.5","0.3","271.5","0.3","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C6 H21 Bi Cl6 F3 N3 -","- C6 H21 Bi Cl6 F3 N3 -","- C24 H84 Bi4 Cl24 F12 N12 -","4","1","","Chu, Lu-Lu; Zhang, Tie; Gao, Ya-Fang; Zhang, Wan-Ying; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","Fluorine Substitution in Ethylamine Triggers Second Harmonic Generation in Noncentrosymmetric Crystalline [NH3CH2CH2F]3BiCl6","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02223","","","0.71073","MoKα","","0.0758","0.0533","","","0.1273","0.1337","","","","","","1.014","","","","has coordinates","255322","2020-10-21","18:00:00",""
"4003661","11.962","0.0008","20.4349","0.0015","8.0383","0.0005","90","","90","","90","","1964.9","0.2","383","2","383","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C6 H21 Bi Cl6 F3 N3 -","- C6 H21 Bi Cl6 F3 N3 -","- C24 H84 Bi4 Cl24 F12 N12 -","4","1","","Chu, Lu-Lu; Zhang, Tie; Gao, Ya-Fang; Zhang, Wan-Ying; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","Fluorine Substitution in Ethylamine Triggers Second Harmonic Generation in Noncentrosymmetric Crystalline [NH3CH2CH2F]3BiCl6","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02223","","","0.71073","MoKα","","0.0567","0.0469","","","0.1243","0.1309","","","","","","1.02","","","","has coordinates","255323","2020-10-21","18:00:00",""
"4003662","8.2106","0.0003","8.2106","0.0003","8.2106","0.0003","90","","90","","90","","553.51","0.04","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ba2 Mn O6 Te -","- Ba2 Mn0.99976 O5.99952 Te0.99976 -","- Ba8 Mn3.99904 O23.9981 Te3.99904 -","4","0.0208333","","Mustonen, Otto H. J.; Pughe, Charlotte E.; Walker, Helen C.; Mutch, Heather M.; Stenning, Gavin B. G.; Coomer, Fiona C.; Cussen, Edmund J.","Diamagnetic d-Orbitals Drive Magnetic Structure Selection in the Double Perovskite Ba2MnTeO6","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02971","powder diffraction","","","TOFNeutronDiffraction","","","","","","","","","2.3373","1.9552","","","","","","","has coordinates","255324","2020-10-21","18:00:00",""
"4003663","8.2066","0.0003","8.2066","0.0003","8.2066","0.0003","90","","90","","90","","552.7","0.03","2","","2","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ba2 Mn O6 Te -","- Ba2 Mn0.99976 O5.99952 Te0.99976 -","- Ba8 Mn3.99904 O23.9981 Te3.99904 -","4","0.0208333","","Mustonen, Otto H. J.; Pughe, Charlotte E.; Walker, Helen C.; Mutch, Heather M.; Stenning, Gavin B. G.; Coomer, Fiona C.; Cussen, Edmund J.","Diamagnetic d-Orbitals Drive Magnetic Structure Selection in the Double Perovskite Ba2MnTeO6","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02971","powder diffraction","","","TOFNeutronDiffraction","","","","","","","","","2.5121","3.5355","","","","","","","has coordinates","255325","2020-10-21","18:00:00",""
"4003664","28.104","0.007","4.9819","0.0015","15.811","0.006","90","","92.016","0.027","90","","2212.3","1.2","300","","300","","","","100","","","","","5","P 1 21 1","P 2yb","4","Fmoc-pentafluoro-L-phenylalanine","(S)-2-(Fmoc-amino)-3-(pentafluorophenyl)propionic acid","","- C48 H32 F10 N2 O8 -","- C48 H32 F10 N2 O8 -","- C96 H64 F20 N4 O16 -","2","1","","Cohen-Gerassi, Dana; Arnon, Zohar A.; Guterman, Tom; Levin, Aviad; Ghosh, Moumita; Aviv, Moran; Levy, Davide; Knowles, Tuomas P. J.; Shacham-Diamand, Yosi; Adler-Abramovich, Lihi","Phase Transition and Crystallization Kinetics of a Supramolecular System in a Microfluidic Platform","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02187","powder diffraction","x-ray","1.5405","CuKα~1,2~","","","","","","0.09958","","0.29649","","31.967","","","","","","","has coordinates","255409","2020-10-21","18:00:00",""
"4003665","13.096","0.01","5.955","0.004","7.727","0.006","90","","92.877","0.012","90","","601.8","0.8","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Bi2 F2 O9 Rb2 Se3 -","- Bi2 F2 O9 Rb2 Se3 -","- Bi4 F4 O18 Rb4 Se6 -","2","0.5","","Shi, Shuangshuang; Lin, Chensheng; Yang, Guangsai; Cao, Liling; Li, Bingxuan; Yan, Tao; Luo, Min; Ye, Ning","A2Bi2(SeO3)3F2 (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02837","","","0.71073","MoKα","","0.0354","0.0328","","","0.0605","0.0617","","","","","","1.025","","","","has coordinates","255834","2020-10-21","18:00:00",""
"4003666","12.8396","0.0005","5.8831","0.0003","7.6506","0.0003","90","","93.076","0.003","90","","577.07","0.04","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Bi2 F2 K2 O9 Se3 -","- Bi2 F2 K2 O9 Se3 -","- Bi4 F4 K4 O18 Se6 -","2","0.5","","Shi, Shuangshuang; Lin, Chensheng; Yang, Guangsai; Cao, Liling; Li, Bingxuan; Yan, Tao; Luo, Min; Ye, Ning","A2Bi2(SeO3)3F2 (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02837","","","0.71073","MoKα","","0.045","0.0449","","","0.1132","0.1134","","","","","","1.019","","","","has coordinates","255835","2020-10-21","18:00:00",""
"4003667","13.0676","0.0002","7.8387","0.0001","6.2164","0.0001","90","","90","","90","","636.764","0.016","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Ge Li2 S4 Zn -","- Ge Li2 S4 Zn -","- Ge4 Li8 S16 Zn4 -","4","1","","Zhang, Jian-Han; Clark, Daniel J.; Brant, Jacilynn A.; Rosmus, Kimberly A.; Grima, Pedro; Lekse, Jonathan W.; Jang, Joon I.; Aitken, Jennifer A.","α-Li2ZnGeS4: A Wide-Bandgap Diamond-like Semiconductor with Excellent Balance between Laser-Induced Damage Threshold and Second Harmonic Generation Response","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02929","","","0.71073","MoKα","","0.0394","0.0381","","","0.096","0.0977","","","","","","1.065","","","","has coordinates","255836","2020-10-21","18:00:00",""
"4003668","35.45","0.004","5.4065","0.0006","5.3466","0.0006","90","","94.108","0.011","90","","1022.1","0.2","150","0.1","150","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H28 Cl4 Cu N2 -","- C18 H28 Cl4 Cu N2 -","- C36 H56 Cl8 Cu2 N4 -","2","0.5","","Sun, Bing; Liu, Xiao-Fei; Li, Xiang-Yang; Zhang, Yamin; Shao, Xiangfeng; Yang, Dezheng; Zhang, Hao-Li","Two-Dimensional Perovskite Chiral Ferromagnets","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02729","","x-ray","1.54184","CuKα","","0.0925","0.0772","","","0.208","0.2256","","","","","","1.105","","","","has coordinates","255837","2020-10-21","18:00:00",""
"4003669","35.47","0.002","5.4017","0.0003","5.3432","0.0003","90","","94.15","0.005","90","","1021.06","0.1","150","0.1","150","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H28 Cl4 Cu N2 -","- C18 H28 Cl4 Cu N2 -","- C36 H56 Cl8 Cu2 N4 -","2","0.5","","Sun, Bing; Liu, Xiao-Fei; Li, Xiang-Yang; Zhang, Yamin; Shao, Xiangfeng; Yang, Dezheng; Zhang, Hao-Li","Two-Dimensional Perovskite Chiral Ferromagnets","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02729","","x-ray","1.54184","CuKα","","0.0507","0.0503","","","0.1356","0.1362","","","","","","1.047","","","","has coordinates","255838","2020-10-21","18:00:00",""
"4003670","7.8788","0.0016","10.497","0.002","12.678","0.003","75.92","0.03","75.11","0.03","68.82","0.03","931.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H19 I3 N4 O2 Pb -","- C7 H19 I3 N4 O2 Pb -","- C14 H38 I6 N8 O4 Pb2 -","2","1","","Petrov, Andrey A.; Fateev, Sergey A.; Khrustalev, Victor N.; Li, Yumao; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.","Formamidinium Haloplumbate Intermediates: The Missing Link in a Chain of Hybrid Perovskites Crystallization","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02156","","","0.80246","synchrotron","","0.0592","0.0537","","","0.1263","0.1303","","","","","","0.951","","","","has coordinates","256266","2020-10-21","18:00:00",""
"4003671","22.334","0.005","12.933","0.003","11.629","0.002","90","","90","","90","","3359","1.2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C4 H16 Br4 N4 O Pb S -","- C4 H16 Br4 N4 O Pb S -","- C32 H128 Br32 N32 O8 Pb8 S8 -","8","2","","Petrov, Andrey A.; Fateev, Sergey A.; Khrustalev, Victor N.; Li, Yumao; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.","Formamidinium Haloplumbate Intermediates: The Missing Link in a Chain of Hybrid Perovskites Crystallization","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02156","","","0.80246","synchrotron","","0.0616","0.0566","","","0.1339","0.1399","","","","","","0.821","","","","has coordinates","256267","2020-10-21","18:00:00",""
"4003672","26.77","0.003","26.77","0.003","14.86","0.002","90","","90","","120","","9222.4","1.9","100","2","100","2","","","","","","","","5","P -6","P -6","174","","","","- C15 H75 I27 N30 Pb6 -","- C15 H75 I27 N30 Pb6 -","- C45 H225 I81 N90 Pb18 -","3","0.5","","Petrov, Andrey A.; Fateev, Sergey A.; Khrustalev, Victor N.; Li, Yumao; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.","Formamidinium Haloplumbate Intermediates: The Missing Link in a Chain of Hybrid Perovskites Crystallization","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02156","","","0.80246","synchrotron","","0.151","0.123","","","0.2654","0.2866","","","","","","1.049","","","","has coordinates,has disorder","256268","2020-10-21","18:00:00",""
"4003673","40.2","0.008","45.72","0.009","4.58","0.0009","90","","90","","90","","8418","3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H38 I8 N8 O4 Pb3 -","- C14 H38 I8 N8 O4 Pb3 -","- C112 H304 I64 N64 O32 Pb24 -","8","0.5","","Petrov, Andrey A.; Fateev, Sergey A.; Khrustalev, Victor N.; Li, Yumao; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.","Formamidinium Haloplumbate Intermediates: The Missing Link in a Chain of Hybrid Perovskites Crystallization","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02156","","","0.80246","synchrotron","","0.048","0.0445","","","0.1014","0.1036","","","","","","0.849","","","","has coordinates","256269","2020-10-21","18:00:00",""
"4003674","9.696","0.002","14.231","0.003","14.463","0.003","61.9","0.03","80.4","0.01","81.798","0.01","1731","0.8","338","","338.01","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","2","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","1.54178","CuKα","","0.0993","0.0669","","","0.1744","0.1976","","","","","","1.028","","","","has coordinates,has disorder","257104","2020-10-21","18:00:00",""
"4003675","12.0252","0.0007","11.2377","0.0008","12.8272","0.0007","90","","107.647","0.005","90","","1651.84","0.18","293","2","292.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","1.54178","CuKα","K-L~3~","0.046","0.0435","","","0.1264","0.1298","","","","","","1.042","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003676","10.6975","0.0018","15.393","0.003","13.243","0.002","90","","106.48","0.012","90","","2091.1","0.6","400","","400","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","","1.54178","CuKα","","0.101","0.0938","","","0.3217","0.3423","","","","","","1.513","","","","has coordinates,has disorder","257104","2020-10-21","18:00:00",""
"4003677","10.8057","0.001","15.6397","0.0011","12.2854","0.0012","90","","103.71","0.007","90","","2017.1","0.3","292.95","","292.95","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","","1.54178","CuKα","","0.0471","0.0451","","","0.1331","0.1358","","","","","","1.053","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003678","11.905","0.004","10.908","0.003","12.779","0.004","90","","106.98","0.009","90","","1587.1","0.9","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","0.71073","MoKα","K-L~3~","0.0449","0.0382","","","0.1017","0.1076","","","","","","1.033","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003679","11.435","0.004","12.244","0.004","12.327","0.004","75.535","0.016","89.055","0.016","84.774","0.019","1664.2","1","250","","250.01","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","2","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","0.71073","MoKα","","0.0673","0.0463","","","0.1141","0.1252","","","","","","1.037","","","","has coordinates,has disorder","257104","2020-10-21","18:00:00",""
"4003680","10.567","0.003","10.408","0.003","14.788","0.004","90","","95.028","0.012","90","","1620.1","0.8","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nifedipine","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","","0.71073","MoKα","","0.037","0.0355","","","0.0981","0.0994","","","","","","1.061","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003681","10.784","0.006","15.647","0.01","11.918","0.007","90","","102.459","0.014","90","","1964","2","100.01","","100.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","0.71073","MoKα","K-L~3~","0.0482","0.0403","","","0.1085","0.1138","","","","","","1.064","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003682","11.4502","0.0005","12.3005","0.0006","12.3562","0.0008","75.627","0.01","89.094","0.006","84.933","0.007","1679.19","0.17","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O5.9995 -","- C68 H72 N8 O23.998 -","4","2","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","1.54178","CuKα","","0.0474","0.0438","","","0.1181","0.1216","","","","","","1.036","","","","has coordinates,has disorder","257104","2020-10-21","18:00:00",""
"4003683","10.929","0.003","10.304","0.004","14.812","0.005","90","","93.166","0.017","90","","1665.5","1","297","2","297.44","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","0.71073","MoKα","","0.0868","0.0473","","","0.1076","0.1255","","","","","","1.031","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003684","19.065","0.006","11.506","0.004","15.109","0.005","90","","108.962","0.018","90","","3134.5","1.8","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C136 H144 N16 O48 -","8","2","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","0.71073","MoKα","","0.0613","0.0576","","","0.1581","0.1603","","","","","","1.129","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003685","25.1726","0.0018","25.1726","0.0018","36.76","0.003","90","","90","","90","","23293","3","250","","250","","","","","","","","","2","P 42/n :2","-P 4bc","86","","","","- Ce38 O33.33 -","- Ce38 O33.3332 -","- Ce76 O66.6664 -","2","0.25","","Wasson, Megan C.; Zhang, Xuan; Otake, Ken-ichi; Rosen, Andrew S.; Alayoglu, Selim; Krzyaniak, Matthew D.; Chen, Zhijie; Redfern, Louis R.; Robison, Lee; Son, Florencia A.; Chen, Yongwei; Islamoglu, Timur; Notestein, Justin M.; Snurr, Randall Q.; Wasielewski, Michael R.; Farha, Omar K.","Supramolecular Porous Assemblies of Atomically Precise Catalytically Active Cerium-Based Clusters","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02740","","x-ray","1.54178","CuKα","","0.4172","0.3723","","","0.7872","0.8067","","","","","","3.644","","","","has coordinates","256461","2020-10-21","18:00:00",""
"4003686","23.2865","0.0008","23.2865","0.0008","34.8183","0.0014","90","","90","","90","","18880.6","1.2","100","2","100","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C114 H80 Ce38 O114 -","- C114 H80 Ce38 O114 -","- C228 H160 Ce76 O228 -","2","0.125","","Wasson, Megan C.; Zhang, Xuan; Otake, Ken-ichi; Rosen, Andrew S.; Alayoglu, Selim; Krzyaniak, Matthew D.; Chen, Zhijie; Redfern, Louis R.; Robison, Lee; Son, Florencia A.; Chen, Yongwei; Islamoglu, Timur; Notestein, Justin M.; Snurr, Randall Q.; Wasielewski, Michael R.; Farha, Omar K.","Supramolecular Porous Assemblies of Atomically Precise Catalytically Active Cerium-Based Clusters","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02740","","","0.71073","MoKα","","0.1589","0.1092","","","0.3307","0.4052","","","","","","1.329","","","","has coordinates","256462","2020-10-21","18:00:00",""
"4003687","16.79","0.002","8.0795","0.0011","7.7649","0.0011","90","","90","","90","","1053.3","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C5 H14 Cd Cl3 N O -","- C5 H14 Cd Cl3 N O -","- C20 H56 Cd4 Cl12 N4 O4 -","4","1","","Deswal, Swati; Singh, Sachin Kumar; Pandey, Richa; Nasa, Parveen; Kabra, Dinesh; Praveenkumar, Balu; Ogale, Satishchandra; Boomishankar, Ramamoorthy","Neutral 1D Perovskite-Type ABX3 Ferroelectrics with High Mechanical Energy Harvesting Performance","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02179","","","0.71073","MoKα","","0.0126","0.0124","","","0.0299","0.0299","","","","","","1.082","","","","has coordinates","256742","2020-10-21","18:00:00",""
"4003688","6.741","0.016","16.67","0.04","9.65","0.02","90","","90","","90","","1084","4","363","2","363","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C5 H14 Cd Cl3 N O -","- C5 H14 Cd Cl3 N O -","- C20 H56 Cd4 Cl12 N4 O4 -","4","1","","Deswal, Swati; Singh, Sachin Kumar; Pandey, Richa; Nasa, Parveen; Kabra, Dinesh; Praveenkumar, Balu; Ogale, Satishchandra; Boomishankar, Ramamoorthy","Neutral 1D Perovskite-Type ABX3 Ferroelectrics with High Mechanical Energy Harvesting Performance","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02179","","","0.71073","MoKα","","0.2715","0.0976","","","0.2399","0.343","","","","","","1.005","","","","has coordinates,has disorder","256743","2020-10-21","18:00:00",""
"4003689","16.942","0.004","8.202","0.002","7.811","0.002","90","","90","","90","","1085.4","0.5","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C5 H14 Cd Cl3 N O -","- C5 H14 Cd Cl3 N O -","- C20 H56 Cd4 Cl12 N4 O4 -","4","1","","Deswal, Swati; Singh, Sachin Kumar; Pandey, Richa; Nasa, Parveen; Kabra, Dinesh; Praveenkumar, Balu; Ogale, Satishchandra; Boomishankar, Ramamoorthy","Neutral 1D Perovskite-Type ABX3 Ferroelectrics with High Mechanical Energy Harvesting Performance","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02179","","","0.71073","MoKα","","0.0178","0.0169","","","0.0376","0.0382","","","","","","1.153","","","","has coordinates","256744","2020-10-21","18:00:00",""
"4003690","8.9377","0.0003","9.8247","0.0004","9.1683","0.0003","90","","106.746","0.001","90","","770.93","0.05","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Ba Bi O14 P4 Rb3 -","- Ba Bi O14 P4 Rb3 -","- Ba2 Bi2 O28 P8 Rb6 -","2","1","","Qi, Lu; Chen, Zhaohui; Shi, Xuerui; Zhang, Xiaodong; Jing, Qun; Li, Na; Jiang, Zhongqi; Zhang, Bingbing; Lee, Ming-Hsien","A3BBi(P2O7)2 (A = Rb, Cs; B = Pb, Ba): Isovalent Cation Substitution to Sustain Large Second-Harmonic Generation Responses","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03383","","","0.71073","MoKα","","0.0316","0.0261","","","0.0535","0.0545","","","","","","0.981","","","","has coordinates","256808","2020-10-21","18:00:00",""
"4003691","9.4656","0.0003","9.9015","0.0003","17.6265","0.0006","90","","90","","90","","1652.02","0.09","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Ba Bi Cs3 O14 P4 -","- Ba Bi Cs3 O14 P4 -","- Ba4 Bi4 Cs12 O56 P16 -","4","1","","Qi, Lu; Chen, Zhaohui; Shi, Xuerui; Zhang, Xiaodong; Jing, Qun; Li, Na; Jiang, Zhongqi; Zhang, Bingbing; Lee, Ming-Hsien","A3BBi(P2O7)2 (A = Rb, Cs; B = Pb, Ba): Isovalent Cation Substitution to Sustain Large Second-Harmonic Generation Responses","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03383","","","0.71073","MoKα","","0.0258","0.0211","","","0.0385","0.0394","","","","","","0.907","","","","has coordinates","256809","2020-10-21","18:00:00",""
"4003692","8.0618","0.0005","7.8928","0.0004","19.7697","0.0012","90","","101.734","0.002","90","","1231.66","0.12","200","2","199.98","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C8 H24 Ag Bi Br7 Cs N2 -","- C8 H24 Ag Bi Br7 Cs N2 -","- C16 H48 Ag2 Bi2 Br14 Cs2 N4 -","2","1","","Liu, Xitao; Xu, Zhiyun; Long, Peiqing; Yao, Yunpeng; Ji, Chengmin; Li, Lina; Sun, Zhihua; Hong, Maochun; Luo, Junhua","A Multiaxial Layered Halide Double Perovskite Ferroelectric with Multiple Ferroic Orders","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02966","","x-ray","0.71073","MoKα","","0.0394","0.0358","","","0.0748","0.0764","","","","","","1.061","","","","has coordinates","258232","2020-10-21","18:00:00",""
"4003693","5.7059","0.0005","5.7059","0.0005","40.293","0.006","90","","90","","90","","1311.8","0.3","400","2","400.15","","","","","","","","","7","I 4/m m m","-I 4 2","139","","","","- C8 H24 Ag Bi Br7 Cs N2 -","- C8 H24 Ag Bi Br7 Cs N2 -","- C16 H48 Ag2 Bi2 Br14 Cs2 N4 -","2","0.0625","","Liu, Xitao; Xu, Zhiyun; Long, Peiqing; Yao, Yunpeng; Ji, Chengmin; Li, Lina; Sun, Zhihua; Hong, Maochun; Luo, Junhua","A Multiaxial Layered Halide Double Perovskite Ferroelectric with Multiple Ferroic Orders","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02966","","x-ray","0.71073","MoKα","","0.0835","0.0545","","","0.1524","0.1703","","","","","","1.094","","","","has coordinates,has disorder","258233","2020-10-21","18:00:00",""
"4003694","8.0589","0.0009","8.0388","0.0009","19.876","0.002","90","","101.719","0.004","90","","1260.8","0.2","298","2","298.02","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C8 H24 Ag Bi Br7 Cs N2 -","- C8 H24 Ag Bi Br7 Cs N2 -","- C16 H48 Ag2 Bi2 Br14 Cs2 N4 -","2","0.5","","Liu, Xitao; Xu, Zhiyun; Long, Peiqing; Yao, Yunpeng; Ji, Chengmin; Li, Lina; Sun, Zhihua; Hong, Maochun; Luo, Junhua","A Multiaxial Layered Halide Double Perovskite Ferroelectric with Multiple Ferroic Orders","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02966","","x-ray","0.71073","MoKα","","0.0884","0.056","","","0.1347","0.1478","","","","","","1.066","","","","has coordinates,has disorder","258234","2020-10-21","18:00:00",""
"4003695","11.4701","0.0004","11.2676","0.0004","10.4804","0.0004","90","","90","","90","","1354.49","0.08","293","","293","","","","","","","","","3","I m a 2","I 2 -2a","46","","","","- Ga3 La2 O7.5 -","- Ga3 La2 O7.5 -","- Ga24 La16 O60 -","8","1","","Fan, Jintai; Sarou-Kanian, Vincent; Yang, Xiaoyan; Diaz-Lopez, Maria; Fayon, Franck; Kuang, Xiaojun; Pitcher, Michael J.; Allix, Mathieu","La2Ga3O7.5: A Metastable Ternary Melilite with a Super-Excess of Interstitial Oxide Ions Synthesized by Direct Crystallization of the Melt","Chemistry of Materials","2020","32","20","9016","9025","10.1021/acs.chemmater.0c03441","powder diffraction","x-ray","0.41273","","","0.019","0.019","","0.0239","0.0239","","","","1.75","","","","","","","has coordinates","258706","2020-11-04","01:19:33",""
"4003696","16.7728","0.0014","24.4188","0.0019","21.8661","0.0017","90","","91.092","0.004","90","","8954.1","1.2","230","2","230","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H81 Ag2.91 Au9.59 S9 -","- C78 H81 Ag2.907 Au9.593 S9 -","- C312 H324 Ag11.628 Au38.372 S36 -","4","1","","Li, Yingwei; Biswas, Saborni; Luo, Tian-Yi; Juarez-Mosqueda, Rosalba; Taylor, Michael G.; Mpourmpakis, Giannis; Rosi, Nathaniel L.; Hendrich, Michael P.; Jin, Rongchao","Doping Effect on the Magnetism of Thiolate-Capped 25-Atom Alloy Nanoclusters","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02984","","x-ray","1.54178","CuKα","","0.0507","0.0417","","","0.1111","0.1178","","","","","","1.051","","","","has coordinates","258531","2020-10-21","22:21:34",""
"4003697","4.7896","0.0002","50.055","0.003","6.505","0.0004","90","","105.331","0.007","90","","1504.03","0.15","299","2","299","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H28 N4 O4 -","- C40 H28 N4 O4 -","- C80 H56 N8 O8 -","2","1","","Kumagai, Shohei; Ishii, Hiroyuki; Watanabe, Go; Annaka, Tatsuro; Fukuzaki, Eiji; Tani, Yukio; Sugiura, Hiroki; Watanabe, Tetsuya; Kurosawa, Tadanori; Takeya, Jun; Okamoto, Toshihiro","Cooperative Aggregations of Nitrogen-Containing Perylene Diimides Driven by Rigid and Flexible Functional Groups","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01888","","","1.54187","CuKα","","0.0983","0.0699","","","0.1682","0.2017","","","","","","0.928","","","","has coordinates","258560","2020-10-22","22:31:56",""
"4003698","7.7598","0.0004","4.7937","0.0003","35.5839","0.0019","90","","94.412","0.007","90","","1319.73","0.13","302","","302","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 N4 O4 -","- C36 H20 N4 O4 -","- C72 H40 N8 O8 -","2","0.5","","Kumagai, Shohei; Ishii, Hiroyuki; Watanabe, Go; Annaka, Tatsuro; Fukuzaki, Eiji; Tani, Yukio; Sugiura, Hiroki; Watanabe, Tetsuya; Kurosawa, Tadanori; Takeya, Jun; Okamoto, Toshihiro","Cooperative Aggregations of Nitrogen-Containing Perylene Diimides Driven by Rigid and Flexible Functional Groups","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01888","","","1.54187","CuKα","","0.1715","0.0851","","","0.2029","0.2688","","","","","","1.038","","","","has coordinates","258561","2020-10-22","22:32:19",""
"4003699","6.0482","0.0004","13.5208","0.0008","19.2871","0.0012","90","","95.364","0.002","90","","1570.32","0.17","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H30 Pt -","- C16 H30 Pt -","- C64 H120 Pt4 -","4","0.5","","Liu, Sumeng; Zhang, Zhejun; Gray, Danielle; Zhu, Lingyang; Abelson, John R.; Girolami, Gregory S.","Platinum ω-Alkenyl Compounds as Chemical Vapor Deposition Precursors: Synthesis and Characterization of Pt[CH2CMe2CH2CH═CH2]2 and the Impact of Ligand Design on the Deposition Process","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03226","","","0.71073","MoKα","","0.0119","0.0118","","","0.0303","0.0304","","","","","","1.21","","","","has coordinates","258615","2020-10-27","23:20:23",""
"4003700","5.8662","0.0003","21.5914","0.0011","22.3599","0.001","90","","91.6292","0.0015","90","","2830.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 Pt -","- C14 H26 Pt -","- C112 H208 Pt8 -","8","2","","Liu, Sumeng; Zhang, Zhejun; Gray, Danielle; Zhu, Lingyang; Abelson, John R.; Girolami, Gregory S.","Platinum ω-Alkenyl Compounds as Chemical Vapor Deposition Precursors: Synthesis and Characterization of Pt[CH2CMe2CH2CH═CH2]2 and the Impact of Ligand Design on the Deposition Process","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03226","","","0.71073","MoKα","","0.0157","0.0142","","","0.029","0.0293","","","","","","1.169","","","","has coordinates","258616","2020-10-27","23:20:49",""
"4003701","9.717","0.0004","11.9545","0.0005","13.2835","0.0006","90","","110.537","0.0015","90","","1444.97","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H23 Br Pt -","- C14 H23 Br Pt -","- C56 H92 Br4 Pt4 -","4","2","","Liu, Sumeng; Zhang, Zhejun; Gray, Danielle; Zhu, Lingyang; Abelson, John R.; Girolami, Gregory S.","Platinum ω-Alkenyl Compounds as Chemical Vapor Deposition Precursors: Synthesis and Characterization of Pt[CH2CMe2CH2CH═CH2]2 and the Impact of Ligand Design on the Deposition Process","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03226","","","0.71073","MoKα","","0.0227","0.0189","","","0.0325","0.0335","","","","","","1.07","","","","has coordinates","258617","2020-10-27","23:21:11",""
"4003702","6.2341","0.0002","10.3493","0.0003","18.936","0.0006","90","","92.5422","0.0008","90","","1220.52","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 Pt -","- C12 H22 Pt -","- C48 H88 Pt4 -","4","1","","Liu, Sumeng; Zhang, Zhejun; Gray, Danielle; Zhu, Lingyang; Abelson, John R.; Girolami, Gregory S.","Platinum ω-Alkenyl Compounds as Chemical Vapor Deposition Precursors: Synthesis and Characterization of Pt[CH2CMe2CH2CH═CH2]2 and the Impact of Ligand Design on the Deposition Process","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03226","","","0.71073","MoKα","","0.03","0.0278","","","0.0693","0.0703","","","","","","1.23","","","","has coordinates","258618","2020-10-27","23:21:34",""
"4003703","18.3933","0.0006","9.0744","0.0003","11.3108","0.0004","90","","104.951","0.001","90","","1823.95","0.11","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H34 Pt -","- C20 H34 Pt -","- C80 H136 Pt4 -","4","0.5","","Liu, Sumeng; Zhang, Zhejun; Gray, Danielle; Zhu, Lingyang; Abelson, John R.; Girolami, Gregory S.","Platinum ω-Alkenyl Compounds as Chemical Vapor Deposition Precursors: Synthesis and Characterization of Pt[CH2CMe2CH2CH═CH2]2 and the Impact of Ligand Design on the Deposition Process","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03226","","","0.71073","MoKα","","0.0195","0.0172","","","0.0367","0.0374","","","","","","1.125","","","","has coordinates","258619","2020-10-27","23:21:58",""
"4003704","12.3556","0.0012","11.0024","0.0011","7.2861","0.0007","90","","90","","90","","990.48","0.17","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- Ba F2 Mo2 O10 Se2 -","- Ba F2 Mo2 O10 Se2 -","- Ba4 F8 Mo8 O40 Se8 -","4","0.5","","Liang, Ming-Li; Ma, Yun-Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","Ba(MoO2F)2(QO3)2 (Q = Se, Te): Partial Fluorination of MoO6 Octahedra Enabling Two Polar Solids with Strong and Phase Matchable SHG Response","Chemistry of Materials","2020","32","22","9688","9695","10.1021/acs.chemmater.0c03353","","","0.71073","MoKα","","0.0394","0.039","","","0.1013","0.1016","","","","","","1.093","","","","has coordinates","259513","2020-12-04","02:15:51",""
"4003705","12.5605","0.0007","11.0264","0.0006","7.2858","0.0006","90","","90","","90","","1009.06","0.11","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- Ba F2 Mo2 O10 Te2 -","- Ba F2 Mo2 O10 Te2 -","- Ba4 F8 Mo8 O40 Te8 -","4","0.5","","Liang, Ming-Li; Ma, Yun-Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","Ba(MoO2F)2(QO3)2 (Q = Se, Te): Partial Fluorination of MoO6 Octahedra Enabling Two Polar Solids with Strong and Phase Matchable SHG Response","Chemistry of Materials","2020","32","22","9688","9695","10.1021/acs.chemmater.0c03353","","","0.71073","MoKα","","0.0249","0.0235","","","0.0559","0.0568","","","","","","1.053","","","","has coordinates","259513","2020-12-04","02:15:51",""
"4003706","3.9063","0.0002","3.9063","0.0002","10.436","0.0009","90","","90","","90","","159.245","0.018","299","2","299.19","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Cu4.23 Rb S2 Te -","- Cu4.232 Rb S2 Te -","- Cu4.232 Rb S2 Te -","1","0.0625","","Hodges, James M.; Xia, Yi; Malliakas, Christos D.; Slade, Tyler J.; Wolverton, Chris; Kanatzidis, Mercouri G.","Mixed-Valent Copper Chalcogenides: Tuning Structures and Electronic Properties Using Multiple Anions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03620","","","0.71073","MoKα","","0.0211","0.0173","","","0.0336","0.0343","","","","","","1.133","","","","has coordinates","259173","2020-11-18","23:20:31",""
"4003707","3.889","0.003","3.889","0.003","10.269","0.008","90","","90","","90","","155.3","0.2","300","","300","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Cu4.22 K S2 Te -","- Cu4.223 K S2 Te -","- Cu4.223 K S2 Te -","1","0.0625","","Hodges, James M.; Xia, Yi; Malliakas, Christos D.; Slade, Tyler J.; Wolverton, Chris; Kanatzidis, Mercouri G.","Mixed-Valent Copper Chalcogenides: Tuning Structures and Electronic Properties Using Multiple Anions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03620","","","0.71073","MoKα","","0.0195","0.0169","","","0.03","0.0306","","","","","","1.146","","","","has coordinates","259174","2020-11-18","23:20:53",""
"4003708","3.9443","0.0005","3.9443","0.0005","10.689","0.003","90","","90","","90","","166.29","0.06","300","","300","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Cs Cu4.17 S2 Te -","- Cs Cu4.173 S2 Te -","- Cs Cu4.173 S2 Te -","1","0.0625","","Hodges, James M.; Xia, Yi; Malliakas, Christos D.; Slade, Tyler J.; Wolverton, Chris; Kanatzidis, Mercouri G.","Mixed-Valent Copper Chalcogenides: Tuning Structures and Electronic Properties Using Multiple Anions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03620","","","0.71073","MoKα","","0.0153","0.0151","","","0.039","0.0392","","","","","","1.164","","","","has coordinates","259175","2020-11-18","23:21:12",""
"4003709","18.117","0.018","3.937","0.004","9.982","0.01","90","","102.542","0.017","90","","695","1.2","300","2","300","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cu8 K3 S4 Te2 -","- Cu8 K3 S4 Te2 -","- Cu16 K6 S8 Te4 -","2","0.25","","Hodges, James M.; Xia, Yi; Malliakas, Christos D.; Slade, Tyler J.; Wolverton, Chris; Kanatzidis, Mercouri G.","Mixed-Valent Copper Chalcogenides: Tuning Structures and Electronic Properties Using Multiple Anions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03620","","","0.71073","MoKα","","0.0977","0.0523","","","0.1071","0.1221","","","","","","1.006","","","","has coordinates","259176","2020-11-18","23:21:33",""
"4003710","12.3109","0.0005","12.3269","0.0005","12.5501","0.0005","83.794","0.003","61.629","0.004","69.996","0.004","1571.27","0.13","150.03","0.11","150.03","0.11","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0687","0.0502","","","0.1222","0.1325","","","","","","1.063","","","","has coordinates","259217","2020-11-21","23:26:02",""
"4003711","12.3404","0.0005","12.3475","0.0005","12.5777","0.0005","61.702","0.004","83.854","0.003","70.058","0.004","1582.83","0.13","200.01","0.1","200.15","","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","","0.71073","MoKα","","0.0693","0.0503","","","0.1206","0.1313","","","","","","1.064","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003712","12.352","0.001","12.3884","0.0009","12.6137","0.001","61.774","0.008","83.962","0.007","70.143","0.007","1595.9","0.3","250.01","0.1","250.01","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0727","0.0503","","","0.1176","0.1292","","","","","","1.055","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003713","12.3568","0.0007","12.3965","0.0006","12.6191","0.0007","61.777","0.005","83.979","0.004","70.163","0.005","1598.53","0.18","260.01","0.1","260.01","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0728","0.0498","","","0.1177","0.1297","","","","","","1.053","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003714","12.3669","0.0009","12.4054","0.0008","12.6172","0.0009","61.79","0.007","83.901","0.006","70.19","0.007","1601.4","0.2","270.01","0.1","270.01","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0731","0.0504","","","0.122","0.1343","","","","","","1.057","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003715","12.3619","0.001","12.4114","0.0009","12.6194","0.001","61.792","0.008","83.897","0.007","70.2","0.007","1602","0.3","280","0.1","280","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0746","0.0507","","","0.1218","0.1348","","","","","","1.062","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003716","12.3613","0.0008","12.4197","0.0007","12.6305","0.0008","61.795","0.006","83.89","0.005","70.211","0.006","1604.6","0.2","285","0.1","285","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0775","0.0524","","","0.1276","0.1415","","","","","","1.058","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003717","12.358","0.0006","12.4241","0.0006","12.6348","0.0006","61.798","0.005","83.948","0.004","70.235","0.005","1605.44","0.17","290","0.1","290","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.079","0.0533","","","0.1339","0.1492","","","","","","1.064","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003718","12.3576","0.0006","12.4308","0.0006","12.6413","0.0006","61.811","0.005","83.964","0.004","70.259","0.004","1607.51","0.16","295","0.1","295","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0819","0.055","","","0.1375","0.1531","","","","","","1.065","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003719","12.3576","0.0006","12.4403","0.0006","12.6515","0.0006","61.802","0.005","83.982","0.004","70.257","0.004","1609.84","0.16","300","0.1","300","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0846","0.0568","","","0.1411","0.1581","","","","","","1.058","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003720","12.3499","0.0006","12.4427","0.0006","12.6546","0.0006","61.797","0.005","84.006","0.004","70.277","0.004","1609.63","0.16","305","0.1","305","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0856","0.0571","","","0.1429","0.1596","","","","","","1.075","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003721","12.3453","0.0006","12.4515","0.0007","12.6638","0.0006","61.802","0.005","84.009","0.004","70.293","0.005","1611.59","0.17","310","0.1","310","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0884","0.059","","","0.1495","0.1672","","","","","","1.063","","","","has coordinates,has disorder","259217","2020-11-21","23:26:05",""
"4003722","12.3403","0.0007","12.4634","0.0007","12.6799","0.0006","61.782","0.005","83.994","0.004","70.307","0.005","1614.4","0.18","315","0.1","315","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0905","0.0582","","","0.1429","0.1603","","","","","","1.049","","","","has coordinates,has disorder","259217","2020-11-21","23:26:05",""
"4003723","12.3278","0.0007","12.4746","0.0007","12.6948","0.0007","61.776","0.005","84.004","0.004","70.311","0.005","1616.03","0.18","320","0.1","320","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0919","0.06","","","0.1475","0.1657","","","","","","1.068","","","","has coordinates,has disorder","259217","2020-11-21","23:26:05",""
"4003724","12.3121","0.0007","12.4938","0.0007","12.7234","0.0007","61.748","0.006","83.986","0.004","70.332","0.005","1619.93","0.19","325","0.1","325","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0973","0.0608","","","0.1485","0.169","","","","","","1.052","","","","has coordinates,has disorder","259217","2020-11-21","23:26:05",""
"4003725","12.274","0.0008","12.5196","0.0008","12.7656","0.0008","61.726","0.006","83.95","0.005","70.355","0.006","1623.6","0.2","330","0.1","330","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.103","0.0627","","","0.155","0.1789","","","","","","1.049","","","","has coordinates,has disorder","259217","2020-11-21","23:26:05",""
"4003726","11.7635","0.001","12.716","0.0012","13.2423","0.0014","61.743","0.01","83.25","0.008","70.312","0.008","1640.7","0.3","335","0.1","335","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1964","0.0776","","","0.1792","0.2426","","","","","","0.96","","","","has coordinates","259217","2020-11-21","23:26:05",""
"4003727","11.742","0.004","12.726","0.006","13.244","0.008","61.97","0.06","83.7","0.05","70.4","0.04","1642.9","1.7","340","0.1","340.15","","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","","0.71073","MoKα","","0.3859","0.1346","","","0.2872","0.4305","","","","","","0.894","","","","has coordinates","259217","2020-11-21","23:26:05",""
"4003728","12.3091","0.0008","12.3318","0.0007","12.5556","0.0008","83.814","0.005","61.692","0.006","70.031","0.006","1573.7","0.2","150.04","0.1","150.15","","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","","0.71073","MoKα","","0.0795","0.0674","","","0.1769","0.1901","","","","","","1.054","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003729","12.3396","0.0006","12.3455","0.0007","12.5794","0.0007","61.758","0.006","83.839","0.004","70.09","0.004","1583.94","0.18","200.12","0.18","200.12","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0759","0.0605","","","0.1645","0.1802","","","","","","1.048","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003730","12.3506","0.0006","12.3765","0.0008","12.6006","0.0008","61.82","0.007","83.971","0.005","70.183","0.005","1593.7","0.2","250.13","0.19","250.13","0.19","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0804","0.0611","","","0.1615","0.1791","","","","","","1.073","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003731","12.3527","0.0004","12.3932","0.0004","12.6146","0.0005","61.837","0.004","83.951","0.003","70.212","0.003","1598.55","0.12","260.12","0.18","260.12","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0848","0.0651","","","0.1831","0.2079","","","","","","1.034","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003732","12.3546","0.0008","12.4019","0.0008","12.6211","0.0008","61.853","0.007","83.943","0.005","70.265","0.006","1601.6","0.2","270.12","0.18","270.12","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0813","0.0616","","","0.1632","0.1804","","","","","","1.078","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003733","12.3557","0.0008","12.409","0.0008","12.6301","0.0009","61.858","0.007","83.964","0.005","70.253","0.006","1603.7","0.2","280.13","0.19","280.13","0.19","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0824","0.0611","","","0.1661","0.1848","","","","","","1.089","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003734","12.3543","0.0007","12.4144","0.0008","12.6333","0.0008","61.848","0.007","83.983","0.005","70.265","0.005","1604.6","0.2","285.12","0.18","285.12","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.085","0.062","","","0.1649","0.1833","","","","","","1.077","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003735","12.3519","0.0006","12.4178","0.0008","12.6384","0.0008","61.849","0.006","84.019","0.005","70.287","0.005","1605.5","0.2","290","0.1","290","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0936","0.0668","","","0.1809","0.2113","","","","","","1.022","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003736","12.3518","0.0006","12.4273","0.0007","12.6453","0.0008","61.848","0.006","84.024","0.004","70.296","0.005","1607.67","0.19","295.12","0.18","295.12","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0846","0.0622","","","0.1696","0.1875","","","","","","1.077","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003737","12.3464","0.0006","12.4297","0.0008","12.6507","0.0008","61.839","0.006","84.038","0.005","70.31","0.005","1608","0.2","300.13","0.19","300.13","0.19","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0983","0.0692","","","0.1869","0.2186","","","","","","1.02","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003738","12.345","0.0006","12.4404","0.0008","12.6608","0.0008","61.851","0.006","84.06","0.005","70.327","0.005","1610.8","0.2","305.11","0.17","305.11","0.17","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1018","0.0703","","","0.1903","0.2265","","","","","","1.032","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003739","12.3393","0.0006","12.4487","0.0008","12.6703","0.0008","61.836","0.007","84.063","0.005","70.338","0.005","1612.2","0.2","310.11","0.16","310.11","0.16","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0966","0.0678","","","0.1877","0.2186","","","","","","1.05","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003740","12.3316","0.0006","12.4604","0.0008","12.6856","0.0009","61.826","0.007","84.054","0.005","70.356","0.005","1614.7","0.2","315.11","0.17","315.11","0.17","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0985","0.0671","","","0.1864","0.2229","","","","","","1.032","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003741","12.3204","0.0007","12.4737","0.0008","12.7049","0.0009","61.817","0.007","84.055","0.005","70.363","0.005","1617.3","0.2","320.12","0.18","320.12","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1112","0.0721","","","0.194","0.2397","","","","","","1.044","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003742","12.2986","0.0007","12.4901","0.0008","12.733","0.0009","61.801","0.007","84.024","0.005","70.382","0.006","1620.2","0.2","325.12","0.18","325.12","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetone solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1127","0.0707","","","0.1849","0.2209","","","","","","1.04","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003743","12.268","0.0017","12.561","0.002","12.796","0.002","61.832","0.019","83.988","0.014","70.362","0.016","1633.7","0.6","330.11","0.16","330.11","0.16","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2997","0.1375","","","0.3201","0.4574","","","","","","0.969","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003744","11.7995","0.0013","12.718","0.002","13.25","0.002","61.777","0.016","83.313","0.011","70.332","0.013","1647.6","0.5","335.11","0.16","335.11","0.16","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N5.5 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.229","0.0986","","","0.2564","0.3724","","","","","","0.912","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003745","11.839","0.002","12.711","0.003","13.24","0.003","61.98","0.02","83.451","0.019","70.26","0.02","1653.1","0.7","329.88","0.19","329.88","0.19","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.3241","0.1452","","","0.3365","0.4864","","","","","","0.978","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003746","12.2556","0.0016","12.498","0.002","12.774","0.002","61.82","0.018","84.034","0.013","70.369","0.014","1620.9","0.5","324.88","0.18","324.88","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2769","0.1265","","","0.3038","0.4401","","","","","","1.001","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003747","12.2925","0.0013","12.4694","0.0018","12.7203","0.0019","61.826","0.015","84.022","0.011","70.36","0.012","1615.3","0.5","319.89","0.17","319.89","0.17","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2498","0.1188","","","0.2871","0.4095","","","","","","0.947","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003748","12.3095","0.0012","12.4552","0.0016","12.69","0.0017","61.858","0.013","84.058","0.009","70.355","0.01","1612.2","0.4","314.88","0.19","314.88","0.19","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2187","0.1021","","","0.2576","0.3663","","","","","","0.954","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003749","12.3233","0.0012","12.4463","0.0017","12.6753","0.0018","61.872","0.014","84.076","0.01","70.331","0.011","1610.9","0.4","309.88","0.18","309.88","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2089","0.0955","","","0.247","0.348","","","","","","0.924","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003750","12.3242","0.0013","12.4292","0.0017","12.6654","0.0018","61.87","0.014","84.046","0.01","70.318","0.011","1607.4","0.4","304.88","0.19","304.88","0.19","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2247","0.1083","","","0.2692","0.383","","","","","","0.946","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003751","12.328","0.0012","12.4196","0.0015","12.6493","0.0016","61.88","0.013","84.069","0.009","70.309","0.01","1604.6","0.4","299.88","0.18","299.88","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2031","0.0955","","","0.2352","0.323","","","","","","0.95","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003752","12.3367","0.0012","12.4183","0.0016","12.6483","0.0017","61.869","0.014","84.077","0.01","70.289","0.011","1605.1","0.4","294.9","0.2","294.9","0.2","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2123","0.1007","","","0.2488","0.3442","","","","","","0.964","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003753","12.3384","0.0012","12.4127","0.0017","12.6478","0.0018","61.878","0.014","84.054","0.01","70.267","0.011","1604.4","0.4","289.88","0.18","289.88","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2267","0.109","","","0.2655","0.3793","","","","","","0.959","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003754","12.3384","0.0012","12.404","0.0015","12.632","0.0016","61.872","0.013","84.037","0.009","70.243","0.01","1601","0.4","284.87","0.18","284.87","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2054","0.1021","","","0.2486","0.3388","","","","","","0.955","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003755","12.3367","0.0012","12.3971","0.0016","12.6262","0.0017","61.846","0.013","84.026","0.01","70.239","0.01","1598.7","0.4","279.9","0.2","279.9","0.2","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2342","0.1178","","","0.2794","0.3974","","","","","","0.98","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003756","12.3381","0.0012","12.3911","0.0015","12.62","0.0016","61.862","0.013","84.023","0.009","70.233","0.01","1597.5","0.4","274.88","0.18","274.88","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2041","0.099","","","0.2415","0.3379","","","","","","0.952","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003757","12.3411","0.0012","12.3789","0.0016","12.61","0.0017","61.851","0.013","83.989","0.01","70.176","0.01","1594.4","0.4","259.9","0.2","259.9","0.2","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2476","0.1295","","","0.305","0.4308","","","","","","1.078","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003758","12.3363","0.001","12.3705","0.0012","12.5962","0.0013","61.827","0.01","83.958","0.008","70.162","0.008","1590.5","0.3","249.9","0.2","249.9","0.2","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1583","0.0825","","","0.1964","0.2439","","","","","","0.977","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003759","12.3315","0.001","12.3589","0.0012","12.5898","0.0013","61.806","0.01","83.941","0.008","70.149","0.008","1587.1","0.3","239.9","0.2","239.9","0.2","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.171","0.0929","","","0.2243","0.2841","","","","","","0.969","","","","has coordinates,has disorder","259218","2020-11-21","23:27:55",""
"4003760","12.3255","0.001","12.3417","0.0013","12.5804","0.0014","61.763","0.011","83.908","0.008","70.11","0.009","1581.9","0.3","219.8","0.2","219.8","0.2","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1854","0.0996","","","0.2342","0.3024","","","","","","0.958","","","","has coordinates,has disorder","259218","2020-11-21","23:27:55",""
"4003761","12.3148","0.001","12.3245","0.0013","12.5642","0.0014","61.72","0.011","83.854","0.008","70.065","0.009","1575.3","0.3","199.8","0.4","199.8","0.4","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1766","0.096","","","0.2319","0.2981","","","","","","0.961","","","","has coordinates,has disorder","259218","2020-11-21","23:27:55",""
"4003762","12.3169","0.0011","12.318","0.0013","12.5594","0.0014","61.695","0.011","83.845","0.008","70.035","0.009","1573.4","0.3","179.8","0.4","179.8","0.4","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","","0.71073","MoKα","","0.2433","0.1119","","","0.2635","0.3713","","","","","","0.936","","","","has coordinates,has disorder","259218","2020-11-21","23:27:55",""
"4003763","12.297","0.0015","12.31","0.0014","12.5469","0.0015","83.839","0.01","61.617","0.013","70.042","0.011","1567.2","0.4","159.5","0.9","159.5","0.9","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H26 Fe N6 O4 S -","- C74 H52 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1944","0.1101","","","0.2676","0.3568","","","","","","0.989","","","","has coordinates,has disorder","259218","2020-11-21","23:27:55",""
"4003764","12.2879","0.0017","12.3085","0.0017","12.5397","0.0016","83.826","0.012","61.611","0.014","69.996","0.014","1564.3","0.5","139.7","0.6","139.7","0.6","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1756","0.0964","","","0.2389","0.322","","","","","","0.96","","","","has coordinates,has disorder","259218","2020-11-21","23:27:55",""
"4003765","11.6736","0.0002","12.3309","0.0003","14.1938","0.0002","83.749","0.002","77.675","0.002","89.164","0.002","1984.11","0.07","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0652","0.0534","","","0.1456","0.1571","","","","","","1.166","","","","has coordinates","259219","2020-11-21","23:31:11",""
"4003766","11.6917","0.0003","12.3497","0.0005","14.2037","0.0005","83.777","0.003","77.663","0.003","89.162","0.003","1991.62","0.12","150.02","0.1","150.02","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0523","0.0413","","","0.1056","0.1108","","","","","","1.136","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003767","11.6878","0.0002","12.3526","0.0002","14.21","0.0002","83.784","0.001","77.734","0.001","89.166","0.001","1992.87","0.06","160.02","0.1","160.02","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0512","0.0394","","","0.0956","0.1011","","","","","","1.12","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003768","11.6907","0.0002","12.3565","0.0002","14.2137","0.0002","83.797","0.001","77.746","0.001","89.171","0.001","1994.65","0.06","170.01","0.1","170.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0517","0.0401","","","0.1002","0.1056","","","","","","1.137","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003769","11.6939","0.0002","12.3587","0.0002","14.2174","0.0002","83.805","0.001","77.758","0.001","89.179","0.001","1996.19","0.06","180","0.1","180","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.051","0.0389","","","0.0931","0.0988","","","","","","1.094","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003770","11.7001","0.0003","12.362","0.0004","14.2129","0.0005","83.789","0.003","77.715","0.003","89.167","0.002","1996.77","0.11","190","0.1","190","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0505","0.0375","","","0.0915","0.0972","","","","","","1.097","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003771","11.6999","0.0002","12.3651","0.0003","14.218","0.0004","83.804","0.002","77.743","0.002","89.166","0.002","1998.22","0.08","200","0.1","200","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.051","0.0375","","","0.088","0.0939","","","","","","1.09","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003772","11.7017","0.0002","12.3726","0.0003","14.2247","0.0003","83.817","0.002","77.773","0.002","89.175","0.002","2000.96","0.07","210","0.1","210","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0503","0.0368","","","0.0859","0.0916","","","","","","1.081","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003773","11.7033","0.0002","12.3801","0.0003","14.231","0.0003","83.835","0.002","77.797","0.002","89.187","0.002","2003.58","0.07","220","0.1","220","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0515","0.0377","","","0.0895","0.0956","","","","","","1.084","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003774","11.7027","0.0002","12.3866","0.0002","14.2358","0.0003","83.857","0.002","77.822","0.002","89.194","0.002","2005.48","0.07","230","0.1","230","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0527","0.0379","","","0.0893","0.096","","","","","","1.078","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003775","11.7021","0.0002","12.3965","0.0002","14.2419","0.0002","83.874","0.001","77.849","0.001","89.214","0.001","2008.1","0.06","240.01","0.1","240.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.053","0.0372","","","0.0874","0.0943","","","","","","1.075","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003776","11.6994","0.0002","12.4106","0.0002","14.2475","0.0002","83.89","0.001","77.891","0.001","89.229","0.001","2011.09","0.06","250","0.1","250","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0545","0.0375","","","0.0865","0.094","","","","","","1.062","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003777","11.6921","0.0002","12.4305","0.0002","14.2527","0.0002","83.903","0.001","77.943","0.001","89.252","0.001","2014.22","0.06","260.01","0.1","260.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.058","0.0393","","","0.0914","0.0999","","","","","","1.066","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003778","11.6757","0.0002","12.4664","0.0002","14.2575","0.0002","83.914","0.001","78.033","0.001","89.298","0.001","2018.59","0.06","270.01","0.1","270.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0602","0.0394","","","0.0885","0.0976","","","","","","1.045","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003779","11.6428","0.0002","12.5292","0.0002","14.2611","0.0003","83.927","0.002","78.177","0.002","89.385","0.002","2024.65","0.07","280","0.1","280","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0658","0.0416","","","0.0961","0.1066","","","","","","1.063","","","","has coordinates","259219","2020-11-21","23:31:14",""
"4003780","11.5976","0.0002","12.6154","0.0003","14.2654","0.0003","83.945","0.002","78.391","0.002","89.498","0.002","2032.88","0.08","290.01","0.1","290.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0688","0.0417","","","0.0965","0.1085","","","","","","1.05","","","","has coordinates","259219","2020-11-21","23:31:14",""
"4003781","11.562","0.0002","12.6887","0.0003","14.2701","0.0003","83.971","0.002","78.579","0.002","89.596","0.002","2040.51","0.08","300","0.1","300","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0719","0.0429","","","0.1013","0.1146","","","","","","1.051","","","","has coordinates","259219","2020-11-21","23:31:14",""
"4003782","11.5373","0.0003","12.7433","0.0003","14.2705","0.0003","83.999","0.002","78.729","0.002","89.674","0.002","2046.12","0.09","310.01","0.1","310.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.075","0.0442","","","0.1026","0.1166","","","","","","1.057","","","","has coordinates","259219","2020-11-21","23:31:14",""
"4003783","11.5254","0.0003","12.7852","0.0004","14.2685","0.0004","84.017","0.002","78.849","0.002","89.744","0.002","2051.33","0.1","320.01","0.1","320.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0782","0.046","","","0.1099","0.1244","","","","","","1.062","","","","has coordinates","259219","2020-11-21","23:31:14",""
"4003784","11.5439","0.0003","12.7502","0.0003","14.2529","0.0003","83.958","0.002","78.729","0.002","89.701","0.002","2045.7","0.09","310","0.1","310","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.077","0.0453","","","0.1081","0.1224","","","","","","1.05","","","","has coordinates","259219","2020-11-21","23:31:14",""
"4003785","11.5679","0.0002","12.7029","0.0003","14.2437","0.0003","83.908","0.002","78.585","0.002","89.64","0.002","2039.83","0.08","300","0.1","300","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0758","0.0448","","","0.1043","0.1184","","","","","","1.055","","","","has coordinates","259219","2020-11-21","23:31:14",""
"4003786","11.5982","0.0002","12.6415","0.0003","14.2355","0.0003","83.865","0.002","78.413","0.002","89.553","0.002","2032.74","0.08","290","0.1","290","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0735","0.0437","","","0.0994","0.1132","","","","","","1.047","","","","has coordinates","259219","2020-11-21","23:31:15",""
"4003787","11.6391","0.0002","12.5643","0.0003","14.2317","0.0003","83.826","0.002","78.216","0.002","89.45","0.002","2025.36","0.08","280.01","0.1","280.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.071","0.0438","","","0.104","0.1159","","","","","","1.067","","","","has coordinates","259219","2020-11-21","23:31:16",""
"4003788","11.6762","0.0002","12.4922","0.0003","14.2264","0.0003","83.8","0.002","78.037","0.002","89.354","0.002","2018.01","0.08","270.01","0.1","270.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0674","0.0432","","","0.0972","0.1082","","","","","","1.055","","","","has coordinates","259219","2020-11-21","23:31:16",""
"4003789","11.6997","0.0002","12.4486","0.0002","14.2237","0.0002","83.782","0.002","77.92","0.001","89.294","0.002","2013.7","0.06","260.01","0.1","260.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0626","0.0415","","","0.0961","0.1054","","","","","","1.062","","","","has coordinates","259219","2020-11-21","23:31:16",""
"4003790","11.7098","0.0002","12.4204","0.0002","14.2165","0.0002","83.764","0.001","77.851","0.001","89.256","0.001","2009.28","0.06","250.01","0.1","250.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0587","0.04","","","0.0941","0.1025","","","","","","1.07","","","","has coordinates","259219","2020-11-21","23:31:16",""
"4003791","11.7164","0.0002","12.4037","0.0002","14.2131","0.0002","83.747","0.002","77.801","0.001","89.237","0.001","2006.79","0.06","240.01","0.1","240.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monhydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0584","0.0403","","","0.0924","0.1007","","","","","","1.055","","","","has coordinates","259219","2020-11-21","23:31:16",""
"4003792","11.718","0.0002","12.3915","0.0002","14.2067","0.0002","83.726","0.002","77.765","0.001","89.217","0.001","2003.84","0.06","230.01","0.1","230.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0562","0.0399","","","0.0938","0.1014","","","","","","1.073","","","","has coordinates","259219","2020-11-21","23:31:16",""
"4003793","11.7185","0.0002","12.3826","0.0002","14.202","0.0003","83.71","0.002","77.74","0.001","89.207","0.001","2001.57","0.06","220.03","0.1","220.03","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0554","0.0395","","","0.0909","0.0983","","","","","","1.051","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003794","11.7178","0.0002","12.3746","0.0003","14.1962","0.0003","83.69","0.002","77.715","0.002","89.197","0.002","1999.08","0.07","210.04","0.1","210.04","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0541","0.0393","","","0.0923","0.0993","","","","","","1.06","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003795","11.7149","0.0002","12.3629","0.0003","14.1853","0.0003","83.659","0.002","77.669","0.002","89.187","0.002","1994.69","0.07","189.99","0.14","189.99","0.14","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0535","0.0397","","","0.093","0.0985","","","","","","1.089","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003796","11.7137","0.0002","12.3595","0.0003","14.1815","0.0004","83.639","0.002","77.645","0.002","89.186","0.002","1993.14","0.08","180","0.13","180","0.13","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0535","0.0403","","","0.0927","0.0987","","","","","","1.072","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003797","11.7115","0.0002","12.3568","0.0003","14.1773","0.0004","83.625","0.002","77.629","0.002","89.185","0.002","1991.56","0.08","169.9","0.2","169.9","0.2","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0541","0.0413","","","0.0987","0.1044","","","","","","1.092","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003798","11.7056","0.0002","12.353","0.0002","14.1782","0.0002","83.631","0.001","77.643","0.001","89.19","0.001","1990.2","0.06","159.9","0.2","159.9","0.2","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0548","0.0419","","","0.1023","0.1083","","","","","","1.103","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003799","11.7168","0.0002","12.3682","0.0003","14.1905","0.0003","83.674","0.002","77.687","0.002","89.189","0.002","1996.8","0.07","200","0.16","200","0.16","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0552","0.0411","","","0.099","0.1056","","","","","","1.076","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003800","11.7015","0.0002","12.3484","0.0002","14.1728","0.0002","83.609","0.001","77.633","0.001","89.177","0.001","1987.85","0.06","149.88","0.19","149.88","0.19","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0545","0.0423","","","0.1029","0.1091","","","","","","1.1","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003801","11.534","0.0005","12.8567","0.0008","14.2396","0.0007","84.058","0.005","79.041","0.004","89.894","0.004","2061.59","0.19","350.01","0.1","350.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0991","0.0591","","","0.1752","0.2003","","","","","","1.074","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003802","11.6372","0.0005","12.899","0.0005","14.1483","0.0005","95.834","0.003","101.001","0.003","90.133","0.003","2073.44","0.14","400.01","0.1","400.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1145","0.0534","","","0.1406","0.1699","","","","","","1.024","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003803","11.7221","0.0005","12.9457","0.0006","14.1334","0.0006","95.581","0.004","101.025","0.004","90.249","0.004","2094.61","0.16","450.01","0.1","450.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1341","0.0555","","","0.1466","0.1843","","","","","","1.002","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003804","11.6686","0.0003","12.8789","0.0004","14.0665","0.0004","95.911","0.002","101.141","0.002","90.143","0.002","2062.49","0.1","400","0.1","400","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1108","0.0525","","","0.1323","0.1571","","","","","","1.027","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003805","11.6647","0.0003","12.8722","0.0004","14.0602","0.0004","95.972","0.002","101.158","0.002","90.117","0.002","2059.46","0.1","390","0.1","390","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1066","0.0512","","","0.1264","0.1505","","","","","","1.029","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003806","11.6601","0.0003","12.8615","0.0004","14.0508","0.0004","96.029","0.002","101.193","0.002","90.096","0.002","2055.11","0.1","380","0.1","380","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1037","0.0506","","","0.1187","0.1419","","","","","","1.019","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003807","11.6559","0.0003","12.8494","0.0003","14.0438","0.0004","96.092","0.002","101.225","0.002","90.081","0.002","2050.95","0.09","370","0.1","370","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0996","0.0504","","","0.1207","0.142","","","","","","1.029","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003808","11.6469","0.0005","12.8411","0.0007","14.0342","0.0007","96.202","0.004","101.213","0.004","90.065","0.004","2046.3","0.18","359.99","0.1","359.99","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0962","0.0496","","","0.1164","0.1365","","","","","","1.029","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003809","11.6474","0.0004","12.8314","0.0005","14.0304","0.0005","96.258","0.003","101.278","0.003","90.033","0.003","2043.62","0.13","350","0.1","350","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0923","0.0479","","","0.1122","0.1319","","","","","","1.023","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003810","11.6467","0.0004","12.8175","0.0004","14.0231","0.0005","96.319","0.003","101.329","0.003","90.006","0.003","2039.62","0.12","340","0.1","340","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0903","0.0482","","","0.1135","0.1326","","","","","","1.034","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003811","11.6488","0.0003","12.8048","0.0004","14.0189","0.0004","83.614","0.002","78.612","0.002","89.988","0.002","2036.67","0.1","330","0.1","330","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0862","0.0466","","","0.1102","0.127","","","","","","1.043","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003812","11.6512","0.0003","12.789","0.0003","14.0131","0.0004","83.548","0.002","78.554","0.002","89.954","0.002","2033.07","0.09","320","0.1","320","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0836","0.047","","","0.1055","0.1213","","","","","","1.027","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003813","11.6531","0.0003","12.7689","0.0003","14.0057","0.0004","83.472","0.002","78.494","0.002","89.925","0.002","2028.4","0.09","310","0.1","310","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0811","0.046","","","0.1054","0.1209","","","","","","1.031","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003814","11.6613","0.0003","12.7484","0.0003","14.0028","0.0003","83.395","0.002","78.415","0.002","89.886","0.002","2025.28","0.08","300","0.1","300","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0778","0.0459","","","0.1072","0.1217","","","","","","1.035","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003815","11.6729","0.0003","12.7207","0.0003","14.0001","0.0003","83.32","0.002","78.317","0.002","89.839","0.002","2021.49","0.08","290","0.1","290","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0761","0.0456","","","0.1051","0.1181","","","","","","1.043","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003816","11.6911","0.0003","12.6824","0.0003","13.9985","0.0003","83.239","0.002","78.203","0.002","89.788","0.002","2017.16","0.08","280.01","0.1","280.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0738","0.0444","","","0.1042","0.118","","","","","","1.041","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003817","11.7141","0.0003","12.63","0.0003","13.9981","0.0003","83.158","0.002","78.045","0.002","89.715","0.002","2011.24","0.08","270","0.1","270","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0717","0.0438","","","0.0996","0.1121","","","","","","1.041","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003818","11.7448","0.0003","12.5681","0.0003","14.0004","0.0003","83.083","0.002","77.873","0.002","89.62","0.002","2005.4","0.08","260.01","0.1","260.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0674","0.0416","","","0.0924","0.1034","","","","","","1.051","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003819","11.7827","0.0003","12.4928","0.0003","14.0077","0.0003","83.019","0.002","77.674","0.002","89.496","0.002","1999.14","0.08","250.01","0.1","250.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0662","0.0423","","","0.0975","0.1084","","","","","","1.045","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003820","11.8079","0.0003","12.4299","0.0003","14.0076","0.0003","82.972","0.002","77.514","0.002","89.39","0.002","1991.94","0.08","240.01","0.1","240.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0631","0.0419","","","0.0973","0.1072","","","","","","1.056","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003821","11.8205","0.0003","12.3982","0.0003","14.0057","0.0003","82.929","0.002","77.425","0.002","89.331","0.002","1987.86","0.08","230.02","0.1","230.02","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.059","0.0406","","","0.0943","0.1031","","","","","","1.053","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003822","11.8276","0.0003","12.3812","0.0003","14.0032","0.0003","82.891","0.002","77.369","0.002","89.299","0.002","1985.38","0.08","220.03","0.1","220.03","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0572","0.0398","","","0.0942","0.1022","","","","","","1.072","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003823","11.8305","0.0002","12.3683","0.0003","13.9991","0.0003","82.858","0.002","77.321","0.002","89.276","0.002","1982.71","0.07","210.04","0.11","210.04","0.11","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0574","0.0409","","","0.1048","0.1135","","","","","","1.119","","","","has coordinates","259219","2020-11-21","23:31:20",""
"4003824","11.8322","0.0002","12.3594","0.0003","13.9949","0.0003","82.826","0.002","77.284","0.002","89.26","0.002","1980.55","0.07","200.04","0.1","200.04","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0554","0.0401","","","0.0966","0.1044","","","","","","1.08","","","","has coordinates","259219","2020-11-21","23:31:20",""
"4003825","11.8326","0.0002","12.3511","0.0003","13.991","0.0003","82.79","0.002","77.247","0.002","89.251","0.002","1978.29","0.07","189.99","0.14","189.99","0.14","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0542","0.0395","","","0.094","0.1007","","","","","","1.086","","","","has coordinates","259219","2020-11-21","23:31:21",""
"4003826","11.8332","0.0002","12.3448","0.0003","13.9874","0.0003","82.753","0.002","77.209","0.002","89.246","0.002","1976.41","0.07","179.98","0.16","179.98","0.16","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0556","0.0414","","","0.1033","0.1102","","","","","","1.109","","","","has coordinates","259219","2020-11-21","23:31:21",""
"4003827","11.8317","0.0003","12.3456","0.0004","13.9916","0.0005","82.774","0.003","77.228","0.003","89.277","0.002","1977.1","0.11","169.96","0.18","169.96","0.18","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.07","0.0504","","","0.125","0.1352","","","","","","1.078","","","","has coordinates","259219","2020-11-21","23:31:21",""
"4003828","11.832","0.0002","12.3306","0.0004","13.9763","0.0004","82.654","0.002","77.122","0.002","89.231","0.002","1971.24","0.09","149.8","0.3","149.8","0.3","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0586","0.0448","","","0.114","0.1226","","","","","","1.1","","","","has coordinates","259219","2020-11-21","23:31:21",""
"4003829","17.44296","0.00016","6.93532","0.00007","10.32709","0.0001","90","","93.9042","0.0005","90","","1246.39","0.02","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Tetralithium cadmium ditin heptasulfide","","- Cd Li4 S7 Sn2 -","- Cd Li4 S7 Sn2 -","- Cd4 Li16 S28 Sn8 -","4","1","","Zhang, Jian-Han; Stoyko, Stanislav S.; Craig, Andrew J.; Grima, Pedro; Kotchey, Joshua W.; Jang, Joon I.; Aitken, Jennifer A.","Phase Matching, Strong Frequency Doubling, and Outstanding Laser-Induced Damage Threshold in the Biaxial, Quaternary Diamond-like Semiconductor Li4CdSn2S7","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03268","","","0.71073","MoKα","","0.0145","0.0142","","","0.0385","0.0386","","","","","","1.126","","","","has coordinates","259262","2020-11-26","23:23:22",""
"4003830","7.534","0.0003","8.0865","0.0004","13.015","0.0005","101.614","0.004","96.329","0.003","103.651","0.004","744.31","0.06","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Cu2 I3 N4 -","- C7 H15 Cu2 I3 N4 -","- C14 H30 Cu4 I6 N8 -","2","1","","Artem’ev, Alexander V.; Davydova, Maria P.; Hei, Xiuze; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Bagryanskaya, Irina Yu.; Brylev, Konstantin A.; Fedin, Vladimir P.; Chen, Jia-Shiang; Cotlet, Mircea; Li, Jing","Family of Robust and Strongly Luminescent CuI-Based Hybrid Networks Made of Ionic and Dative Bonds","Chemistry of Materials","2020","32","24","10708","10718","10.1021/acs.chemmater.0c03984","","x-ray","0.71073","MoKα","","0.0286","0.0218","","","0.0484","0.0491","","","","","","0.953","","","","has coordinates","260416","2021-01-04","03:07:18",""
"4003831","8.8107","0.0003","11.8934","0.0004","15.5661","0.0006","90","","97.24","0.004","90","","1618.15","0.1","135","2","135","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H19 Cu2 I3 N4 -","- C9 H19 Cu2 I3 N4 -","- C36 H76 Cu8 I12 N16 -","4","1","","Artem’ev, Alexander V.; Davydova, Maria P.; Hei, Xiuze; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Bagryanskaya, Irina Yu.; Brylev, Konstantin A.; Fedin, Vladimir P.; Chen, Jia-Shiang; Cotlet, Mircea; Li, Jing","Family of Robust and Strongly Luminescent CuI-Based Hybrid Networks Made of Ionic and Dative Bonds","Chemistry of Materials","2020","32","24","10708","10718","10.1021/acs.chemmater.0c03984","","x-ray","0.71073","MoKα","","0.0195","0.017","","","0.0309","0.0314","","","","","","1.179","","","","has coordinates","260416","2021-01-04","03:07:21",""
"4003832","8.53445","0.00017","18.4144","0.0004","13.5504","0.0004","90","","93.443","0.002","90","","2125.69","0.09","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 Cu4 I5 N5 -","- C9 H18 Cu4 I5 N5 -","- C36 H72 Cu16 I20 N20 -","4","1","","Artem’ev, Alexander V.; Davydova, Maria P.; Hei, Xiuze; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Bagryanskaya, Irina Yu.; Brylev, Konstantin A.; Fedin, Vladimir P.; Chen, Jia-Shiang; Cotlet, Mircea; Li, Jing","Family of Robust and Strongly Luminescent CuI-Based Hybrid Networks Made of Ionic and Dative Bonds","Chemistry of Materials","2020","32","24","10708","10718","10.1021/acs.chemmater.0c03984","","x-ray","0.71073","MoKα","","0.0339","0.0218","","","0.0305","0.0319","","","","","","0.909","","","","has coordinates","260416","2021-01-04","03:07:21",""
"4003833","5.6326","0.0011","5.6326","0.0011","8.0606","0.0018","90","","90","","120","","221.47","0.08","298","","298","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- O8 P2 Rb3 Yb -","- O7.9998 P2 Rb3 Yb -","- O7.9998 P2 Rb3 Yb -","1","0.0833333","","Guo, Shu; Zhong, Ruidan; Górnicka, Karolina; Klimczuk, Tomasz; Cava, R. J.","Crystal Growth, Structure, and Magnetism of the 2D Spin 1/2 Triangular Lattice Material Rb3Yb(PO4)2","Chemistry of Materials","2020","32","24","10670","10677","10.1021/acs.chemmater.0c03850","","","0.71073","MoKα","","0.0194","0.0182","","","0.0454","0.0458","","","","","","1.173","","","","has coordinates,has disorder","260417","2021-01-04","03:07:28",""
"4003834","10.392","0.002","11.488","0.002","10.99","0.002","90","","107.422","0.007","90","","1251.8","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 F3 K N O3 S -","- C7 H13 F3 K N O3 S -","- C28 H52 F12 K4 N4 O12 S4 -","4","1","","Schkeryantz, Luke A.; Zheng, Jingfeng; McCulloch, William D.; Qin, Lei; Zhang, Songwei; Moore, Curtis E.; Wu, Yiying","Designing Potassium Battery Salts through a Solvent-in-Anion Concept for Concentrated Electrolytes and Mimicking Solvation Structures","Chemistry of Materials","2020","32","24","10423","10434","10.1021/acs.chemmater.0c02983","","x-ray","0.71073","MoKα","","0.1583","0.0814","","","0.1689","0.1983","","","","","","1.035","","","","has coordinates","260418","2021-01-04","03:07:43",""
"4003835","18.2533","0.0014","32.815","0.003","32.965","0.003","90","","90","","90","","19745","3","100","","100","","","","","","","","","8","F d d d :2","-F 2uv 2vw","70","","","","- C7.25 H11.5 Cl0.5 F3 K N O3 S -","- C7.25 H11.5 Cl0.5 F3 K N O3 S -","- C464 H736 Cl32 F192 K64 N64 O192 S64 -","64","2","","Schkeryantz, Luke A.; Zheng, Jingfeng; McCulloch, William D.; Qin, Lei; Zhang, Songwei; Moore, Curtis E.; Wu, Yiying","Designing Potassium Battery Salts through a Solvent-in-Anion Concept for Concentrated Electrolytes and Mimicking Solvation Structures","Chemistry of Materials","2020","32","24","10423","10434","10.1021/acs.chemmater.0c02983","","","0.71073","MoKα","","0.0639","0.0392","","","0.094","0.1061","","","","","","1.047","","","","has coordinates,has disorder","260418","2021-01-04","03:07:43",""
"4003836","10.2695","0.0006","10.8187","0.0006","14.2434","0.0009","87.874","0.002","74.624","0.002","86.247","0.002","1522.24","0.16","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C5 H9 F3 K N O3 S -","- C5 H9 F3 K N O3 S -","- C30 H54 F18 K6 N6 O18 S6 -","6","3","","Schkeryantz, Luke A.; Zheng, Jingfeng; McCulloch, William D.; Qin, Lei; Zhang, Songwei; Moore, Curtis E.; Wu, Yiying","Designing Potassium Battery Salts through a Solvent-in-Anion Concept for Concentrated Electrolytes and Mimicking Solvation Structures","Chemistry of Materials","2020","32","24","10423","10434","10.1021/acs.chemmater.0c02983","","x-ray","0.71073","MoKα","","0.0277","0.0218","","","0.0508","0.0542","","","","","","1.029","","","","has coordinates","260418","2021-01-04","03:07:43",""
"4003837","6.4411","0.0006","8.8961","0.001","11.4897","0.0012","87.753","0.004","73.755","0.003","81.989","0.003","625.91","0.11","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C7 H13 F3 K N O4 S -","- C7 H13 F3 K N O4 S -","- C14 H26 F6 K2 N2 O8 S2 -","2","1","","Schkeryantz, Luke A.; Zheng, Jingfeng; McCulloch, William D.; Qin, Lei; Zhang, Songwei; Moore, Curtis E.; Wu, Yiying","Designing Potassium Battery Salts through a Solvent-in-Anion Concept for Concentrated Electrolytes and Mimicking Solvation Structures","Chemistry of Materials","2020","32","24","10423","10434","10.1021/acs.chemmater.0c02983","","","0.71073","MoKα","","0.0281","0.0258","","","0.0608","0.0614","","","","","","1.074","","","","has coordinates","260418","2021-01-04","03:07:43",""
"4003838","7.344","0.0005","7.7957","0.0005","9.1286","0.0006","96.33","0.002","90.086","0.002","95.585","0.002","516.94","0.06","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C5 H9 F3 K N O4 S -","- C5 H9 F3 K N O4 S -","- C10 H18 F6 K2 N2 O8 S2 -","2","1","","Schkeryantz, Luke A.; Zheng, Jingfeng; McCulloch, William D.; Qin, Lei; Zhang, Songwei; Moore, Curtis E.; Wu, Yiying","Designing Potassium Battery Salts through a Solvent-in-Anion Concept for Concentrated Electrolytes and Mimicking Solvation Structures","Chemistry of Materials","2020","32","24","10423","10434","10.1021/acs.chemmater.0c02983","","x-ray","0.71073","MoKα","","0.0276","0.0221","","","0.0508","0.0548","","","","","","1.115","","","","has coordinates","260418","2021-01-04","03:07:43",""
"4003839","10.519","0.0012","17.848","0.002","11.6429","0.0013","90","","94.87","0.001","90","","2178","0.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2.67 H2.89 N0.22 O0.22 S0.22 -","- C2.66667 H2.88889 N0.222222 O0.222222 S0.222222 -","- C96 H104 N8 O8 S8 -","36","9","","Zhang, Bingjie; Zhang, Yueyan; Yang, Xiaodong; Li, Guoping; Zhang, Sikun; Zhang, Yanfeng; Yu, Demei; Liu, Zishun; He, Gang","Isometric Thionated Naphthalene Diimides As Organic Cathodes for High Capacity Lithium Batteries","Chemistry of Materials","2020","32","24","10575","10583","10.1021/acs.chemmater.0c03661","","","0.71073","MoKα","","0.0464","0.0379","","","0.1016","0.1083","","","","","","1.03","","","","has coordinates","260419","2021-01-04","03:07:56",""
"4003840","9.90381","0.00009","9.90381","0.00009","7.44188","0.00009","90","","90","","120","","632.147","0.011","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","","","- F0.9 H0.1 Mn3 O12.1 Sr5 -","- F0.9 H0.102 Mn3 O12.102 Sr5 -","- F1.8 H0.204 Mn6 O24.204 Sr10 -","2","0.166667","","Varela, Aurea; Gómez-Recio, Isabel; Serrador, Laura; Hernando, María; Matesanz, Emilio; Torres-Pardo, Almudena; Fernández-Díaz, María Teresa; Martínez, Jose L.; Gonell, Francisco; Rousse, Gwenaelle; Sanchez, Clément; Laberty-Robert, Christel; Portehault, David; González-Calbet, José M.; Parras, Marina","Hydroxyapatites as Versatile Inorganic Hosts of Unusual Pentavalent Manganese Cations","Chemistry of Materials","2020","32","24","10584","10593","10.1021/acs.chemmater.0c03673","powder diffraction","","1.594","neutron","","","","","","","","","2.041","2.2","","","","","","","has coordinates","260420","2021-01-04","03:08:07",""
"4003841","9.90213","0.00011","9.90213","0.00011","7.44471","0.0001","90","","90","","120","","632.173","0.013","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","","","- F0.83 Mn2.826 O12 Si0.174 Sr5 -","- F0.825 Mn2.826 O12 Si0.174 Sr5 -","- F1.65 Mn5.652 O24 Si0.348 Sr10 -","2","0.166667","","Varela, Aurea; Gómez-Recio, Isabel; Serrador, Laura; Hernando, María; Matesanz, Emilio; Torres-Pardo, Almudena; Fernández-Díaz, María Teresa; Martínez, Jose L.; Gonell, Francisco; Rousse, Gwenaelle; Sanchez, Clément; Laberty-Robert, Christel; Portehault, David; González-Calbet, José M.; Parras, Marina","Hydroxyapatites as Versatile Inorganic Hosts of Unusual Pentavalent Manganese Cations","Chemistry of Materials","2020","32","24","10584","10593","10.1021/acs.chemmater.0c03673","powder diffraction","","1.594","neutron","","","","","","","","","2.3994","2","","","","","","","has coordinates","260420","2021-01-04","03:08:12",""
"4003842","9.95283","0.00009","9.95283","0.00009","7.45254","0.00009","90","","90","","120","","639.334","0.011","300","","300","","","","","","","","","4","P 63/m","-P 6c","176","","","","- H Mn3 O13 Sr5 -","- H Mn3 O13 Sr5 -","- H2 Mn6 O26 Sr10 -","2","0.166667","","Varela, Aurea; Gómez-Recio, Isabel; Serrador, Laura; Hernando, María; Matesanz, Emilio; Torres-Pardo, Almudena; Fernández-Díaz, María Teresa; Martínez, Jose L.; Gonell, Francisco; Rousse, Gwenaelle; Sanchez, Clément; Laberty-Robert, Christel; Portehault, David; González-Calbet, José M.; Parras, Marina","Hydroxyapatites as Versatile Inorganic Hosts of Unusual Pentavalent Manganese Cations","Chemistry of Materials","2020","32","24","10584","10593","10.1021/acs.chemmater.0c03673","powder diffraction","","1.594","neutron","","","","","","","","","2.9519","2","","","","","","","has coordinates","260420","2021-01-04","03:08:15",""
"4003843","9.9572","0.00016","9.9572","0.00016","7.44779","0.00016","90","","90","","120","","639.49","0.02","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","","","- H0.84 Mn2.841 O12.84 Si0.159 Sr5 -","- H0.842 Mn2.841 O12.842 Si0.159 Sr5 -","- H1.684 Mn5.682 O25.684 Si0.318 Sr10 -","2","0.166667","","Varela, Aurea; Gómez-Recio, Isabel; Serrador, Laura; Hernando, María; Matesanz, Emilio; Torres-Pardo, Almudena; Fernández-Díaz, María Teresa; Martínez, Jose L.; Gonell, Francisco; Rousse, Gwenaelle; Sanchez, Clément; Laberty-Robert, Christel; Portehault, David; González-Calbet, José M.; Parras, Marina","Hydroxyapatites as Versatile Inorganic Hosts of Unusual Pentavalent Manganese Cations","Chemistry of Materials","2020","32","24","10584","10593","10.1021/acs.chemmater.0c03673","powder diffraction","","1.594","neutron","","","","","","","","","2.731","1.6","","","","","","","has coordinates","260420","2021-01-04","03:08:15",""
"4003844","22.301","0.003","37.511","0.005","27.083","0.005","90","","104.789","0.016","90","","21905","6","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C116 H93 F4 N4 O2 S4 -","- C116 H93 F4 N4 O2 S4 -","- C928 H744 F32 N32 O16 S32 -","8","2","","Jia, Boyu; Li, Mengyang; Zhou, Jiadong; Xiao, Yiqun; Zhang, Shenghan; Wang, Jiayu; Lu, Xinhui; Xie, Zengqi; Tang, Zheng; Zhan, Xiaowei","Isomeric Effect in Unidirectionally Extended Fused-Ring Electron Acceptors","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c04318","","x-ray","1.54184","CuKα","","0.2159","0.1204","","","0.325","0.391","","","","","","1.018","","","","has coordinates","260205","2020-12-29","23:31:25",""
"4003845","10.7771","0.0014","18.5061","0.0015","26.1941","0.0018","77.309","0.007","88.059","0.008","90.002","0.008","5093.5","0.9","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C121 H112 F4 N4 O2 S4 -","- C121 H112 F4 N4 O2 S4 -","- C242 H224 F8 N8 O4 S8 -","2","1","","Jia, Boyu; Li, Mengyang; Zhou, Jiadong; Xiao, Yiqun; Zhang, Shenghan; Wang, Jiayu; Lu, Xinhui; Xie, Zengqi; Tang, Zheng; Zhan, Xiaowei","Isomeric Effect in Unidirectionally Extended Fused-Ring Electron Acceptors","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c04318","","x-ray","1.54184","CuKα","","0.255","0.1558","","","0.4464","0.526","","","","","","1.221","","","","has coordinates,has disorder","260205","2020-12-29","23:31:30",""
"4003846","14.47","0.0005","19.616","0.0006","35.4927","0.0009","90","","92.58","0.003","90","","10064.2","0.5","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C121 H112 F4 N4 O2 S4 -","- C121 H112 F4 N4 O2 S4 -","- C484 H448 F16 N16 O8 S16 -","4","1","","Jia, Boyu; Li, Mengyang; Zhou, Jiadong; Xiao, Yiqun; Zhang, Shenghan; Wang, Jiayu; Lu, Xinhui; Xie, Zengqi; Tang, Zheng; Zhan, Xiaowei","Isomeric Effect in Unidirectionally Extended Fused-Ring Electron Acceptors","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c04318","","x-ray","1.54184","CuKα","","0.1474","0.0952","","","0.254","0.289","","","","","","1.022","","","","has coordinates,has disorder","260205","2020-12-29","23:31:30",""
"4003847","26.85534","0.00017","26.85534","0.00017","26.85534","0.00017","90","","90","","90","","19368.3","0.2","90","","90","","","","101","","activated at 473 K for 10 min, and cooled to 90 K","","synthetic","4","F m -3 m","-F 4 2 3","225","UiO-67","Zr(IV) biphenyl dicarboxylate metal-organic framework","","- C81.48 H50.56 O36.16 Zr6 -","- C81.48 H50.56 O36.16 Zr6 -","- C325.92 H202.24 O144.64 Zr24 -","4","0.0208333","","Goodenough, Isabella; Devulapalli, Venkata Swaroopa Datta; Xu, Wenqian; Boyanich, Mikaela C.; Luo, Tian-Yi; De Souza, Mattheus; Richard, Mélissandre; Rosi, Nathaniel L.; Borguet, Eric","Interplay between Intrinsic Thermal Stability and Expansion Properties of Functionalized UiO-67 Metal‒Organic Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03889","powder diffraction","x-ray","0.35364","","","","","","","","","","0.0316","5.909","","","","","","","has coordinates","260302","2020-12-31","23:25:27",""
"4003848","26.818","0.0002","26.818","0.0002","26.818","0.0002","90","","90","","90","","19287.6","0.2","480","","480","","","","101","","activated at 473 K for 10 min, and cooled to 90 K, then stepwisely heated to 480 K","","synthetic","4","F m -3 m","-F 4 2 3","225","UiO-67","Zr(IV) biphenyl dicarboxylate metal-organic framework","","- C81.48 H50.56 O36.16 Zr6 -","- C81.48 H50.56 O36.16 Zr6 -","- C325.92 H202.24 O144.64 Zr24 -","4","0.0208333","","Goodenough, Isabella; Devulapalli, Venkata Swaroopa Datta; Xu, Wenqian; Boyanich, Mikaela C.; Luo, Tian-Yi; De Souza, Mattheus; Richard, Mélissandre; Rosi, Nathaniel L.; Borguet, Eric","Interplay between Intrinsic Thermal Stability and Expansion Properties of Functionalized UiO-67 Metal‒Organic Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03889","powder diffraction","x-ray","0.35364","","","","","","","","","","0.0341","6.232","","","","","","","has coordinates","260302","2020-12-31","23:25:29",""
"4003849","26.784","0.0005","26.784","0.0005","26.784","0.0005","90","","90","","90","","19214.4","0.6","90","","90","","","","101","","activated at 473 K for 10 min, and cooled to 90 K","","synthetic","5","F m -3 m","-F 4 2 3","225","UiO-67-NH2","Zr(IV) 2-Amino-4,4'-biphenyldicarboxylate metal-organic framework","","- C78.12 H43.06 N5.58 O40 Zr6 -","- C78.12 H43.06 N5.58 O40 Zr6 -","- C312.48 H172.24 N22.32 O160 Zr24 -","4","0.0208333","","Goodenough, Isabella; Devulapalli, Venkata Swaroopa Datta; Xu, Wenqian; Boyanich, Mikaela C.; Luo, Tian-Yi; De Souza, Mattheus; Richard, Mélissandre; Rosi, Nathaniel L.; Borguet, Eric","Interplay between Intrinsic Thermal Stability and Expansion Properties of Functionalized UiO-67 Metal‒Organic Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03889","powder diffraction","x-ray","0.35364","","","","","","","","","","0.054","9.322","","","","","","","has coordinates","260302","2020-12-31","23:25:29",""
"4003850","26.7196","0.0005","26.7196","0.0005","26.7196","0.0005","90","","90","","90","","19076.1","0.6","480","","480","","","","101","","activated at 473 K for 10 min, and cooled to 90 K, then stepwisely heated to 480 K","","synthetic","5","F m -3 m","-F 4 2 3","225","UiO-67-NH2","Zr(IV) 2-Amino-4,4'-biphenyldicarboxylate metal-organic framework","","- C78.12 H43.06 N5.58 O40 Zr6 -","- C78.12 H43.06 N5.58 O40 Zr6 -","- C312.48 H172.24 N22.32 O160 Zr24 -","4","0.0208333","","Goodenough, Isabella; Devulapalli, Venkata Swaroopa Datta; Xu, Wenqian; Boyanich, Mikaela C.; Luo, Tian-Yi; De Souza, Mattheus; Richard, Mélissandre; Rosi, Nathaniel L.; Borguet, Eric","Interplay between Intrinsic Thermal Stability and Expansion Properties of Functionalized UiO-67 Metal‒Organic Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03889","powder diffraction","x-ray","0.35364","","","","","","","","","","0.057","9.608","","","","","","","has coordinates","260302","2020-12-31","23:25:29",""
"4003851","26.7734","0.0002","26.7734","0.0002","26.7734","0.0002","90","","90","","90","","19191.6","0.2","298","","298","","","","101","","no activation","","synthetic","4","F m -3 m","-F 4 2 3","225","UiO-67","Zr(IV) biphenyl dicarboxylate metal-organic framework","","- C81.48 H46.56 O61.92 Zr6 -","- C81.48 H46.56 O61.92 Zr6 -","- C325.92 H186.24 O247.68 Zr24 -","4","0.0208333","","Goodenough, Isabella; Devulapalli, Venkata Swaroopa Datta; Xu, Wenqian; Boyanich, Mikaela C.; Luo, Tian-Yi; De Souza, Mattheus; Richard, Mélissandre; Rosi, Nathaniel L.; Borguet, Eric","Interplay between Intrinsic Thermal Stability and Expansion Properties of Functionalized UiO-67 Metal‒Organic Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03889","powder diffraction","x-ray","0.35364","","","","","","","","","","0.0406","1.525","","","","","","","has coordinates","260302","2020-12-31","23:25:29",""
"4003852","26.5695","0.0003","26.5695","0.0003","26.5695","0.0003","90","","90","","90","","18756.4","0.4","580","","580","","","","101","","no activation, heated from room temperaure to 580 K directly","","synthetic","4","F m -3 m","-F 4 2 3","225","UiO-67","Zr(IV) biphenyl dicarboxylate metal-organic framework","","- C81.48 H46.56 O30.22 Zr6 -","- C81.48 H46.56 O30.224 Zr6 -","- C325.92 H186.24 O120.896 Zr24 -","4","0.0208333","","Goodenough, Isabella; Devulapalli, Venkata Swaroopa Datta; Xu, Wenqian; Boyanich, Mikaela C.; Luo, Tian-Yi; De Souza, Mattheus; Richard, Mélissandre; Rosi, Nathaniel L.; Borguet, Eric","Interplay between Intrinsic Thermal Stability and Expansion Properties of Functionalized UiO-67 Metal‒Organic Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03889","powder diffraction","x-ray","0.35364","","","","","","","","","","0.0417","1.481","","","","","","","has coordinates","260302","2020-12-31","23:25:29",""
"4037628","12.6965","0.0013","17.3542","0.0018","19.577","0.002","78.42","0.003","87.087","0.003","80.742","0.003","4169.9","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H105.5 Cl1.5 N8 Si4 -","- C91 H105.5 Cl1.5 N8 Si4 -","- C182 H211 Cl3 N16 Si8 -","2","1","","Zhao, Kexiang; Long, Guankui; Liu, Wenbo; Li, Dong-Sheng; Gao, Weibo; Zhang, Qichun","U-Shaped Helical Azaarenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2020","85","1","291","295","10.1021/acs.joc.9b02895","","","0.71073","MoKα","","0.191","0.1222","","","0.3172","0.3785","","","","","","1.026","","","","has coordinates,has disorder","246575","2020-10-21","18:00:00",""
"4037629","15.2399","0.0007","16.3922","0.0009","17.7725","0.001","101.974","0.0018","113.986","0.0015","106.368","0.0015","3619.9","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H98 N4 Si4 -","- C78 H98 N4 Si4 -","- C156 H196 N8 Si8 -","2","1","","Zhao, Kexiang; Long, Guankui; Liu, Wenbo; Li, Dong-Sheng; Gao, Weibo; Zhang, Qichun","U-Shaped Helical Azaarenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2020","85","1","291","295","10.1021/acs.joc.9b02895","","","0.71073","MoKα","","0.1012","0.0629","","","0.155","0.1807","","","","","","1.028","","","","has coordinates","246575","2020-10-21","18:00:00",""
"4037630","12.4305","0.0009","25.215","0.002","21.1193","0.0019","90","","93.47","0.003","90","","6607.4","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H94 N4 Si4 -","- C70 H94 N4 Si4 -","- C280 H376 N16 Si16 -","4","1","","Zhao, Kexiang; Long, Guankui; Liu, Wenbo; Li, Dong-Sheng; Gao, Weibo; Zhang, Qichun","U-Shaped Helical Azaarenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2020","85","1","291","295","10.1021/acs.joc.9b02895","","","0.71073","MoKα","","0.1802","0.0836","","","0.1983","0.2565","","","","","","1.023","","","","has coordinates,has disorder","246575","2020-10-21","18:00:00",""
"4037717","13.575","0.0007","20.2391","0.0011","20.8569","0.0011","90","","90.607","0.002","90","","5730","0.5","120","2","120","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C143 H121 Cl2 O13 -","- C143 H121 Cl2 O13 -","- C286 H242 Cl4 O26 -","2","1","","Nejedlý, Jindřich; Šámal, Michal; Rybáček, Jiří; Sánchez, Isabel Gay; Houska, Václav; Warzecha, Tomáš; Vacek, Jaroslav; Sieger, Ladislav; Buděšínský, Miloš; Bednárová, Lucie; Fiedler, Pavel; Císařová, Ivana; Starý, Ivo; Stará, Irena G","Synthesis of Racemic, Diastereopure, and Enantiopure Carba- or Oxa[5]-, [6]-, [7]-, and -[19]helicene (Di)thiol Derivatives.","The Journal of organic chemistry","2020","85","1","248","276","10.1021/acs.joc.9b02965","","","1.54178","CuKα","","0.0454","0.0433","","","0.1199","0.1221","","","","","","1.027","","","","has coordinates","246576","2020-10-21","18:00:00",""
"4037718","21.4937","0.0008","9.3227","0.0004","21.3572","0.0009","90","","104.637","0.002","90","","4140.7","0.3","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 O2 S2 -","- C26 H18 O2 S2 -","- C208 H144 O16 S16 -","8","2","","Nejedlý, Jindřich; Šámal, Michal; Rybáček, Jiří; Sánchez, Isabel Gay; Houska, Václav; Warzecha, Tomáš; Vacek, Jaroslav; Sieger, Ladislav; Buděšínský, Miloš; Bednárová, Lucie; Fiedler, Pavel; Císařová, Ivana; Starý, Ivo; Stará, Irena G","Synthesis of Racemic, Diastereopure, and Enantiopure Carba- or Oxa[5]-, [6]-, [7]-, and -[19]helicene (Di)thiol Derivatives.","The Journal of organic chemistry","2020","85","1","248","276","10.1021/acs.joc.9b02965","","","0.71073","MoKα","","0.0521","0.038","","","0.0878","0.0935","","","","","","1.027","","","","has coordinates","246576","2020-10-21","18:00:00",""
"4037770","19.1406","0.0004","9.6406","0.0002","11.2647","0.0003","90","","105.952","0.003","90","","1998.6","0.08","123.15","","123.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H7 B Cl2 F8 -","- C22 H7 B Cl2 F8 -","- C88 H28 B4 Cl8 F32 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Kawakita, Takahiro; Kinoshita, Takuya; Ogoshi, Sensuke","Axial Chirality around N‒P Bonds Induced by Complexation between E(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> (E = B, Al) and an N-Phosphine-Oxide-Substituted Imidazolinylidene: A Key Intermediate in the Catalytic Phosphinoylation of CO<sub>2</sub>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03210","","x-ray","1.54184","CuKα","","0.042","0.0391","","","0.1062","0.1084","","","","","","1.0411","","","","has coordinates","246704","2020-10-21","18:00:00",""
"4037771","10.6793","0.0002","11.2817","0.0002","16.7507","0.0004","86.433","0.002","84.296","0.002","88.897","0.002","2004.08","0.07","123.15","","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C41 H39 B F15 N2 O P -","- C41 H39 B F15 N2 O P -","- C82 H78 B2 F30 N4 O2 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Kawakita, Takahiro; Kinoshita, Takuya; Ogoshi, Sensuke","Axial Chirality around N‒P Bonds Induced by Complexation between E(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> (E = B, Al) and an N-Phosphine-Oxide-Substituted Imidazolinylidene: A Key Intermediate in the Catalytic Phosphinoylation of CO<sub>2</sub>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03210","","x-ray","0.71073","MoKα","","0.0404","0.0336","","","0.0843","0.0879","","","","","","1.0298","","","","has coordinates","246704","2020-10-21","18:00:00",""
"4037772","10.534","0.0003","21.0599","0.0006","20.872","0.0006","90","","95.002","0.002","90","","4612.7","0.2","123.15","","123.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H41 B Cl2 F15 N2 O3 P -","- C43 H41 B Cl2 F15 N2 O3 P -","- C172 H164 B4 Cl8 F60 N8 O12 P4 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Kawakita, Takahiro; Kinoshita, Takuya; Ogoshi, Sensuke","Axial Chirality around N‒P Bonds Induced by Complexation between E(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> (E = B, Al) and an N-Phosphine-Oxide-Substituted Imidazolinylidene: A Key Intermediate in the Catalytic Phosphinoylation of CO<sub>2</sub>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03210","","x-ray","0.71073","MoKα","","0.0516","0.0397","","","0.0906","0.0951","","","","","","1.0293","","","","has coordinates","246704","2020-10-21","18:00:00",""
"4037773","12.5964","0.0005","21.5652","0.0012","18.5448","0.0009","90","","95.214","0.004","90","","5016.7","0.4","298.15","","298.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H39 B F15 N2 O3 P -","- C42 H39 B F15 N2 O3 P -","- C168 H156 B4 F60 N8 O12 P4 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Kawakita, Takahiro; Kinoshita, Takuya; Ogoshi, Sensuke","Axial Chirality around N‒P Bonds Induced by Complexation between E(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> (E = B, Al) and an N-Phosphine-Oxide-Substituted Imidazolinylidene: A Key Intermediate in the Catalytic Phosphinoylation of CO<sub>2</sub>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03210","","x-ray","1.54184","CuKα","","0.1189","0.0676","","","0.1836","0.2225","","","","","","0.9904","","","","has coordinates,has disorder","246704","2020-10-21","18:00:00",""
"4037774","11.0128","0.0003","12.0642","0.0003","20.6781","0.0006","83.247","0.002","75.607","0.002","66.202","0.003","2434.35","0.13","123.15","","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H47 Al F15 N2 O3 P -","- C49 H47 Al F15 N2 O3 P -","- C98 H94 Al2 F30 N4 O6 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Kawakita, Takahiro; Kinoshita, Takuya; Ogoshi, Sensuke","Axial Chirality around N‒P Bonds Induced by Complexation between E(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> (E = B, Al) and an N-Phosphine-Oxide-Substituted Imidazolinylidene: A Key Intermediate in the Catalytic Phosphinoylation of CO<sub>2</sub>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03210","","x-ray","1.54184","CuKα","","0.0604","0.0557","","","0.1509","0.1544","","","","","","1.0508","","","","has coordinates","246704","2020-10-21","18:00:00",""
"4037786","9.017","0.003","9.923","0.003","21.325","0.008","90","","90","","90","","1908.1","1.1","100","2","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C88 H116 N4 O12 -","4","1","","Liu, Shi; Gellman, Samuel H.","Preparation of β2-Homologous Amino Acids Bearing Polar Side Chains via a Collective Synthesis Strategy","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b02562","","x-ray","0.71073","MoKα","K-L~3~","0.0585","0.0566","","","0.1548","0.1562","","","","","","1.077","","","","has coordinates","246708","2020-10-21","18:00:00",""
"4037792","9.9788","0.0002","12.3213","0.0002","19.5547","0.0004","90","","90","","90","","2404.29","0.08","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C104 H128 N16 O16 -","8","2","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.0518","0.0473","","","0.1276","0.1339","","","","","","1.062","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037793","13.05917","0.00018","6.51103","0.00008","14.0462","0.0002","90","","94.0015","0.0014","90","","1191.42","0.03","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.0422","0.0398","","","0.0999","0.1025","","","","","","1.078","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037794","12.8813","0.0004","9.1977","0.0002","13.198","0.0003","90","","98.139","0.003","90","","1547.93","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 He0.25 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.0558","0.0487","","","0.1281","0.1367","","","","","","1.035","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037795","8.3364","0.0006","8.483","0.0005","10.7484","0.0007","82.823","0.005","86.862","0.005","89.82","0.005","753.01","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N3 O4 -","- C18 H15 N3 O4 -","- C36 H30 N6 O8 -","2","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.0645","0.0476","","","0.126","0.1439","","","","","","1.086","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037796","16.7548","0.00016","7.45702","0.00007","27.245","0.0002","90","","104.133","0.001","90","","3300.98","0.05","100","","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C19 H17 N3 O4 -","- C19 H17 N3 O4 -","- C152 H136 N24 O32 -","8","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.046","0.043","","","0.1119","0.1158","","","","","","1.035","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037797","8.77594","0.00011","10.37922","0.00011","16.1674","0.0002","90","","90","","90","","1472.65","0.03","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.0421","0.0373","","","0.0954","0.0984","","","","","","1.051","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037798","10.7991","0.0005","11.9747","0.0005","19.5546","0.001","90","","90","","90","","2528.7","0.2","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C120 H144 N16 O16 -","8","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.0519","0.0468","","","0.1398","0.1485","","","","","","1.069","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037799","13.0647","0.0013","9.431","0.0012","24.873","0.003","90","","90","","90","","3064.7","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C144 H136 Cl8 N16 O16 -","8","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.152","0.1073","","","0.2708","0.3532","","","","","","1.137","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037800","7.6804","0.0003","9.7291","0.0004","16.249","0.0007","84.504","0.001","88.521","0.001","71.516","0.001","1146.24","0.08","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H14 O6 S2 -","- C22 H14 O6 S2 -","- C44 H28 O12 S4 -","2","1","","Patel, Dinesh G.; Mitchell, Travis B.; Myers, Shea Douglas; Carter, Dorothy A.; Novak, Frank A.","A Suzuki Approach to Quinone Based Diarylethene Photochromes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02632","","","0.71073","MoKα","","0.0347","0.031","","","0.089","0.0922","","","","","","1.046","","","","has coordinates","246783","2020-10-21","18:00:00",""
"4037801","24.614","0.007","11.524","0.003","7.454","0.002","90","","90","","90","","2114.3","1","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H14 O6 S2 -","- C22 H14 O6 S2 -","- C88 H56 O24 S8 -","4","1","","Patel, Dinesh G.; Mitchell, Travis B.; Myers, Shea Douglas; Carter, Dorothy A.; Novak, Frank A.","A Suzuki Approach to Quinone Based Diarylethene Photochromes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02632","","","0.41328","synchrotron","","0.0569","0.0475","","","0.1155","0.1217","","","","","","1.057","","","","has coordinates","246784","2020-10-21","18:00:00",""
"4037807","12.2054","0.0005","28.5826","0.0015","20.7771","0.0011","90","","99.232","0.002","90","","7154.5","0.6","150","2","149.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 I20 N6 -","- C40 H44 I20 N6 -","- C160 H176 I80 N24 -","4","1","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.0673","0.043","","","0.09","0.0997","","","","","","1.012","","","","has coordinates,has disorder","258188","2020-10-21","18:00:00",""
"4037808","23.5982","0.0013","23.5982","0.0013","9.8455","0.0006","90","","90","","90","","5482.7","0.5","200","2","200","","","","","","","","","5","I -4","I -4","82","","","","- C20 H22 Br I2 N3 -","- C20 H22 Br I2 N3 -","- C160 H176 Br8 I16 N24 -","8","1","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.079","0.0542","","","0.1425","0.1553","","","","","","1.074","","","","has coordinates","258188","2020-10-21","18:00:00",""
"4037809","23.9419","0.001","23.9419","0.001","10.1217","0.0003","90","","90","","90","","5801.9","0.4","200","2","200","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C20 H22 I3 N3 -","- C20 H22 I3 N3 -","- C160 H176 I24 N24 -","8","1","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.1114","0.0613","","","0.1361","0.1531","","","","","","1.12","","","","has coordinates","258188","2020-10-21","18:00:00",""
"4037810","32.77","0.004","9.7269","0.0013","23.215","0.003","90","","134.483","0.003","90","","5279.4","1.2","200","2","200","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H22 Cl I2 N3 -","- C20 H22 Cl I2 N3 -","- C160 H176 Cl8 I16 N24 -","8","2","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.0893","0.0591","","","0.1166","0.1272","","","","","","1.054","","","","has coordinates","258188","2020-10-21","18:00:00",""
"4037811","15.734","0.003","16.15","0.004","18.906","0.004","109.625","0.006","90.918","0.006","118.792","0.005","3872.6","1.5","298","2","297.85","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 B F4 I2 N3 -","- C20 H22 B F4 I2 N3 -","- C120 H132 B6 F24 I12 N18 -","6","3","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.1692","0.0921","","","0.2475","0.2991","","","","","","1.045","","","","has coordinates","258188","2020-10-21","18:00:00",""
"4037812","16.791","0.006","28.467","0.011","12.617","0.005","90","","107.753","0.015","90","","5744","4","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 I12 N6 -","- C40 H44 I12 N6 -","- C160 H176 I48 N24 -","4","1","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.0394","0.031","","","0.0645","0.0673","","","","","","1.088","","","","has coordinates,has disorder","258188","2020-10-21","18:00:00",""
"4037813","22.3708","0.0019","11.2189","0.0012","22.842","0.002","90","","117.81","0.003","90","","5070.6","0.8","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 F3 I2 N3 O2 -","- C22 H22 F3 I2 N3 O2 -","- C176 H176 F24 I16 N24 O16 -","8","2","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.1111","0.0914","","","0.213","0.2216","","","","","","1.132","","","","has coordinates,has disorder","258188","2020-10-21","18:00:00",""
"4037814","18.1509","0.0013","18.7643","0.0013","20.4941","0.0016","90","","92.369","0.002","90","","6974.1","0.9","150","2","149.97","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H60 B2 Cl8 F8 I4 N8 -","- C54 H60 B2 Cl8 F8 I4 N8 -","- C216 H240 B8 Cl32 F32 I16 N32 -","4","1","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.1121","0.0965","","","0.202","0.2088","","","","","","1.152","","","","has coordinates,has disorder","258188","2020-10-21","18:00:00",""
"4037815","11.9179","0.001","27.124","0.002","8.6997","0.0007","90","","107.515","0.003","90","","2681.9","0.4","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Cl2 I2 N3 O2 -","- C23 H27 Cl2 I2 N3 O2 -","- C92 H108 Cl8 I8 N12 O8 -","4","1","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.0321","0.0258","","","0.0563","0.0582","","","","","","1.117","","","","has coordinates","258188","2020-10-21","18:00:00",""
"4037816","8.0145","0.0007","8.3149","0.0006","11.3067","0.0009","104.662","0.007","93.314","0.007","98.017","0.007","718.4","0.1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 F2 N4 S2 -","- C14 H12 F2 N4 S2 -","- C28 H24 F4 N8 S4 -","2","1","","Jiang, Wei; Zhuge, Juanping; Li, Jianxiao; Histand, Gary; Lin, Dongen","Direct Sulfenylation of the Purines C8-H Bond with Thiophenols.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03115","","x-ray","0.71073","MoKα","","0.0426","0.0358","","","0.0857","0.0907","","","","","","1.089","","","","has coordinates","246844","2020-10-21","18:00:00",""
"4037817","4.2319","0.0003","14.2453","0.0009","19.5737","0.0012","90","","90","","90","","1179.99","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 F N2 O2 -","- C13 H13 F N2 O2 -","- C52 H52 F4 N8 O8 -","4","1","","Wang, Rongkang; Ding, Tianqi; Jiang, Lvqi; He, Wujuan; Yi, Wenbin","Fluoromethoxymethylation of Nitrogen Heterocyclic Compounds with Fluoromethyl Iodide.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03193","","","0.71073","MoKα","","0.0384","0.0342","","","0.0886","0.0909","","","","","","1.055","","","","has coordinates","246845","2020-10-21","18:00:00",""
"4037818","6.5997","0.0003","7.7561","0.0004","21.4326","0.001","90","","90","","90","","1097.09","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","","Li, Dazhi; Liang, Ce; Jiang, Zaixing; Zhang, JunZheng; Zhuo, Wang-Tao; Zou, Fan-Yue; Wang, Wan-Peng; Gao, Guo-Lin; Song, Jinzhu","Visible-Light Promoted C2 Selective Arylation of Quinoline and Pyridine N-Oxides with Diaryliodonium Tetrafluoroborate.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02933","","x-ray","0.71073","MoKα","","0.0686","0.0475","","","0.0963","0.1113","","","","","","1.05","","","","has coordinates","246887","2020-10-21","18:00:00",""
"4037819","10.392","0.002","13.142","0.004","11.663","0.003","90","","114.467","0.015","90","","1449.8","0.7","173","","172.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 N O3 -","- C15 H21 N O3 -","- C60 H84 N4 O12 -","4","1","","Phelan, Zaki K.; Weiss, Philip S.; He, Yiqun; Guan, Ziyang; Thamattoor, Dasan M.; Griffith, Daniel R.","Synthetic Entry to the 2-azatricyclo[4.3.2.04,9]undecane Ring System via Tropone.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02921","","x-ray","0.71076","MoKα","","0.0988","0.0504","","","0.0955","0.1112","","","","","","1.041","","","","has coordinates","246922","2020-10-21","18:00:00",""
"4037820","13.5796","0.0003","9.3714","0.0002","15.1038","0.0004","90","","115.716","0.002","90","","1731.73","0.08","296","1","296","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 F3 N2 O4 -","- C19 H13 F3 N2 O4 -","- C76 H52 F12 N8 O16 -","4","1","","Kim, Kunyoung; Han, Sang Hoon; Jeoung, Daeun; Ghosh, Prithwish; Kim, Saegun; Kim, Seung Jun; Ku, Jin-Mo; Mishra, Neeraj Kumar; Kim, In Su","Ru(II)-Catalyzed C-H Hydroxyalkylation and Mitsunobu Cyclization of N-Aryl Phthalazinones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03228","","","0.71073","MoKα","","0.1183","0.0644","","","0.1667","0.2024","","","","","","1.019","","","","has coordinates","246923","2020-10-21","18:00:00",""
"4037821","12.8854","0.0002","16.3596","0.0003","7.595","0.0001","90","","91.524","0.001","90","","1600.46","0.04","296","1","296","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O5 -","- C18 H14 N2 O5 -","- C72 H56 N8 O20 -","4","1","","Kim, Kunyoung; Han, Sang Hoon; Jeoung, Daeun; Ghosh, Prithwish; Kim, Saegun; Kim, Seung Jun; Ku, Jin-Mo; Mishra, Neeraj Kumar; Kim, In Su","Ru(II)-Catalyzed C-H Hydroxyalkylation and Mitsunobu Cyclization of N-Aryl Phthalazinones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03228","","","0.71073","MoKα","","0.0823","0.0492","","","0.122","0.1388","","","","","","1.044","","","","has coordinates","246924","2020-10-21","18:00:00",""
"4037822","10.4236","0.0007","9.8837","0.0006","21.6288","0.0014","90","","102.082","0.003","90","","2178.9","0.2","296","1","296","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Cl N2 O2 Ru -","- C24 H23 Cl N2 O2 Ru -","- C96 H92 Cl4 N8 O8 Ru4 -","4","1","","Kim, Kunyoung; Han, Sang Hoon; Jeoung, Daeun; Ghosh, Prithwish; Kim, Saegun; Kim, Seung Jun; Ku, Jin-Mo; Mishra, Neeraj Kumar; Kim, In Su","Ru(II)-Catalyzed C-H Hydroxyalkylation and Mitsunobu Cyclization of N-Aryl Phthalazinones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03228","","","0.71073","MoKα","","0.0559","0.0395","","","0.0886","0.096","","","","","","1.043","","","","has coordinates","246925","2020-10-21","18:00:00",""
"4037823","13.267","0.002","11.839","0.0019","16.549","0.003","90","","110.301","0.005","90","","2437.9","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 Cl N4 O2 S -","- C28 H21 Cl N4 O2 S -","- C112 H84 Cl4 N16 O8 S4 -","4","1","","Banerjee, Sonbidya; Vivek Kumar, Sundaravel; Punniyamurthy, Tharmalingam","Site-Selective Rh-Catalyzed C-7 and C-6 Dual C-H Functionalization of Indolines: Synthesis of Functionalized Pyrrolocarbazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03180","","","0.71073","MoKα","","0.0688","0.0501","","","0.1473","0.1747","","","","","","1.162","","","","has coordinates","246979","2020-10-21","18:00:00",""
"4037824","11.0736","0.0009","14.0744","0.0011","17.649","0.0013","90","","90","","90","","2750.7","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H21 Br N4 O2 S -","- C32 H21 Br N4 O2 S -","- C128 H84 Br4 N16 O8 S4 -","4","1","","Banerjee, Sonbidya; Vivek Kumar, Sundaravel; Punniyamurthy, Tharmalingam","Site-Selective Rh-Catalyzed C-7 and C-6 Dual C-H Functionalization of Indolines: Synthesis of Functionalized Pyrrolocarbazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03180","","","0.71073","MoKα","","0.1132","0.0416","","","0.0828","0.0984","","","","","","0.835","","","","has coordinates","287943","2023-12-01","18:00:39",""
"4037825","8.314","0.002","10.671","0.003","11.777","0.003","94.821","0.006","91.645","0.006","106.762","0.005","995.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 Cl N3 Rh -","- C22 H25 Cl N3 Rh -","- C44 H50 Cl2 N6 Rh2 -","2","1","","Banerjee, Sonbidya; Vivek Kumar, Sundaravel; Punniyamurthy, Tharmalingam","Site-Selective Rh-Catalyzed C-7 and C-6 Dual C-H Functionalization of Indolines: Synthesis of Functionalized Pyrrolocarbazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03180","","","0.71073","MoKα","","0.0423","0.0367","","","0.097","0.1084","","","","","","0.872","","","","has coordinates","246981","2020-10-21","18:00:00",""
"4037826","23.621","0.006","10.647","0.003","16.385","0.004","90","","93.303","0.013","90","","4113.9","1.9","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Cl O4 -","- C24 H21 Cl O4 -","- C192 H168 Cl8 O32 -","8","1","","Zhang, Jianfang; Yang, Qin; Zhu, Yang; Wang, Jianbo; Deng, Guisheng","Synthesis and Rhodium(II)-Mediated Cascade Cyclopropanation/Rearrangement/Isomerization of Diazo 2,3,5-Trisubstituted Furans: the Construction of Pentasubstituted Aromatic Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03093","","","0.71073","MoKα","","0.0609","0.0483","","","0.1282","0.14","","","","","","1.035","","","","has coordinates,has disorder","246982","2020-10-21","18:00:00",""
"4037827","7.8165","0.0011","8.0726","0.0015","11.719","0.0015","97.711","0.013","101.614","0.012","116.715","0.016","625.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C30 H26 N2 O6 -","2","1","","Sahu, Archana Kumari; Unnava, Ramanjaneyulu; Shit, Sudip; Saikia, Anil K.","In(OTf)3 Catalyzed One-Pot Tandem Mannich and Conia-Ene Cyclization Reaction of N-Propargyl Amido Alcohols with 1,3-Dicarbonyl Compounds: An Approach to Construct the Tetrahydro-1H-pyrrolo[2,1-a]isoindolone-1,1-dicarboxylate and its Application.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02686","","","0.71073","MoKα","","0.0911","0.0567","","","0.1184","0.1467","","","","","","1.099","","","","has coordinates","246983","2020-10-21","18:00:00",""
"4037828","8.4181","0.0008","10.0355","0.0009","10.2655","0.001","90","","107.956","0.002","90","","824.99","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O5 -","- C18 H19 N O5 -","- C36 H38 N2 O10 -","2","1","","Sahu, Archana Kumari; Unnava, Ramanjaneyulu; Shit, Sudip; Saikia, Anil K.","In(OTf)3 Catalyzed One-Pot Tandem Mannich and Conia-Ene Cyclization Reaction of N-Propargyl Amido Alcohols with 1,3-Dicarbonyl Compounds: An Approach to Construct the Tetrahydro-1H-pyrrolo[2,1-a]isoindolone-1,1-dicarboxylate and its Application.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02686","","","0.71073","MoKα","","0.0404","0.0369","","","0.0911","0.0941","","","","","","1.073","","","","has coordinates","246984","2020-10-21","18:00:00",""
"4037829","7.6568","0.0017","15.768","0.003","22.082","0.005","90","","96.89","0.004","90","","2646.8","1","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 Cl2 N2 O2 -","- C31 H26 Cl2 N2 O2 -","- C124 H104 Cl8 N8 O8 -","4","1","","Urushibara, Ko; Yamada, Tatsunori; Yokoyama, Akihiro; Mori, Hirotoshi; Masu, Hyuma; Azumaya, Isao; Kagechika, Hiroyuki; Yokozawa, Tsutomu; Tanatani, Aya","Development of Helical Aromatic Amide Foldamers with a Diphenylacetylene Backbone.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02758","","","0.71073","MoKα","","0.1725","0.0775","","","0.1851","0.2316","","","","","","0.987","","","","has coordinates","246985","2020-10-21","18:00:00",""
"4037830","7.7894","0.0013","9.2514","0.0015","23.546","0.004","79.555","0.003","88.839","0.003","69.208","0.002","1558.2","0.4","93","","93","","","","","","","","","4","P -1","-P 1","2","KU-2-127","","","- C40 H30 N2 O4 -","- C40 H30 N2 O4 -","- C80 H60 N4 O8 -","2","1","","Urushibara, Ko; Yamada, Tatsunori; Yokoyama, Akihiro; Mori, Hirotoshi; Masu, Hyuma; Azumaya, Isao; Kagechika, Hiroyuki; Yokozawa, Tsutomu; Tanatani, Aya","Development of Helical Aromatic Amide Foldamers with a Diphenylacetylene Backbone.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02758","","","0.71073","MoKα","","0.0931","0.0504","","","0.1153","0.1317","","","","","","1.022","","","","has coordinates","246986","2020-10-21","18:00:00",""
"4037831","8.9602","0.0018","16.318","0.003","12.487","0.003","90","","103.42","0.03","90","","1775.9","0.7","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 F2 N -","- C23 H21 F2 N -","- C92 H84 F8 N4 -","4","1","","Zhao, Yu-Quan; Tian, Jun-Jie; Ai, Chong-Ren; Wang, Xiao-Chen","Diiodomethane-Mediated Generation of <i>N</i>-Aryliminium Ions and Subsequent [4 + 2] Cycloadditions with Olefins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03148","","","0.71073","MoKα","","0.0583","0.0481","","","0.1359","0.1465","","","","","","1.037","","","","has coordinates","247159","2020-10-21","18:00:00",""
"4037832","8.3094","0.0003","10.6542","0.0003","16.6643","0.0003","102.728","0.0019","90.133","0.002","102.615","0.003","1402.33","0.07","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","N-Phenyl-2-(pyridin-2-yl)benzamide","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","2","","McKay, Alasdair I.; Altalhi, Weam A. O.; McInnes, Lachlan E.; Czyz, Milena L.; Canty, Allan J.; Donnelly, Paul S.; O’Hair, Richard A. J.","Identification of the Side Products That Diminish the Yields of the Monoamidated Product in Metal-Catalyzed C‒H Amidation of 2-Phenylpyridine with Arylisocyanates","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b02831","","x-ray","1.54184","CuKα","","0.0539","0.0463","","","0.1249","0.1303","","","","","","1.071","","","","has coordinates","247160","2020-10-21","18:00:00",""
"4037833","7.7093","0.0005","9.5441","0.0005","12.4195","0.0004","94.235","0.003","93.075","0.004","113.306","0.005","833.52","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","1,3,5-tri(4-fluorophenyl)biuret","","","- C20 H14 F3 N3 O2 -","- C20 H14 F3 N3 O2 -","- C40 H28 F6 N6 O4 -","2","1","","McKay, Alasdair I.; Altalhi, Weam A. O.; McInnes, Lachlan E.; Czyz, Milena L.; Canty, Allan J.; Donnelly, Paul S.; O’Hair, Richard A. J.","Identification of the Side Products That Diminish the Yields of the Monoamidated Product in Metal-Catalyzed C‒H Amidation of 2-Phenylpyridine with Arylisocyanates","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b02831","","x-ray","1.54184","CuKα","","0.0501","0.0465","","","0.1284","0.1308","","","","","","1.113","","","","has coordinates","247160","2020-10-21","18:00:00",""
"4037834","11.447","0.0002","6.2048","0.0002","20.0037","0.0005","90","","94.868","0.002","90","","1415.66","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H13 N O -","- C21 H13 N O -","- C84 H52 N4 O4 -","4","2","","Shanahan, Rachel M.; Hickey, Aobha; Bateman, Lorraine M.; Light, Mark E.; McGlacken, Gerard P.","One-Pot Cross-Coupling/C‒H Functionalization Reactions: Quinoline as a Substrate and Ligand through N‒Pd Interaction","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03321","","x-ray","0.71073","MoKα","","0.0718","0.0547","","","0.0991","0.1052","","","","","","1.067","","","","has coordinates","247161","2020-10-21","18:00:00",""
"4037835","10.7953","0.0004","5.0922","0.0002","25.8426","0.0009","90","","94.918","0.003","90","","1415.38","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N O -","- C21 H13 N O -","- C84 H52 N4 O4 -","4","1","","Shanahan, Rachel M.; Hickey, Aobha; Bateman, Lorraine M.; Light, Mark E.; McGlacken, Gerard P.","One-Pot Cross-Coupling/C‒H Functionalization Reactions: Quinoline as a Substrate and Ligand through N‒Pd Interaction","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03321","","x-ray","0.71073","MoKα","","0.0808","0.0634","","","0.1404","0.1508","","","","","","1.098","","","","has coordinates","247161","2020-10-21","18:00:00",""
"4037836","5.6018","0.0002","10.0673","0.0005","16.0613","0.0008","106.886","0.004","91.313","0.004","99.947","0.004","851.12","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C44 H38 N2 O6 -","2","1","","Shanahan, Rachel M.; Hickey, Aobha; Bateman, Lorraine M.; Light, Mark E.; McGlacken, Gerard P.","One-Pot Cross-Coupling/C‒H Functionalization Reactions: Quinoline as a Substrate and Ligand through N‒Pd Interaction","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03321","","x-ray","0.71073","MoKα","","0.1071","0.0953","","","0.165","0.1697","","","","","","1.314","","","","has coordinates","247161","2020-10-21","18:00:00",""
"4037837","19.9231","0.0003","10.1765","0.0002","15.8477","0.0004","90","","93.433","0.002","90","","3207.31","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H28.67 Br2 N2 O7.33 Pd -","- C34 H28.6666 Br2 N2 O7.3333 Pd -","- C136 H114.666 Br8 N8 O29.3332 Pd4 -","4","0.5","","Shanahan, Rachel M.; Hickey, Aobha; Bateman, Lorraine M.; Light, Mark E.; McGlacken, Gerard P.","One-Pot Cross-Coupling/C‒H Functionalization Reactions: Quinoline as a Substrate and Ligand through N‒Pd Interaction","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03321","","x-ray","0.71073","MoKα","","0.0512","0.0413","","","0.0924","0.0963","","","","","","1.127","","","","has coordinates","247161","2020-10-21","18:00:00",""
"4037838","18.3076","0.0003","7.827","0.0001","22.6989","0.0004","90","","90","","90","","3252.61","0.09","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H28 N2 O6 Pd -","- C34 H28 N2 O6 Pd -","- C136 H112 N8 O24 Pd4 -","4","0.5","","Shanahan, Rachel M.; Hickey, Aobha; Bateman, Lorraine M.; Light, Mark E.; McGlacken, Gerard P.","One-Pot Cross-Coupling/C‒H Functionalization Reactions: Quinoline as a Substrate and Ligand through N‒Pd Interaction","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03321","","x-ray","0.71073","MoKα","","0.0586","0.0561","","","0.0984","0.0996","","","","","","1.251","","","","has coordinates","247161","2020-10-21","18:00:00",""
"4037839","12.4962","0.0006","12.937","0.0005","13.6763","0.0006","86.435","0.004","77.596","0.004","77.317","0.004","2106.4","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Br N O6 -","- C19 H16 Br N O6 -","- C76 H64 Br4 N4 O24 -","4","2","","Zhang, Minli; Li, Tong; Cui, Chaoxing; Song, Xixi; Chang, Junbiao","Stereoselective Sequential Spirocyclopropanation/Cloke-Wilson Rearrangement Reactions for Synthesis of <i>trans</i>-β,γ-Disubstituted γ-Butyrolactones Using Alkylidene Meldrum's Acid and Benzyl Halides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02978","","x-ray","1.54184","CuKα","","0.0773","0.0593","","","0.1621","0.18","","","","","","1.054","","","","has coordinates,has disorder","247162","2020-10-21","18:00:00",""
"4037840","7.8723","0.0007","11.7079","0.0008","12.5625","0.0009","96.684","0.006","91.881","0.007","101.786","0.007","1123.84","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 O4 S2 -","- C26 H22 O4 S2 -","- C52 H44 O8 S4 -","2","1","","Tang, Ling; Yang, Qin; Zhang, Jianfang; Deng, Guisheng","Regioselective Reversal Cyclization To Access either Eight-Membered Sulfur-Containing Heterocycle-Fused γ-Pyrones or 2-(1,4-Dithianyl)-4-pyrones from the Same Precursors.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03303","","x-ray","1.54184","CuKα","","0.0822","0.055","","","0.1658","0.1788","","","","","","1.151","","","","has coordinates","247163","2020-10-21","18:00:00",""
"4037841","6.3222","0.0002","13.4523","0.0004","16.5443","0.0004","102.351","0.003","100.885","0.003","94.385","0.003","1339.72","0.07","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 O4 S3 -","- C24 H19 O4 S3 -","- C48 H38 O8 S6 -","2","1","","Tang, Ling; Yang, Qin; Zhang, Jianfang; Deng, Guisheng","Regioselective Reversal Cyclization To Access either Eight-Membered Sulfur-Containing Heterocycle-Fused γ-Pyrones or 2-(1,4-Dithianyl)-4-pyrones from the Same Precursors.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03303","","x-ray","1.54184","CuKα","","0.0923","0.0811","","","0.2376","0.249","","","","","","1.061","","","","has coordinates","247164","2020-10-21","18:00:00",""
"4037842","6.0928","0.0003","6.9436","0.0004","21.7386","0.0008","90","","90","","90","","919.67","0.08","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H7 Br N4 -","- C8 H7 Br N4 -","- C32 H28 Br4 N16 -","4","1","","Rajamanickam, Suresh; Sah, Chitranjan; Mir, Bilal Ahmad; Ghosh, Subhendu; Sethi, Garima; Yadav, Vinita; Venkataramani, Sugumar; Patel, Bhisma K.","Bu<sub>4</sub>NI-Catalyzed, Radical-Induced Regioselective <i>N</i>-Alkylations and Arylations of Tetrazoles Using Organic Peroxides/Peresters.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02875","","","0.71073","MoKα","","0.0576","0.0418","","","0.0883","0.0984","","","","","","1.001","","","","has coordinates","247165","2020-10-21","18:00:00",""
"4037843","11.253","0.003","11.145","0.003","10.015","0.002","90","","96.67","0.005","90","","1247.5","0.5","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H9 Br N4 -","- C13 H9 Br N4 -","- C52 H36 Br4 N16 -","4","1","","Rajamanickam, Suresh; Sah, Chitranjan; Mir, Bilal Ahmad; Ghosh, Subhendu; Sethi, Garima; Yadav, Vinita; Venkataramani, Sugumar; Patel, Bhisma K.","Bu<sub>4</sub>NI-Catalyzed, Radical-Induced Regioselective <i>N</i>-Alkylations and Arylations of Tetrazoles Using Organic Peroxides/Peresters.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02875","","","0.71073","MoKα","","0.047","0.0376","","","0.0782","0.0798","","","","","","1.997","","","","has coordinates","247166","2020-10-21","18:00:00",""
"4037844","10.1498","0.0015","11.446","0.0016","12.8648","0.0018","110.09","0.002","102.591","0.002","95.859","0.002","1344.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","12i","","- C27 H29 Cl4 N3 O3 -","- C27 H29 Cl4 N3 O3 -","- C54 H58 Cl8 N6 O6 -","2","1","","Pertejo, Pablo; Carreira-Barral, Israel; Peña-Calleja, Pablo; Quesada, Roberto; García-Valverde, María","Post-Ugi Transformations for the Access to Pyrrolobenzodiazepine Scaffolds with Different Degrees of Unsaturation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02995","","","0.71073","MoKα","","0.0687","0.0466","","","0.1105","0.1181","","","","","","0.954","","","","has coordinates","247167","2020-10-21","18:00:00",""
"4037845","9.9494","0.0007","9.2406","0.0006","21.1428","0.0013","90","","90","","90","","1943.8","0.2","273","2","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H21 B N2 O -","- C22 H21 B N2 O -","- C88 H84 B4 N8 O4 -","4","1","","Mao, Lujia; Li, Chunlei; Xiang, Libo; Fu, Dejun; Ma, Wangyang; Ye, Qing","Synthesis of Allenyl-Bdan via the Cu(I)-Catalyzed Borylation of Propargylic Alcohols with the Unsymmetric Diboron Reagent (Bpin-Bdan).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03319","","","0.71073","MoKα","","0.0478","0.0374","","","0.0894","0.0966","","","","","","1.083","","","","has coordinates","247168","2020-10-21","18:00:00",""
"4037846","14.7636","0.0014","5.5546","0.0005","22.076","0.002","90","","101.332","0.003","90","","1775.1","0.3","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 B Cl N2 -","- C19 H22 B Cl N2 -","- C76 H88 B4 Cl4 N8 -","4","1","","Mao, Lujia; Li, Chunlei; Xiang, Libo; Fu, Dejun; Ma, Wangyang; Ye, Qing","Synthesis of Allenyl-Bdan via the Cu(I)-Catalyzed Borylation of Propargylic Alcohols with the Unsymmetric Diboron Reagent (Bpin-Bdan).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03319","","","0.71073","MoKα","","0.0556","0.0415","","","0.1046","0.1177","","","","","","1.072","","","","has coordinates","247168","2020-10-21","18:00:00",""
"4037847","9.8831","0.0013","10.2552","0.0013","10.8546","0.0013","102.129","0.008","99.415","0.009","118.029","0.008","904.5","0.2","111","2","111.08","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 F3 N O3 -","- C22 H16 F3 N O3 -","- C44 H32 F6 N2 O6 -","2","1","","Zhang, Lei; Duan, Jindian; Xu, Gaochen; Ding, Xiaojuan; Mao, Yiyang; Rong, Binsen; Zhu, Ning; Fang, Zheng; Li, Zhenjiang; Guo, Kai","Copper-Catalyzed N-O Cleavage of α,β-Unsaturated Ketoxime Acetates toward Structurally Diverse Pyridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03238","","","1.34139","GaKα","","0.1004","0.0759","","","0.2165","0.2401","","","","","","1.102","","","","has coordinates","247169","2020-10-21","18:00:00",""
"4037848","11.9806","0.001","28.9942","0.0017","7.2032","0.0007","90","","106.024","0.01","90","","2404.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C112 H88 N8 O24 -","8","2","","You, Changming; Zhang, Zhenming; Tu, Yongliang; Tang, Hong; Wang, Yuanfeng; Long, Da; Zhao, Junfeng","Transition-Metal-Free Approach to Polysubstituted Furans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03006","","x-ray","0.71073","MoKα","","0.0921","0.0629","","","0.1485","0.1639","","","","","","1.109","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037849","11.0843","0.0003","9.0065","0.0002","18.6072","0.0005","90","","92.364","0.001","90","","1855.99","0.08","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N O P -","- C24 H18 N O P -","- C96 H72 N4 O4 P4 -","4","1","","Ye, Wenqiang; Li, Xiaobin; Ding, Bingbing; Wang, Chenchen; Shrestha, Mohini; Ma, Xiang; Chen, Yifeng; Tian, He","Facile Synthesis of Nitrogen-Containing Six-Membered Benzofuzed Phenophosphazinine Oxides and Studies of the Photophysical Properties.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02847","","","0.71073","MoKα","","0.0396","0.0338","","","0.0841","0.0886","","","","","","1.051","","","","has coordinates","247229","2020-10-21","18:00:00",""
"4037850","9.4685","0.0002","18.8225","0.0004","21.6751","0.0004","90","","94.809","0.001","90","","3849.36","0.14","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 B N P -","- C24 H21 B N P -","- C192 H168 B8 N8 P8 -","8","2","","Ye, Wenqiang; Li, Xiaobin; Ding, Bingbing; Wang, Chenchen; Shrestha, Mohini; Ma, Xiang; Chen, Yifeng; Tian, He","Facile Synthesis of Nitrogen-Containing Six-Membered Benzofuzed Phenophosphazinine Oxides and Studies of the Photophysical Properties.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02847","","","0.71073","MoKα","","0.0654","0.0456","","","0.1055","0.1208","","","","","","1.021","","","","has coordinates","247230","2020-10-21","18:00:00",""
"4037851","19.065","0.0005","8.0448","0.0002","21.6927","0.0005","90","","105.039","0.003","90","","3213.14","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 N6 O11 -","- C34 H28 N6 O11 -","- C136 H112 N24 O44 -","4","0.5","","Bracken, Cormac; Baumann, Marcus","Development of a Continuous Flow Photoisomerization Reaction Converting Isoxazoles into Diverse Oxazole Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03399","","","0.71073","MoKα","","0.0505","0.0417","","","0.0999","0.1068","","","","","","1.053","","","","has coordinates","247231","2020-10-21","18:00:00",""
"4037852","6.7593","0.0002","13.8328","0.0003","12.7123","0.0003","90","","92.793","0.002","90","","1187.19","0.05","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","1","","Bracken, Cormac; Baumann, Marcus","Development of a Continuous Flow Photoisomerization Reaction Converting Isoxazoles into Diverse Oxazole Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03399","","","1.54184","CuKα","","0.0508","0.0494","","","0.1361","0.137","","","","","","1.103","","","","has coordinates","247231","2020-10-21","18:00:00",""
"4037853","13.35","0.001","8.1964","0.0005","11.5379","0.0007","90","","109.66","0.007","90","","1188.9","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","1","","Bracken, Cormac; Baumann, Marcus","Development of a Continuous Flow Photoisomerization Reaction Converting Isoxazoles into Diverse Oxazole Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03399","","","1.54184","CuKα","","0.0646","0.046","","","0.1127","0.1267","","","","","","1.05","","","","has coordinates","247231","2020-10-21","18:00:00",""
"4037854","5.29","0.00009","16.4483","0.0002","12.6312","0.0002","90","","93.837","0.002","90","","1096.6","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 N O3 S -","- C10 H9 N O3 S -","- C40 H36 N4 O12 S4 -","4","1","","Bracken, Cormac; Baumann, Marcus","Development of a Continuous Flow Photoisomerization Reaction Converting Isoxazoles into Diverse Oxazole Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03399","","","1.54184","CuKα","","0.0465","0.0422","","","0.1305","0.1363","","","","","","1.101","","","","has coordinates","247231","2020-10-21","18:00:00",""
"4037855","9.6285","0.0002","11.3962","0.0002","9.9019","0.0003","90","","115.8","0.003","90","","978.21","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C40 H40 N8 O12 -","4","1","","Bracken, Cormac; Baumann, Marcus","Development of a Continuous Flow Photoisomerization Reaction Converting Isoxazoles into Diverse Oxazole Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03399","","","1.54184","CuKα","","0.0441","0.0417","","","0.1249","0.1295","","","","","","1.084","","","","has coordinates","247231","2020-10-21","18:00:00",""
"4037856","25.037","0.005","8.0888","0.0015","19.202","0.003","90","","118.618","0.005","90","","3413.7","1.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 O2 -","- C24 H17 O2 -","- C192 H136 O16 -","8","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Hsiao, Yu-Ting; Chen, Shin-Mei","Ac2O-Mediated Dearylacetylative Dimerization of 2-Arylacetyl-1-naphthols. Synthesis of Naphtho[1,2-b]furan-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03298","","","0.71073","MoKα","","0.0536","0.043","","","0.1219","0.1327","","","","","","1.038","","","","has coordinates","247232","2020-10-21","18:00:00",""
"4037857","16.3545","0.0007","11.9821","0.0005","7.3657","0.0003","90","","100.21","0.001","90","","1420.54","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Br O2 -","- C18 H13 Br O2 -","- C72 H52 Br4 O8 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Hsiao, Yu-Ting; Chen, Shin-Mei","Ac2O-Mediated Dearylacetylative Dimerization of 2-Arylacetyl-1-naphthols. Synthesis of Naphtho[1,2-b]furan-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03298","","","0.71073","MoKα","","0.0284","0.0231","","","0.0592","0.0632","","","","","","1.077","","","","has coordinates","247232","2020-10-21","18:00:00",""
"4037858","8.128","0.0004","10.6123","0.0006","14.7375","0.0008","84.715","0.002","79.253","0.002","75.963","0.002","1210.15","0.11","99","2","99","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H22 O6 -","- C32 H22 O6 -","- C64 H44 O12 -","2","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Hsiao, Yu-Ting; Chen, Shin-Mei","Ac2O-Mediated Dearylacetylative Dimerization of 2-Arylacetyl-1-naphthols. Synthesis of Naphtho[1,2-b]furan-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03298","","","0.71073","MoKα","","0.0577","0.0438","","","0.0998","0.1079","","","","","","1.041","","","","has coordinates,has disorder","247232","2020-10-21","18:00:00",""
"4037859","7.9733","0.001","10.7024","0.0014","14.7112","0.0019","84.455","0.007","80.196","0.006","74.507","0.006","1190.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 O6 S -","- C30 H20 O6 S -","- C60 H40 O12 S2 -","2","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Hsiao, Yu-Ting; Chen, Shin-Mei","Ac2O-Mediated Dearylacetylative Dimerization of 2-Arylacetyl-1-naphthols. Synthesis of Naphtho[1,2-b]furan-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03298","","","0.71073","MoKα","","0.0953","0.0715","","","0.1944","0.2046","","","","","","1.115","","","","has coordinates,has disorder","247232","2020-10-21","18:00:00",""
"4037860","7.9744","0.0003","20.0084","0.0006","7.1794","0.0002","90","","103.779","0.002","90","","1112.54","0.06","99","2","99","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F2 O2 -","- C14 H10 F2 O2 -","- C56 H40 F8 O8 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Hsiao, Yu-Ting; Chen, Shin-Mei","Ac2O-Mediated Dearylacetylative Dimerization of 2-Arylacetyl-1-naphthols. Synthesis of Naphtho[1,2-b]furan-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03298","","","0.71073","MoKα","","0.0356","0.0323","","","0.08","0.0822","","","","","","1.052","","","","has coordinates","247232","2020-10-21","18:00:00",""
"4037861","11.4374","0.0005","25.6538","0.0009","7.4152","0.0003","90","","90","","90","","2175.71","0.15","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H13 Cl F3 N O3 -","- C6 H13 Cl F3 N O3 -","- C48 H104 Cl8 F24 N8 O24 -","8","1","","Trofymchuk, Serhii; Bugera, Maksym; Klipkov, Anton A.; Razhyk, Bohdan; Semenov, Sergey; Tarasenko, Karen; Starova, Viktoriia S.; Zaporozhets, Olga A.; Tananaiko, Oksana Y.; Alekseenko, Anatoliy N.; Pustovit, Yurii; Kiriakov, Oleksandr; Gerus, Igor I.; Tolmachev, Andrei A.; Mykhailiuk, Pavel K.","Deoxofluorination of (Hetero)aromatic Acids.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03011","","","0.71073","MoKα","","0.109","0.0623","","","0.1733","0.1978","","","","","","0.993","","","","has coordinates","247268","2020-10-21","18:00:00",""
"4037862","12.5754","0.0018","7.6962","0.0009","10.3772","0.0015","90","","99.556","0.014","90","","990.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cl F3 N O2 -","- C6 H11 Cl F3 N O2 -","- C24 H44 Cl4 F12 N4 O8 -","4","1","","Trofymchuk, Serhii; Bugera, Maksym; Klipkov, Anton A.; Razhyk, Bohdan; Semenov, Sergey; Tarasenko, Karen; Starova, Viktoriia S.; Zaporozhets, Olga A.; Tananaiko, Oksana Y.; Alekseenko, Anatoliy N.; Pustovit, Yurii; Kiriakov, Oleksandr; Gerus, Igor I.; Tolmachev, Andrei A.; Mykhailiuk, Pavel K.","Deoxofluorination of (Hetero)aromatic Acids.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03011","","","0.71073","MoKα","","0.126","0.084","","","0.224","0.2528","","","","","","1.013","","","","has coordinates","247269","2020-10-21","18:00:00",""
"4037863","25.7809","0.0017","6.5384","0.0007","25.2124","0.0018","90","","90","","90","","4249.9","0.6","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H13 Cl F3 N O3 -","- C6 H13 Cl F3 N O3 -","- C96 H208 Cl16 F48 N16 O48 -","16","2","","Trofymchuk, Serhii; Bugera, Maksym; Klipkov, Anton A.; Razhyk, Bohdan; Semenov, Sergey; Tarasenko, Karen; Starova, Viktoriia S.; Zaporozhets, Olga A.; Tananaiko, Oksana Y.; Alekseenko, Anatoliy N.; Pustovit, Yurii; Kiriakov, Oleksandr; Gerus, Igor I.; Tolmachev, Andrei A.; Mykhailiuk, Pavel K.","Deoxofluorination of (Hetero)aromatic Acids.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03011","","","0.71073","MoKα","","0.0972","0.046","","","0.1097","0.1272","","","","","","0.922","","","","has coordinates","247270","2020-10-21","18:00:00",""
"4037864","11.8335","0.0011","9.7817","0.0006","8.4036","0.0007","90","","109.386","0.009","90","","917.58","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cl F3 N O2 -","- C6 H11 Cl F3 N O2 -","- C24 H44 Cl4 F12 N4 O8 -","4","1","","Trofymchuk, Serhii; Bugera, Maksym; Klipkov, Anton A.; Razhyk, Bohdan; Semenov, Sergey; Tarasenko, Karen; Starova, Viktoriia S.; Zaporozhets, Olga A.; Tananaiko, Oksana Y.; Alekseenko, Anatoliy N.; Pustovit, Yurii; Kiriakov, Oleksandr; Gerus, Igor I.; Tolmachev, Andrei A.; Mykhailiuk, Pavel K.","Deoxofluorination of (Hetero)aromatic Acids.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03011","","","0.71073","MoKα","","0.0569","0.0467","","","0.1265","0.1313","","","","","","1.041","","","","has coordinates","247271","2020-10-21","18:00:00",""
"4037865","5.731","0.0003","9.8325","0.0006","21.1541","0.0011","90","","97.167","0.004","90","","1182.72","0.11","293","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 N2 O Se -","- C10 H14 N2 O Se -","- C40 H56 N8 O4 Se4 -","4","1","","Vyhivskyi, Oleksandr; Laikov, Dimitri N.; Finko, Alexander V.; Skvortsov, Dmitry A.; Zhirkina, Irina V.; Tafeenko, Victor Aleksandrovich; Zyk, Nikolay Vasil'evich; Majouga, Alexander G.; Beloglazkina, Elena K.","Ullmann-type C-Se cross-coupling in the hydantoin family: Synthesis, mechanistic studies, and tests of biological activity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03045","","","1.54186","CuKα","","0.0825","0.0646","","","0.1859","0.217","","","","","","1.143","","","","has coordinates","247319","2020-10-21","18:00:00",""
"4037866","8.4289","0.0003","8.5315","0.0003","21.5452","0.0008","84.363","0.004","82.348","0.003","64.495","0.003","1384.45","0.09","295","2","295","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H23 I N2 O4 Se -","- C32 H23 I N2 O4 Se -","- C64 H46 I2 N4 O8 Se2 -","2","1","","Vyhivskyi, Oleksandr; Laikov, Dimitri N.; Finko, Alexander V.; Skvortsov, Dmitry A.; Zhirkina, Irina V.; Tafeenko, Victor Aleksandrovich; Zyk, Nikolay Vasil'evich; Majouga, Alexander G.; Beloglazkina, Elena K.","Ullmann-type C-Se cross-coupling in the hydantoin family: Synthesis, mechanistic studies, and tests of biological activity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03045","","","1.54186","CuKα","","0.1098","0.0683","","","0.2008","0.2205","","","","","","1.006","","","","has coordinates","247320","2020-10-21","18:00:00",""
"4037867","5.2768","0.0006","20.0266","0.0009","15.2838","0.0007","90","","92.826","0.003","90","","1613.2","0.2","295","2","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 F N2 O Se -","- C16 H17 F N2 O Se -","- C64 H68 F4 N8 O4 Se4 -","4","1","","Vyhivskyi, Oleksandr; Laikov, Dimitri N.; Finko, Alexander V.; Skvortsov, Dmitry A.; Zhirkina, Irina V.; Tafeenko, Victor Aleksandrovich; Zyk, Nikolay Vasil'evich; Majouga, Alexander G.; Beloglazkina, Elena K.","Ullmann-type C-Se cross-coupling in the hydantoin family: Synthesis, mechanistic studies, and tests of biological activity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03045","","","1.54186","CuKα","","0.1886","0.073","","","0.1576","0.2099","","","","","","0.801","","","","has coordinates","247321","2020-10-21","18:00:00",""
"4037868","6.8326","0.0003","11.2722","0.0004","17.3205","0.0008","79.43","0.003","82.686","0.004","73.523","0.003","1253.49","0.09","295","2","295","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H20 F3 N3 O3 Se -","- C27 H20 F3 N3 O3 Se -","- C54 H40 F6 N6 O6 Se2 -","2","1","","Vyhivskyi, Oleksandr; Laikov, Dimitri N.; Finko, Alexander V.; Skvortsov, Dmitry A.; Zhirkina, Irina V.; Tafeenko, Victor Aleksandrovich; Zyk, Nikolay Vasil'evich; Majouga, Alexander G.; Beloglazkina, Elena K.","Ullmann-type C-Se cross-coupling in the hydantoin family: Synthesis, mechanistic studies, and tests of biological activity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03045","","","1.54186","CuKα","","0.1179","0.039","","","0.0721","0.0864","","","","","","0.736","","","","has coordinates,has disorder","247322","2020-10-21","18:00:00",""
"4037869","15.7459","0.0008","10.4802","0.0004","20.5472","0.0007","90","","105.505","0.004","90","","3267.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 Br Cl N4 O5 -","- C37 H30 Br Cl N4 O5 -","- C148 H120 Br4 Cl4 N16 O20 -","4","1","","Song, Xiang-Jia; Ren, Hong-Xia; Xiang, Min; Li, Chen-Yi; Tian, Fang; Wang, Li-Xin","Base Catalyzed Abnormal [3 + 2]-Cycloaddition between Isatin N,N'-Cyclic Azomethine Imine 1,3-Dipole and 3-Methyleneoxindole for the One-step Construction of Tetracyclic Bispirooxindoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03050","","x-ray","1.54184","CuKα","","0.0573","0.0414","","","0.0992","0.1096","","","","","","1.011","","","","has coordinates","247323","2020-10-21","18:00:00",""
"4037870","9.8347","0.0005","22.0058","0.0012","10.1652","0.0006","90","","94.998","0.002","90","","2191.6","0.2","273.15","","273.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H17 Br F3 N O3 -","- C25 H17 Br F3 N O3 -","- C100 H68 Br4 F12 N4 O12 -","4","2","","Joshi, Harshit; Yadav, Ankit; Das, Arko; Singh, Vinod K.","Organocatalytic Asymmetric Hetero-Diels-Alder Reaction of in-situ Generated Dienes: Access to α,β-Unsaturated δ-Lactones Featuring CF3-Substituted Quaternary Stereocenter.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03076","","","0.71073","MoKα","","0.0329","0.0293","","","0.0685","0.0701","","","","","","1.013","","","","has coordinates","247324","2020-10-21","18:00:00",""
"4037871","10.6343","0.0005","11.7382","0.0005","20.6645","0.001","90","","90","","90","","2579.5","0.2","273.15","","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Br F3 N2 O3 -","- C29 H26 Br F3 N2 O3 -","- C116 H104 Br4 F12 N8 O12 -","4","1","","Joshi, Harshit; Yadav, Ankit; Das, Arko; Singh, Vinod K.","Organocatalytic Asymmetric Hetero-Diels-Alder Reaction of in-situ Generated Dienes: Access to α,β-Unsaturated δ-Lactones Featuring CF3-Substituted Quaternary Stereocenter.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03076","","x-ray","0.71073","MoKα","","0.0375","0.0292","","","0.0636","0.0688","","","","","","1.064","","","","has coordinates","247325","2020-10-21","18:00:00",""
"4037872","11.4939","0.0005","25.4522","0.001","19.9319","0.0009","90","","95.614","0.004","90","","5803","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 Cl N3 O4 S -","- C31 H34 Cl N3 O4 S -","- C248 H272 Cl8 N24 O32 S8 -","8","2","","Liang, Guoduan; Pang, Yadong; Ji, Yanjun; Zhuang, Kaitong; Li, Linji; Xie, Fukai; Yang, Lu; Cheng, Maosheng; Lin, Bin; Liu, Yongxiang","Diastereoselective Syntheses of Spiro[indoline-3,4'-pyridin]-2-yl)carbamates via AgOTf/Ph3P-Catalyzed Tandem Cyclizations of Tryptamine-Ynesulfonamides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02839","","x-ray","0.71073","MoKα","","0.0626","0.0451","","","0.0972","0.1069","","","","","","1.038","","","","has coordinates","247326","2020-10-21","18:00:00",""
"4037873","4.2243","0.0008","10.511","0.002","34.796","0.007","90","","93.12","0.03","90","","1542.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N2 O -","- C22 H14 N2 O -","- C88 H56 N8 O4 -","4","1","","Zhang, Jin; Wang, Xiaogang; Chen, Di; Kang, Yifan; Ma, Yangmin; Szostak, Michal","Synthesis of C6-Substituted Isoquinolino[1,2-b]quinazolines via Rh(III)-Catalyzed C-H Annulation with Sulfoxonium Ylides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03065","","","0.71073","MoKα","","0.2948","0.1001","","","0.1626","0.2176","","","","","","0.982","","","","has coordinates","247388","2020-10-21","18:00:00",""
"4037874","27.769","0.002","5.4256","0.0004","11.013","0.0008","90","","109.947","0.003","90","","1559.7","0.2","173","","173","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H15 F O -","- C21 H15 F O -","- C84 H60 F4 O4 -","4","1","","Gu, Chang-Xue; Chen, Wen-Wen; Xu, Ming-Hua","Pd(II)-Catalyzed Asymmetric Annulation towards the Synthesis of 2,3-Disubstituted Chiral Indenols.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02958","","","1.54178","CuKα","","0.0336","0.0326","","","0.0883","0.0896","","","","","","1.028","","","","has coordinates","247389","2020-10-21","18:00:00",""
"4037875","11.8432","0.0011","7.9837","0.0009","18.2139","0.0018","90","","103.536","0.01","90","","1674.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O2 Se -","- C17 H20 N2 O2 Se -","- C68 H80 N8 O8 Se4 -","4","1","","Liu, Hua-Wei; Fang, Yi; Wang, Shun-Yi; Ji, Shun-Jun","Base-promoted Multicomponent Reactions: A Synthesis of 2-Amino-1,3-Selenazole Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03234","","","0.71073","MoKα","","0.1402","0.0605","","","0.1183","0.1574","","","","","","1.015","","","","has coordinates","247390","2020-10-21","18:00:00",""
"4037876","15.8429","0.0016","15.1141","0.0015","9.6013","0.001","90","","95.301","0.003","90","","2289.2","0.4","150","2","150","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C52 H74 O6 -","- C51 H71 O6 -","- C102 H142 O12 -","2","1","","Cornelissen, Milo D.; Pilon, Simone; Steemers, Luuk; Wanner, Martin J.; Frölke, Steven; Zuidinga, Ed; Jorgensen, Steen Ingemann; van der Vlugt, Jarl Ivar; van Maarseveen, Jan H.","A covalent and modular synthesis of homo and hetero [n]rotaxanes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03030","","","0.71073","MoKα","","0.2594","0.1643","","","0.2888","0.3261","","","","","","1.639","","","","has coordinates","247391","2020-10-21","18:00:00",""
"4037877","8.7409","0.0019","12.748","0.003","13.057","0.003","105.542","0.006","94.855","0.006","96.174","0.006","1383.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H38 N3 O3 -","- C31 H38 N3 O3 -","- C62 H76 N6 O6 -","2","1","","Cornelissen, Milo D.; Pilon, Simone; Steemers, Luuk; Wanner, Martin J.; Frölke, Steven; Zuidinga, Ed; Jorgensen, Steen Ingemann; van der Vlugt, Jarl Ivar; van Maarseveen, Jan H.","A covalent and modular synthesis of homo and hetero [n]rotaxanes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03030","","","0.71073","MoKα","","0.1835","0.1547","","","0.3741","0.4082","","","","","","3.084","","","","has coordinates","247392","2020-10-21","18:00:00",""
"4037878","9.6913","0.0003","16.8368","0.0003","11.7014","0.0003","90","","108.615","0.003","90","","1809.44","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C80 H84 N4 O12 S4 -","4","1","","Lei, Lu; Yao, Yi-Yun; Jiang, Li-Juan; Lu, Xiuqiang; Liang, Cui; Mo, Dong-Liang","Synthesis of Furo[3,2-b]quinolines and Furo[2,3-b:4,5-b']diquinolines through [4+2] Cycloaddition of Aza-o-Quinone Methides and Furans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02953","","x-ray","0.71073","MoKα","","0.0773","0.0476","","","0.1099","0.1265","","","","","","1.04","","","","has coordinates","247856","2020-10-21","18:00:00",""
"4037879","14.541","0.005","9.003","0.003","15.044","0.005","90","","99.262","0.006","90","","1943.8","1.1","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O3 S -","- C21 H23 N O3 S -","- C84 H92 N4 O12 S4 -","4","1","","Lei, Lu; Yao, Yi-Yun; Jiang, Li-Juan; Lu, Xiuqiang; Liang, Cui; Mo, Dong-Liang","Synthesis of Furo[3,2-b]quinolines and Furo[2,3-b:4,5-b']diquinolines through [4+2] Cycloaddition of Aza-o-Quinone Methides and Furans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02953","","","0.71073","MoKα","","0.0598","0.046","","","0.1255","0.1356","","","","","","1.04","","","","has coordinates","247857","2020-10-21","18:00:00",""
"4037880","10.6946","0.0004","9.1589","0.0004","18.4833","0.0009","90","","99.212","0.004","90","","1787.1","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O2 S -","- C19 H20 N2 O2 S -","- C76 H80 N8 O8 S4 -","4","1","","Lei, Lu; Yao, Yi-Yun; Jiang, Li-Juan; Lu, Xiuqiang; Liang, Cui; Mo, Dong-Liang","Synthesis of Furo[3,2-b]quinolines and Furo[2,3-b:4,5-b']diquinolines through [4+2] Cycloaddition of Aza-o-Quinone Methides and Furans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02953","","x-ray","0.71073","MoKα","","0.0996","0.061","","","0.1444","0.1756","","","","","","1.032","","","","has coordinates","247858","2020-10-21","18:00:00",""
"4037881","8.35","0.004","11.844","0.005","27.87","0.013","90","","92.594","0.007","90","","2753","2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Cl N2 O4 S2 -","- C28 H27 Cl N2 O4 S2 -","- C112 H108 Cl4 N8 O16 S8 -","4","1","","Lei, Lu; Yao, Yi-Yun; Jiang, Li-Juan; Lu, Xiuqiang; Liang, Cui; Mo, Dong-Liang","Synthesis of Furo[3,2-b]quinolines and Furo[2,3-b:4,5-b']diquinolines through [4+2] Cycloaddition of Aza-o-Quinone Methides and Furans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02953","","","0.71073","MoKα","","0.0828","0.0667","","","0.1944","0.2095","","","","","","1.036","","","","has coordinates","247859","2020-10-21","18:00:00",""
"4037882","9.9394","0.0009","11.9322","0.001","13.6398","0.0006","70.892","0.006","77.159","0.007","86.585","0.007","1490.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 N2 O5 S2 -","- C33 H32 N2 O5 S2 -","- C66 H64 N4 O10 S4 -","2","1","","Lei, Lu; Yao, Yi-Yun; Jiang, Li-Juan; Lu, Xiuqiang; Liang, Cui; Mo, Dong-Liang","Synthesis of Furo[3,2-b]quinolines and Furo[2,3-b:4,5-b']diquinolines through [4+2] Cycloaddition of Aza-o-Quinone Methides and Furans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02953","","x-ray","0.71073","MoKα","","0.1327","0.0634","","","0.1207","0.1688","","","","","","1.039","","","","has coordinates","247860","2020-10-21","18:00:00",""
"4037883","13.9899","0.0005","8.3035","0.0003","15.1181","0.0006","90","","104.696","0.004","90","","1698.74","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O3 S -","- C19 H19 N O3 S -","- C76 H76 N4 O12 S4 -","4","1","","Lei, Lu; Yao, Yi-Yun; Jiang, Li-Juan; Lu, Xiuqiang; Liang, Cui; Mo, Dong-Liang","Synthesis of Furo[3,2-b]quinolines and Furo[2,3-b:4,5-b']diquinolines through [4+2] Cycloaddition of Aza-o-Quinone Methides and Furans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02953","","x-ray","0.71073","MoKα","","0.0853","0.0512","","","0.1142","0.1335","","","","","","1.061","","","","has coordinates","247861","2020-10-21","18:00:00",""
"4037884","12.1509","0.0003","23.4957","0.0005","20.3383","0.0005","90","","106.84","0.001","90","","5557.5","0.2","170","2","169.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H78 Cl2 F4 N4 Pd2 -","- C56 H78 Cl2 F4 N4 Pd2 -","- C224 H312 Cl8 F16 N16 Pd8 -","4","1","","Zhao, Haiwei; Herbert, Simon; Kinzel, Tom; Zhang, Wei; Shen, Qilong","Two ligands transfer from Ag to Pd: En Route to (SIPr)Pd(CF2H)(X) and its Application in One-pot C-H Borylation/Difluoromethylation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03296","","","1.34139","GaKα","","0.0829","0.0774","","","0.2103","0.2178","","","","","","1.044","","","","has coordinates","247862","2020-10-21","18:00:00",""
"4037885","16.8572","0.0006","12.4408","0.0004","34.1009","0.0013","90","","103.498","0.001","90","","6954","0.4","192","2","192","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H48 F2 N2 O2 Pd -","- C33 H48 F2 N2 O2 Pd -","- C264 H384 F16 N16 O16 Pd8 -","8","2","","Zhao, Haiwei; Herbert, Simon; Kinzel, Tom; Zhang, Wei; Shen, Qilong","Two ligands transfer from Ag to Pd: En Route to (SIPr)Pd(CF2H)(X) and its Application in One-pot C-H Borylation/Difluoromethylation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03296","","","0.71073","MoKα","","0.0465","0.0342","","","0.0858","0.0949","","","","","","1.041","","","","has coordinates,has disorder","247863","2020-10-21","18:00:00",""
"4037886","12.505","0.0006","17.9473","0.0007","13.6621","0.0006","90","","94.227","0.002","90","","3057.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 F2 N2 O2 Pd -","- C30 H42 F2 N2 O2 Pd -","- C120 H168 F8 N8 O8 Pd4 -","4","1","","Zhao, Haiwei; Herbert, Simon; Kinzel, Tom; Zhang, Wei; Shen, Qilong","Two ligands transfer from Ag to Pd: En Route to (SIPr)Pd(CF2H)(X) and its Application in One-pot C-H Borylation/Difluoromethylation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03296","","","0.71073","MoKα","","0.1006","0.0679","","","0.1832","0.2226","","","","","","1.025","","","","has coordinates","247864","2020-10-21","18:00:00",""
"4037887","11.3777","0.0017","9.7451","0.0015","19.06","0.003","90","","95.769","0.006","90","","2102.6","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N3 O2 -","- C25 H25 N3 O2 -","- C100 H100 N12 O8 -","4","1","","Singh, Priyanka; Kaur, Navpreet; Banerjee, Prabal","Regioselective Brønsted Acid Catalyzed Annulation of Cyclopropane Aldehydes with N'-Aryl Anthranil Hydrazides: Domino Construction of Tetrahydropyrrolo[1,2-a]quinazolin-5(1H)ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03170","","","0.71073","MoKα","","0.0594","0.0486","","","0.131","0.1392","","","","","","1.052","","","","has coordinates","247865","2020-10-21","18:00:00",""
"4037888","21.3859","0.0014","9.954","0.0008","20.1133","0.0014","90","","90.644","0.002","90","","4281.4","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H25 N3 O2 -","- C25 H25 N3 O2 -","- C200 H200 N24 O16 -","8","1","","Singh, Priyanka; Kaur, Navpreet; Banerjee, Prabal","Regioselective Brønsted Acid Catalyzed Annulation of Cyclopropane Aldehydes with N'-Aryl Anthranil Hydrazides: Domino Construction of Tetrahydropyrrolo[1,2-a]quinazolin-5(1H)ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03170","","","0.71073","MoKα","","0.0522","0.0478","","","0.1226","0.1263","","","","","","1.072","","","","has coordinates","247866","2020-10-21","18:00:00",""
"4037889","9.852","0.005","10.061","0.005","21.49","0.005","90","0.005","98.006","0.005","90","0.005","2109.3","1.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N3 O2 -","- C25 H25 N3 O2 -","- C100 H100 N12 O8 -","4","1","","Singh, Priyanka; Kaur, Navpreet; Banerjee, Prabal","Regioselective Brønsted Acid Catalyzed Annulation of Cyclopropane Aldehydes with N'-Aryl Anthranil Hydrazides: Domino Construction of Tetrahydropyrrolo[1,2-a]quinazolin-5(1H)ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03170","","","0.71073","MoKα","","0.0802","0.061","","","0.1397","0.1507","","","","","","1.091","","","","has coordinates","247867","2020-10-21","18:00:00",""
"4037890","9.501","0.0001","10.4714","0.0001","13.6454","0.0003","72.685","0.001","72.133","0.001","85.192","0.001","1233.49","0.03","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H23 N3 O3 S Se -","- C27 H23 N3 O3 S Se -","- C54 H46 N6 O6 S2 Se2 -","2","1","","Obah Kosso, Anne Roly; Kabri, Youssef; Broggi, Julie; Redon, Sébastien; Vanelle, Patrice","Sequential Regioselective Di-organochalcogenations of Imidazo[1,2-<i>a</i>]pyrimidines using I<sub>2</sub>/H<sub>3</sub>PO<sub>4</sub> in DMSO.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02963","","x-ray","1.54184","CuKα","","0.0393","0.0375","","","0.1013","0.1034","","","","","","1.043","","","","has coordinates,has disorder","247868","2020-10-21","18:00:00",""
"4037891","9.7","0.003","6.943","0.002","15.369","0.005","90","","103.485","0.004","90","","1006.5","0.5","89.95","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 N O6 P -","- C22 H20 N O6 P -","- C44 H40 N2 O12 P2 -","2","1","","Arai, Ryoga; Hirashima, Shin-Ichi; Nakano, Tatsuki; Kawada, Masahiro; Akutsu, Hiroshi; Nakashima, Kosuke; Miura, Tsuyoshi","Asymmetric Conjugate Addition of Phosphonates to Enones Using Cinchona-Diaminomethylenemalononitrile Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02553","","x-ray","0.71073","MoKα","K-L~3~","0.0341","0.0322","","","0.0779","0.0796","","","","","","1.036","","","","has coordinates,has disorder","247869","2020-10-21","18:00:00",""
"4037892","15.549","0.008","11.015","0.006","17.36","0.009","90","","95.236","0.008","90","","2961","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Pirovano, Valentina; Brambilla, Elisa; Moretti, Andrea; Rizzato, Silvia; Abbiati, Giorgio; Nava, Donatella; Rossi, Elisabetta","Synthesis of cyclohepta[b]indoles by (4+3) cycloaddition of 2-vinylindoles or 4H-furo[3,2-b]indoles with oxyallyl cations.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03117","","x-ray","0.71073","MoKα","","0.0643","0.0469","","","0.1252","0.1399","","","","","","1.056","","","","has coordinates","247920","2020-10-21","18:00:00",""
"4037896","5.3666","0.0002","9.7979","0.0005","12.3394","0.0006","112.818","0.005","94.908","0.004","92.972","0.004","593.29","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H12 O4 -","- C14 H12 O4 -","- C28 H24 O8 -","2","1","","Kumar, Anil; Prabhu, Kandikere Ramaiah","Rhodium(III)-Catalyzed C-H Activation: A Cascade Approach for the Regioselective Synthesis of Fused Heterocyclic Lactone Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03266","","x-ray","0.71073","MoKα","","0.053","0.0412","","","0.1131","0.121","","","","","","1.095","","","","has coordinates","248006","2020-10-21","18:00:00",""
"4037897","7.6463","0.0011","11.753","0.002","12.203","0.003","117.17","0.02","100.016","0.017","90.347","0.015","956.2","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","2","","Kumar, Anil; Prabhu, Kandikere Ramaiah","Rhodium(III)-Catalyzed C-H Activation: A Cascade Approach for the Regioselective Synthesis of Fused Heterocyclic Lactone Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03266","","x-ray","0.71073","MoKα","","0.1158","0.0826","","","0.2479","0.2708","","","","","","1.06","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037898","19.0731","0.0005","42.4808","0.0013","7.1555","0.0002","90","","90","","90","","5797.7","0.3","200","2","200","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C63 H74 Cl2 O12 -","- C63 H74 Cl2 O12 -","- C252 H296 Cl8 O48 -","4","1","","Wagner, Philippe; Rominger, Frank; Oeser, Thomas; Mastalerz, Michael","Solvent Controlled Racemic Resolution of C3-Symmetric Trihydroxytribenzotriquinacenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03410","","","1.54178","CuKα","","0.0743","0.0473","","","0.0988","0.1111","","","","","","1.037","","","","has coordinates,has disorder","248009","2020-10-21","18:00:00",""
"4037899","11.2613","0.0002","11.2613","0.0002","24.166","0.0009","90","","90","","120","","2654.07","0.12","200","2","200","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C33 H33 Cl3 D I3 O3 -","- C33 H32.9997 Cl3 D I3 O3 -","- C99 H98.9991 Cl9 D3 I9 O9 -","3","0.333333","","Wagner, Philippe; Rominger, Frank; Oeser, Thomas; Mastalerz, Michael","Solvent Controlled Racemic Resolution of C3-Symmetric Trihydroxytribenzotriquinacenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03410","","","1.54178","CuKα","","0.0644","0.0587","","","0.1411","0.1463","","","","","","1.094","","","","has coordinates,has disorder","248009","2020-10-21","18:00:00",""
"4037900","16.4649","0.0009","16.4724","0.0009","16.8345","0.0009","85.833","0.004","65.957","0.004","65.08","0.004","3754.3","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H33 F9 O9 S3 -","- C35 H33 F9 O9 S3 -","- C140 H132 F36 O36 S12 -","4","2","","Wagner, Philippe; Rominger, Frank; Oeser, Thomas; Mastalerz, Michael","Solvent Controlled Racemic Resolution of C3-Symmetric Trihydroxytribenzotriquinacenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03410","","","1.54178","CuKα","","0.1671","0.0758","","","0.1635","0.2061","","","","","","1.03","","","","has coordinates,has disorder","248009","2020-10-21","18:00:00",""
"4037901","10.0964","0.0009","11.2035","0.001","15.5435","0.0014","81.8372","0.0015","83.712","0.0015","64.6173","0.0013","1570.1","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 Br6 O3 -","- C32 H30 Br6 O3 -","- C64 H60 Br12 O6 -","2","1","","Wagner, Philippe; Rominger, Frank; Oeser, Thomas; Mastalerz, Michael","Solvent Controlled Racemic Resolution of C3-Symmetric Trihydroxytribenzotriquinacenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03410","","","0.71073","MoKα","","0.0642","0.0377","","","0.0897","0.0999","","","","","","1.02","","","","has coordinates","248009","2020-10-21","18:00:00",""
"4037902","11.2774","0.0005","11.2774","0.0005","24.1597","0.0016","90","","90","","120","","2661","0.2","200","2","200","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C33 H34 Cl3 I3 O3 -","- C33 H33.9997 Cl3 I3 O3 -","- C99 H101.999 Cl9 I9 O9 -","3","0.333333","","Wagner, Philippe; Rominger, Frank; Oeser, Thomas; Mastalerz, Michael","Solvent Controlled Racemic Resolution of C3-Symmetric Trihydroxytribenzotriquinacenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03410","","","0.71073","MoKα","","0.0242","0.0224","","","0.0463","0.0472","","","","","","1.069","","","","has coordinates,has disorder","248009","2020-10-21","18:00:00",""
"4037903","7.6901","0.0006","8.959","0.0006","15.0201","0.0011","82.501","0.006","89.134","0.006","82.478","0.006","1017.14","0.13","293","2","293","2","","","","","","","Synthesize","3","P -1","-P 1","2","","","","- C25 H28 O -","- C25 H28 O -","- C50 H56 O2 -","2","1","","Jesin, Irfana; Mercy, A. Antony Haritha; S, Ravindra; Kataria, Ramesh; Nandi, Ganesh Chandra","A mild and metal-free protocol towards the synthesis of triarylmethanes by reactions of (hetero)arylboronic acids and ortho-hydroxyarylaldehydes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02807","","x-ray","0.71073","MoKα","","0.1358","0.0685","","","0.172","0.21","","","","","","1","","","","has coordinates","248010","2020-10-21","18:00:00",""
"4037904","20.0913","0.0009","5.7683","0.0003","8.6111","0.0003","90","","100.739","0.001","90","","980.49","0.08","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dibenzyl (2,5-dioxopiperazine-1,4-diyl)dicarbamate","","- C20 H20 N4 O6 -","- C20 H20 N4 O6 -","- C40 H40 N8 O12 -","2","0.5","","Rahim, Abdur; Sahariah, Biswajit; Baruah, Kalpita; Deka, Jugal Kishore Rai; Sarma, Bani Kanta","Solid-phase Synthesis of Hybrid 2,5-Diketopiperazines Using Acylhydrazide, Carbazate, Semicarbazide, Amino Acid and Primary Amine Submonomers.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02083","","","0.71073","MoKα","","0.0502","0.0414","","","0.1259","0.1391","","","","","","0.836","","","","has coordinates","248053","2020-10-21","18:00:00",""
"4037905","5.8031","0.0006","11.3443","0.0009","22.168","0.003","90","","90","","90","","1459.4","0.3","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-4-methoxy-N-(3-methyl-2,5-dioxopiperazin-1-yl)benzamide","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C52 H68 N12 O20 -","4","1","","Rahim, Abdur; Sahariah, Biswajit; Baruah, Kalpita; Deka, Jugal Kishore Rai; Sarma, Bani Kanta","Solid-phase Synthesis of Hybrid 2,5-Diketopiperazines Using Acylhydrazide, Carbazate, Semicarbazide, Amino Acid and Primary Amine Submonomers.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02083","","","0.71073","MoKα","","0.0933","0.0548","","","0.1391","0.1728","","","","","","0.885","","","","has coordinates","248054","2020-10-21","18:00:00",""
"4037906","5.9113","0.0004","8.836","0.0005","30.1022","0.0019","90","","91.803","0.002","90","","1571.53","0.17","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-isobutyl-2,5-dioxopiperazin-1-yl)benzamide","","- C15 H19 N3 O3 -","- C15 H19 N3 O3 -","- C60 H76 N12 O12 -","4","1","","Rahim, Abdur; Sahariah, Biswajit; Baruah, Kalpita; Deka, Jugal Kishore Rai; Sarma, Bani Kanta","Solid-phase Synthesis of Hybrid 2,5-Diketopiperazines Using Acylhydrazide, Carbazate, Semicarbazide, Amino Acid and Primary Amine Submonomers.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02083","","","0.71073","MoKα","","0.1427","0.0548","","","0.1444","0.2031","","","","","","1.008","","","","has coordinates","248055","2020-10-21","18:00:00",""
"4037907","9.6068","0.0006","6.5971","0.0004","20.956","0.0014","90","","99.521","0.003","90","","1309.83","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","2","","Vázquez-Amaya, Laura Y; Quintero, Leticia; Rodríguez-Molina, Braulio; Sartillo-Piscil, Fernando","Transition-Metal-Free Total Synthesis and Revision of the Absolute Configuration of Pipermethystine.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03218","","","1.54178","CuKα","","0.045","0.0394","","","0.0874","0.0914","","","","","","1.081","","","","has coordinates","248093","2020-10-21","18:00:00",""
"4037908","9.411","0.0005","13.234","0.0006","14.8269","0.0007","87.531","0.003","74.064","0.003","87.739","0.003","1773.27","0.15","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H16 O2 -","- C25 H16 O2 -","- C100 H64 O8 -","4","2","","Maeng, Chanyoung; Son, Jeong-Yu; Lee, Seung Cheol; Baek, Yonghyeon; Um, Kyusik; Han, Sang Hoon; Ko, Gi Hoon; Han, Gi Uk; Lee, Kyungsup; Lee, Kooyeon; Lee, Phil Ho","Expansion of Azulenes as Nonbenzenoid Aromatic Compounds for C‒H Activation: Rhodium- and Iridium-Catalyzed Oxidative Cyclization of Azulene Carboxylic Acids with Alkynes for the Synthesis of Azulenolactones and Benzoazulenes","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03448","","","0.71073","MoKα","","0.0635","0.0392","","","0.086","0.0963","","","","","","1.013","","","","has coordinates","248094","2020-10-21","18:00:00",""
"4037909","13.208","0.004","14.175","0.004","16.004","0.005","92.418","0.003","106.431","0.003","112.587","0.003","2614.7","1.4","120","2","120","2","","","","","","","","2","P -1","-P 1","2","","","","- C38 H26 -","- C38 H26 -","- C152 H104 -","4","2","","Maeng, Chanyoung; Son, Jeong-Yu; Lee, Seung Cheol; Baek, Yonghyeon; Um, Kyusik; Han, Sang Hoon; Ko, Gi Hoon; Han, Gi Uk; Lee, Kyungsup; Lee, Kooyeon; Lee, Phil Ho","Expansion of Azulenes as Nonbenzenoid Aromatic Compounds for C‒H Activation: Rhodium- and Iridium-Catalyzed Oxidative Cyclization of Azulene Carboxylic Acids with Alkynes for the Synthesis of Azulenolactones and Benzoazulenes","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03448","","","0.71073","MoKα","","0.1422","0.0678","","","0.1481","0.1971","","","","","","1.057","","","","has coordinates,has disorder","248095","2020-10-21","18:00:00",""
"4037910","13.916","0.003","13.548","0.003","18.394","0.004","90","","92.99","0.03","90","","3463.2","1.3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H31 Cl2 N O4 S -","- C41 H31 Cl2 N O4 S -","- C164 H124 Cl8 N4 O16 S4 -","4","1","","Maeng, Chanyoung; Son, Jeong-Yu; Lee, Seung Cheol; Baek, Yonghyeon; Um, Kyusik; Han, Sang Hoon; Ko, Gi Hoon; Han, Gi Uk; Lee, Kyungsup; Lee, Kooyeon; Lee, Phil Ho","Expansion of Azulenes as Nonbenzenoid Aromatic Compounds for C‒H Activation: Rhodium- and Iridium-Catalyzed Oxidative Cyclization of Azulene Carboxylic Acids with Alkynes for the Synthesis of Azulenolactones and Benzoazulenes","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03448","","","0.73","synchrotron","","0.1227","0.0967","","","0.2819","0.3061","","","","","","1.106","","","","has coordinates,has disorder","248096","2020-10-21","18:00:00",""
"4037911","4.947","0.006","21.64","0.03","11.754","0.014","90","","100.195","0.018","90","","1238","3","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","","Bian, Qilong; Wu, Cunluo; Yuan, Jiangpei; Shi, Zuodong; Ding, Tao; Huang, Yongwei; Xu, Yuanqing; Xu, Hao","Iron Nitrate-Mediated Selective Synthesis of 3-Acyl-1,2,4-Oxadiazoles from Alkynes and Nitriles: The Dual Roles of Iron Nitrate.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03070","","","0.71073","MoKα","","0.1252","0.0509","","","0.1173","0.1462","","","","","","1.015","","","","has coordinates","248097","2020-10-21","18:00:00",""
"4037912","29.091","0.009","8.713","0.003","17.546","0.006","90","","102.525","0.012","90","","4342","3","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H25 N3 O -","- C28 H25 N3 O -","- C224 H200 N24 O8 -","8","1","","Qu, Yangyang; Pander, Piotr Henryk; Vybornyi, Oleh; Vasylieva, Marharyta; Guillot, Régis; Miomandre, Fabien; Dias, Fernando B.; Skabara, Peter J.; Data, Przemyslaw; Clavier, Gilles; Audebert, Pierre","Donor-acceptor 1,2,4,5-Tetrazines Prepared by Buchwald-Hartwig Cross-Coupling Reaction and Their Photoluminescence Turn-on Property by Inverse Electron Demand Diels-Alder Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02817","","x-ray","0.71073","MoKα","","0.1131","0.0588","","","0.1141","0.1305","","","","","","1.013","","","","has coordinates,has disorder","248098","2020-10-21","18:00:00",""
"4037913","9.7253","0.0006","7.5932","0.0005","21.9133","0.0011","90","","92.088","0.002","90","","1617.14","0.17","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 N5 S -","- C20 H13 N5 S -","- C80 H52 N20 S4 -","4","1","","Qu, Yangyang; Pander, Piotr Henryk; Vybornyi, Oleh; Vasylieva, Marharyta; Guillot, Régis; Miomandre, Fabien; Dias, Fernando B.; Skabara, Peter J.; Data, Przemyslaw; Clavier, Gilles; Audebert, Pierre","Donor-acceptor 1,2,4,5-Tetrazines Prepared by Buchwald-Hartwig Cross-Coupling Reaction and Their Photoluminescence Turn-on Property by Inverse Electron Demand Diels-Alder Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02817","","x-ray","0.71073","MoKα","","0.0623","0.0391","","","0.0915","0.0975","","","","","","1.05","","","","has coordinates","248099","2020-10-21","18:00:00",""
"4037914","14.502","0.005","11.158","0.004","15.629","0.006","90","","116.616","0.009","90","","2261","1.4","250","1","250","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N3 S -","- C28 H25 N3 S -","- C112 H100 N12 S4 -","4","1","","Qu, Yangyang; Pander, Piotr Henryk; Vybornyi, Oleh; Vasylieva, Marharyta; Guillot, Régis; Miomandre, Fabien; Dias, Fernando B.; Skabara, Peter J.; Data, Przemyslaw; Clavier, Gilles; Audebert, Pierre","Donor-acceptor 1,2,4,5-Tetrazines Prepared by Buchwald-Hartwig Cross-Coupling Reaction and Their Photoluminescence Turn-on Property by Inverse Electron Demand Diels-Alder Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02817","","x-ray","0.71073","MoKα","","0.1904","0.0534","","","0.0991","0.118","","","","","","0.897","","","","has coordinates","248100","2020-10-21","18:00:00",""
"4037915","7.8191","0.0007","8.211","0.0008","13.3817","0.0013","80.524","0.003","73.188","0.003","67.372","0.003","757.73","0.13","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H13 N5 O -","- C20 H13 N5 O -","- C40 H26 N10 O2 -","2","1","","Qu, Yangyang; Pander, Piotr Henryk; Vybornyi, Oleh; Vasylieva, Marharyta; Guillot, Régis; Miomandre, Fabien; Dias, Fernando B.; Skabara, Peter J.; Data, Przemyslaw; Clavier, Gilles; Audebert, Pierre","Donor-acceptor 1,2,4,5-Tetrazines Prepared by Buchwald-Hartwig Cross-Coupling Reaction and Their Photoluminescence Turn-on Property by Inverse Electron Demand Diels-Alder Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02817","","x-ray","0.71073","MoKα","","0.0493","0.0423","","","0.1187","0.1234","","","","","","1.083","","","","has coordinates","248101","2020-10-21","18:00:00",""
"4037916","4.6446","0.0008","8.456","0.002","10.71","0.0016","89.422","0.018","86.974","0.013","80.489","0.018","414.27","0.14","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C16 H18 N2 O6 -","2","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","1.54184","CuKα","","0.103","0.0872","","","0.2302","0.2656","","","","","","1.061","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037917","18.5157","0.001","9.4421","0.0005","7.9012","0.0004","90","","101.918","0.005","90","","1351.57","0.13","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C56 H72 N8 O16 -","8","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","0.71073","MoKα","","0.0572","0.0473","","","0.1089","0.1168","","","","","","1.061","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037918","6.9199","0.0004","7.5328","0.0005","7.9552","0.0005","96.283","0.006","97.67","0.005","109.017","0.006","383.32","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C16 H18 N2 O6 -","2","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","","1.54184","CuKα","","0.0551","0.0541","","0.1519","0.1504","0.1519","","","","","","1.0043","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037919","5.6345","0.0004","6.4841","0.0005","25.9775","0.0017","90","","95.661","0.007","90","","944.45","0.12","150","0.1","150","0.1","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C8 H13 N O4 -","- C8 H13 N O4 -","- C32 H52 N4 O16 -","4","0.5","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","0.71073","MoKα","","0.0445","0.0394","","","0.1005","0.1044","","","","","","1.06","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037920","6.816","0.0004","11.4782","0.0005","11.3108","0.0005","90","","102.768","0.005","90","","863.02","0.08","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O4 -","- C8 H11 N O4 -","- C32 H44 N4 O16 -","4","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","0.71073","MoKα","","0.0941","0.0604","","","0.1245","0.148","","","","","","1.08","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037921","3.8928","0.001","9.3628","0.0016","10.7006","0.0014","81.053","0.012","83.731","0.016","79.026","0.018","376.94","0.13","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C16 H18 N2 O6 -","2","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","1.54184","CuKα","","0.0813","0.0649","","","0.1636","0.176","","","","","","1.029","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037922","3.7878","0.0003","9.6277","0.0008","10.3407","0.0008","63.995","0.008","84.352","0.007","80.203","0.007","333.86","0.05","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C14 H14 N2 O6 -","2","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","1.54184","CuKα","","0.0407","0.0362","","","0.0947","0.0985","","","","","","1.051","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037923","6.225","0.0014","7.862","0.003","8.7433","0.0018","103.85","0.02","94.753","0.018","95.55","0.02","411","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C7 H6 F3 N O3 -","- C7 H6 F3 N O3 -","- C14 H12 F6 N2 O6 -","2","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","1.54184","CuKα","","0.1294","0.0856","","","0.2063","0.2456","","","","","","1.024","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037924","6.5474","0.0007","7.2418","0.0007","7.6043","0.0007","77.401","0.008","85.073","0.008","78.699","0.009","344.7","0.06","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C16 H14 N2 O4 -","2","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","1.54184","CuKα","","0.0564","0.045","","","0.1118","0.1211","","","","","","1.051","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037925","9.652","0.0004","9.3307","0.0005","13.2182","0.0006","90","","90","","90","","1190.43","0.1","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C48 H56 N8 O16 -","8","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","1.54184","CuKα","","0.0504","0.0464","","","0.1286","0.133","","","","","","1.082","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037926","7.9702","0.0003","9.4474","0.0003","12.8774","0.0004","90","","99.231","0.003","90","","957.08","0.06","109.85","0.1","109.85","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H25 N3 -","- C24 H25 N3 -","- C48 H50 N6 -","2","1","","Chen, Yang; Li, Siqi; Hou, Shili; Xu, Jiaxi; Yang, Zhanhui","Chiral Synthesis of McGeachin-Type Bisaminals.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03362","","x-ray","1.54184","CuKα","","0.0329","0.0323","","","0.0857","0.0863","","","","","","1.033","","","","has coordinates","248141","2020-10-21","18:00:00",""
"4037927","5.449","0.005","13.428","0.012","18.08","0.017","89.11","0.02","89.82","0.03","89.99","0.03","1323","2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","2","","Chaudhari, Moreshwar Bhagwan; Jayan, Krishna; Gnanaprakasam, Boopathy","Sn-Catalyzed Criegee-Type Rearrangement of Peroxyoxindoles Enabled by Catalytic Dual Activation of Esters and Peroxides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03160","","","0.71073","MoKα","","0.2965","0.0828","","","0.1505","0.2277","","","","","","0.91","","","","has coordinates","248180","2020-10-21","18:00:00",""
"4037928","5.518","0.009","12.69","0.02","15.56","0.03","73.19","0.05","90","","90","","1043","3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","2","","Chaudhari, Moreshwar Bhagwan; Jayan, Krishna; Gnanaprakasam, Boopathy","Sn-Catalyzed Criegee-Type Rearrangement of Peroxyoxindoles Enabled by Catalytic Dual Activation of Esters and Peroxides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03160","","","0.71073","MoKα","","0.2583","0.1451","","","0.3266","0.4302","","","","","","0.919","","","","has coordinates","248181","2020-10-21","18:00:00",""
"4037929","17.669","0.002","10.1689","0.0013","18.228","0.002","90","","90","","90","","3275.1","0.7","297.15","","297.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N,1,3-triphenylprop-2-en-1-imine","","- C21 H17 N -","- C21 H17 N -","- C168 H136 N8 -","8","1","","Schmidt, Elena Yu; Bidusenko, Ivan A.; Protsuk, Nadezhda I.; Demyanov, Yan; Ushakov, Igor A.; Vashchenko, Alexander Valentine; Trofimov, Boris A.","Transition Metal-Free Superbase-Catalyzed C-H Vinylation of Aldimines with Acetylenes to 1-Azadienes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03192","","x-ray","0.71073","MoKα","","0.1288","0.0602","","","0.1205","0.1433","","","","","","1.102","","","","has coordinates","248182","2020-10-21","18:00:00",""
"4037930","7.2002","0.0013","12.128","0.003","14.45","0.003","83.283","0.014","85.532","0.008","84.093","0.013","1243.7","0.5","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H22 N6 -","- C34 H22 N6 -","- C68 H44 N12 -","2","1","","Umetani, Masataka; Kim, Gakhyun; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","Rational Synthesis of 5,10-Diazaporphyrins via Nucleophilic Substitution Reactions of α,α'-Dibromotripyrrin and Dihydrogenation to Give 5,10-Diazachlorins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03467","","","1.54187","CuKα","","0.0507","0.0355","","","0.0855","0.0929","","","","","","1.003","","","","has coordinates","248183","2020-10-21","18:00:00",""
"4037931","16.563","0.005","9.251","0.002","19.834","0.005","90","","93.794","0.009","90","","3032.4","1.4","93","2","93","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C38 H30 N6 O2 Zn -","- C38 H30 N6 O2 Zn -","- C152 H120 N24 O8 Zn4 -","4","1","","Umetani, Masataka; Kim, Gakhyun; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","Rational Synthesis of 5,10-Diazaporphyrins via Nucleophilic Substitution Reactions of α,α'-Dibromotripyrrin and Dihydrogenation to Give 5,10-Diazachlorins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03467","","","1.54187","CuKα","","0.0985","0.0543","","","0.1293","0.1556","","","","","","1.007","","","","has coordinates","248183","2020-10-21","18:00:00",""
"4037932","11.8237","0.0003","7.5942","0.0001","31.358","0.0007","90","","98.836","0.002","90","","2782.27","0.1","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 N6 S2 -","- C34 H28 N6 S2 -","- C136 H112 N24 S8 -","4","1","","Umetani, Masataka; Kim, Gakhyun; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","Rational Synthesis of 5,10-Diazaporphyrins via Nucleophilic Substitution Reactions of α,α'-Dibromotripyrrin and Dihydrogenation to Give 5,10-Diazachlorins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03467","","","1.54184","CuKα","","0.0748","0.0656","","","0.1804","0.1892","","","","","","1.02","","","","has coordinates","248183","2020-10-21","18:00:00",""
"4037933","7.1722","0.0001","12.1545","0.0002","12.7903","0.0002","88.7385","0.0015","88.2632","0.0014","85.3929","0.0014","1110.66","0.03","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 N6 -","- C30 H20 N6 -","- C60 H40 N12 -","2","1","","Umetani, Masataka; Kim, Gakhyun; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","Rational Synthesis of 5,10-Diazaporphyrins via Nucleophilic Substitution Reactions of α,α'-Dibromotripyrrin and Dihydrogenation to Give 5,10-Diazachlorins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03467","","","1.54184","CuKα","","0.0425","0.0375","","","0.1012","0.1048","","","","","","1.056","","","","has coordinates","248183","2020-10-21","18:00:00",""
"4037934","6.9194","0.0002","20.1673","0.0005","20.3722","0.0007","62.739","0.003","85.551","0.002","87.33","0.002","2519.28","0.15","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H44 N12 O2.5 Zn2 -","- C62 H44 N12 O2.5 Zn2 -","- C124 H88 N24 O5 Zn4 -","2","1","","Umetani, Masataka; Kim, Gakhyun; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","Rational Synthesis of 5,10-Diazaporphyrins via Nucleophilic Substitution Reactions of α,α'-Dibromotripyrrin and Dihydrogenation to Give 5,10-Diazachlorins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03467","","","1.54184","CuKα","","0.0519","0.0403","","","0.1046","0.1115","","","","","","1.039","","","","has coordinates,has disorder","248183","2020-10-21","18:00:00",""
"4037935","7.084","0.0003","12.3593","0.0006","12.9315","0.0007","89.408","0.004","89.035","0.004","83.887","0.004","1125.56","0.1","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 N6 -","- C30 H22 N6 -","- C60 H44 N12 -","2","1","","Umetani, Masataka; Kim, Gakhyun; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","Rational Synthesis of 5,10-Diazaporphyrins via Nucleophilic Substitution Reactions of α,α'-Dibromotripyrrin and Dihydrogenation to Give 5,10-Diazachlorins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03467","","","1.54184","CuKα","","0.0533","0.0418","","","0.1095","0.1171","","","","","","1.026","","","","has coordinates,has disorder","248183","2020-10-21","18:00:00",""
"4037936","7.1923","0.0002","12.3366","0.0004","12.7515","0.0003","89.057","0.002","88.165","0.002","83.635","0.002","1123.78","0.05","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 N6 -","- C30 H22 N6 -","- C60 H44 N12 -","2","1","","Umetani, Masataka; Kim, Gakhyun; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","Rational Synthesis of 5,10-Diazaporphyrins via Nucleophilic Substitution Reactions of α,α'-Dibromotripyrrin and Dihydrogenation to Give 5,10-Diazachlorins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03467","","","1.54184","CuKα","","0.0563","0.0466","","","0.1257","0.1327","","","","","","1.033","","","","has coordinates","248183","2020-10-21","18:00:00",""
"4037937","5.9601","0.0002","17.5009","0.0006","29.1554","0.0008","90","","90","","90","","3041.12","0.17","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H43 F2 N O6 S -","- C31 H43 F2 N O6 S -","- C124 H172 F8 N4 O24 S4 -","4","1","","Nicolaou, K. C.; Shelke, Yogesh G.; Dherange, Balu D.; Kempema, Aaron; Lin, Baiwei; Gu, Christine; Sandoval, Joseph; Hammond, Mikhail; Aujay, Monette; Gavrilyuk, Julia","Design, Synthesis, and Biological Investigation of Epothilone B Analogues Featuring Lactone, Lactam, and Carbocyclic Macrocycles, Epoxide, Aziridine, and 1,1-Difluorocyclopropane and Other Fluorine Residues","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00123","","x-ray","1.54178","CuKα","","0.0624","0.0594","","","0.1648","0.169","","","","","","1.072","","","","has coordinates","248241","2020-10-21","18:00:00",""
"4037938","5.8864","0.0002","17.578","0.0004","29.0647","0.0007","90","","90","","90","","3007.36","0.14","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 F5 N O6 S -","- C28 H40 F5 N O6 S -","- C112 H160 F20 N4 O24 S4 -","4","1","","Nicolaou, K. C.; Shelke, Yogesh G.; Dherange, Balu D.; Kempema, Aaron; Lin, Baiwei; Gu, Christine; Sandoval, Joseph; Hammond, Mikhail; Aujay, Monette; Gavrilyuk, Julia","Design, Synthesis, and Biological Investigation of Epothilone B Analogues Featuring Lactone, Lactam, and Carbocyclic Macrocycles, Epoxide, Aziridine, and 1,1-Difluorocyclopropane and Other Fluorine Residues","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00123","","x-ray","1.54178","CuKα","","0.0277","0.0267","","","0.0669","0.0675","","","","","","1.063","","","","has coordinates","248242","2020-10-21","18:00:00",""
"4037939","14.7777","0.0003","6.0257","0.0001","15.3581","0.0003","90","","99.641","0.001","90","","1348.26","0.04","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H43 N O5 S -","- C28 H43 N O5 S -","- C56 H86 N2 O10 S2 -","2","1","","Nicolaou, K. C.; Shelke, Yogesh G.; Dherange, Balu D.; Kempema, Aaron; Lin, Baiwei; Gu, Christine; Sandoval, Joseph; Hammond, Mikhail; Aujay, Monette; Gavrilyuk, Julia","Design, Synthesis, and Biological Investigation of Epothilone B Analogues Featuring Lactone, Lactam, and Carbocyclic Macrocycles, Epoxide, Aziridine, and 1,1-Difluorocyclopropane and Other Fluorine Residues","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00123","","","1.54178","CuKα","","0.0257","0.0251","","","0.0646","0.0649","","","","","","1.049","","","","has coordinates","248243","2020-10-21","18:00:00",""
"4037940","6.742","0.0001","21.9829","0.0003","9.798","0.0002","90","","94.208","0.001","90","","1448.23","0.04","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H46 N2 O5 S -","- C29 H46 N2 O5 S -","- C58 H92 N4 O10 S2 -","2","1","","Nicolaou, K. C.; Shelke, Yogesh G.; Dherange, Balu D.; Kempema, Aaron; Lin, Baiwei; Gu, Christine; Sandoval, Joseph; Hammond, Mikhail; Aujay, Monette; Gavrilyuk, Julia","Design, Synthesis, and Biological Investigation of Epothilone B Analogues Featuring Lactone, Lactam, and Carbocyclic Macrocycles, Epoxide, Aziridine, and 1,1-Difluorocyclopropane and Other Fluorine Residues","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00123","","x-ray","1.54178","CuKα","","0.0234","0.0233","","","0.0603","0.0604","","","","","","1.032","","","","has coordinates","248244","2020-10-21","18:00:00",""
"4037941","9.0479","0.0002","17.6034","0.0005","19.2922","0.0005","90","","90","","90","","3072.74","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H47 N3 O5 S -","- C30 H47 N3 O5 S -","- C120 H188 N12 O20 S4 -","4","1","","Nicolaou, K. C.; Shelke, Yogesh G.; Dherange, Balu D.; Kempema, Aaron; Lin, Baiwei; Gu, Christine; Sandoval, Joseph; Hammond, Mikhail; Aujay, Monette; Gavrilyuk, Julia","Design, Synthesis, and Biological Investigation of Epothilone B Analogues Featuring Lactone, Lactam, and Carbocyclic Macrocycles, Epoxide, Aziridine, and 1,1-Difluorocyclopropane and Other Fluorine Residues","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00123","","x-ray","1.54178","CuKα","","0.0313","0.0298","","","0.0748","0.0759","","","","","","1.034","","","","has coordinates","248245","2020-10-21","18:00:00",""
"4037942","10.066","0.0007","13.5727","0.0011","25.2821","0.0017","90","","90","","90","","3454.1","0.4","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N4 -","- C21 H18 N4 -","- C168 H144 N32 -","8","1","","Sar, Saibal; Tripathi, Ankita; Dubey, Kshatresh Dutta; Sen, Subhabrata","Iodine-Catalyzed Aerobic Diazenylation-Amination of Indole Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03392","","","0.71073","MoKα","","0.115","0.0542","","","0.1156","0.1459","","","","","","1.013","","","","has coordinates","248263","2020-10-21","18:00:00",""
"4037943","9.885","0.005","13.354","0.007","21.226","0.01","90","","96.21","0.006","90","","2785","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N Se -","- C18 H13 N Se -","- C144 H104 N8 Se8 -","8","2","","Chen, Wenqi; Zhu, Xiaoming; Wang, Fei; Yang, Yuan; Deng, Guobo; Liang, Yun","Iodine-Catalyzed Three-Component Cascade Reaction for the Synthesis of Substituted 2-Phenylnaphtho[1,3]selenazoles under Transition-Metal-Free Conditions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03154","","","0.71073","MoKα","","0.0553","0.0414","","","0.1038","0.1082","","","","","","1.051","","","","has coordinates","248296","2020-10-21","18:00:00",""
"4037944","12.0249","0.0011","7.4099","0.0006","13.555","0.0012","90","","113.483","0.003","90","","1107.76","0.17","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","JA-TFG-1","","","- C23 H29 N3 O5 -","- C23 H29 N3 O5 -","- C46 H58 N6 O10 -","2","1","","Navo, Claudio D.; Mazo, Nuria; Oroz, Paula; Gutiérrez-Jiménez, Marta I; Marín, Javier; Asenjo, Juan; Avenoza, Alberto; Busto, Jesús H; Corzana, Francisco; Zurbano, María M; Jiménez-Osés, Gonzalo; Peregrina, Jesús M","Synthesis of <i>N</i><i> <sub>β</sub> </i>-Substituted α,β-Diamino Acids via Stereoselective <i>N</i>-Michael Additions to a Chiral Bicyclic Dehydroalanine.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03020","","x-ray","0.71076","MoKα","","0.0522","0.0389","","","0.1007","0.1055","","","","","","1.062","","","","has coordinates","248297","2020-10-21","18:00:00",""
"4037945","10.60302","0.00019","10.85734","0.00019","24.9687","0.0004","90","","90","","90","","2874.41","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 F N3 O5 -","- C28 H32 F N3 O5 -","- C112 H128 F4 N12 O20 -","4","1","","Li, Zhanhuan; Peng, Jingyi; He, Chonglong; Xu, Jianfeng; Ren, Hongjun","Squaramide-Catalyzed Asymmetric Mannich Reactions of Azlactones with Isatin-Derived Ketimines: Access to α,β-Diamino Acid Derivatives Bearing Vicinal Quaternary Stereocenters.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03000","","","1.54184","CuKα","","0.0398","0.039","","","0.1089","0.1102","","","","","","1.022","","","","has coordinates","248298","2020-10-21","18:00:00",""
"4037946","11.7641","0.0012","15.9708","0.0017","9.3316","0.001","90","","101.481","0.001","90","","1718.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Br N2 -","- C20 H17 Br N2 -","- C80 H68 Br4 N8 -","4","1","","Shen, Xuanyu; Shatskiy, Andrey; Chen, Yan; Kärkäs, Markus D; Wang, Xiang-Shan; Liu, Jian-Quan","Silver-Assisted [3 + 2] Annulation of Nitrones with Isocyanides: Synthesis of 2,3,4-Trisubstituted 1,2,4-Oxadiazolidin-5-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03279","","","0.71073","MoKα","","0.0436","0.0336","","","0.0858","0.0905","","","","","","1.032","","","","has coordinates","248348","2020-10-21","18:00:00",""
"4037947","17.9016","0.0014","6.3035","0.0005","17.9016","0.0014","90","","119.03","","90","","1766.3","0.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Br N2 O2 -","- C20 H15 Br N2 O2 -","- C80 H60 Br4 N8 O8 -","4","1","","Shen, Xuanyu; Shatskiy, Andrey; Chen, Yan; Kärkäs, Markus D; Wang, Xiang-Shan; Liu, Jian-Quan","Silver-Assisted [3 + 2] Annulation of Nitrones with Isocyanides: Synthesis of 2,3,4-Trisubstituted 1,2,4-Oxadiazolidin-5-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03279","","","0.71073","MoKα","","0.047","0.0364","","","0.0902","0.0965","","","","","","1.052","","","","has coordinates","248349","2020-10-21","18:00:00",""
"4037948","7.797","0.0004","8.5423","0.0004","9.3211","0.0004","96.609","0.004","93.905","0.004","91.966","0.004","614.71","0.05","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N3 O4 -","- C12 H13 N3 O4 -","- C24 H26 N6 O8 -","2","1","","Pan, Zhengbing; Mao, Kaimin; Zhu, Guangzhou; Wang, Chang; Zhang, Jinpeng; Rong, Liangce","Copper-catalyzed Annulation Reaction of Alkenes and N-alkyl(aryl)-1- (methylthio)-2-nitroethenamine: an Approach for the Synthesis of Isoxazole Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03157","","x-ray","0.71073","MoKα","","0.045","0.0384","","","0.0978","0.1026","","","","","","1.048","","","","has coordinates","248350","2020-10-21","18:00:00",""
"4037949","10.7452","0.0001","8.6766","0.0001","34.0401","0.0003","90","","90","","90","","3173.62","0.05","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C136 H136 N8 O24 S8 -","8","1","","Kramer, Philipp; Ha Aczkiewicz, Miro; Sun, Yu; Kelm, Harald; Manolikakes, Georg","Iron(III)-Mediated Oxy-Sulfonylation of Enamides with Sodium and Lithium Sulfinates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03299","","","1.54184","CuKα","","0.0321","0.0314","","","0.0769","0.0775","","","","","","1.07","","","","has coordinates","248383","2020-10-21","18:00:00",""
"4037950","9.3967","0.0002","14.1104","0.0002","18.2896","0.0004","90","","94.481","0.002","90","","2417.63","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 N O6 S -","- C26 H29 N O6 S -","- C104 H116 N4 O24 S4 -","4","1","","Kramer, Philipp; Ha Aczkiewicz, Miro; Sun, Yu; Kelm, Harald; Manolikakes, Georg","Iron(III)-Mediated Oxy-Sulfonylation of Enamides with Sodium and Lithium Sulfinates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03299","","","1.54184","CuKα","","0.0373","0.0339","","","0.0923","0.094","","","","","","1.061","","","","has coordinates","248384","2020-10-21","18:00:00",""
"4037951","22.723","0.0004","9.998","0.0002","15.819","0.0005","90","","90","","90","","3593.83","0.15","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H21 N O4 S -","- C18 H21 N O4 S -","- C144 H168 N8 O32 S8 -","8","2","","Kramer, Philipp; Ha Aczkiewicz, Miro; Sun, Yu; Kelm, Harald; Manolikakes, Georg","Iron(III)-Mediated Oxy-Sulfonylation of Enamides with Sodium and Lithium Sulfinates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03299","","","1.54184","CuKα","","0.0554","0.0518","","","0.1388","0.1425","","","","","","1.106","","","","has coordinates","248385","2020-10-21","18:00:00",""
"4037952","19.1173","0.0004","20.3155","0.0005","13.0813","0.0003","90","","126.62","0.03","90","","4077.6","1.6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Cl F N2 O4 S -","- C24 H16 Cl F N2 O4 S -","- C192 H128 Cl8 F8 N16 O32 S8 -","8","1","","Luo, Mupeng; Zhu, Xinlei; Liu, Rufeng; Yu, Shunming; Wei, Wanguo","FeCl3-Promoted Annulation of 2-haloindoles: Switchable Synthesis of Spirooxindole-chromeno[2,3-b]indoles and Spirooxindole-chromeno[3,2-b]indoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03300","","","1.54178","CuKα","","0.0364","0.0357","","","0.0938","0.0944","","","","","","1.064","","","","has coordinates","248386","2020-10-21","18:00:00",""
"4037953","9.0783","0.0002","10.2205","0.0002","25.0955","0.0004","90","","90","","90","","2328.48","0.08","170","2","170","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Br2 N2 O4 S -","- C24 H18 Br2 N2 O4 S -","- C96 H72 Br8 N8 O16 S4 -","4","1","","Luo, Mupeng; Zhu, Xinlei; Liu, Rufeng; Yu, Shunming; Wei, Wanguo","FeCl3-Promoted Annulation of 2-haloindoles: Switchable Synthesis of Spirooxindole-chromeno[2,3-b]indoles and Spirooxindole-chromeno[3,2-b]indoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03300","","","1.34139","GaKα","","0.0361","0.0331","","","0.0758","0.0778","","","","","","1.062","","","","has coordinates","248387","2020-10-21","18:00:00",""
"4037954","12.45","0.0013","17.1118","0.0019","20.259","0.002","90","","90","","90","","4316","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H22 N2 O4 S -","- C27 H22 N2 O4 S -","- C216 H176 N16 O32 S8 -","8","1","","Luo, Mupeng; Zhu, Xinlei; Liu, Rufeng; Yu, Shunming; Wei, Wanguo","FeCl3-Promoted Annulation of 2-haloindoles: Switchable Synthesis of Spirooxindole-chromeno[2,3-b]indoles and Spirooxindole-chromeno[3,2-b]indoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03300","","","0.71073","MoKα","","0.0596","0.049","","","0.1171","0.1239","","","","","","1.095","","","","has coordinates","248388","2020-10-21","18:00:00",""
"4037955","8.7367","0.0004","8.7367","0.0004","56.083","0.004","90","","90","","90","","4280.8","0.4","170","2","170","","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H17 Br N2 O4 S -","- C24 H17 Br N2 O4 S -","- C192 H136 Br8 N16 O32 S8 -","8","2","","Luo, Mupeng; Zhu, Xinlei; Liu, Rufeng; Yu, Shunming; Wei, Wanguo","FeCl3-Promoted Annulation of 2-haloindoles: Switchable Synthesis of Spirooxindole-chromeno[2,3-b]indoles and Spirooxindole-chromeno[3,2-b]indoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03300","","","1.34139","GaKα","","0.0891","0.0839","","","0.2309","0.2347","","","","","","1.08","","","","has coordinates","248389","2020-10-21","18:00:00",""
"4037956","17.7095","0.001","9.6147","0.0004","18.3936","0.001","90","","104.458","0.005","90","","3032.7","0.3","293.01","0.1","293.01","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N2 -","- C21 H14 N2 -","- C168 H112 N16 -","8","1","","Shi, Zhaojiang; Wang, Lianhui; Yang, Zi; Jie, Lianghua; Liu, Xiao; Cui, Xiuling","Tandem Construction of Indole-Fused Phthalazines from (2-Alkynylbenzylidene)hydrazines under Metal-Free Conditions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02937","","x-ray","0.71073","MoKα","","0.0812","0.0538","","","0.1244","0.14","","","","","","1.03","","","","has coordinates","248390","2020-10-21","18:00:00",""
"4037957","9.682","0.002","6.4255","0.0014","26.074","0.006","90","","100.179","0.008","90","","1596.6","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H20 Cl2 O5 -","- C13 H18 Cl2 O5 -","- C52 H72 Cl8 O20 -","4","2","","Sunnapu, Ranganayakulu; Banoth, Saikumar Naik; R S, Reyno; Thomas, Aleena; Venugopal, Navyasree; Rajendar, Goreti","Stereoselective Total Synthesis of (-)-(2S,4R)-3'-Methoxyl Citreochlorol: Preparation and Use of New Proline Based Auxiliary for Asymmetric Acetate Aldol Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03227","","","0.71073","MoKα","","0.1381","0.0805","","","0.2178","0.267","","","","","","1.04","","","","has coordinates,has disorder","248423","2020-10-21","18:00:00",""
"4037958","3.999","0.002","18.448","0.01","18.493","0.011","90","","90.662","0.019","90","","1364.2","1.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Han, Xu; Gao, Feng; Li, Chunpu; Fang, Daqing; Xie, Xiong; Zhou, Yu; Liu, Hong","Synthesis of Highly Fused Pyrano[2,3-b]pyridines via Rh(III)-Catalyzed C-H Activation and Intramolecular Cascade Annulation under Room Temperature.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03102","","","0.71073","MoKα","","0.0986","0.059","","","0.1253","0.1434","","","","","","1.074","","","","has coordinates","248439","2020-10-21","18:00:00",""
"4037959","14.42","0.0017","19.703","0.002","10.3796","0.0012","90","","90.12","0.05","90","","2949","0.6","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 N O4 -","- C19 H15 N O4 -","- C152 H120 N8 O32 -","8","1","","Han, Xu; Gao, Feng; Li, Chunpu; Fang, Daqing; Xie, Xiong; Zhou, Yu; Liu, Hong","Synthesis of Highly Fused Pyrano[2,3-b]pyridines via Rh(III)-Catalyzed C-H Activation and Intramolecular Cascade Annulation under Room Temperature.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03102","","","1.54178","CuKα","","0.0377","0.0368","","","0.1027","0.1035","","","","","","0.97","","","","has coordinates","248440","2020-10-21","18:00:00",""
"4037960","10.75286","0.00007","10.8363","0.00007","41.113","0.0003","90","","90","","90","","4790.54","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O7 -","- C27 H26 N2 O7 -","- C216 H208 N16 O56 -","8","2","","Köllmann, Christoph; Sake, Svenja M.; Jones, Peter G.; Pietschmann, Thomas; Werz, Daniel B.","Protecting-Group-Mediated Diastereoselective Synthesis of C4'-Methylated Uridine Analogs and their Activity against the Human Respiratory Syncytial Virus.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03425","","","1.54184","CuKα","","0.0242","0.0238","","","0.0603","0.0605","","","","","","1.021","","","","has coordinates","248464","2020-10-21","18:00:00",""
"4037961","8.35326","0.00014","5.76025","0.00011","11.5435","0.0002","90","","95.1416","0.0016","90","","553.202","0.017","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H14 N2 O6 -","- C10 H14 N2 O6 -","- C20 H28 N4 O12 -","2","1","","Köllmann, Christoph; Sake, Svenja M.; Jones, Peter G.; Pietschmann, Thomas; Werz, Daniel B.","Protecting-Group-Mediated Diastereoselective Synthesis of C4'-Methylated Uridine Analogs and their Activity against the Human Respiratory Syncytial Virus.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03425","","","1.54184","CuKα","","0.0222","0.0221","","","0.0578","0.0579","","","","","","1.065","","","","has coordinates","248465","2020-10-21","18:00:00",""
"4037962","5.99677","0.00007","7.61343","0.00008","20.4686","0.0002","90","","92.4786","0.001","90","","933.64","0.017","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O6 -","- C22 H20 N2 O6 -","- C44 H40 N4 O12 -","2","1","","Köllmann, Christoph; Sake, Svenja M.; Jones, Peter G.; Pietschmann, Thomas; Werz, Daniel B.","Protecting-Group-Mediated Diastereoselective Synthesis of C4'-Methylated Uridine Analogs and their Activity against the Human Respiratory Syncytial Virus.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03425","","","1.54184","CuKα","","0.034","0.0338","","","0.088","0.0882","","","","","","1.028","","","","has coordinates","248466","2020-10-21","18:00:00",""
"4037963","5.9124","0.00008","6.26542","0.00006","40.767","0.0004","90","","90","","90","","1510.16","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O6 -","- C15 H20 N2 O6 -","- C60 H80 N8 O24 -","4","1","","Köllmann, Christoph; Sake, Svenja M.; Jones, Peter G.; Pietschmann, Thomas; Werz, Daniel B.","Protecting-Group-Mediated Diastereoselective Synthesis of C4'-Methylated Uridine Analogs and their Activity against the Human Respiratory Syncytial Virus.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03425","","","1.54184","CuKα","","0.0254","0.0248","","","0.0626","0.063","","","","","","1.042","","","","has coordinates","248467","2020-10-21","18:00:00",""
"4037964","10.8256","0.0014","12.8053","0.0016","19.32","0.003","90","","90","","90","","2678.2","0.6","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 O5 P W -","- C25 H31 O5 P W -","- C100 H124 O20 P4 W4 -","4","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0422","0.031","","","0.0581","0.0609","","","","","","1.01","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037965","12.2859","0.0005","14.0636","0.0006","17.5304","0.0007","90","","101.191","0.001","90","","2971.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H37 O5 P W -","- C31 H37 O5 P W -","- C124 H148 O20 P4 W4 -","4","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0395","0.0279","","","0.061","0.0647","","","","","","1.036","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037966","10.2896","0.0008","19.8717","0.0015","12.6613","0.0009","90","","94.523","0.002","90","","2580.8","0.3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Cl P -","- C28 H36 Cl P -","- C112 H144 Cl4 P4 -","4","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0741","0.0546","","","0.146","0.1577","","","","","","1.029","","","","has coordinates,has disorder","248502","2020-10-21","18:00:00",""
"4037967","11.417","0.0004","18.186","0.0006","12.9321","0.0004","90","","107.046","0.002","90","","2567.13","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H39 O P -","- C29 H39 O P -","- C116 H156 O4 P4 -","4","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0686","0.0481","","","0.1152","0.1259","","","","","","1.044","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037968","11.0637","0.0008","11.4975","0.0008","12.0726","0.0009","85.785","0.002","66.306","0.002","69.68","0.003","1314.82","0.17","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H39 P -","- C29 H39 P -","- C58 H78 P2 -","2","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.082","0.056","","","0.1567","0.1701","","","","","","1.06","","","","has coordinates,has disorder","248502","2020-10-21","18:00:00",""
"4037969","10.921","0.002","11.391","0.002","13.516","0.003","68.762","0.007","77.919","0.007","67.038","0.007","1438.5","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H45 P -","- C35 H45 P -","- C70 H90 P2 -","2","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0804","0.0541","","","0.1162","0.1284","","","","","","1.028","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037970","40.065","0.002","9.2931","0.0004","21.2408","0.0008","90","","100.23","0.001","90","","7782.8","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H51 Cl3 Ir P -","- C38 H51 Cl3 Ir P -","- C304 H408 Cl24 Ir8 P8 -","8","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0595","0.0423","","","0.0978","0.1018","","","","","","1.043","","","","has coordinates,has disorder","248502","2020-10-21","18:00:00",""
"4037971","20.082","0.003","9.348","0.002","21.825","0.003","90","","106.02","0.007","90","","3938","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H56 Cl2 F Ir P -","- C42 H56 Cl2 F Ir P -","- C168 H224 Cl8 F4 Ir4 P4 -","4","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0935","0.0458","","","0.0709","0.0811","","","","","","1.013","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037972","12.2693","0.0006","14.6797","0.0007","18.2478","0.0009","90","","94.529","0.002","90","","3276.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H51 Cl2 O3 P Ru -","- C32 H51 Cl2 O3 P Ru -","- C128 H204 Cl8 O12 P4 Ru4 -","4","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0369","0.0283","","","0.0661","0.0691","","","","","","1.025","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037973","9.9339","0.0004","12.1511","0.0005","23.8401","0.001","90","","98.4975","0.0013","90","","2846.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H39 Au Cl P -","- C29 H39 Au Cl P -","- C116 H156 Au4 Cl4 P4 -","4","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0559","0.0229","","","0.0465","0.0492","","","","","","0.998","","","","has coordinates,has disorder","248502","2020-10-21","18:00:00",""
"4037974","10.7538","0.0005","12.6165","0.0006","14.2361","0.0007","64.557","0.002","71.226","0.002","85.048","0.002","1648.31","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H39 Cl2 Cu F3 O3 P S -","- C30 H39 Cl2 Cu F3 O3 P S -","- C60 H78 Cl4 Cu2 F6 O6 P2 S2 -","2","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0893","0.0448","","","0.087","0.0985","","","","","","1.028","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037975","13.8708","0.0008","15.6985","0.0009","21.0466","0.0012","99.032","0.002","101.061","0.002","114.982","0.002","3928.3","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H92 Cu2 F13 O6 P2 S2 -","- C81 H92 Cu2 F13 O6 P2 S2 -","- C162 H184 Cu4 F26 O12 P4 S4 -","2","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0624","0.053","","","0.1535","0.1597","","","","","","1.038","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037976","10.021","0.0005","18.3007","0.0008","24.1448","0.0011","88.021","0.002","86.219","0.002","76.184","0.002","4289.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H37.67 Cr O5 P -","- C28 H37.6667 Cr O5 P -","- C168 H226 Cr6 O30 P6 -","6","3","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0858","0.0551","","","0.1429","0.1572","","","","","","1.116","","","","has coordinates,has disorder","248502","2020-10-21","18:00:00",""
"4037977","10.1218","0.0005","18.1986","0.0009","24.5216","0.0012","88.051","0.002","86.135","0.002","75.778","0.002","4367.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H37.67 Mo O5 P -","- C28 H37.6667 Mo O5 P -","- C168 H226 Mo6 O30 P6 -","6","3","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.1092","0.0566","","","0.1","0.1137","","","","","","1.018","","","","has coordinates,has disorder","248502","2020-10-21","18:00:00",""
"4037978","10.1196","0.0007","18.2382","0.0014","24.5842","0.0018","88.238","0.003","86.321","0.002","75.864","0.002","4390.3","0.6","145","2","145","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H37.67 O5 P W -","- C28 H37.6667 O5 P W -","- C168 H226 O30 P6 W6 -","6","3","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0656","0.0379","","","0.0645","0.0711","","","","","","1.016","","","","has coordinates,has disorder","248502","2020-10-21","18:00:00",""
"4037979","12.2004","0.0005","10.6944","0.0004","17.4086","0.0007","90","","107.563","0.001","90","","2165.52","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 Au Cl P -","- C21 H33 Au Cl P -","- C84 H132 Au4 Cl4 P4 -","4","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0402","0.0286","","","0.0559","0.0587","","","","","","1.047","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037980","16.1468","0.0008","16.1269","0.0008","16.4389","0.0008","90","","100.437","0.002","90","","4209.8","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H32 Cl O P -","- C21 H32 Cl O P -","- C168 H256 Cl8 O8 P8 -","8","2","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.047","0.0422","","","0.1041","0.1066","","","","","","1.038","","","","has coordinates,has disorder","248502","2020-10-21","18:00:00",""
"4037981","12.209","0.0017","6.6997","0.001","29.003","0.004","90","","90","","90","","2372.3","0.6","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C120 H88 N8 O32 -","8","1","","Wu, Jing; Zhang, Jinzhu; Soto-Acosta, Ruben; Mao, Lili; Lian, Jiahui; Chen, Kenny; Pillon, Guy; Zhang, Guoqi; Geraghty, Robert J.; Zheng, Shengping","One-pot Synthesis of 1-Hydroxyacridones from para-Quinols and ortho-Methoxycarbonylaryl Isocyanates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03307","","","0.71073","MoKα","","0.0812","0.0767","","","0.2476","0.2514","","","","","","1.093","","","","has coordinates","248503","2020-10-21","18:00:00",""
"4037982","13.891","0.009","10.032","0.007","15.905","0.011","90","","101.772","0.01","90","","2170","3","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","2","","Wu, Jing; Zhang, Jinzhu; Soto-Acosta, Ruben; Mao, Lili; Lian, Jiahui; Chen, Kenny; Pillon, Guy; Zhang, Guoqi; Geraghty, Robert J.; Zheng, Shengping","One-pot Synthesis of 1-Hydroxyacridones from para-Quinols and ortho-Methoxycarbonylaryl Isocyanates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03307","","","0.71073","MoKα","","0.0931","0.0615","","","0.1886","0.2068","","","","","","1.14","","","","has coordinates","248504","2020-10-21","18:00:00",""
"4037983","8.4148","0.0006","10.2824","0.0008","14.178","0.0011","90","","95.0523","0.0011","90","","1221.98","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O5 -","- C15 H11 N O5 -","- C60 H44 N4 O20 -","4","1","","Wu, Jing; Zhang, Jinzhu; Soto-Acosta, Ruben; Mao, Lili; Lian, Jiahui; Chen, Kenny; Pillon, Guy; Zhang, Guoqi; Geraghty, Robert J.; Zheng, Shengping","One-pot Synthesis of 1-Hydroxyacridones from para-Quinols and ortho-Methoxycarbonylaryl Isocyanates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03307","","","0.71073","MoKα","","0.0391","0.0381","","","0.0976","0.0982","","","","","","1.07","","","","has coordinates","248505","2020-10-21","18:00:00",""
"4037984","9.2","","17.273","","23.09","","90","","90","","90","","3669.27","","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C184 H184 N8 O24 -","8","1","","Zheng, Guangfan; Duan, Xujing; Chen, Lu; Sun, Jiaqiong; Zhai, Shuailei; Li, Xiaojiao; Jing, Jierui; Li, Xingwei","Access to [4,3,1]-Bridged Carbocycles via Rhodium(III)-Catalyzed C-H Activation of 2-Arylindols and Annulation with Quinone Monoacetals.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00018","","","0.71073","MoKα","","0.0517","0.0512","","","0.1594","0.1601","","","","","","0.656","","","","has coordinates","248506","2020-10-21","18:00:00",""
"4037985","9.6805","0.0018","23.196","0.004","10.671","0.002","90","","101.345","0.004","90","","2349.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O S -","- C13 H13 N O S -","- C104 H104 N8 O8 S8 -","8","2","","Huang, Fei; Wu, Ping; Yu, Zhengkun","Copper(II)-Mediated Intramolecular Cyclopropanation of Ketene N,X-Acetals (X = S, O, N) under Mild Conditions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00093","","","0.71073","MoKα","","0.0599","0.0461","","","0.1151","0.124","","","","","","1.027","","","","has coordinates","248507","2020-10-21","18:00:00",""
"4037986","8.4335","0.001","17.4528","0.0018","17.6982","0.0013","90","","90","","90","","2605","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C120 H128 N16 O8 -","8","2","","Huang, Fei; Wu, Ping; Yu, Zhengkun","Copper(II)-Mediated Intramolecular Cyclopropanation of Ketene N,X-Acetals (X = S, O, N) under Mild Conditions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00093","","","0.71073","MoKα","","0.0675","0.0468","","","0.0976","0.1095","","","","","","1.059","","","","has coordinates,has disorder","248507","2020-10-21","18:00:00",""
"4037987","6.0269","0.0005","7.438","0.0006","42.688","0.004","90","","90.915","0.004","90","","1913.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Br2 N2 -","- C23 H20 Br2 N2 -","- C92 H80 Br8 N8 -","4","1","","Alajarin, Mateo; Ballester, Francisco-Jose; Vivancos, Juan-Antonio; Orenes, Raul-Angel; Vidal, Ángel; Sanchez-Andrada, Pilar; Marin-Luna, Marta","Lewis Acid-mediated Formation of 1,3-Disubstituted Spiro[cyclopropane-1,2'-indanes]: The Activating Effect of the Cyclopropane Walsh Orbital.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00090","","","0.71073","MoKα","","0.1464","0.1358","","","0.3388","0.3436","","","","","","1.311","","","","has coordinates","248508","2020-10-21","18:00:00",""
"4037988","22.887","0.0008","5.21437","0.00015","29.1121","0.0008","90","","98.91","0.003","90","","3432.35","0.18","298","2","298","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C168 H152 N8 O24 -","8","1","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.0997","0.0592","","","0.1591","0.1916","","","","","","1.07","","","","has coordinates","248550","2020-10-21","18:00:00",""
"4037989","14.7401","0.0006","7.7423","0.0003","17.8057","0.0007","90","","101.233","0.0016","90","","1993.1","0.14","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C92 H92 N4 O16 -","4","1","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.0858","0.07","","","0.2002","0.214","","","","","","1.062","","","","has coordinates","248550","2020-10-21","18:00:00",""
"4037990","9.7166","0.0005","22.6956","0.0008","9.8622","0.0005","90","","117.361","0.006","90","","1931.55","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O5 S2 -","- C19 H17 N O5 S2 -","- C76 H68 N4 O20 S8 -","4","1","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.0664","0.0488","","","0.1251","0.1362","","","","","","1.07","","","","has coordinates,has disorder","248550","2020-10-21","18:00:00",""
"4037991","11.4566","0.00018","13.1897","0.0002","14.5799","0.0002","91.9477","0.0014","105.499","0.0014","97.6309","0.0014","2098.67","0.06","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Br N O5 S -","- C21 H18 Br N O5 S -","- C84 H72 Br4 N4 O20 S4 -","4","2","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.0846","0.0507","","","0.0997","0.1143","","","","","","1.03","","","","has coordinates,has disorder","248550","2020-10-21","18:00:00",""
"4037992","10.445","0.002","13.422","0.003","11.971","0.003","90","","90.181","0.008","90","","1678.2","0.6","301","2","301","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","1","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.1118","0.1072","","","0.3414","0.3498","","","","","","1.78","","","","has coordinates","248550","2020-10-21","18:00:00",""
"4037993","11.2221","0.0004","10.3384","0.0004","16.5378","0.0006","90","","90.805","0.003","90","","1918.5","0.12","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O5 -","- C22 H19 N O5 -","- C88 H76 N4 O20 -","4","1","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.0807","0.0498","","","0.1356","0.1532","","","","","","1.118","","","","has coordinates","248550","2020-10-21","18:00:00",""
"4037994","25.6923","0.0019","15.3296","0.0009","5.3503","0.0005","90","","90","","90","","2107.2","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H23 N O5 S -","- C23 H23 N O5 S -","- C92 H92 N4 O20 S4 -","4","1","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.1357","0.0665","","","0.1378","0.1684","","","","","","0.983","","","","has coordinates","248550","2020-10-21","18:00:00",""
"4037995","15.3107","0.0007","7.6551","0.0003","33.1427","0.0013","90","","90","","90","","3884.5","0.3","301","2","301","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O4 S -","- C21 H19 N O4 S -","- C168 H152 N8 O32 S8 -","8","1","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.0499","0.0441","","","0.1133","0.1167","","","","","","1.098","","","","has coordinates","248550","2020-10-21","18:00:00",""
"4037996","9.2857","0.0002","9.7065","0.0003","16.1028","0.0004","72.507","0.002","76.823","0.002","87.285","0.002","1347.45","0.06","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 I N2 O2 -","- C11 H15 I N2 O2 -","- C44 H60 I4 N8 O8 -","4","2","","Dwadnia, Nejib; Lingua, Hugo; Mouysset, Dominique; Mimoun, Liliane; Siri, Didier; Bertrand, Michèle P; Feray, Laurence","Intermolecular addition of carbon-centered radicals to ynamides - A regio- and stereoselective route to persubstituted α-iodo-enamides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03255","","x-ray","0.71073","MoKα","","0.0675","0.0481","","","0.1143","0.1259","","","","","","1.047","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037997","9.5993","0.0011","10.1443","0.0011","22.025","0.004","90","","90","","90","","2144.8","0.5","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 I N O4 S -","- C23 H22 I N O4 S -","- C92 H88 I4 N4 O16 S4 -","4","1","","He, Min; Chen, Nuan; Liu, Lala; Zhu, Yuqi; Li, Qing; Li, Hongguang; Lang, Ming; Wang, Jian; Peng, Shiyong","Synthesis of 3-Azabicyclo[m.2.0] Ring Systems via Copper-Catalyzed Cascade Reaction of Diazo Compounds with 1,n-Allenynes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00149","","x-ray","0.71073","MoKα","","0.0555","0.0488","","","0.0853","0.0887","","","","","","1.082","","","","has coordinates","248670","2020-10-21","18:00:00",""
"4037998","9.4393","0.0012","10.9809","0.0017","12.203","0.0012","64.618","0.012","82.621","0.009","67.246","0.013","1052.8","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N O4 S -","- C24 H25 N O4 S -","- C48 H50 N2 O8 S2 -","2","1","","He, Min; Chen, Nuan; Liu, Lala; Zhu, Yuqi; Li, Qing; Li, Hongguang; Lang, Ming; Wang, Jian; Peng, Shiyong","Synthesis of 3-Azabicyclo[m.2.0] Ring Systems via Copper-Catalyzed Cascade Reaction of Diazo Compounds with 1,n-Allenynes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00149","","x-ray","0.71073","MoKα","","0.0573","0.0441","","","0.0961","0.1046","","","","","","1.041","","","","has coordinates","248671","2020-10-21","18:00:00",""
"4037999","14.5776","0.0019","11.6775","0.001","15.46","0.002","90","","114.996","0.016","90","","2385.3","0.6","293.15","","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 N O4 S -","- C27 H29 N O4 S -","- C108 H116 N4 O16 S4 -","4","1","","He, Min; Chen, Nuan; Liu, Lala; Zhu, Yuqi; Li, Qing; Li, Hongguang; Lang, Ming; Wang, Jian; Peng, Shiyong","Synthesis of 3-Azabicyclo[m.2.0] Ring Systems via Copper-Catalyzed Cascade Reaction of Diazo Compounds with 1,n-Allenynes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00149","","x-ray","0.71073","MoKα","","0.1268","0.0804","","","0.1953","0.2267","","","","","","1.042","","","","has coordinates","248672","2020-10-21","18:00:00",""
"4038000","12.7601","0.0015","10.8088","0.0013","17.5412","0.0018","90","","90.12","0.004","90","","2419.3","0.5","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 N O4 S -","- C29 H27 N O4 S -","- C116 H108 N4 O16 S4 -","4","1","","He, Min; Chen, Nuan; Liu, Lala; Zhu, Yuqi; Li, Qing; Li, Hongguang; Lang, Ming; Wang, Jian; Peng, Shiyong","Synthesis of 3-Azabicyclo[m.2.0] Ring Systems via Copper-Catalyzed Cascade Reaction of Diazo Compounds with 1,n-Allenynes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00149","","","0.71073","MoKα","","0.0924","0.0509","","","0.1041","0.1251","","","","","","1.044","","","","has coordinates","248674","2020-10-21","18:00:00",""
"4038001","10.7361","0.0003","9.4099","0.0003","12.0507","0.0004","90","","114.088","0.004","90","","1111.42","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H21 Br N2 O3 -","- C25 H21 Br N2 O3 -","- C50 H42 Br2 N4 O6 -","2","1","","Guo, Ya-Jun; Guo, Xin; Kong, De-Zhi; Lu, Huijie; Liu, Lantao; Hua, Yuan-Zhao; Wang, Min-Can","Catalytic Asymmetric Synthesis of Tetrahydrofuran Spirooxindoles via Dinuclear Zinc Catalyst.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03378","","x-ray","1.54184","CuKα","","0.0522","0.0461","","","0.123","0.1326","","","","","","1.051","","","","has coordinates","248675","2020-10-21","18:00:00",""
"4038002","7.1359","0.0011","29.591","0.005","31.636","0.005","90","","90","","90","","6680.2","1.9","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C47 H33 N -","- C47 H33 N -","- C376 H264 N8 -","8","1","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.0719","0.0657","","","0.155","0.1559","","","","","","1.011","","","","has coordinates","248676","2020-10-21","18:00:00",""
"4038003","14.6049","0.0008","15.0018","0.0008","19.0646","0.0011","90","","94.308","0.003","90","","4165.2","0.4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H76 B2 F8 N4 Pd -","- C104 H76 B2 F8 N4 Pd -","- C208 H152 B4 F16 N8 Pd2 -","2","0.5","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.067","0.0457","","","0.1134","0.1273","","","","","","1.047","","","","has coordinates","248677","2020-10-21","18:00:00",""
"4038004","15.0812","0.0002","34.7282","0.0006","7.2597","0.0001","90","","90","","90","","3802.22","0.1","150","","150","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C26 H19 N -","- C26 H19 N -","- C208 H152 N8 -","8","1","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.0508","0.0499","","","0.1169","0.1171","","","","","","1.041","","","","has coordinates,has disorder","248678","2020-10-21","18:00:00",""
"4038005","15.5055","0.0002","34.3595","0.0004","7.165","0.0001","90","","90","","90","","3817.23","0.09","150","","150","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C26 H19 N -","- C26 H19 N -","- C208 H152 N8 -","8","1","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.0402","0.0335","","","0.0897","0.0935","","","","","","1.054","","","","has coordinates","248679","2020-10-21","18:00:00",""
"4038006","9.1474","0.0011","21.215","0.002","26.637","0.003","106.603","0.004","96.033","0.004","100.512","0.004","4802.3","0.9","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C116 H104 B2 F8 N4 Pd -","- C116 H104 B2 F8 N4 Pd -","- C232 H208 B4 F16 N8 Pd2 -","2","1","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.0952","0.0676","","","0.1343","0.1371","","","","","","0.91","","","","has coordinates,has disorder","248680","2020-10-21","18:00:00",""
"4038007","8.6005","0.0001","17.6009","0.0003","12.3829","0.0002","90","","102.32","0.001","90","","1831.31","0.05","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N -","- C26 H19 N -","- C104 H76 N4 -","4","1","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.047","0.0458","","","0.1092","0.1104","","","","","","1.087","","","","has coordinates","248681","2020-10-21","18:00:00",""
"4038008","9.039","0.003","15.343","0.006","22.08","0.008","72.242","0.007","81.57","0.01","81.354","0.011","2866.6","1.8","151","","150.95","","","","","","","","","6","P -1","-P 1","2","","","","- C104 H76 B2 F8 N4 Pd -","- C104 H76 B2 F8 N4 Pd -","- C104 H76 B2 F8 N4 Pd -","1","0.5","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.0808","0.0572","","","0.1023","0.1043","","","","","","0.905","","","","has coordinates","248682","2020-10-21","18:00:00",""
"4038009","13.0587","0.0006","15.6881","0.0008","21.3941","0.0009","108.741","0.002","106.946","0.002","99.339","0.002","3808.6","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C188 H132 B2 F8 N4 Pd -","- C188 H132 B2 F8 N4 Pd -","- C188 H132 B2 F8 N4 Pd -","1","0.5","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.0668","0.0659","","","0.1584","0.1588","","","","","","0.988","","","","has coordinates","248683","2020-10-21","18:00:00",""
"4038010","8.8451","0.0003","14.3073","0.0005","19.328","0.0006","89.035","0.002","83.191","0.002","87.639","0.002","2426.46","0.14","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C122 H100 B2 F8 N4 Pd -","- C122 H100 B2 F8 N4 Pd -","- C122 H100 B2 F8 N4 Pd -","1","0.5","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.043","0.0374","","","0.0945","0.0979","","","","","","1.058","","","","has coordinates","248684","2020-10-21","18:00:00",""
"4038011","10.0957","0.0006","16.5247","0.0007","16.6164","0.0007","73.814","0.004","74.718","0.004","89.583","0.004","2561.5","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2,4,6,8-Tetra(isobutyl)-3^4^,3^6^,7^4^,7^6^-tetramethoxy- 1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1^4^,1^6^,5^4^,5^6^-tetrol","","- C51 H68 Cl3 N O8 -","- C51 H68 Cl3 N O8 -","- C102 H136 Cl6 N2 O16 -","2","1","","Smith, Jordan N.; Brind, Thomasin K.; Petrie, Simon B.; Grant, Mikaela S.; Lucas, Nigel T.","One-Step Synthesis of <i>C</i><sub>2v</sub>-Symmetric Resorcin[4]arene Tetraethers.","The Journal of organic chemistry","2020","85","6","4574","4580","10.1021/acs.joc.0c00128","","","1.54184","CuKα","","0.0568","0.0515","","","0.1416","0.148","","","","","","1.066","","","","has coordinates,has disorder","250090","2020-10-21","18:00:00",""
"4038012","15.8596","0.0007","18.1191","0.0008","20.983","0.0009","101.411","0.004","95.612","0.004","107.98","0.004","5539.7","0.5","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","2,4,6,8-Tetra(n-heptyl)-3^4^,3^6^,7^4^,7^6^-tetramethoxy- 1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1^4^,1^6^,5^4^,5^6^-tetrol","","- C60.5 H90 O8.5 -","- C60.5 H90 O8.5 -","- C242 H360 O34 -","4","2","","Smith, Jordan N.; Brind, Thomasin K.; Petrie, Simon B.; Grant, Mikaela S.; Lucas, Nigel T.","One-Step Synthesis of <i>C</i><sub>2v</sub>-Symmetric Resorcin[4]arene Tetraethers.","The Journal of organic chemistry","2020","85","6","4574","4580","10.1021/acs.joc.0c00128","","","1.54184","CuKα","","0.1169","0.0795","","","0.2143","0.2547","","","","","","1.028","","","","has coordinates,has disorder","250090","2020-10-21","18:00:00",""
"4038013","11.605","0.0002","17.8076","0.0005","20.157","0.0005","83.974","0.002","77.65","0.002","75.603","0.002","3935.5","0.17","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2,4,6,8-Tetra(n-undecyl)-1^5^,5^5^-dibromo-3^4^,3^6^,7^4^,7^6^-tetramethoxy- 1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1^4^,1^6^,5^4^,5^6^-tetrol","","- C78 H121 Br2 Cl5 O8 -","- C78 H121 Br2 Cl5 O8 -","- C156 H242 Br4 Cl10 O16 -","2","1","","Smith, Jordan N.; Brind, Thomasin K.; Petrie, Simon B.; Grant, Mikaela S.; Lucas, Nigel T.","One-Step Synthesis of <i>C</i><sub>2v</sub>-Symmetric Resorcin[4]arene Tetraethers.","The Journal of organic chemistry","2020","85","6","4574","4580","10.1021/acs.joc.0c00128","","","1.54184","CuKα","","0.0781","0.0731","","","0.2174","0.2264","","","","","","1.046","","","","has coordinates,has disorder","250090","2020-10-21","18:00:00",""
"4038014","12.5156","0.0004","18.1763","0.0005","13.11","0.0003","90","","94.555","0.003","90","","2972.94","0.14","100","0.1","100","0.1","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","2,4,6,8-Tetra(cyclohexyl)-5^4^,5^6^,7^4^,7^6^-tetramethoxy- 1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1^4^,1^6^,3^4^,3^6^-tetrol","","- C56 H72 O8 -","- C56 H72 O8 -","- C112 H144 O16 -","2","0.5","","Smith, Jordan N.; Brind, Thomasin K.; Petrie, Simon B.; Grant, Mikaela S.; Lucas, Nigel T.","One-Step Synthesis of <i>C</i><sub>2v</sub>-Symmetric Resorcin[4]arene Tetraethers.","The Journal of organic chemistry","2020","85","6","4574","4580","10.1021/acs.joc.0c00128","","","1.54184","CuKα","","0.0671","0.0587","","","0.17","0.1784","","","","","","1.038","","","","has coordinates,has disorder","250090","2020-10-21","18:00:00",""
"4038015","8.7462","0.0003","11.3434","0.0005","14.7196","0.0005","74.989","0.003","74.857","0.003","69.55","0.004","1297.9","0.09","296.4","0.6","296.4","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 Cl2 N O4 -","- C28 H25 Cl2 N O4 -","- C56 H50 Cl4 N2 O8 -","2","1","","Paria, Suva; Carletti, Edoardo; Marcon, Michela; Cherubini-Celli, Alessio; Mazzanti, Andrea; Rancan, Marzio; Dell'Amico, Luca; Bonchio, Marcella; Companyó, Xavier","Light-triggered Catalytic Asymmetric Allylic Benzylation with Photogenerated C-Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00175","","x-ray","0.71073","MoKα","","0.1113","0.0747","","","0.1993","0.2285","","","","","","1.039","","","","has coordinates,has disorder","248686","2020-10-21","18:00:00",""
"4038016","13.265","0.004","14.877","0.004","17.814","0.004","90","","107.651","0.008","90","","3350","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 F5 N3 O2 -","- C34 H43 F5 N3 O2 -","- C136 H172 F20 N12 O8 -","4","1","","Khan, Mehebub Ali; Ghosh, Soumen; Bera, Sachinath; Hoque, Anamika; Sk, Ismail; Ansari, Shagufi Naz; Mobin, Shaikh M.; Alam, Md Akhtarul","A Crystallographic Elucidation of Stimuli Controlled Molecular Rotation for Reversible Sol-Gel Transformation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02944","","","0.71073","MoKα","","0.1006","0.0916","","","0.309","0.3267","","","","","","1.208","","","","has coordinates","248687","2020-10-21","18:00:00",""
"4038017","6.9689","0.0004","24.8459","0.0012","12.2965","0.0006","90","","102.347","0.005","90","","2079.88","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 F5 N3 O3 -","- C21 H16 F5 N3 O3 -","- C84 H64 F20 N12 O12 -","4","1","","Khan, Mehebub Ali; Ghosh, Soumen; Bera, Sachinath; Hoque, Anamika; Sk, Ismail; Ansari, Shagufi Naz; Mobin, Shaikh M.; Alam, Md Akhtarul","A Crystallographic Elucidation of Stimuli Controlled Molecular Rotation for Reversible Sol-Gel Transformation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02944","","","0.71073","MoKα","","0.0835","0.064","","","0.1778","0.195","","","","","","1.111","","","","has coordinates","248688","2020-10-21","18:00:00",""
"4038018","12.2331","0.0003","8.2123","0.0002","14.7327","0.0003","90","","105.743","0.001","90","","1424.55","0.06","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N -","- C21 H13 N -","- C84 H52 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54178","CuKα","","0.0691","0.0466","","","0.123","0.1417","","","","","","1.041","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038019","13.1743","0.001","8.2226","0.0006","13.5","0.001","90","","111.313","0.003","90","","1362.4","0.18","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 N -","- C21 H13 N -","- C84 H52 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","0.71073","MoKα","","0.0581","0.0406","","","0.1004","0.1115","","","","","","1.016","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038020","13.194","0.003","8.3516","0.0017","13.506","0.003","90","","110.722","0.013","90","","1392","0.5","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 N -","- C21 H13 N -","- C84 H52 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","0.71073","MoKα","","0.1033","0.052","","","0.1333","0.1647","","","","","","1.014","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038021","4.623","0.005","22.358","0.005","13.545","0.005","90","0.005","96.486","0.005","90","0.005","1391.1","1.6","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N -","- C21 H13 N -","- C84 H52 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","0.71069","MoKα","","0.1083","0.0532","","","0.1479","0.1866","","","","","","1.026","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038022","17.0774","0.0015","3.9635","0.0004","59.803","0.006","90","","90.802","0.007","90","","4047.4","0.7","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N -","- C21 H13 N -","- C252 H156 N12 -","12","3","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54178","CuKα","","0.2123","0.0833","","","0.204","0.2702","","","","","","1.37","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4038023","9.3677","0.0002","8.1391","0.0002","11.6155","0.0003","90","","99.766","0.001","90","","872.79","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 N -","- C13 H8 N -","- C52 H32 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54178","CuKα","","0.0553","0.0463","","","0.1304","0.1405","","","","","","1.107","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038024","11.0286","0.0006","5.467","0.0003","13.9855","0.0008","90","","91.742","0.003","90","","842.84","0.08","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 N -","- C13 H8 N -","- C52 H32 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54178","CuKα","","0.0928","0.0773","","","0.2027","0.2241","","","","","","1.049","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038025","10.979","0.003","5.4664","0.001","13.966","0.002","90","","91.652","0.008","90","","837.8","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 -","- C26 H16 N2 -","- C52 H32 N4 -","2","0.5","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","0.71073","MoKα","","0.0628","0.0404","","","0.1031","0.1164","","","","","","1.037","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038026","3.7918","0.0012","9.006","0.003","24.601","0.011","90","","90.484","0.019","90","","840.1","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N2 -","- C26 H16 N2 -","- C52 H32 N4 -","2","0.5","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","0.71073","MoKα","","0.0679","0.0425","","","0.0793","0.086","","","","","","0.867","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038027","5.589","0.005","20.882","0.005","7.697","0.005","90","0.005","103.696","0.005","90","0.005","872.8","1","299","2","299","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 N -","- C13 H8 N -","- C52 H32 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","0.71069","MoKα","","0.0552","0.0427","","","0.1191","0.1309","","","","","","1.032","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038028","12.53","0.003","10.289","0.002","13.803","0.003","90","","104.918","0.014","90","","1719.5","0.7","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H8 N -","- C13 H8 N -","- C104 H64 N8 -","8","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54178","CuKα","","0.1348","0.1154","","","0.3096","0.3471","","","","","","1.496","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038029","12.2463","0.0003","30.2305","0.0009","9.5734","0.0002","90","","95.933","0.002","90","","3525.2","0.16","172.99","0.1","172.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 -","- C26 H16 N2 -","- C208 H128 N16 -","8","2","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54184","CuKα","","0.0649","0.0415","","","0.0987","0.1166","","","","","","0.988","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038030","12.305","0.0004","30.386","0.0013","9.6833","0.0003","90","","96.608","0.003","90","","3596.5","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 -","- C26 H16 N2 -","- C208 H128 N16 -","8","2","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54184","CuKα","","0.0876","0.0511","","","0.1249","0.1539","","","","","","1.004","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038031","9.6837","0.001","12.097","0.0012","12.2653","0.0012","89.133","0.006","66.936","0.005","75.404","0.005","1273.6","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H32 N2 -","- C34 H32 N2 -","- C68 H64 N4 -","2","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54178","CuKα","","0.0931","0.069","","","0.193","0.2196","","","","","","1.025","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038032","6.869","0.0003","18.7339","0.0008","19.4363","0.0009","69.1744","0.0014","87.7497","0.0015","81.4656","0.0015","2311.59","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O4 -","- C16.9987 H20.9977 N O3.99987 -","- C101.992 H125.986 N6 O23.9992 -","6","3","","Saito, Fumito; Becker, Jonathan; Schreiner, Peter R.","Synthesis and Conformational Analysis of Parent Perhydroazulenes Reveals an Energetically Preferred cis Ring Fusion.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00167","","","0.71073","MoKα","","0.0776","0.0486","","","0.1075","0.1218","","","","","","1.02","","","","has coordinates,has disorder","248987","2020-10-21","18:00:00",""
"4038033","5.9709","0.0003","10.3213","0.0005","11.0614","0.0006","112.027","0.0017","103.994","0.0019","99.262","0.002","588.69","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H20 S2 -","- C12 H20 S2 -","- C24 H40 S4 -","2","1","","Saito, Fumito; Becker, Jonathan; Schreiner, Peter R.","Synthesis and Conformational Analysis of Parent Perhydroazulenes Reveals an Energetically Preferred cis Ring Fusion.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00167","","","0.71073","MoKα","","0.0437","0.0333","","","0.0777","0.0815","","","","","","1.047","","","","has coordinates","248988","2020-10-21","18:00:00",""
"4038034","5.712","0.0012","11.113","0.002","11.571","0.002","104.605","0.003","100.4","0.003","103.087","0.003","669.9","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C34 H30 N2 O4 -","2","1","","Feng, Yangyang; Yang, Chenglin; Deng, Qingfu; Xiong, Ruimei; Zhang, Xiaohui; Xiong, Yan","Synthesis of anti Tricyclic Morpholine Derivatives through Iodine(III)-Mediated Intramolecular Umpolung Cycloaddition of Olefins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00286","","","0.71073","MoKα","","0.0714","0.0559","","","0.1483","0.1614","","","","","","1.053","","","","has coordinates","249091","2020-10-21","18:00:00",""
"4038035","5.312","0.002","11.535","0.005","13.242","0.006","90","","90","","90","","811.4","0.6","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H13 N O4 -","- C8 H13 N O4 -","- C32 H52 N4 O16 -","4","1","","Hocine, Sofiane; Berger, Gilles; Hanessian, Stephen","Design and Synthesis of Backbone-Fused, Conformationally Constrained Morpholine-Proline Chimeras.","The Journal of organic chemistry","2020","85","6","4237","4247","10.1021/acs.joc.9b03413","","x-ray","1.54178","CuKα","","0.1054","0.0649","","","0.1316","0.1579","","","","","","0.911","","","","has coordinates","250094","2020-10-21","18:00:00",""
"4038036","5.1388","0.0003","19.7529","0.0012","11.7294","0.0008","90","","100.519","0.002","90","","1170.6","0.13","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Yin, Jinya; Landward, Michael B.; Rainier, Jon Douglas","Photoelectrocyclization Reactions of Amidonaphthoquinones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03417","","","0.71073","MoKα","","0.0594","0.0415","","","0.1037","0.113","","","","","","1.031","","","","has coordinates","249093","2020-10-21","18:00:00",""
"4038037","10.6981","0.0013","5.3875","0.0006","22.901","0.003","90","","100.847","0.003","90","","1296.3","0.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Yin, Jinya; Landward, Michael B.; Rainier, Jon Douglas","Photoelectrocyclization Reactions of Amidonaphthoquinones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03417","","","0.71073","MoKα","","0.0536","0.0416","","","0.1122","0.121","","","","","","1.031","","","","has coordinates","249094","2020-10-21","18:00:00",""
"4038038","4.8245","0.0005","13.1695","0.0012","26.813","0.003","90","","90.043","0.01","90","","1703.6","0.3","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C80 H104 O8 -","4","1","","Igawa, Kazunobu; Kawasaki, Yuuya; Nozaki, Sora; Kokan, Naoto; Tomooka, Katsuhiko","Ozone Oxidation of Silylalkene: Mechanistic Study and Application for the Synthesis of Silacarboxylic Acid Derivatives.","The Journal of organic chemistry","2020","85","6","4165","4171","10.1021/acs.joc.9b03350","","x-ray","0.71073","MoKα","","0.1219","0.0715","","","0.17","0.193","","","","","","1.032","","","","has coordinates,has disorder","250089","2020-10-21","18:00:00",""
"4038039","14.7524","0.0005","5.3118","0.0001","12.5363","0.0003","90","","101.064","0.003","90","","964.11","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 Br N4 O -","- C9 H5 Br N4 O -","- C36 H20 Br4 N16 O4 -","4","1","","Funt, Liya D.; Krivolapova, Yulia V.; Khoroshilova, Olesya V.; Novikov, Mikhail Sergeevich; Khlebnikov, Alexander F.","2H-Azirine-2-carbonyl Azides: Preparation and Use as N-Heterocyclic Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03367","","x-ray","1.54184","CuKα","","0.0586","0.0576","","","0.1528","0.1559","","","","","","1.073","","","","has coordinates","249155","2020-10-21","18:00:00",""
"4038040","8.3641","0.0003","20.06","0.0007","24.723","0.0007","90","","93.043","0.003","90","","4142.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N2 O3.5 S0.5 -","- C25 H21 N2 O3.5 S0.5 -","- C200 H168 N16 O28 S4 -","8","2","","Funt, Liya D.; Krivolapova, Yulia V.; Khoroshilova, Olesya V.; Novikov, Mikhail Sergeevich; Khlebnikov, Alexander F.","2H-Azirine-2-carbonyl Azides: Preparation and Use as N-Heterocyclic Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03367","","x-ray","1.54184","CuKα","","0.0728","0.0592","","","0.1672","0.1872","","","","","","1.052","","","","has coordinates","249156","2020-10-21","18:00:00",""
"4038041","7.4324","0.0003","14.3291","0.0005","15.9268","0.0007","108.01","0.004","94.612","0.003","103.904","0.003","1543.68","0.12","100","3","100","3","","","","","","","","6","P -1","-P 1","2","","","","- C15 H11 F3 N2 O4 S -","- C15 H11 F3 N2 O4 S -","- C60 H44 F12 N8 O16 S4 -","4","2","","Funt, Liya D.; Krivolapova, Yulia V.; Khoroshilova, Olesya V.; Novikov, Mikhail Sergeevich; Khlebnikov, Alexander F.","2H-Azirine-2-carbonyl Azides: Preparation and Use as N-Heterocyclic Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03367","","x-ray","1.54184","CuKα","","0.0552","0.0478","","","0.1318","0.1385","","","","","","1.029","","","","has coordinates","249157","2020-10-21","18:00:00",""
"4038042","7.6228","0.0001","13.7609","0.0001","13.7806","0.0001","85.032","0.001","82.433","0.001","80.693","0.001","1410.93","0.02","100","3","100","3","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Br N4 O2 -","- C14 H11 Br N4 O2 -","- C56 H44 Br4 N16 O8 -","4","2","","Funt, Liya D.; Krivolapova, Yulia V.; Khoroshilova, Olesya V.; Novikov, Mikhail Sergeevich; Khlebnikov, Alexander F.","2H-Azirine-2-carbonyl Azides: Preparation and Use as N-Heterocyclic Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03367","","x-ray","1.54184","CuKα","","0.0347","0.0344","","","0.0893","0.0896","","","","","","1.052","","","","has coordinates","249158","2020-10-21","18:00:00",""
"4038043","11.1583","0.0016","25.873","0.003","20.17","0.002","90","","105.729","0.013","90","","5605","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 Br N O7 Si -","- C25 H33 Br N O7 Si -","- C200 H264 Br8 N8 O56 Si8 -","8","2","","Yu, Haiyong; Tian, Yingyuan; Zong, Yan; Zhang, Jianyu; Xu, Tao","Total Synthesis and Structural Reassignment of Aranorosinol A, Aranorosinol B, and EI-2128-1.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00028","","","1.54184","CuKα","","0.2187","0.1066","","","0.3096","0.4058","","","","","","1.075","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4038044","24.66","0.002","32.376","0.003","14.076","0.0013","90","","90","","90","","11238.2","1.7","298","2","298.15","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C100 H142 Br4 Cl2 N4 O28 Si4 -","- C101 H142 Br4 Cl2 N4 O28 Si4 -","- C404 H568 Br16 Cl8 N16 O112 Si16 -","4","0.5","","Yu, Haiyong; Tian, Yingyuan; Zong, Yan; Zhang, Jianyu; Xu, Tao","Total Synthesis and Structural Reassignment of Aranorosinol A, Aranorosinol B, and EI-2128-1.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00028","","","0.71073","MoKα","","0.1942","0.0565","","","0.1287","0.1563","","","","","","0.764","","","","has coordinates","249182","2020-10-21","18:00:00",""
"4038045","9.087","0.0008","11.7793","0.0011","9.6187","0.0009","90","","111.942","0.004","90","","954.99","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N O6 -","- C20 H24 N O6 -","- C40 H48 N2 O12 -","2","1","","Yu, Haiyong; Tian, Yingyuan; Zong, Yan; Zhang, Jianyu; Xu, Tao","Total Synthesis and Structural Reassignment of Aranorosinol A, Aranorosinol B, and EI-2128-1.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00028","","","1.54178","CuKα","","0.1794","0.1157","","","0.2918","0.3854","","","","","","0.992","","","","has coordinates","249183","2020-10-21","18:00:00",""
"4038046","10.122","0.013","5.827","0.005","8.812","0.011","90","","106.72","0.06","90","","497.8","1","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 H2 F2 N4 -","- C12 H2 F2 N4 -","- C24 H4 F4 N8 -","2","0.25","","Liu, En-Chih; Topczewski, Joseph J.","Gram-Scale Synthesis of 2,5-Difluoro-7,7,8,8-tetracyanoquinodimethane (F<sub>2</sub>-TCNQ).","The Journal of organic chemistry","2020","85","6","4560","4564","10.1021/acs.joc.0c00053","","","0.71073","MoKα","","0.0414","0.0339","","","0.0956","0.101","","","","","","1.102","","","","has coordinates","250095","2020-10-21","18:00:00",""
"4038047","5.8237","0.0003","8.8525","0.0004","19.1618","0.001","90","","92.943","0.003","90","","986.57","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 F N O2 S -","- C9 H12 F N O2 S -","- C36 H48 F4 N4 O8 S4 -","4","1","","Emenike, Bright U.; Dhami, Simran S.","Determining the Ionization Constants of Organic Acids Using Fluorine Gauche Effects.","The Journal of organic chemistry","2020","85","7","4896","4900","10.1021/acs.joc.0c00062","","","0.71073","MoKα","","0.0292","0.0283","","","0.0808","0.0817","","","","","","1.049","","","","has coordinates","250110","2020-10-21","18:00:00",""
"4038048","12.2123","0.0005","24.8626","0.001","4.7975","0.0002","90","","90","","90","","1456.66","0.1","100","2","100.03","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C60 H68 N12 O16 -","4","1","","Elbatrawi, Yassin M.; Pedretty, Kyle P.; Giddings, Nicole; Woodcock, H. Lee; Del Valle, Juan R.","δ-Azaproline and its oxidized variants.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03384","","","1.54178","CuKα","","0.0563","0.043","","","0.0959","0.1021","","","","","","1.056","","","","has coordinates","249211","2020-10-21","18:00:00",""
"4038049","4.8637","0.0001","11.1251","0.0003","15.4131","0.0004","90","","90","","90","","833.99","0.04","100","2","100.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 N2 O4 -","- C7 H10 N2 O4 -","- C28 H40 N8 O16 -","4","1","","Elbatrawi, Yassin M.; Pedretty, Kyle P.; Giddings, Nicole; Woodcock, H. Lee; Del Valle, Juan R.","δ-Azaproline and its oxidized variants.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03384","","","1.54178","CuKα","","0.0286","0.0274","","","0.0634","0.0641","","","","","","1.079","","","","has coordinates","249212","2020-10-21","18:00:00",""
"4038050","6.2002","0.0002","8.7727","0.0003","19.3378","0.0007","101.692","0.001","93.848","0.001","90.292","0.001","1027.5","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 Na2 O10 -","- C18 H26 Na2 O10 -","- C36 H52 Na4 O20 -","2","1","","Eronen, Aleksi E. K.; Mannisto, Jere K.; Moslova, Karina; Nieger, Martin; Heliövaara, Eeva; Repo, Timo","Synthesis of Diaryl Hydroxyl Dicarboxylic Acids from Amino Acids.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03320","","","1.54178","CuKα","","0.0297","0.0288","","","0.0747","0.0753","","","","","","1.058","","","","has coordinates","249241","2020-10-21","18:00:00",""
"4038051","6.2535","0.0002","38.0761","0.0013","9.2033","0.0003","90","","109.594","0.001","90","","2064.49","0.12","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N Na2 O8 -","- C20 H23 N Na2 O8 -","- C80 H92 N4 Na8 O32 -","4","1","","Eronen, Aleksi E. K.; Mannisto, Jere K.; Moslova, Karina; Nieger, Martin; Heliövaara, Eeva; Repo, Timo","Synthesis of Diaryl Hydroxyl Dicarboxylic Acids from Amino Acids.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03320","","","1.54178","CuKα","","0.0325","0.0317","","","0.0799","0.0806","","","","","","1.089","","","","has coordinates","249241","2020-10-21","18:00:00",""
"4038052","9.2518","0.0009","13.2729","0.0013","20.695","0.002","90","","90.325","0.002","90","","2541.3","0.4","273","","273","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 Cl N3 -","- C20 H15 Cl N3 -","- C120 H90 Cl6 N18 -","6","3","","Wang, Jingdong; Liu, Yuxin; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","Synthesis of 4-Azaindolines Using Phase-Transfer Catalysis via an Intramolecular Mannich Reaction.","The Journal of organic chemistry","2020","85","6","4047","4057","10.1021/acs.joc.9b03025","","","0.71073","MoKα","","0.0966","0.0591","","","0.1325","0.1538","","","","","","1.019","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4038053","7.532","0.007","9.197","0.009","22.1","0.02","90","","90","","90","","1531","2","273","2","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 F3 N2 O2 S -","- C17 H13 F3 N2 O2 S -","- C68 H52 F12 N8 O8 S4 -","4","1","","Wang, Wei; Xiong, Wenhui; Wang, Jinping; Wang, Qiu-An; Yang, Wen","Brønsted Acid-Catalyzed Asymmetric Friedel-Crafts Alkylation of Indoles with Benzothiazole-Bearing Trifluoromethyl Ketone Hydrates.","The Journal of organic chemistry","2020","85","6","4398","4407","10.1021/acs.joc.0c00116","","","0.71073","MoKα","","0.0535","0.0414","","","0.0873","0.0929","","","","","","1.082","","","","has coordinates","250093","2020-10-21","18:00:00",""
"4038054","12.4242","0.0007","7.1204","0.0004","14.6853","0.0007","90","","94.29","0.007","90","","1295.5","0.12","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H44 O5 -","- C28 H44 O5 -","- C56 H88 O10 -","2","1","","Niki, Misaki; Hirata, Yushi; Nakazaki, Atsuo; Wu, Jing; Kawagishi, Hirokazu; Nishikawa, Toshio","Biomimetic Synthesis of Chaxine and its Related Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03482","","","1.54187","CuKα","","0.1041","0.0655","","","0.1583","0.1798","","","","","","1.036","","","","has coordinates","249337","2020-10-21","18:00:00",""
"4038055","16.003","0.003","7.6071","0.0015","11.779","0.002","90","","108.82","0.03","90","","1357.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F0 N2 O0 -","- C18 H14 N2 -","- C72 H56 N8 -","4","1","","Jia, Chunqi; Wu, Nini; Cai, Xiaofeng; Li, Gang; Zhong, Lei; Zou, Lei; Cui, Xiuling","Ruthenium-Catalyzed <i>meta</i>-Selective C<sub>Ar</sub>-H Bond Formylation of Arenes.","The Journal of organic chemistry","2020","85","6","4536","4542","10.1021/acs.joc.0c00007","","","0.71073","MoKα","","0.108","0.081","","","0.2426","0.2565","","","","","","1.087","","","","has coordinates","250091","2020-10-21","18:00:00",""
"4038056","7.789","0.004","10.907","0.006","20.566","0.013","90","","90","","90","","1747.2","1.7","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","oxa[5]helicene 1a","5-fluoro-2-phenylbenzo[5,6]phenanthro[4,3-b]furan","","- C26 H15 F O -","- C26 H15 F O -","- C104 H60 F4 O4 -","4","1","","Hoenig, Samuel M.; Yan, Youmian; Dougherty, Emily A.; Hudson, Reuben; Petovic, Sava; Lee, Christopher K.; Hu, Yusheng; Gomez, Lucas S.; Katz, Jeffrey L.","Convergent Strategy for the Synthesis of Oxa-, Thia-, and Selena[5]helicenes by Acetylene-Activated S<sub>N</sub>Ar Reactions.","The Journal of organic chemistry","2020","85","6","4553","4559","10.1021/acs.joc.0c00052","","","0.71073","MoKα","","0.0416","0.0372","","","0.1107","0.1164","","","","","","0.95","","","","has coordinates","250092","2020-10-21","18:00:00",""
"4038057","12.8863","0.0005","18.6245","0.0007","7.636","0.0003","90","","97.048","0.002","90","","1818.8","0.12","173","2","173.03","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-fluoro-2-phenylbenzo[5,6]phenanthro[4,3-b]thiophene","","- C26 H15 F S -","- C26 H15 F S -","- C104 H60 F4 S4 -","4","1","","Hoenig, Samuel M.; Yan, Youmian; Dougherty, Emily A.; Hudson, Reuben; Petovic, Sava; Lee, Christopher K.; Hu, Yusheng; Gomez, Lucas S.; Katz, Jeffrey L.","Convergent Strategy for the Synthesis of Oxa-, Thia-, and Selena[5]helicenes by Acetylene-Activated S<sub>N</sub>Ar Reactions.","The Journal of organic chemistry","2020","85","6","4553","4559","10.1021/acs.joc.0c00052","","x-ray","0.71073","MoKα","","0.0434","0.0376","","","0.1244","0.1323","","","","","","0.985","","","","has coordinates","250092","2020-10-21","18:00:00",""
"4038058","8.068","0.0003","8.1779","0.0003","9.016","0.0004","74.336","0.003","74.502","0.004","87.802","0.003","551.58","0.04","140","0.8","140","1","","","","","","","","6","P 1","P 1","1","","","","- C27 H26 Fe N O P -","- C27 H26 Fe N O P -","- C27 H26 Fe N O P -","1","1","","Arthurs, Ross A.; Hughes, David L.; Richards, Christopher John","Stereoselective Synthesis of all Possible Phosferrox Ligand Diastereoisomers Displaying Three Elements of Chirality: Stereochemical Optimization for Asymmetric Catalysis.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03342","","","0.71073","Mo-Kα","","0.0352","0.0329","","","0.0814","0.0823","","","","","","1.126","","","","has coordinates","249371","2020-10-21","18:00:00",""
"4038059","8.22498","0.00012","8.22498","0.00012","36.194","0.0007","90","","90","","90","","2448.53","0.07","140","0.6","140","1","","","","","","","","6","P 41","P 4w","76","","","","- C29 H30 Fe N O P -","- C29 H30 Fe N O P -","- C116 H120 Fe4 N4 O4 P4 -","4","1","","Arthurs, Ross A.; Hughes, David L.; Richards, Christopher John","Stereoselective Synthesis of all Possible Phosferrox Ligand Diastereoisomers Displaying Three Elements of Chirality: Stereochemical Optimization for Asymmetric Catalysis.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03342","","","0.71073","Mo-Kα","","0.0385","0.0329","","","0.0647","0.0662","","","","","","1.077","","","","has coordinates","249372","2020-10-21","18:00:00",""
"4038060","9.2848","0.0001","10.9249","0.0002","23.5739","0.0004","90","","90","","90","","2391.23","0.07","140","0.5","140","0.5","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 Fe N O P -","- C29 H30 Fe N O P -","- C116 H120 Fe4 N4 O4 P4 -","4","1","","Arthurs, Ross A.; Hughes, David L.; Richards, Christopher John","Stereoselective Synthesis of all Possible Phosferrox Ligand Diastereoisomers Displaying Three Elements of Chirality: Stereochemical Optimization for Asymmetric Catalysis.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03342","","","0.71073","Mo-Kα","","0.0267","0.0255","","","0.0638","0.0643","","","","","","1.105","","","","has coordinates","249373","2020-10-21","18:00:00",""
"4038061","16.5513","0.0001","9.6657","0.0001","25.6444","0.0002","90","","90","","90","","4102.59","0.06","170","2","170","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H23 N7 O2 S -","- C19 H23 N7 O2 S -","- C152 H184 N56 O16 S8 -","8","2","","Zaķis, Ja Nis Miķelis; Ozols, Kristers; Novosjolova, Irina; Vilšķe Rsts, Reinis; Mishnev, Anatoly; Turks, Ma Ris","Sulfonyl Group Dance: A Tool for the Synthesis of 6-Azido-2-sulfonylpurine Derivatives.","The Journal of organic chemistry","2020","85","7","4753","4771","10.1021/acs.joc.9b03518","","","1.54184","CuKα","","0.0378","0.037","","","0.0979","0.0987","","","","","","1.031","","","","has coordinates,has disorder","250112","2020-10-21","18:00:00",""
"4038062","6.2963","0.0002","12.2014","0.0003","12.3922","0.0004","89.249","0.002","79.699","0.003","81.512","0.003","926.32","0.05","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H21 Cl N4 O2 S -","- C18 H21 Cl N4 O2 S -","- C36 H42 Cl2 N8 O4 S2 -","2","1","","Zaķis, Ja Nis Miķelis; Ozols, Kristers; Novosjolova, Irina; Vilšķe Rsts, Reinis; Mishnev, Anatoly; Turks, Ma Ris","Sulfonyl Group Dance: A Tool for the Synthesis of 6-Azido-2-sulfonylpurine Derivatives.","The Journal of organic chemistry","2020","85","7","4753","4771","10.1021/acs.joc.9b03518","","","1.54184","CuKα","","0.0336","0.0326","","","0.0898","0.0905","","","","","","1.059","","","","has coordinates,has disorder","250112","2020-10-21","18:00:00",""
"4038063","17.907","0.003","9.0483","0.0014","25.336","0.005","90","","109.74","0.02","90","","3863.9","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H35 F6 N7 O12 -","- C34 H35 F6 N7 O12 -","- C136 H140 F24 N28 O48 -","4","1","","Niedbała, Patryk; Majdecki, Maciej; Dąbrowa, Kajetan; Jurczak, Janusz","Selective Carboxylate Recognition Using Urea-Functionalized Unclosed Cryptands: Mild Synthesis and Complexation Studies.","The Journal of organic chemistry","2020","85","7","5058","5064","10.1021/acs.joc.9b03082","","","1.54184","CuKα","","0.2292","0.1375","","","0.3305","0.4233","","","","","","1.068","","","","has coordinates,has disorder","250113","2020-10-21","18:00:00",""
"4038064","5.7052","0.0002","48.2715","0.0012","7.5578","0.0002","90","","106.145","0.003","90","","1999.32","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Br N5 -","- C22 H22 Br N5 -","- C88 H88 Br4 N20 -","4","1","","Kour, Jaspreet; Venkateswarlu, Vunnam; Verma, Praveen K.; Hussain, Yaseen; Dubey, Gurudutt; Bharatam, Prasad V.; Sahoo, Subash C.; Sawant, Sanghapal D.","Oxone-DMSO Triggered Methylene Insertion and C(sp<sup>2</sup>)-C(sp<sup>3</sup>)-H-C(sp<sup>2</sup>) Bond Formation to Access Functional Bis-Heterocycles.","The Journal of organic chemistry","2020","85","7","4951","4962","10.1021/acs.joc.9b03477","","x-ray","0.71073","MoKα","","0.0696","0.0457","","","0.0878","0.0949","","","","","","1.037","","","","has coordinates,has disorder","250115","2020-10-21","18:00:00",""
"4038065","19.9143","0.0008","19.9143","0.0008","19.9143","0.0008","90","","90","","90","","7897.6","0.5","123","2","123","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C88 H108 B6 O12 -","- C87.999 H107.998 B6 O12 -","- C351.996 H431.99 B24 O48 -","4","0.166667","","Nagase, Mai; Kato, Kenta; Yagi, Akiko; Segawa, Yasutomo; Itami, Kenichiro","Six-fold C‒H borylation of hexa-peri-hexabenzocoronene","Beilstein Journal of Organic Chemistry","2020","16","","391","397","10.3762/bjoc.16.37","","x-ray","0.71073","MoKα","","0.1252","0.0733","","","0.2041","0.2378","","","","","","1.093","","","","has coordinates,has disorder","258194","2020-10-21","18:00:00",""
"4038066","8.26368","0.00003","7.69518","0.00004","12.43341","0.00005","90","","95.7545","0.0004","90","","786.662","0.006","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C34 H40 O12 -","2","1","","Zang, Yi; Gong, Yihua; Gong, Jiaojiao; Liu, Junjun; Chen, Chunmei; Gu, Lianghu; Zhou, Yuan; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Fungal Polyketides with Three Distinctive Ring Skeletons from the Fungus <i>Penicillium canescens</i> Uncovered by OSMAC and Molecular Networking Strategies.","The Journal of organic chemistry","2020","85","7","4973","4980","10.1021/acs.joc.0c00147","","x-ray","1.54184","CuKα","","0.0265","0.0265","","","0.0705","0.0706","","","","","","1.112","","","","has coordinates","250114","2020-10-21","18:00:00",""
"4038067","31.4966","0.0006","12.8222","0.0003","12.3149","0.0003","90","","109.069","0.001","90","","4700.53","0.18","297","2","297","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 O13 -","- C20 H23 O13 -","- C160 H184 O104 -","8","1","","Zang, Yi; Gong, Yihua; Gong, Jiaojiao; Liu, Junjun; Chen, Chunmei; Gu, Lianghu; Zhou, Yuan; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Fungal Polyketides with Three Distinctive Ring Skeletons from the Fungus <i>Penicillium canescens</i> Uncovered by OSMAC and Molecular Networking Strategies.","The Journal of organic chemistry","2020","85","7","4973","4980","10.1021/acs.joc.0c00147","","","1.54178","CuKα","","0.0636","0.0604","","","0.1796","0.1857","","","","","","1.044","","","","has coordinates,has disorder","250114","2020-10-21","18:00:00",""
"4038068","12.4645","0.0005","12.9987","0.0005","16.7305","0.0005","83.723","0.003","73.112","0.003","86.634","0.003","2577.23","0.17","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 O Si -","- C22.4 H22.4 N1.6 O0.8 Si0.8 -","- C112 H112 N8 O4 Si4 -","5","2.5","","Dong, Yafang; Sakai, Masahiko; Fuji, Kazuto; Sekine, Kohei; Kuninobu, Yoichiro","Synthesis of six-membered silacycles by borane-catalyzed double sila-Friedel‒Crafts reaction","Beilstein Journal of Organic Chemistry","2020","16","","409","414","10.3762/bjoc.16.39","","x-ray","0.71073","MoKα","","0.1067","0.087","","","0.2284","0.2555","","","","","","1.058","","","","has coordinates","258190","2020-10-21","18:00:00",""
"4038069","13.2254","0.0003","7.5242","0.0002","30.3701","0.0008","90","","90","","90","","3022.15","0.13","190","2","190","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C144 H136 N24 O16 -","8","1","","Bhujanga Rao, Chitturi; Zhang, Ning; Hu, Jiana; Wang, Yu; Liang, Yongjiu; Zhang, Rui; Yuan, Jingwen; Dong, Dewen","Tf<sub>2</sub>O-Mediated Cyclization of α-Acyl-β-(2-aminopyridinyl)acrylamides: Access to N-Substituted 4<i>H</i>-Pyrido[1,2-<i>a</i>]pyrimidin-4-imines.","The Journal of organic chemistry","2020","85","7","4695","4705","10.1021/acs.joc.9b03495","","","1.54178","CuKα","","0.0403","0.0372","","","0.0965","0.0998","","","","","","1.089","","","","has coordinates","250099","2020-10-21","18:00:00",""
"4038070","15.9019","0.0011","15.189","0.001","9.7547","0.0004","90","","95.855","0.006","90","","2343.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 F N4 O2 S -","- C27 H25 F N4 O2 S -","- C108 H100 F4 N16 O8 S4 -","4","1","","De, Pinaki Bhusan; Atta, Sayan; Pradhan, Sourav; Banerjee, Sonbidya; Shah, Tariq A.; Punniyamurthy, Tharmalingam","Cp*Co(III)-Catalyzed C-7 C-C Coupling of Indolines with Aziridines: Merging C-H Activation and Ring Opening.","The Journal of organic chemistry","2020","85","7","4785","4794","10.1021/acs.joc.0c00010","","","0.71073","MoKα","","0.1295","0.0745","","","0.1685","0.2036","","","","","","0.956","","","","has coordinates","250100","2020-10-21","18:00:00",""
"4038071","7.742","0.0019","6.4525","0.0013","11.1204","0.0018","90","","92.759","0.01","90","","554.9","0.2","566","2","566","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 N8 O8 -","- C4 H10 N8 O8 -","- C8 H20 N16 O16 -","2","0.5","","Lease, Nicholas; Kay, Lisa M.; Brown, Geoffrey W.; Chavez, David E.; Robbins, David; Byrd, Edward F. C.; Imler, Gregory H.; Parrish, Damon A.; Manner, Virginia W.","Synthesis of Erythritol Tetranitrate (ETN) Derivatives: Functional Group Tuning of Explosive Sensitivity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03344","","","1.54178","CuKα","","0.0397","0.0389","","","0.1017","0.1024","","","","","","1.087","","","","has coordinates","249510","2020-10-21","18:00:00",""
"4038072","9.6553","0.0002","11.4","0.0003","11.05","0.0003","90","","109.035","0.001","90","","1149.77","0.05","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O -","- C13 H18 N2 O -","- C52 H72 N8 O4 -","4","1","","Outin, Johanne; Quellier, Pauline; Bélanger, Guillaume","Sequential One-Pot Vilsmeier-Haack and Organocatalyzed Mannich Cyclizations to Functionalized Benzoindolizidines and Benzoquinolizidines.","The Journal of organic chemistry","2020","85","7","4712","4729","10.1021/acs.joc.9b03449","","x-ray","1.54186","CuKα","","0.0685","0.0503","","","0.1331","0.1491","","","","","","1.012","","","","has coordinates","250101","2020-10-21","18:00:00",""
"4038073","30.3546","0.0018","5.078","0.0003","20.1975","0.0012","90","","113.604","0.001","90","","2852.8","0.3","173","2","173","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C128 H168 N8 O24 -","8","1","","Outin, Johanne; Quellier, Pauline; Bélanger, Guillaume","Sequential One-Pot Vilsmeier-Haack and Organocatalyzed Mannich Cyclizations to Functionalized Benzoindolizidines and Benzoquinolizidines.","The Journal of organic chemistry","2020","85","7","4712","4729","10.1021/acs.joc.9b03449","","x-ray","1.54186","CuKα","","0.0384","0.0362","","","0.093","0.0949","","","","","","1.043","","","","has coordinates","250101","2020-10-21","18:00:00",""
"4038074","12.9004","0.0002","7.7842","0.0001","13.685","0.0003","90","","104.82","0.001","90","","1328.52","0.04","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Outin, Johanne; Quellier, Pauline; Bélanger, Guillaume","Sequential One-Pot Vilsmeier-Haack and Organocatalyzed Mannich Cyclizations to Functionalized Benzoindolizidines and Benzoquinolizidines.","The Journal of organic chemistry","2020","85","7","4712","4729","10.1021/acs.joc.9b03449","","x-ray","1.54186","CuKα","","0.058","0.048","","","0.1295","0.1367","","","","","","1.04","","","","has coordinates","250101","2020-10-21","18:00:00",""
"4038075","9.1272","0.0002","9.8101","0.0002","19.409","0.0005","81.582","0.001","82.675","0.001","85.338","0.001","1701.63","0.07","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C76 H108 N4 O12 -","4","2","","Outin, Johanne; Quellier, Pauline; Bélanger, Guillaume","Sequential One-Pot Vilsmeier-Haack and Organocatalyzed Mannich Cyclizations to Functionalized Benzoindolizidines and Benzoquinolizidines.","The Journal of organic chemistry","2020","85","7","4712","4729","10.1021/acs.joc.9b03449","","x-ray","1.54186","CuKα","","0.0562","0.0473","","","0.1343","0.1431","","","","","","1.003","","","","has coordinates","250101","2020-10-21","18:00:00",""
"4038076","5.4537","0.0001","10.2807","0.0003","14.458","0.0004","71.75","0.001","81.119","0.001","85.2","0.001","760.08","0.03","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C17 H23 N O3 -","- C17 H23 N O3 -","- C34 H46 N2 O6 -","2","1","","Outin, Johanne; Quellier, Pauline; Bélanger, Guillaume","Sequential One-Pot Vilsmeier-Haack and Organocatalyzed Mannich Cyclizations to Functionalized Benzoindolizidines and Benzoquinolizidines.","The Journal of organic chemistry","2020","85","7","4712","4729","10.1021/acs.joc.9b03449","","x-ray","1.54186","CuKα","","0.0528","0.0396","","","0.1026","0.1097","","","","","","1.066","","","","has coordinates","250101","2020-10-21","18:00:00",""
"4038077","5.7211","0.0004","8.2943","0.0006","11.0522","0.0007","92.866","0.004","91.401","0.004","99.979","0.004","515.58","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 F6 N2 O2 -","- C24 H14 F6 N2 O2 -","- C24 H14 F6 N2 O2 -","1","0.5","","Das, Tamal Kanti; Madica, Krishnaprasad; Krishnan, Jagadeesh; Marelli, Udaya Kiran; Biju, Akkattu T.","N-Heterocyclic Carbene Catalysis Exploiting Oxidative Imine Umpolung for the Generation of Imidoyl Azoliums.","The Journal of organic chemistry","2020","85","7","5114","5121","10.1021/acs.joc.0c00360","","","0.71073","MoKα","","0.0706","0.041","","","0.1031","0.1193","","","","","","1.03","","","","has coordinates","250104","2020-10-21","18:00:00",""
"4038078","11.4534","0.0006","27.6502","0.0015","9.7523","0.0005","90","","90","","90","","3088.4","0.3","150","","150","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C22 H15 N3 -","- C22 H15 N3 -","- C176 H120 N24 -","8","1","","Yee, Nathan; Dadvand, Afshin; Perepichka, Dmitrii F.","Serendipitous Formation of Semiconducting Semi-Nindigo Indigoid by the Degradation of Diindolopyrrole.","The Journal of organic chemistry","2020","85","7","5073","5077","10.1021/acs.joc.0c00054","","x-ray","1.34139","GaKα","","0.0663","0.0551","","","0.1256","0.1328","","","","","","1.107","","","","has coordinates","250111","2020-10-21","18:00:00",""
"4038079","12.0036","0.0003","24.1961","0.0006","15.6222","0.0004","90","","107.779","0.003","90","","4320.6","0.2","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H33 B2 N O4 -","- C20 H33 B2 N O4 -","- C160 H264 B16 N8 O32 -","8","1","","Sarkar, Nabin; Bera, Subhadeep; Nembenna, Sharanappa","Aluminum-Catalyzed Selective Hydroboration of Nitriles and Alkynes: A Multifunctional Catalyst.","The Journal of organic chemistry","2020","85","7","4999","5009","10.1021/acs.joc.0c00234","","x-ray","1.54184","CuKα","","0.0652","0.0607","","","0.162","0.1688","","","","","","1.058","","","","has coordinates","250106","2020-10-21","18:00:00",""
"4038080","15.7533","0.0006","20.3581","0.0009","28.1812","0.0012","90","","90","","90","","9037.9","0.7","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H55 Al N5 -","- C42 H55 Al N5 -","- C336 H440 Al8 N40 -","8","1","","Sarkar, Nabin; Bera, Subhadeep; Nembenna, Sharanappa","Aluminum-Catalyzed Selective Hydroboration of Nitriles and Alkynes: A Multifunctional Catalyst.","The Journal of organic chemistry","2020","85","7","4999","5009","10.1021/acs.joc.0c00234","","x-ray","0.71073","MoKα","","0.1481","0.0917","","","0.2864","0.345","","","","","","1.055","","","","has coordinates","250106","2020-10-21","18:00:00",""
"4038081","10.0988","0.0002","9.9019","0.0002","13.2271","0.0003","90","","97.768","0.001","90","","1310.54","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H28 N2 O6 S -","- C27 H28 N2 O6 S -","- C54 H56 N4 O12 S2 -","2","1","","Han, Pan; Mao, Zhuo-Ya; Li, Ming; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang","Synthesis of Amide Enol Carbamates and Carbonates through Cu(OTf)<sub>2</sub>-Catalyzed Reactions of Ynamides with <i>t</i>-Butyl Carbamates/Carbonates.","The Journal of organic chemistry","2020","85","7","4740","4752","10.1021/acs.joc.9b03512","","","0.71073","MoKα","","0.0372","0.0318","","","0.0758","0.0794","","","","","","1.052","","","","has coordinates","250116","2020-10-21","18:00:00",""
"4038082","8.3713","0.001","12.9078","0.0015","13.4996","0.0015","73.9","0.004","73.965","0.004","79.977","0.004","1339.4","0.3","274","2","274","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Br N2 O5 S -","- C28 H29 Br N2 O5 S -","- C56 H58 Br2 N4 O10 S2 -","2","1","","Han, Pan; Mao, Zhuo-Ya; Li, Ming; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang","Synthesis of Amide Enol Carbamates and Carbonates through Cu(OTf)<sub>2</sub>-Catalyzed Reactions of Ynamides with <i>t</i>-Butyl Carbamates/Carbonates.","The Journal of organic chemistry","2020","85","7","4740","4752","10.1021/acs.joc.9b03512","","","1.54178","cukα","","0.0486","0.0472","","","0.1154","0.1178","","","","","","1.061","","","","has coordinates","250116","2020-10-21","18:00:00",""
"4038083","12.1056","0.0003","18.4895","0.0005","27.4703","0.0007","90","","96.269","0.002","90","","6111.8","0.3","220","0.1","220","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H88.2 Cl3 F0.9 N8 O9.1 -","- C56 H88.2 Cl3 F0.9 N8 O9.1 -","- C224 H352.8 Cl12 F3.6 N32 O36.4 -","4","1","","Delecluse, Magalie; Colomban, Cédric; Chatelet, Bastien; Chevallier-Michaud, Sabine; Moraleda, Delphine; Dutasta, Jean-Pierre; Martinez, Alexandre","Highly Selective Fluoride Recognition by a Small Tris-Urea Covalent Cage.","The Journal of organic chemistry","2020","85","7","4706","4711","10.1021/acs.joc.9b03429","","x-ray","1.54184","CuKα","","0.1206","0.0894","","","0.2549","0.287","","","","","","1.021","","","","has coordinates,has disorder","250105","2020-10-21","18:00:00",""
"4038084","7.3636","0.001","27.079","0.004","11.2689","0.0015","90","","95.314","0.002","90","","2237.3","0.5","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 O6 -","- C23 H36 O6 -","- C92 H144 O24 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0665","0.0428","","","0.0891","0.0989","","","","","","1.02","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038085","10.142","0.003","11.29","0.003","13.629","0.003","83.009","0.003","73.442","0.003","70.541","0.003","1409.8","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H46 O5 Si -","- C27 H46 O5 Si -","- C54 H92 O10 Si2 -","2","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0461","0.0407","","","0.1144","0.1197","","","","","","1.01","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038086","13.152","0.002","16.857","0.003","12.706","0.002","90","","107.727","0.003","90","","2683.2","0.8","296","2","296.15","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C27 H42 O7 -","- C27 H42 O7 -","- C108 H168 O28 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.1257","0.0773","","","0.1928","0.231","","","","","","1.026","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038087","9.5936","0.0012","11.1608","0.0015","14.6705","0.0018","69.414","0.007","79.03","0.007","68.15","0.007","1361.7","0.3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H42 O5 Si -","- C25 H42 O5 Si -","- C50 H84 O10 Si2 -","2","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0658","0.0475","","","0.1211","0.1335","","","","","","1.028","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038088","13.878","0.007","17.626","0.008","20.717","0.01","90","","97.877","0.009","90","","5020","4","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 O5 -","- C25 H38 O5 -","- C200 H304 O40 -","8","2","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.1122","0.0566","","","0.1289","0.1567","","","","","","1.003","","","","has coordinates,has disorder","250108","2020-10-21","18:00:00",""
"4038089","11.6702","0.0002","18.6897","0.0003","21.5803","0.0004","90","","90","","90","","4706.93","0.14","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H40 O5 -","- C25 H40 O5 -","- C200 H320 O40 -","8","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","1.54178","CuKα","","0.0421","0.0391","","","0.1089","0.1113","","","","","","1.021","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4038090","8.674","0.001","11.5004","0.0013","23.904","0.003","90","","90","","90","","2384.5","0.5","150","2","150.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 O6 -","- C25 H40 O6 -","- C100 H160 O24 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0617","0.0383","","","0.0977","0.1138","","","","","","0.676","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038091","8.2593","0.0009","28.326","0.003","10.769","0.0012","90","","90.695","0.001","90","","2519.3","0.5","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 O5 Si -","- C24 H42 O5 Si -","- C96 H168 O20 Si4 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0443","0.0372","","","0.0925","0.0964","","","","","","1.043","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038092","8.5906","0.001","7.0884","0.0008","20.553","0.002","90","","90","","90","","1251.5","0.2","100","2","100.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C7 H8 O3 -","- C7 H8 O3 -","- C56 H64 O24 -","8","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0546","0.0425","","","0.0991","0.1043","","","","","","1.075","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4038093","7.8382","0.0005","16.7731","0.0011","9.7678","0.0006","90","","101.18","0.001","90","","1259.81","0.14","100","2","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0394","0.0363","","","0.0947","0.0975","","","","","","1.039","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038094","13.1931","0.0007","9.645","0.0005","15.711","0.0008","90","","98.127","0.001","90","","1979.11","0.18","150","2","150.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C88 H120 O16 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0422","0.0363","","","0.0929","0.0966","","","","","","1.045","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038095","32.983","0.005","19.298","0.003","31.32","0.004","90","","98.677","0.002","90","","19707","5","150","2","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H38 N2 O4 -","- C27 H38 N2 O4 -","- C864 H1216 N64 O128 -","32","4","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.1303","0.0688","","","0.1778","0.2284","","","","","","1.014","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038096","5.9092","0.0007","7.1583","0.0009","9.1902","0.0011","92.766","0.001","105.442","0.001","108.026","0.001","352.68","0.07","100","2","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C7 H12 O3 -","- C7 H12 O3 -","- C14 H24 O6 -","2","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0346","0.0339","","","0.0902","0.0908","","","","","","1.079","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038097","13.0633","0.0008","7.8253","0.0005","13.0916","0.0008","90","","106.413","0.001","90","","1283.74","0.14","100","2","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","2","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0242","0.0231","","","0.0565","0.0572","","","","","","1.041","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038098","13.1127","0.0007","7.7038","0.0004","14.0568","0.0007","90","","97.859","0.004","90","","1406.65","0.13","170","0.1","170","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H35 F3 O6 Si -","- C25 H35 F3 O6 Si -","- C50 H70 F6 O12 Si2 -","2","1","","Kim, Jae Hyun; Song, Yeonghun; Kim, Min Jung; Kim, Sanghee","Asymmetric Total Synthesis of Inthomycins A, B, and C.","The Journal of organic chemistry","2020","85","7","4795","4806","10.1021/acs.joc.0c00017","","x-ray","0.71073","MoKα","","0.0658","0.0484","","","0.0953","0.1043","","","","","","1.06","","","","has coordinates","250117","2020-10-21","18:00:00",""
"4038099","9.7717","0.0016","8.6052","0.0011","6.3132","0.0009","90","","90","","90","","530.86","0.13","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H7 N O2 S -","- C4 H7 N O2 S -","- C16 H28 N4 O8 S4 -","4","0.5","","Blahun, Oleksandr P.; Rozhenko, Alexander B.; Rusanov, Eduard; Zhersh, Serhii; Tolmachev, Andrey A.; Volochnyuk, Dmitriy M.; Grygorenko, Oleksandr O.","Twisting and turning the sulfonamide bond: synthetic, quantum chemical and crystallographic study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03394","","","0.71073","MoKα","","0.0447","0.036","","","0.09","0.0949","","","","","","1.057","","","","has coordinates","249676","2020-10-21","18:00:00",""
"4038100","6.4204","0.0011","11.0682","0.0019","8.9552","0.0011","90","","96.211","0.005","90","","632.64","0.17","173","1","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H9 N O2 S -","- C5 H9 N O2 S -","- C20 H36 N4 O8 S4 -","4","1","","Blahun, Oleksandr P.; Rozhenko, Alexander B.; Rusanov, Eduard; Zhersh, Serhii; Tolmachev, Andrey A.; Volochnyuk, Dmitriy M.; Grygorenko, Oleksandr O.","Twisting and turning the sulfonamide bond: synthetic, quantum chemical and crystallographic study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03394","","","0.71073","MoKα","","0.0339","0.0304","","","0.086","0.0885","","","","","","1.018","","","","has coordinates","249678","2020-10-21","18:00:00",""
"4038101","5.4761","0.0002","8.8259","0.0003","6.3408","0.0002","90","","101.156","0.002","90","","300.67","0.018","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H9 N O2 S -","- C4 H9 N O2 S -","- C8 H18 N2 O4 S2 -","2","0.5","","Blahun, Oleksandr P.; Rozhenko, Alexander B.; Rusanov, Eduard; Zhersh, Serhii; Tolmachev, Andrey A.; Volochnyuk, Dmitriy M.; Grygorenko, Oleksandr O.","Twisting and turning the sulfonamide bond: synthetic, quantum chemical and crystallographic study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03394","","","0.71073","MoKα","","0.0311","0.0295","","","0.0787","0.0807","","","","","","1.006","","","","has coordinates","249679","2020-10-21","18:00:00",""
"4038102","6.6488","0.0003","9.8314","0.0005","11.561","0.0006","90","","90","","90","","755.71","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 N O2 S -","- C6 H11 N O2 S -","- C24 H44 N4 O8 S4 -","4","1","","Blahun, Oleksandr P.; Rozhenko, Alexander B.; Rusanov, Eduard; Zhersh, Serhii; Tolmachev, Andrey A.; Volochnyuk, Dmitriy M.; Grygorenko, Oleksandr O.","Twisting and turning the sulfonamide bond: synthetic, quantum chemical and crystallographic study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03394","","","0.71073","MoKα","","0.0803","0.0451","","","0.089","0.1014","","","","","","0.923","","","","has coordinates,has disorder","249680","2020-10-21","18:00:00",""
"4038103","20.487","0.0009","7.8317","0.0003","10.8348","0.0004","90","","121.185","0.004","90","","1487.22","0.12","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H11 N O2 S -","- C6 H11 N O2 S -","- C48 H88 N8 O16 S8 -","8","1","","Blahun, Oleksandr P.; Rozhenko, Alexander B.; Rusanov, Eduard; Zhersh, Serhii; Tolmachev, Andrey A.; Volochnyuk, Dmitriy M.; Grygorenko, Oleksandr O.","Twisting and turning the sulfonamide bond: synthetic, quantum chemical and crystallographic study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03394","","","0.71073","MoKα","","0.0547","0.0402","","","0.0934","0.0976","","","","","","0.971","","","","has coordinates","249681","2020-10-21","18:00:00",""
"4038104","8.0536","0.0003","6.891","0.0003","11.5341","0.0004","90","","98.817","0.002","90","","632.55","0.04","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 N O2 S -","- C5 H9 N O2 S -","- C20 H36 N4 O8 S4 -","4","1","","Blahun, Oleksandr P.; Rozhenko, Alexander B.; Rusanov, Eduard; Zhersh, Serhii; Tolmachev, Andrey A.; Volochnyuk, Dmitriy M.; Grygorenko, Oleksandr O.","Twisting and turning the sulfonamide bond: synthetic, quantum chemical and crystallographic study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03394","","","0.71073","MoKα","","0.0512","0.0408","","","0.0942","0.0994","","","","","","1.042","","","","has coordinates","249682","2020-10-21","18:00:00",""
"4038105","14.58","0.006","21.854","0.01","15.012","0.007","90","","94.439","0.008","90","","4769","4","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H66 B Cu F4 N6 -","- C50 H66 B Cu F4 N6 -","- C200 H264 B4 Cu4 F16 N24 -","4","1","","Lazreg, Faïma; Vasseur, Marie; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Aerobic synthesis of N-sulfonylamidines mediated by N-heterocyclic carbene copper(I) catalysts","Beilstein Journal of Organic Chemistry","2020","16","","482","491","10.3762/bjoc.16.43","","","0.71075","MoKα","","0.1081","0.0939","","","0.2495","0.2634","","","","","","0.973","","","","has coordinates","258202","2020-10-21","18:00:00",""
"4038106","12.7795","0.0014","14.5381","0.0015","16.8715","0.0019","88.893","0.006","76.742","0.005","67.949","0.005","2820.1","0.5","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C55.5 H79 B Cl2 Cu F4 N5 -","- C55.5 H73 B Cl2 Cu F4 N5 -","- C111 H146 B2 Cl4 Cu2 F8 N10 -","2","1","","Lazreg, Faïma; Vasseur, Marie; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Aerobic synthesis of N-sulfonylamidines mediated by N-heterocyclic carbene copper(I) catalysts","Beilstein Journal of Organic Chemistry","2020","16","","482","491","10.3762/bjoc.16.43","","","0.71075","MoKα","","0.1323","0.0757","","","0.1864","0.2153","","","","","","1.044","","","","has coordinates","258202","2020-10-21","18:00:00",""
"4038107","11.568","0.002","14.868","0.002","20.299","0.003","90","","103.248","0.003","90","","3398.4","0.9","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 Cu F3 N3 O3 S -","- C33 H41 Cu F3 N3 O3 S -","- C132 H164 Cu4 F12 N12 O12 S4 -","4","1","","Lazreg, Faïma; Vasseur, Marie; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Aerobic synthesis of N-sulfonylamidines mediated by N-heterocyclic carbene copper(I) catalysts","Beilstein Journal of Organic Chemistry","2020","16","","482","491","10.3762/bjoc.16.43","","","0.71075","MoKα","","0.0495","0.0422","","","0.114","0.1176","","","","","","1.058","","","","has coordinates","258202","2020-10-21","18:00:00",""
"4038108","6.1955","0.0002","13.6351","0.0005","17.2061","0.0006","90","","90","","90","","1453.51","0.09","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 O6 P -","- C14 H17 O6 P -","- C56 H68 O24 P4 -","4","1","","Hernández-Guerra, Daniel; Kennedy, Alan R.; León, Elisa I; Martín, Ángeles; Pérez-Martín, Inés; Rodríguez, María S; Suárez, Ernesto","Synthetic Approaches to Phosphasugars (2-oxo-1,2-oxaphosphacyclanes) Using the Anomeric Alkoxyl Radical β-Fragmentation Reaction as the Key Step.","The Journal of organic chemistry","2020","85","7","4861","4880","10.1021/acs.joc.0c00059","","","0.71073","MoKα","","0.0637","0.046","","","0.0826","0.0897","","","","","","1.019","","","","has coordinates","250102","2020-10-21","18:00:00",""
"4038109","12.5295","0.001","6.114","0.0004","24.4215","0.0018","90","","104.339","0.003","90","","1812.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","Parveen, Naziya; Sekar, Govindasamy","Palladium Nanoparticle-Catalyzed Stereoselective Domino Synthesis of 3-Allylidene-2(3<i>H</i>)-oxindoles and 3-Allylidene-2(3<i>H</i>)-benzofuranones.","The Journal of organic chemistry","2020","85","7","4682","4694","10.1021/acs.joc.9b03397","","","0.71073","MoKα","","0.0891","0.0433","","","0.0976","0.1191","","","","","","1.005","","","","has coordinates","250109","2020-10-21","18:00:00",""
"4038110","20.5819","0.0009","12.8776","0.0005","13.9465","0.0006","90","","102.536","0.0017","90","","3608.3","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C168 H152 N8 O24 -","8","1","","Parveen, Naziya; Sekar, Govindasamy","Palladium Nanoparticle-Catalyzed Stereoselective Domino Synthesis of 3-Allylidene-2(3<i>H</i>)-oxindoles and 3-Allylidene-2(3<i>H</i>)-benzofuranones.","The Journal of organic chemistry","2020","85","7","4682","4694","10.1021/acs.joc.9b03397","","","0.71073","MoKα","","0.0757","0.0464","","","0.1206","0.1414","","","","","","1.03","","","","has coordinates","250109","2020-10-21","18:00:00",""
"4038111","14.253","0.0006","8.2293","0.0003","16.3693","0.0008","90","","98.613","0.002","90","","1898.34","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Parveen, Naziya; Sekar, Govindasamy","Palladium Nanoparticle-Catalyzed Stereoselective Domino Synthesis of 3-Allylidene-2(3<i>H</i>)-oxindoles and 3-Allylidene-2(3<i>H</i>)-benzofuranones.","The Journal of organic chemistry","2020","85","7","4682","4694","10.1021/acs.joc.9b03397","","","0.71073","MoKα","","0.0529","0.039","","","0.093","0.1049","","","","","","1.052","","","","has coordinates","250109","2020-10-21","18:00:00",""
"4038112","9.7179","0.0009","12.4696","0.0012","7.5883","0.0008","90","","106.874","0.005","90","","879.95","0.15","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C23 H15 Cl O2 -","- C23 H15 Cl O2 -","- C46 H30 Cl2 O4 -","2","1","","Parveen, Naziya; Sekar, Govindasamy","Palladium Nanoparticle-Catalyzed Stereoselective Domino Synthesis of 3-Allylidene-2(3<i>H</i>)-oxindoles and 3-Allylidene-2(3<i>H</i>)-benzofuranones.","The Journal of organic chemistry","2020","85","7","4682","4694","10.1021/acs.joc.9b03397","","","0.71073","MoKα","","0.0662","0.0426","","","0.1006","0.1142","","","","","","1.041","","","","has coordinates","250109","2020-10-21","18:00:00",""
"4038113","8.1334","0.0003","31.8582","0.0016","9.231","0.0005","90","","110.33","0.002","90","","2242.9","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C108 H100 N4 O16 -","4","1","","Parveen, Naziya; Sekar, Govindasamy","Palladium Nanoparticle-Catalyzed Stereoselective Domino Synthesis of 3-Allylidene-2(3<i>H</i>)-oxindoles and 3-Allylidene-2(3<i>H</i>)-benzofuranones.","The Journal of organic chemistry","2020","85","7","4682","4694","10.1021/acs.joc.9b03397","","","0.71073","MoKα","","0.0808","0.0472","","","0.1025","0.122","","","","","","1.029","","","","has coordinates","250109","2020-10-21","18:00:00",""
"4038114","9.424","0.009","9.68","0.009","13.829","0.01","90","","94.214","0.006","90","","1258.1","1.9","100","2","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 O2 S2 -","- C15 H8 O2 S2 -","- C60 H32 O8 S8 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0371","0.0339","","","0.0919","0.0947","","","","","","1.064","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038115","15.3775","0.0011","7.2583","0.0006","11.0501","0.0009","90","","90","","90","","1233.35","0.17","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H8 O2 S2 -","- C15 H8 O2 S2 -","- C60 H32 O8 S8 -","4","0.5","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.056","0.0475","","","0.1193","0.1243","","","","","","1.131","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038116","9.559","0.013","5.316","0.005","17.355","0.016","90","","92.38","0.12","90","","881.1","1.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 O2 -","- C13 H8 O2 -","- C52 H32 O8 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","1.54184","CuKα","","0.1021","0.0779","","","0.1968","0.2149","","","","","","1.455","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038117","13.357","0.01","12.364","0.009","7.308","0.005","90","","118.676","0.016","90","","1058.9","1.3","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C13 H6 Cl2 O2 -","- C13 H6 Cl2 O2 -","- C52 H24 Cl8 O8 -","4","0.5","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0292","0.026","","","0.0992","0.104","","","","","","0.865","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038118","9.217","0.011","12.573","0.009","9.542","0.008","90","","99.09","0.05","90","","1091.9","1.8","100","","99.96","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 O4 -","- C15 H8 O4 -","- C60 H32 O16 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0409","0.0363","","","0.087","0.0901","","","","","","1.045","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038119","9.457","0.003","9.423","0.004","13.368","0.005","90","","90.586","0.016","90","","1191.2","0.8","109","2","109.4","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 O3 S -","- C15 H8 O3 S -","- C60 H32 O12 S4 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0716","0.0562","","","0.1179","0.1227","","","","","","1.128","","","","has coordinates,has disorder","250097","2020-10-21","18:00:00",""
"4038120","11.825","0.015","17.04","0.03","16.23","0.02","90","","109.86","0.03","90","","3076","8","100","2","100.06","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H12 O4 -","- C21 H12 O4 -","- C168 H96 O32 -","8","2","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0914","0.0684","","","0.1686","0.183","","","","","","1.09","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4038121","17.395","0.008","9.112","0.004","10.203","0.003","90","","90","","90","","1617.2","1.1","100.01","","100.01","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H12 O4 -","- C23 H12 O4 -","- C92 H48 O16 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0364","0.0342","","","0.0925","0.0944","","","","","","1.085","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038122","13.845","0.005","13.921","0.005","18.938","0.007","90","","90","","90","","3650","2","100","2","100.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H14 O4 -","- C25 H14 O4 -","- C200 H112 O32 -","8","2","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0506","0.0404","","","0.0794","0.0839","","","","","","1.074","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038123","8.351","0.004","21.414","0.006","13.48","0.004","90","","90","","90","","2410.6","1.5","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C33 H18 O4 -","- C33 H18 O4 -","- C132 H72 O16 -","4","0.5","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0375","0.0362","","","0.1175","0.1194","","","","","","1.071","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038124","5.3479","0.0008","17.257","0.003","28.107","0.004","90","","90","","90","","2594","0.7","100","","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H20 Cl2 O4 -","- C34 H20 Cl2 O4 -","- C136 H80 Cl8 O16 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0612","0.0496","","","0.1251","0.1312","","","","","","1.039","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038125","26.405","0.003","29.054","0.003","13.1898","0.0011","90","","105.232","0.003","90","","9763.4","1.7","100","2","99.89","","","","","","","","","6","C 1 2/m 1","-C 2y","12","none","","","- C132 H204 Cl36 Cu12 N48 O49.66 -","- C132 H204 Cl36 Cu12 N48 O49.664 -","- C264 H408 Cl72 Cu24 N96 O99.328 -","2","0.25","","Yepremyan, Akop; Mekhail, Magy A.; Niebuhr, Brian P.; Pota, Kristof; Sadagopan, Nishanth; Schwartz, Timothy M.; Green, Kayla N.","Synthesis of 12-Membered Tetra-aza Macrocyclic Pyridinophanes Bearing Electron-Withdrawing Groups.","The Journal of organic chemistry","2020","85","7","4988","4998","10.1021/acs.joc.0c00188","","","0.71073","MoKα","","0.0851","0.0617","","","0.119","0.1309","","","","","","1.059","","","","has coordinates","250098","2020-10-21","18:00:00",""
"4038126","11.471","0.001","7.8357","0.0007","24.225","0.003","90","","90.475","0.003","90","","2177.3","0.4","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Fe(L8)","","","- C13 H20 Cl2 F6 N4 O6 S2 -","- C13 H20 Cl2 F6 N4 O6 S2 -","- C52 H80 Cl8 F24 N16 O24 S8 -","4","1","","Yepremyan, Akop; Mekhail, Magy A.; Niebuhr, Brian P.; Pota, Kristof; Sadagopan, Nishanth; Schwartz, Timothy M.; Green, Kayla N.","Synthesis of 12-Membered Tetra-aza Macrocyclic Pyridinophanes Bearing Electron-Withdrawing Groups.","The Journal of organic chemistry","2020","85","7","4988","4998","10.1021/acs.joc.0c00188","","","0.71073","MoKα","","0.0437","0.0306","","","0.071","0.0778","","","","","","1.0641","","","","has coordinates","250098","2020-10-21","18:00:00",""
"4038127","8.3484","0.0009","8.596","0.0008","10.5662","0.0008","94.799","0.007","97.856","0.007","97.882","0.008","739.98","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C34 H42 N2 O6 -","2","1","","Rinaldi, Antonia; Langé, Vittoria; Scarpi, Dina; Occhiato, Ernesto G.","One-Pot Access to 1,7a-Dihydro-1,3a-ethano-indene and 1,8a-Dihydro-1,3a-ethano-azulene Skeletons by a Sequential Gold(I)-Catalyzed Propargyl Claisen Rearrangement/Nazarov Cyclization/[4+2] Cycloaddition Reaction.","The Journal of organic chemistry","2020","85","7","5078","5086","10.1021/acs.joc.0c00088","","x-ray","1.54184","CuKα","","0.1385","0.0928","","","0.2293","0.3109","","","","","","1.071","","","","has coordinates","250103","2020-10-21","18:00:00",""
"4038128","7.7659","0.0004","24.493","0.0011","11.05","0.0005","90","","102.439","0.005","90","","2052.48","0.17","100","0.1","100","0","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 O2 -","- C29 H22 O2 -","- C116 H88 O8 -","4","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.1624","0.1103","","","0.2986","0.3674","","","","","","1.099","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038129","7.63396","0.00009","24.8669","0.0002","11.3736","0.0001","90","","102.352","0.001","90","","2109.1","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 S2 -","- C29 H22 S2 -","- C116 H88 S8 -","4","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.037","0.0367","","","0.0983","0.0986","","","","","","1.078","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038130","30.826","0.003","30.826","0.003","10.4869","0.0012","90","","90","","90","","9965.1","1.8","100","0.1","100","0.1","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C33 H32 N2 -","- C33 H32 N2 -","- C528 H512 N32 -","16","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.1888","0.0896","","","0.1662","0.2107","","","","","","0.897","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038131","25.198","0.002","8.1409","0.0003","17.1786","0.0008","90","","105.547","0.005","90","","3395","0.3","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H12 O S2 -","- C25 H12 O S2 -","- C200 H96 O8 S16 -","8","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","x-ray","1.54184","CuKα","","0.1119","0.0936","","","0.2509","0.2654","","","","","","1.038","","","","has coordinates,has disorder","250107","2020-10-21","18:00:00",""
"4038132","4.8822","0.0002","24.2724","0.0011","18.1588","0.0008","90","","111.851","0.005","90","","1997.27","0.17","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 N2 O -","- C29 H22 N2 O -","- C116 H88 N8 O4 -","4","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","0.71073","MoKα","","0.0833","0.0541","","","0.1149","0.1275","","","","","","1.022","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038133","28.0545","0.0005","28.0545","0.0005","5.2665","0.0002","90","","90","","90","","4145.03","0.19","100","0.1","100","0.1","","","","","","","","4","I -4","I -4","82","","","","- C59 H52 N4 O -","- C59 H48 N4 O -","- C236 H192 N16 O4 -","4","0.5","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.0422","0.0392","","","0.1013","0.1034","","","","","","1.045","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038134","28.056","0.0004","28.056","0.0004","5.2757","0.0002","90","","90","","90","","4152.71","0.18","100","0.1","100","0.1","","","","","","","","3","I -4","I -4","82","","","","- C118 H99 N9 -","- C118 H96 N9 -","- C236 H192 N18 -","2","0.25","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.0437","0.0398","","","0.0974","0.0992","","","","","","1.072","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038135","28.0572","0.0004","28.0572","0.0004","5.2734","0.0001","90","","90","","90","","4151.25","0.11","100","0.1","100","0.1","","","","","","","","4","I -4","I -4","82","","","","- C61 H54 N4 O -","- C61 H48 N4 O -","- C244 H192 N16 O4 -","4","0.5","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.0449","0.0441","","","0.1332","0.134","","","","","","1.087","","","","has coordinates,has disorder","250107","2020-10-21","18:00:00",""
"4038136","16.6762","0.0008","15.5082","0.0006","6.1829","0.0001","90","","90","","90","","1599.01","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Banjare, Shyam Kumar; Biswal, Pragati; Ravikumar, Ponneri Chandrababu","Cobalt-Catalyzed One-Step Access to Pyroquilon and C-7 Alkenylation of Indoline with Activated Alkenes Using Weakly Coordinating Functional Group.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00023","","x-ray","1.54184","CuKα","","0.1039","0.0795","","","0.1977","0.2221","","","","","","1.02","","","","has coordinates","249800","2020-10-21","18:00:00",""
"4038137","15.8646","0.001","5.3549","0.0003","10.5519","0.0006","90","","90","","90","","896.42","0.09","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H10 F N O -","- C11 H10 F N O -","- C44 H40 F4 N4 O4 -","4","1","","Banjare, Shyam Kumar; Biswal, Pragati; Ravikumar, Ponneri Chandrababu","Cobalt-Catalyzed One-Step Access to Pyroquilon and C-7 Alkenylation of Indoline with Activated Alkenes Using Weakly Coordinating Functional Group.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00023","","x-ray","0.71073","MoKα","","0.0692","0.059","","","0.161","0.171","","","","","","1.033","","","","has coordinates","249801","2020-10-21","18:00:00",""
"4038138","15.8628","0.0009","10.9634","0.0006","16.5749","0.0009","90","","117.617","0.0019","90","","2554.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N O4 S -","- C12 H15 N O4 S -","- C96 H120 N8 O32 S8 -","8","2","","Yuan, Yang; Chen, Bo; Zhang, Youcan; Wu, Xiao-Feng","Pd/C-Catalyzed Carbonylative Synthesis of α-Carbonyl-α'-Amide Sulfoxonium Ylides from Azides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00273","","","0.71073","MoKα","","0.0428","0.0351","","","0.0912","0.0986","","","","","","1.068","","","","has coordinates","249802","2020-10-21","18:00:00",""
"4038139","6.2091","0.0007","11.431","0.0014","31.863","0.004","90","","94.557","0.004","90","","2254.4","0.5","100","2","100","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C29 H27 N3 -","- C29 H27 N3 -","- C116 H108 N12 -","4","2","","Chang, Meng-Yang; Tsai, Yu-Lin","One-Pot Amberlyst 15-Controlled Cyclocondensation of Piperidines and Arylaldehydes. Synthesis of 3,5-Diarylmethyl Pyridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03315","","","0.71073","MoKα","","0.0691","0.0471","","","0.107","0.1236","","","","","","1.079","","","","has coordinates","249803","2020-10-21","18:00:00",""
"4038140","7.5972","0.0002","23.8844","0.0006","15.6911","0.0003","90","","90.8293","0.001","90","","2846.92","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H37 O3 P -","- C36 H37 O3 P -","- C144 H148 O12 P4 -","4","1","","Rahman, Md Shafiqur; Yoshikai, Naohiko","Synthesis of triphenylene-fused phosphole oxides via C‒H functionalizations","Beilstein Journal of Organic Chemistry","2020","16","","524","529","10.3762/bjoc.16.48","","","0.71073","MoKα","","0.0788","0.0521","","","0.1011","0.1137","","","","","","1.075","","","","has coordinates","258199","2020-10-21","18:00:00",""
"4038141","8.2025","0.0004","8.57","0.0004","12.1558","0.0006","99.418","0.002","99.192","0.002","116.633","0.002","726.73","0.06","170","2","169.98","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl N O2 -","- C18 H14 Cl N O2 -","- C36 H28 Cl2 N2 O4 -","2","1","","Li, Zhenmin; Xie, Jianwei; Lu, Ping; Wang, Yanguang","Synthesis of 8-Alkoxy-5H-isochromeno[3,4-c]isoquinolines and 1-Alkoxy-4-arylisoquinolin-3-ols through Rh(III)-Catalyzed C-H Functionalization of Benzimidates with 4-Diazoisochroman-3-imines and 4-Diazoisoquinolin-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00283","","","0.71073","MoKα","","0.0692","0.0477","","","0.106","0.1214","","","","","","1.047","","","","has coordinates","249840","2020-10-21","18:00:00",""
"4038142","8.1535","0.0003","23.0669","0.0009","11.4261","0.0006","90","","96.471","0.004","90","","2135.28","0.16","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 O3 S -","- C25 H22 N2 O3 S -","- C100 H88 N8 O12 S4 -","4","1","","Li, Zhenmin; Xie, Jianwei; Lu, Ping; Wang, Yanguang","Synthesis of 8-Alkoxy-5H-isochromeno[3,4-c]isoquinolines and 1-Alkoxy-4-arylisoquinolin-3-ols through Rh(III)-Catalyzed C-H Functionalization of Benzimidates with 4-Diazoisochroman-3-imines and 4-Diazoisoquinolin-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00283","","","0.71073","MoKα","","0.0693","0.0487","","","0.1199","0.1349","","","","","","1.054","","","","has coordinates","249840","2020-10-21","18:00:00",""
"4038143","16.8351","0.0005","25.1745","0.0008","7.294","0.0002","90","","90","","90","","3091.31","0.16","170","2","170","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H13 F2 N O -","- C22 H13 F2 N O -","- C176 H104 F16 N8 O8 -","8","1","","Li, Zhenmin; Xie, Jianwei; Lu, Ping; Wang, Yanguang","Synthesis of 8-Alkoxy-5H-isochromeno[3,4-c]isoquinolines and 1-Alkoxy-4-arylisoquinolin-3-ols through Rh(III)-Catalyzed C-H Functionalization of Benzimidates with 4-Diazoisochroman-3-imines and 4-Diazoisoquinolin-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00283","","","0.71073","MoKα","","0.0571","0.044","","","0.1174","0.1298","","","","","","1.049","","","","has coordinates","249840","2020-10-21","18:00:00",""
"4038144","9.1814","0.0009","11.0147","0.0012","12.5984","0.0014","80.885","0.004","84.454","0.004","65.767","0.004","1146.4","0.2","170","2","169.99","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 N2 O4 S -","- C25 H24 N2 O4 S -","- C50 H48 N4 O8 S2 -","2","1","","Li, Zhenmin; Xie, Jianwei; Lu, Ping; Wang, Yanguang","Synthesis of 8-Alkoxy-5H-isochromeno[3,4-c]isoquinolines and 1-Alkoxy-4-arylisoquinolin-3-ols through Rh(III)-Catalyzed C-H Functionalization of Benzimidates with 4-Diazoisochroman-3-imines and 4-Diazoisoquinolin-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00283","","","0.71073","MoKα","","0.0405","0.0374","","","0.0979","0.1008","","","","","","1.038","","","","has coordinates","249840","2020-10-21","18:00:00",""
"4038145","14.297","0.005","5.3712","0.0019","14.656","0.006","90","","89.839","0.015","90","","1125.5","0.7","170","2","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 N2 O -","- C16 H10 N2 O -","- C64 H40 N8 O4 -","4","1","","Li, Zhenmin; Xie, Jianwei; Lu, Ping; Wang, Yanguang","Synthesis of 8-Alkoxy-5H-isochromeno[3,4-c]isoquinolines and 1-Alkoxy-4-arylisoquinolin-3-ols through Rh(III)-Catalyzed C-H Functionalization of Benzimidates with 4-Diazoisochroman-3-imines and 4-Diazoisoquinolin-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00283","","","0.71073","MoKα","","0.0405","0.0366","","","0.0965","0.1002","","","","","","1.062","","","","has coordinates","249840","2020-10-21","18:00:00",""
"4038146","10.2162","0.0016","14.533","0.003","16.867","0.003","90","","97.256","0.007","90","","2484.2","0.8","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(4-methoxyphenyl)-2,3-diphenylpentaleno[1,2-a]biphenylene","","- C37 H24 O -","- C37 H24 O -","- C148 H96 O4 -","4","1","","Mayer, Péter J; El Bakouri, Ouissam; Holczbauer, Tamás; Samu, Gergely F.; Janáky, Csaba; Ottosson, Henrik; London, Gábor","Structure-property relationships in unsymmetric bis(antiaromatics): Who wins the battle between pentalene and benzocyclobutadiene?","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03119","","","0.71075","MoKα","","0.111","0.0688","","","0.114","0.1272","","","","","","1.137","","","","has coordinates","249841","2020-10-21","18:00:00",""
"4038147","10.5804","0.0005","17.897","0.0006","12.255","0.0005","90","","115.276","0.005","90","","2098.41","0.17","293.1","0.1","293.1","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C49 H50 O8 -","- C49 H50 O8 -","- C98 H100 O16 -","2","1","","Li, Yulong; Xu, Zhezhe; Xie, Zhipeng; Guan, Xingchao; Xie, Zhixiang","Total Synthesis of Nominal <i>ent</i>-Chlorabietol B.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00233","","x-ray","1.54184","CuKα","","0.0512","0.0464","","","0.1148","0.1205","","","","","","1.061","","","","has coordinates","249882","2020-10-21","18:00:00",""
"4038148","18.904","0.0008","7.2383","0.0003","25.7728","0.0011","90","","96.279","0.002","90","","3505.4","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","19070z","","","- C21 H15 N O6 -","- C21 H15 N O6 -","- C168 H120 N8 O48 -","8","1","","Noland, Wayland E.; Kumar, Honnaiah Vijay; Reddi, Yernaidu; Cramer, Christopher J.; Novikov, Alexei V.; Kim, Hyejin; Zhu, Yumeng; Chin, Yoke Ching; Zhou, Yuqi; Radakovic, Predrag; Uprety, Anjola; Xie, Jun; Flick, Grant C.","Diels-Alder/Ene Reactivities of 2-(1´-Cycloalkenyl)thiophenes and 2-(1´-Cycloalkenyl)benzo[b]thiophenes with N-Phenylmaleimides: Role of Cycloalkene Ring Size on Benzothiophene and Dibenzothiophene Product Distributions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03363","","","0.71073","MoKα","","0.0499","0.0406","","","0.1031","0.1094","","","","","","1.039","","","","has coordinates","249883","2020-10-21","18:00:00",""
"4038149","7.6871","0.0017","13.649","0.003","25.234","0.005","90","","90","","90","","2647.6","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","19091z","","","- C30 H24 Br2 N2 O4 S -","- C30 H24 Br2 N2 O4 S -","- C120 H96 Br8 N8 O16 S4 -","4","1","","Noland, Wayland E.; Kumar, Honnaiah Vijay; Reddi, Yernaidu; Cramer, Christopher J.; Novikov, Alexei V.; Kim, Hyejin; Zhu, Yumeng; Chin, Yoke Ching; Zhou, Yuqi; Radakovic, Predrag; Uprety, Anjola; Xie, Jun; Flick, Grant C.","Diels-Alder/Ene Reactivities of 2-(1´-Cycloalkenyl)thiophenes and 2-(1´-Cycloalkenyl)benzo[b]thiophenes with N-Phenylmaleimides: Role of Cycloalkene Ring Size on Benzothiophene and Dibenzothiophene Product Distributions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03363","","","0.71073","MoKα","","0.0669","0.0566","","","0.1391","0.1459","","","","","","1.073","","","","has coordinates","249884","2020-10-21","18:00:00",""
"4038150","11.104","0.002","18.824","0.004","12.741","0.003","90","","90.46","0.03","90","","2663.1","1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 F N O5 S -","- C30 H28 F N O5 S -","- C120 H112 F4 N4 O20 S4 -","4","1","","Qu, Yi; Xu, Wentao; Zhang, Jingjing; Liu, Yuxiu; Li, Yongqiang; Song, Hongjian; Wang, Qingmin","Visible-Light-Mediated [2+2+1] Carbocyclization Reactions of 1,7-Enynes with Bromofluoroacetate to Form Fused Monofluorinated Cyclopenta[c]quinolin-4-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00087","","","0.71073","MoKα","","0.0799","0.0538","","","0.1226","0.1401","","","","","","1.019","","","","has coordinates","249885","2020-10-21","18:00:00",""
"4038151","56.287","0.011","11.896","0.002","16.142","0.003","90","","90","","90","","10809","3","113","2","113.15","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C29 H26 F N O5 S -","- C29 H26 F N O5 S -","- C464 H416 F16 N16 O80 S16 -","16","1","","Qu, Yi; Xu, Wentao; Zhang, Jingjing; Liu, Yuxiu; Li, Yongqiang; Song, Hongjian; Wang, Qingmin","Visible-Light-Mediated [2+2+1] Carbocyclization Reactions of 1,7-Enynes with Bromofluoroacetate to Form Fused Monofluorinated Cyclopenta[c]quinolin-4-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00087","","","0.71073","MoKα","","0.0684","0.0627","","","0.1691","0.1757","","","","","","1.069","","","","has coordinates","249886","2020-10-21","18:00:00",""
"4038152","11.9373","0.0007","17.1695","0.0008","19.1617","0.0011","90","","106.874","0.006","90","","3758.2","0.4","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H53 N O8 -","- C45 H53 N O8 -","- C180 H212 N4 O32 -","4","1","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","x-ray","1.54184","CuKα","","0.0844","0.0657","","","0.1842","0.2045","","","","","","1.057","","","","has coordinates","249887","2020-10-21","18:00:00",""
"4038153","12.4816","0.0008","13.6012","0.0015","14.6525","0.0012","64.281","0.009","77.984","0.006","77.832","0.007","2171.4","0.4","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C92.6 H116.6 F4.8 N O23.6 -","- C92.6 H116.6 F4.8 N O23.6 -","- C92.6 H116.6 F4.8 N O23.6 -","1","0.5","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","x-ray","1.54184","CuKα","","0.0881","0.073","","","0.2094","0.2282","","","","","","1.032","","","","has coordinates,has disorder","249887","2020-10-21","18:00:00",""
"4038154","12.3935","0.0009","12.7003","0.001","31.989","0.002","79.2","0.007","80.931","0.006","81.646","0.007","4849.2","0.6","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C300.75 H72 N O13.75 -","- C49 H65 N O12 -","- C196 H260 N4 O48 -","4","2","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","","0.71073","MoKα","","0.1969","0.1213","","","0.2857","0.338","","","","","","1.07","","","","has coordinates,has disorder","249887","2020-10-21","18:00:00",""
"4038155","12.5897","0.0013","12.7023","0.0013","15.9641","0.0015","77.76","0.009","75.988","0.009","73.191","0.009","2343.3","0.4","120.01","0.1","120.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C102 H126 N2 O23 -","- C102 H126 N2 O23 -","- C102 H126 N2 O23 -","1","0.5","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","x-ray","1.54184","CuKα","","0.0645","0.0494","","","0.1249","0.1353","","","","","","1.029","","","","has coordinates,has disorder","249887","2020-10-21","18:00:00",""
"4038156","50.063","0.002","16.205","0.0008","16.6954","0.0006","90","","90","","90","","13544.5","1","133","19","133","19","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C51 H63 N O10 -","- C51 H63 N O10 -","- C612 H756 N12 O120 -","12","1.5","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","x-ray","1.54184","CuKα","","0.1171","0.0996","","","0.2118","0.2222","","","","","","1.096","","","","has coordinates,has disorder","249887","2020-10-21","18:00:00",""
"4038157","50.2896","0.0007","16.4078","0.0003","16.6971","0.0004","90","","90","","90","","13777.5","0.5","120.01","0.1","120.01","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C52 H65 N O10 -","- C52 H65 N O10 -","- C624 H780 N12 O120 -","12","1.5","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","x-ray","1.54184","CuKα","","0.1073","0.0672","","","0.1665","0.1917","","","","","","1.011","","","","has coordinates,has disorder","249887","2020-10-21","18:00:00",""
"4038158","12.1038","0.0012","13.3562","0.0012","14.1984","0.0015","68.194","0.009","72.806","0.009","89.471","0.008","2022.7","0.4","120.01","0.1","120.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C47 H54 O10 -","- C47 H54 O10 -","- C94 H108 O20 -","2","1","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","x-ray","1.54184","CuKα","","0.0462","0.0377","","","0.0989","0.1063","","","","","","1.027","","","","has coordinates,has disorder","249887","2020-10-21","18:00:00",""
"4038159","14.511","0.002","14.511","0.002","10.2","0.002","90","","90","","120","","1860.1","0.5","170","0.1","170","0.1","","","","","","","","5","P 32","P 32","145","","","","- C7 H6 F3 N O2 -","- C7 H6 F3 N O2 -","- C63 H54 F27 N9 O18 -","9","3","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","","0.71073","MoKα","","0.0612","0.0451","","","0.0893","0.0969","","","","","","1.043","","","","has coordinates","249887","2020-10-21","18:00:00",""
"4038160","16.5911","0.0009","5.9508","0.0004","12.3528","0.0007","90","","93.863","0.002","90","","1216.82","0.13","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N4 -","- C14 H12 N4 -","- C56 H48 N16 -","4","1","","Zhang, Yuan; Lee, Jack Chang Hung; Reese, Matthew R.; Boscoe, Brian P.; Humphrey, John M.; Helal, Christopher J.","5-Aryl Tetrazoles from Direct C-H Arylation with Aryl Bromides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00085","","","1.54178","CuKα","","0.0424","0.0392","","","0.1115","0.1158","","","","","","1.022","","","","has coordinates","249888","2020-10-21","18:00:00",""
"4038161","13.1147","0.0005","22.827","0.0008","9.7575","0.0003","90","","98.306","0.002","90","","2890.46","0.17","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 N2 O4 S2 -","- C33 H30 N2 O4 S2 -","- C132 H120 N8 O16 S8 -","4","1","","Watanabe, Kazuhiro; Moriyama, Katsuhiko","C-H Sulfonylation via 1,3-Rearrangement of Sulfonyl Group in N-protected 3-Bissulfonimidoindole Derivatives Using Fluorine Reagent.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03498","","","1.54178","CuKα","","0.0525","0.0394","","","0.0948","0.1014","","","","","","1.048","","","","has coordinates","249939","2020-10-21","18:00:00",""
"4038162","32.963","0.003","8.7052","0.0009","15.5575","0.0015","90","","114.78","0.003","90","","4053.2","0.7","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","u180316mor1","","","- C22 H20 N2 O4 S2 -","- C22 H20 N2 O4 S2 -","- C176 H160 N16 O32 S16 -","8","1","","Watanabe, Kazuhiro; Moriyama, Katsuhiko","C-H Sulfonylation via 1,3-Rearrangement of Sulfonyl Group in N-protected 3-Bissulfonimidoindole Derivatives Using Fluorine Reagent.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03498","","","1.54178","CuKα","","0.0352","0.0343","","","0.094","0.0951","","","","","","1.067","","","","has coordinates","249940","2020-10-21","18:00:00",""
"4038163","9.7296","0.0006","28.0212","0.0017","10.7123","0.0007","90","","106.789","0.0019","90","","2796.1","0.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 N2 O4 S2 -","- C33 H30 N2 O4 S2 -","- C132 H120 N8 O16 S8 -","4","1","","Watanabe, Kazuhiro; Moriyama, Katsuhiko","C-H Sulfonylation via 1,3-Rearrangement of Sulfonyl Group in N-protected 3-Bissulfonimidoindole Derivatives Using Fluorine Reagent.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03498","","","1.54178","CuKα","","0.037","0.0368","","","0.0987","0.0989","","","","","","1.085","","","","has coordinates","249941","2020-10-21","18:00:00",""
"4038164","15.7467","0.0013","6.3268","0.0005","13.5922","0.0011","90","","101.674","0.002","90","","1326.13","0.19","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O -","- C19 H18 O -","- C76 H72 O4 -","4","1","","Zhao, Xuchen; Song, Changqing; Rainier, Jon Douglas","Photoelectrocyclization Reactions of Conjugated Cycloalkenones. Scope and Reactivity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00197","","","0.71073","MoKα","","0.0438","0.0366","","","0.1047","0.1108","","","","","","1.035","","","","has coordinates","249942","2020-10-21","18:00:00",""
"4038165","12.775","0.002","6.3219","0.001","15.637","0.003","90","","90.785","0.005","90","","1262.8","0.4","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","","Zhao, Xuchen; Song, Changqing; Rainier, Jon Douglas","Photoelectrocyclization Reactions of Conjugated Cycloalkenones. Scope and Reactivity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00197","","","0.71073","MoKα","","0.1204","0.0688","","","0.1455","0.1679","","","","","","1.031","","","","has coordinates","249943","2020-10-21","18:00:00",""
"4038166","11.6186","0.0005","11.8426","0.0007","18.1021","0.001","90","","99.144","0.005","90","","2459.1","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C112 H112 N8 O8 -","4","1","","Tang, Zhi; Peng, Lingteng; Yuan, Yu; Li, Tianjing; Qiu, Renhua; Kambe, Nobuaki","Synthesis of Triarylmethanes by Decarbonylation of 3, 3-Diaryl Benzofuranones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03433","","x-ray","0.71073","MoKα","","0.0618","0.0505","","","0.1258","0.1333","","","","","","1.049","","","","has coordinates","249944","2020-10-21","18:00:00",""
"4038167","33.9498","0.0008","21.4322","0.0005","12.1761","0.0003","90","","100.114","0.002","90","","8721.9","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C44 H65 B F2 N2 Si2 -","- C44 H65 B F2 N2 Si2 -","- C352 H520 B8 F16 N16 Si16 -","8","2","","Shimada, Takahide; Mori, Shigeki; Ishida, Masatoshi; Furuta, Hiroyuki","Regioselectively α- and β-alkynylated BODIPY dyes via gold(I)-catalyzed direct C-H functionalization and their photophysical properties.","Beilstein journal of organic chemistry","2020","16","","587","595","10.3762/bjoc.16.53","","","0.71073","MoKα","","0.0966","0.064","","","0.1419","0.1603","","","","","","1.002","","","","has coordinates","251799","2020-10-21","18:00:00",""
"4038168","19.9534","0.0004","8.04654","0.00017","25.0121","0.0005","90","","101.75","0.002","90","","3931.69","0.14","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C40 H57 B F2 N2 Si2 -","- C40 H57 B F2 N2 Si2 -","- C160 H228 B4 F8 N8 Si8 -","4","1","","Shimada, Takahide; Mori, Shigeki; Ishida, Masatoshi; Furuta, Hiroyuki","Regioselectively α- and β-alkynylated BODIPY dyes via gold(I)-catalyzed direct C-H functionalization and their photophysical properties.","Beilstein journal of organic chemistry","2020","16","","587","595","10.3762/bjoc.16.53","","","0.71073","MoKα","","0.0571","0.0462","","","0.1111","0.1174","","","","","","1.038","","","","has coordinates","251799","2020-10-21","18:00:00",""
"4038169","17.2491","0.001","7.725","0.0003","16.6517","0.001","90","","115.121","0.007","90","","2009","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 O4 S2 -","- C20 H24 N2 O4 S2 -","- C80 H96 N8 O16 S8 -","4","1","","Zhang, Zhenming; Fu, Bei; Wang, Hui; Chen, Han; Tu, Yongliang; Zhao, Junfeng","Access to (Z)-1,2-Endiamides and 1,1-Endiamides via a Base-Promoted Tandem Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03305","","x-ray","0.71073","MoKα","","0.0573","0.0457","","","0.1067","0.1131","","","","","","1.079","","","","has coordinates","249980","2020-10-21","18:00:00",""
"4038170","6.947","0.0003","14.4082","0.0007","15.4652","0.0007","90","","90","","90","","1547.97","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O4 S2 -","- C12 H18 N2 O4 S2 -","- C48 H72 N8 O16 S8 -","4","1","","Zhang, Zhenming; Fu, Bei; Wang, Hui; Chen, Han; Tu, Yongliang; Zhao, Junfeng","Access to (Z)-1,2-Endiamides and 1,1-Endiamides via a Base-Promoted Tandem Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03305","","x-ray","0.71073","MoKα","","0.0398","0.0353","","","0.0813","0.0836","","","","","","1.066","","","","has coordinates","249981","2020-10-21","18:00:00",""
"4038171","26.497","0.005","6.2682","0.0014","8.054","0.003","90","","94.61","0.03","90","","1333.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N2 O0 -","- C18 H14 N2 -","- C72 H56 N8 -","4","0.5","","Zhang, Zhenming; Fu, Bei; Wang, Hui; Chen, Han; Tu, Yongliang; Zhao, Junfeng","Access to (Z)-1,2-Endiamides and 1,1-Endiamides via a Base-Promoted Tandem Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03305","","x-ray","0.71073","MoKα","","0.0944","0.0827","","","0.2138","0.2257","","","","","","1.131","","","","has coordinates","249982","2020-10-21","18:00:00",""
"4038172","12.8072","0.001","10.7432","0.0009","14.209","0.0011","90","","98.573","0.003","90","","1933.2","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 B N O5 -","- C20 H26 B N O5 -","- C80 H104 B4 N4 O20 -","4","1","","François, Benjamin; Eberlin, Ludovic; Berrée, Fabienne; Whiting, Andrew; Carboni, Bertrand","Access to Fused Pyrroles from Cyclic 1,3-Dienyl Boronic Esters and Arylnitroso Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03214","","x-ray","0.71073","MoKα","","0.0543","0.0455","","","0.1184","0.1247","","","","","","1.038","","","","has coordinates,has disorder","249983","2020-10-21","18:00:00",""
"4038173","10.986","0.004","9.394","0.003","17.213","0.007","90","","103.123","0.013","90","","1730","1.1","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O2 S -","- C20 H20 N2 O2 S -","- C80 H80 N8 O8 S4 -","4","1","","François, Benjamin; Eberlin, Ludovic; Berrée, Fabienne; Whiting, Andrew; Carboni, Bertrand","Access to Fused Pyrroles from Cyclic 1,3-Dienyl Boronic Esters and Arylnitroso Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03214","","x-ray","0.71073","MoKα","","0.0852","0.0486","","","0.1071","0.1244","","","","","","1.003","","","","has coordinates","249984","2020-10-21","18:00:00",""
"4038174","6.1564","0.0014","11.762","0.003","16.182","0.004","90","","91.513","0.008","90","","1171.4","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H40 O4 -","- C25 H40 O4 -","- C50 H80 O8 -","2","1","","Guo, Kai; Liu, Xin; Zhou, Ting-Ting; Liu, Yan-Chun; Liu, Yan; Shi, Qiu-Mei; Li, Xiao-Nian; Li, Sheng-Hong","Gentianelloids A and B: Immunosuppressive 10,11-<i>seco</i>-Gentianellane Sesterterpenoids from the Traditional Uighur Medicine <i>Gentianella turkestanorum</i>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00272","","","1.54178","CuKα","","0.1088","0.1046","","","0.2668","0.2909","","","","","","1.346","","","","has coordinates","249985","2020-10-21","18:00:00",""
"4038175","6.3727","0.0004","11.1509","0.0007","16.5132","0.0011","90","","92.463","0.003","90","","1172.37","0.13","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H40 O4 -","- C25 H40 O4 -","- C50 H80 O8 -","2","1","","Guo, Kai; Liu, Xin; Zhou, Ting-Ting; Liu, Yan-Chun; Liu, Yan; Shi, Qiu-Mei; Li, Xiao-Nian; Li, Sheng-Hong","Gentianelloids A and B: Immunosuppressive 10,11-<i>seco</i>-Gentianellane Sesterterpenoids from the Traditional Uighur Medicine <i>Gentianella turkestanorum</i>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00272","","","1.54178","CuKα","","0.0381","0.0352","","","0.0831","0.0852","","","","","","1.059","","","","has coordinates","249986","2020-10-21","18:00:00",""
"4038176","14.4047","0.0003","15.9977","0.0003","19.8734","0.0004","90","","90","","90","","4579.67","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 O4 -","- C29 H26 O4 -","- C232 H208 O32 -","8","2","","Feng, Shubo; Yang, Binmiao; Chen, Tao; Wang, Ran; Deng, Yu-Hua; Shao, ZhiHui","Catalytic Asymmetric [4+2]-Cycloaddition of Ortho-Alkenyl Naphthols/Phenols with Ortho-Quinone Methides: Highly Stereoselective Synthesis of Chiral 2,3,4-Trisubstituted Chromans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03302","","","1.54178","CuKα","","0.0284","0.0279","","","0.07","0.0703","","","","","","1.049","","","","has coordinates,has disorder","250016","2020-10-21","18:00:00",""
"4038177","9.3826","0.0005","10.2522","0.0005","24.9343","0.0013","90","","90","","90","","2398.5","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H26 O3 -","- C32 H26 O3 -","- C128 H104 O12 -","4","1","","Feng, Shubo; Yang, Binmiao; Chen, Tao; Wang, Ran; Deng, Yu-Hua; Shao, ZhiHui","Catalytic Asymmetric [4+2]-Cycloaddition of Ortho-Alkenyl Naphthols/Phenols with Ortho-Quinone Methides: Highly Stereoselective Synthesis of Chiral 2,3,4-Trisubstituted Chromans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03302","","","1.54178","CuKα","","0.0404","0.0403","","","0.1326","0.1335","","","","","","1.222","","","","has coordinates","250017","2020-10-21","18:00:00",""
"4038178","9.8835","0.0005","10.0544","0.0005","23.4202","0.0012","90","","90","","90","","2327.3","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H25 F O3 -","- C32 H25 F O3 -","- C128 H100 F4 O12 -","4","1","","Feng, Shubo; Yang, Binmiao; Chen, Tao; Wang, Ran; Deng, Yu-Hua; Shao, ZhiHui","Catalytic Asymmetric [4+2]-Cycloaddition of Ortho-Alkenyl Naphthols/Phenols with Ortho-Quinone Methides: Highly Stereoselective Synthesis of Chiral 2,3,4-Trisubstituted Chromans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03302","","","1.54178","CuKα","","0.0736","0.0633","","","0.1893","0.199","","","","","","1.846","","","","has coordinates","250018","2020-10-21","18:00:00",""
"4038179","8.9312","0.0005","9.4412","0.0005","10.9587","0.0006","112.013","0.003","90.901","0.003","96.228","0.002","850.04","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H15 N O3 -","- C23 H15 N O3 -","- C46 H30 N2 O6 -","2","1","","Chao, Tung; Su, Zhe-Hong; Yen, Ko-Wang; Wu, Ming-Jung; Chu, Jean-Ho","Synthesis of Dibenzosuberones Bearing an Isoxazole Group via Palladium-Catalyzed Intramolecular C-H/C-Br Bond Cross-Coupling of Ortho-Aroylated 3,5-Diarylisoxazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00346","","","0.71073","MoKα","","0.0475","0.0397","","","0.1152","0.1259","","","","","","0.998","","","","has coordinates","250019","2020-10-21","18:00:00",""
"4038180","10.1968","0.0008","13.1506","0.0009","13.4564","0.0011","90","","105.042","0.004","90","","1742.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Br N O2 -","- C22 H14 Br N O2 -","- C88 H56 Br4 N4 O8 -","4","1","","Chao, Tung; Su, Zhe-Hong; Yen, Ko-Wang; Wu, Ming-Jung; Chu, Jean-Ho","Synthesis of Dibenzosuberones Bearing an Isoxazole Group via Palladium-Catalyzed Intramolecular C-H/C-Br Bond Cross-Coupling of Ortho-Aroylated 3,5-Diarylisoxazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00346","","","0.71073","MoKα","","0.0719","0.0379","","","0.0943","0.1101","","","","","","0.962","","","","has coordinates","250020","2020-10-21","18:00:00",""
"4038181","15.586","0.0004","12.4441","0.0003","17.1047","0.0004","90","","104.516","0.001","90","","3211.62","0.14","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 N O2 -","- C22 H13 N O2 -","- C176 H104 N8 O16 -","8","2","","Chao, Tung; Su, Zhe-Hong; Yen, Ko-Wang; Wu, Ming-Jung; Chu, Jean-Ho","Synthesis of Dibenzosuberones Bearing an Isoxazole Group via Palladium-Catalyzed Intramolecular C-H/C-Br Bond Cross-Coupling of Ortho-Aroylated 3,5-Diarylisoxazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00346","","","0.71073","MoKα","","0.0455","0.0343","","","0.0853","0.096","","","","","","1.058","","","","has coordinates","250021","2020-10-21","18:00:00",""
"4038182","9.8053","0.0006","13.7494","0.0008","23.7333","0.0014","90","","96.142","0.002","90","","3181.3","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C176 H120 N8 O16 -","8","2","","Chao, Tung; Su, Zhe-Hong; Yen, Ko-Wang; Wu, Ming-Jung; Chu, Jean-Ho","Synthesis of Dibenzosuberones Bearing an Isoxazole Group via Palladium-Catalyzed Intramolecular C-H/C-Br Bond Cross-Coupling of Ortho-Aroylated 3,5-Diarylisoxazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00346","","","0.71073","MoKα","","0.0992","0.0464","","","0.1042","0.1393","","","","","","1.063","","","","has coordinates","250022","2020-10-21","18:00:00",""
"4038183","18.4511","0.0007","7.9564","0.0004","21.9786","0.0014","90","","90","","90","","3226.6","0.3","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H12 Cl N O2 -","- C22 H12 Cl N O2 -","- C176 H96 Cl8 N8 O16 -","8","1","","Chao, Tung; Su, Zhe-Hong; Yen, Ko-Wang; Wu, Ming-Jung; Chu, Jean-Ho","Synthesis of Dibenzosuberones Bearing an Isoxazole Group via Palladium-Catalyzed Intramolecular C-H/C-Br Bond Cross-Coupling of Ortho-Aroylated 3,5-Diarylisoxazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00346","","","0.71073","MoKα","","0.0375","0.0311","","","0.0766","0.0829","","","","","","1.043","","","","has coordinates","250023","2020-10-21","18:00:00",""
"4038184","9.1791","0.0005","11.656","0.0005","16.4137","0.0009","90","","94.924","0.002","90","","1749.65","0.15","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Br N O2 -","- C22 H14 Br N O2 -","- C88 H56 Br4 N4 O8 -","4","1","","Chao, Tung; Su, Zhe-Hong; Yen, Ko-Wang; Wu, Ming-Jung; Chu, Jean-Ho","Synthesis of Dibenzosuberones Bearing an Isoxazole Group via Palladium-Catalyzed Intramolecular C-H/C-Br Bond Cross-Coupling of Ortho-Aroylated 3,5-Diarylisoxazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00346","","","0.71073","MoKα","","0.0231","0.0214","","","0.0575","0.0584","","","","","","1.071","","","","has coordinates,has disorder","250024","2020-10-21","18:00:00",""
"4038185","7.2343","0.0002","23.7071","0.0005","11.3591","0.0003","90","","105.831","0.001","90","","1874.24","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O4 -","- C24 H17 N O4 -","- C96 H68 N4 O16 -","4","1","","Chao, Tung; Su, Zhe-Hong; Yen, Ko-Wang; Wu, Ming-Jung; Chu, Jean-Ho","Synthesis of Dibenzosuberones Bearing an Isoxazole Group via Palladium-Catalyzed Intramolecular C-H/C-Br Bond Cross-Coupling of Ortho-Aroylated 3,5-Diarylisoxazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00346","","","0.71073","MoKα","","0.0514","0.0412","","","0.1086","0.1172","","","","","","1.021","","","","has coordinates","250025","2020-10-21","18:00:00",""
"4038186","8.0013","0.0014","28.045","0.008","11.6926","0.0019","90","","99.809","0.016","90","","2585.4","1","292.65","0.1","292.65","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Br N2 O2 -","- C13 H13 Br N2 O2 -","- C104 H104 Br8 N16 O16 -","8","2","","Chen, Lin; He, Jin","DABCO-Catalyzed Michael/Alkylation Cascade Reactions Involving α-Substituted Ammonium Ylides for the Construction of Spirocyclopropyl Oxindoles: Access to the Powerful Chemical Leads against HIV-1.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03164","","x-ray","1.54184","CuKα","","0.087","0.0664","","","0.1698","0.1998","","","","","","1.031","","","","has coordinates","250026","2020-10-21","18:00:00",""
"4038187","11.6638","0.0003","7.5007","0.0002","27.8059","0.0008","90","","90","","90","","2432.65","0.11","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H9 N3 O S -","- C14 H9 N3 O S -","- C112 H72 N24 O8 S8 -","8","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.0521","0.0391","","","0.0845","0.0914","","","","","","1.059","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038188","13.0311","0.0013","10.4176","0.001","30.827","0.003","90","","90","","90","","4184.9","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H20 N4 O3 S -","- C24 H20 N4 O3 S -","- C192 H160 N32 O24 S8 -","8","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.1051","0.0521","","","0.09","0.1022","","","","","","0.964","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038189","10.0149","0.0005","15.6728","0.0008","8.2966","0.0004","90","","102.539","0.002","90","","1271.19","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O S2 -","- C12 H13 N3 O S2 -","- C48 H52 N12 O4 S8 -","4","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.0307","0.0284","","","0.0783","0.0805","","","","","","1.086","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038190","11.4655","0.0007","12.7451","0.0008","15.4702","0.0011","90","","100.414","0.003","90","","2223.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N4 O3 Se -","- C24 H26 N4 O3 Se -","- C96 H104 N16 O12 Se4 -","4","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.036","0.0297","","","0.0738","0.0769","","","","","","1.059","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038191","15.4232","0.0008","6.0725","0.0004","24.6911","0.0015","90","","102.638","0.003","90","","2256.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N5 O2 -","- C25 H25 N5 O2 -","- C100 H100 N20 O8 -","4","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.0923","0.0628","","","0.1673","0.1978","","","","","","1.072","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038192","5.6027","0.0002","14.3253","0.0006","17.1845","0.0007","90","","98.536","0.002","90","","1363.96","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 S -","- C16 H16 N2 S -","- C64 H64 N8 S4 -","4","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.0418","0.0309","","","0.0725","0.0777","","","","","","1.036","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038193","9.4501","0.0003","9.7777","0.0003","23.5886","0.0008","90","","90","","90","","2179.59","0.12","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O3 -","- C26 H24 N2 O3 -","- C104 H96 N8 O12 -","4","1","","Zhang, Yue; Li, Jun-Kuan; Zhang, Fa-Guang; Ma, Jun-An","Catalytic Asymmetric Access to Noncanonical Chiral α-Amino Acids from Cyclic Iminoglyoxylates and Enamides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00436","","","1.54178","CuKα","","0.046","0.043","","","0.1172","0.1202","","","","","","1.009","","","","has coordinates","250421","2020-10-21","18:00:00",""
"4038194","9.2465","0.0003","7.9689","0.0003","13.2794","0.0006","90","","99.416","0.004","90","","965.3","0.07","99.9","0.3","99.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 Cl N O3 -","- C24 H20 Cl N O3 -","- C48 H40 Cl2 N2 O6 -","2","1","","Zhang, Yue; Li, Jun-Kuan; Zhang, Fa-Guang; Ma, Jun-An","Catalytic Asymmetric Access to Noncanonical Chiral α-Amino Acids from Cyclic Iminoglyoxylates and Enamides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00436","","x-ray","0.71073","MoKα","","0.0565","0.0429","","","0.0877","0.0926","","","","","","1.057","","","","has coordinates","250422","2020-10-21","18:00:00",""
"4038195","8.6867","0.0002","15.1223","0.0003","16.0874","0.0003","90","","90","","90","","2113.29","0.08","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O3 -","- C26 H24 N2 O3 -","- C104 H96 N8 O12 -","4","1","","Zhang, Yue; Li, Jun-Kuan; Zhang, Fa-Guang; Ma, Jun-An","Catalytic Asymmetric Access to Noncanonical Chiral α-Amino Acids from Cyclic Iminoglyoxylates and Enamides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00436","","","1.54178","CuKα","","0.0483","0.0432","","","0.0872","0.0907","","","","","","1.125","","","","has coordinates","250423","2020-10-21","18:00:00",""
"4038196","29.674","0.002","8.4545","0.0005","10.8501","0.0007","90","","98.249","0.007","90","","2693.9","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C112 H120 N8 O24 -","8","1","","Rahman, Md Mahbubur; Liu, Chengwei; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger A.; Wang, Qi; Chen, Hao; Szostak, Roman; Szostak, Michal","N-Acyl-Glutarimides: Effect of Glutarimide Ring on the Structures of Fully Perpendicular Twisted Amides and N-C Bond Cross-Coupling.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00227","","","0.71073","MoKα","","0.1552","0.0723","","","0.2038","0.2456","","","","","","1.034","","","","has coordinates","250425","2020-10-21","18:00:00",""
"4038197","10.8446","0.0014","6.0594","0.0007","21.418","0.002","90","","97.942","0.01","90","","1393.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Rahman, Md Mahbubur; Liu, Chengwei; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger A.; Wang, Qi; Chen, Hao; Szostak, Roman; Szostak, Michal","N-Acyl-Glutarimides: Effect of Glutarimide Ring on the Structures of Fully Perpendicular Twisted Amides and N-C Bond Cross-Coupling.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00227","","","0.71073","MoKα","","0.151","0.0562","","","0.1405","0.1625","","","","","","0.821","","","","has coordinates","250425","2020-10-21","18:00:00",""
"4038198","10.7448","0.0007","6.3538","0.0004","22.0582","0.0013","90","","97.96","0.006","90","","1491.41","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Rahman, Md Mahbubur; Liu, Chengwei; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger A.; Wang, Qi; Chen, Hao; Szostak, Roman; Szostak, Michal","N-Acyl-Glutarimides: Effect of Glutarimide Ring on the Structures of Fully Perpendicular Twisted Amides and N-C Bond Cross-Coupling.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00227","","","0.71073","MoKα","","0.0949","0.058","","","0.17","0.1866","","","","","","1.05","","","","has coordinates","250425","2020-10-21","18:00:00",""
"4038199","8.4816","0.0007","8.7359","0.0011","20.784","0.002","90","","95.956","0.01","90","","1531.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 N O3 -","- C18 H12 N O3 -","- C72 H48 N4 O12 -","4","1","","Rahman, Md Mahbubur; Liu, Chengwei; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger A.; Wang, Qi; Chen, Hao; Szostak, Roman; Szostak, Michal","N-Acyl-Glutarimides: Effect of Glutarimide Ring on the Structures of Fully Perpendicular Twisted Amides and N-C Bond Cross-Coupling.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00227","","","0.71073","MoKα","","0.17","0.0638","","","0.1705","0.2226","","","","","","0.936","","","","has coordinates","250425","2020-10-21","18:00:00",""
"4038200","7.2903","0.0005","9.2896","0.0005","11.4353","0.0007","77.524","0.005","79.007","0.006","69.24","0.006","701.52","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H11 N O3 -","- C19 H11 N O3 -","- C38 H22 N2 O6 -","2","1","","Rahman, Md Mahbubur; Liu, Chengwei; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger A.; Wang, Qi; Chen, Hao; Szostak, Roman; Szostak, Michal","N-Acyl-Glutarimides: Effect of Glutarimide Ring on the Structures of Fully Perpendicular Twisted Amides and N-C Bond Cross-Coupling.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00227","","","0.71073","MoKα","","0.0619","0.0361","","","0.0816","0.087","","","","","","0.881","","","","has coordinates","250425","2020-10-21","18:00:00",""
"4038201","6.691","0.005","29.13","0.02","14.044","0.012","90","","97.183","0.017","90","","2716","4","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H64 B4 Cl4 O8 -","- C56 H64 B4 Cl4 O8 -","- C112 H128 B8 Cl8 O16 -","2","0.5","","Kano, Haruka; Uehara, Keiji; Matsuo, Kyohei; Hayashi, Hironobu; Yamada, Hiroko; Aratani, Naoki","Direct borylation of terrylene and quaterrylene.","Beilstein journal of organic chemistry","2020","16","","621","627","10.3762/bjoc.16.58","","","0.71073","MoKα","","0.259","0.0847","","","0.1476","0.2254","","","","","","0.925","","","","has coordinates","251803","2020-10-21","18:00:00",""
"4038202","7.1061","0.0018","11.735","0.003","18.004","0.004","90","","96.144","0.005","90","","1492.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","","Chen, Yuepeng; Liu, Xinglei; Shi, Wei; Zheng, Shilong; Wang, Guangdi; He, Ling","One-Pot Synthesis of Seven-Membered Heterocyclic Derivatives of Diazepines Involving Copper-Catalyzed Rearrangement Cascade Allyl-Amination.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02710","","","0.71073","MoKα","","0.0664","0.0481","","","0.1135","0.1223","","","","","","1.048","","","","has coordinates","250459","2020-10-21","18:00:00",""
"4038203","9.7164","0.0018","10.1395","0.0015","13.851","0.003","71.337","0.005","88.764","0.006","77.117","0.01","1258.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","jh96f","","","- C22 H40 F3 N3 O2 S -","- C22 H40 F3 N3 O2 S -","- C44 H80 F6 N6 O4 S2 -","2","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0422","0.0346","","","0.0845","0.0903","","","","","","1.053","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038204","10.2414","0.0004","17.5228","0.0006","14.1388","0.0005","90","","107.322","0.0012","90","","2422.25","0.15","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","ta17","","","- C25 H22 F3 N2 O2 P S -","- C25 H22 F3 N2 O2 P S -","- C100 H88 F12 N8 O8 P4 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0487","0.0371","","","0.0905","0.0993","","","","","","1.048","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038205","9.8521","0.0003","10.4233","0.0004","13.8342","0.0005","72.0296","0.0013","88.1523","0.0012","75.7263","0.0012","1308.15","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","ta18","","","- C22 H40 F3 N2 O2 P S -","- C22 H40 F3 N2 O2 P S -","- C44 H80 F6 N4 O4 P2 S2 -","2","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0713","0.0473","","","0.1057","0.1164","","","","","","1.032","","","","has coordinates,has disorder","250460","2020-10-21","18:00:00",""
"4038206","9.6191","0.0004","24.8409","0.001","11.3597","0.0004","90","","97.164","0.001","90","","2693.18","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","CG38","","","- C31 H29 N2 O2 P S -","- C31 H29 N2 O2 P S -","- C124 H116 N8 O8 P4 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0449","0.0349","","","0.0811","0.0879","","","","","","1.048","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038207","13.744","0.0017","20.825","0.003","11.4009","0.0018","90","","109.349","0.004","90","","3078.8","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","401c","","","- C37 H33 N2 O2 P S -","- C37 H33 N2 O2 P S -","- C148 H132 N8 O8 P4 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0817","0.0628","","","0.1354","0.1453","","","","","","1.08","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038208","8.6461","0.0008","15.4957","0.0014","16.3096","0.0013","90","","102.024","0.003","90","","2137.2","0.3","112","2","112","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","494B","","","- C23 H26 N4 O2 S -","- C23 H26 N4 O2 S -","- C92 H104 N16 O8 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0471","0.0376","","","0.0918","0.0993","","","","","","1.034","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038209","9.8948","0.0003","11.5408","0.0003","26.9578","0.0007","90","","94.769","0.001","90","","3067.76","0.15","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","449b","","","- C36 H31 N2 O3 P S -","- C36 H31 N2 O3 P S -","- C144 H124 N8 O12 P4 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0653","0.0436","","","0.1044","0.1165","","","","","","1.03","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038210","11.9827","0.0009","9.639","0.0007","18.4664","0.0015","90","","90.582","0.003","90","","2132.8","0.3","107","2","107","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","458a","","","- C23 H26 N4 O3 S -","- C23 H26 N4 O3 S -","- C92 H104 N16 O12 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0522","0.0402","","","0.0973","0.105","","","","","","1.05","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038211","9.5001","0.0003","14.8911","0.0004","30.263","0.0009","90","","91.959","0.001","90","","4278.7","0.2","106","2","106","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","586a","","","- C23 H26 N4 O2 S -","- C23 H26 N4 O2 S -","- C184 H208 N32 O16 S8 -","8","2","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0519","0.0385","","","0.0883","0.0949","","","","","","1.062","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038212","9.3732","0.0007","7.5696","0.0005","12.4533","0.0008","90","","106.212","0.002","90","","848.44","0.1","105","2","105","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","353","","","- C6 H5 F3 N2 O2 S -","- C6 H5 F3 N2 O2 S -","- C24 H20 F12 N8 O8 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0391","0.0326","","","0.0841","0.0892","","","","","","1.07","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038213","13.7763","0.0006","7.4726","0.0003","12.2799","0.0006","90","","112.011","0.001","90","","1172.01","0.09","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tolH","","","- C12 H12 N2 O2 S -","- C12 H12 N2 O2 S -","- C48 H48 N8 O8 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0629","0.0455","","","0.1006","0.1168","","","","","","1.102","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038214","7.1584","0.0004","8.4697","0.0004","21.076","0.0011","90","","94.45","0.002","90","","1273.98","0.11","105","2","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ns04a","","","- C12 H14 N2 O4 S -","- C12 H14 N2 O4 S -","- C48 H56 N8 O16 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0455","0.0353","","","0.0888","0.0975","","","","","","1.052","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038215","10.0606","0.0004","17.2822","0.0005","28.0572","0.0012","97.836","0.003","99.154","0.004","94.177","0.003","4748.8","0.3","143","2","143","2","","","","","","","","5","P -1","-P 1","2","389b","","","- C33 H50 N2 O P2 -","- C33 H50 N2 O P2 -","- C198 H300 N12 O6 P12 -","6","3","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.1607","0.0733","","","0.1418","0.1907","","","","","","1.009","","","","has coordinates,has disorder","250460","2020-10-21","18:00:00",""
"4038216","26.0481","0.0008","6.0009","0.0002","20.9637","0.0007","90","","113.989","0.001","90","","2993.83","0.17","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","PPh2H","","","- C34 H32 N4 O3 P2 -","- C34 H32 N4 O3 P2 -","- C136 H128 N16 O12 P8 -","4","0.5","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0363","0.0321","","","0.0818","0.085","","","","","","1.057","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038217","22.0954","0.0014","8.0559","0.0006","16.8525","0.0011","90","","90.975","0.002","90","","2999.3","0.4","105","2","105","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","482saccH","","","- C14 H15 N3 O3 S2 -","- C14 H15 N3 O3 S2 -","- C112 H120 N24 O24 S16 -","8","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0319","0.029","","","0.0786","0.0812","","","","","","1.08","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038218","7.6885","0.0002","16.2545","0.0003","24.4389","0.0006","90","","96.585","0.001","90","","3034.05","0.12","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","500a","","","- C36 H28 N3 O2 P S -","- C36 H28 N3 O2 P S -","- C144 H112 N12 O8 P4 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0615","0.0451","","","0.1074","0.1156","","","","","","1.049","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038219","18.1807","0.0006","27.4981","0.0007","9.6395","0.0002","90","","102.021","0.001","90","","4713.4","0.2","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","ta02","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C192 H272 N16 O32 -","16","4","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0818","0.0572","","","0.1288","0.141","","","","","","1.019","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038220","10.7237","0.0004","14.8564","0.0005","14.6583","0.0005","90","","103.02","0.001","90","","2275.26","0.14","104","2","104","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","127brecryst","","","- C12 H12 N2 O2 S -","- C12 H12 N2 O2 S -","- C96 H96 N16 O16 S8 -","8","2","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0495","0.0361","","","0.0867","0.0967","","","","","","1.073","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038221","15.5395","0.0016","7.0403","0.0007","16.2326","0.0018","90","","112.518","0.013","90","","1640.5","0.3","298.15","","298.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N O4 -","- C20 H15 N O4 -","- C80 H60 N4 O16 -","4","1","","Liu, Renzhi; Yang, Min; Xie, Wenlin; Dong, Wenbi; Zhou, Hongwei; Yadav, Sarita; Potkin, Vladimir Ivanovich; Qiu, Guanyinsheng","Synthesis of 3-Hydroxyisoindolin-1-ones Through 1, 4-Dioxane-Mediated Hydroxylhydrative aza-Cyclization of 2-Alkynylbenzamide in Water.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03466","","x-ray","0.71073","MoKα","","0.0982","0.0507","","","0.1088","0.1323","","","","","","1.022","","","","has coordinates","250461","2020-10-21","18:00:00",""
"4038222","8.7983","0.0006","15.2437","0.0008","18.2257","0.0011","90","","101.332","0.007","90","","2396.8","0.3","298.15","","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C104 H104 N8 O32 -","8","2","","Liu, Renzhi; Yang, Min; Xie, Wenlin; Dong, Wenbi; Zhou, Hongwei; Yadav, Sarita; Potkin, Vladimir Ivanovich; Qiu, Guanyinsheng","Synthesis of 3-Hydroxyisoindolin-1-ones Through 1, 4-Dioxane-Mediated Hydroxylhydrative aza-Cyclization of 2-Alkynylbenzamide in Water.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03466","","x-ray","0.71073","MoKα","","0.1387","0.0731","","","0.166","0.2081","","","","","","0.992","","","","has coordinates","250461","2020-10-21","18:00:00",""
"4038223","6.6852","0.0007","15.879","0.0018","17.665","0.004","90","","90","","90","","1875.2","0.5","298.15","","298.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Br N O3 -","- C22 H16 Br N O3 -","- C88 H64 Br4 N4 O12 -","4","1","","Liu, Renzhi; Yang, Min; Xie, Wenlin; Dong, Wenbi; Zhou, Hongwei; Yadav, Sarita; Potkin, Vladimir Ivanovich; Qiu, Guanyinsheng","Synthesis of 3-Hydroxyisoindolin-1-ones Through 1, 4-Dioxane-Mediated Hydroxylhydrative aza-Cyclization of 2-Alkynylbenzamide in Water.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03466","","x-ray","0.71073","MoKα","","0.1651","0.0701","","","0.1417","0.1905","","","","","","1.016","","","","has coordinates","250461","2020-10-21","18:00:00",""
"4038224","12.5491","0.0015","8.3129","0.0009","26.875","0.004","90","","102.001","0.012","90","","2742.3","0.6","298.15","","298.15","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C12 H13 Br2 N O4 -","- C12 H13 Br2 N O4 -","- C96 H104 Br16 N8 O32 -","8","1","","Liu, Renzhi; Yang, Min; Xie, Wenlin; Dong, Wenbi; Zhou, Hongwei; Yadav, Sarita; Potkin, Vladimir Ivanovich; Qiu, Guanyinsheng","Synthesis of 3-Hydroxyisoindolin-1-ones Through 1, 4-Dioxane-Mediated Hydroxylhydrative aza-Cyclization of 2-Alkynylbenzamide in Water.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03466","","x-ray","0.71073","MoKα","","0.0842","0.0638","","","0.1576","0.1779","","","","","","1.034","","","","has coordinates","250461","2020-10-21","18:00:00",""
"4038225","14.974","0.003","6.769","0.0006","14.617","0.002","90","","117.79","0.02","90","","1310.7","0.4","298.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Br2 N O4 -","- C11 H11 Br2 N O4 -","- C44 H44 Br8 N4 O16 -","4","1","","Liu, Renzhi; Yang, Min; Xie, Wenlin; Dong, Wenbi; Zhou, Hongwei; Yadav, Sarita; Potkin, Vladimir Ivanovich; Qiu, Guanyinsheng","Synthesis of 3-Hydroxyisoindolin-1-ones Through 1, 4-Dioxane-Mediated Hydroxylhydrative aza-Cyclization of 2-Alkynylbenzamide in Water.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03466","","x-ray","0.71073","MoKα","","0.1513","0.0621","","","0.0885","0.114","","","","","","0.983","","","","has coordinates","250461","2020-10-21","18:00:00",""
"4038226","14.7062","0.0005","7.5665","0.0003","14.5836","0.0005","90","","113.948","0.001","90","","1483.08","0.09","173","2","172.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Br2 O3 -","- C14 H16 Br2 O3 -","- C56 H64 Br8 O12 -","4","1","","Liu, Renzhi; Yang, Min; Xie, Wenlin; Dong, Wenbi; Zhou, Hongwei; Yadav, Sarita; Potkin, Vladimir Ivanovich; Qiu, Guanyinsheng","Synthesis of 3-Hydroxyisoindolin-1-ones Through 1, 4-Dioxane-Mediated Hydroxylhydrative aza-Cyclization of 2-Alkynylbenzamide in Water.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03466","","","1.34138","GaKα","","0.0214","0.0212","","","0.0516","0.0518","","","","","","1.134","","","","has coordinates","250462","2020-10-21","18:00:00",""
"4038227","7.7122","0.0003","6.9375","0.0002","20.1264","0.0008","90","","94.982","0.003","90","","1072.76","0.07","190","4","190","4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N O3 S -","- C11 H10 N O3 S -","- C44 H40 N4 O12 S4 -","4","1","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","x-ray","1.3405","GaKα","","0.057","0.0479","","","0.1319","0.138","","","","","","1.062","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038228","8.7488","0.0003","16.633","0.0008","22.2697","0.001","90.008","0.004","89.96","0.004","90.013","0.003","3240.7","0.2","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O5 S2 -","- C16 H14 N2 O5 S2 -","- C128 H112 N16 O40 S16 -","8","4","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","0.71073","MoKα","","0.1869","0.1571","","","0.3869","0.3994","","","","","","1.065","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038229","7.0032","0.0002","10.8265","0.0002","11.8966","0.0002","101.805","0.002","104.363","0.002","100.367","0.002","829.63","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H21 N2 O2 S -","- C17 H21 N2 O2 S -","- C34 H42 N4 O4 S2 -","2","1","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","1.3405","GaKα","","0.0615","0.0556","","","0.1592","0.1654","","","","","","1.055","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038230","27.2818","0.0014","14.841","0.0008","6.2806","0.0003","90","","90","","90","","2542.9","0.2","293","2","293","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C26 H28 N4 O4 S2 -","- C26 H28 N4 O4 S2 -","- C104 H112 N16 O16 S8 -","4","0.5","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","1.3405","GaKα","","0.0495","0.0445","","","0.095","0.097","","","","","","1.008","","","","has coordinates,has disorder","251472","2020-10-21","18:00:00",""
"4038231","9.7299","0.0005","13.0223","0.0007","13.4524","0.0005","94.656","0.004","107.814","0.004","103.627","0.005","1555.31","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N4 O6 S2 -","- C32 H32 N4 O6 S2 -","- C64 H64 N8 O12 S4 -","2","1","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","0.71073","MoKα","","0.1449","0.0847","","","0.2986","0.3266","","","","","","1.193","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038232","8.0998","0.0005","11.0792","0.0006","30.7422","0.0009","95.055","0.004","95.992","0.004","100.265","0.005","2683.7","0.2","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N4 O4 S2 -","- C28 H32 N4 O4 S2 -","- C112 H128 N16 O16 S8 -","4","2","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","0.71073","MoKα","","0.1447","0.115","","","0.3299","0.3434","","","","","","1.1","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038233","8.4938","0.0003","8.723","0.0003","11.1325","0.0004","68.036","0.003","75.071","0.004","81.671","0.003","738.05","0.05","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 O4 S4 -","- C28 H28 N2 O4 S4 -","- C28 H28 N2 O4 S4 -","1","0.5","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","1.34139","GaKα","","0.1067","0.0851","","","0.2877","0.3348","","","","","","1.346","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038234","8.575","0.0005","8.8529","0.0004","10.6185","0.0008","72.078","0.006","67.668","0.006","75.284","0.004","700.79","0.08","295.8","0.2","295.8","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N2 O4 S4 -","- C28 H32 N2 O4 S4 -","- C28 H32 N2 O4 S4 -","1","0.5","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","x-ray","1.3405","MoKα","","0.1269","0.1131","","","0.404","0.4095","","","","","","1.103","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038235","22.7162","0.0006","14.2568","0.0004","30.6478","0.0009","90","","90","","90","","9925.6","0.5","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C400 H384 N32 O64 S64 -","- C400 H384 N32 O64 S64 -","- C400 H384 N32 O64 S64 -","1","0.125","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","1.34139","GaKα","","0.0685","0.0519","","","0.1309","0.1402","","","","","","1.032","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038236","16.76","0.005","25.156","0.011","6.3059","0.0013","90","","90","","90","","2658.7","1.5","301.45","0.1","301.45","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H28 N2 O4 S4 -","- C27 H28 N2 O4 S4 -","- C108 H112 N8 O16 S16 -","4","1","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","x-ray","1.3405","synchrotron","","0.1394","0.0788","","","0.2057","0.2595","","","","","","0.9728","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038237","11.2696","0.0002","11.1966","0.0002","16.4635","0.0003","90","","96.598","0.002","90","","2063.63","0.06","298.89","0.1","298.89","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O4 S4 -","- C19 H20 N2 O4 S4 -","- C76 H80 N8 O16 S16 -","4","1","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","x-ray","1.3405","GaKα","","0.0442","0.0379","","","0.103","0.1071","","","","","","1.099","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038238","9.2898","0.0008","11.6784","0.0009","12.1295","0.001","92.062","0.003","112.04","0.003","110.021","0.003","1125.43","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 N2 O5 -","- C25 H24 N2 O5 -","- C50 H48 N4 O10 -","2","1","","Pradhan, Sourav; Roy, Subhasish; Banerjee, Sonbidya; De, Pinaki Bhusan; Punniyamurthy, Tharmalingam","Oxidative C-H/N-H Annulation of Aromatic Amides with Dialkyl Malonates: Access to Isoindolinones and Dihydrobenzoindoles.","The Journal of organic chemistry","2020","85","8","5741","5749","10.1021/acs.joc.0c00466","","","0.71073","MoKα","","0.0805","0.052","","","0.1222","0.1443","","","","","","1.024","","","","has coordinates","251474","2020-10-21","18:00:00",""
"4038239","11.187","0.006","9.038","0.005","20.928","0.011","90","","97.133","0.017","90","","2100","2","210","","210","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 F2 N O4 S -","- C23 H19 F2 N O4 S -","- C92 H76 F8 N4 O16 S4 -","4","1","","Tan, Xing-Fa; Zhang, Fa-Guang; Ma, Jun-An","Asymmetric synthesis of CF<sub>2</sub>-functionalized aziridines by combined strong Brønsted acid catalysis.","Beilstein journal of organic chemistry","2020","16","","638","644","10.3762/bjoc.16.60","","","0.71073","MoKα","","0.0967","0.0525","","","0.1142","0.1388","","","","","","0.98","","","","has coordinates","251800","2020-10-21","18:00:00",""
"4038240","5.5826","0.0008","16.132","0.002","11.8958","0.0013","90","","90.12","0.05","90","","1071.3","0.2","170","","170","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H20 Cl F2 N O4 S -","- C23 H20 Cl F2 N O4 S -","- C46 H40 Cl2 F4 N2 O8 S2 -","2","1","","Tan, Xing-Fa; Zhang, Fa-Guang; Ma, Jun-An","Asymmetric synthesis of CF<sub>2</sub>-functionalized aziridines by combined strong Brønsted acid catalysis.","Beilstein journal of organic chemistry","2020","16","","638","644","10.3762/bjoc.16.60","","","0.71073","MoKα","","0.0685","0.0434","","","0.0836","0.0982","","","","","","1.035","","","","has coordinates","251800","2020-10-21","18:00:00",""
"4038241","13.7682","0.0002","8.6348","0.0001","22.2785","0.0003","90","","96.143","0.001","90","","2633.39","0.06","200","2","199.97","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H26 Cl N O3 -","- C33 H26 Cl N O3 -","- C132 H104 Cl4 N4 O12 -","4","2","","Tu, Man-Su; Liu, Si-Jia; Zhong, Chen; Zhang, Shu; Zhang, Huiwen; Zheng, Yuan-Lin; Shi, Feng","Diastereo- and Enantioselective Construction of Biologically Important Chiral 1,3-Dioxolochroman Frameworks via Catalytic Asymmetric [4+2] Cycloadditions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00119","","","1.34139","GaKα","","0.067","0.0591","","","0.1614","0.171","","","","","","1.023","","","","has coordinates","250512","2020-10-21","18:00:00",""
"4038242","7.7803","0.0005","10.9236","0.0008","18.3596","0.0014","90","","102.166","0.002","90","","1525.32","0.19","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 F2 N O S -","- C17 H15 F2 N O S -","- C68 H60 F8 N4 O4 S4 -","4","1","","Ye, Zhi-Peng; Xia, Peng-Ju; Liu, Fang; Hu, Yuan-Zhuo; Song, Dan; Xiao, Jun-An; Huang, Ping; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","Visible-Light-Induced, Catalyst-Free Radical Cross-Coupling Cyclization of <i>N</i>-Allylbromodifluoroacetamides with Disulfides or Diselenides.","The Journal of organic chemistry","2020","85","8","5670","5682","10.1021/acs.joc.9b03490","","","0.71073","MoKα","","0.1613","0.1262","","","0.4134","0.4429","","","","","","1.752","","","","has coordinates,has disorder","251471","2020-10-21","18:00:00",""
"4038243","7.2354","0.0019","10.971","0.003","15.02","0.005","90","","101.83","0.012","90","","1167","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C52 H44 N12 O12 -","4","1","","Ramu, Gopathi; Tangella, Yellaiah; Ambala, Srinivas; Nagendra Babu, Bathini","Regioselective ring expansion of 3-ylideneoxindoles with tosyldiazomethane (TsDAM) : A metal-free and greener approach for the synthesis of pyrazolo-[1,5-c]quinazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00078","","","0.71073","MoKα","","0.0623","0.0505","","","0.1671","0.1764","","","","","","1.39","","","","has coordinates","250574","2020-10-21","18:00:00",""
"4038244","23.768","0.001","7.7729","0.0003","12.6433","0.0006","90","","95.457","0.003","90","","2325.22","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 B N O6 S -","- C23 H30 B N O6 S -","- C92 H120 B4 N4 O24 S4 -","4","1","","Demchuk, Oleksandr P.; Hryshchuk, Oleksandr V.; Vashchenko, Bohdan V.; Kozytskiy, Andriy V.; Tymtsunik, Andriy V.; Komarov, Igor V.; Grygorenko, Oleksandr O.","Photochemical [2 + 2] Cycloaddition of Alkenyl Boronic Derivatives: An Entry into 3-Azabicyclo[3.2.0]heptane Scaffold.","The Journal of organic chemistry","2020","85","9","5927","5940","10.1021/acs.joc.0c00265","","","0.71073","MoKα","","0.1342","0.0754","","","0.1665","0.1995","","","","","","1.031","","","","has coordinates,has disorder","251477","2020-10-21","18:00:00",""
"4038245","9.2209","","6.6668","","9.3831","","90","","99.2121","","90","","569.376","","90","","90","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H15 Br N2 O2 -","- C12 H15 Br N2 O2 -","- C24 H30 Br2 N4 O4 -","2","0.5","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0178","","","","0.0465","","","","","","1.077","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038246","7.5174","0.0006","10.8721","0.0009","7.6231","0.0006","90","","92.3519","0.001","90","","622.51","0.09","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 Cl N2 O3 -","- C12 H13 Cl N2 O3 -","- C24 H26 Cl2 N4 O6 -","2","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0227","","","","0.0612","","","","","","1.055","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038247","12.5251","0.0019","7.7888","0.0012","16.98","0.003","90","","90","","90","","1656.5","0.5","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H40 Cl8 N16 O16 -","- C64 H40 Cl8 N16 O16 -","- C64 H40 Cl8 N16 O16 -","1","0.125","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0365","","","","0.0908","","","","","","1.012","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038248","6.849","0.006","6.272","0.005","7.042","0.006","90","","106.901","0.01","90","","289.4","0.4","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H3 Br N2 O3 -","- C3 H3 Br N2 O3 -","- C6 H6 Br2 N4 O6 -","2","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0255","","","","0.0673","","","","","","1.117","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038249","6.667","0.0013","6.7899","0.0014","11.05","0.002","81.39","0.03","86.15","0.03","75.78","0.03","479.18","0.18","90","2","90","2","","","","","","","","5","P -1","-P 1","2","furoxan","","","- C10 H5 Cl N2 O2 -","- C10 H5 Cl N2 O2 -","- C20 H10 Cl2 N4 O4 -","2","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71073","MoKα","","0.2031","0.1618","","","0.3953","0.4356","","","","","","1.55","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038250","6.5586","0.0013","7.4628","0.0014","8.5758","0.0017","90","","92.046","0.003","90","","419.48","0.14","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","furoxan","","","- C8 H5 Cl N2 O3 -","- C8 H5 Cl N2 O3 -","- C16 H10 Cl2 N4 O6 -","2","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71073","MoKα","","0.0345","0.0312","","","0.0734","0.076","","","","","","1.03","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038251","5.9208","0.001","7.7879","0.0013","12.68","0.002","90","","90","","90","","584.68","0.17","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C2 Br2 N2 O2 -","- C2 Br2 N2 O2 -","- C8 Br8 N8 O8 -","4","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0273","","","","0.0646","","","","","","0.477","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038252","5.36","0.007","9.166","0.014","18.17","0.03","94.47","0.03","94.802","0.014","101.15","0.016","869","2","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H11 Cl N2 O2 -","- C6 H9 Cl N2 O2 -","- C24 H36 Cl4 N8 O8 -","4","2","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.1346","","","","0.4165","","","","","","1.082","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038253","5.5643","0.0019","9.865","0.004","10.798","0.004","112.164","0.005","95.909","0.006","103.111","0.005","522.8","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Cl2 N2 O2 -","- C10 H6 Cl2 N2 O2 -","- C20 H12 Cl4 N4 O4 -","2","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0373","","","","0.0889","","","","","","1.042","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038254","8.652","0.0002","8.652","0.0002","19.0082","0.0006","90","","90","","120","","1232.27","0.06","149","2","149","2","","","","","","","","4","P 31","P 31","144","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C57 H57 N3 O12 -","3","1","","Maertens, Gaetan; Deruer, Elsa; Denis, Maxime; Canesi, Sylvain","Common Strategy for the Synthesis of Some Strychnos Indole Alkaloids.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00572","","","1.54178","CuKα","","0.0332","0.0319","","","0.0797","0.0807","","","","","","1.049","","","","has coordinates","250736","2020-10-21","18:00:00",""
"4038255","5.95332","0.00014","10.881","0.0002","13.1778","0.0003","113.8","0.002","90.4964","0.0019","98.6123","0.0018","769.98","0.03","125","","125","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H28 F2 -","- C17 H28 F2 -","- C34 H56 F4 -","2","1","","Fang, Zeguo; Al-Maharik, Nawaf; Kirsch, Peer; Bremer, Matthias; Slawin, Alexandra M. Z.; O'Hagan, David","Synthesis of organic liquid crystals containing selectively fluorinated cyclopropanes.","Beilstein journal of organic chemistry","2020","16","","674","680","10.3762/bjoc.16.65","","","1.54184","CuKα","","0.0522","0.0488","","","0.2293","0.242","","","","","","1.162","","","","has coordinates","251798","2020-10-21","18:00:00",""
"4038256","17.274","0.004","7.4408","0.0015","27.913","0.006","90","","100.62","0.03","90","","3526.3","1.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H14 O2 -","- C29 H14 O2 -","- C232 H112 O16 -","8","2","","Yakiyama, Yumi; Hishikawa, Shota; Sakurai, Hidehiro","Synthesis of C<sub>70</sub>-fragment buckybowls bearing alkoxy substituents.","Beilstein journal of organic chemistry","2020","16","","681","690","10.3762/bjoc.16.66","","","0.71073","MoKα","","0.3593","0.1217","","","0.1498","0.2096","","","","","","1","","","","has coordinates","251802","2020-10-21","18:00:00",""
"4038257","17.382","0.004","7.2895","0.0015","28.978","0.006","90","","90","","90","","3671.7","1.4","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H18 O2 -","- C30 H18 O2 -","- C240 H144 O16 -","8","1","","Yakiyama, Yumi; Hishikawa, Shota; Sakurai, Hidehiro","Synthesis of C<sub>70</sub>-fragment buckybowls bearing alkoxy substituents.","Beilstein journal of organic chemistry","2020","16","","681","690","10.3762/bjoc.16.66","","","0.71073","MoKα","","0.424","0.1319","","","0.2925","0.4008","","","","","","0.903","","","","has coordinates","251802","2020-10-21","18:00:00",""
"4038258","9.5224","0.0002","16.8906","0.0004","19.2805","0.0004","90","","97.05","0.002","90","","3077.61","0.12","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 P2 S2 -","- C36 H34 P2 S2 -","- C144 H136 P8 S8 -","4","1","","Kato, Yugo; Otomura, Nobutaka; Hirano, Koji; Miura, Masahiro","Synthesis of DPPP- and DPPPEN-Type Bidentate Ligands by Ring-Opening Diphosphination of Methylene- and Vinylcyclopropanes under Visible-Light-Promoted Photoredox Catalysis.","The Journal of organic chemistry","2020","85","9","5981","5994","10.1021/acs.joc.0c00417","","x-ray","0.71073","MoKα","","0.0471","0.0378","","","0.0957","0.1037","","","","","","1.106","","","","has coordinates","251479","2020-10-21","18:00:00",""
"4038259","27.7624","0.0004","9.77817","0.00018","10.50269","0.00019","90","","92.3518","0.0015","90","","2848.72","0.08","100","5","100","5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 F3 S -","- C16 H17 F3 S -","- C128 H136 F24 S8 -","8","1","","Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","Generation and NMR Study of Short-Lived and Reactive Trifluoroalkyl Carbocations of the α-Halogenothiophene Series in Brønsted Superacids: Reactions of the Cations with Arenes.","The Journal of organic chemistry","2020","85","9","5872","5883","10.1021/acs.joc.0c00170","","x-ray","1.54184","CuKα","","0.0424","0.039","","","0.1183","0.121","","","","","","1.086","","","","has coordinates","251480","2020-10-21","18:00:00",""
"4038260","7.8057","0.0001","9.6433","0.0002","26.0047","0.0005","90","","91.031","0.002","90","","1957.13","0.06","100","0.11","100","0.11","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C24 H18 N4 O4 -","- C24 H18 N4 O4 -","- C96 H72 N16 O16 -","4","0.5","","Galenko, Ekaterina E.; Kryukova, Mariya A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Synthesis of Bi-, Ter-, and Quaterpyridinecarboxylates via Propargylisoxazole-Pyridine Rearrangement.","The Journal of organic chemistry","2020","85","9","6109","6122","10.1021/acs.joc.0c00611","","x-ray","1.54184","CuKα","","0.0491","0.0481","","","0.131","0.1313","","","","","","1.127","","","","has coordinates","251481","2020-10-21","18:00:00",""
"4038261","8.8744","0.0001","11.6564","0.0001","11.8317","0.0001","107.65","0.001","107.159","0.001","93.599","0.001","1098.7","0.02","100.01","0.12","100.01","0.12","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 N3 O4 S -","- C27 H19 N3 O4 S -","- C54 H38 N6 O8 S2 -","2","1","","Galenko, Ekaterina E.; Kryukova, Mariya A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Synthesis of Bi-, Ter-, and Quaterpyridinecarboxylates via Propargylisoxazole-Pyridine Rearrangement.","The Journal of organic chemistry","2020","85","9","6109","6122","10.1021/acs.joc.0c00611","","x-ray","1.54184","CuKα","","0.0465","0.0436","","","0.0942","0.0959","","","","","","1.054","","","","has coordinates","251481","2020-10-21","18:00:00",""
"4038262","14.9657","0.0002","8.176","0.0001","18.5717","0.0003","90","","106.865","0.001","90","","2174.69","0.05","170","2","170.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O5 -","- C25 H27 N O5 -","- C100 H108 N4 O20 -","4","1","","Wu, Xiang; Zhu, Zheng-Hao; He, Hao; Ren, Lei; Zhu, Cheng-Feng; Li, You-Gui","Construction of 1,3-Oxazolidines through a Three-Component [3+2] Cycloaddition of Tetrahydroisoquinolines, Aldehydes, and Ethyl Ketomalonate.","The Journal of organic chemistry","2020","85","9","6216","6224","10.1021/acs.joc.0c00616","","","1.34139","GaKα","","0.041","0.0369","","","0.0911","0.0948","","","","","","1.033","","","","has coordinates","251482","2020-10-21","18:00:00",""
"4038263","16.7996","0.0005","11.7198","0.0002","19.3982","0.0007","90","","122.591","0.005","90","","3217.9","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H33 N2 O2 P -","- C39 H33 N2 O2 P -","- C156 H132 N8 O8 P4 -","4","1","","Pattarawarapan, Mookda; Wiriya, Nittaya; Yimklan, Saranphong; Wangngae, Sirilak; Phakhodee, Wong","Zwitterionic Ring-Opened Oxyphosphonium Species from the Ph<sub>3</sub>P-I<sub>2</sub> Mediated Reactions of Benzo[<i>d</i>]oxazol-2(3<i>H</i>)-ones with Secondary Amines.","The Journal of organic chemistry","2020","85","9","6151","6158","10.1021/acs.joc.0c00211","","x-ray","0.71073","MoKα","","0.0484","0.0425","","","0.1223","0.1291","","","","","","0.961","","","","has coordinates","251483","2020-10-21","18:00:00",""
"4038264","12.3314","0.0002","13.6344","0.0002","17.26","0.0002","86.933","0.001","83.316","0.001","88.246","0.001","2877.22","0.07","179.99","0.1","179.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C60 H34 Cl15 O -","- C60 H34 Cl15 O -","- C120 H68 Cl30 O2 -","2","1","","Yang, Xiao; Zhang, Di; Liao, Yinhui; Zhao, Dahui","Toward an Air-Stable Triradical with Strong Spin Coupling: Synthesis of Substituted Truxene-5,10,15-triyl.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03077","","x-ray","0.71073","MoKα","","0.0474","0.0383","","","0.1061","0.1111","","","","","","1.048","","","","has coordinates","250816","2020-10-21","18:00:00",""
"4038265","15.913","0.004","15.005","0.003","20.527","0.005","90","","111.906","0.003","90","","4547.4","1.8","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H35 Cl9 O3 -","- C52 H35 Cl9 O3 -","- C208 H140 Cl36 O12 -","4","1","","Yang, Xiao; Zhang, Di; Liao, Yinhui; Zhao, Dahui","Toward an Air-Stable Triradical with Strong Spin Coupling: Synthesis of Substituted Truxene-5,10,15-triyl.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03077","","","0.71073","MoKα","","0.1006","0.0855","","","0.1619","0.1697","","","","","","1.21","","","","has coordinates","250817","2020-10-21","18:00:00",""
"4038266","9.5119","0.0014","12.606","0.002","13.674","0.002","74.681","0.01","75.133","0.009","80.617","0.01","1520.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H80 Cl2 N8 O7 -","- C58 H80 Cl2 N8 O7 -","- C58 H80 Cl2 N8 O7 -","1","0.5","","Poronik, Yevgen M.; Ambicki, Filip; Tseng, Sheng-Ming; Chou, Pi-Tai; Deperasińska, Irena; Gryko, Daniel T.","How an Eight-Membered Ring Alters the Rhodamine Chromophore.","The Journal of organic chemistry","2020","85","9","5973","5980","10.1021/acs.joc.0c00414","","","1.54178","CuKα","","0.1809","0.1471","","","0.3731","0.4035","","","","","","1.516","","","","has coordinates","251486","2020-10-21","18:00:00",""
"4038267","9.325","0.0002","12.3792","0.0003","22.7224","0.0005","90","","92.177","0.001","90","","2621.09","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H64 Cl2 N8 O5 -","- C54 H64 Cl2 N8 O5 -","- C108 H128 Cl4 N16 O10 -","2","0.5","","Poronik, Yevgen M.; Ambicki, Filip; Tseng, Sheng-Ming; Chou, Pi-Tai; Deperasińska, Irena; Gryko, Daniel T.","How an Eight-Membered Ring Alters the Rhodamine Chromophore.","The Journal of organic chemistry","2020","85","9","5973","5980","10.1021/acs.joc.0c00414","","","1.54178","CuKα","","0.0588","0.0511","","","0.131","0.1361","","","","","","1.046","","","","has coordinates","251486","2020-10-21","18:00:00",""
"4038268","9.5008","0.0003","19.9938","0.0007","10.2841","0.0004","90","","90.605","0.002","90","","1953.43","0.12","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H51 Cl3 N8 O7 -","- C33 H51 Cl3 N8 O7 -","- C66 H102 Cl6 N16 O14 -","2","1","","Imani, Zeynab; Guillot, Régis; Declerck, Valérie; Aitken, David J.","Local versus Global Control of Helical Folding in β-Peptide Segments Using Hydrazino Turns.","The Journal of organic chemistry","2020","85","9","6165","6171","10.1021/acs.joc.0c00305","","x-ray","1.54178","CuKα","","0.0453","0.0437","","","0.118","0.1195","","","","","","1.036","","","","has coordinates","251487","2020-10-21","18:00:00",""
"4038269","8.6708","0.0015","11.5329","0.0018","17.874","0.003","90","","90","","90","","1787.4","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","tert-butyl (3S,3aS,6R,6aR)-3-(benzyloxy)-6-hydroxyhexahydro-4H-furo[3,2-b]pyrrole-4-carboxylate","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C72 H100 N4 O20 -","4","1","","Castán, Alejandro; Badorrey, Ramón; Díez, José A; Christoffersen, Claus T.; Rasmussen, Lars K.; Kehler, Jan; Köhler, Ralf; Gálvez, José A; Díaz-de-Villegas, María D","Debenzylative Cycloetherification as a Synthetic Tool in the Diastereoselective Synthesis of 3,6-Disubstituted Hexahydro-2<i>H</i>-furo[3,2-<i>b</i>]pyrroles, PDE1 Enzyme Inhibitors with an Antiproliferative Effect on Melanoma Cells.","The Journal of organic chemistry","2020","85","9","5941","5951","10.1021/acs.joc.0c00276","","","0.71073","MoKα","","0.072","0.0508","","","0.116","0.1266","","","","","","1.152","","","","has coordinates","251476","2020-10-21","18:00:00",""
"4038270","6.3466","0.00018","12.0072","0.0003","24.5409","0.0007","90","","90","","90","","1870.14","0.09","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H25 D2 F N O8 P -","- C12 H25 D2 F N O8 P -","- C48 H100 D8 F4 N4 O32 P4 -","4","1","","Kaźmierczak, Marcin; Koroniak, Henryk","Efficient synthesis of dipeptide analogues of α-fluorinated β-aminophosphonates.","Beilstein journal of organic chemistry","2020","16","","756","762","10.3762/bjoc.16.69","","x-ray","0.71073","MoKα","","0.0484","0.0406","","","0.0727","0.0753","","","","","","1.056","","","","has coordinates","251801","2020-10-21","18:00:00",""
"4038271","8.3224","0.0008","20.45","0.002","11.4338","0.0011","90","","98.814","0.004","90","","1923","0.3","283","","283.19","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C96 H76 N4 O12 -","4","1","","Cheng, Haiyang; Yao, Xinbo; Yin, Shiwei; Wang, Tao; Zhang, Zunting","Stereoselective Synthesis of (E)-3-alkylideneoxindoles via Gold(I)-Catalyzed Cross-Coupling of 3-Diazooxindoles with Diazoesters.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00156","","","1.54178","CuKα","","0.0418","0.0389","","","0.1066","0.1096","","","","","","1.015","","","","has coordinates","250896","2020-10-21","18:00:00",""
"4038272","10.7031","0.0014","10.096","0.0013","19.634","0.003","90","","101.314","0.003","90","","2080.4","0.5","153","","152.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 I N O5 -","- C22 H20 I N O5 -","- C88 H80 I4 N4 O20 -","4","1","","Cheng, Haiyang; Yao, Xinbo; Yin, Shiwei; Wang, Tao; Zhang, Zunting","Stereoselective Synthesis of (E)-3-alkylideneoxindoles via Gold(I)-Catalyzed Cross-Coupling of 3-Diazooxindoles with Diazoesters.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00156","","","1.54178","CuKα","","0.0366","0.0366","","","0.0952","0.0952","","","","","","1.105","","","","has coordinates","250897","2020-10-21","18:00:00",""
"4038273","10.5794","0.0009","12.0811","0.001","31.213","0.003","90.007","0.002","94.017","0.002","90.367","0.002","3979.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","9-((10,20-dihexyl-15-phenylporphyrinato-5-yl)ethynyl)zinc(II)-10-((10,20-dihexyl-15-phenylporphyrinato-5-yl)ethynyl) nickel(II) triptycene","","- C100 H90 N8 Ni Zn -","- C100 H90 N8 Ni Zn -","- C200 H180 N16 Ni2 Zn2 -","2","1","","Locke, Gemma M.; Flanagan, Keith J.; Senge, Mathias O.","Towards triptycene functionalization and triptycene-linked porphyrin arrays.","Beilstein journal of organic chemistry","2020","16","","763","777","10.3762/bjoc.16.70","","x-ray","0.71073","MoKα","","0.092","0.0695","","","0.1631","0.1797","","","","","","1.053","","","","has coordinates,has disorder","251797","2020-10-21","18:00:00",""
"4038274","10.9626","0.0004","11.864","0.0004","12.8821","0.0005","90.244","0.002","93.352","0.002","98.157","0.002","1655.53","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","9-[(Triisopropylsilyl)ethynyl]-10-[(trimethylsilyl)ethynyl]-triptycene","","- C18 H21 Si -","- C18 H21 Si -","- C72 H84 Si4 -","4","2","","Locke, Gemma M.; Flanagan, Keith J.; Senge, Mathias O.","Towards triptycene functionalization and triptycene-linked porphyrin arrays.","Beilstein journal of organic chemistry","2020","16","","763","777","10.3762/bjoc.16.70","","x-ray","1.54178","CuKα","","0.0972","0.0808","","","0.236","0.2531","","","","","","1.058","","","","has coordinates,has disorder","251797","2020-10-21","18:00:00",""
"4038275","12.8867","0.0005","4.97269","0.00015","21.7966","0.0008","90","","106.662","0.004","90","","1338.11","0.09","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 F N2 O3 -","- C17 H11 F N2 O3 -","- C68 H44 F4 N8 O12 -","4","1","","Kazim, Muhammad; Siegler, Maxime A.; Lectka, Thomas","Close Amide NH···F Hydrogen Bonding Interactions in 1,8-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00553","","","0.71073","MoKα","","0.0398","0.0361","","","0.0988","0.1022","","","","","","1.072","","","","has coordinates","250948","2020-10-21","18:00:00",""
"4038276","4.8492","0.0002","12.3436","0.0005","17.6866","0.0008","90","","92.08","0.004","90","","1057.96","0.08","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 F4 N O -","- C12 H7 F4 N O -","- C48 H28 F16 N4 O4 -","4","1","","Kazim, Muhammad; Siegler, Maxime A.; Lectka, Thomas","Close Amide NH···F Hydrogen Bonding Interactions in 1,8-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00553","","","0.71073","MoKα","","0.0516","0.0388","","","0.0894","0.0973","","","","","","1.099","","","","has coordinates,has disorder","250949","2020-10-21","18:00:00",""
"4038277","10.8642","0.0004","18.7374","0.0009","11.2628","0.0005","90","","117.454","0.002","90","","2034.53","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 O S2 -","- C23 H20 O S2 -","- C92 H80 O4 S8 -","4","1","","Sundaravelu, Nallappan; Guha, Somraj; Sekar, Govindasamy","Iodonium Ion-Catalyzed Domino Synthesis of <i>Z</i>-Selective α,β-Diphenylthio Enones from Easily Accessible Secondary Alcohols.","The Journal of organic chemistry","2020","85","9","5895","5906","10.1021/acs.joc.0c00183","","","0.71073","MoKα","","0.0876","0.0437","","","0.0914","0.1138","","","","","","1.008","","","","has coordinates","251484","2020-10-21","18:00:00",""
"4038278","8.2801","0.0003","10.9055","0.0004","11.3166","0.0003","72.0273","0.0013","79.5744","0.0013","77.9792","0.0013","943.19","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H12 Cl2 O S2 -","- C21 H12 Cl2 O S2 -","- C42 H24 Cl4 O2 S4 -","2","1","","Sundaravelu, Nallappan; Guha, Somraj; Sekar, Govindasamy","Iodonium Ion-Catalyzed Domino Synthesis of <i>Z</i>-Selective α,β-Diphenylthio Enones from Easily Accessible Secondary Alcohols.","The Journal of organic chemistry","2020","85","9","5895","5906","10.1021/acs.joc.0c00183","","","0.71073","MoKα","","0.0446","0.0369","","","0.0884","0.0952","","","","","","1.035","","","","has coordinates","251484","2020-10-21","18:00:00",""
"4038279","7.108","0.0004","10.7667","0.0006","18.9286","0.0009","90","","91.471","0.002","90","","1448.12","0.13","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","AC5124","","","- C14 H16 N4 O4 -","- C14 H16 N4 O4 -","- C56 H64 N16 O16 -","4","1","","Carlson, Angela S.; Liu, En-Chih; Topczewski, Joseph J.","A Cascade Reaction of Cinnamyl Azides with Acrylates Directly Generates Tetrahydro-Pyrrolo-Pyrazole Heterocycles.","The Journal of organic chemistry","2020","85","9","6044","6059","10.1021/acs.joc.0c00535","","","0.71073","MoKα","","0.0542","0.0395","","","0.1311","0.1503","","","","","","1.113","","","","has coordinates","251485","2020-10-21","18:00:00",""
"4038280","14.0598","0.0019","15.723","0.002","32.139","0.004","90","","91.764","0.005","90","","7101.4","1.6","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H90 Cl6 N12 O8 -","- C68 H90 Cl6 N12 O8 -","- C272 H360 Cl24 N48 O32 -","4","1","","Carlson, Angela S.; Liu, En-Chih; Topczewski, Joseph J.","A Cascade Reaction of Cinnamyl Azides with Acrylates Directly Generates Tetrahydro-Pyrrolo-Pyrazole Heterocycles.","The Journal of organic chemistry","2020","85","9","6044","6059","10.1021/acs.joc.0c00535","","","0.71073","MoKα","","0.0647","0.0403","","","0.0984","0.1145","","","","","","1.026","","","","has coordinates","251485","2020-10-21","18:00:00",""
"4038281","29.875","0.01","5.607","0.002","12.349","0.004","90","","101.081","0.013","90","","2030","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N4 O3 -","- C24 H20 N4 O3 -","- C96 H80 N16 O12 -","4","1","","Carlson, Angela S.; Liu, En-Chih; Topczewski, Joseph J.","A Cascade Reaction of Cinnamyl Azides with Acrylates Directly Generates Tetrahydro-Pyrrolo-Pyrazole Heterocycles.","The Journal of organic chemistry","2020","85","9","6044","6059","10.1021/acs.joc.0c00535","","","0.71073","MoKα","","0.0982","0.0573","","","0.1278","0.1475","","","","","","1.038","","","","has coordinates","251485","2020-10-21","18:00:00",""
"4038282","6.0964","0.0002","10.1676","0.0003","19.2632","0.0007","90","","90","","90","","1194.04","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","","Carlson, Angela S.; Liu, En-Chih; Topczewski, Joseph J.","A Cascade Reaction of Cinnamyl Azides with Acrylates Directly Generates Tetrahydro-Pyrrolo-Pyrazole Heterocycles.","The Journal of organic chemistry","2020","85","9","6044","6059","10.1021/acs.joc.0c00535","","","0.71073","MoKα","","0.0448","0.0384","","","0.1016","0.1073","","","","","","0.947","","","","has coordinates","251485","2020-10-21","18:00:00",""
"4038283","18.9012","0.0013","5.7981","0.0003","26.3242","0.0016","90","","108.07","0.005","90","","2742.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H8 Br F3 O -","- C15 H8 Br F3 O -","- C120 H64 Br8 F24 O8 -","8","1","","Chen, Guo-Shu; Yan, Xiaoxue; Chen, Shujie; Mao, Xiang-Yu; Li, Zhao-Dong; Liu, Yunlin","Diastereoselective Synthesis of 1,3-Diyne-Tethered Trifluoromethyl-Cyclopropanes through Sulfur Ylides-Mediated Cyclopropanation/ DBU-Mediated Epimerization Sequence.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00162","","","0.71073","MoKα","","0.053","0.0367","","","0.0658","0.0722","","","","","","1.06","","","","has coordinates","250988","2020-10-21","18:00:00",""
"4038284","7.3293","0.0013","14.6561","0.0014","18.0368","0.0011","89.593","0.007","79.654","0.013","86.612","0.012","1902.6","0.4","99.98","0.11","99.98","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C22 H13 Br F3 N O2 -","- C22 H13 Br F3 N O2 -","- C88 H52 Br4 F12 N4 O8 -","4","2","","Chen, Guo-Shu; Yan, Xiaoxue; Chen, Shujie; Mao, Xiang-Yu; Li, Zhao-Dong; Liu, Yunlin","Diastereoselective Synthesis of 1,3-Diyne-Tethered Trifluoromethyl-Cyclopropanes through Sulfur Ylides-Mediated Cyclopropanation/ DBU-Mediated Epimerization Sequence.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00162","","x-ray","0.71073","MoKα","","0.2049","0.1485","","","0.392","0.4268","","","","","","1.338","","","","has coordinates","250989","2020-10-21","18:00:00",""
"4038285","15.7049","0.0005","12.0661","0.0005","7.702","0.0003","90","","94.888","0.003","90","","1454.2","0.1","100","0.1","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 B F2 I N3 O S -","- C12 H11 B F2 I N3 O S -","- C48 H44 B4 F8 I4 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Grazulevicius, Juozas V.","Organolithium-Mediated Postfunctionalization of Thiazolo[3,2-<i>c</i>][1,3,5,2]oxadiazaborinine Fluorescent Dyes.","The Journal of organic chemistry","2020","85","9","6060","6072","10.1021/acs.joc.0c00552","","","0.71073","MoKα","","0.0565","0.0473","","","0.1179","0.1286","","","","","","1.068","","","","has coordinates","251475","2020-10-21","18:00:00",""
"4038286","15.5882","0.0002","11.6785","0.0002","7.5331","0.0001","90","","94.724","0.001","90","","1366.72","0.03","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 B F2 N3 O S -","- C13 H14 B F2 N3 O S -","- C52 H56 B4 F8 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Grazulevicius, Juozas V.","Organolithium-Mediated Postfunctionalization of Thiazolo[3,2-<i>c</i>][1,3,5,2]oxadiazaborinine Fluorescent Dyes.","The Journal of organic chemistry","2020","85","9","6060","6072","10.1021/acs.joc.0c00552","","","1.54184","CuKα","","0.031","0.0302","","","0.0847","0.0855","","","","","","1.063","","","","has coordinates","251475","2020-10-21","18:00:00",""
"4038287","18.8716","0.0001","12.5058","0.0001","17.1769","0.0001","90","","110.067","0.001","90","","3807.73","0.05","100.01","0.1","100.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 B F2 N3 O3 S2 -","- C18 H16 B F2 N3 O3 S2 -","- C144 H128 B8 F16 N24 O24 S16 -","8","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Grazulevicius, Juozas V.","Organolithium-Mediated Postfunctionalization of Thiazolo[3,2-<i>c</i>][1,3,5,2]oxadiazaborinine Fluorescent Dyes.","The Journal of organic chemistry","2020","85","9","6060","6072","10.1021/acs.joc.0c00552","","","1.54184","CuKα","","0.0314","0.0309","","","0.0805","0.081","","","","","","1.06","","","","has coordinates","251475","2020-10-21","18:00:00",""
"4038288","12.6493","0.0002","6.2227","0.0001","19.5519","0.0003","90","","107.296","0.002","90","","1469.39","0.04","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 B F2 N3 O S -","- C14 H16 B F2 N3 O S -","- C56 H64 B4 F8 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Grazulevicius, Juozas V.","Organolithium-Mediated Postfunctionalization of Thiazolo[3,2-<i>c</i>][1,3,5,2]oxadiazaborinine Fluorescent Dyes.","The Journal of organic chemistry","2020","85","9","6060","6072","10.1021/acs.joc.0c00552","","","1.54184","CuKα","","0.0323","0.0314","","","0.0844","0.0852","","","","","","1.053","","","","has coordinates","251475","2020-10-21","18:00:00",""
"4038289","14.262","0.0005","8.0464","0.0002","14.6468","0.0005","90","","96.67","0.003","90","","1669.46","0.09","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 B F2 N3 O3 S -","- C16 H18 B F2 N3 O3 S -","- C64 H72 B4 F8 N12 O12 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Grazulevicius, Juozas V.","Organolithium-Mediated Postfunctionalization of Thiazolo[3,2-<i>c</i>][1,3,5,2]oxadiazaborinine Fluorescent Dyes.","The Journal of organic chemistry","2020","85","9","6060","6072","10.1021/acs.joc.0c00552","","","0.71073","MoKα","","0.0439","0.0352","","","0.0868","0.0932","","","","","","1.036","","","","has coordinates","251475","2020-10-21","18:00:00",""
"4038290","5.68389","0.00006","12.24377","0.00014","33.9789","0.0003","90","","90","","90","","2364.67","0.04","120","1","120","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 N2 O3 -","- C30 H26 N2 O3 -","- C120 H104 N8 O12 -","4","1","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","1.54184","CuKα","K-L~2,3~","0.0377","0.0333","","","0.0772","0.0801","","","","","","1.064","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038291","5.52511","0.00016","16.3905","0.0005","11.8602","0.0003","90","","100.461","0.002","90","","1056.2","0.05","120","1","120","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O3 -","- C24 H30 N2 O3 -","- C48 H60 N4 O6 -","2","1","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","1.54184","CuKα","K-L~2,3~","0.0331","0.0295","","","0.0657","0.0672","","","","","","1.04","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038292","5.68294","0.00015","34.9964","0.0006","11.1399","0.0003","90","","100.951","0.002","90","","2175.19","0.09","120","1","120","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H22 N2 O2 S -","- C28 H22 N2 O2 S -","- C112 H88 N8 O8 S4 -","4","2","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","0.71073","MoKα","K-L~2,3~","0.1154","0.0625","","","0.1013","0.1194","","","","","","1.018","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038293","7.636","0.003","13.042","0.005","14.698","0.005","90","","90.76","0.007","90","","1463.6","0.9","100","2","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O4 S -","- C16 H16 O4 S -","- C64 H64 O16 S4 -","4","1","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","0.71073","MoKα","K-L~2,3~","0.0408","0.0335","","","0.0881","0.0931","","","","","","1.066","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038294","7.5111","0.0001","10.0145","0.0001","34.4974","0.0005","90","","90","","90","","2594.89","0.06","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 Cl2 Fe N2 O3 -","- C30 H26 Cl2 Fe N2 O3 -","- C120 H104 Cl8 Fe4 N8 O12 -","4","1","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","0.71073","MoKα","K-L~2,3~","0.054","0.0423","","","0.08","0.0837","","","","","","1.07","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038295","13.2186","0.0002","13.2909","0.0002","14.0998","0.0003","90","","96.7465","0.0015","90","","2460","0.07","120","1","120","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H30 Cl2 Fe N2 O3 -","- C24 H30 Cl2 Fe N2 O3 -","- C96 H120 Cl8 Fe4 N8 O12 -","4","1","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","0.71073","MoKα","K-L~2,3~","0.0442","0.0348","","","0.0629","0.0664","","","","","","1.036","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038296","7.5248","0.0002","9.9876","0.0003","34.3832","0.0008","90","","90","","90","","2584.06","0.12","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 Cl2 Co N2 O3 -","- C30 H26 Cl2 Co N2 O3 -","- C120 H104 Cl8 Co4 N8 O12 -","4","1","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","0.71073","MoKα","K-L~2,3~","0.0831","0.046","","","0.0692","0.0743","","","","","","0.841","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038297","13.5371","0.0002","14.1319","0.0002","28.1192","0.0005","90","","90","","90","","5379.34","0.15","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27.5 H34 Cl2 Co N2 O3 -","- C27.5 H34 Cl2 Co N2 O3 -","- C220 H272 Cl16 Co8 N16 O24 -","8","2","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","1.54184","CuKα","K-L~2,3~","0.0494","0.0379","","","0.0851","0.0913","","","","","","1.049","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038298","10.9879","0.0003","56.587","0.0016","21.0107","0.0005","90","","90.025","0.003","90","","13063.9","0.6","120","1","120","1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C26.25 H30.5 Cl0.5 Co F6 N2 O9 S2 -","- C26.25 H30.5 Cl0.5 Co F6 N2 O9 S2 -","- C420 H488 Cl8 Co16 F96 N32 O144 S32 -","16","8","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","1.54184","CuKα","K-L~2,3~","0.0911","0.0663","","","0.1515","0.1747","","","","","","1.025","","","","has coordinates,has disorder","251111","2020-10-21","18:00:00",""
"4038299","12.9643","0.0011","15.9039","0.0011","11.6777","0.001","90","","110.485","0.01","90","","2255.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O6 -","- C25 H25 N O6 -","- C100 H100 N4 O24 -","4","1","","Zhang, Yuan; Li, Shilin; Zhu, Yin; Yang, Xiaorong; Zhou, Huang; Li, Ying","Visible Light-Induced Oxidative Cross Dehydrogenative Coupling of Glycine Esters with β-Naphthols: Access to 1,3-Benzoxazines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b01440","","","0.71073","MoKα","","0.1281","0.0707","","","0.1701","0.2189","","","","","","1.033","","","","has coordinates","251153","2020-10-21","18:00:00",""
"4038300","9.5029","0.0004","10.3608","0.0005","11.0975","0.0004","99.412","0.004","113.277","0.004","107.356","0.004","907.31","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","2-(1-hydroxyethyl)-1,3-diphenylphosphindole 1-oxide","","- C22 H19 O2 P -","- C22 H19 O2 P -","- C44 H38 O4 P2 -","2","1","","Guo, Jiami; Mao, Chenlu; Deng, Bin; Ye, Liyi; Yin, Yingwu; Gao, Yuxing; Tu, Song","Azobisisobutyronitrile-Initiated Oxidative C-H Functionalization of Simple Alcohols with Diaryl(arylethynyl)phosphine Oxides: A Metal-Free Approach toward Hydroxymethyl Benzo[<i>b</i>]phosphole Oxides and 6<i>H</i>-Indeno[2,1-<i>b</i>]phosphindole 5-Oxide Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00118","","","1.54184","CuKα","","0.0565","0.0491","","","0.1305","0.1509","","","","","","1.087","","","","has coordinates","251155","2020-10-21","18:00:00",""
"4038301","7.6089","0.0002","14.041","0.0003","17.1323","0.0004","90","","93.246","0.002","90","","1827.42","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8-chloro-6,6-dimethyl-5-phenyl-6H-indeno[2,1-b]phosphindole 5-oxide","","- C23 H18 Cl O P -","- C23 H18 Cl O P -","- C92 H72 Cl4 O4 P4 -","4","1","","Guo, Jiami; Mao, Chenlu; Deng, Bin; Ye, Liyi; Yin, Yingwu; Gao, Yuxing; Tu, Song","Azobisisobutyronitrile-Initiated Oxidative C-H Functionalization of Simple Alcohols with Diaryl(arylethynyl)phosphine Oxides: A Metal-Free Approach toward Hydroxymethyl Benzo[<i>b</i>]phosphole Oxides and 6<i>H</i>-Indeno[2,1-<i>b</i>]phosphindole 5-Oxide Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00118","","","1.54184","CuKα","","0.0478","0.0408","","","0.1077","0.1158","","","","","","1.055","","","","has coordinates","251156","2020-10-21","18:00:00",""
"4038302","6.3532","0.0008","11.1522","0.0014","11.6114","0.0015","71.654","0.004","88.192","0.004","88.92","0.004","780.45","0.17","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H39.35 N O5 S -","- C34 H39.35 N O5 S -","- C34 H39.35 N O5 S -","1","1","","Li, Zhi-Min; Tan, Yingfei; Ma, You-Ping; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Chiral Derivatives of 2-Aminotribenzotriquinacene: Synthesis and Optical Resolution.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00396","","","1.54184","CuKα","","0.0788","0.0435","","","0.1074","0.1162","","","","","","1.051","","","","has coordinates,has disorder","251182","2020-10-21","18:00:00",""
"4038303","12.581","0.0005","8.4554","0.0004","25.9438","0.0011","90","","99.729","0.005","90","","2720.1","0.2","293.7","0.3","293.7","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Br Cl3 N O -","- C29 H27 Br Cl3 N O -","- C116 H108 Br4 Cl12 N4 O4 -","4","1","","Li, Zhi-Min; Tan, Yingfei; Ma, You-Ping; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Chiral Derivatives of 2-Aminotribenzotriquinacene: Synthesis and Optical Resolution.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00396","","","0.71073","MoKα","","0.0964","0.0605","","","0.1444","0.1681","","","","","","1.03","","","","has coordinates","251183","2020-10-21","18:00:00",""
"4038304","11.5648","0.0005","12.906","0.0005","17.0405","0.0005","71.639","0.003","88.416","0.003","72.869","0.003","2300.85","0.16","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 F N O5 P -","- C23 H27 F N O5 P -","- C92 H108 F4 N4 O20 P4 -","4","2","","Del Corte, Xabier; López-Francés, Adrián; Maestro, Aitor; Martinez de Marigorta, Edorta; Palacios, Francisco; Vicario, Javier","Brönsted Acid Catalyzed Multicomponent Synthesis of Phosphorus and Fluorine-Derived γ-Lactam Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00280","","x-ray","1.54184","CuKα","","0.055","0.0389","","","0.0923","0.0988","","","","","","1.028","","","","has coordinates,has disorder","251240","2020-10-21","18:00:00",""
"4038305","12.2516","0.0013","7.1055","0.0005","13.0019","0.0012","90","","115.11","0.012","90","","1024.9","0.19","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O -","- C26 H24 N2 O -","- C52 H48 N4 O2 -","2","1","","Del Corte, Xabier; López-Francés, Adrián; Maestro, Aitor; Martinez de Marigorta, Edorta; Palacios, Francisco; Vicario, Javier","Brönsted Acid Catalyzed Multicomponent Synthesis of Phosphorus and Fluorine-Derived γ-Lactam Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00280","","x-ray","1.54184","CuKα","","0.0793","0.0537","","","0.1165","0.1279","","","","","","1.032","","","","has coordinates","251241","2020-10-21","18:00:00",""
"4038306","7.7968","0.0004","20.6201","0.0013","15.4863","0.0007","90","","103.667","0.005","90","","2419.2","0.2","150.6","0.9","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H33 N2 O4 P -","- C25 H33 N2 O4 P -","- C100 H132 N8 O16 P4 -","4","1","","Del Corte, Xabier; López-Francés, Adrián; Maestro, Aitor; Martinez de Marigorta, Edorta; Palacios, Francisco; Vicario, Javier","Brönsted Acid Catalyzed Multicomponent Synthesis of Phosphorus and Fluorine-Derived γ-Lactam Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00280","","x-ray","1.54184","CuKα","","0.1292","0.065","","","0.1355","0.1665","","","","","","1.002","","","","has coordinates","251242","2020-10-21","18:00:00",""
"4038307","9.7426","0.0009","6.4084","0.0005","18.2313","0.0014","90","","99.544","0.008","90","","1122.51","0.16","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H29 N2 O4 P -","- C23 H29 N2 O4 P -","- C46 H58 N4 O8 P2 -","2","1","","Del Corte, Xabier; López-Francés, Adrián; Maestro, Aitor; Martinez de Marigorta, Edorta; Palacios, Francisco; Vicario, Javier","Brönsted Acid Catalyzed Multicomponent Synthesis of Phosphorus and Fluorine-Derived γ-Lactam Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00280","","x-ray","1.54184","CuKα","","0.0942","0.066","","","0.1336","0.1512","","","","","","1.006","","","","has coordinates,has disorder","251243","2020-10-21","18:00:00",""
"4038308","10.4076","0.0003","6.5798","0.0002","12.4643","0.0004","90","","100.854","0.001","90","","838.28","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H28 N2 O3 -","- C17 H28 N2 O3 -","- C34 H56 N4 O6 -","2","1","","Wu, Xing-De; Li, Xiao-Nian; Peng, Li-Yan; Zhao, Qin-Shi","Huperserratines A and B, Two Macrocyclic <i>Lycopodium</i> Alkaloids with an Unusual Skeleton from <i>Huperzia serrata</i>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00623","","","1.54178","CuKα","","0.0336","0.0336","","","0.0848","0.0848","","","","","","1.143","","","","has coordinates","251289","2020-10-21","18:00:00",""
"4038309","24.2918","0.0006","8.047","0.0002","17.8937","0.0005","90","","91.261","0.001","90","","3496.94","0.16","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H28 N2 O3 -","- C17 H28 N2 O3 -","- C136 H224 N16 O24 -","8","2","","Wu, Xing-De; Li, Xiao-Nian; Peng, Li-Yan; Zhao, Qin-Shi","Huperserratines A and B, Two Macrocyclic <i>Lycopodium</i> Alkaloids with an Unusual Skeleton from <i>Huperzia serrata</i>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00623","","","1.54178","CuKα","","0.0374","0.0366","","","0.0966","0.0976","","","","","","1.071","","","","has coordinates","251290","2020-10-21","18:00:00",""
"4038310","10.3827","0.0002","20.2897","0.0004","20.0193","0.0004","90","","103.111","0.002","90","","4107.37","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H53 Fe N4 O4 P -","- C45 H53 Fe N4 O4 P -","- C180 H212 Fe4 N16 O16 P4 -","4","1","","Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego Marcelo; Ghadwal, Rajendra S.","Isolation of Elusive Electrophilic Phosphinidene Complexes with π-Donor N-Heterocyclic Vinyl Substituents.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00176","","x-ray","0.71073","MoKα","","0.0535","0.0411","","","0.1048","0.112","","","","","","1.045","","","","has coordinates","251321","2020-10-21","18:00:00",""
"4038311","10.7593","0.0001","19.627","0.0003","18.6896","0.0002","90","","92.421","0.001","90","","3943.21","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H47 Fe N2 O4 P -","- C44 H47 Fe N2 O4 P -","- C176 H188 Fe4 N8 O16 P4 -","4","1","","Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego Marcelo; Ghadwal, Rajendra S.","Isolation of Elusive Electrophilic Phosphinidene Complexes with π-Donor N-Heterocyclic Vinyl Substituents.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00176","","x-ray","0.71073","MoKα","","0.0381","0.0327","","","0.0834","0.0864","","","","","","1.037","","","","has coordinates","251322","2020-10-21","18:00:00",""
"4038312","11.2047","0.0002","16.3187","0.0003","21.2446","0.0004","90","","90.3635","0.0016","90","","3884.41","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H53 Cl2 N2 P -","- C43 H53 Cl2 N2 P -","- C172 H212 Cl8 N8 P4 -","4","1","","Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego Marcelo; Ghadwal, Rajendra S.","Isolation of Elusive Electrophilic Phosphinidene Complexes with π-Donor N-Heterocyclic Vinyl Substituents.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00176","","x-ray","0.71073","MoKα","","0.0555","0.0441","","","0.113","0.1199","","","","","","1.04","","","","has coordinates,has disorder","251323","2020-10-21","18:00:00",""
"4038313","13.9604","0.0003","11.1296","0.0002","11.0998","0.0002","90","","90","","90","","1724.62","0.06","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Horwitz, Matthew A.; Robins, Jacob G.; Johnson, Jeffrey S.","De Novo Synthesis of the DEF-Ring Stereotriad Core of the Veratrum Alkaloids","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00685","","","1.54178","CuKα","","0.0558","0.0482","","0.1211","0.1158","0.1211","","","","","","1.0092","","","","has coordinates","251324","2020-10-21","18:00:00",""
"4038314","8.365","0.005","12.146","0.007","12.735","0.008","90","","98.233","0.009","90","","1280.6","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O S -","- C15 H15 N O S -","- C60 H60 N4 O4 S4 -","4","1","","Chand-Thakuri, Pratibha; Landge, Vinod G.; Kapoor, Mohit; Young, Michael C.","One-Pot C-H Arylation/Lactamization Cascade Reaction of Free Benzylamines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00542","","","0.71073","MoKα","","0.0581","0.042","","","0.1222","0.1368","","","","","","0.978","","","","has coordinates","251325","2020-10-21","18:00:00",""
"4038315","11.7435","0.0016","22.987","0.003","11.0387","0.0018","90","","113.721","0.006","90","","2728.1","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 F2 N O -","- C17 H15 F2 N O -","- C136 H120 F16 N8 O8 -","8","1","","Chand-Thakuri, Pratibha; Landge, Vinod G.; Kapoor, Mohit; Young, Michael C.","One-Pot C-H Arylation/Lactamization Cascade Reaction of Free Benzylamines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00542","","","0.71073","MoKα","","0.0461","0.04","","","0.1372","0.1435","","","","","","1.202","","","","has coordinates","251326","2020-10-21","18:00:00",""
"4038316","8.892","0.003","10.123","0.003","15.21","0.005","90","","94.753","0.004","90","","1364.4","0.8","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 F N O -","- C17 H16 F N O -","- C68 H64 F4 N4 O4 -","4","1","","Chand-Thakuri, Pratibha; Landge, Vinod G.; Kapoor, Mohit; Young, Michael C.","One-Pot C-H Arylation/Lactamization Cascade Reaction of Free Benzylamines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00542","","","0.71073","MoKα","","0.0469","0.0405","","","0.1399","0.146","","","","","","1.231","","","","has coordinates","251327","2020-10-21","18:00:00",""
"4038317","11.5651","0.0006","20.5701","0.0011","12.4399","0.0007","90","","95.914","0.005","90","","2943.6","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 N3 O2 -","- C33 H37 N3 O2 -","- C132 H148 N12 O8 -","4","1","","Chen, Dianpeng; Yang, Min; Li, Jianming; Cui, Peiying; Su, Lei; Shan, Yingying; You, Jinmao; Rojsitthisak, Pornchai; Liu, Jin-Biao; Qiu, Guanyinsheng","Palladium-Catalyzed Cycloaddition of Alkynylimines, Double Isocyanides, and H2O/KOAc.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00323","","","0.71073","MoKα","","0.0894","0.0579","","","0.1475","0.1681","","","","","","1.033","","","","has coordinates","251328","2020-10-21","18:00:00",""
"4038318","8.8293","0.0005","25.4599","0.0014","10.8562","0.0007","90","","98.026","0.006","90","","2416.5","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 N3 O2 -","- C26 H33 N3 O2 -","- C104 H132 N12 O8 -","4","1","","Chen, Dianpeng; Yang, Min; Li, Jianming; Cui, Peiying; Su, Lei; Shan, Yingying; You, Jinmao; Rojsitthisak, Pornchai; Liu, Jin-Biao; Qiu, Guanyinsheng","Palladium-Catalyzed Cycloaddition of Alkynylimines, Double Isocyanides, and H2O/KOAc.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00323","","","0.71073","MoKα","","0.0906","0.0584","","","0.1371","0.1579","","","","","","1.021","","","","has coordinates","251329","2020-10-21","18:00:00",""
"4038319","24.002","0.003","11.4379","0.0017","18.394","0.003","90","","103.496","0.005","90","","4910.3","1.2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 N2 O4 -","- C29 H24 N2 O4 -","- C232 H192 N16 O32 -","8","1","","Vannada, Jagadeshwar; Sulthan, Mahesh; Arun, Doma; Dada, Ravikrishna; Yaragorla, Srinivasarao","Regiodivergent Synthesis of Penta-Substituted Pyrroles through a Cascade [3+2] Cyclisation of C-acylimines with Activated-Alkynes and Aromatic Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00712","","","0.71073","MoKα","","0.066","0.0501","","","0.1292","0.14","","","","","","1.066","","","","has coordinates","251381","2020-10-21","18:00:00",""
"4038320","12.078","0.0019","21.49","0.003","12.2066","0.0018","90","","117.223","0.005","90","","2817.4","0.7","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","naphthalyl pyrrole","","","- C33 H27 Cl N O5 -","- C33 H27 Cl N O5 -","- C132 H108 Cl4 N4 O20 -","4","1","","Vannada, Jagadeshwar; Sulthan, Mahesh; Arun, Doma; Dada, Ravikrishna; Yaragorla, Srinivasarao","Regiodivergent Synthesis of Penta-Substituted Pyrroles through a Cascade [3+2] Cyclisation of C-acylimines with Activated-Alkynes and Aromatic Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00712","","","0.71073","MoKα","","0.0679","0.0589","","","0.1695","0.1766","","","","","","1.051","","","","has coordinates","251382","2020-10-21","18:00:00",""
"4038321","7.976","0.003","11.054","0.004","22.319","0.007","79.904","0.009","80.498","0.01","82.348","0.009","1899.7","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C95 H94 N10 S4 -","- C95 H94 N10 S4 -","- C95 H94 N10 S4 -","1","0.5","","Yuan, Yuping; Lo, Kin-Cheung; Szeto, Lap; Chan, Wai-Kin","Synthesis of Pyrazinopyrazine-Fused Azaacenes through Direct Condensation Reactions between Quinoxalinediamine and Diketones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03504","","","0.71073","MoKα","","0.0785","0.0632","","","0.1567","0.1678","","","","","","1.113","","","","has coordinates,has disorder","251412","2020-10-21","18:00:00",""
"4038322","7.643","0.0005","8.3737","0.0005","18.759","0.0012","77.4125","0.0019","86.99","0.002","72.2796","0.0018","1116","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H32 N4 S2 -","- C24 H32 N4 S2 -","- C48 H64 N8 S4 -","2","1","","Yuan, Yuping; Lo, Kin-Cheung; Szeto, Lap; Chan, Wai-Kin","Synthesis of Pyrazinopyrazine-Fused Azaacenes through Direct Condensation Reactions between Quinoxalinediamine and Diketones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03504","","x-ray","0.71073","MoKα","","0.0441","0.0402","","","0.1121","0.1156","","","","","","1.057","","","","has coordinates","251414","2020-10-21","18:00:00",""
"4038323","6.2425","0.0003","13.6804","0.0005","22.8237","0.001","87.472","0.002","85.615","0.002","85.855","0.002","1936.89","0.14","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H37 Br2 Cl3 N4 S2 -","- C39 H37 Br2 Cl3 N4 S2 -","- C78 H74 Br4 Cl6 N8 S4 -","2","1","","Yuan, Yuping; Lo, Kin-Cheung; Szeto, Lap; Chan, Wai-Kin","Synthesis of Pyrazinopyrazine-Fused Azaacenes through Direct Condensation Reactions between Quinoxalinediamine and Diketones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03504","","","0.71073","MoKα","","0.0306","0.0239","","","0.0524","0.0548","","","","","","1.034","","","","has coordinates,has disorder","251415","2020-10-21","18:00:00",""
"4038324","15.1325","0.0013","12.4","0.0011","9.4338","0.0008","90","","90.8433","0.0012","90","","1770","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C88 H68 N4 O12 S4 -","4","1","","Ueda, Jun-Ichi; Enomoto, Yuuki; Seki, Mizuki; Konishi, Takuma; Ogasawara, Masamichi; Yoshida, Kazuhiro","Oxidative Cyclization of <i>o</i>-(1-Hydroxy-2-alkynyl)-<i>N</i>-tosylanilides for Synthesis of 4-Quinolones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00245","","","0.71073","MoKα","","0.058","0.0433","","","0.0997","0.109","","","","","","1.034","","","","has coordinates","251508","2020-10-21","18:00:00",""
"4038325","16.4905","0.001","12.0256","0.0007","9.3656","0.0006","90","","98.8943","0.0007","90","","1834.94","0.19","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C88 H68 N4 O12 S4 -","4","1","","Ueda, Jun-Ichi; Enomoto, Yuuki; Seki, Mizuki; Konishi, Takuma; Ogasawara, Masamichi; Yoshida, Kazuhiro","Oxidative Cyclization of <i>o</i>-(1-Hydroxy-2-alkynyl)-<i>N</i>-tosylanilides for Synthesis of 4-Quinolones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00245","","","0.71073","MoKα","","0.0461","0.0381","","","0.1004","0.1056","","","","","","1.047","","","","has coordinates","251509","2020-10-21","18:00:00",""
"4038326","14.5879","0.0004","10.2102","0.0003","23.8219","0.0007","90","","106.882","0.002","90","","3395.25","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H42 N4 O7 -","- C34 H42 N4 O7 -","- C136 H168 N16 O28 -","4","2","","Nguyen, Khiem Chau; Wang, Pengzhi; Sommer, Roger D.; Lindsey, Jonathan S.","Asymmetric Synthesis of a Bacteriochlorophyll Model Compound Containing <i>trans</i>-Dialkyl Substituents in Ring D.","The Journal of organic chemistry","2020","85","10","6605","6619","10.1021/acs.joc.0c00608","","","1.54178","CuKα","","0.0631","0.0483","","","0.1224","0.1326","","","","","","1.025","","","","has coordinates,has disorder","252622","2020-10-21","18:00:00",""
"4038327","6.0732","0.0013","11.111","0.002","29.291","0.006","90","","90","","90","","1976.5","0.7","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-fluoro-2,3-diphenylpent-4-en-2-yl 4-nitrobenzoate","","- C24 H20 F N O4 -","- C24 H20 F N O4 -","- C96 H80 F4 N4 O16 -","4","1","","Novikov, Maxim A.; Bobrova, Angelina; Mezentsev, Igor; Medvedev, Michael G.; Tomilov, Yury V.","(2-Fluoroallyl)boration of ketones with (2-fluoroallyl)boronates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03445","","","0.71073","MoKα","","0.1135","0.0554","","","0.1004","0.1233","","","","","","0.979","","","","has coordinates","251782","2020-10-21","18:00:00",""
"4038328","16.4039","0.0016","7.632","0.0008","32.433","0.003","90","","90","","90","","4060.4","0.7","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19.5 H20 I2 N2 O2 -","- C19.5 H20 I2 N2 O2 -","- C156 H160 I16 N16 O16 -","8","2","","Bell, Abbegail C.; Boomsma, Alex B.; Flikweert, Niecia E.; Hohlman, Robert M.; Zhang, Shiyuan; Blankespoor, Ronald L.; Biros, Shannon M.; Staples, Richard J.; Brickner, Steven J.; Barbachyn, Michael Robert","The Synthesis of Functionalized 3-Aryl- and 3-Heteroaryloxazolidin-2-ones and Tetrahydro-3-Aryl-1,3-oxazin-2-ones via the Iodocyclocarbamation Reaction. Access to Privileged Chemical Structures and Scope and Limitations of the Method.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03400","","","0.71073","MoKα","","0.066","0.0604","","","0.1452","0.1488","","","","","","1.174","","","","has coordinates,has disorder","251783","2020-10-21","18:00:00",""
"4038329","5.4777","0.0001","8.3194","0.0002","25.6879","0.0005","90","","90","","90","","1170.63","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Schnitzer, Tobias; Wennemers, Helma","Deactivation of Secondary Amine Catalysts via Aldol Reaction-Amine Catalysis under Solvent-Free Conditions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00665","","x-ray","1.54184","CuKα","","0.0352","0.0335","","","0.0834","0.0844","","","","","","1.077","","","","has coordinates","251819","2020-10-21","18:00:00",""
"4038330","10.4303","0.0006","11.5237","0.0006","23.1881","0.0012","90","","90","","90","","2787.1","0.3","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 O4 -","- C33 H40 O4 -","- C132 H160 O16 -","4","1","","Chen, Yu; Xue, Qing; Teng, Haida; Qin, Rui; Liu, Hong; Xu, Jing; Mei, Zhinan; Yang, Guangzhong","Acylphloroglucinol Derivatives with Tricyclo-[4.4.1.11,4] Dodecane Skeleton from Garcinia bracteata Fruits.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00637","","","1.54178","CuKα","","0.0345","0.0325","","","0.0779","0.0794","","","","","","1.041","","","","has coordinates","251820","2020-10-21","18:00:00",""
"4038331","7.1326","0.0009","15.291","0.002","8.2001","0.0012","90","","99.936","0.004","90","","880.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O2 S -","- C8 H11 N O2 S -","- C32 H44 N4 O8 S4 -","4","1","","Chen, Chien-Tien; Maity, Nabin Ch; Agarwal, Rachit; Lai, Chien-Fu; Liao, Yiya; Yu, Wei-Ru","Chiral Vanadyl(V) Complexes Enable Efficient Asymmetric Reduction of β-Ketoamides: Application toward (<i>S</i>)-Duloxetine.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00221","","","0.71073","MoKα","","0.0351","0.0325","","","0.0875","0.0896","","","","","","1.077","","","","has coordinates","251821","2020-10-21","18:00:00",""
"4038332","11.349","0.0013","18.809","0.002","16.489","0.002","90","","94.802","0.002","90","","3507.4","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H32 Cl2 O2 P2 Zn -","- C39 H32 Cl2 O2 P2 Zn -","- C156 H128 Cl8 O8 P8 Zn4 -","4","1","","Zhao, LuLu; Dong, Yanan; Xia, Qiangqiang; Bai, Jian-Fei; Li, Yuehui","Zn-Catalyzed Cyanation of Aryl Iodides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00269","","","0.71073","MoKα","","0.0622","0.048","","","0.1345","0.1477","","","","","","1.003","","","","has coordinates","251822","2020-10-21","18:00:00",""
"4038333","18.426","0.005","5.74","0.005","24.343","0.005","90","0.005","105.005","0.005","90","0.005","2487","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 N O5 -","- C28 H29 N O5 -","- C112 H116 N4 O20 -","4","1","","Kumar, Pankaj; Kumar, Rakesh; Banerjee, Prabal","Accessing Dihydro-1,2-oxazine via Cloke-Wilson type Annulation of Cyclopropyl Carbonyls: Application towards the Diastereoselective Synthesis of Pyrrolo[1,2-b][1,2]oxazine.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00531","","","0.71073","MoKα","","0.228","0.0892","","","0.2249","0.3043","","","","","","1.022","","","","has coordinates","251865","2020-10-21","18:00:00",""
"4038334","62.025","0.004","5.3766","0.0003","8.2455","0.0005","90","","92.464","0.002","90","","2747.2","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C136 H136 N8 O16 -","8","1","","Kumar, Pankaj; Kumar, Rakesh; Banerjee, Prabal","Accessing Dihydro-1,2-oxazine via Cloke-Wilson type Annulation of Cyclopropyl Carbonyls: Application towards the Diastereoselective Synthesis of Pyrrolo[1,2-b][1,2]oxazine.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00531","","","0.71073","MoKα","","0.0757","0.0576","","","0.1225","0.1326","","","","","","1.084","","","","has coordinates","251866","2020-10-21","18:00:00",""
"4038335","10.9495","0.0013","10.4491","0.001","17.3052","0.0017","90","","94.99","0.011","90","","1972.4","0.4","286","4","286","4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C92 H76 N4 O12 S4 -","4","1","","Cheng, Bin; Li, Yuntong; Wang, Taimin; Zhang, Xinping; Li, Hui; He, YiXuan; Li, Yun; Zhai, Hongbin","Application of Pyridinium 1,4-Zwitterionic Thiolates: Synthesis of Benzopyridothiazepines and Benzothiophenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00374","","","0.71073","MoKα","","0.1104","0.0618","","","0.1222","0.1582","","","","","","1.041","","","","has coordinates","251867","2020-10-21","18:00:00",""
"4038336","10.384","0.008","10.986","0.008","19.425","0.014","102.72","0.02","92.22","0.04","109.91","0.03","2017","3","293","","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H48 N2 O5 -","- C50 H48 N2 O5 -","- C100 H96 N4 O10 -","2","1","","Schmidt, Elena Yu; Tatarinova, Inna V.; Ushakov, Igor A.; Vashchenko, Alexander Valentine; Trofimov, Boris A.","Oxaazabicyclooctene Oxides, Another Type of Bridgehead Nitrones: Diastereoselective Assembly from Acetylene gas, Ketones and Hydroxyl Amine.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00742","","","0.71073","MoKα","","0.1074","0.0539","","","0.1121","0.1309","","","","","","1.06","","","","has coordinates","251868","2020-10-21","18:00:00",""
"4038337","8.234","0.0002","12.4121","0.0004","16.2533","0.0005","90","","90","","90","","1661.11","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O -","- C20 H27 N O -","- C80 H108 N4 O4 -","4","1","","Taeufer, Tobias; Pospech, Jola","Palladium-Catalyzed Synthesis of <i>N</i>,<i>N-</i>Dimethylanilines via Buchwald-Hartwig Amination of (Hetero)aryl Triflates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00491","","","1.54178","CuKα","","0.0453","0.0442","","","0.1217","0.1234","","","","","","1.052","","","","has coordinates","251933","2020-10-21","18:00:00",""
"4038338","12.061","0.002","28.652","0.005","16.333","0.003","90","","102.425","0.002","90","","5512","1.7","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O6 -","- C20 H19 N O6 -","- C240 H228 N12 O72 -","12","3","","Duddupudi, Anantha Lakshmi; Pandey, Pankaj; Vo, Hien; Welsh, Colin L.; Doerksen, Robert J.; Cuny, Gregory D.","Hypervalent Iodine Mediated Oxidative Cyclization of Acrylamide N-Carbamates to 5,5-Disubstituted Oxazolidine-2,4-diones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00581","","","0.71073","MoKα","","0.0554","0.0474","","","0.1204","0.1269","","","","","","1.123","","","","has coordinates,has disorder","251955","2020-10-21","18:00:00",""
"4038339","13.342","0.002","9.109","0.002","15.058","0.003","90","","116.028","0.002","90","","1644.4","0.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O7 -","- C16 H19 N O7 -","- C64 H76 N4 O28 -","4","1","","Duddupudi, Anantha Lakshmi; Pandey, Pankaj; Vo, Hien; Welsh, Colin L.; Doerksen, Robert J.; Cuny, Gregory D.","Hypervalent Iodine Mediated Oxidative Cyclization of Acrylamide N-Carbamates to 5,5-Disubstituted Oxazolidine-2,4-diones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00581","","","0.71073","MoKα","","0.0408","0.0388","","","0.0927","0.094","","","","","","1.167","","","","has coordinates","251956","2020-10-21","18:00:00",""
"4038340","6.8579","0.0004","24.7186","0.0016","7.8064","0.0005","90","","99.07","0.003","90","","1306.78","0.14","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C52 H76 N4 O16 -","4","1","","Duddupudi, Anantha Lakshmi; Pandey, Pankaj; Vo, Hien; Welsh, Colin L.; Doerksen, Robert J.; Cuny, Gregory D.","Hypervalent Iodine Mediated Oxidative Cyclization of Acrylamide N-Carbamates to 5,5-Disubstituted Oxazolidine-2,4-diones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00581","","","1.54178","CuKα","","0.0335","0.0328","","","0.0865","0.0875","","","","","","1.052","","","","has coordinates","251957","2020-10-21","18:00:00",""
"4038341","9.4118","0.0012","10.1482","0.0014","11.4542","0.0015","112.346","0.003","101.577","0.003","106.514","0.003","909.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N6 O -","- C23 H16 N6 O -","- C46 H32 N12 O2 -","2","1","","Tsyrenova, Biligma; Khrustalev, Victor N.; Nenajdenko, Valentine Georgievich","2H-bis-1,2,3-triazolo-isoquinoline. Design, synthesis and photophysical study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00263","","","0.71073","MoKα","","0.1202","0.0792","","","0.1899","0.2167","","","","","","1.053","","","","has coordinates","251986","2020-10-21","18:00:00",""
"4038342","9.4834","0.0008","10.9838","0.0009","26.644","0.002","90","","98.619","0.003","90","","2744","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 N3 O2 -","- C34 H31 N3 O2 -","- C136 H124 N12 O8 -","4","1","","Tripathi, Shashank; Ambule, Mayur Diliprao; Srivastava, Ajay Kumar","Construction of Highly Functionalized Piperazinones <i>via</i> post-Ugi Cyclization and Diastereoselective Nucleophilic Addition.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00108","","","0.71073","MoKα","","0.1018","0.0519","","","0.1461","0.1791","","","","","","1.089","","","","has coordinates","251987","2020-10-21","18:00:00",""
"4038343","16.0762","0.0007","4.1491","0.0002","23.3019","0.0011","90","","95.784","0.002","90","","1546.36","0.12","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bromomethyl chlorobenzo selenophen chlorophenyl methanone","(3-(bromomethyl)-6-chlorobenzo[b]selenophen-2-yl)(4-chlorophenyl)methanone","","- C16 H9 Br Cl2 O Se -","- C16 H9 Br Cl2 O Se -","- C64 H36 Br4 Cl8 O4 Se4 -","4","1","","Casola, Kamila Kayser; Gomes, Matheus Rick; Back, Davi F.; Zeni, Gilson","Synthesis of Selenochromenes via Dehydration of Arylalkynols Promoted by Iron(III) Chloride and Diorganyl Diselenides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00741","","","0.71073","MoKα","","0.0752","0.0561","","","0.1659","0.1758","","","","","","1.089","","","","has coordinates","251988","2020-10-21","18:00:00",""
"4038344","7.0078","0.0004","9.6334","0.0006","13.8589","0.0008","110.327","0.002","92.316","0.002","96.373","0.002","868.78","0.09","127","2","127","2","","","","","","","","3","P -1","-P 1","2","methylene phenyl phenylselanyl selenochromene","4-methylene-2-phenyl-3-(phenylselanyl)-4H-selenochromene","","- C22 H16 Se2 -","- C22 H16 Se2 -","- C44 H32 Se4 -","2","1","","Casola, Kamila Kayser; Gomes, Matheus Rick; Back, Davi F.; Zeni, Gilson","Synthesis of Selenochromenes via Dehydration of Arylalkynols Promoted by Iron(III) Chloride and Diorganyl Diselenides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00741","","","0.71073","MoKα","","0.0268","0.0225","","","0.0535","0.0551","","","","","","1.056","","","","has coordinates","251989","2020-10-21","18:00:00",""
"4038345","10.9761","0.0008","11.2566","0.0008","17.267","0.0013","90","","98.209","0.002","90","","2111.5","0.3","273.15","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N O4 S -","- C24 H25 N O4 S -","- C96 H100 N4 O16 S4 -","4","1","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0914","0.0489","","","0.105","0.121","","","","","","1.03","","","","has coordinates,has disorder","251990","2020-10-21","18:00:00",""
"4038346","15.0965","0.0009","12.1682","0.0007","21.8118","0.0012","90","","94.212","0.002","90","","3995.9","0.4","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H40 N4 O6 S2 -","- C37 H40 N4 O6 S2 -","- C148 H160 N16 O24 S8 -","4","0.5","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0586","0.0385","","","0.0995","0.1092","","","","","","1.027","","","","has coordinates","251991","2020-10-21","18:00:00",""
"4038347","12.7711","0.0008","11.491","0.0007","16.0665","0.001","90","","101.628","0.002","90","","2309.4","0.2","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 Br N2 O3 S -","- C23 H29 Br N2 O3 S -","- C92 H116 Br4 N8 O12 S4 -","4","1","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.045","0.0306","","","0.0798","0.0844","","","","","","1.051","","","","has coordinates","251992","2020-10-21","18:00:00",""
"4038348","5.9218","0.0006","21.635","0.002","17.5661","0.0016","90","","98.815","0.004","90","","2224","0.4","230","2","230","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Cl N2 O3 S -","- C23 H27 Cl N2 O3 S -","- C92 H108 Cl4 N8 O12 S4 -","4","1","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0656","0.0397","","","0.0915","0.1014","","","","","","1.027","","","","has coordinates","251993","2020-10-21","18:00:00",""
"4038349","10.5538","0.0007","21.7626","0.0014","10.9319","0.0007","90","","116.908","0.002","90","","2239","0.3","273.15","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 O3 S -","- C24 H30 N2 O3 S -","- C96 H120 N8 O12 S4 -","4","1","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0572","0.0399","","","0.1014","0.1099","","","","","","1.039","","","","has coordinates","251994","2020-10-21","18:00:00",""
"4038350","8.904","0.0005","11.4226","0.0007","11.9517","0.0007","81.001","0.002","89.408","0.002","77.106","0.002","1169.95","0.12","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H22 Br Cl N2 O4 S -","- C25 H22 Br Cl N2 O4 S -","- C50 H44 Br2 Cl2 N4 O8 S2 -","2","1","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0563","0.0374","","","0.0955","0.1019","","","","","","1.063","","","","has coordinates","251995","2020-10-21","18:00:00",""
"4038351","11.8945","0.0009","21.4091","0.0015","28.158","0.002","90","","96.41","0.003","90","","7125.6","0.9","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37.32 H41.26 N4 O6.32 S2 -","- C37.3165 H41.266 N4 O6.3165 S2 -","- C298.532 H330.128 N32 O50.532 S16 -","8","2","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0717","0.0522","","","0.1222","0.1309","","","","","","1.102","","","","has coordinates,has disorder","251996","2020-10-21","18:00:00",""
"4038352","5.9971","0.0002","19.0997","0.0008","20.3305","0.0008","69.0014","0.0014","87.1419","0.0016","87.6311","0.0016","2170.67","0.15","273.15","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N O3 S2 -","- C24 H25 N O3 S2 -","- C96 H100 N4 O12 S8 -","4","2","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0621","0.0386","","","0.0934","0.1009","","","","","","1.05","","","","has coordinates","251997","2020-10-21","18:00:00",""
"4038353","9.0972","0.0004","10.3026","0.0004","16.9599","0.0007","90","","93.482","0.002","90","","1586.63","0.11","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 Cl N O2 S -","- C17 H18 Cl N O2 S -","- C68 H72 Cl4 N4 O8 S4 -","4","1","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0614","0.0371","","","0.087","0.0958","","","","","","1.056","","","","has coordinates","251998","2020-10-21","18:00:00",""
"4038354","15.4987","0.0008","11.7051","0.0006","21.9098","0.0011","90","","90.544","0.002","90","","3974.6","0.4","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 N2 O4 S -","- C20 H24 N2 O4 S -","- C160 H192 N16 O32 S8 -","8","1","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.059","0.0419","","","0.0953","0.1041","","","","","","1.022","","","","has coordinates,has disorder","251999","2020-10-21","18:00:00",""
"4038355","10.5408","0.0007","11.4873","0.0007","19.3042","0.0013","90","","102.914","0.002","90","","2278.3","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 N2 O3 S -","- C25 H32 N2 O3 S -","- C100 H128 N8 O12 S4 -","4","1","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0591","0.0396","","","0.097","0.1044","","","","","","1.038","","","","has coordinates","252000","2020-10-21","18:00:00",""
"4038356","11.2212","0.0002","11.8966","0.0002","14.6501","0.0002","90","","90","","90","","1955.7","0.05","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 Cl5 N2 Pd -","- C15 H27 Cl5 N2 Pd -","- C60 H108 Cl20 N8 Pd4 -","4","1","","Higgins, Tyler; Winkler, Jeffrey D.","Synthesis and Applications of the C2-Symmetrical Diamine, 2,7-diazabicyclo[4.4.1]undecane.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00829","","","0.71073","MoKα","","0.0204","0.0182","","","0.0375","0.0381","","","","","","1.036","","","","has coordinates","252026","2020-10-21","18:00:00",""
"4038357","8.3932","0.0003","13.9575","0.0004","17.1315","0.0005","90","","101.894","0.002","90","","1963.84","0.11","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H54 Cl10 N4 Pd2 -","- C30 H54 Cl10 N4 Pd2 -","- C60 H108 Cl20 N8 Pd4 -","2","1","","Higgins, Tyler; Winkler, Jeffrey D.","Synthesis and Applications of the C2-Symmetrical Diamine, 2,7-diazabicyclo[4.4.1]undecane.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00829","","","0.71073","MoKα","","0.033","0.0268","","","0.0539","0.0556","","","","","","1.054","","","","has coordinates","252027","2020-10-21","18:00:00",""
"4038358","17.7611","0.0012","6.7132","0.0004","21.4546","0.0014","90","","108.886","0.002","90","","2420.4","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N7 O11 -","- C22 H23 N7 O11 -","- C88 H92 N28 O44 -","4","1","","Higgins, Tyler; Winkler, Jeffrey D.","Synthesis and Applications of the C2-Symmetrical Diamine, 2,7-diazabicyclo[4.4.1]undecane.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00829","","","0.71073","MoKα","","0.0664","0.0545","","","0.1456","0.1561","","","","","","1.031","","","","has coordinates","252028","2020-10-21","18:00:00",""
"4038359","16.5022","0.0018","10.2548","0.0011","17.2164","0.0017","90","","104.336","0.004","90","","2822.8","0.5","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H108 Li8 N4 O4 -","- C46 H108 Li8 N4 O4 -","- C92 H216 Li16 N8 O8 -","2","1","","Higgins, Tyler; Winkler, Jeffrey D.","Synthesis and Applications of the C2-Symmetrical Diamine, 2,7-diazabicyclo[4.4.1]undecane.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00829","","","0.71073","MoKα","","0.049","0.0415","","","0.104","0.1078","","","","","","1.04","","","","has coordinates,has disorder","252029","2020-10-21","18:00:00",""
"4038360","13.6817","0.0004","7.8188","0.0002","16.3276","0.0005","90","","90","","90","","1746.64","0.09","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H23 Cl5 N2 Pd -","- C12 H23 Cl5 N2 Pd -","- C48 H92 Cl20 N8 Pd4 -","4","1","","Higgins, Tyler; Winkler, Jeffrey D.","Synthesis and Applications of the C2-Symmetrical Diamine, 2,7-diazabicyclo[4.4.1]undecane.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00829","","","0.71073","MoKα","","0.02","0.0183","","","0.0394","0.0399","","","","","","1.105","","","","has coordinates","252030","2020-10-21","18:00:00",""
"4038361","26.7679","0.0003","10.09187","0.00012","28.899","0.0003","90","","92.1046","0.0009","90","","7801.46","0.15","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H64 Ni O P2 Si -","- C40 H64 Ni O P2 Si -","- C320 H512 Ni8 O8 P16 Si8 -","8","1","","Nakatani, Syun; Ito, Yuri; Sakurai, Shun; Kodama, Takuya; Tobisu, Mamoru","Nickel-Catalyzed Decarbonylation of Acylsilanes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00772","","x-ray","1.54184","CuKα","","0.0371","0.0329","","","0.0893","0.092","","","","","","1.051","","","","has coordinates","252031","2020-10-21","18:00:00",""
"4038362","16.643","0.003","21.249","0.004","14.381","0.003","90","","90","","90","","5085.8","1.7","293","2","293","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C30 H22 N2 O2 Se2 -","- C30 H22 N2 O2 Se2 -","- C240 H176 N16 O16 Se16 -","8","1","","Liu, Zhengfen; Jiang, Yonggang; Liu, Chunxiang; Zhang, Linlin; Wang, Jing; Li, Tiantian; Zhang, Hongbin; Li, Minyan; Yang, Xiaodong","Metal-free Synthesis of Phenol-Aryl Selenides via Dehydrogenative C-Se Coupling of Aryl Selenoxides with Phenols.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00792","","","0.71073","MoKα","","0.0893","0.041","","","0.0692","0.0861","","","","","","0.994","","","","has coordinates","252058","2020-10-21","18:00:00",""
"4038363","19.113","0.005","17.823","0.005","19.861","0.006","90","","100.954","0.015","90","","6642","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","LCZ696-FILIPPA9-087-PHCH3","","","- C64 H92 Cl4 Mg4 O13 -","- C64 H92 Cl4 Mg4 O13 -","- C256 H368 Cl16 Mg16 O52 -","4","1","","Gu, Xingxian; Zhao, Jibin; Chen, Like; Li, Yunzhong; Yu, Bo; Tian, Xiangguang; Min, Zhongcheng; Xu, Su; Gu, Huijuan; Sun, Junjie; Lu, Xiaoquan; Chang, Meng; Wang, Xufan; Zhao, Liqun; Ye, Shengqing; Yang, Hongwei; Tian, Yingtao; Gao, Feng; Gai, Yu; Jia, Guanghua; Wu, Jingjing; Wang, Yan; Zhang, Jianghua; Zhang, Xuesong; Liu, Weichun; Gu, Xin; Luo, Xi; Dong, Hai; Wang, Huaimin; Schenkel, Berthold; Venturoni, Francesco; Filipponi, Paolo; Guelat, Bertrand; Allmendinger, Thomas; Wietfeld, Bernhard; Hoehn, Pascale; Kovacic, Nikola; Hermann, Luca; Schlama, Thierry; Ruch, Thomas; Derrien, Nadine; Piechon, Philippe; Kleinbeck, Florian","Application of Transition-Metal Catalysis, Biocatalysis, and Flow Chemistry as State-of-the-Art Technologies in the Synthesis of LCZ696.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00473","","","1.54178","CuKα","","0.0824","0.0491","","","0.1078","0.1237","","","","","","1.009","","","","has coordinates,has disorder","252107","2020-10-21","18:00:00",""
"4038364","13.34132","0.00011","11.57043","0.00008","16.78264","0.00015","90","","112.395","0.001","90","","2395.26","0.04","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 F3 N6 O3 P S -","- C21 H22 F3 N6 O3 P S -","- C84 H88 F12 N24 O12 P4 S4 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0291","0.0285","","","0.0754","0.0759","","","","","","1.02","","","","has coordinates,has disorder","252108","2020-10-21","18:00:00",""
"4038365","12.7884","0.0005","5.86021","0.00018","21.1423","0.0009","90","","107.479","0.004","90","","1511.3","0.1","100","0.4","100","0.4","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Cl2 F3 N2 O3 P S -","- C11 H8 Cl2 F3 N2 O3 P S -","- C44 H32 Cl8 F12 N8 O12 P4 S4 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.036","0.0354","","","0.1047","0.1052","","","","","","1.129","","","","has coordinates","252109","2020-10-21","18:00:00",""
"4038366","8.9698","0.0002","9.62662","0.00019","11.5862","0.00018","93.2154","0.0014","102.334","0.0017","90.6727","0.0019","975.54","0.03","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C17 H11 F3 N3 O3 P S3 -","- C17 H11 F3 N3 O3 P S3 -","- C34 H22 F6 N6 O6 P2 S6 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0402","0.0383","","","0.103","0.1051","","","","","","1.042","","","","has coordinates","252110","2020-10-21","18:00:00",""
"4038367","8.73091","0.00008","7.86576","0.00005","11.09899","0.00009","90","","110.593","0.001","90","","713.521","0.011","100","","100","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C11 H8 F7 N2 O3 P S -","- C11 H8 F7 N2 O3 P S -","- C22 H16 F14 N4 O6 P2 S2 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.023","0.023","","","0.0634","0.0634","","","","","","1.085","","","","has coordinates","252111","2020-10-21","18:00:00",""
"4038368","17.552","0.0002","8.75829","0.00009","16.02248","0.00019","90","","113.469","0.0014","90","","2259.3","0.05","99.99","0.17","99.99","0.17","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C27 H16 F3 N2 O3 P S -","- C27 H16 F3 N2 O3 P S -","- C108 H64 F12 N8 O12 P4 S4 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0402","0.04","","","0.1091","0.1092","","","","","","1.092","","","","has coordinates","252112","2020-10-21","18:00:00",""
"4038369","13.827","0.0002","13.9544","0.0003","20.1132","0.0003","73.762","0.002","72.102","0.001","78.218","0.002","3515.84","0.11","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C31 H43 F3 N6 O3.5 P S -","- C31 H43 F3 N6 O3.5 P S -","- C124 H172 F12 N24 O14 P4 S4 -","4","2","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0635","0.0609","","","0.1638","0.1668","","","","","","1.024","","","","has coordinates,has disorder","252113","2020-10-21","18:00:00",""
"4038370","7.0876","0.0003","12.8437","0.0004","13.035","0.0004","116.376","0.003","101.678","0.003","96.308","0.003","1013.7","0.07","99.99","0.1","99.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C21 H15 F3 N3 O3 P S -","- C21 H15 F3 N3 O3 P S -","- C42 H30 F6 N6 O6 P2 S2 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.043","0.0413","","","0.1124","0.1148","","","","","","1.035","","","","has coordinates","252114","2020-10-21","18:00:00",""
"4038371","9.33396","0.00012","8.28139","0.0001","11.25557","0.00014","90","","109.401","0.0014","90","","820.629","0.019","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C11 H8 Cl4 F3 N2 O3 P S -","- C11 H8 Cl4 F3 N2 O3 P S -","- C22 H16 Cl8 F6 N4 O6 P2 S2 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0246","0.0246","","","0.0587","0.0587","","","","","","1.092","","","","has coordinates,has disorder","252115","2020-10-21","18:00:00",""
"4038372","6.71538","0.00017","6.98592","0.00018","10.6276","0.0002","91.2912","0.0019","107.15","0.002","108.239","0.002","448.83","0.02","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C7 H4 Cl2 N P S -","- C7 H4 Cl2 N P S -","- C14 H8 Cl4 N2 P2 S2 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0229","0.0223","","","0.0608","0.0612","","","","","","1.074","","","","has coordinates","252116","2020-10-21","18:00:00",""
"4038373","8.62852","0.00012","13.86704","0.00018","9.96682","0.00011","90","","93.9632","0.0012","90","","1189.7","0.03","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Cl2 N P -","- C13 H8 Cl2 N P -","- C52 H32 Cl8 N4 P4 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.024","0.0232","","","0.0626","0.0634","","","","","","1.04","","","","has coordinates","252117","2020-10-21","18:00:00",""
"4038374","12.4333","0.0005","5.84986","0.00019","14.1072","0.0005","90","","109.657","0.004","90","","966.26","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 Cl2 N P -","- C9 H6 Cl2 N P -","- C36 H24 Cl8 N4 P4 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0633","0.0625","","","0.1577","0.1596","","","","","","1.086","","","","has coordinates","252118","2020-10-21","18:00:00",""
"4038375","7.2241","0.0005","9.0577","0.0007","10.9162","0.0008","95.055","0.003","99.126","0.003","109.45","0.003","657.34","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C11 H8 F3 N2 O3 P S -","- C11 H8 F3 N2 O3 P S -","- C22 H16 F6 N4 O6 P2 S2 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","","0.71073","MoKα","","0.0406","0.034","","","0.0875","0.0915","","","","","","1.044","","","","has coordinates","252119","2020-10-21","18:00:00",""
"4038376","17.327","0.00013","12.54811","0.0001","19.52034","0.00014","90","","99.518","0.0007","90","","4185.71","0.06","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H56 F3 N6 O4 P S -","- C37 H56 F3 N6 O4 P S -","- C148 H224 F12 N24 O16 P4 S4 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0439","0.0407","","","0.111","0.1148","","","","","","1.053","","","","has coordinates","252120","2020-10-21","18:00:00",""
"4038377","30.88","0.0003","7.96591","0.00007","29.4064","0.0003","90","","110.09","0.001","90","","6793.45","0.12","100","0.1","100","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C27 H21.13 F9 N6 O9 P S3 -","- C26.999 H21.13 F9 N5.9995 O9 P S3 -","- C215.992 H169.04 F72 N47.996 O72 P8 S24 -","8","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.071","0.0697","","","0.1846","0.1857","","","","","","1.043","","","","has coordinates,has disorder","252121","2020-10-21","18:00:00",""
"4038378","8.79642","0.0001","19.3254","0.0002","42.267","0.0006","90","","90","","90","","7185.15","0.15","99.99","0.18","99.99","0.18","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H30 F3 N6 O3 P S -","- C41 H30 F3 N6 O3 P S -","- C328 H240 F24 N48 O24 P8 S8 -","8","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0485","0.0451","","","0.1107","0.1131","","","","","","1.11","","","","has coordinates","252122","2020-10-21","18:00:00",""
"4038379","10.0533","0.0005","10.1641","0.0006","10.8552","0.0006","63.909","0.002","72.068","0.002","64.666","0.002","890.53","0.09","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C38 H44 O12 -","2","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0516","0.0408","","","0.1046","0.1126","","","","","","1.066","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038380","7.9278","0.001","8.4094","0.001","15.9103","0.0019","81.239","0.006","78.859","0.006","75.503","0.006","1001.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 O5 S -","- C23 H22 O5 S -","- C46 H44 O10 S2 -","2","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0397","0.0354","","","0.092","0.0952","","","","","","1.061","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038381","8.5546","0.0002","9.0687","0.0002","9.976","0.0002","85.885","0.001","73.753","0.001","86.552","0.001","740.46","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 O4 S -","- C17 H16 O4 S -","- C34 H32 O8 S2 -","2","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0348","0.0312","","","0.0833","0.086","","","","","","1.059","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038382","9.0626","0.0002","9.7391","0.0002","11.0422","0.0002","74.248","0.001","73.079","0.001","84.706","0.001","897.3","0.03","99","2","99","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 F O4 S -","- C22 H17 F O4 S -","- C44 H34 F2 O8 S2 -","2","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0429","0.0351","","","0.0973","0.104","","","","","","1.09","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038383","9.4622","0.0006","9.7507","0.0006","13.1691","0.001","98.226","0.003","101.267","0.003","117.085","0.003","1022.78","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 O5 S -","- C24 H22 O5 S -","- C48 H44 O10 S2 -","2","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0724","0.0617","","","0.1574","0.1696","","","","","","1.163","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038384","12.1394","0.0008","12.8311","0.0009","16.4085","0.0012","107.146","0.003","97.16","0.003","95.193","0.003","2401.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 O6 S -","- C24 H22 O6 S -","- C96 H88 O24 S4 -","4","2","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.103","0.0669","","","0.1621","0.1813","","","","","","1.079","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038385","8.1007","0.0008","25.249","0.003","11.9527","0.0011","90","","104.451","0.005","90","","2367.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 O7 S -","- C26 H26 O7 S -","- C104 H104 O28 S4 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0418","0.0345","","","0.0824","0.0867","","","","","","1.055","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038386","19.3636","0.0003","13.1724","0.0002","14.6482","0.0003","90","","96.835","0.001","90","","3709.69","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O7 S -","- C20 H22 O7 S -","- C160 H176 O56 S8 -","8","2","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0395","0.0329","","","0.0877","0.0921","","","","","","1.035","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038387","8.6178","0.0007","9.0183","0.0007","9.6399","0.0008","79.873","0.004","75.377","0.004","85.646","0.004","713.24","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 O4 S2 -","- C15 H14 O4 S2 -","- C30 H28 O8 S4 -","2","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.036","0.0321","","","0.0793","0.0824","","","","","","1.04","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038388","10.592","0.004","10.873","0.005","11.134","0.004","100.081","0.013","94.108","0.013","96.439","0.012","1249","0.9","99","2","99","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H32 O4 -","- C32 H32 O4 -","- C64 H64 O8 -","2","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.1193","0.0837","","","0.2196","0.2436","","","","","","1.065","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038389","11.0688","0.0009","14.9195","0.0013","7.8135","0.0007","90","","101.658","0.002","90","","1263.71","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F O2 -","- C16 H15 F O2 -","- C64 H60 F4 O8 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0362","0.0317","","","0.0821","0.0852","","","","","","1.058","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038390","14.7692","0.0017","10.2619","0.0012","5.9666","0.0006","90","","90","","90","","904.3","0.17","100","2","100","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C19 H22 Cl2 O4 -","- C19 H22 Cl2 O4 -","- C38 H44 Cl4 O8 -","2","0.5","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0304","0.0293","","","0.0788","0.0795","","","","","","1.064","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038391","8.3017","0.0005","10.384","0.0006","21.381","0.0012","90","","94.188","0.003","90","","1838.22","0.19","99","2","99","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C23 H20 O4 S -","- C23 H20 O4 S -","- C92 H80 O16 S4 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0385","0.0324","","","0.0847","0.0891","","","","","","1.045","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038392","8.3081","0.0003","10.2495","0.0003","20.9221","0.0007","90","","94.604","0.002","90","","1775.85","0.1","99","2","99","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C22 H17 F O4 S -","- C22 H17 F O4 S -","- C88 H68 F4 O16 S4 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0615","0.0448","","","0.1119","0.121","","","","","","1.023","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038393","20.676","0.002","14.0649","0.0014","9.2725","0.0008","90","","101.965","0.004","90","","2637.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 O6 S2 -","- C30 H28 O6 S2 -","- C120 H112 O24 S8 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.1252","0.0982","","","0.2655","0.2791","","","","","","1.067","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038394","4.9482","0.0006","26.28","0.003","32.363","0.003","90","","90","","90","","4208.4","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H23 N O -","- C28 H23 N O -","- C224 H184 N8 O8 -","8","1","","Zhang, Jie; Wang, Jia-Yin; Huang, Min-Hua; Hao, Wen-Juan; Tu, Xing-Chao; Tu, Shu-Jiang; Jiang, Bo","Ligand-Free Pd-Catalyzed Synthesis of 3-Allylbenzofurans by Merging Decarboxylative Allylation and Nucleophilic Cyclization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00375","","","1.54178","CuKα","","0.1883","0.1172","","","0.3104","0.3626","","","","","","1.056","","","","has coordinates","252183","2020-10-21","18:00:00",""
"4038395","18.6894","0.0006","12.8738","0.0004","25.594","0.0008","90","","105.831","0.003","90","","5924.4","0.3","295","2","295","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H28 N3 Ni O2 P -","- C32 H28 N3 Ni O2 P -","- C256 H224 N24 Ni8 O16 P8 -","8","1","","Balamurugan, Gunasekaran; Ramesh, Rengan; Malecki, Jan Grzegorz","Nickel(II) - NɅNɅO Pincer Type Complexes Catalyzed N-alkylation of Amines with Alcohols via Hydrogen Auto Transfer Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00530","","x-ray","0.71073","MoKα","","0.063","0.0408","","","0.0932","0.1061","","","","","","1.047","","","","has coordinates","252184","2020-10-21","18:00:00",""
"4038396","18.6292","0.0011","12.8456","0.0008","25.5273","0.0014","90","","106.687","0.006","90","","5851.5","0.6","295","2","295","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C33 H32 N3 Ni O2 P -","- C33 H32 N3 Ni O2 P -","- C264 H256 N24 Ni8 O16 P8 -","8","1","","Balamurugan, Gunasekaran; Ramesh, Rengan; Malecki, Jan Grzegorz","Nickel(II) - NɅNɅO Pincer Type Complexes Catalyzed N-alkylation of Amines with Alcohols via Hydrogen Auto Transfer Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00530","","x-ray","0.71073","MoKα","","0.0676","0.0452","","","0.1164","0.1299","","","","","","1.061","","","","has coordinates","252185","2020-10-21","18:00:00",""
"4038397","9.5507","0.0005","12.2508","0.0008","14.2643","0.0008","94.414","0.005","106.298","0.005","107.793","0.005","1500.91","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","guo_1","","- C28 H26 Fe I O5 P -","- C28 H26 Fe I O5 P -","- C56 H52 Fe2 I2 O10 P2 -","2","1","","Guo, Le; Gao, Yanpeng; Wang, Zishuo; Li, Zhi; Zhang, Yingjie; Wang, Haidong; Chen, Xihui; Gong, Zhenbo; Chen, Shufeng","Regio- and Stereoselective Synthesis of Highly Functionalized Tetrasubstituted Olefins by Iodine-Mediated Iodofunctionalization of Ferrocene-Containing Allenylphosphonates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00762","","x-ray","0.71073","MoKα","","0.0539","0.038","","","0.0854","0.0948","","","","","","1.016","","","","has coordinates","252217","2020-10-21","18:00:00",""
"4038398","25.9881","0.0004","25.9881","0.0004","13.308","0.0003","90","","90","","90","","8988","0.3","293","2","293","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C22 H19 Au Cl O P -","- C22 H19 Au Cl O P -","- C352 H304 Au16 Cl16 O16 P16 -","16","2","","Hu, Wei; Li, Er-Qing; Duan, Zheng; Mathey, François","Concise Synthesis of Phospholene and Its P-Stereogenic Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00545","","x-ray","1.54184","CuKα","","0.0476","0.0414","","","0.1155","0.12","","","","","","1.042","","","","has coordinates","252218","2020-10-21","18:00:00",""
"4038399","20.6268","0.0012","8.2898","0.0009","11.4377","0.0006","90","","101.734","0.005","90","","1914.9","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H40 O5 P2 -","- C44 H40 O5 P2 -","- C88 H80 O10 P4 -","2","0.5","","Hu, Wei; Li, Er-Qing; Duan, Zheng; Mathey, François","Concise Synthesis of Phospholene and Its P-Stereogenic Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00545","","x-ray","1.54184","CuKα","","0.05","0.0452","","","0.1218","0.1291","","","","","","1.074","","","","has coordinates","252219","2020-10-21","18:00:00",""
"4038400","9.851","0.003","9.897","0.003","12.535","0.004","109.173","0.003","110.356","0.003","94.319","0.003","1057.1","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 N4 Se2 -","- C26 H18 N4 Se2 -","- C52 H36 N8 Se4 -","2","1","","Matsumura, Mio; Takahashi, Tsutomu; Yamauchi, Hikari; Sakuma, Shunsuke; Hayashi, Yukako; Hyodo, Tadashi; Obata, Tohru; Yamaguchi, Kentaro; Fujiwara, Yasuyuki; Yasuike, Shuji","Synthesis and anticancer activity of bis(2-arylimidazo[1,2-a]pyridin-3-yl) selenides and diselenides: the copper-catalyzed tandem C‒H selenation of 2-arylimidazo[1,2-a]pyridine with selenium","Beilstein Journal of Organic Chemistry","2020","16","","1075","1083","10.3762/bjoc.16.94","","","0.71073","MoKα","","0.0821","0.0787","","","0.2577","0.2592","","","","","","1.11","","","","has coordinates","258191","2020-10-21","18:00:00",""
"4038401","12.1774","0.0009","13.8146","0.0011","12.5652","0.001","90","","102.665","0.002","90","","2062.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N4 Se -","- C26 H18 N4 Se -","- C104 H72 N16 Se4 -","4","1","","Matsumura, Mio; Takahashi, Tsutomu; Yamauchi, Hikari; Sakuma, Shunsuke; Hayashi, Yukako; Hyodo, Tadashi; Obata, Tohru; Yamaguchi, Kentaro; Fujiwara, Yasuyuki; Yasuike, Shuji","Synthesis and anticancer activity of bis(2-arylimidazo[1,2-a]pyridin-3-yl) selenides and diselenides: the copper-catalyzed tandem C‒H selenation of 2-arylimidazo[1,2-a]pyridine with selenium","Beilstein Journal of Organic Chemistry","2020","16","","1075","1083","10.3762/bjoc.16.94","","","1.54178","CuKα","","0.0237","0.0226","","","0.0594","0.0603","","","","","","1.05","","","","has coordinates","258191","2020-10-21","18:00:00",""
"4038402","6.3496","0.0001","9.8492","0.0002","29.5775","0.0007","90","","92.445","0.001","90","","1848.05","0.06","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N4 O4 S -","- C17 H18 N4 O4 S -","- C68 H72 N16 O16 S4 -","4","1","","Im, Jangbin; Shin, Sang Ik; Shin, Seunghoon","Aminooxygenation of Ynamides with N-Hydroxybenzotriazoles: Synthesis of α-Benzotriazolyl Carbonyl Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00174","","","0.71073","MoKα","","0.0873","0.0572","","","0.1246","0.137","","","","","","1.032","","","","has coordinates","252260","2020-10-21","18:00:00",""
"4038403","10.2605","0.0002","14.0437","0.0002","17.4967","0.0003","106.954","0.0009","98.7405","0.0009","105.299","0.0009","2253.44","0.07","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 F3 N4 O4 S -","- C23 H19 F3 N4 O4 S -","- C92 H76 F12 N16 O16 S4 -","4","2","","Im, Jangbin; Shin, Sang Ik; Shin, Seunghoon","Aminooxygenation of Ynamides with N-Hydroxybenzotriazoles: Synthesis of α-Benzotriazolyl Carbonyl Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00174","","","0.71073","MoKα","","0.071","0.0503","","","0.1218","0.1336","","","","","","1.029","","","","has coordinates,has disorder","252261","2020-10-21","18:00:00",""
"4038404","33.185","0.005","5.9809","0.0009","16.116","0.003","90","","109.647","0.003","90","","3012.4","0.9","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H32 O9 S2 -","- C33 H32 O9 S2 -","- C132 H128 O36 S8 -","4","1","","Maikhuri, Vipin Kumar; Khatri, Vinod; Kumar, Amit; Singh, Balram; Prasad, Ashok K.","Synthesis of Sugar Diene and its Pd-catalyzed Transformation into Chromanes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00432","","","0.71073","MoKα","","0.0369","0.0317","","","0.0689","0.0709","","","","","","0.991","","","","has coordinates","252286","2020-10-21","18:00:00",""
"4038405","4.6677","0.0003","11.0185","0.0007","13.017","0.0008","90","","90.865","0.002","90","","669.4","0.07","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H6 F4 I N O -","- C15 H6 F4 I N O -","- C30 H12 F8 I2 N2 O2 -","2","1","","Brittain, William David George; Cobb, Steven L.","Protecting Group Controlled Remote Regioselective Electrophilic Aromatic Halogenation Reactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03322","","x-ray","0.71073","MoKα","","0.0176","0.0163","","","0.0397","0.0401","","","","","","1.048","","","","has coordinates","252287","2020-10-21","18:00:00",""
"4038406","12.3523","0.0003","12.789","0.0003","12.8327","0.0003","90","","94.17","0.002","90","","2021.86","0.08","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 F4 I2 N O2 -","- C20 H13 F4 I2 N O2 -","- C80 H52 F16 I8 N4 O8 -","4","1","","Brittain, William David George; Cobb, Steven L.","Protecting Group Controlled Remote Regioselective Electrophilic Aromatic Halogenation Reactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03322","","x-ray","0.71073","MoKα","","0.0426","0.0294","","","0.0642","0.0711","","","","","","1.024","","","","has coordinates","252288","2020-10-21","18:00:00",""
"4038407","8.2239","0.001","11.2158","0.0011","25.146","0.003","90","","90","","90","","2319.4","0.5","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H8 F3 N O S -","- C12 H8 F3 N O S -","- C96 H64 F24 N8 O8 S8 -","8","1","","Yoo, Jeyeon; Ha, Heun-Jong; Kim, Bora; Cho, Chang-Woo","Synthesis of α-Trifluoromethylthio-α,β-unsaturated Carbonyl Compounds by DABCO-Mediated Electrophilic Trifluoromethylthiolation with <i>N</i>-SCF<sub>3</sub>-dibenzenesulfonimide.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00448","","","0.71073","MoKα","","0.0823","0.0588","","","0.1393","0.1554","","","","","","1.042","","","","has coordinates","252289","2020-10-21","18:00:00",""
"4038408","8.92","0.008","13.754","0.012","17.019","0.017","90","","103.67","0.02","90","","2029","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 F N O2 -","- C26 H20 F N O2 -","- C104 H80 F4 N4 O8 -","4","1","","Nagireddy, Attunuri; Singam, Maneesh Kumar Reddy; Nanubolu, Jagadeesh Babu; Sridhar Reddy, Maddi","Base Mediated Cyclopentannulation of Ynones with Amino Crotonates for Regio- & Stereoselective Synthesis of Pentafulvenes and Cyclopenta[c]quinolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00203","","","0.71073","MoKα","","0.0855","0.058","","","0.1613","0.1811","","","","","","1.161","","","","has coordinates","252361","2020-10-21","18:00:00",""
"4038409","14.3278","0.0008","16.401","0.0009","28.7615","0.0016","90","","90","","90","","6758.7","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H54 B F4 N4 P -","- C31 H54 B F4 N4 P -","- C248 H432 B8 F32 N32 P8 -","8","1","","Mboyi, Clève Dionel; Poater, Albert; Poater, Jordi; Duhayon, Carine; Chauvin, Remi","Cyclopropenylidenephosphoranes: Rearrangement to Azetidinylidene-Methylphosphoniums.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00847","","","0.71073","MoKα","","0.0828","0.0575","","0.0627","0.0477","0.0437","","","","","","1.102","","","","has coordinates","252362","2020-10-21","18:00:00",""
"4038410","6.7935","0.0002","8.8102","0.0003","9.8737","0.0004","101.487","0.002","108.498","0.002","106.224","0.002","510.53","0.03","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C24 H24 O8 -","2","1","","Castillo, Juan-Carlos; Castro-Agudelo, Brian; Gálvez, Jaime; Carissan, Yannick; Rodríguez, Jean; Coquerel, Yoann","Periselectivity in the aza-Diels-Alder cycloaddition between α-oxoketenes and N-(5-pyrazolyl)imines: a combined experimental and theoretical study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00767","","","0.71073","MoKα","","0.0821","0.0563","","","0.1638","0.1974","","","","","","1.202","","","","has coordinates","252363","2020-10-21","18:00:00",""
"4038411","9.7851","0.0002","10.0054","0.0003","17.1038","0.0004","99.977","0.002","101.184","0.002","90.391","0.002","1616.47","0.07","295","","295","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H42 O13 -","- C32 H42 O13 -","- C64 H84 O26 -","2","1","","Castillo, Juan-Carlos; Castro-Agudelo, Brian; Gálvez, Jaime; Carissan, Yannick; Rodríguez, Jean; Coquerel, Yoann","Periselectivity in the aza-Diels-Alder cycloaddition between α-oxoketenes and N-(5-pyrazolyl)imines: a combined experimental and theoretical study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00767","","x-ray","1.54184","CuKα","","0.055","0.0492","","","0.1466","0.1554","","","","","","1.05","","","","has coordinates","252364","2020-10-21","18:00:00",""
"4038412","20.6034","0.0008","20.133","0.0008","22.4357","0.0008","90","","91.989","0.001","90","","9300.9","0.6","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H98 N8 O33 S8 -","- C90 H98 N8 O33 S8 -","- C360 H392 N32 O132 S32 -","4","1","","Kuznetsova, Svetlana A.; Gak, Alexander S.; Nelyubina, Yulia V.; Larionov, Vladimir A.; Li, Han; North, Michael; Zhereb, Vladimir P.; Smol'yakov, Alexander F.; Dmitrienko, Artem O.; Medvedev, Michael G.; Gerasimov, Igor S.; Saghyan, Ashot S.; Belokon, Yuri N.","The charge-assisted hydrogen-bonded organic framework (CAHOF) self-assembled from the conjugated acid of tetrakis(4-aminophenyl)methane and 2,6-naphthalenedisulfonate as a new class of recyclable Brønsted acid catalysts","Beilstein Journal of Organic Chemistry","2020","16","","1124","1134","10.3762/bjoc.16.99","","","0.71073","MoKα","","0.0852","0.0578","","","0.1437","0.1719","","","","","","1.025","","","","has coordinates,has disorder","258197","2020-10-21","18:00:00",""
"4038413","13.416","0.007","13.887","0.007","22.73","0.012","88.564","0.008","87.351","0.008","89.836","0.009","4229","4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H40 N4 O12 S4 -","- C45 H40 N4 O12 S4 -","- C180 H160 N16 O48 S16 -","4","2","","Kuznetsova, Svetlana A.; Gak, Alexander S.; Nelyubina, Yulia V.; Larionov, Vladimir A.; Li, Han; North, Michael; Zhereb, Vladimir P.; Smol'yakov, Alexander F.; Dmitrienko, Artem O.; Medvedev, Michael G.; Gerasimov, Igor S.; Saghyan, Ashot S.; Belokon, Yuri N.","The charge-assisted hydrogen-bonded organic framework (CAHOF) self-assembled from the conjugated acid of tetrakis(4-aminophenyl)methane and 2,6-naphthalenedisulfonate as a new class of recyclable Brønsted acid catalysts","Beilstein Journal of Organic Chemistry","2020","16","","1124","1134","10.3762/bjoc.16.99","","","0.71073","MoKα","","0.1772","0.104","","","0.2283","0.2786","","","","","","1.081","","","","has coordinates","258197","2020-10-21","18:00:00",""
"4038414","12.3713","0.0014","30.827","0.003","15.0142","0.0013","90","","95.618","0.009","90","","5698.5","1","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 N2 O2 -","- C38 H28.5 N2 O2 -","- C304 H228 N16 O16 -","8","2","","Isar, Prosenjit; Ravikanth, Mangalampalli","Dibenzoylbenzodipyrroles: Key Precursors for the Synthesis of Fused Meso-Aryl Sapphyrins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00663","","x-ray","0.71073","MoKα","","0.2673","0.0982","","","0.1886","0.2939","","","","","","0.97","","","","has coordinates","252398","2020-10-21","18:00:00",""
"4038415","7.3016","0.0003","9.599","0.0003","13.3084","0.0005","72.04","0.001","82.871","0.001","71.691","0.001","842.01","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C36 H46 N2 O14 -","2","1","","Peng, Xing-Rong; Shi, Qiangqiang; Yang, Jing; Su, Haiguo; Zhou, Lin; Qiu, Ming-Hua","Meroapplanins A‒E, Five Meroterpenoids with A 2,3,4,5-Tetrahydropyridine Motif from Ganoderma applanatum.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00842","","","1.54178","CuKα","","0.0432","0.0431","","","0.1927","0.1929","","","","","","1.884","","","","has coordinates","252399","2020-10-21","18:00:00",""
"4038416","14.6097","0.0005","14.6097","0.0005","15.4733","0.0005","90","","90","","90","","3302.67","0.19","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","[2,7,12,17-tetraethyl-3,8,13,18-tetraisopropyl-5,10,15,20-tetraphenylporphyrinato] nickel(II) DCM solvate","","- C65 H70 Cl2 N4 Ni -","- C65 H70 Cl2 N4 Ni -","- C130 H140 Cl4 N8 Ni2 -","2","0.25","","Kielmann, Marc; Flanagan, Keith J.; Senge, Mathias O.","Targeted Synthesis of Regioisomerically Pure Dodecasubstituted Type I Porphyrins through the Exploitation of Peri-interactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00798","","x-ray","1.54178","CuKα","","0.0777","0.077","","","0.2202","0.2208","","","","","","1.09","","","","has coordinates","252400","2020-10-21","18:00:00",""
"4038417","7.0408","0.001","9.2884","0.0013","16.116","0.003","90","","96.743","0.005","90","","1046.7","0.3","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl 4-phenyl-1H-pyrrole-3-carboxylate","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Senge, Mathias O.","Targeted Synthesis of Regioisomerically Pure Dodecasubstituted Type I Porphyrins through the Exploitation of Peri-interactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00798","","x-ray","0.71073","MoKα","","0.0728","0.047","","","0.1154","0.1339","","","","","","1.025","","","","has coordinates","252401","2020-10-21","18:00:00",""
"4038418","9.0803","0.0008","6.7468","0.0006","14.6471","0.0012","90","","91.91","0.002","90","","896.83","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-acetyl-4-isopropylpyrrole","","- C9 H13 N O -","- C9 H13 N O -","- C36 H52 N4 O4 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Senge, Mathias O.","Targeted Synthesis of Regioisomerically Pure Dodecasubstituted Type I Porphyrins through the Exploitation of Peri-interactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00798","","x-ray","0.71073","MoKα","","0.0669","0.0449","","","0.1015","0.1115","","","","","","1.045","","","","has coordinates","252402","2020-10-21","18:00:00",""
"4038419","27.1155","0.0007","27.1155","0.0007","27.1155","0.0007","90","","90","","90","","19936.7","0.9","100","2","100","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","2,7,12,17-tetraethyl-3,8,13,18-tetraisopropyl-5,10,15,20-tetraphenylporphyrin dication chlorine salt","","- C64 H72 Cl2 N4 -","- C64 H72 Cl2 N4 -","- C768 H864 Cl24 N48 -","12","0.25","","Kielmann, Marc; Flanagan, Keith J.; Senge, Mathias O.","Targeted Synthesis of Regioisomerically Pure Dodecasubstituted Type I Porphyrins through the Exploitation of Peri-interactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00798","","x-ray","1.54178","CuKα","","0.0786","0.0718","","","0.2016","0.2116","","","","","","1.068","","","","has coordinates","252403","2020-10-21","18:00:00",""
"4038420","11.9841","0.0011","25.969","0.003","16.0268","0.0016","90","","93.202","0.004","90","","4980","0.9","200","2","199.99","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C57 H42 O3 -","- C57 H42 O3 -","- C228 H168 O12 -","4","1","","Zhao, Hongyan; Cao, Lei; Huang, Shiqing; Ma, Chenxing; Chang, Yunhao; Feng, Kai; Zhao, Liang-Liang; Zhao, Peng; Yan, Xiaoyu","Synthesis, Structure, and Photophysical Properties of <i>m</i>-Phenylene-Embedded Cycloparaphenylene Nanorings.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00232","","","0.71073","MoKα","","0.1211","0.0649","","","0.1359","0.1526","","","","","","1.046","","","","has coordinates","252404","2020-10-21","18:00:00",""
"4038421","11.9728","0.0006","25.983","0.0013","15.1667","0.0009","90","","96.848","0.002","90","","4684.5","0.4","170","2","169.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C59 H48.6 Cl O1.3 -","- C59 H48.6 Cl O1.3 -","- C236 H194.4 Cl4 O5.2 -","4","1","","Zhao, Hongyan; Cao, Lei; Huang, Shiqing; Ma, Chenxing; Chang, Yunhao; Feng, Kai; Zhao, Liang-Liang; Zhao, Peng; Yan, Xiaoyu","Synthesis, Structure, and Photophysical Properties of <i>m</i>-Phenylene-Embedded Cycloparaphenylene Nanorings.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00232","","","0.71073","MoKα","","0.1452","0.0773","","","0.1939","0.2317","","","","","","1.002","","","","has coordinates,has disorder","252405","2020-10-21","18:00:00",""
"4038422","7.9861","0.0011","30.62","0.004","21.68","0.002","90","","94.355","0.004","90","","5286.2","1.1","170","2","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C57 H27 Cl9 F12 -","- C57 H27 Cl9 F12 -","- C228 H108 Cl36 F48 -","4","1","","Zhao, Hongyan; Cao, Lei; Huang, Shiqing; Ma, Chenxing; Chang, Yunhao; Feng, Kai; Zhao, Liang-Liang; Zhao, Peng; Yan, Xiaoyu","Synthesis, Structure, and Photophysical Properties of <i>m</i>-Phenylene-Embedded Cycloparaphenylene Nanorings.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00232","","","0.71073","MoKα","","0.1387","0.0787","","","0.1504","0.1749","","","","","","1.032","","","","has coordinates","252406","2020-10-21","18:00:00",""
"4038423","15.825","0.003","7.331","0.0015","18.791","0.004","90","","102.94","0.03","90","","2124.6","0.8","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7.5 H7.5 F7.5 N7.5 O7.5 S0.75 -","- C20 H18 F7 N O3 S -","- C80 H72 F28 N4 O12 S4 -","4","1","","Wang, Weilin; Cao, Xiaohui; Xiao, Weiguo; Shi, Xiaoyu; Zuo, Xiaodan; Liu, Lingyan; Chang, Weixing; Li, Jing","Stereospecific Synthesis of cis-2,5-disubstituted pyrrolidines via N,O-acetals Formed by Hydroamination Cyclization-Hydroalkoxylation of Homopropargylic Sulfonamides in HFIP.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00403","","","0.71073","MoKα","","0.0895","0.065","","","0.1699","0.1946","","","","","","1.073","","","","has coordinates","252407","2020-10-21","18:00:00",""
"4038424","9.077","0.0003","17.0044","0.0006","11.416","0.0003","90","","93.418","0.003","90","","1758.91","0.1","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N4 O2 -","- C21 H18 N4 O2 -","- C84 H72 N16 O8 -","4","1","","Patel, Om P. S.; Jaspal, Sonam; Shinde, Vikki N.; Nandwana, Nitesh Kumar; Rangan, Krishnan; Kumar, Anil","PIDA-Mediated 1,2-ipso-Migration in Mannich Bases of Imidazo[1,2-a]pyridines: Preparation of N-Acetoxymethyl/ Alkoxymethyl-N-arylimidazo[1,2-a]pyridine-3-amines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00674","","x-ray","0.71073","MoKα","","0.0409","0.0389","","","0.1057","0.1074","","","","","","1.028","","","","has coordinates","252408","2020-10-21","18:00:00",""
"4038425","13.078","0.0002","17.8116","0.0002","13.6505","0.0002","90","","98.684","0.001","90","","3143.3","0.08","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 O -","- C20 H17 N3 O -","- C160 H136 N24 O8 -","8","2","","Patel, Om P. S.; Jaspal, Sonam; Shinde, Vikki N.; Nandwana, Nitesh Kumar; Rangan, Krishnan; Kumar, Anil","PIDA-Mediated 1,2-ipso-Migration in Mannich Bases of Imidazo[1,2-a]pyridines: Preparation of N-Acetoxymethyl/ Alkoxymethyl-N-arylimidazo[1,2-a]pyridine-3-amines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00674","","x-ray","1.54184","CuKα","","0.0545","0.0484","","","0.1149","0.1184","","","","","","1.054","","","","has coordinates","252409","2020-10-21","18:00:00",""
"4038426","8.7653","0.0006","9.1903","0.0006","11.0216","0.0007","69.082","0.006","84.898","0.006","88.48","0.005","826.04","0.1","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N4 O -","- C20 H18 N4 O -","- C40 H36 N8 O2 -","2","1","","Patel, Om P. S.; Jaspal, Sonam; Shinde, Vikki N.; Nandwana, Nitesh Kumar; Rangan, Krishnan; Kumar, Anil","PIDA-Mediated 1,2-ipso-Migration in Mannich Bases of Imidazo[1,2-a]pyridines: Preparation of N-Acetoxymethyl/ Alkoxymethyl-N-arylimidazo[1,2-a]pyridine-3-amines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00674","","x-ray","0.71073","MoKα","","0.093","0.0779","","","0.2427","0.2546","","","","","","1.122","","","","has coordinates","252410","2020-10-21","18:00:00",""
"4038427","13.9209","0.0003","10.0413","0.0002","14.2411","0.0003","90","","97.005","0.001","90","","1975.82","0.07","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N3 O2 -","- C24 H21 N3 O2 -","- C96 H84 N12 O8 -","4","1","","Nagaraju, Koppanathi; Gurubrahamam, Ramani; Chen, Kwunmin","Organocatalytic Diastereoselective Synthesis of Diazoaryl-benzo[<i>b</i>]azepine Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00431","","","0.71073","MoKα","","0.0442","0.0347","","","0.0787","0.0869","","","","","","1.045","","","","has coordinates","252445","2020-10-21","18:00:00",""
"4038428","11.5479","0.0016","5.7655","0.0009","14.537","0.002","90","","110.348","0.005","90","","907.5","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","LSN3495203","","- C18 H18 Br N O4 S -","- C18 H18 Br N O4 S -","- C36 H36 Br2 N2 O8 S2 -","2","1","","Magnus, Nicholas Andrew; Buser, Jonas Y.; Embry, Matthew C.; Kallman, Neil John","Diastereoselective Pictet-Spengler Based Synthesis of a Chiral Tetrahydroisoquinoline D1 Potentiator.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00177","","","1.54178","CuKα","","0.083","0.0784","","","0.2155","0.2253","","","","","","1.259","","","","has coordinates","252446","2020-10-21","18:00:00",""
"4038429","15.5606","0.0006","8.3186","0.0003","19.5153","0.0007","90","","112.799","0.001","90","","2328.74","0.15","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","LSN3179159","","- C12 H12 Br N O2 -","- C12 H12 Br N O2 -","- C96 H96 Br8 N8 O16 -","8","4","","Magnus, Nicholas Andrew; Buser, Jonas Y.; Embry, Matthew C.; Kallman, Neil John","Diastereoselective Pictet-Spengler Based Synthesis of a Chiral Tetrahydroisoquinoline D1 Potentiator.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00177","","","1.54178","CuKα","","0.0563","0.0554","","","0.1851","0.1874","","","","","","1.641","","","","has coordinates","252447","2020-10-21","18:00:00",""
"4038430","6.0173","0.0002","16.885","0.0005","17.2658","0.0005","90","","90","","90","","1754.24","0.09","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","","Sicignano, Marina; Schettini, Rosaria; Pierri, Giovanni; Marino, Maria Leda; Izzo, Irene; De Riccardis, Francesco; Bernardi, Luca; Sala, Giorgio Della","An Entry to Enantioenriched 3,3-Disubstituted Phthalides through Asymmetric Phase-Transfer-Catalyzed γ-Alkylation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00880","","","1.54178","CuKα","","0.0355","0.0343","","","0.0888","0.0898","","","","","","1.058","","","","has coordinates","252448","2020-10-21","18:00:00",""
"4038431","28.371","0.002","28.371","0.002","7.9856","0.0006","90","","90","","90","","6427.7","0.8","100","2","100","2","","","","","","","","3","I 41 c d","I 4bw -2c","110","","","","- C22 H18 O -","- C22 H18 O -","- C352 H288 O16 -","16","1","","Bartolo, Nicole D.; Woerpel, K. A.","Evidence Against Single-Electron Transfer in the Additions of Most Organomagnesium Reagents to Carbonyl Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00481","","","0.71073","MoKα","","0.0472","0.0449","","","0.113","0.1148","","","","","","1.04","","","","has coordinates","252459","2020-10-21","18:00:00",""
"4038432","19.1861","0.001","8.0835","0.0004","21.0439","0.0011","90","","90","","90","","3263.7","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H20 O -","- C23 H20 O -","- C184 H160 O8 -","8","1","","Bartolo, Nicole D.; Woerpel, K. A.","Evidence Against Single-Electron Transfer in the Additions of Most Organomagnesium Reagents to Carbonyl Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00481","","","0.71073","MoKα","","0.055","0.0472","","","0.1191","0.1244","","","","","","1.063","","","","has coordinates","252460","2020-10-21","18:00:00",""
"4038433","7.6953","0.0011","11.0541","0.0016","13.701","0.0017","77.15","0.011","81.52","0.011","80.98","0.012","1114.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 B2 N2 S -","- C28 H20 B2 N2 S -","- C56 H40 B4 N4 S2 -","2","1","","Zhang, Qian; Sun, Zhe; Zhang, Lei; Li, Mengyuan; Zi, Lingjian; Liu, Zongyu; Zhen, Bin; Sun, Wenfang; Liu, Xuguang","Synthesis, Structures, and Properties of BN-Dinaphthothiophenes: Influence of B and N Placement on Photophysical Properties and Aromaticity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00541","","","0.71073","MoKα","","0.1396","0.066","","","0.1363","0.1783","","","","","","0.912","","","","has coordinates","252461","2020-10-21","18:00:00",""
"4038434","25.915","0.005","8.985","0.004","25.802","0.009","90","","106.34","0.03","90","","5765","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H23 B2 Cl3 N2 S -","- C31 H B2 Cl3 N2 S -","- C248 H8 B16 Cl24 N16 S8 -","8","1","","Zhang, Qian; Sun, Zhe; Zhang, Lei; Li, Mengyuan; Zi, Lingjian; Liu, Zongyu; Zhen, Bin; Sun, Wenfang; Liu, Xuguang","Synthesis, Structures, and Properties of BN-Dinaphthothiophenes: Influence of B and N Placement on Photophysical Properties and Aromaticity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00541","","x-ray","0.71073","MoKα","","0.2107","0.1443","","","0.3537","0.4083","","","","","","1.079","","","","has coordinates","252462","2020-10-21","18:00:00",""
"4038435","14.2902","0.0002","15.0604","0.0002","6.8511","0.0001","90","","90","","90","","1474.47","0.04","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Hickey, Shane; Nitschke, Samuel; Sweetman, Martin Jay; Sumby, Christopher J.; Brooks, Douglas A.; Plush, Sally E.; Ashton, Trent D.","Cross-coupling of amide and amide derivatives to umbelliferone nonaflates: synthesis of coumarin derivatives and fluorescent materials.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00813","","x-ray","0.71073","MoKα","","0.0411","0.0373","","","0.0993","0.1021","","","","","","1.043","","","","has coordinates","252463","2020-10-21","18:00:00",""
"4038436","29.0174","0.0013","9.5931","0.0004","32.4315","0.0016","90","","104.701","0.002","90","","8732.3","0.7","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H63 N3 P2 Si8 -","- C27 H63 N3 P2 Si8 -","- C216 H504 N24 P16 Si64 -","8","1","","Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Rölke, Anne-Kristin; Schulz, Axel; Villinger, Alexander; Wustrack, Ronald","Heterocyclopentanediyls vs Heterocyclopentadienes: A Question of Silyl Group Migration.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00460","","","0.71073","MoKα","","0.0873","0.0485","","","0.1061","0.1248","","","","","","1.01","","","","has coordinates","252503","2020-10-21","18:00:00",""
"4038437","15.445","0.003","16.11","0.004","16.603","0.004","90","","90","","90","","4131.1","1.6","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H63 N3 P2 Si8 -","- C23 H63 N3 P2 Si8 -","- C92 H252 N12 P8 Si32 -","4","1","","Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Rölke, Anne-Kristin; Schulz, Axel; Villinger, Alexander; Wustrack, Ronald","Heterocyclopentanediyls vs Heterocyclopentadienes: A Question of Silyl Group Migration.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00460","","","0.71073","MoKα","","0.089","0.0496","","","0.1092","0.1167","","","","","","0.832","","","","has coordinates","252504","2020-10-21","18:00:00",""
"4038438","29.0404","0.0012","9.6147","0.0004","32.3626","0.0014","90","","105.309","0.002","90","","8715.5","0.6","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H65 N3 P2 Si8 -","- C28 H65 N3 P2 Si8 -","- C224 H520 N24 P16 Si64 -","8","1","","Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Rölke, Anne-Kristin; Schulz, Axel; Villinger, Alexander; Wustrack, Ronald","Heterocyclopentanediyls vs Heterocyclopentadienes: A Question of Silyl Group Migration.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00460","","","0.71073","MoKα","","0.0942","0.0455","","","0.0888","0.1068","","","","","","1.027","","","","has coordinates,has disorder","252505","2020-10-21","18:00:00",""
"4038439","8.8871","0.0009","12.8362","0.001","14.9048","0.0014","90","","94.848","0.009","90","","1694.2","0.3","292.9","0.1","292.9","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Zhang, Zhe; Zhang, Bo-Sheng; Li, Kai-Li; An, Yang; Liu, Ce; Gou, Xue-Ya; Liang, Yong-Min","Palladium-Catalyzed Amination/Dearomatization Reaction of Indoles and Benzofurans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00475","","x-ray","0.71073","MoKα","","0.0991","0.0624","","","0.1323","0.1551","","","","","","1.071","","","","has coordinates","252515","2020-10-21","18:00:00",""
"4038440","29.662","0.002","10.9561","0.0008","10.6849","0.0008","90","","96.772","0.008","90","","3448.2","0.4","173","0.1","173","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C168 H160 N16 O24 -","8","1","","Zhang, Zhe; Zhang, Bo-Sheng; Li, Kai-Li; An, Yang; Liu, Ce; Gou, Xue-Ya; Liang, Yong-Min","Palladium-Catalyzed Amination/Dearomatization Reaction of Indoles and Benzofurans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00475","","","0.71073","MoKα","","0.0655","0.0462","","","0.1301","0.1497","","","","","","0.941","","","","has coordinates","252516","2020-10-21","18:00:00",""
"4038441","14.7542","0.0019","6.8673","0.0007","17.936","0.002","90","","105.805","0.012","90","","1748.6","0.4","292.18","0.1","292.18","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O S -","- C21 H20 N2 O S -","- C84 H80 N8 O4 S4 -","4","1","","Zhang, Zhe; Zhang, Bo-Sheng; Li, Kai-Li; An, Yang; Liu, Ce; Gou, Xue-Ya; Liang, Yong-Min","Palladium-Catalyzed Amination/Dearomatization Reaction of Indoles and Benzofurans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00475","","x-ray","0.71073","MoKα","","0.0982","0.0574","","","0.1117","0.1405","","","","","","1.072","","","","has coordinates","252517","2020-10-21","18:00:00",""
"4038442","11.2878","0.0003","16.3406","0.0004","9.9479","0.0003","90","","90.224","0.003","90","","1834.87","0.09","292.8","0.2","292.8","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cl N2 O -","- C22 H21 Cl N2 O -","- C88 H84 Cl4 N8 O4 -","4","1","","Zhang, Zhe; Zhang, Bo-Sheng; Li, Kai-Li; An, Yang; Liu, Ce; Gou, Xue-Ya; Liang, Yong-Min","Palladium-Catalyzed Amination/Dearomatization Reaction of Indoles and Benzofurans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00475","","x-ray","1.54184","CuKα","","0.0538","0.0454","","","0.1135","0.121","","","","","","1.056","","","","has coordinates","252518","2020-10-21","18:00:00",""
"4038443","8.8977","0.0014","9.224","0.002","11.7658","0.0015","86.28","0.013","69.044","0.013","67.987","0.017","833.4","0.3","292.33","0.1","292.33","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C42 H40 N4 O2 -","2","1","","Zhang, Zhe; Zhang, Bo-Sheng; Li, Kai-Li; An, Yang; Liu, Ce; Gou, Xue-Ya; Liang, Yong-Min","Palladium-Catalyzed Amination/Dearomatization Reaction of Indoles and Benzofurans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00475","","x-ray","0.71073","MoKα","","0.0948","0.061","","","0.1432","0.1701","","","","","","1.093","","","","has coordinates","252519","2020-10-21","18:00:00",""
"4038444","10.4686","0.0003","14.9205","0.0004","11.6719","0.0003","90","","111.076","0.001","90","","1701.15","0.08","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cl N O2 -","- C22 H18 Cl N O2 -","- C88 H72 Cl4 N4 O8 -","4","1","","Kushwaha, Narva Deshwar; Kushwaha, Babita; Karpoormath, Rajshekhar V.; Mahlalela, Mavela Cleopus; Shinde, Suraj Raosaheb","One-pot, multicomponent, diastereoselective, green synthesis of 3,4-dihydro-2H-benzo[b][1,4]oxazine analogues.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00463","","x-ray","0.71073","MoKα","","0.0368","0.0324","","","0.0859","0.0897","","","","","","1.042","","","","has coordinates","252520","2020-10-21","18:00:00",""
"4038445","10.4411","0.0002","15.0003","0.0003","11.6037","0.0002","90","","111.566","0.001","90","","1690.14","0.06","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Cl2 N O2 -","- C21 H15 Cl2 N O2 -","- C84 H60 Cl8 N4 O8 -","4","1","","Kushwaha, Narva Deshwar; Kushwaha, Babita; Karpoormath, Rajshekhar V.; Mahlalela, Mavela Cleopus; Shinde, Suraj Raosaheb","One-pot, multicomponent, diastereoselective, green synthesis of 3,4-dihydro-2H-benzo[b][1,4]oxazine analogues.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00463","","x-ray","0.71073","MoKα","","0.0424","0.0308","","","0.0753","0.0799","","","","","","1.026","","","","has coordinates","252521","2020-10-21","18:00:00",""
"4038446","9.5913","0.0001","11.3803","0.0002","17.0706","0.0002","90","","100.599","0.001","90","","1831.5","0.04","149.98","","149.98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Cl N2 O4 -","- C21 H15 Cl N2 O4 -","- C84 H60 Cl4 N8 O16 -","4","1","","Kushwaha, Narva Deshwar; Kushwaha, Babita; Karpoormath, Rajshekhar V.; Mahlalela, Mavela Cleopus; Shinde, Suraj Raosaheb","One-pot, multicomponent, diastereoselective, green synthesis of 3,4-dihydro-2H-benzo[b][1,4]oxazine analogues.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00463","","","0.71073","MoKα","","0.039","0.0339","","","0.0862","0.0905","","","","","","1.027","","","","has coordinates,has disorder","252522","2020-10-21","18:00:00",""
"4038447","10.9679","0.0017","17.281","0.003","14.158","0.003","90","","106.458","0.017","90","","2573.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cl N O4 S2 -","- C28 H24 Cl N O4 S2 -","- C112 H96 Cl4 N4 O16 S8 -","4","1","","Ma, Shanshan; Yu, Aimin; Zhang, Shunguang; Zhang, Lei; Meng, Xiangtai","Construction of [6-5-5-6-6] Pentacyclic Skeleton via Phosphine Catalyzed Domino Reaction and Mechanism Study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00566","","x-ray","0.71073","MoKα","","0.1674","0.0705","","","0.1624","0.2326","","","","","","0.87","","","","has coordinates","252523","2020-10-21","18:00:00",""
"4038448","8.0583","0.0008","10.8415","0.001","14.8495","0.0014","91.482","0.008","91.077","0.008","98.721","0.008","1281.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cl N O4 S2 -","- C28 H24 Cl N O4 S2 -","- C56 H48 Cl2 N2 O8 S4 -","2","1","","Ma, Shanshan; Yu, Aimin; Zhang, Shunguang; Zhang, Lei; Meng, Xiangtai","Construction of [6-5-5-6-6] Pentacyclic Skeleton via Phosphine Catalyzed Domino Reaction and Mechanism Study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00566","","x-ray","0.71073","MoKα","","0.0548","0.0393","","","0.0941","0.1052","","","","","","1.047","","","","has coordinates","252524","2020-10-21","18:00:00",""
"4038449","8.0056","0.0014","11.2427","0.0019","13.774","0.003","88.955","0.015","80.052","0.016","89.787","0.014","1220.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H21 Cl F N O5 S -","- C27 H21 Cl F N O5 S -","- C54 H42 Cl2 F2 N2 O10 S2 -","2","1","","Ma, Shanshan; Yu, Aimin; Zhang, Shunguang; Zhang, Lei; Meng, Xiangtai","Construction of [6-5-5-6-6] Pentacyclic Skeleton via Phosphine Catalyzed Domino Reaction and Mechanism Study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00566","","x-ray","0.71073","MoKα","","0.131","0.0906","","","0.2273","0.2752","","","","","","1.015","","","","has coordinates","252525","2020-10-21","18:00:00",""
"4038450","5.2038","0.0005","19.8216","0.0019","21.82","0.002","90","","94.162","0.007","90","","2244.7","0.4","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O3 S -","- C23 H22 N2 O3 S -","- C92 H88 N8 O12 S4 -","4","1","","Omer, Humair M.; Liu, Peng; Brummond, Kay M.","Metal Free C-C Coupling of an Allenyl Sulfone with Picolyl Amides to Access Vinyl Sulfones via Pyridine-Initiated In-Situ Generation of Sulfinate Anion.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00788","","","1.54178","CuKα","","0.0936","0.06","","","0.1538","0.1772","","","","","","0.982","","","","has coordinates","252549","2020-10-21","18:00:00",""
"4038451","15.9187","0.0005","11.306","0.0004","19.6808","0.0006","90","","107.388","0.002","90","","3380.22","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 O8 S4 -","- C34 H32 O8 S4 -","- C136 H128 O32 S16 -","4","1","","Omer, Humair M.; Liu, Peng; Brummond, Kay M.","Metal Free C-C Coupling of an Allenyl Sulfone with Picolyl Amides to Access Vinyl Sulfones via Pyridine-Initiated In-Situ Generation of Sulfinate Anion.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00788","","","1.54178","CuKα","","0.1031","0.0981","","","0.3149","0.3192","","","","","","3.588","","","","has coordinates,has disorder","252550","2020-10-21","18:00:00",""
"4038452","18.677","0.003","12.7097","0.0016","20.926","0.003","90","","110.411","0.004","90","","4655.5","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H42 Cl3 N3 S2 -","- C53 H42 Cl3 N3 S2 -","- C212 H168 Cl12 N12 S8 -","4","1","","Sulfikarali, Thondikkal; Ajay, Jayaprakash; Suresh, Cherumuttathu H.; Bijina, Padinjare Veetil; Gokulnath, Sabapathi","Synthesis, Structure and Optical Properties of Di-m-benzihexaphyrins (1.1.0.0.0.0) and Di-m-benziheptaphyrins (1.0.1.0.0.0.0): Blackening of m-Phenylene Linked Dicarbaporphyrinoids by Simple p-Expansion.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00754","","","0.71073","MoKα","","0.1441","0.0764","","","0.2006","0.2587","","","","","","1.019","","","","has coordinates,has disorder","252551","2020-10-21","18:00:00",""
"4038453","13.926","0.003","14.889","0.003","18.825","0.003","90","","95.369","0.006","90","","3886.1","1.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H43 N3 O S -","- C49 H43 N3 O S -","- C196 H172 N12 O4 S4 -","4","2","","Sulfikarali, Thondikkal; Ajay, Jayaprakash; Suresh, Cherumuttathu H.; Bijina, Padinjare Veetil; Gokulnath, Sabapathi","Synthesis, Structure and Optical Properties of Di-m-benzihexaphyrins (1.1.0.0.0.0) and Di-m-benziheptaphyrins (1.0.1.0.0.0.0): Blackening of m-Phenylene Linked Dicarbaporphyrinoids by Simple p-Expansion.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00754","","","0.71073","MoKα","","0.1641","0.0765","","","0.1589","0.2029","","","","","","0.997","","","","has coordinates","252552","2020-10-21","18:00:00",""
"4038454","31.575","0.009","4.3839","0.0012","25.202","0.007","90","","110.474","0.005","90","","3268.1","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 Cl N2 O -","- C19 H13 Cl N2 O -","- C152 H104 Cl8 N16 O8 -","8","1","","Zhang, Mengmeng; Lan, Hanyang; Li, Nan; Zhong, Qidi; Zhu, Hao; Liu, Chunyan; Zhao, Hong-Wu","Photocatalyst-Free Singlet Oxygen-Induced Oxygenation: A Strategy for the Preparation of 5-Cyano-2-Pyridones Driven by Blue-Light Irradiation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00963","","","0.71073","MoKα","","0.0981","0.063","","","0.199","0.2276","","","","","","1.07","","","","has coordinates","252553","2020-10-21","18:00:00",""
"4038455","21.705","0.008","18.455","0.006","17.774","0.007","90","","112.216","0.006","90","","6591","4","128.15","","128.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41.5 H41 N2 O2.5 -","- C41.5 H41 N2 O2.5 -","- C332 H328 N16 O20 -","8","2","","Zhang, Mengmeng; Lan, Hanyang; Li, Nan; Zhong, Qidi; Zhu, Hao; Liu, Chunyan; Zhao, Hong-Wu","Photocatalyst-Free Singlet Oxygen-Induced Oxygenation: A Strategy for the Preparation of 5-Cyano-2-Pyridones Driven by Blue-Light Irradiation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00963","","","0.71075","MoKα","","0.0907","0.0647","","","0.1375","0.1531","","","","","","1.138","","","","has coordinates","252554","2020-10-21","18:00:00",""
"4038456","18.6397","0.0007","11.6276","0.0006","20.5913","0.0009","90","","90","","90","","4462.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H14 F6 N2 O3 -","- C24 H14 F6 N2 O3 -","- C192 H112 F48 N16 O24 -","8","1","","Ge, Junying; Ding, Qiuping; Wang, Xinhua; Peng, Yiyuan","Three-Component Cascade Synthesis of Fully-substituted Trifluoromethyl Pyrroles via a Cu(II)/Rh(Ⅲ)-promoted aza-Michael Addition/Trifluoromethylation Cyclization/Oxidation Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03470","","x-ray","0.71073","MoKα","","0.1469","0.1083","","","0.3634","0.3985","","","","","","1.466","","","","has coordinates","252555","2020-10-21","18:00:00",""
"4038457","10.8119","0.0001","27.364","0.0004","23.5338","0.0003","90","","93.109","0.001","90","","6952.39","0.15","153","0.1","153","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C81 H76 Cl2 N4 O4 -","- C81 H76 Cl2 N4 O4 -","- C324 H304 Cl8 N16 O16 -","4","1","","Ruppel, Michael; Gazetas, Lampros-Pascal; Lungerich, Dominik; Hampel, Frank; Jux, Norbert","Investigations of low-symmetrical tetraaryltetrabenzoporphyrins produced by mixed condensation reactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00293","","x-ray","1.54184","CuKα","","0.0812","0.0697","","","0.1942","0.2086","","","","","","1.045","","","","has coordinates,has disorder","252584","2020-10-21","18:00:00",""
"4038458","17.9928","0.0001","15.5983","0.0001","29.9124","0.0003","90","","94.428","0.001","90","","8370.07","0.11","153","0.1","153","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H86 Cl4 N4 O12 -","- C90 H86 Cl4 N4 O12 -","- C360 H344 Cl16 N16 O48 -","4","1","","Ruppel, Michael; Gazetas, Lampros-Pascal; Lungerich, Dominik; Hampel, Frank; Jux, Norbert","Investigations of low-symmetrical tetraaryltetrabenzoporphyrins produced by mixed condensation reactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00293","","x-ray","1.54184","CuKα","","0.0886","0.0805","","","0.2274","0.2381","","","","","","1.027","","","","has coordinates,has disorder","252585","2020-10-21","18:00:00",""
"4038459","11.7009","0.001","13.1974","0.0011","19.6819","0.0017","90","","91.092","0.002","90","","3038.8","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H37 B N9 O4 P W -","- C25 H37 B N9 O4 P W -","- C100 H148 B4 N36 O16 P4 W4 -","4","2","","Wilde, Justin H.; Dickie, Diane A.; Harman, W. Dean","A Highly Divergent Synthesis of 3-Aminotetrahydropyridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00853","","","0.71073","MoKα","","0.0292","0.0231","","","0.0448","0.0467","","","","","","1.021","","","","has coordinates","252651","2020-10-21","18:00:00",""
"4038460","28.8676","0.0012","10.9791","0.0005","18.9515","0.001","90","","120.847","0.0012","90","","5156.8","0.4","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H27 Br N2 O4 S -","- C28 H27 Br N2 O4 S -","- C224 H216 Br8 N16 O32 S8 -","8","1","","Vachan, B. S.; Karuppasamy, Muthu; Jan, Gowsia; Bhuvanesh, Nattamai; Maheswari, C. Uma; Sridharan, Vellaisamy","Direct Access to Bridged Tetrahydroquinolines and Chromanes via an InCl<sub>3</sub>-Catalyzed Sequential Three-Component Cascade.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00893","","","0.71073","MoKα","","0.0692","0.0448","","","0.0988","0.1122","","","","","","1.021","","","","has coordinates,has disorder","252652","2020-10-21","18:00:00",""
"4038461","7.1153","0.0003","14.0361","0.0007","10.9661","0.0005","90","","106.576","0.0013","90","","1049.68","0.08","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Br2 O4 -","- C20 H28 Br2 O4 -","- C40 H56 Br4 O8 -","2","0.5","","Meindl, Birgit; Pfennigbauer, Katharina; Stöger, Berthold; Heeney, Martin J.; Glöcklhofer, Florian","Double Ring-Closing Approach for the Synthesis of 2,3,6,7-Substituted Anthracene Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00826","","x-ray","0.71073","MoKα","","0.0634","0.0286","","","0.0742","0.0908","","","","1.26","1.26","1.26","","","","has coordinates","252653","2020-10-21","18:00:00",""
"4038462","6.3185","0.0003","12.4574","0.0004","13.2815","0.0005","90","","102.049","0.002","90","","1022.38","0.07","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 O6 -","- C22 H30 O6 -","- C44 H60 O12 -","2","0.5","","Meindl, Birgit; Pfennigbauer, Katharina; Stöger, Berthold; Heeney, Martin J.; Glöcklhofer, Florian","Double Ring-Closing Approach for the Synthesis of 2,3,6,7-Substituted Anthracene Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00826","","x-ray","0.71073","MoKα","","0.0519","0.04","","","0.1045","0.1114","","","","1.7","1.7","1.6","","","","has coordinates","252653","2020-10-21","18:00:00",""
"4038463","7.49","0.002","13.833","0.004","18.496","0.005","90","","90","","90","","1916.4","0.9","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H18 N O4 -","- C27 H18 O4 -","- C108 H72 O16 -","4","1","","Kamble, Siddharth B.; Maliekal, Parimal J.; Dharpure, Pankaj D.; Badani, Purav M.; Karnik, Anil V.","Synthesis of Concave and Vaulted 2<i>H</i>-Pyran-Fused BINOLs and Corresponding [5] and [7]-Oxa-helicenoids: Regioselective Cascade-Concerted Route and DFT Studies.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00363","","","0.71073","MoKα","","0.0752","0.048","","","0.1031","0.1174","","","","","","1.018","","","","has coordinates","252951","2020-10-21","18:00:00",""
"4038464","37.052","0.006","37.052","0.006","7.5084","0.0014","90","","90","","120","","8927","3","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H16 O5 -","- C78 H54 O12 -","- C468 H324 O72 -","6","0.333333","","Kamble, Siddharth B.; Maliekal, Parimal J.; Dharpure, Pankaj D.; Badani, Purav M.; Karnik, Anil V.","Synthesis of Concave and Vaulted 2<i>H</i>-Pyran-Fused BINOLs and Corresponding [5] and [7]-Oxa-helicenoids: Regioselective Cascade-Concerted Route and DFT Studies.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00363","","","0.71073","MoKα","","0.1596","0.1231","","","0.4071","0.437","","","","","","1.793","","","","has coordinates","252952","2020-10-21","18:00:00",""
"4038465","8.9661","0.0008","12.1471","0.0009","12.7912","0.0013","91.881","0.007","100.721","0.008","93.595","0.007","1364.7","0.2","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H52 Cl6 N6 S4 Sn -","- C50 H52 Cl6 N6 S4 Sn -","- C50 H52 Cl6 N6 S4 Sn -","1","0.5","","Nagahora, Noriyoshi; Kitahara, Kana; Mizuhata, Yoshiyuki; Tokitoh, Norihiro; Shioji, Kosei; Okuma, Kentaro","Synthesis and Properties of Thiophene-Fused Thiopyrylium Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00364","","","0.71073","MoKα","","0.073","0.0482","","","0.1212","0.1331","","","","","","1.028","","","","has coordinates","252953","2020-10-21","18:00:00",""
"4038466","9.601","0.002","9.516","0.002","12.832","0.003","90","","92.868","0.004","90","","1170.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br N O2 -","- C12 H10 Br N O2 -","- C48 H40 Br4 N4 O8 -","4","1","","Gao, Peng; Chen, Huai-Juan; Bai, Zi-Jing; Zhao, Mi-Na; Yang, Desuo; Wang, Juan; Wang, Ning; Du, Lele; Guan, Zheng-Hui","IBX-Promoted Oxidative Cyclization of N-Hydroxyalkyl Enamines: A Metal-free Approach towards 2,3-Disubstituted Pyrroles and Pyridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00625","","","0.71073","MoKα","","0.071","0.0416","","","0.0919","0.1058","","","","","","1.015","","","","has coordinates","253016","2020-10-21","18:00:00",""
"4038467","12.858","0.003","9.1867","0.0018","18.757","0.004","90","","104.697","0.003","90","","2143.1","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C96 H88 N8 O16 -","8","2","","Gao, Peng; Chen, Huai-Juan; Bai, Zi-Jing; Zhao, Mi-Na; Yang, Desuo; Wang, Juan; Wang, Ning; Du, Lele; Guan, Zheng-Hui","IBX-Promoted Oxidative Cyclization of N-Hydroxyalkyl Enamines: A Metal-free Approach towards 2,3-Disubstituted Pyrroles and Pyridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00625","","","0.71073","MoKα","","0.0577","0.0438","","","0.1123","0.1223","","","","","","1.029","","","","has coordinates","253017","2020-10-21","18:00:00",""
"4038468","6.043","0.002","7.662","0.002","27.127","0.008","90","","90","","90","","1256","0.6","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N O5 S2 -","- C11 H13 N O5 S2 -","- C44 H52 N4 O20 S8 -","4","1","","Furuya, Shohei; Kanemoto, Kazuya; Fukuzawa, Shin-Ichi","Copper-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Imino Esters to Unsaturated Sultones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01023","","","0.71075","MoKα","","0.0675","0.0574","","","0.147","0.1577","","","","","","1.05","","","","has coordinates","253042","2020-10-21","18:00:00",""
"4038469","8.5122","0.0015","9.4305","0.0015","20.019","0.004","90","","90","","90","","1607","0.5","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O5 S2 -","- C16 H15 N O5 S2 -","- C64 H60 N4 O20 S8 -","4","1","","Furuya, Shohei; Kanemoto, Kazuya; Fukuzawa, Shin-Ichi","Copper-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Imino Esters to Unsaturated Sultones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01023","","","0.71075","MoKα","","0.0535","0.0461","","","0.1136","0.1241","","","","","","1.047","","","","has coordinates","253043","2020-10-21","18:00:00",""
"4038470","9.1129","0.0011","11.1539","0.0014","10.0597","0.0012","90","","107.223","0.004","90","","976.7","0.2","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C23 H20 N2 O2 S -","- C23 H20 N2 O2 S -","- C46 H40 N4 O4 S2 -","2","1","","Karjee, Pallab; Sarkar, Tanumay; Kar, Subhradeep; Punniyamurthy, Tharmalingam","Transition-Metal-Free Stereospecific Oxidative Annulative Coupling of Indolines with Aziridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00899","","","0.71073","MoKα","","0.0657","0.0487","","","0.1284","0.1451","","","","","","0.933","","","","has coordinates","253044","2020-10-21","18:00:00",""
"4038471","11.3599","0.0009","8.5436","0.0007","21.1845","0.0016","90","","102.804","0.002","90","","2004.9","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O2 S -","- C23 H20 N2 O2 S -","- C92 H80 N8 O8 S4 -","4","2","","Karjee, Pallab; Sarkar, Tanumay; Kar, Subhradeep; Punniyamurthy, Tharmalingam","Transition-Metal-Free Stereospecific Oxidative Annulative Coupling of Indolines with Aziridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00899","","","0.71073","MoKα","","0.084","0.0586","","","0.144","0.1701","","","","","","0.994","","","","has coordinates","253045","2020-10-21","18:00:00",""
"4038472","5.6728","0.0012","9.823","0.002","17.884","0.004","86.194","0.003","88.953","0.004","75.743","0.003","963.7","0.4","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Br O2 P -","- C22 H20 Br O2 P -","- C44 H40 Br2 O4 P2 -","2","1","","Zhao, Runmin; Huang, Xianhua; Wang, Minning; Hu, Shanshan; Gao, Yuxing; Xu, Pengxiang; Zhao, Yufen","TfOH-Catalyzed Phosphinylation of 2,3-Allenols into γ-Ketophosphine Oxides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00328","","","0.71073","MoKα","","0.0638","0.0576","","","0.149","0.154","","","","","","1.0454","","","","has coordinates","253046","2020-10-21","18:00:00",""
"4038473","27.123","0.004","27.123","0.004","13.041","0.003","90","","90","","90","","9594","3","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C21 H19 Br F6 N2 O4 -","- C21 H19 Br F6 N2 O4 -","- C336 H304 Br16 F96 N32 O64 -","16","1","","Liu, Yi; Wu, Ziqiao; Wang, Yankai; Zhang, Yuheng; Shao, Jie; Lu, Tao; Li, Wenhai","Synthesis of Active Hexafluoroisopropyl Benzoates via Multicomponent Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00476","","","0.71073","MoKα","","0.1161","0.055","","","0.0952","0.116","","","","","","1.002","","","","has coordinates","253065","2020-10-21","18:00:00",""
"4038474","8.938","0.0018","14.128","0.003","14.308","0.003","90","","105.68","0.03","90","","1739.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Br N2 O3 -","- C18 H17 Br N2 O3 -","- C72 H68 Br4 N8 O12 -","4","1","","Liu, Yi; Wu, Ziqiao; Wang, Yankai; Zhang, Yuheng; Shao, Jie; Lu, Tao; Li, Wenhai","Synthesis of Active Hexafluoroisopropyl Benzoates via Multicomponent Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00476","","","0.71073","MoKα","","0.1904","0.0726","","","0.0964","0.121","","","","","","1.004","","","","has coordinates","253066","2020-10-21","18:00:00",""
"4038475","9.362","0.002","29.313","0.007","16.189","0.003","90","","115.546","0.011","90","","4008.4","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Br N4 O3 -","- C19 H11 Br N4 O3 -","- C152 H88 Br8 N32 O24 -","8","2","","Chen, Li-Jun; Yu, Jin-Hang; He, Bin; Xie, Jian-Wu; Liu, Yuan-Xiu; Zhu, Wei-Dong","Umpolung Strategy for the Synthesis of Chiral Dispiro[2-amino-4,5-dihydrofuran-3-carbonitrile]bisoxindoles","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00418","","","0.71073","MoKα","","0.0964","0.0721","","","0.1382","0.1396","","","","","","3.915","","","","has coordinates","253067","2020-10-21","18:00:00",""
"4038476","16.4728","0.0004","9.39367","0.00019","22.5176","0.0005","90","","106.731","0.003","90","","3336.87","0.14","293.1","0.2","293.1","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl N2 O S -","- C17 H17 Cl N2 O S -","- C136 H136 Cl8 N16 O8 S8 -","8","2","","Zheng, Nian; Liu, Ce; Ding, Ya-Nan; Shi, Wei-Yu; Zhang, Bo-Sheng; Liang, Yong-Min","Copper-Catalyzed Three-Component Redox-Neutral Ring Opening of Benzothiazoles to 1-Amino-<i>N</i>-(2-(phenylthio)phenyl)methanimine.","The Journal of organic chemistry","2020","85","12","7666","7673","10.1021/acs.joc.9b03489","","","1.54184","CuKα","","0.055","0.0464","","","0.1201","0.1292","","","","","","1.035","","","","has coordinates","253747","2020-10-21","18:00:00",""
"4038477","7.56093","0.00016","10.6632","0.0002","22.1615","0.0005","90","","91.968","0.002","90","","1785.69","0.06","290.73","0.1","290.73","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 F3 N2 O S -","- C18 H17 F3 N2 O S -","- C72 H68 F12 N8 O4 S4 -","4","1","","Zheng, Nian; Liu, Ce; Ding, Ya-Nan; Shi, Wei-Yu; Zhang, Bo-Sheng; Liang, Yong-Min","Copper-Catalyzed Three-Component Redox-Neutral Ring Opening of Benzothiazoles to 1-Amino-<i>N</i>-(2-(phenylthio)phenyl)methanimine.","The Journal of organic chemistry","2020","85","12","7666","7673","10.1021/acs.joc.9b03489","","x-ray","1.54184","CuKα","","0.046","0.0401","","","0.1036","0.1095","","","","","","1.058","","","","has coordinates","253747","2020-10-21","18:00:00",""
"4038478","17.7949","0.0005","11.2697","0.0003","10.0677","0.0003","90","","104.349","0.003","90","","1956.02","0.1","293.1","0.2","293.1","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O2 S -","- C21 H24 N2 O2 S -","- C84 H96 N8 O8 S4 -","4","1","","Zheng, Nian; Liu, Ce; Ding, Ya-Nan; Shi, Wei-Yu; Zhang, Bo-Sheng; Liang, Yong-Min","Copper-Catalyzed Three-Component Redox-Neutral Ring Opening of Benzothiazoles to 1-Amino-<i>N</i>-(2-(phenylthio)phenyl)methanimine.","The Journal of organic chemistry","2020","85","12","7666","7673","10.1021/acs.joc.9b03489","","","1.54184","CuKα","","0.077","0.0686","","","0.1982","0.2127","","","","","","1.063","","","","has coordinates,has disorder","253747","2020-10-21","18:00:00",""
"4038479","10.5278","0.0006","12.1806","0.0006","11.4454","0.0006","90","","99.627","0.002","90","","1447.03","0.13","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","","Neal, Taylor A.; Eippert, Allyson B.; Chivington, Austin; Jamison, Andrew; Chukwuma, Chukwunalu; Moore, Curtis E.; Neal, Jennifer F.; Allen, Heather C.; Wysocki, Laura M.; Paul, Noel Michael; Badjic, Jovica D.","One-Pot Aldol Cascade for the Preparation of Isospiropyrans, Flavylium Salts and bis-Spiropyrans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00825","","x-ray","0.71073","MoKα","","0.0918","0.0457","","","0.1092","0.1402","","","","","","1.066","","","","has coordinates","253104","2020-10-21","18:00:00",""
"4038480","11.0228","0.0006","9.1224","0.0006","22.8268","0.0014","90","","95.723","0.002","90","","2283.9","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Br3 N O3 -","- C26 H18 Br3 N O3 -","- C104 H72 Br12 N4 O12 -","4","1","","Neal, Taylor A.; Eippert, Allyson B.; Chivington, Austin; Jamison, Andrew; Chukwuma, Chukwunalu; Moore, Curtis E.; Neal, Jennifer F.; Allen, Heather C.; Wysocki, Laura M.; Paul, Noel Michael; Badjic, Jovica D.","One-Pot Aldol Cascade for the Preparation of Isospiropyrans, Flavylium Salts and bis-Spiropyrans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00825","","x-ray","0.71073","MoKα","","0.0548","0.0394","","","0.0856","0.0907","","","","","","1.07","","","","has coordinates","253105","2020-10-21","18:00:00",""
"4038481","5.9006","0.0003","15.9293","0.0009","14.4042","0.0009","90","","101.031","0.002","90","","1328.87","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl O4 -","- C16 H13 Cl O4 -","- C64 H52 Cl4 O16 -","4","1","","Neal, Taylor A.; Eippert, Allyson B.; Chivington, Austin; Jamison, Andrew; Chukwuma, Chukwunalu; Moore, Curtis E.; Neal, Jennifer F.; Allen, Heather C.; Wysocki, Laura M.; Paul, Noel Michael; Badjic, Jovica D.","One-Pot Aldol Cascade for the Preparation of Isospiropyrans, Flavylium Salts and bis-Spiropyrans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00825","","x-ray","0.71073","MoKα","","0.045","0.0323","","","0.0724","0.0809","","","","","","1.044","","","","has coordinates","253106","2020-10-21","18:00:00",""
"4038482","9.1565","0.0003","14.1329","0.0005","12.2218","0.0004","90","","106.165","0.002","90","","1519.07","0.09","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Cl O5 -","- C17 H17 Cl O5 -","- C68 H68 Cl4 O20 -","4","1","","Neal, Taylor A.; Eippert, Allyson B.; Chivington, Austin; Jamison, Andrew; Chukwuma, Chukwunalu; Moore, Curtis E.; Neal, Jennifer F.; Allen, Heather C.; Wysocki, Laura M.; Paul, Noel Michael; Badjic, Jovica D.","One-Pot Aldol Cascade for the Preparation of Isospiropyrans, Flavylium Salts and bis-Spiropyrans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00825","","x-ray","0.71073","MoKα","","0.0511","0.0367","","","0.0972","0.1043","","","","","","1.046","","","","has coordinates","253107","2020-10-21","18:00:00",""
"4038483","10.783","0.0002","9.095","0.0002","22.4992","0.0004","90","","96.644","0.001","90","","2191.71","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cl3 N O3 -","- C26 H18 Cl3 N O3 -","- C104 H72 Cl12 N4 O12 -","4","1","","Neal, Taylor A.; Eippert, Allyson B.; Chivington, Austin; Jamison, Andrew; Chukwuma, Chukwunalu; Moore, Curtis E.; Neal, Jennifer F.; Allen, Heather C.; Wysocki, Laura M.; Paul, Noel Michael; Badjic, Jovica D.","One-Pot Aldol Cascade for the Preparation of Isospiropyrans, Flavylium Salts and bis-Spiropyrans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00825","","x-ray","1.54178","CuKα","","0.0386","0.0359","","","0.0923","0.0946","","","","","","1.053","","","","has coordinates","253108","2020-10-21","18:00:00",""
"4038484","8.6843","0.0006","8.6843","0.0006","32.226","0.003","90","","90","","120","","2104.8","0.3","200","2","199.99","","","","","","","","","3","P 61","P 61","169","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C102 H108 O18 -","6","1","","Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili","Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00146","","","0.71073","MoKα","","0.0764","0.0507","","","0.0984","0.1073","","","","","","1.087","","","","has coordinates","253109","2020-10-21","18:00:00",""
"4038485","7.5228","0.0008","8.6162","0.0009","12.1657","0.0012","73.415","0.004","83.009","0.004","72.76","0.004","721.2","0.13","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 F O3 -","- C17 H17 F O3 -","- C34 H34 F2 O6 -","2","1","","Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili","Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00146","","","0.71073","MoKα","","0.0622","0.0451","","","0.0969","0.1055","","","","","","1.076","","","","has coordinates","253109","2020-10-21","18:00:00",""
"4038486","9.2435","0.0012","11.0703","0.0013","15.3163","0.0017","90","","102.368","0.004","90","","1530.9","0.3","180","2","180","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Br O3 -","- C17 H17 Br O3 -","- C68 H68 Br4 O12 -","4","1","","Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili","Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00146","","","0.71073","MoKα","","0.0615","0.0379","","","0.0676","0.074","","","","","","1.031","","","","has coordinates","253109","2020-10-21","18:00:00",""
"4038487","8.8967","0.0009","11.4613","0.001","30.389","0.003","90","","90","","90","","3098.7","0.5","190","2","190","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C36 H40 O8 -","- C36 H40 O8 -","- C144 H160 O32 -","4","1","","Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili","Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00146","","","0.71073","MoKα","","0.114","0.0525","","","0.1232","0.1581","","","","","","0.912","","","","has coordinates","253109","2020-10-21","18:00:00",""
"4038488","12.6268","0.0011","13.5454","0.0014","12.6269","0.0011","90","","99.11","","90","","2132.4","0.3","200","2","199.98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N O4 S -","- C24 H26 N O4 S -","- C96 H104 N4 O16 S4 -","4","1","","Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili","Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00146","","","0.71073","MoKα","","0.0911","0.0532","","","0.1261","0.1473","","","","","","1.034","","","","has coordinates","253109","2020-10-21","18:00:00",""
"4038489","10.274","0.004","10.309","0.003","14.243","0.005","90","","94.557","0.012","90","","1503.8","0.9","298","2","298.01","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C72 H80 O12 -","4","1","","Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili","Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00146","","","0.71073","MoKα","","0.0862","0.0547","","","0.139","0.1634","","","","","","1.024","","","","has coordinates","253109","2020-10-21","18:00:00",""
"4038490","27.088","0.004","8.3022","0.0011","11.4695","0.0016","90","","96.808","0.002","90","","2561.2","0.6","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 Br N O4 S -","- C29 H28 Br N O4 S -","- C116 H112 Br4 N4 O16 S4 -","4","1","","Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili","Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00146","","","0.71073","MoKα","","0.0589","0.0498","","","0.1193","0.1258","","","","","","1.002","","","","has coordinates","253109","2020-10-21","18:00:00",""
"4038491","12.6219","0.0011","16.3765","0.0013","16.6547","0.0014","90","","100.607","0.004","90","","3383.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 N2 O6 -","- C38 H32 N2 O6 -","- C152 H128 N8 O24 -","4","1","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Makhseed, Saad","Multivalent Allyl-Substituted Macrocycles as Non-Aggregating Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00859","","","1.54178","CuKα","","0.114","0.0825","","","0.1806","0.2071","","","","","","1.132","","","","has coordinates,has disorder","253110","2020-10-21","18:00:00",""
"4038492","12.8844","0.0013","13.9073","0.0013","20.6328","0.0019","98.862","0.007","106.525","0.007","94.899","0.007","3469.4","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C152 H128 N8 O24 Zn -","- C152 H128 N8 O24 Zn -","- C152 H128 N8 O24 Zn -","1","0.5","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Makhseed, Saad","Multivalent Allyl-Substituted Macrocycles as Non-Aggregating Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00859","","","0.71075","MoKα","","0.1869","0.138","","","0.384","0.42","","","","","","1.446","","","","has coordinates","253111","2020-10-21","18:00:00",""
"4038493","23.94","0.011","28.05","0.013","23.991","0.011","90","","119.85","0.008","90","","13973","11","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C147 H132 N16 O27 Zn -","- C147 H132 N16 O27 Zn -","- C588 H528 N64 O108 Zn4 -","4","1","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Makhseed, Saad","Multivalent Allyl-Substituted Macrocycles as Non-Aggregating Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00859","","","0.71075","MoKα","","0.1687","0.1287","","","0.3375","0.3647","","","","","","1.259","","","","has coordinates,has disorder","253112","2020-10-21","18:00:00",""
"4038494","12.8709","0.0004","15.6947","0.0004","16.5272","0.0005","90","","92.507","0.002","90","","3335.38","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 N4 O6 -","- C36 H30 N4 O6 -","- C144 H120 N16 O24 -","4","1","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Makhseed, Saad","Multivalent Allyl-Substituted Macrocycles as Non-Aggregating Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00859","","","1.54178","CuKα","","0.1505","0.0713","","","0.1979","0.2596","","","","","","0.997","","","","has coordinates","253113","2020-10-21","18:00:00",""
"4038495","13.4848","0.0008","13.8175","0.0009","14.4535","0.001","74.959","0.006","88.351","0.005","65.812","0.006","2363.3","0.3","130","2","130","2","","","","","","","","3","P 1","P 1","1","","","","- C54 H78 O8 -","- C54 H78 O8 -","- C108 H156 O16 -","2","2","","Vargas-Romero, Katherine; Martínez-Torres, Fátima C; Aguilar-Granda, Andrés; Pérez-Estrada, Salvador; Flores-Alamo, Marcos; Rodríguez-Molina, Braulio; Iglesias-Arteaga, Martín A","Synthesis and Solid-State Dynamics of a Crystalline Steroid Molecular Rotor without the Alkyne Axle: Steroid Dimers Based on a 1,4-Di(1,3-dioxan-2-yl)benzene Moiety.","The Journal of organic chemistry","2020","85","13","8501","8509","10.1021/acs.joc.0c00867","","","1.54184","CuKα","","0.092","0.0595","","","0.121","0.1445","","","","","","1.065","","","","has coordinates","253732","2020-10-21","18:00:00",""
"4038496","13.7565","0.0007","10.3255","0.0006","16.8608","0.0007","90","","100.716","0.004","90","","2353.2","0.2","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C54 H78 O8 -","- C54 H78 O8 -","- C108 H156 O16 -","2","1","","Vargas-Romero, Katherine; Martínez-Torres, Fátima C; Aguilar-Granda, Andrés; Pérez-Estrada, Salvador; Flores-Alamo, Marcos; Rodríguez-Molina, Braulio; Iglesias-Arteaga, Martín A","Synthesis and Solid-State Dynamics of a Crystalline Steroid Molecular Rotor without the Alkyne Axle: Steroid Dimers Based on a 1,4-Di(1,3-dioxan-2-yl)benzene Moiety.","The Journal of organic chemistry","2020","85","13","8501","8509","10.1021/acs.joc.0c00867","","","1.54184","CuKα","","0.0869","0.0563","","","0.1199","0.1397","","","","","","1.04","","","","has coordinates","253732","2020-10-21","18:00:00",""
"4038497","8.5683","0.001","10.3368","0.0012","11.1001","0.0013","78.658","0.002","75.05","0.002","77.369","0.002","916.54","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N4 O6 -","- C17 H18 N4 O6 -","- C34 H36 N8 O12 -","2","1","","Brahmachari, Goutam; Nayek, Nayana; Karmakar, Indrajit; Nurjamal, Khondekar; Chandra, Swapan K.; Bhowmick, Anindita","A Series of Functionalized 5-(2-Arylimidazo[1,2-a]pyridin-3-yl)pyrimidine-2,4(1H,3H)-diones: A Water-Mediated Three-Component Catalyst-Free Protocol Revisited.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00732","","","0.71073","MoKα","","0.0967","0.0633","","","0.1627","0.2035","","","","","","1.004","","","","has coordinates","253183","2020-10-21","18:00:00",""
"4038498","16.5939","0.0006","13.739","0.0006","10.851","0.0004","90","","99.769","0.003","90","","2437.98","0.17","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 F6 N2 O -","- C29 H18 F6 N2 O -","- C116 H72 F24 N8 O4 -","4","1","","Zhu, Lifan; Guo, Hongyu; Feng, Xiujuan; Yamamoto, Yoshinori; Bao, Ming","Copper-Catalyzed One-Pot Synthesis of 1,3-Enynes from 2-Chloro-<i>N</i>-(quinolin-8-yl)acetamides and Terminal Alkynes.","The Journal of organic chemistry","2020","85","13","8740","8748","10.1021/acs.joc.0c01102","","","0.71073","MoKα","","0.1223","0.0667","","","0.1783","0.217","","","","","","1.059","","","","has coordinates","253738","2020-10-21","18:00:00",""
"4038499","11.0046","0.0004","11.4721","0.0004","15.6538","0.0004","90","","90","","90","","1976.23","0.11","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br O4 S -","- C22 H19 Br O4 S -","- C88 H76 Br4 O16 S4 -","4","1","","Formánek, Bedřich; Tauchman, Jiří; Císařová, Ivana; Veselý, Jan","Access to Spirocyclic Benzothiophenones with Multiple Stereocenters via an Organocatalytic Cascade Reaction.","The Journal of organic chemistry","2020","85","13","8510","8521","10.1021/acs.joc.0c00882","","","0.71073","MoKα","","0.0197","0.0182","","","0.0439","0.0445","","","","","","1.084","","","","has coordinates","253739","2020-10-21","18:00:00",""
"4038500","15.3318","0.0008","5.8627","0.0003","11.9302","0.0007","90","","104.921","0.006","90","","1036.2","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cl O2 -","- C13 H9 Cl O2 -","- C52 H36 Cl4 O8 -","4","1","","Tong, Zhou; Tang, Zhi; Au, Chak-Tong; Qiu, Renhua","Nickel-Catalyzed Decarbonyloxidation of 3-Aryl Benzofuran-2(<i>3H</i>)-ones to 2-Hydroxybenzophenones.","The Journal of organic chemistry","2020","85","13","8533","8543","10.1021/acs.joc.0c00858","","x-ray","0.71073","MoKα","","0.0407","0.0343","","","0.0824","0.0871","","","","","","1.067","","","","has coordinates","253737","2020-10-21","18:00:00",""
"4038501","7.022","0.0011","11.2016","0.0017","15.789","0.002","90","","99.001","0.014","90","","1226.6","0.3","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C1.714 H1.486 N0.343 -","- C1.71429 H1.48571 N0.342857 -","- C60 H52 N12 -","35","8.75","","Kumar, Neha; Agrawal, Abhijeet R.; Choudhury, Aditya; Zade, Sanjio S.","The Effect of Base and Nucleophile on the Nucleophilic Substitution of Methoxytropone Derivatives: An Easy Access to 4- and 5-Substituted Multifunctional Azulenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00951","","x-ray","1.54184","CuKα","","0.1379","0.0821","","","0.1705","0.1987","","","","","","1.1139","","","","has coordinates","253256","2020-10-21","18:00:00",""
"4038502","23.9762","0.0003","11.8933","0.0002","22.7987","0.0003","90","","93.283","0.001","90","","6490.52","0.16","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 N3 -","- C22 H13 N3 -","- C352 H208 N48 -","16","4","","Kumar, Neha; Agrawal, Abhijeet R.; Choudhury, Aditya; Zade, Sanjio S.","The Effect of Base and Nucleophile on the Nucleophilic Substitution of Methoxytropone Derivatives: An Easy Access to 4- and 5-Substituted Multifunctional Azulenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00951","","x-ray","1.54184","CuKα","","0.0569","0.0536","","","0.1351","0.137","","","","","","1.145","","","","has coordinates","253256","2020-10-21","18:00:00",""
"4038503","9.5001","0.0003","10.163","0.0003","15.8945","0.0006","101.392","0.003","102.647","0.003","100.795","0.003","1424.6","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 N O -","- C12.6667 H10.6667 N0.666667 -","- C76 H64 N4 -","6","3","","Tambe, Shrikant D.; Min, Kwan Hong; Iqbal, Naeem; Cho, Eun Jin","Distinctive reactivity of <i>N</i>-benzylidene-[1,1'-biphenyl]-2-amines under photoredox conditions.","Beilstein journal of organic chemistry","2020","16","","1335","1342","10.3762/bjoc.16.114","","x-ray","1.54184","CuKα","","0.0726","0.065","","","0.1917","0.2008","","","","","","1.081","","","","has coordinates","254025","2020-10-21","18:00:00",""
"4038504","8.2539","0.0005","9.845","0.0006","10.1665","0.0006","85.666","0.005","76.94","0.005","82.44","0.005","796.86","0.09","108.45","0.1","108.45","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 S2 -","- C17 H18 N2 S2 -","- C34 H36 N4 S4 -","2","1","","Qi, Peng; Sun, Fang; Chen, Ning; Du, Hongguang","Cross-Dehydrogenative Coupling of Azoarenes with Dialkyl Disulfides.","The Journal of organic chemistry","2020","85","13","8588","8596","10.1021/acs.joc.0c00953","","x-ray","0.71073","MoKα","","0.0379","0.0333","","","0.0792","0.0824","","","","","","1.034","","","","has coordinates","253745","2020-10-21","18:00:00",""
"4038505","8.4889","0.0005","23.1788","0.0013","10.7372","0.0006","90","","108.396","0.007","90","","2004.7","0.2","237","190","237","190","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O6 S -","- C20 H21 N O6 S -","- C80 H84 N4 O24 S4 -","4","1","","Ghosh, Koushik; Ghosh, Arghadip; Mukherjee, Kallol; Rit, Raja K.; Sahoo, Akhila K.","Sulfoximine-Assisted Unsymmetrical Twofold C-H Functionalization of Arenes.","The Journal of organic chemistry","2020","85","13","8618","8626","10.1021/acs.joc.0c01010","","x-ray","0.71073","MoKα","","0.0873","0.0534","","","0.1224","0.1419","","","","","","1.04","","","","has coordinates","253733","2020-10-21","18:00:00",""
"4038506","8.8161","0.0004","9.5583","0.0005","9.7852","0.0004","70.157","0.002","73.487","0.002","68.453","0.002","709.31","0.06","298","2","298.51","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C36 H30 N2 O6 -","2","1","","Ghosh, Koushik; Ghosh, Arghadip; Mukherjee, Kallol; Rit, Raja K.; Sahoo, Akhila K.","Sulfoximine-Assisted Unsymmetrical Twofold C-H Functionalization of Arenes.","The Journal of organic chemistry","2020","85","13","8618","8626","10.1021/acs.joc.0c01010","","","0.71073","MoKα","","0.0443","0.0406","","","0.111","0.114","","","","","","1.04","","","","has coordinates","253733","2020-10-21","18:00:00",""
"4038507","8.6117","0.0006","13.1472","0.0007","16.255","0.0013","90","","95.684","0.007","90","","1831.3","0.2","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 F3 N2 O5 -","- C18 H17 F3 N2 O5 -","- C72 H68 F12 N8 O20 -","4","1","","Fang, Zheng; Yin, Hongshan; Lin, Lu; Wen, Shunli; Xie, Lili; Huang, Yangjie; Weng, Zhiqiang","Collaborative Activation of Trifluoroacetyl Diazoester by a Lewis Acid and Base for the Synthesis of Polysubstituted 4-Trifluoromethylpyrazoles.","The Journal of organic chemistry","2020","85","13","8714","8722","10.1021/acs.joc.0c00737","","x-ray","1.54184","CuKα","","0.0761","0.0509","","","0.1277","0.1461","","","","","","1.078","","","","has coordinates,has disorder","253734","2020-10-21","18:00:00",""
"4038508","7.2414","0.0008","8.1329","0.0008","18.752","0.003","90","","90","","90","","1104.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 Cl O2 -","- C12 H13 Cl O2 -","- C48 H52 Cl4 O8 -","4","1","","Gao, Shenghua; Gao, Xuezhi; Wu, Zenong; Li, Houyong; Yang, Zhezhou; Zhang, Fuli","Process for (<i>S</i>)-Ketamine and (<i>S</i>)-Norketamine via Resolution Combined with Racemization.","The Journal of organic chemistry","2020","85","13","8656","8664","10.1021/acs.joc.0c01090","","","0.71073","MoKα","","0.0306","0.0279","","","0.0673","0.0692","","","","","","1.047","","","","has coordinates","253731","2020-10-21","18:00:00",""
"4038509","8.5612","0.0003","7.1443","0.0002","11.337","0.0003","90","","101.245","0.001","90","","680.1","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H17 Cl2 N O -","- C13 H17 Cl2 N O -","- C26 H34 Cl4 N2 O2 -","2","1","","Gao, Shenghua; Gao, Xuezhi; Wu, Zenong; Li, Houyong; Yang, Zhezhou; Zhang, Fuli","Process for (<i>S</i>)-Ketamine and (<i>S</i>)-Norketamine via Resolution Combined with Racemization.","The Journal of organic chemistry","2020","85","13","8656","8664","10.1021/acs.joc.0c01090","","","0.71073","MoKα","","0.0285","0.0279","","","0.0709","0.0714","","","","","","1.049","","","","has coordinates","253731","2020-10-21","18:00:00",""
"4038510","18.1713","0.0007","13.699","0.0005","8.3562","0.0003","90","","97.785","0.002","90","","2060.93","0.13","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 B F7 N3 -","- C21 H17 B F7 N3 -","- C84 H68 B4 F28 N12 -","4","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.0936","0.0652","","","0.1718","0.2038","","","","","","1.037","","","","has coordinates","253735","2020-10-21","18:00:00",""
"4038511","9.656","0.002","14.574","0.004","17.635","0.004","90","","90","","90","","2481.7","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 B Br2 F2 N3 -","- C24 H26 B Br2 F2 N3 -","- C96 H104 B4 Br8 F8 N12 -","4","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.0805","0.0458","","","0.1017","0.1172","","","","","","1.027","","","","has coordinates","253735","2020-10-21","18:00:00",""
"4038512","12.489","0.003","11.29","0.002","18.975","0.004","90","","104.119","0.003","90","","2594.7","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 B Br3 F2 N3 -","- C24 H25 B Br3 F2 N3 -","- C96 H100 B4 Br12 F8 N12 -","4","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.1231","0.0703","","","0.1628","0.1877","","","","","","1.039","","","","has coordinates,has disorder","253735","2020-10-21","18:00:00",""
"4038513","10.9684","0.0018","17.472","0.003","18.559","0.003","114.162","0.002","102.168","0.002","93.667","0.002","3126.8","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H68 B3 F6 N9 -","- C66 H68 B3 F6 N9 -","- C132 H136 B6 F12 N18 -","2","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.2102","0.0795","","","0.2757","0.3127","","","","","","1.298","","","","has coordinates","253735","2020-10-21","18:00:00",""
"4038514","8.7637","0.0003","17.0551","0.0007","20.6021","0.0009","90","","90","","90","","3079.3","0.2","298.15","","298.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 B Br2 Cl F2 N3 -","- C30 H29 B Br2 Cl F2 N3 -","- C120 H116 B4 Br8 Cl4 F8 N12 -","4","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.0815","0.0574","","","0.1435","0.1622","","","","","","1.051","","","","has coordinates,has disorder","253735","2020-10-21","18:00:00",""
"4038515","16.8071","0.0011","19.0449","0.0014","16.4613","0.0011","90","","98.752","0.002","90","","5207.7","0.6","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 B F2 N3 -","- C30 H30 B F2 N3 -","- C240 H240 B8 F16 N24 -","8","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.0886","0.0735","","","0.18","0.2009","","","","","","1.037","","","","has coordinates","253735","2020-10-21","18:00:00",""
"4038516","9.7883","0.0009","26.2735","0.0014","10.597","0.0008","90","","112.636","0.009","90","","2515.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 Cl N O4 -","- C31 H24 Cl N O4 -","- C124 H96 Cl4 N4 O16 -","4","1","","Zimnitskiy, Nikolay S.; Denikaev, Andrey D.; Barkov, Alexey Y.; Kutyashev, Igor B.; Korotaev, Vladislav Y.; Sosnovskikh, Vyacheslav Y.","Catalyst-free Tandem 1,3-Dipolar Cycloaddition/Aldol Condensation: Diastereoselective Construction of the Azatetraquinane Skeleton.","The Journal of organic chemistry","2020","85","13","8683","8694","10.1021/acs.joc.0c01127","","","0.71073","MoKα","","0.1451","0.0797","","","0.2158","0.2839","","","","","","1.044","","","","has coordinates,has disorder","253742","2020-10-21","18:00:00",""
"4038517","8.8912","0.0005","11.9339","0.0006","12.6741","0.0007","85.22","0.002","74.19","0.002","80.966","0.002","1276.72","0.12","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H38 N2 O2 Si -","- C27 H38 N2 O2 Si -","- C54 H76 N4 O4 Si2 -","2","1","","Pati, Tanmay K.; Ajarul, Sk; Kundu, Mrinalkanti; Tayde, Deepak; Khamrai, Uttam; Maiti, Dilip K.","Synthesis of Functionalized Arylacetamido-2-pyridones through <i>ortho</i>-C(sp<sup>2</sup>)-H-Activated Installation of Olefins and Alkynes.","The Journal of organic chemistry","2020","85","13","8563","8579","10.1021/acs.joc.0c00941","","","1.54178","CuKα","","0.0511","0.0489","","","0.1231","0.1249","","","","","","1.054","","","","has coordinates","253740","2020-10-21","18:00:00",""
"4038518","8.2882","0.0013","11.6286","0.0017","19.897","0.003","90","","100.909","0.004","90","","1883","0.5","113","2","113","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 -","- C27 H22 -","- C108 H88 -","4","1","","Nishida, Masaki; Lee, Donghyeon; Shintani, Ryo","Intermolecular Three-Component Synthesis of Fluorene Derivatives by a Rhodium-Catalyzed Stitching Reaction/Remote Nucleophilic Substitution Sequence.","The Journal of organic chemistry","2020","85","13","8489","8500","10.1021/acs.joc.0c00790","","","0.71075","MoKα","","0.076","0.0471","","","0.1228","0.1487","","","","","","0.851","","","","has coordinates","253741","2020-10-21","18:00:00",""
"4038519","21.532","0.002","8.0393","0.0007","29.212","0.003","90","","99.5823","0.0015","90","","4986.1","0.8","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H27 Cl N2 O2 -","- C31 H27 Cl N2 O2 -","- C248 H216 Cl8 N16 O16 -","8","1","","Tejeneki, Hossein Zahedian; Nikbakht, Ali; Balalaie, Saeed; Rominger, Frank","Regio- and Diastereoselective Indium-Catalyzed Conia-Ene Reaction of <i>ortho</i>-Alkynyl Diketopiperazines to Access Fused Diketopiperazinoindolines.","The Journal of organic chemistry","2020","85","13","8544","8552","10.1021/acs.joc.0c00895","","","0.71073","MoKα","","0.0965","0.0524","","","0.1013","0.1185","","","","","","1.014","","","","has coordinates","253743","2020-10-21","18:00:00",""
"4038520","15.5188","0.001","21.4989","0.0013","7.5658","0.0005","90","","90","","90","","2524.2","0.3","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 Br N2 O2 -","- C31 H27 Br N2 O2 -","- C124 H108 Br4 N8 O8 -","4","1","","Tejeneki, Hossein Zahedian; Nikbakht, Ali; Balalaie, Saeed; Rominger, Frank","Regio- and Diastereoselective Indium-Catalyzed Conia-Ene Reaction of <i>ortho</i>-Alkynyl Diketopiperazines to Access Fused Diketopiperazinoindolines.","The Journal of organic chemistry","2020","85","13","8544","8552","10.1021/acs.joc.0c00895","","","1.54178","CuKα","","0.1195","0.0583","","","0.1227","0.1477","","","","","","0.991","","","","has coordinates,has disorder","253743","2020-10-21","18:00:00",""
"4038521","13.718","0.0018","8.7102","0.0009","25.568","0.003","90","","95.537","0.011","90","","3040.8","0.6","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C17 H16 O6 -","- C17 H16 O6 -","- C136 H128 O48 -","8","1","","Wang, Yu-Jiao; Wang, Tong-Tong; Yao, Lan; Wang, Qian-Long; Zhao, Li-Ming","Access to 4-Alkenylated Coumarins via Ruthenium-Catalyzed Olefinic C-H Alkenylation of Coumarins with Modifiable and Removable Directing Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00249","","x-ray","0.71073","MoKα","","0.1072","0.0606","","","0.1252","0.1532","","","","","","1.013","","","","has coordinates","253425","2020-10-21","18:00:00",""
"4038522","5.258","0.004","8.81","0.006","12.257","0.009","99.991","0.009","98.639","0.008","95.953","0.008","547.9","0.7","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H11 N3 S2 -","- C10 H11 N3 S2 -","- C20 H22 N6 S4 -","2","1","","Kang, Gui-Feng; Zhang, Gang","One-pot synthesis of 1,3,5-triazine-2,4-dithione derivatives via three-component reactions","Beilstein Journal of Organic Chemistry","2020","16","","1447","1455","10.3762/bjoc.16.120","","","0.71073","MoKα","","0.0951","0.0898","","","0.2374","0.2394","","","","","","1.181","","","","has coordinates","258196","2020-10-21","18:00:00",""
"4038523","23.264","0.005","18.39","0.004","17.423","0.004","90","","127.66","0.03","90","","5901","3","110","2","110","2","","","","","","","","4","C 1 c 1","C -2yc","9","ro24_sq","","","- C52 H56 N16 O8 -","- C52 H56 N16 O8 -","- C208 H224 N64 O32 -","4","1","","Mohite, Amar Ramchandra; Reany, Ofer","Inherently Chiral Bambus[4]urils.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01174","","","0.71073","MoKα","","0.1077","0.0854","","","0.231","0.2551","","","","","","1.053","","","","has coordinates,has disorder","253452","2020-10-21","18:00:00",""
"4038524","5.41","0.0011","12.802","0.003","22.803","0.005","90","","90","","90","","1579.3","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Xiong, Cheng; Cheng, Kunpeng; Wang, Jiahua; Yang, Fulai; Lu, Jinrong; Zhou, Qingfa","Iodine-Catalyzed Aerobic Oxidation of Spirovinylcyclopropyl Oxindoles to Form Spiro-1,2-dioxolanes Diastereoselectively.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00652","","","0.71073","MoKα","","0.3239","0.0885","","","0.1791","0.267","","","","","","1.012","","","","has coordinates","253453","2020-10-21","18:00:00",""
"4038525","8.694","0.0006","20.9333","0.0014","9.0103","0.0008","90","","106.693","0.008","90","","1570.7","0.2","100","3","100","3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 I3 O3 -","- C13 H9 I3 O3 -","- C52 H36 I12 O12 -","4","1","","Danilkina, Natalia A.; D'yachenko, Alexander; Govdi, Anastasia I.; Khlebnikov, Alexander F.; Kornyakov, Ilya; Bräse, Stefan; Balova, Irina A.","Intramolecular Nicholas Reactions in the Synthesis of Heteroenediynes fused to Indole, Triazole and Isocoumarin.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00930","","","1.54184","CuKα","","0.045","0.0408","","","0.1165","0.1196","","","","","","1.093","","","","has coordinates","253454","2020-10-21","18:00:00",""
"4038526","8.2618","0.0003","43.8957","0.0017","4.20886","0.00017","90","","90","","90","","1526.37","0.1","100","3","100","3","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H16 I N O3 -","- C16 H16 I N O3 -","- C64 H64 I4 N4 O12 -","4","1","","Danilkina, Natalia A.; D'yachenko, Alexander; Govdi, Anastasia I.; Khlebnikov, Alexander F.; Kornyakov, Ilya; Bräse, Stefan; Balova, Irina A.","Intramolecular Nicholas Reactions in the Synthesis of Heteroenediynes fused to Indole, Triazole and Isocoumarin.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00930","","x-ray","1.54184","CuKα","","0.0718","0.066","","","0.1788","0.1819","","","","","","1.138","","","","has coordinates","253455","2020-10-21","18:00:00",""
"4038527","7.2353","0.0003","9.1711","0.0003","12.0759","0.0003","97.581","0.002","106.756","0.003","103.036","0.003","730.66","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 I N3 O2 -","- C14 H14 I N3 O2 -","- C28 H28 I2 N6 O4 -","2","1","","Danilkina, Natalia A.; D'yachenko, Alexander; Govdi, Anastasia I.; Khlebnikov, Alexander F.; Kornyakov, Ilya; Bräse, Stefan; Balova, Irina A.","Intramolecular Nicholas Reactions in the Synthesis of Heteroenediynes fused to Indole, Triazole and Isocoumarin.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00930","","","0.71073","MoKα","","0.0192","0.0175","","","0.0402","0.041","","","","","","1.058","","","","has coordinates","253456","2020-10-21","18:00:00",""
"4038528","13.17979","0.00014","13.5664","0.00015","13.59048","0.00012","105.804","0.0009","105.681","0.0009","105.509","0.001","2093.08","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H10 Co2 O9 -","- C22 H10 Co2 O9 -","- C88 H40 Co8 O36 -","4","2","","Danilkina, Natalia A.; D'yachenko, Alexander; Govdi, Anastasia I.; Khlebnikov, Alexander F.; Kornyakov, Ilya; Bräse, Stefan; Balova, Irina A.","Intramolecular Nicholas Reactions in the Synthesis of Heteroenediynes fused to Indole, Triazole and Isocoumarin.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00930","","x-ray","1.54184","CuKα","","0.0428","0.0382","","","0.1058","0.1082","","","","","","1.088","","","","has coordinates","253457","2020-10-21","18:00:00",""
"4038529","11.7637","0.0007","14.5153","0.0008","7.3338","0.0004","90","","101.923","0.005","90","","1225.26","0.12","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-5-methyl-3-oxo-N-(prop-2-yn-1-yl)-2,3-dihydrobenzofuran-2-carboxamide","","- C13 H13 N O5 -","- C13 H13 N O5 -","- C52 H52 N4 O20 -","4","1","","Brahmachari, Goutam; Karmakar, Indrajit","Visible Light-Induced and Singlet Oxygen-Mediated Photochemical Conversion of 4-Hydroxy-alpha-benzopyrones to 2-Hydroxy-3-oxo-2,3-dihydrobenzofuran-2-carboxamides/carboxylates Using Rose Bengal as a Photosensitizer.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00726","","","0.71073","MoKα","","0.0662","0.0487","","","0.1143","0.133","","","","","","1.071","","","","has coordinates","253494","2020-10-21","18:00:00",""
"4038530","6.11355","0.00016","22.066","0.0007","10.8459","0.0003","90","","94.66","0.002","90","","1458.29","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O3 S -","- C15 H17 N O3 S -","- C60 H68 N4 O12 S4 -","4","1","","Raclea, Robert-Cristian; Natho, Philipp; Allen, Lewis A. T.; White, Andrew J. P.; Parsons, Philip J.","Oxidative Deconstruction of Azetidinols to α-Amino Ketones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00986","","","1.54184","CuKα","","0.059","0.0404","","","0.0986","0.1152","","","","","","1.053","","","","has coordinates","253495","2020-10-21","18:00:00",""
"4038531","12.1028","0.0003","10.899","0.0003","18.1775","0.0005","90","","101.941","0.003","90","","2345.88","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 O6 S -","- C27 H24 O6 S -","- C108 H96 O24 S4 -","4","1","","Mane, Vaijinath; Sivanandan, Sudheesh T.; Santana, Rafael G.; Beatriz, Adilson; da Silva Júnior, Eufrânio N; Namboothiri, Irishi N. N.","Synthesis of Densely Substituted Sulfonylfurans and Dihydrofurans via Cascade Reactions of α-Functionalized Nitroalkenes with β-Ketosulfones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00606","","x-ray","0.71073","MoKα","","0.0495","0.0395","","","0.0911","0.0994","","","","","","1.05","","","","has coordinates","253496","2020-10-21","18:00:00",""
"4038532","10.8696","0.0003","7.3461","0.0002","20.8568","0.0005","90","","101.555","0.002","90","","1631.65","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C72 H68 N4 O12 S4 -","4","1","","Mane, Vaijinath; Sivanandan, Sudheesh T.; Santana, Rafael G.; Beatriz, Adilson; da Silva Júnior, Eufrânio N; Namboothiri, Irishi N. N.","Synthesis of Densely Substituted Sulfonylfurans and Dihydrofurans via Cascade Reactions of α-Functionalized Nitroalkenes with β-Ketosulfones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00606","","","0.71073","MoKα","","0.0412","0.0383","","","0.0936","0.0952","","","","","","1.085","","","","has coordinates","253497","2020-10-21","18:00:00",""
"4038533","18.974","0.003","7.2666","0.0011","31.532","0.005","90","","92.709","0.002","90","","4342.7","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H41 N2 O12 S2 -","- C48 H41 N2 O12 S2 -","- C192 H164 N8 O48 S8 -","4","1","","Mane, Vaijinath; Sivanandan, Sudheesh T.; Santana, Rafael G.; Beatriz, Adilson; da Silva Júnior, Eufrânio N; Namboothiri, Irishi N. N.","Synthesis of Densely Substituted Sulfonylfurans and Dihydrofurans via Cascade Reactions of α-Functionalized Nitroalkenes with β-Ketosulfones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00606","","","0.71075","MoKα","","0.06","0.0519","","","0.1418","0.1484","","","","","","1.064","","","","has coordinates","253498","2020-10-21","18:00:00",""
"4038534","20.3582","0.0008","11.1376","0.0003","28.4519","0.001","90","","110.673","0.004","90","","6035.8","0.4","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 N2 O8 S -","- C26 H32 N2 O8 S -","- C208 H256 N16 O64 S8 -","8","1","","Mane, Vaijinath; Sivanandan, Sudheesh T.; Santana, Rafael G.; Beatriz, Adilson; da Silva Júnior, Eufrânio N; Namboothiri, Irishi N. N.","Synthesis of Densely Substituted Sulfonylfurans and Dihydrofurans via Cascade Reactions of α-Functionalized Nitroalkenes with β-Ketosulfones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00606","","x-ray","0.71073","MoKα","","0.0653","0.0517","","","0.1402","0.1534","","","","","","1.042","","","","has coordinates","253499","2020-10-21","18:00:00",""
"4038535","13.6314","0.0004","19.2653","0.0005","14.8884","0.0004","90","","90","","90","","3909.89","0.19","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 F3 I O3 S -","- C20 H14 F3 I O3 S -","- C160 H112 F24 I8 O24 S8 -","8","2","","Caspers, Lucien; Spils, Julian; Damrath, Mattis; Lork, Enno; Nachtsheim, Boris Johannes","One-Pot Synthesis and Conformational Analysis of 6-Membered Cyclic Iodonium Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01125","","x-ray","0.71073","MoKα","","0.0372","0.0266","","","0.0497","0.053","","","","","","1.029","","","","has coordinates","253578","2020-10-21","18:00:00",""
"4038536","9.5914","0.0019","16.819","0.003","9.964","0.0019","90","","112.258","0.003","90","","1487.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O S -","- C17 H15 N O S -","- C68 H60 N4 O4 S4 -","4","1","","Xiong, Wei; Zhang, Shengjun; Li, Huijun; Zhang, Zhifeng; Xu, Tongyu","Pd-Catalyzed Decarboxylative Cycloaddition of Vinylethylene Carbonates with Isothiocyanates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00243","","","0.71073","MoKα","","0.0488","0.0364","","","0.0898","0.0973","","","","","","1.034","","","","has coordinates","253579","2020-10-21","18:00:00",""
"4038537","10.79064","0.00008","25.34034","0.00017","7.96505","0.00007","90","","111.012","0.0009","90","","2033.13","0.03","85","2","85","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Br O4 -","- C24 H27 Br O4 -","- C96 H108 Br4 O16 -","4","1","","Annand, James R.; Riehl, Paul S.; Schultz, Danielle M.; Schindler, Corinna S.","High-Throughput Approach toward the Development of a Mizoroki-Heck Reaction To Access Tricyclic Spirolactones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00997","","","1.54184","CuKα","","0.0294","0.0292","","","0.0772","0.0774","","","","","","1.108","","","","has coordinates","253580","2020-10-21","18:00:00",""
"4038538","12.3346","0.0004","13.865","0.0005","12.6601","0.0004","90","","102.552","0.003","90","","2113.37","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N4 Se -","- C26 H18 N4 Se -","- C104 H72 N16 Se4 -","4","1","","Zhu, Yu-Shen; Xue, Yuting; Liu, Wannian; Zhu, Xinju; Hao, Xin-Qi; Song, Mao-Ping","Temperature-Controlled Chalcogenation and Chalcogenocyanation of Imidazopyridines in Water under Transition Metal-Free Conditions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01035","","x-ray","1.54184","CuKα","","0.0564","0.0398","","","0.0896","0.1009","","","","","","1.027","","","","has coordinates","253581","2020-10-21","18:00:00",""
"4038539","11.8281","0.0003","11.8983","0.0003","19.0954","0.0005","72.31","0.002","72.182","0.002","61.141","0.002","2201.08","0.11","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C17 H24 F3 N2 O5 P -","- C17 H24 F3 N2 O4.992 P -","- C68 H96 F12 N8 O19.968 P4 -","4","4","","Fernández-Pérez, Héctor; Lenartowicz, Paweł; Carreras Vinent, Lucas; Grabulosa, Arnald; Kafarski, Paweł; Vidal-Ferran, Anton","Access to alpha-aminophosphonic acid derivatives and phosphonopeptides by [Rh(P-OP)]-catalyzed stereoselective hydrogenation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00914","","","0.71075","MoKα","","0.0733","0.0466","","","0.1216","0.1366","","","","","","1.014","","","","has coordinates,has disorder","253582","2020-10-21","18:00:00",""
"4038540","9.928","0.003","7.168","0.002","21.272","0.007","90","","92.812","0.009","90","","1512","0.8","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H15 Br F3 N O2 -","- C14 H15 Br F3 N O2 -","- C56 H60 Br4 F12 N4 O8 -","4","2","","Davies, Alyn T.; Greenhalgh, Mark D.; Slawin, Alexandra M. Z.; Smith, Andrew D.","NHC-catalyzed enantioselective synthesis of β-trifluoromethyl-β-hydroxyamides","Beilstein Journal of Organic Chemistry","2020","16","","1572","1578","10.3762/bjoc.16.129","","","0.71075","MoKα","","0.0414","0.0378","","","0.0875","0.106","","","","","","0.874","","","","has coordinates","258193","2020-10-21","18:00:00",""
"4038541","9.5366","0.0005","11.6279","0.0007","14.9396","0.0009","99.002","0.005","108.001","0.005","90.007","0.004","1554.09","0.16","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 Fe N3 O3 -","- C36 H42 Fe N3 O3 -","- C72 H84 Fe2 N6 O6 -","2","1","","Lagesse, Natalie; Pisciottani, Luca; Douarre, Maxime; Godard, Pascale; Kauffmann, Brice; Martí-Centelles, Vicente; McClenaghan, Nathan D.","Five-component, one-pot synthesis of an electroactive rotaxane comprising a bisferrocene macrocycle","Beilstein Journal of Organic Chemistry","2020","16","","1564","1571","10.3762/bjoc.16.128","","x-ray","1.54184","CuKα","","0.0556","0.0454","","","0.1116","0.118","","","","","","1.041","","","","has coordinates","258200","2020-10-21","18:00:00",""
"4038542","11.126","0.002","11.093","0.002","18.301","0.004","90","","102.45","0.03","90","","2205.6","0.8","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Cl O3 -","- C13 H7 Cl O3 -","- C104 H56 Cl8 O24 -","8","2","","Zhao, Guihua; Li, Biqing; Wang, Shuangshuang; Liu, Man; Chen, Yuan; Wang, Bin","PIFA-mediated dearomatizative spirocyclization of phenolic biarylic ketones via oxidation and C-C bond cleavage.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00971","","","0.71073","MoKα","","0.0542","0.0445","","","0.1173","0.1257","","","","","","1.048","","","","has coordinates","253672","2020-10-21","18:00:00",""
"4038543","10.8954","0.0004","13.6167","0.0005","12.5125","0.0005","90","","99.513","0.004","90","","1830.82","0.12","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C88 H92 N4 O8 S4 -","4","1","","Zhao, Sheng; Zang, Zhong-Lin; Li, Siyu; Wen, Xumei; Wang, Chenhui; Guo, Jian; He, Yun","Iridium-Catalyzed Cycloisomerization of N-Tethered 1,7-Enynes: Construction of Azabicyclo [5.1.0] octene System.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00516","","","0.71073","MoKα","","0.0649","0.0467","","","0.1113","0.1246","","","","","","1.036","","","","has coordinates","253673","2020-10-21","18:00:00",""
"4038544","21.9715","0.0015","6.3739","0.0004","12.0779","0.0007","90","","92.562","0.006","90","","1689.75","0.18","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 I O3 Si -","- C14 H23 I O3 Si -","- C56 H92 I4 O12 Si4 -","4","1","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","0.71073","MoKα","","0.0402","0.0356","","","0.0865","0.0883","","","","","","1.077","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038545","11.2611","0.0006","6.3708","0.0002","12.0672","0.0004","90","","105.942","0.005","90","","832.43","0.06","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C38 H48 O10 -","2","1","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","1.54184","CuKα","","0.0824","0.0575","","","0.126","0.1414","","","","","","1.03","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038546","19.7853","0.0003","22.1644","0.0004","10.4","0.0002","90","","90","","90","","4560.7","0.14","93","2","93","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C23 H35 O5 -","- C23 H35 O5 -","- C184 H280 O40 -","8","2","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","1.54184","CuKα","","0.0414","0.0365","","","0.0935","0.0966","","","","","","1.032","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038547","17.2644","0.0004","11.1326","0.0003","23.6238","0.0005","90","","110.142","0.002","90","","4262.76","0.18","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 I O4 -","- C21 H31 I O4 -","- C168 H248 I8 O32 -","8","2","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","1.54184","CuKα","","0.0514","0.0381","","","0.0832","0.0892","","","","","","1.057","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038548","64.915","0.003","22.4355","0.0012","16.2049","0.0008","90","","90","","90","","23601","2","93","2","93","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C21 H27 Cl O4 -","- C21 H27 Cl O4 -","- C1008 H1296 Cl48 O192 -","48","3","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","1.54184","CuKα","","0.0952","0.0641","","","0.1602","0.1814","","","","","","1.041","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038549","24.9006","0.0017","6.3095","0.0004","28.91","0.002","90","","110.855","0.002","90","","4244.5","0.5","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 I O3 -","- C13 H19 I O3 -","- C156 H228 I12 O36 -","12","3","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","1.54178","CuKα","","0.0519","0.0474","","","0.122","0.1262","","","","","","1.019","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038550","9.111","0.00015","10.58534","0.00014","48.0239","0.0007","90","","90","","90","","4631.57","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N4 O4 -","- C26 H22 N4 O4 -","- C208 H176 N32 O32 -","8","2","","Song, Xiang-Jia; Ren, Hong-Xia; Xiang, Min; Li, Chen-Yi; Zou, Ying; Li, Xia; Huang, Zhi-Cheng; Tian, Fang; Wang, Li-Xin","Organocatalytic Enantioselective Michael Addition between 3-(3-hydroxy-1H-pyrazol-1-yl)Oxindole and β-Nitrostyrene for the Preparation of Chiral Di-substituted Oxindoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03337","","x-ray","1.54184","CuKα","","0.0467","0.0403","","","0.1085","0.1166","","","","","","1.026","","","","has coordinates","254033","2020-10-21","18:00:00",""
"4038551","8.1128","0.0009","9.3254","0.0011","17.1572","0.0018","90","","100.4","0.011","90","","1276.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Dhiman, Ankit Kumar; Thakur, Ankita; Kumar, Inder; Kumar, Rakesh; Sharma, Upendra","Co(III)-Catalyzed C-H Amidation of Nitrogen Containing Heterocycles with Dioxazolones under Mild Condition.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01237","","x-ray","1.54184","CuKα","","0.055","0.0447","","","0.1176","0.1289","","","","","","1.041","","","","has coordinates","254034","2020-10-21","18:00:00",""
"4038552","9.9751","0.0004","14.6491","0.0005","14.8894","0.0005","90","","93.64","0.002","90","","2171.34","0.14","173","2","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 O2 P -","- C25 H19 O2 P -","- C100 H76 O8 P4 -","4","1","","Xie, Pei; Yang, Shoushan; Guo, Yuyu; Cai, Zhihua; Dai, Bin; He, Lin","Multicomponent reaction of phosphines, benzynes and CO2: facile synthesis of stable zwitterionic phosphonium inner-salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00745","","","0.71073","MoKα","","0.0791","0.0483","","","0.1025","0.1186","","","","","","1.057","","","","has coordinates","254035","2020-10-21","18:00:00",""
"4038553","10.8933","0.0005","11.5767","0.0005","11.8325","0.0006","76.19","0.004","70.082","0.004","67.095","0.004","1282.56","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C60 H44 N4 O16 -","4","2","","Zhou, Yan; Liang, Hong; Sheng, Yaoguang; Wang, Shaoli; Gao, Yi; Zhan, Lingling; Zheng, Zhilong; Yang, Mengjie; Liang, Guang; Zhou, Jianmin; Deng, Jun; Song, Zengqiang","Ruthenium(II)-catalyzed C-H activation of chromones with maleimides to synthesize succinimide/ maleimide-containing chromones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01223","","","0.71073","MoKα","","0.0894","0.0583","","","0.1274","0.1505","","","","","","1.07","","","","has coordinates","254036","2020-10-21","18:00:00",""
"4038554","9.4336","0.0013","19.646","0.003","10.9945","0.0014","90","","106.121","0.005","90","","1957.5","0.5","152","2","152","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N -","- C29 H21 N -","- C116 H84 N4 -","4","1","","Chakraborty, Baitan; Kar, Abhishek; Chanda, Rupsa; Jana, Umasish","Application of Povarov Reaction in Biaryls under Iron Catalysis for the General Synthesis of Dibenzo[a, c]acridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01300","","","0.71073","MoKα","","0.1199","0.087","","","0.1877","0.2171","","","","","","1.065","","","","has coordinates","254037","2020-10-21","18:00:00",""
"4038555","9.8128","0.0004","16.744","0.0008","20.0298","0.0011","86.159","0.004","89.162","0.004","85.312","0.004","3272.5","0.3","153","0.1","153","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C54 H80 N20 O22 -","- C54 H80 N20 O22 -","- C108 H160 N40 O44 -","2","1","","Oshchepkov, Aleksandr S.; Namashivaya, Siva S. R.; Khrustalev, Victor N.; Hampel, Frank; Laikov, Dimitri N.; Kataev, Evgeny A.","Control of Photoisomerization of an Azoazacryptand by Anion Binding and Cucurbit[8]uril Encapsulation in an Aqueous Solution.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01260","","x-ray","1.54184","CuKα","","0.092","0.0731","","","0.1953","0.2126","","","","","","1.043","","","","has coordinates,has disorder","254088","2020-10-21","18:00:00",""
"4038556","25.2762","0.0008","9.5637","0.0001","24.9579","0.0008","90","","125.694","0.005","90","","4899.8","0.4","153","0.1","153","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C54 H66 N14 -","- C54 H66 N14 -","- C216 H264 N56 -","4","0.5","","Oshchepkov, Aleksandr S.; Namashivaya, Siva S. R.; Khrustalev, Victor N.; Hampel, Frank; Laikov, Dimitri N.; Kataev, Evgeny A.","Control of Photoisomerization of an Azoazacryptand by Anion Binding and Cucurbit[8]uril Encapsulation in an Aqueous Solution.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01260","","x-ray","1.54184","CuKα","","0.055","0.0504","","","0.1317","0.137","","","","","","1.038","","","","has coordinates,has disorder","254089","2020-10-21","18:00:00",""
"4038557","11.7704","0.0004","15.69","0.0005","18.6268","0.0006","90","","105.599","0.001","90","","3313.25","0.19","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C14 H16 Cl F3 N O4 P -","- C14 H16 Cl F3 N O4 P -","- C112 H128 Cl8 F24 N8 O32 P8 -","8","1","","Mitrofanov, Alexander; Bychkova, Valentina A.; Nefedov, Sergey E.; Beletskaya, Irina P.","Selective Metal-Controlled Synthesis of Trifluoromethylated (Indolin-2-ylidene)methyl- and Quinolin-3-ylphosphonates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00913","","","0.71073","MoKα","","0.0895","0.0714","","","0.1991","0.2109","","","","","","1.072","","","","has coordinates,has disorder","254090","2020-10-21","18:00:00",""
"4038558","8.3698","0.0018","10.5488","0.0019","10.695","0.002","66.788","0.005","75.559","0.006","76.436","0.005","830.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N2 O2 S -","- C18 H16 N2 O2 S -","- C36 H32 N4 O4 S2 -","2","1","","Honnanayakanavar, Jyoti M.; Harish, Battu; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem Copper-Catalyzed Regioselective <i>N</i>-Arylation-Aza-Michael Addition: Synthesis of Tetracyclic 5<i>H</i>-Benzothiazolo[3,2-<i>a</i>]quinazoline Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00275","","","0.71073","MoKα","","0.1898","0.0739","","","0.1554","0.2094","","","","","","0.962","","","","has coordinates","254124","2020-10-21","18:00:00",""
"4038559","7.6361","0.0015","8.1452","0.0015","14.722","0.003","95.298","0.006","90.26","0.007","113.046","0.006","838.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N2 O2 S -","- C19 H18 N2 O2 S -","- C38 H36 N4 O4 S2 -","2","1","","Honnanayakanavar, Jyoti M.; Harish, Battu; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem Copper-Catalyzed Regioselective <i>N</i>-Arylation-Aza-Michael Addition: Synthesis of Tetracyclic 5<i>H</i>-Benzothiazolo[3,2-<i>a</i>]quinazoline Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00275","","","0.71073","MoKα","","0.0565","0.0449","","","0.1537","0.1657","","","","","","1.267","","","","has coordinates,has disorder","254125","2020-10-21","18:00:00",""
"4038560","36.176","0.005","5.6425","0.0008","15.396","0.002","90","","104.478","0.006","90","","3042.9","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N3 O2 S -","- C17 H15 N3 O2 S -","- C136 H120 N24 O16 S8 -","8","1","","Honnanayakanavar, Jyoti M.; Harish, Battu; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem Copper-Catalyzed Regioselective <i>N</i>-Arylation-Aza-Michael Addition: Synthesis of Tetracyclic 5<i>H</i>-Benzothiazolo[3,2-<i>a</i>]quinazoline Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00275","","","0.71073","MoKα","","0.1546","0.0652","","","0.1481","0.1902","","","","","","0.96","","","","has coordinates","254126","2020-10-21","18:00:00",""
"4038561","8.285","0.003","14.446","0.005","12.198","0.004","90","","90","","90","","1459.9","0.9","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 N3 S -","- C17 H13 N3 S -","- C68 H52 N12 S4 -","4","1","","Honnanayakanavar, Jyoti M.; Harish, Battu; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem Copper-Catalyzed Regioselective <i>N</i>-Arylation-Aza-Michael Addition: Synthesis of Tetracyclic 5<i>H</i>-Benzothiazolo[3,2-<i>a</i>]quinazoline Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00275","","","0.71073","MoKα","","0.0402","0.0337","","","0.1047","0.1103","","","","","","0.872","","","","has coordinates","254127","2020-10-21","18:00:00",""
"4038562","9.1471","0.0006","10.2389","0.0012","10.4577","0.0009","60.722","0.01","78.914","0.006","71.326","0.008","808.58","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N5 O2 -","- C19 H15 N5 O2 -","- C38 H30 N10 O4 -","2","1","","Wang, Yingchun; Opsomer, Tomas; Van Meervelt, Luc; Dehaen, Wim","Ring-Degenerate Rearrangement Resulting from the Azo Coupling Reaction of a 3-Aryl-1,3a,6a-triazapentalene.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01153","","x-ray","0.71073","MoKα","","0.1115","0.069","","","0.1747","0.2037","","","","","","1.066","","","","has coordinates","254128","2020-10-21","18:00:00",""
"4038563","10.495","0.0006","14.6071","0.0006","17.6793","0.0006","71.132","0.003","83.894","0.004","76.917","0.004","2496.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N5 O2 -","- C19 H15 N5 O2 -","- C114 H90 N30 O12 -","6","3","","Wang, Yingchun; Opsomer, Tomas; Van Meervelt, Luc; Dehaen, Wim","Ring-Degenerate Rearrangement Resulting from the Azo Coupling Reaction of a 3-Aryl-1,3a,6a-triazapentalene.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01153","","x-ray","0.71073","MoKα","","0.1364","0.0792","","","0.2122","0.2607","","","","","","1.023","","","","has coordinates","254129","2020-10-21","18:00:00",""
"4038564","14.6337","0.001","8.212","0.0006","19.9944","0.0014","90","","95.296","0.001","90","","2392.5","0.3","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N3 O5 S2 -","- C25 H23 N3 O5 S2 -","- C100 H92 N12 O20 S8 -","4","1","","Kumar, Chepuri V Suneel; Holyoke, Jr, Caleb W; Keller, Taylor M.; Fleming, Fraser F.","Asmic Isocyanide [3 + 2] Cascade to Dihydrooxazoles and Dihydroimidazoles.","The Journal of organic chemistry","2020","85","14","9153","9160","10.1021/acs.joc.0c01119","","","0.71073","MoKα","","0.0315","0.0289","","","0.0728","0.0742","","","","","","1.067","","","","has coordinates","254779","2020-10-21","18:00:00",""
"4038565","10.7556","0.0002","7.9327","0.0002","17.5581","0.0004","90","","96.939","0.002","90","","1487.1","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 N9 O4 S2 -","- C26 H35 N9 O4 S2 -","- C52 H70 N18 O8 S4 -","2","0.5","","Zhang, Yanhan; Yan, Xiaosheng; Cao, Jinlian; Weng, Peimin; Miao, Daiyu; Li, Zhao; Jiang, Yun-Bao","Turn Conformation of β-Amino Acid Based Short Peptides Promoted by an Amidothiourea Moiety at C-Terminus.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01139","","","1.54184","CuKα","","0.0441","0.0409","","","0.1068","0.1087","","","","","","1.049","","","","has coordinates,has disorder","254152","2020-10-21","18:00:00",""
"4038566","6.9345","0.0017","11.057","0.003","11.166","0.002","111.127","0.01","92.434","0.01","96.953","0.011","789.3","0.3","107","2","107","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","1","","Zhang, Xiaofei; Zhu, Peiyuan; Zhang, Ruihong; Li, Xiang; Yao, Tuanli","Visible-light-induced decarboxylative cyclization of 2-alkenylarylisocyanides with α-oxocarboxylic acids: direct access to 2-acylindoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00039","","","0.71073","MoKα","","0.299","0.101","","","0.2206","0.305","","","","","","1.059","","","","has coordinates","254153","2020-10-21","18:00:00",""
"4038567","21.5878","0.0004","11.8658","0.0002","23.2836","0.0003","90","","90","","90","","5964.25","0.17","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H33 N3 O6 S -","- C34 H33 N3 O6 S -","- C272 H264 N24 O48 S8 -","8","1","","Hou, Ke-Qiang; Zhou, Feng; Chen, Xue-Ping; Ge, Yang; Chan, Albert Sun Chi; Xiong, Xiao-Feng","Asymmetric Synthesis of Oxindole-Derived Vicinal Tetrasubstituted Acyclic Amino Acid Derivatives by Mannich-Type Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00981","","x-ray","1.54184","CuKα","","0.0702","0.0581","","","0.1548","0.1651","","","","","","1.083","","","","has coordinates","254193","2020-10-21","18:00:00",""
"4038568","9.98869","0.00017","11.08896","0.00019","13.18431","0.00011","102.245","0.0011","101.385","0.0012","115.842","0.0017","1212.66","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 N2 O6 S -","- C27 H28 N2 O6 S -","- C54 H56 N4 O12 S2 -","2","1","","Hou, Ke-Qiang; Zhou, Feng; Chen, Xue-Ping; Ge, Yang; Chan, Albert Sun Chi; Xiong, Xiao-Feng","Asymmetric Synthesis of Oxindole-Derived Vicinal Tetrasubstituted Acyclic Amino Acid Derivatives by Mannich-Type Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00981","","x-ray","1.54184","CuKα","","0.039","0.0366","","","0.0969","0.0987","","","","","","1.086","","","","has coordinates","254194","2020-10-21","18:00:00",""
"4038569","8.7395","0.0006","8.783","0.0006","11.9719","0.0009","90","","95.873","0.007","90","","914.13","0.11","293","","293","","","","","","","","synthetic","5","P 1 21 1","P 2yb","4","","9-desmethyl-6-aza(pBrbenzoylated)-artemisinin","","- C19 H20 Br N O6 -","- C19 H20 Br N O6 -","- C38 H40 Br2 N2 O12 -","2","1","","Bonepally, Karunakar Reddy; Takahashi, Norihito; Matsuoka, Naoya; Koi, Hikari; Mizoguchi, Haruki; Hiruma, Takahisa; Ochiai, Kyohei; Suzuki, Shun; Yamagishi, Yutaka; Oikawa, Hideaki; Ishiyama, Aki; Hokari, Rei; Iwatsuki, Masato; Otoguro, Kazuhiko; Omura, Satoshi; Kato, Nobutaka; Oguri, Hiroki","Rapid and Systematic Exploration of Chemical Space Relevant to Artemisinins: Anti-malarial Activities of Skeletally Diversified Tetracyclic Peroxides and 6-Aza-artemisinins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01017","","","0.71075","MoKα","","","0.0316","","","","0.0695","","","","","","1.009","","","","has coordinates","254246","2020-10-21","18:00:00",""
"4038570","9.1976","0.0008","13.8881","0.0012","14.247","0.0013","70.634","0.005","87.276","0.006","86.347","0.006","1712.7","0.3","293","","293","","","","","","","","synthetic","5","P -1","-P 1","2","Vinylsilane Syn","Vinylsilane Intermediate","","- C33 H55 N O5 Si -","- C33 H55 N O5 Si -","- C66 H110 N2 O10 Si2 -","2","1","","Bonepally, Karunakar Reddy; Takahashi, Norihito; Matsuoka, Naoya; Koi, Hikari; Mizoguchi, Haruki; Hiruma, Takahisa; Ochiai, Kyohei; Suzuki, Shun; Yamagishi, Yutaka; Oikawa, Hideaki; Ishiyama, Aki; Hokari, Rei; Iwatsuki, Masato; Otoguro, Kazuhiko; Omura, Satoshi; Kato, Nobutaka; Oguri, Hiroki","Rapid and Systematic Exploration of Chemical Space Relevant to Artemisinins: Anti-malarial Activities of Skeletally Diversified Tetracyclic Peroxides and 6-Aza-artemisinins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01017","","","0.71075","MoKα","","","0.0591","","","","0.1875","","","","","","1.028","","","","has coordinates","254246","2020-10-21","18:00:00",""
"4038571","10.1639","0.0007","6.2896","0.0004","22.0115","0.0018","90","","93.038","0.007","90","","1405.15","0.18","296","","296","","","","","","","","synthetic","4","P 1 21 1","P 2yb","4","6-aza-ART","6-aza-artemisinin","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C56 H84 N4 O20 -","4","2","","Bonepally, Karunakar Reddy; Takahashi, Norihito; Matsuoka, Naoya; Koi, Hikari; Mizoguchi, Haruki; Hiruma, Takahisa; Ochiai, Kyohei; Suzuki, Shun; Yamagishi, Yutaka; Oikawa, Hideaki; Ishiyama, Aki; Hokari, Rei; Iwatsuki, Masato; Otoguro, Kazuhiko; Omura, Satoshi; Kato, Nobutaka; Oguri, Hiroki","Rapid and Systematic Exploration of Chemical Space Relevant to Artemisinins: Anti-malarial Activities of Skeletally Diversified Tetracyclic Peroxides and 6-Aza-artemisinins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01017","","","0.71075","MoKα","","0.0875","0.0571","","","0.1349","0.1524","","","","","","1.035","","","","has coordinates","254246","2020-10-21","18:00:00",""
"4038572","8.848","0.004","13.727","0.005","11.346","0.005","90","0.002","111.621","0.002","90","0.002","1281.1","0.9","153.1","","153.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Bonepally, Karunakar Reddy; Takahashi, Norihito; Matsuoka, Naoya; Koi, Hikari; Mizoguchi, Haruki; Hiruma, Takahisa; Ochiai, Kyohei; Suzuki, Shun; Yamagishi, Yutaka; Oikawa, Hideaki; Ishiyama, Aki; Hokari, Rei; Iwatsuki, Masato; Otoguro, Kazuhiko; Omura, Satoshi; Kato, Nobutaka; Oguri, Hiroki","Rapid and Systematic Exploration of Chemical Space Relevant to Artemisinins: Anti-malarial Activities of Skeletally Diversified Tetracyclic Peroxides and 6-Aza-artemisinins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01017","","","0.7107","MoKα","","","0.0484","","","","0.1367","","","","","","1.349","","","","has coordinates","254247","2020-10-21","18:00:00",""
"4038573","9.47937","0.00005","21.40602","0.00008","18.35435","0.00009","90","","93.8774","0.0003","90","","3715.86","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C176 H160 N16 O24 -","8","2","","Wang, Qian; Tuinhof, Jesse; Mgimpatsang, Kumchok C.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Copper-Catalyzed Modular Assembly of Polyheterocycles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01238","","x-ray","1.54184","CuKα","","0.0387","0.0362","","","0.0901","0.092","","","","","","1.039","","","","has coordinates","254248","2020-10-21","18:00:00",""
"4038574","9.2121","0.0001","38.932","0.0005","8.1281","0.0001","90","","114.645","0.002","90","","2649.57","0.07","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N4 O2 -","- C32 H30 N4 O2 -","- C128 H120 N16 O8 -","4","1","","Faltracco, Matteo; Sukowski, Verena; van Druenen, Max; Hamlin, Trevor A.; Bickelhaupt, F. Matthias; Ruijter, Eelco","Diastereoselective Synthesis of β-Lactams by Ligand-Controlled Stereodivergent Intramolecular Tsuji-Trost Allylation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00575","","x-ray","1.54184","CuKα","","0.0517","0.0446","","","0.1073","0.1137","","","","","","1.011","","","","has coordinates,has disorder","254249","2020-10-21","18:00:00",""
"4038575","8.9005","0.0003","15.1026","0.0004","17.357","0.0005","90","","90","","90","","2333.14","0.12","78","2","78","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 O3 P S -","- C27 H27 O3 P S -","- C108 H108 O12 P4 S4 -","4","1","","Kuwabara, Kazuma; Maekawa, Yuuki; Minoura, Mao; Maruyama, Toshifumi; Murai, Toshiaki","Chemo- and Stereoselective Alcoholysis of Binaphthyl Phosphonothioates: Straightforward Access to both Stereoisomers of Biologically Relevant P-Stereogenic Phosphonothioates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00687","","","0.71073","MoKα","","0.0303","0.0286","","","0.0752","0.0768","","","","","","1.057","","","","has coordinates","254250","2020-10-21","18:00:00",""
"4038576","8.9034","0.0017","11.952","0.002","16.993","0.003","90","","90","","90","","1808.3","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 O7 P S -","- C14 H25 O7 P S -","- C56 H100 O28 P4 S4 -","4","1","","Kuwabara, Kazuma; Maekawa, Yuuki; Minoura, Mao; Maruyama, Toshifumi; Murai, Toshiaki","Chemo- and Stereoselective Alcoholysis of Binaphthyl Phosphonothioates: Straightforward Access to both Stereoisomers of Biologically Relevant P-Stereogenic Phosphonothioates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00687","","","0.4118","synchrotron","","0.0248","0.0247","","","0.0659","0.066","","","","","","1.04","","","","has coordinates","254251","2020-10-21","18:00:00",""
"4038577","11.29","0.0004","15.0614","0.0004","19.1778","0.0008","90","","93.217","0.003","90","","3255.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 Co2 N O8 Si -","- C32 H29 Co2 N O8 Si -","- C128 H116 Co8 N4 O32 Si4 -","4","1","","Kang, Zhenghui; Shou, Jiayi; Xing, Dong; Hu, Wenhao","Rh(II)/Ag(I) co-catalyzed three-component reaction via SN1/SN1'-type trapping of oxonium ylide with Nicholas intermediate.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01162","","x-ray","1.54184","CuKα","","0.0761","0.0587","","","0.1549","0.1676","","","","","","1.019","","","","has coordinates","254252","2020-10-21","18:00:00",""
"4038578","10.4936","0.0004","20.3829","0.0009","10.7259","0.0005","90","","90","","90","","2294.16","0.17","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 F8 I2 O4 -","- C18 H12 F8 I2 O4 -","- C72 H48 F32 I8 O16 -","4","1","","Yasumoto, Kento; Kano, Taichi; Maruoka, Keiji","Synthesis of Electron-Deficient Chiral Biphenols and Their Applica-tions in Catalytic Asymmetric Reactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01116","","","1.54187","CuKα","","0.0508","0.0436","","","0.1137","0.1225","","","","","","0.83","","","","has coordinates","254253","2020-10-21","18:00:00",""
"4038579","18.894","0.008","12.886","0.006","11.479","0.005","90","","92.493","0.009","90","","2792","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N S2 -","- C16 H12 N S2 -","- C128 H96 N8 S16 -","8","1","","Li, Ling; Chen, Qian; Xu, Honghui; Zhang, Xiao-Hong; Zhang, Xing-Guo","DBU-Promoted Demethoxylative Thioannulation of Alkynyl Oxime Ethers with Sulfur for the Synthesis of Bisisothiazole-4-yl Disulfides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01334","","","0.71073","MoKα","","0.0664","0.0552","","","0.1967","0.2083","","","","","","1.081","","","","has coordinates","254322","2020-10-21","18:00:00",""
"4038580","11.9761","0.0003","9.3925","0.0002","25.5523","0.0006","90","","102.852","0.002","90","","2802.26","0.12","100","0.11","100","0.11","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C30 H36 F4 N4 -","- C30 H36 F4 N4 -","- C120 H144 F16 N16 -","4","1","","Zhang, Rui; Zhang, Zhikun; Wang, Kang; Wang, Jianbo","Difluoroketenimine: Generation from Difluorocarbene and Isocyanide, and Its [3+2] Cycloadditions with Alkenes or Alkynes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01120","","x-ray","0.71073","MoKα","","0.0478","0.0453","","","0.115","0.116","","","","","","1.184","","","","has coordinates","254323","2020-10-21","18:00:00",""
"4038581","8.1747","0.0003","8.6211","0.0004","9.3514","0.0004","98.774","0.004","93.882","0.003","91.418","0.003","649.42","0.05","179.99","0.1","179.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 F N2 -","- C15 H15 F N2 -","- C30 H30 F2 N4 -","2","1","","Zhang, Rui; Zhang, Zhikun; Wang, Kang; Wang, Jianbo","Difluoroketenimine: Generation from Difluorocarbene and Isocyanide, and Its [3+2] Cycloadditions with Alkenes or Alkynes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01120","","x-ray","0.71073","MoKα","","0.0596","0.0484","","","0.1273","0.1344","","","","","","1.062","","","","has coordinates","254324","2020-10-21","18:00:00",""
"4038582","5.9126","0.0003","12.16","0.0006","20.6164","0.001","90","","90","","90","","1482.26","0.13","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 O2 P -","- C16 H23 O2 P -","- C64 H92 O8 P4 -","4","1","","Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L.","Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00974","","x-ray","1.54178","CuKα","","0.0272","0.0269","","","0.0722","0.0724","","","","","","1.06","","","","has coordinates","254325","2020-10-21","18:00:00",""
"4038583","5.9884","0.0002","13.6655","0.0005","18.8441","0.0007","90","","90","","90","","1542.1","0.1","100","","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 O2 P -","- C16 H23 O2 P -","- C64 H92 O8 P4 -","4","1","","Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L.","Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00974","","x-ray","1.54178","CuKα","","0.0318","0.0301","","","0.076","0.0774","","","","","","1.054","","","","has coordinates","254325","2020-10-21","18:00:00",""
"4038584","11.0048","0.0002","11.0048","0.0002","17.676","0.0003","90","","90","","120","","1853.87","0.06","100","","100","","","","","","","","","4","P 32","P 32","145","","","","- C26 H45 O3 P -","- C26 H45 O3 P -","- C78 H135 O9 P3 -","3","1","","Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L.","Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00974","","x-ray","1.54178","CuKα","","0.0269","0.0266","","","0.0693","0.0697","","","","","","1.049","","","","has coordinates","254325","2020-10-21","18:00:00",""
"4038585","6.3103","0.0003","12.1035","0.0007","19.3802","0.0011","90","","90","","90","","1480.2","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H27 O2 P -","- C14 H27 O2 P -","- C56 H108 O8 P4 -","4","1","","Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L.","Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00974","","x-ray","0.71073","MoKα","","0.0431","0.0363","","","0.0872","0.0915","","","","","","1.037","","","","has coordinates,has disorder","254325","2020-10-21","18:00:00",""
"4038586","12.164","0.006","17.59","0.008","38.736","0.019","90","","90","","90","","8288","7","150","2","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H47 O2 P -","- C28 H47 O2 P -","- C336 H564 O24 P12 -","12","3","","Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L.","Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00974","","","0.71073","MoKα","","0.1022","0.0614","","","0.1149","0.1322","","","","","","1.005","","","","has coordinates","254325","2020-10-21","18:00:00",""
"4038587","5.9712","0.0009","12.238","0.002","22.345","0.004","90","","90","","90","","1632.9","0.5","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H29 O2 P -","- C16 H29 O2 P -","- C64 H116 O8 P4 -","4","1","","Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L.","Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00974","","","0.71073","MoKα","","0.0409","0.0365","","","0.0865","0.089","","","","","","1.043","","","","has coordinates,has disorder","254325","2020-10-21","18:00:00",""
"4038588","9.4768","0.0004","10.3802","0.0005","10.6661","0.0005","84.849","0.001","66.399","0.001","79.726","0.001","945.86","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C44 H42 N2 O10 -","2","1","","Hwu, Jih Ru; Roy, Animesh; Panja, Avijit; Huang, Wen-Chieh; Hu, Yu-Chen; Tan, Kui-Thong; Lin, Chun-Cheng; Hwang, Kuo Chu; Hsu, Ming-Hua; Tsay, Shwu-Chen","Domino Reaction for the Synthesis of Polysubstituted Pyrroles and Lamellarin R.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01134","","","0.71073","MoKα","","0.053","0.0406","","","0.0983","0.1066","","","","","","1.042","","","","has coordinates,has disorder","254357","2020-10-21","18:00:00",""
"4038589","15.945","0.0003","8.13292","0.00013","27.6436","0.0005","90","","95.2369","0.0019","90","","3569.84","0.11","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O4 -","- C23 H19 N O4 -","- C184 H152 N8 O32 -","8","2","","Kazim, Muhammad; Guan, Liangyu; Chopra, Anant; Sun, Roy; Siegler, Maxime A.; Lectka, Thomas","Switching a HO···π Interaction to a Nonconventional OH···π Hydrogen Bond: A Completed Crystallographic Puzzle.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01121","","","1.54178","CuKα","","0.0703","0.0528","","","0.1322","0.1421","","","","","","1.046","","","","has coordinates,has disorder","254358","2020-10-21","18:00:00",""
"4038590","6.8083","0.0006","15.0243","0.001","34.886","0.002","90","","90","","90","","3568.5","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 F3 N3 O2 -","- C20 H16 F3 N3 O2 -","- C160 H128 F24 N24 O16 -","8","2","","Zhu, Wen-Jing; Gong, Jun-Fang; Song, Mao-Ping","Synthesis of Chiral Bis(3-indolyl)methanes Bearing a Trifluoromethylated All-Carbon Quaternary Stereocenter via Nickel-Catalyzed Asymmetric Friedel-Crafts Alkylation Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00336","","x-ray","1.54184","CuKα","","0.0582","0.0513","","","0.1395","0.1455","","","","","","1.049","","","","has coordinates","254359","2020-10-21","18:00:00",""
"4038591","10.1231","0.0005","10.3591","0.0006","24.2386","0.0012","90","","90","","90","","2541.8","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 F3 N3 O5 S -","- C27 H22 F3 N3 O5 S -","- C108 H88 F12 N12 O20 S4 -","4","1","","Zhu, Wen-Jing; Gong, Jun-Fang; Song, Mao-Ping","Synthesis of Chiral Bis(3-indolyl)methanes Bearing a Trifluoromethylated All-Carbon Quaternary Stereocenter via Nickel-Catalyzed Asymmetric Friedel-Crafts Alkylation Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00336","","x-ray","1.54184","CuKα","","0.0494","0.039","","","0.1076","0.1283","","","","","","0.906","","","","has coordinates","254360","2020-10-21","18:00:00",""
"4038592","6.804","0.0011","12.317","0.002","17.084","0.003","90","","90","","90","","1431.7","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O5 -","- C15 H18 N2 O5 -","- C60 H72 N8 O20 -","4","1","","Shatsauskas, Anton L.; Mamonova, Tatyana E.; Stasyuk, Anton J.; Chernenko, Sergey A.; Slepukhin, Pavel A.; Kostyuchenko, Anastasia S.; Fisyuk, Alexander Semenovich","A rearrangement of 7-aryloxazolo[5,4-b]pyridines to benzo[c][1,7]naphthyridine-4(3H)-ones and thieno[3,2-c][1,7]naphthyridine-6(7H)-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01299","","","0.71073","MoKα","","0.1614","0.0557","","","0.0982","0.1428","","","","","","0.981","","","","has coordinates","254441","2020-10-21","18:00:00",""
"4038593","7.8473","0.0004","7.4755","0.0004","24.8721","0.0013","90","","94.13","0.001","90","","1455.27","0.13","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 F6 N0 O2 S4 -","- C30 H22 F6 O2 S4 -","- C60 H44 F12 O4 S8 -","2","0.5","","Soni, Sonam; Pali, Pragya; Ansari, Monish Arbaz; Singh, Maya Shankar","Visible-Light Photocatalysis of Eosin Y: HAT and Complementing MS-CPET Strategy to Trifluoromethylation of β-Ketodithioesters with Langlois' Reagent.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01355","","","0.71073","MoKα","","0.0551","0.0442","","","0.1113","0.1192","","","","","","1.03","","","","has coordinates","254442","2020-10-21","18:00:00",""
"4038594","20.2904","0.001","6.2175","0.0003","11.6198","0.0005","90","","101.089","0.004","90","","1438.53","0.12","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H18 N2 O3 S -","- C14 H18 N2 O3 S -","- C56 H72 N8 O12 S4 -","4","1","","Fujiu, Motohiro; Yokoo, Katsuki; Aoki, Toshiaki; Shibuya, Satoru; Sato, Jun; Komano, Kazuo; Kusano, Hiroki; Sato, Soichiro; Ogawa, Masayoshi; Yamawaki, Kenji","Synthesis of 2-Thio-Substituted 1,6-Diazabicyclo[3.2.1]octane Derivatives, Potent β-Lactamase Inhibitors.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00980","","x-ray","1.54184","CuKα","","0.0443","0.0441","","","0.107","0.1071","","","","","","1.048","","","","has coordinates","254443","2020-10-21","18:00:00",""
"4038595","11.9289","0.0004","8.8193","0.0003","16.9246","0.0006","90","","100.021","0.002","90","","1753.38","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H41 N O5 S -","- C42 H41 N O5 S -","- C84 H82 N2 O10 S2 -","2","1","","Shrestha, Ganesh; Panza, Matteo; Singh, Yashapal; Rath, Nigam P.; Demchenko, Alexei V.","Indolylthio glycosides as effective building blocks for chemical glycosylation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00943","","","1.54178","CuKα","","0.0433","0.0393","","","0.0872","0.0896","","","","","","1.059","","","","has coordinates,has disorder","254444","2020-10-21","18:00:00",""
"4038596","5.9632","0.0002","18.9516","0.0009","15.9602","0.0007","90","","95.889","0.002","90","","1794.18","0.13","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H33 N O9 S -","- C42 H33 N O9 S -","- C84 H66 N2 O18 S2 -","2","1","","Shrestha, Ganesh; Panza, Matteo; Singh, Yashapal; Rath, Nigam P.; Demchenko, Alexei V.","Indolylthio glycosides as effective building blocks for chemical glycosylation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00943","","","0.71073","MoKα","","0.0659","0.0412","","","0.0757","0.0852","","","","","","1.041","","","","has coordinates","254445","2020-10-21","18:00:00",""
"4038597","18.8334","0.0003","17.4964","0.0003","19.2021","0.0003","90","","90","","90","","6327.41","0.18","302","2","302.61","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H43 N3 O8 -","- C30 H43 N3 O8 -","- C240 H344 N24 O64 -","8","1","","Zhang, Mengsi; Li, Baojun; Chen, Huimin; Lu, Haotian; Ma, Hailong; Cheng, Xiaoyu; Wang, Wenbo; Wang, Yue; Ding, Yun; Hu, Aiguo","Triggering the Antitumor Activity of Acyclic Enediyne through Maleimide Assisted Rearrangement and Cycloaromatization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01124","","","1.34139","GaKα","","0.0559","0.0443","","","0.1143","0.1231","","","","","","1.042","","","","has coordinates","254484","2020-10-21","18:00:00",""
"4038598","11.6878","0.0004","12.5438","0.0004","13.3312","0.0004","70.9079","0.0014","72.8568","0.0015","81.449","0.0016","1761.95","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H29 Br2 N3 O5 S2 -","- C34 H29 Br2 N3 O5 S2 -","- C68 H58 Br4 N6 O10 S4 -","2","1","","Dhanasekar, Elumalai; Kannan, Tharanikkarasu; Venkatesan, Ragavan; Perumal, Paramasivam Thirumalai; Kamalraja, Jayabal","Metal-Free and Regioselective Synthesis of Substituted and Fused Chromenopyrrole Scaffolds via Divergent Reactivity of α-Azido Ketone in Water.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00978","","","0.71073","MoKα","","0.0982","0.0531","","","0.1262","0.1477","","","","","","1.034","","","","has coordinates","254485","2020-10-21","18:00:00",""
"4038599","6.5595","0.0012","10.6346","0.0019","13.94","0.003","108.236","0.002","94.37","0.002","99.634","0.002","901.9","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 B N2 O3 -","- C20 H19 B N2 O3 -","- C40 H38 B2 N4 O6 -","2","1","","Suzuki, Yota; Ikeda, Ayumi; Ohno, Keiji; Fujihara, Takashi; Sugaya, Tomoaki; Ishihara, Koji","<i>o</i>-Azophenylboronic Acid-Based Colorimetric Sensors for d-Fructose: <i>o</i>-Azophenylboronic Acids with Inserted Protic Solvent Are the Key Species for a Large Color Change.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01011","","","0.71073","MoKα","","0.0553","0.0498","","","0.1816","0.1954","","","","","","1.036","","","","has coordinates","254516","2020-10-21","18:00:00",""
"4038600","12.151","0.007","6.869","0.004","20.974","0.011","90","","104.652","0.007","90","","1693.7","1.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 B N5 O6 -","- C15 H16 B N5 O6 -","- C60 H64 B4 N20 O24 -","4","1","","Suzuki, Yota; Ikeda, Ayumi; Ohno, Keiji; Fujihara, Takashi; Sugaya, Tomoaki; Ishihara, Koji","<i>o</i>-Azophenylboronic Acid-Based Colorimetric Sensors for d-Fructose: <i>o</i>-Azophenylboronic Acids with Inserted Protic Solvent Are the Key Species for a Large Color Change.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01011","","","0.71073","MoKα","","0.262","0.09","","","0.1732","0.2432","","","","","","0.906","","","","has coordinates","254518","2020-10-21","18:00:00",""
"4038601","8.303","0.002","9.935","0.003","21.623","0.006","90","","97.49","0.004","90","","1768.5","0.8","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 B Cl3 N4 O2 S -","- C12 H14 B Cl3 N4 O2 S -","- C48 H56 B4 Cl12 N16 O8 S4 -","4","1","","Suzuki, Yota; Ikeda, Ayumi; Ohno, Keiji; Fujihara, Takashi; Sugaya, Tomoaki; Ishihara, Koji","<i>o</i>-Azophenylboronic Acid-Based Colorimetric Sensors for d-Fructose: <i>o</i>-Azophenylboronic Acids with Inserted Protic Solvent Are the Key Species for a Large Color Change.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01011","","","0.71073","MoKα","","0.1146","0.0575","","","0.1461","0.1744","","","","","","1.021","","","","has coordinates","254519","2020-10-21","18:00:00",""
"4038602","9.6949","0.0009","12.4853","0.0011","15.2894","0.0014","100.708","0.001","95.767","0.001","97.285","0.001","1789.1","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 B N3 O5 -","- C19 H16 B N3 O5 -","- C76 H64 B4 N12 O20 -","4","2","","Suzuki, Yota; Ikeda, Ayumi; Ohno, Keiji; Fujihara, Takashi; Sugaya, Tomoaki; Ishihara, Koji","<i>o</i>-Azophenylboronic Acid-Based Colorimetric Sensors for d-Fructose: <i>o</i>-Azophenylboronic Acids with Inserted Protic Solvent Are the Key Species for a Large Color Change.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01011","","","0.71073","MoKα","","0.0489","0.0423","","","0.1169","0.1222","","","","","","1.047","","","","has coordinates","254520","2020-10-21","18:00:00",""
"4038603","3.7451","0.0011","7.501","0.002","21.773","0.006","90","","92.94","0.004","90","","610.8","0.3","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H10 B N3 O5 -","- C12 H10 B N3 O5 -","- C24 H20 B2 N6 O10 -","2","1","","Suzuki, Yota; Ikeda, Ayumi; Ohno, Keiji; Fujihara, Takashi; Sugaya, Tomoaki; Ishihara, Koji","<i>o</i>-Azophenylboronic Acid-Based Colorimetric Sensors for d-Fructose: <i>o</i>-Azophenylboronic Acids with Inserted Protic Solvent Are the Key Species for a Large Color Change.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01011","","","0.71073","MoKα","","0.0378","0.0344","","","0.0862","0.0881","","","","","","1.037","","","","has coordinates","254521","2020-10-21","18:00:00",""
"4038604","13.081","0.007","15.69","0.004","16.982","0.004","116.092","0.003","97.851","0.004","101.938","0.004","2958","1.9","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 B N3 O2 -","- C15 H18 B N3 O2 -","- C120 H144 B8 N24 O16 -","8","4","","Suzuki, Yota; Ikeda, Ayumi; Ohno, Keiji; Fujihara, Takashi; Sugaya, Tomoaki; Ishihara, Koji","<i>o</i>-Azophenylboronic Acid-Based Colorimetric Sensors for d-Fructose: <i>o</i>-Azophenylboronic Acids with Inserted Protic Solvent Are the Key Species for a Large Color Change.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01011","","","0.71073","MoKα","","0.1923","0.0757","","","0.1667","0.2232","","","","","","0.924","","","","has coordinates","254522","2020-10-21","18:00:00",""
"4038605","9.9459","0.0011","10.0372","0.0015","10.2116","0.0012","85.58","0.011","72.746","0.01","67.106","0.012","896","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H17 N O -","- C26 H17 N O -","- C52 H34 N2 O2 -","2","1","","Hua, Yiwen; Chen, Zi-Yan; Diao, Hanying; Zhang, Lianpeng; Qiu, Guanyinsheng; Gao, Xiaoxing; Zhou, Hongwei","Copper Catalyzed Preparation of Benzo[3,4]indolo[1,2-b]isoquinoline-8-ones and Photoluminescence Exploration.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00936","","x-ray","1.54184","CuKα","","0.0571","0.0437","","","0.1134","0.1242","","","","","","1.03","","","","has coordinates","254559","2020-10-21","18:00:00",""
"4038606","9.2416","0.0005","18.9953","0.0011","14.738","0.0007","90","","103.756","0.005","90","","2513","0.2","292.9","0.1","292.9","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N2 O -","- C32 H26 N2 O -","- C128 H104 N8 O4 -","4","1","","Du, Li-Juan; Zhang, Yuecheng; Zhang, Hong-Yu; Yin, Guohui; Wang, Xiao-Yan; Zhao, Jiquan; Han, Ya-Ping","Synthesis of 1,6-Dihydropyridine-3-carbonitrile Derivatives via Lewis Acid-Catalyzed Annulation of Propargylic Alcohols with (E)-3-amino-3-phenylacrylonitriles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01171","","x-ray","0.71073","MoKα","","0.1375","0.0868","","","0.1871","0.2198","","","","","","1.043","","","","has coordinates","254560","2020-10-21","18:00:00",""
"4038607","9.1035","0.0003","9.7637","0.0003","13.8594","0.0004","94.342","0.002","106.336","0.002","116.57","0.003","1027.74","0.07","295.9","0.3","295.9","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 I O2 S2 -","- C21 H19 I O2 S2 -","- C42 H38 I2 O4 S4 -","2","1","","Jian, Xue; Bai, Li-Gang; Zhang, Liang; Zhou, Yue; Lin, Xiao-Long; Mou, Neng-Jie; Xiao, Dong-Rong; Luo, Qun-Li","One-Pot Synthesis of 2,4-Diacyl Thiophenes from α-Oxo Ketene Dithioacetals and Propargylic Alcohols.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01093","","x-ray","1.54184","CuKα","","0.0676","0.0659","","","0.1721","0.1763","","","","","","1.041","","","","has coordinates","254589","2020-10-21","18:00:00",""
"4038608","5.6895","0.0002","12.5824","0.0005","25.6234","0.001","90","","90","","90","","1834.32","0.12","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 F3 N O6 -","- C18 H22 F3 N O6 -","- C72 H88 F12 N4 O24 -","4","1","","Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne","cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00801","","","1.54178","CuKα","","0.0245","0.0235","","","0.0581","0.0588","","","","","","1.069","","","","has coordinates","254604","2020-10-21","18:00:00",""
"4038609","8.6589","0.0002","9.9867","0.0002","20.1991","0.0005","90","","90","","90","","1746.69","0.07","102","2","102","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 F3 N O5 -","- C18 H20 F3 N O5 -","- C72 H80 F12 N4 O20 -","4","1","","Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne","cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00801","","","1.54178","CuKα","","0.0302","0.0284","","","0.0631","0.0641","","","","","","1.082","","","","has coordinates","254604","2020-10-21","18:00:00",""
"4038610","8.113","0.005","9.611","0.005","18.867","0.005","90","0.005","90","0.005","90","0.005","1471.1","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 F3 N O4 -","- C15 H16 F3 N O4 -","- C60 H64 F12 N4 O16 -","4","1","","Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne","cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00801","","","1.54178","CuKα","","0.0225","0.0221","","","0.0565","0.0569","","","","","","1.08","","","","has coordinates","254604","2020-10-21","18:00:00",""
"4038611","8.8728","0.0004","11.3215","0.0005","13.0054","0.0006","90","","90","","90","","1306.44","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 F3 N O6 -","- C10 H16 F3 N O6 -","- C40 H64 F12 N4 O24 -","4","1","","Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne","cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00801","","","1.54178","CuKα","","0.0259","0.0247","","","0.0641","0.0652","","","","","","1.045","","","","has coordinates","254604","2020-10-21","18:00:00",""
"4038612","8.26","0.005","10.089","0.005","18.565","0.005","90","0.005","90","0.005","90","0.005","1547.1","1.3","101","2","101","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F3 N O4 -","- C16 H18 F3 N O4 -","- C64 H72 F12 N4 O16 -","4","1","","Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne","cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00801","","","1.54178","CuKα","","0.0238","0.0233","","","0.0605","0.0612","","","","","","1.043","","","","has coordinates","254604","2020-10-21","18:00:00",""
"4038613","10.5277","0.0009","16.5073","0.0015","19.0274","0.0016","90","","90","","90","","3306.7","0.5","100","2","100.02","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl2 F3 N O3 -","- C16 H14 Cl2 F3 N O3 -","- C128 H112 Cl16 F24 N8 O24 -","8","2","","Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne","cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00801","","","1.54178","CuKα","","0.035","0.0317","","","0.0682","0.0702","","","","","","1.088","","","","has coordinates","254604","2020-10-21","18:00:00",""
"4038614","13.4894","0.0001","6.9863","0.0001","18.057","0.0002","90","","96.75","0.001","90","","1689.91","0.03","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","1","","Suzuki, Takahiro; Koyama, Takeshi; Nakanishi, Kenta; Kobayashi, Susumu; Tanino, Keiji","Formal Total Synthesis of Atropurpuran.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01462","","x-ray","1.54184","CuKα","","0.0425","0.0402","","","0.108","0.11","","","","","","1.099","","","","has coordinates","254605","2020-10-21","18:00:00",""
"4038615","9.7358","0.0002","24.4825","0.0003","7.6319","0.0001","90","","100.777","0.001","90","","1787.03","0.05","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C84 H128 O20 -","4","1","","Suzuki, Takahiro; Koyama, Takeshi; Nakanishi, Kenta; Kobayashi, Susumu; Tanino, Keiji","Formal Total Synthesis of Atropurpuran.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01462","","x-ray","1.54184","CuKα","","0.0519","0.0489","","","0.1359","0.1391","","","","","","1.053","","","","has coordinates","254606","2020-10-21","18:00:00",""
"4038616","12.4873","0.0018","14.046","0.002","29.563","0.004","90","","90","","90","","5185.3","1.3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H41 N O5 Si -","- C26 H41 N O5 Si -","- C208 H328 N8 O40 Si8 -","8","1","","Suzuki, Takahiro; Koyama, Takeshi; Nakanishi, Kenta; Kobayashi, Susumu; Tanino, Keiji","Formal Total Synthesis of Atropurpuran.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01462","","","0.71075","MoKα","","","0.0665","","","","0.18","","","","","","1.085","","","","has coordinates","254607","2020-10-21","18:00:00",""
"4038617","12.769","0.0015","5.7458","0.0007","31.33","0.004","90","","90","","90","","2298.6","0.5","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H36 O6 -","- C24 H36 O6 -","- C96 H144 O24 -","4","1","","Wang, Xiao-Tao; Han, Wei-Bo; Chen, Hui-Jun; Zha, Qinghong; Wu, Yikang","Regio- and Stereoselective Addition of HO/OOH to Allylic Alcohols","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01280","","","0.71073","MoKα","","0.0535","0.0486","","","0.1211","0.1248","","","","","","1.063","","","","has coordinates","254608","2020-10-21","18:00:00",""
"4038618","28.3527","0.0007","6.0676","0.0001","14.7772","0.0004","90","","93.381","0.001","90","","2537.74","0.1","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H19 O4.5 -","- C13 H19 O4.5 -","- C104 H152 O36 -","8","1","","Wang, Xiao-Tao; Han, Wei-Bo; Chen, Hui-Jun; Zha, Qinghong; Wu, Yikang","Regio- and Stereoselective Addition of HO/OOH to Allylic Alcohols","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01280","","","0.71073","MoKα","","0.046","0.0414","","","0.1124","0.1173","","","","","","1.053","","","","has coordinates","254608","2020-10-21","18:00:00",""
"4038619","6.3257","0.0003","7.1917","0.0003","20.208","0.001","90","","98.685","0.003","90","","908.77","0.07","200","2","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H32 O5 Si -","- C16 H32 O5 Si -","- C32 H64 O10 Si2 -","2","1","","Wang, Xiao-Tao; Han, Wei-Bo; Chen, Hui-Jun; Zha, Qinghong; Wu, Yikang","Regio- and Stereoselective Addition of HO/OOH to Allylic Alcohols","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01280","","","1.34139","GaKα","","0.0405","0.0357","","","0.0782","0.0814","","","","","","1.062","","","","has coordinates","254608","2020-10-21","18:00:00",""
"4038620","6.7174","0.0004","7.3675","0.0005","14.6311","0.0008","90","","95.693","0.002","90","","720.53","0.08","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O4 -","- C15 H26 O4 -","- C30 H52 O8 -","2","1","","Wang, Xiao-Tao; Han, Wei-Bo; Chen, Hui-Jun; Zha, Qinghong; Wu, Yikang","Regio- and Stereoselective Addition of HO/OOH to Allylic Alcohols","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01280","","","0.71073","MoKα","","0.0367","0.0329","","","0.0794","0.0829","","","","","","1.017","","","","has coordinates","254608","2020-10-21","18:00:00",""
"4038621","7.6652","0.0003","10.2251","0.0003","10.0678","0.0004","90","","97.411","0.003","90","","782.5","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2.75 H1.88 N0.12 O0.12 -","- C2.75 H1.875 N0.125 O0.125 -","- C44 H30 N2 O2 -","16","8","","Lyu, Xue-Li; Huang, Shi-Sheng; Huang, Yuan-Qiong; Li, Yongqiang; Song, Hong-Jian; Liu, Yuxiu; Wang, Qingmin","Rhodium(III)-Catalyzed Direct Coupling of Quinoline-8-Carbaldehydes with (Het)Arylboronic Acids for the Synthesis of 8-Aryloylquinolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01490","","","0.71073","MoKα","","0.0334","0.0317","","","0.0834","0.0855","","","","","","1.001","","","","has coordinates","254627","2020-10-21","18:00:00",""
"4038622","13.4947","0.0003","14.2983","0.0004","16.9696","0.0005","67.4217","0.0011","72.7655","0.001","81.2908","0.001","2884.97","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H74 Cl2 N6 O6 S6 -","- C58 H74 Cl2 N6 O6 S6 -","- C116 H148 Cl4 N12 O12 S12 -","2","1","","Etkind, Samuel I.; Vander Griend, Douglas A.; Swager, Timothy M.","Electroactive Anion Receptor with High Affinity for Arsenate","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01206","","","0.71073","MoKα","","0.0566","0.0407","","","0.0988","0.109","","","","","","1.037","","","","has coordinates","254628","2020-10-21","18:00:00",""
"4038623","12.9213","0.0003","16.017","0.0003","20.8553","0.0004","104.882","0.001","91.17","0.001","90.245","0.001","4170.37","0.15","170","2","170","","","","","","","","","5","P 1","P 1","1","","","","- C49 H36 F N3 O3 -","- C49 H36 F N3 O3 -","- C196 H144 F4 N12 O12 -","4","4","","Chen, Ke-Wei; Wang, Zhao-Shan; Wu, Ping; Yan, Xin-Yu; Zhang, Shu; Zhang, Yu-Chen; Shi, Feng","Catalytic Asymmetric Synthesis of 3,3'-Bisindoles Bearing Single Axial Chirality.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01528","","","1.34139","GaKα","","0.0736","0.0508","","","0.1147","0.1286","","","","","","1.033","","","","has coordinates","254629","2020-10-21","18:00:00",""
"4038624","7.3169","0.0001","21.1822","0.0002","21.2038","0.0002","90","","90","","90","","3286.34","0.06","100","","100","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C23 H22 -","- C23 H22 -","- C184 H176 -","8","1","","Brown, Loren C.; Peloquin, Andrew; Godman, Nicholas P.; Balaich, Gary James; Iacono, Scott T.","Correlation of Structure with Crystalline to Amorphous Phase Transitions of 1,3,6-Substituted Fulvene Derived Molecular Glasses.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01014","","x-ray","1.54178","CuKα","","0.0372","0.0355","","","0.0925","0.0942","","","","","","1.025","","","","has coordinates","254659","2020-10-21","18:00:00",""
"4038625","11.0596","0.0002","8.4681","0.0001","33.2511","0.0005","90","","99.015","0.001","90","","3075.62","0.08","100","","100","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 -","- C21 H20 -","- C168 H160 -","8","2","","Brown, Loren C.; Peloquin, Andrew; Godman, Nicholas P.; Balaich, Gary James; Iacono, Scott T.","Correlation of Structure with Crystalline to Amorphous Phase Transitions of 1,3,6-Substituted Fulvene Derived Molecular Glasses.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01014","","","1.54178","CuKα","","0.0405","0.0383","","","0.0925","0.0938","","","","","","1.076","","","","has coordinates","254660","2020-10-21","18:00:00",""
"4038626","11.7922","0.0002","7.3144","0.0001","23.5196","0.0003","90","","91.718","0.001","90","","2027.72","0.05","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C30 H22 -","- C30 H22 -","- C120 H88 -","4","2","","Brown, Loren C.; Peloquin, Andrew; Godman, Nicholas P.; Balaich, Gary James; Iacono, Scott T.","Correlation of Structure with Crystalline to Amorphous Phase Transitions of 1,3,6-Substituted Fulvene Derived Molecular Glasses.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01014","","x-ray","1.54178","CuKα","","0.0257","0.0256","","","0.0692","0.0693","","","","","","1.057","","","","has coordinates","254661","2020-10-21","18:00:00",""
"4038627","9.4761","0.0001","9.698","0.0001","23.3128","0.0003","90","","97.566","0.001","90","","2123.78","0.04","100","","100","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 -","- C32 H22 -","- C128 H88 -","4","1","","Brown, Loren C.; Peloquin, Andrew; Godman, Nicholas P.; Balaich, Gary James; Iacono, Scott T.","Correlation of Structure with Crystalline to Amorphous Phase Transitions of 1,3,6-Substituted Fulvene Derived Molecular Glasses.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01014","","x-ray","1.54178","CuKα","","0.0348","0.034","","","0.0826","0.0833","","","","","","1.029","","","","has coordinates","254662","2020-10-21","18:00:00",""
"4038628","12.742","0.003","9.0469","0.0019","26.924","0.006","90","","96.544","0.009","90","","3083.5","1.2","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H25 F6 N O9 S2 -","- C28 H25 F6 N O9 S2 -","- C112 H100 F24 N4 O36 S8 -","4","2","","Chu, Ming-Ming; Chen, Xue-Yang; Wang, Yi-Feng; Qi, Suo-Suo; Jiang, Zhen-Hui; Xu, Dan-Qian; Xu, Zhen-Yuan","Regio- and Enantioselective Friedel-Crafts Benzhydrylation of Indoles in Carbocyclic Ring with ortho-Quinomethanes: Access to Chiral Diarylindolylmethanes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03479","","","0.71073","MoKα","","0.1251","0.0878","","","0.2305","0.2687","","","","","","1.034","","","","has coordinates","254685","2020-10-21","18:00:00",""
"4038629","9.238","0.0007","11.0371","0.0009","12.9522","0.0007","104.269","0.006","101.676","0.005","98.093","0.006","1227.84","0.16","273","","273","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Br N O3 S -","- C28 H20 Br N O3 S -","- C56 H40 Br2 N2 O6 S2 -","2","1","","Chen, Zhan; Jin, Shengnan; Jiang, Wenyao; Zhu, Feimin; Chen, Yuqi; Zhao, Yingwei","Multicomponent Synthesis of Iminocoumarins via Rhodium-Catalyzed C-H Bond Activation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01303","","x-ray","0.71073","MoKα","","0.0699","0.0433","","","0.0937","0.1101","","","","","","1.0518","","","","has coordinates","254686","2020-10-21","18:00:00",""
"4038630","13.41972","0.00009","13.53829","0.00009","13.78246","0.00009","90","","90","","90","","2504","0.03","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O5 -","- C28 H38 O5 -","- C112 H152 O20 -","4","1","","Elsayed, Somayah; Genta-Jouve, Gregory; Carrión, Víctor; Nibbering, Peter; Siegler, Maxime A.; de Boer, Wietse; Hankemeier, Thomas; van Wezel, Gilles P.","Atypical Spirotetronate Polyketides Identified in the Under-explored Genus Streptacidiphilus.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01210","","","1.54178","CuKα","","0.0246","0.0245","","","0.0632","0.0633","","","","","","1.053","","","","has coordinates","254708","2020-10-21","18:00:00",""
"4038631","15.4794","0.0004","11.3565","0.0003","17.3278","0.0004","90","","100.282","0.001","90","","2997.17","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H26 Cl2 -","- C42 H26 Cl2 -","- C168 H104 Cl8 -","4","1","","Berrocal, Jose Augusto; Pfeifer, Lukas; Heijnen, Dorus; Feringa, Ben L.","Synthesis of Core-Modified Third-Generation Light-Driven Molecular Motors.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01235","","","1.54178","CuKα","","0.0437","0.0364","","","0.0892","0.0938","","","","","","1.007","","","","has coordinates","254709","2020-10-21","18:00:00",""
"4038632","14.1264","0.0003","11.2302","0.0003","20.1932","0.0005","90","","108.151","0.001","90","","3044.09","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 O2 -","- C44 H32 O2 -","- C176 H128 O8 -","4","1","","Berrocal, Jose Augusto; Pfeifer, Lukas; Heijnen, Dorus; Feringa, Ben L.","Synthesis of Core-Modified Third-Generation Light-Driven Molecular Motors.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01235","","","1.54178","CuKα","","0.0479","0.0407","","","0.1006","0.1059","","","","","","1.027","","","","has coordinates,has disorder","254710","2020-10-21","18:00:00",""
"4038633","13.4014","0.0003","16.7991","0.0004","17.6974","0.0004","90","","94.059","0.001","90","","3974.25","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H40 Cl2 -","- C56 H40 Cl2 -","- C224 H160 Cl8 -","4","1","","Berrocal, Jose Augusto; Pfeifer, Lukas; Heijnen, Dorus; Feringa, Ben L.","Synthesis of Core-Modified Third-Generation Light-Driven Molecular Motors.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01235","","","1.54178","CuKα","","0.0578","0.0511","","","0.1252","0.1296","","","","","","1.053","","","","has coordinates,has disorder","254711","2020-10-21","18:00:00",""
"4038634","8.2755","0.0003","10.0566","0.0004","14.2145","0.0006","96.365","0.003","98.489","0.003","108.418","0.004","1094.34","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Cl N O4 -","- C20 H12 Cl N O4 -","- C40 H24 Cl2 N2 O8 -","2","1","","Joshi, Dirgha Raj; Seo, Yohan; Heo, Yunkyung; Park, So-Hyeon; Lee, Yechan; Namkung, Wan; Kim, Ikyon","Domino [4+2] Annulation Access to Quinone-Indolizine Hybrids: Anticancer N-Fused Polycycles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01291","","x-ray","0.71073","MoKα","","0.0656","0.0553","","","0.1689","0.1782","","","","","","1.062","","","","has coordinates","254712","2020-10-21","18:00:00",""
"4038635","6.3409","0.0002","15.7289","0.0006","21.5122","0.0009","90","","90","","90","","2145.53","0.14","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 Br N2 O4 -","- C26 H21 Br N2 O4 -","- C104 H84 Br4 N8 O16 -","4","1","","Ueda, Jun; Harada, Shingo; Kanda, Ayaka; Nakayama, Hiroki; Nemoto, Tetsuhiro","Silver-Catalyzed, Chemo- and Enantioselective Intramolecular Dearomatization of Indoles to Access Sterically Congested Azaspiro Frameworks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01580","","","1.54187","CuKα","","0.0779","0.0569","","","0.1162","0.1268","","","","","","1.045","","","","has coordinates","254736","2020-10-21","18:00:00",""
"4038636","9.4438","0.0002","12.2974","0.0002","18.032","0.0004","90","","90","","90","","2094.13","0.07","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 Br N2 O2 -","- C23 H25 Br N2 O2 -","- C92 H100 Br4 N8 O8 -","4","1","","Ueda, Jun; Harada, Shingo; Kanda, Ayaka; Nakayama, Hiroki; Nemoto, Tetsuhiro","Silver-Catalyzed, Chemo- and Enantioselective Intramolecular Dearomatization of Indoles to Access Sterically Congested Azaspiro Frameworks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01580","","","1.54187","CuKα","","0.077","0.0674","","","0.1235","0.1305","","","","","","1.066","","","","has coordinates","254737","2020-10-21","18:00:00",""
"4038637","11.7533","0.001","7.0684","0.0006","28.577","0.002","90","","98.767","0.003","90","","2346.4","0.3","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 O4 -","- C30 H26 O4 -","- C120 H104 O16 -","4","1","","Hosseini, Seyyedamirhossein; Thapa, Bishnu; Medeiros, Maria Jose; Pasciak, Erick M.; Pence, Michael A.; Twum, Eric B.; Karty, Jonathan A.; Gao, Xinfeng; Mubarak, Mohammad S.; Raghavachari, Krishnan; Peters, Dennis G.","Electrosynthesis of a Biaurone by Controlled Dimerization of Flavone: Mechanistic Insight and Large-Scale Application.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01220","","","0.71073","MoKα","","0.0518","0.0425","","0.111","0.1039","0.1108","","","","","","1.0047","","","","has coordinates","254743","2020-10-21","18:00:00",""
"4038638","10.1603","0.0006","14.3842","0.0007","29.7704","0.0018","90","","90","","90","","4350.9","0.4","173","","173","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H18 O4 -","- C30 H18 O4 -","- C240 H144 O32 -","8","1","","Hosseini, Seyyedamirhossein; Thapa, Bishnu; Medeiros, Maria Jose; Pasciak, Erick M.; Pence, Michael A.; Twum, Eric B.; Karty, Jonathan A.; Gao, Xinfeng; Mubarak, Mohammad S.; Raghavachari, Krishnan; Peters, Dennis G.","Electrosynthesis of a Biaurone by Controlled Dimerization of Flavone: Mechanistic Insight and Large-Scale Application.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01220","","","0.71073","MoKα","","0.0759","0.0436","","0.1038","0.0895","0.1036","","","","","","0.9672","","","","has coordinates","254744","2020-10-21","18:00:00",""
"4038639","8.2499","0.0004","16.3857","0.0008","23.2184","0.0009","90","","91.583","0.002","90","","3137.5","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H29 N O2 S -","- C43 H29 N O2 S -","- C172 H116 N4 O8 S4 -","4","1","","Yang, Sheng-Yi; Tian, Qi-Sheng; Yu, You-Jun; Zou, Sheng-Nan; Li, Hong-Cheng; Khan, Aziz; Wu, Qian-Han; Jiang, Zuo-Quan; Liao, Liang-Sheng","Sky-Blue Thermally Activated Delayed Fluorescence with Intramolecular Spatial Charge Transfer Based on a Dibenzothiophene Sulfone Emitter.","The Journal of organic chemistry","2020","85","16","10628","10637","10.1021/acs.joc.0c01200","","","0.71073","MoKα","","0.09","0.0514","","","0.1028","0.1225","","","","","","1.039","","","","has coordinates","255875","2020-10-21","18:00:00",""
"4038640","19.4003","0.0009","8.8494","0.0004","21.4549","0.001","90","","110.588","0.001","90","","3448.2","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 Cl3 N O2 S -","- C44 H28 Cl3 N O2 S -","- C176 H112 Cl12 N4 O8 S4 -","4","1","","Yang, Sheng-Yi; Tian, Qi-Sheng; Yu, You-Jun; Zou, Sheng-Nan; Li, Hong-Cheng; Khan, Aziz; Wu, Qian-Han; Jiang, Zuo-Quan; Liao, Liang-Sheng","Sky-Blue Thermally Activated Delayed Fluorescence with Intramolecular Spatial Charge Transfer Based on a Dibenzothiophene Sulfone Emitter.","The Journal of organic chemistry","2020","85","16","10628","10637","10.1021/acs.joc.0c01200","","","0.71073","MoKα","","0.0931","0.0757","","","0.1898","0.2024","","","","","","1.06","","","","has coordinates","255875","2020-10-21","18:00:00",""
"4038641","21.308","0.007","10.085","0.002","8.125","0.002","90","","95.72","0.02","90","","1737.3","0.8","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F3 N O -","- C24 H14 F3 N O -","- C96 H56 F12 N4 O4 -","4","1","","Zhang, Yu; Yu, Yue; Liang, Bing-Bing; Pei, Yong-Yan; Liu, Xiang; Yao, Hua-Gang; Cao, Hua","Synthesis of Pyrrolo[2,1,5-cd]indolizine Rings via Visible-Light-Induced Intermolecular [3+2] Cycloaddition of Indolizines and Alkynes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01253","","x-ray","0.71073","MoKα","","0.1077","0.0883","","","0.1954","0.2242","","","","","","1.15","","","","has coordinates","254809","2020-10-21","18:00:00",""
"4038642","6.9037","0.0003","10.4256","0.0004","15.9906","0.0007","75.052","0.002","81.967","0.002","79.048","0.002","1086.72","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 Cl N4 -","- C27 H23 Cl N4 -","- C54 H46 Cl2 N8 -","2","1","","Ren, Zhi-Lin; Cai, Shuang; Liu, Ying-Ying; Xie, Yin-Qing; Yuan, Ding; Lei, Min; He, Ping; Wang, Long","C(sp2)-H Functionalization of Imidazole at C2 and C4-Position via Palladium-Catalyzed Isocyanide Insertion Leading to Indeno[1,2-d]imidazole and Imidazo[1,2-a]indole Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01454","","","0.71073","MoKα","","0.0607","0.0397","","","0.0898","0.1011","","","","","","1.043","","","","has coordinates","254810","2020-10-21","18:00:00",""
"4038643","8.0093","0.0009","13.7121","0.0017","17.661","0.002","90","","102.821","0.003","90","","1891.2","0.4","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Cl F3 N3 -","- C21 H17 Cl F3 N3 -","- C84 H68 Cl4 F12 N12 -","4","1","","Ren, Zhi-Lin; Cai, Shuang; Liu, Ying-Ying; Xie, Yin-Qing; Yuan, Ding; Lei, Min; He, Ping; Wang, Long","C(sp2)-H Functionalization of Imidazole at C2 and C4-Position via Palladium-Catalyzed Isocyanide Insertion Leading to Indeno[1,2-d]imidazole and Imidazo[1,2-a]indole Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01454","","","0.71073","MoKα","","0.1416","0.0759","","","0.1272","0.1565","","","","","","1.071","","","","has coordinates","254811","2020-10-21","18:00:00",""
"4038644","14.7629","0.0006","13.4736","0.0005","8.8054","0.0003","90","","90","","90","","1751.48","0.11","250","2","250","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C17 H16 Cl2 N2 O6 -","- C17 H16 Cl2 N2 O6 -","- C34 H32 Cl4 N4 O12 -","2","0.5","","Sun, Guodong; Wang, Zhongqing; Luo, Zhonghua; Lin, YiCao; Deng, Zhuofei; Li, Ridong; Zhang, Jiancun","Design, Synthesis and Resolution of Spirocyclic Bisoxindoles Based C2-Symmetric Diols.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01155","","","0.71073","MoKα","","0.1081","0.098","","","0.296","0.3139","","","","","","1.366","","","","has coordinates","254841","2020-10-21","18:00:00",""
"4038645","28.9222","0.001","7.8099","0.0003","31.9633","0.001","90","","113.747","0.002","90","","6608.6","0.4","110","2","110.01","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H54 O5 Si3 -","- C26 H54 O5 Si3 -","- C208 H432 O40 Si24 -","8","2","","Fortunato, Moustapha; Gimbert, Yves; Rousset, Elodie; Lameiras, Pedro; Martinez, Agathe; Gatard, Sylvain; Plantier-Royon, Richard; Jaroschik, Florian","Diastereoselective synthesis of axially chiral xylose-derived 1,3-disubstituted alkoxyallenes: scope, structure and mechanism.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01240","","","1.54178","CuKα","","0.0491","0.0436","","","0.1034","0.1076","","","","","","1.073","","","","has coordinates,has disorder","255134","2020-10-21","18:00:00",""
"4038646","7.858","0.0016","31.257","0.006","28.576","0.006","90","","90","0.01","90","","7019","2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H55.75 O6 Si3 -","- C27 H55.75 O6.00025 Si3 -","- C216 H446 O48.002 Si24 -","8","4","","Fortunato, Moustapha; Gimbert, Yves; Rousset, Elodie; Lameiras, Pedro; Martinez, Agathe; Gatard, Sylvain; Plantier-Royon, Richard; Jaroschik, Florian","Diastereoselective synthesis of axially chiral xylose-derived 1,3-disubstituted alkoxyallenes: scope, structure and mechanism.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01240","","","0.710751","Synchrotron","","0.1062","0.0979","","","0.2425","0.2594","","","","","","1.026","","","","has coordinates,has disorder","255134","2020-10-21","18:00:00",""
"4038647","14.5692","0.0007","16.642","0.0008","37.323","0.0017","90","","90","","90","","9049.4","0.7","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C94 H104 Eu2 N4 O9 -","- C94 H104 Eu2 N4 O9 -","- C376 H416 Eu8 N16 O36 -","4","1","","Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang","Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00877","","","0.71073","MoKα","","0.0322","0.0287","","","0.0683","0.0699","","","","","","1.039","","","","has coordinates","255135","2020-10-21","18:00:00",""
"4038648","14.6007","0.001","16.7977","0.0011","37.486","0.003","90","","90","","90","","9193.7","1.1","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C94 H104 N4 Nd2 O9 -","- C94 H104 N4 Nd2 O9 -","- C376 H416 N16 Nd8 O36 -","4","1","","Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang","Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00877","","","0.71073","MoKα","","0.0598","0.0427","","","0.0814","0.0862","","","","","","1.051","","","","has coordinates","255136","2020-10-21","18:00:00",""
"4038649","14.5715","0.0011","16.3015","0.0013","36.96","0.003","90","","90","","90","","8779.4","1.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C94 H106 N4 O10 Y2 -","- C94 H106 N4 O10 Y2 -","- C376 H424 N16 O40 Y8 -","4","1","","Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang","Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00877","","","0.71073","MoKα","","0.1063","0.0715","","","0.1512","0.1631","","","","","","1.067","","","","has coordinates","255137","2020-10-21","18:00:00",""
"4038650","12.2177","0.0004","12.0514","0.0004","12.2819","0.0004","90","","90.36","0.001","90","","1808.36","0.1","120","2","120.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O -","- C10 H14 O -","- C80 H112 O8 -","8","4","","Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang","Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00877","","","1.54178","CuKα","","0.0631","0.0522","","","0.1237","0.1327","","","","","","1.086","","","","has coordinates","255138","2020-10-21","18:00:00",""
"4038651","13.7694","0.0006","26.093","0.0011","14.2594","0.0007","90","","115.124","0.001","90","","4638.5","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C86 H86 La2 N4 O6 -","- C86 H86 La2 N4 O6 -","- C172 H172 La4 N8 O12 -","2","1","","Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang","Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00877","","","0.71073","MoKα","","0.0511","0.0384","","","0.0984","0.1062","","","","","","1.02","","","","has coordinates","255139","2020-10-21","18:00:00",""
"4038652","10.671","0.0006","22.8755","0.0015","9.5065","0.0006","90","","92.152","0.004","90","","2318.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Br N O5 -","- C23 H28 Br N O5 -","- C92 H112 Br4 N4 O20 -","4","1","","Ubale, Akash; Chaudhari, Moreshwar Bhagwan; Shaikh, Moseen A.; Gnanaprakasam, Boopathy","Manganese-Catalyzed Synthesis of Quaternary Peroxides: Application in Catalytic Deperoxidation and Rearrangement Reactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00837","","","1.54178","CuKα","","0.1205","0.0819","","","0.1986","0.2196","","","","","","1.063","","","","has coordinates","255140","2020-10-21","18:00:00",""
"4038653","11.949","0.003","25.877","0.006","16.528","0.005","90","","98.21","0.02","90","","5058","2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H48 Cl6 N2 O4 S2 -","- C53 H47 Cl3 N2 O4 S2 -","- C212 H188 Cl12 N8 O16 S8 -","4","1","","Dressler, Justin; Barker, Joshua E.; Karas, Lucas J.; Hashimoto, Hannah; Kishi, Ryohei; Zakharov, Lev N.; MacMillan, Samantha N.; Gómez-García, Carlos J; Nakano, Masayoshi; Wu, Judy I.; Haley, Michael M.","Late-stage Modification of Electronic Properties of Antiaromatic and Diradicaloid Indeno[1,2-b]fluorene Analogues via Sulfur Oxidation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01387","","","1.54178","CuKα","","0.0972","0.0719","","","0.1746","0.203","","","","","","1.052","","","","has coordinates","255141","2020-10-21","18:00:00",""
"4038654","7.6244","0.0001","10.3907","0.0002","15.0797","0.0003","92.525","0.002","97.786","0.002","98.462","0.002","1168.26","0.04","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H52 N2 O4 S2 -","- C56 H52 N2 O4 S2 -","- C56 H52 N2 O4 S2 -","1","0.5","","Dressler, Justin; Barker, Joshua E.; Karas, Lucas J.; Hashimoto, Hannah; Kishi, Ryohei; Zakharov, Lev N.; MacMillan, Samantha N.; Gómez-García, Carlos J; Nakano, Masayoshi; Wu, Judy I.; Haley, Michael M.","Late-stage Modification of Electronic Properties of Antiaromatic and Diradicaloid Indeno[1,2-b]fluorene Analogues via Sulfur Oxidation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01387","","x-ray","1.54184","CuKα","","0.047","0.0427","","","0.1036","0.1063","","","","","","1.02","","","","has coordinates","255142","2020-10-21","18:00:00",""
"4038655","13.0977","0.0014","15.0775","0.0016","15.4634","0.0015","115.901","0.003","94.74","0.003","112.307","0.003","2425.5","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H44 O4 S2 -","- C48 H44 O4 S2 -","- C96 H88 O8 S4 -","2","1","","Dressler, Justin; Barker, Joshua E.; Karas, Lucas J.; Hashimoto, Hannah; Kishi, Ryohei; Zakharov, Lev N.; MacMillan, Samantha N.; Gómez-García, Carlos J; Nakano, Masayoshi; Wu, Judy I.; Haley, Michael M.","Late-stage Modification of Electronic Properties of Antiaromatic and Diradicaloid Indeno[1,2-b]fluorene Analogues via Sulfur Oxidation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01387","","","0.71073","MoKα","","0.1466","0.0848","","","0.2035","0.2237","","","","","","1.002","","","","has coordinates","255143","2020-10-21","18:00:00",""
"4038656","8.1459","0.0003","9.0608","0.0004","13.5621","0.0005","75.86","0.002","73.582","0.002","84.176","0.002","930.52","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H33 Cl3 O4 S2 -","- C43 H33 Cl3 O4 S2 -","- C43 H33 Cl3 O4 S2 -","1","0.5","","Dressler, Justin; Barker, Joshua E.; Karas, Lucas J.; Hashimoto, Hannah; Kishi, Ryohei; Zakharov, Lev N.; MacMillan, Samantha N.; Gómez-García, Carlos J; Nakano, Masayoshi; Wu, Judy I.; Haley, Michael M.","Late-stage Modification of Electronic Properties of Antiaromatic and Diradicaloid Indeno[1,2-b]fluorene Analogues via Sulfur Oxidation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01387","","","1.54178","CuKα","","0.0566","0.053","","","0.1387","0.1411","","","","","","1.077","","","","has coordinates,has disorder","255144","2020-10-21","18:00:00",""
"4038657","9.5884","0.0006","14.8739","0.0009","15.0818","0.0009","90.941","0.003","94.795","0.004","102.677","0.003","2089.8","0.2","100","","100","","","","","","","","","3","P 1","P 1","1","","(1R,2S,4R)-4-(methoxycarbonyl)-2-methylcyclohexane-1-carboxylic acid","","- C10 H16 O4 -","- C10 H16 O4 -","- C80 H128 O32 -","8","8","","Cornelius, Lyndon A. M.; Li, Jianqing; Smith, Daniel; Krishnananthan, Subramaniam; Yip, Shiuhang; Wu, Dauh-Rurng; Pawluczyk, Joseph; Aulakh, Darpandeep; Sarjeant, Amy A.; Kempson, James; Tino, Joseph A.; Mathur, Arvind; Dhar, T. G. Murali; Cherney, Robert J.","Synthesis of 1-(tert-Butyl) 4-Methyl (1R,2S,4R)-2-Methylcyclohexane-1,4-Dicarboxylate from Hagemann's tert-Butyl Ester for an Improved Synthesis of BMS-986251.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01169","","x-ray","1.54178","CuKα","","0.085","0.079","","","0.2003","0.2059","","","","","","1.046","","","","has coordinates,has disorder","255187","2020-10-21","18:00:00",""
"4038658","9.1062","0.0015","11.3846","0.0018","13.688","0.002","105.432","0.002","100.772","0.002","112.646","0.002","1193.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H43 P Si4 -","- C17 H43 P Si4 -","- C34 H86 P2 Si8 -","2","1","","Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01393","","","0.71073","MoKα","","0.0416","0.0377","","","0.1255","0.1301","","","","","","1.11","","","","has coordinates","255188","2020-10-21","18:00:00",""
"4038659","11.3795","0.0013","15.8206","0.0018","14.3559","0.0017","90","","102.901","0.0012","90","","2519.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H45 P Si4 -","- C18 H45 P Si4 -","- C72 H180 P4 Si16 -","4","1","","Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01393","","","0.71073","MoKα","","0.0785","0.0738","","","0.22","0.2313","","","","","","1.088","","","","has coordinates,has disorder","255188","2020-10-21","18:00:00",""
"4038660","8.501","0.002","11.132","0.003","15.43","0.004","106.972","0.002","91.957","0.003","109.448","0.002","1302.9","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H47 P Si4 -","- C19 H47 P Si4 -","- C38 H94 P2 Si8 -","2","1","","Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01393","","","0.71073","MoKα","","0.0351","0.0317","","","0.0812","0.0833","","","","","","1.043","","","","has coordinates,has disorder","255188","2020-10-21","18:00:00",""
"4038661","8.365","0.002","11.304","0.003","16.179","0.004","109.976","0.003","92.19","0.004","108.632","0.004","1343.7","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H49 P Si4 -","- C20 H49 P Si4 -","- C40 H98 P2 Si8 -","2","1","","Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01393","","","0.71073","MoKα","","0.0789","0.0532","","","0.1207","0.1334","","","","","","1.08","","","","has coordinates","255188","2020-10-21","18:00:00",""
"4038662","16.317","0.003","10.0485","0.0018","18.383","0.003","90","","90","","90","","3014.1","0.9","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H55 P Si4 -","- C26 H55 P Si4 -","- C104 H220 P4 Si16 -","4","1","","Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01393","","","0.71073","MoKα","","0.0285","0.025","","","0.0586","0.0605","","","","","","1.033","","","","has coordinates","255188","2020-10-21","18:00:00",""
"4038663","11.3052","0.0004","16.6951","0.0006","17.9915","0.0006","90","","90.973","0.001","90","","3395.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H56 F6 P Sb Si4 -","- C26 H56 F6 P Sb Si4 -","- C104 H224 F24 P4 Sb4 Si16 -","4","1","","Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01393","","","0.71073","MoKα","","0.0238","0.0208","","","0.0501","0.0524","","","","","","1.016","","","","has coordinates,has disorder","255188","2020-10-21","18:00:00",""
"4038664","10.0857","0.0005","11.4481","0.0005","30.5231","0.0014","90","","95.713","0.001","90","","3506.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H57 Ag F6 O P2 Si4 -","- C26 H57 Ag F6 O P2 Si4 -","- C104 H228 Ag4 F24 O4 P8 Si16 -","4","1","","Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01393","","","0.71073","MoKα","","0.0413","0.0315","","","0.0627","0.0667","","","","","","1.056","","","","has coordinates,has disorder","255188","2020-10-21","18:00:00",""
"4038665","13.525","0.0003","14.4928","0.0003","20.6967","0.0004","80.1888","0.0017","78.9436","0.0018","82.5255","0.0018","3903.38","0.14","100","0.3","100","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 N12 O14 -","- C30 H32 N12 O14 -","- C120 H128 N48 O56 -","4","2","","Breton, Gary W.; Martin, Kenneth L.","Probing the Dynamic Covalent Chemistry Behavior of Nitrogen-Centered Di and Tri-Urazole Radicals.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01425","","x-ray","0.71073","MoKα","","0.1156","0.0642","","","0.1485","0.1663","","","","","","1.037","","","","has coordinates","255189","2020-10-21","18:00:00",""
"4038666","11.442","0.00011","35.588","0.0004","12.41317","0.00017","90","","108.58","0.0012","90","","4791.16","0.1","100","0.12","100","0.12","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 N18 O18 -","- C36 H36 N18 O18 -","- C144 H144 N72 O72 -","4","1","","Breton, Gary W.; Martin, Kenneth L.","Probing the Dynamic Covalent Chemistry Behavior of Nitrogen-Centered Di and Tri-Urazole Radicals.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01425","","x-ray","1.54184","CuKα","","0.0615","0.0518","","","0.1269","0.1316","","","","","","1.051","","","","has coordinates,has disorder","255190","2020-10-21","18:00:00",""
"4038667","23.94","0.03","10.015","0.003","26.173","0.015","90","","90","","90","","6275","9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H37 N5 O3 -","- C36 H37 N5 O3 -","- C288 H296 N40 O24 -","8","1","","Srinivasulu, Vunnam; Schilf, Paul; Ibrahim, Saleh; Shehadi, Ihsan A.; Malik, Omar G.; Sieburth, Scott; Khanfar, Monther A.; Hamad, Mohamad; Abu-Yousef, Imad A.; Majdalawieh, Amin F.; Al-Tel, Taleb H.","Divergent Strategy for Diastereocontrolled Synthesis of Small- and Medium-Ring Architectures","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01244","","x-ray","0.71073","MoKα","","0.4631","0.0983","","","0.1124","0.2015","","","","","","0.9","","","","has coordinates","255219","2020-10-21","18:00:00",""
"4038668","8.8554","0.0004","15.448","0.0006","15.7234","0.0008","87.963","0.004","76.295","0.004","75.824","0.003","2025.48","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H49 N5 O9 -","- C42 H49 N5 O9 -","- C84 H98 N10 O18 -","2","1","","Srinivasulu, Vunnam; Schilf, Paul; Ibrahim, Saleh; Shehadi, Ihsan A.; Malik, Omar G.; Sieburth, Scott; Khanfar, Monther A.; Hamad, Mohamad; Abu-Yousef, Imad A.; Majdalawieh, Amin F.; Al-Tel, Taleb H.","Divergent Strategy for Diastereocontrolled Synthesis of Small- and Medium-Ring Architectures","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01244","","x-ray","0.71073","MoKα","","0.0891","0.0548","","","0.1297","0.1483","","","","","","1.024","","","","has coordinates","255220","2020-10-21","18:00:00",""
"4038669","13.5493","0.0005","14.2703","0.0003","6.6906","0.0002","90","","90","","90","","1293.64","0.07","173","2","173","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C18 H20 -","- C18 H20 -","- C72 H80 -","4","1","","Langhals, Heinz; Dietl, Christian; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Chern, Yaw-Terng; Mayer, Peter","FRET in Orthogonal Stiff Dyads; Diamond-restriction for Frozen Vibrations.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01184","","","0.71073","MoKα","","0.0435","0.0374","","","0.0933","0.0974","","","","","","1.082","","","","has coordinates","255221","2020-10-21","18:00:00",""
"4038670","7.1566","0.0006","6.7942","0.0006","13.6647","0.0011","90","","94.077","0.008","90","","662.74","0.1","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 -","- C18 H20 -","- C36 H40 -","2","0.5","","Langhals, Heinz; Dietl, Christian; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Chern, Yaw-Terng; Mayer, Peter","FRET in Orthogonal Stiff Dyads; Diamond-restriction for Frozen Vibrations.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01184","","","0.71073","MoKα","","0.0803","0.0505","","","0.1285","0.1359","","","","","","1.053","","","","has coordinates","255221","2020-10-21","18:00:00",""
"4038671","5.0456","0.0004","10.0717","0.0008","20.3776","0.0017","96.509","0.004","95.256","0.004","90.126","0.004","1024.46","0.14","100","","99.98","","","","","","","","","5","P 1","P 1","1","","","","- C26 H22 N O2 P -","- C26 H22 N O2 P -","- C52 H44 N2 O4 P2 -","2","2","","Winters, Karen R.; Montchamp, Jean-Luc","Evaluation and Development of Methodologies for the Synthesis of Thiophosphinic Acids","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01151","","","0.71073","MoKα","","0.0522","0.0517","","","0.1388","0.139","","","","","","1.194","","","","has coordinates,has disorder","255240","2020-10-21","18:00:00",""
"4038672","10.0069","0.0003","14.7854","0.0005","16.3253","0.0005","90","","90","","90","","2415.43","0.13","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2.7 H2.7 F0.1 N0.2 O0.3 -","- C2.7 H2.7 F0.1 N0.2 O0.3 -","- C108 H108 F4 N8 O12 -","40","10","","Wang, Yuqing; Wang, Gaigai; Peshkov, Anatoly A.; Yao, Ruwei; Hasan, Muhammad; Zaman, Manzoor; Liu, Chao; Kashtanov, Stepan; Pereshivko, Olga P.; Peshkov, Vsevolod A.","Controlling the stereochemistry in 2-oxo-aldehyde-derived Ugi adducts through the cinchona alkaloid-promoted electrophilic fluorination.","Beilstein journal of organic chemistry","2020","16","","1963","1973","10.3762/bjoc.16.163","","x-ray","1.54178","CuKα","","0.0342","0.0334","","","0.087","0.0883","","","","","","1.101","","","","has coordinates","276325","2022-06-28","14:14:18",""
"4038673","13.199","0.002","11.712","0.002","15.424","0.003","90","","91.56","0.009","90","","2383.5","0.7","120","","120.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 F N2 O3 -","- C27 H27 F N2 O3 -","- C108 H108 F4 N8 O12 -","4","1","","Wang, Yuqing; Wang, Gaigai; Peshkov, Anatoly A.; Yao, Ruwei; Hasan, Muhammad; Zaman, Manzoor; Liu, Chao; Kashtanov, Stepan; Pereshivko, Olga P.; Peshkov, Vsevolod A.","Controlling the stereochemistry in 2-oxo-aldehyde-derived Ugi adducts through the cinchona alkaloid-promoted electrophilic fluorination.","Beilstein journal of organic chemistry","2020","16","","1963","1973","10.3762/bjoc.16.163","","x-ray","1.54178","CuKα","","0.081","0.0637","","","0.1547","0.1783","","","","","","1.055","","","","has coordinates","256197","2020-10-21","18:00:00",""
"4038674","8.065","0.0002","15.5091","0.0005","7.9152","0.0002","90","","107.286","0.003","90","","945.32","0.05","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 O2 -","- C28 H18 O2 -","- C56 H36 O4 -","2","0.5","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0554","0.051","","","0.1486","0.1533","","","","","","1.071","","","","has coordinates","255267","2020-10-21","18:00:00",""
"4038675","20.4806","0.0008","20.4806","0.0008","7.7702","0.0003","90","","90","","90","","3259.2","0.2","130","2","130","2","","","","","","","","3","P 42","P 4c","77","","","","- C40 H44 N2 -","- C40 H44 N2 -","- C160 H176 N8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.1319","0.1014","","","0.2557","0.3035","","","","","","1.016","","","","has coordinates","255267","2020-10-21","18:00:00",""
"4038676","9.5927","0.0004","11.5581","0.0004","27.4017","0.0009","90","","90","","90","","3038.12","0.19","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H40 N2 -","- C38 H40 N2 -","- C152 H160 N8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0744","0.0671","","","0.1843","0.1916","","","","","","1.062","","","","has coordinates","255267","2020-10-21","18:00:00",""
"4038677","9.6607","0.0001","11.69","0.0002","13.1805","0.0002","90","","104.823","0.002","90","","1438.98","0.04","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H36 N2 -","- C36 H36 N2 -","- C72 H72 N4 -","2","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0439","0.0396","","","0.1006","0.1044","","","","","","1.061","","","","has coordinates,has disorder","255267","2020-10-21","18:00:00",""
"4038678","9.4593","0.0004","11.8372","0.0004","30.9935","0.0017","90","","90","","90","","3470.4","0.3","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C44 H48 N2 -","- C44 H48 N2 -","- C176 H192 N8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.1229","0.0932","","","0.2508","0.2778","","","","","","1.033","","","","has coordinates","255267","2020-10-21","18:00:00",""
"4038679","9.7094","0.0006","11.6644","0.001","23.344","0.002","90","","90","","90","","2643.8","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N2 O2 -","- C36 H32 N2 O2 -","- C144 H128 N8 O8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0876","0.064","","","0.1363","0.15","","","","","","1.066","","","","has coordinates,has disorder","255267","2020-10-21","18:00:00",""
"4038680","9.9973","0.0001","11.6194","0.0001","13.9974","0.0002","90","","98.549","0.001","90","","1607.91","0.03","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H48 N2 -","- C40 H48 N2 -","- C80 H96 N4 -","2","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0426","0.0385","","","0.1073","0.1116","","","","","","1.04","","","","has coordinates,has disorder","255267","2020-10-21","18:00:00",""
"4038681","9.8901","0.0003","11.4265","0.0005","13.5336","0.0005","90","","100.593","0.003","90","","1503.36","0.1","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H44 N2 -","- C38 H44 N2 -","- C76 H88 N4 -","2","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0578","0.0552","","","0.1665","0.1707","","","","","","1.095","","","","has coordinates,has disorder","255267","2020-10-21","18:00:00",""
"4038682","9.8232","0.0003","11.5685","0.0005","24.8431","0.0011","90","","90","","90","","2823.16","0.19","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H40 N2 -","- C36 H40 N2 -","- C144 H160 N8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0972","0.0922","","","0.2667","0.2718","","","","","","1.103","","","","has coordinates,has disorder","255267","2020-10-21","18:00:00",""
"4038683","9.8347","0.0001","11.3818","0.0001","24.1002","0.0002","90","","90","","90","","2697.69","0.04","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 N2 O2 -","- C36 H36 N2 O2 -","- C144 H144 N8 O8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0327","0.0319","","","0.0839","0.0847","","","","","","1.039","","","","has coordinates,has disorder","255267","2020-10-21","18:00:00",""
"4038684","10.2971","0.0004","5.3701","0.0002","10.6919","0.0004","90","","94.959","0.002","90","","589.01","0.04","122","2","122","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H14 Cl N -","- C13 H14 Cl N -","- C26 H28 Cl2 N2 -","2","1","","Wellhöfer, Isabelle; Beck, Janina; Frydenvang, Karla; Bräse, Stefan; Olsen, Christian A.","Increasing the Functional Group Diversity in Helical β-Peptoids: Achievement of Solvent- and pH-Dependent Folding","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00780","","","1.54178","CuKα","","0.0399","0.0335","","","0.0741","0.0778","","","","","","1.055","","","","has coordinates","255268","2020-10-21","18:00:00",""
"4038685","25.6686","0.0015","6.3122","0.0004","11.3113","0.0006","90","","115.585","0.004","90","","1653.01","0.18","122","2","122","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","1","","Wellhöfer, Isabelle; Beck, Janina; Frydenvang, Karla; Bräse, Stefan; Olsen, Christian A.","Increasing the Functional Group Diversity in Helical β-Peptoids: Achievement of Solvent- and pH-Dependent Folding","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00780","","","1.54178","CuKα","","0.0468","0.0383","","","0.0871","0.091","","","","","","1.061","","","","has coordinates","255269","2020-10-21","18:00:00",""
"4038686","10.3861","0.0002","11.8749","0.0003","19.6542","0.0005","90","","90","","90","","2424.03","0.1","295.8","0.5","295.8","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C108 H108 N4 O16 -","4","1","","Jiang, Ying; Yang, Yang; He, Qing; Du, Wei; Chen, Ying-Chun","Asymmetric Intramolecular Rauhut‒Currier Reaction and Its Desymmetric Version via Double Thiol/Phase-Transfer Catalysis","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01293","","x-ray","1.54184","CuKα","","0.0677","0.0646","","","0.164","0.1702","","","","","","1.052","","","","has coordinates","255270","2020-10-21","18:00:00",""
"4038687","13.6569","0.0006","11.1976","0.0007","17.9855","0.0009","90","","97.29","0.005","90","","2728.2","0.3","292.8","0.9","292.8","0.9","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H27 Cl O2 -","- C35 H27 Cl O2 -","- C140 H108 Cl4 O8 -","4","2","","Jiang, Ying; Yang, Yang; He, Qing; Du, Wei; Chen, Ying-Chun","Asymmetric Intramolecular Rauhut‒Currier Reaction and Its Desymmetric Version via Double Thiol/Phase-Transfer Catalysis","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01293","","x-ray","1.54184","CuKα","","0.0959","0.0819","","","0.2432","0.2689","","","","","","1.03","","","","has coordinates","255271","2020-10-21","18:00:00",""
"4038688","13.4137","0.0006","5.9329","0.0002","20.1416","0.0008","90","","90.21","0.004","90","","1602.9","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N S -","- C20 H17 N S -","- C80 H68 N4 S4 -","4","1","","Yue, Yuanyuan; Shao, Huibin; Wang, Zhixian; Wang, Ke; Wang, Le; Zhuo, Kelei; Liu, Jianming","Elemental Sulfur-Incorporated Cyclizations of Pyrrolidines Leading to Thienopyrroles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01363","","","0.71073","MoKα","","0.0604","0.0439","","","0.0992","0.1081","","","","","","1.038","","","","has coordinates","255272","2020-10-21","18:00:00",""
"4038689","28.9068","0.0005","5.7531","0.0001","10.5484","0.0002","90","","98.531","0.002","90","","1734.83","0.05","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H19 N O S -","- C21 H19 N O S -","- C84 H76 N4 O4 S4 -","4","1","","Yue, Yuanyuan; Shao, Huibin; Wang, Zhixian; Wang, Ke; Wang, Le; Zhuo, Kelei; Liu, Jianming","Elemental Sulfur-Incorporated Cyclizations of Pyrrolidines Leading to Thienopyrroles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01363","","","1.54184","CuKα","","0.0369","0.0363","","","0.1052","0.106","","","","","","1.079","","","","has coordinates","255273","2020-10-21","18:00:00",""
"4038690","18.769","0.003","5.6852","0.0009","29.015","0.004","90","","90","","90","","3096.1","0.8","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H15 N O2 Se -","- C17 H15 N O2 Se -","- C136 H120 N8 O16 Se8 -","8","2","","Chen, Jia-Min; Qi, Lin; Zhang, Linlin; Li, Li-Jun; Hou, Cong-Ying; Li, Wei; Wang, Li-Jing","Copper/DTBP-Promoted Oxyselenation of Propargylic Amines with Diselenides and CO<sub>2</sub>: Synthesis of Selenyl 2-Oxazolidinones.","The Journal of organic chemistry","2020","85","16","10924","10933","10.1021/acs.joc.0c01519","","","0.71073","MoKα","","0.142","0.0428","","","0.0447","0.0565","","","","","","0.867","","","","has coordinates","255876","2020-10-21","18:00:00",""
"4038691","3.8353","0.0001","23.3888","0.0006","16.9879","0.0012","90","","93.51","0.007","90","","1521.01","0.12","123","","123","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H15 N3 O2 -","- C21 H15 N3 O2 -","- C84 H60 N12 O8 -","4","1","","Rowlands, Gareth J.; Severinsen, Rebecca J.; Buchanan, Jenna K.; Shaffer, Karl J.; Jameson, Heather T.; Thennakoon, Nishani; Leito, Ivo; Lõkov, Märt; Kütt, Agnes; Vianello, Robert; Despotović, Ines; Radić, Nena; Plieger, Paul G.","Synthesis and Basicity Studies of Quinolino[7,8-h]quinoline Derivatives","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01428","","","1.54187","CuKα","","0.0341","0.0333","","","0.0936","0.0952","","","","","","0.843","","","","has coordinates","255298","2020-10-21","18:00:00",""
"4038692","7.7745","0.0004","14.5862","0.0007","16.6756","0.0012","90","","90","","90","","1891.02","0.19","163","","163","","","","","","","","","3","P b n b","-P 2bc 2ab","56","","","","- C26 H16 N4 -","- C26 H16 N4 -","- C104 H64 N16 -","4","0.5","","Rowlands, Gareth J.; Severinsen, Rebecca J.; Buchanan, Jenna K.; Shaffer, Karl J.; Jameson, Heather T.; Thennakoon, Nishani; Leito, Ivo; Lõkov, Märt; Kütt, Agnes; Vianello, Robert; Despotović, Ines; Radić, Nena; Plieger, Paul G.","Synthesis and Basicity Studies of Quinolino[7,8-h]quinoline Derivatives","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01428","","","1.54187","CuKα","","0.1226","0.0625","","","0.1343","0.1764","","","","","","0.971","","","","has coordinates","255298","2020-10-21","18:00:00",""
"4038693","9.8312","0.0012","6.6242","0.0009","12.7222","0.0019","90","","95.267","0.008","90","","825.02","0.19","123","","123","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H10 Cl N5 O5 -","- C18 H10 Cl N5 O5 -","- C36 H20 Cl2 N10 O10 -","2","0.5","","Rowlands, Gareth J.; Severinsen, Rebecca J.; Buchanan, Jenna K.; Shaffer, Karl J.; Jameson, Heather T.; Thennakoon, Nishani; Leito, Ivo; Lõkov, Märt; Kütt, Agnes; Vianello, Robert; Despotović, Ines; Radić, Nena; Plieger, Paul G.","Synthesis and Basicity Studies of Quinolino[7,8-h]quinoline Derivatives","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01428","","","1.54187","CuKα","","0.1521","0.0762","","","0.1589","0.2062","","","","","","0.996","","","","has coordinates,has disorder","255298","2020-10-21","18:00:00",""
"4038694","13.5792","0.0007","10.3124","0.0005","19.7937","0.001","90","","108.203","0.002","90","","2633.1","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37 H24 O2 -","- C37 H24 O2 -","- C148 H96 O8 -","4","1","","Sharma, Abhilash; Hazarika, Hemanta; Sarmah, Manashi; Das, Babulal; Gogoi, Pranjal","Indane-Fused Spiropentadiene Chromanones: A Pd-Catalyzed Spiro-Annulation Followed by Cyclization via C-H Activation Strategy.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01475","","","0.71073","MoKα","","0.0874","0.0499","","","0.1285","0.1657","","","","","","0.949","","","","has coordinates","255327","2020-10-21","18:00:00",""
"4038695","12.7378","0.0006","9.8142","0.0005","22.302","0.0011","90","","98.626","0.002","90","","2756.5","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 O2 -","- C38 H26 O2 -","- C152 H104 O8 -","4","1","","Sharma, Abhilash; Hazarika, Hemanta; Sarmah, Manashi; Das, Babulal; Gogoi, Pranjal","Indane-Fused Spiropentadiene Chromanones: A Pd-Catalyzed Spiro-Annulation Followed by Cyclization via C-H Activation Strategy.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01475","","","0.71073","MoKα","","0.0897","0.0661","","","0.1357","0.1518","","","","","","1.019","","","","has coordinates","255328","2020-10-21","18:00:00",""
"4038696","5.6868","0.0002","14.0452","0.001","22.1678","0.0007","90","","96.97","0.003","90","","1757.51","0.15","110.1","0.1","110.1","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl N O Se -","- C20 H20 Cl N O Se -","- C80 H80 Cl4 N4 O4 Se4 -","4","1","","Song, Wei-Hong; Shi, Jia; Chen, Xiaohong; Song, Guoyong","Silver-Catalyzed Remote C5-H Selenylation of Indoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00921","","x-ray","0.71073","MoKα","","0.0446","0.0348","","","0.0713","0.076","","","","","","1.042","","","","has coordinates","255329","2020-10-21","18:00:00",""
"4038697","12.0693","0.0008","10.9616","0.0008","29.0524","0.0019","90","","90","","90","","3843.6","0.5","146","2","146","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H23 N O2 Se -","- C21 H23 N O2 Se -","- C168 H184 N8 O16 Se8 -","8","2","","Song, Wei-Hong; Shi, Jia; Chen, Xiaohong; Song, Guoyong","Silver-Catalyzed Remote C5-H Selenylation of Indoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00921","","x-ray","0.71073","MoKα","","0.0677","0.0471","","","0.082","0.0911","","","","","","1.03","","","","has coordinates","255330","2020-10-21","18:00:00",""
"4038698","9.73271","0.0001","10.62789","0.00015","18.00805","0.00018","90","","90","","90","","1862.72","0.04","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Cl N O3 -","- C19 H22 Cl N O3 -","- C76 H88 Cl4 N4 O12 -","4","1","","Gediya, Shweta K.; Clarkson, Guy J.; Wills, Martin","Asymmetric Transfer Hydrogenation: Dynamic Kinetic Resolution of α-Amino Ketones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01438","","x-ray","1.54184","CuKα","","0.0402","0.0378","","","0.0993","0.1014","","","","","","1.047","","","","has coordinates,has disorder","255491","2020-10-21","18:00:00",""
"4038699","12.55924","0.00006","5.55118","0.00003","13.81508","0.00007","90","","109.467","0.0005","90","","908.106","0.008","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 N O3 S -","- C21 H21 N O3 S -","- C42 H42 N2 O6 S2 -","2","1","","Gediya, Shweta K.; Clarkson, Guy J.; Wills, Martin","Asymmetric Transfer Hydrogenation: Dynamic Kinetic Resolution of α-Amino Ketones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01438","","x-ray","1.54184","CuKα","","0.0325","0.0325","","","0.0905","0.0905","","","","","","1.071","","","","has coordinates","255492","2020-10-21","18:00:00",""
"4038700","12.085","0.002","7.2789","0.0015","14.672","0.003","90","","96.83","0.03","90","","1281.5","0.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H30 N O3 P -","- C30 H30 N O3 P -","- C60 H60 N2 O6 P2 -","2","1","","Petrovic, Ana G.; Polavarapu, Prasad L.; Łopusiński, Andrzej; Krasowska, Dorota; Wieczorek, Wanda; Szyrej, Małgorzata; Błaszczyk, Jarosław; Drabowicz, Józef","Absolute Configuration and Conformation of (-)-<i>R</i>-<i>t</i>-Butylphenylphosphinoamidate: Chiroptical Spectroscopy and X-ray Analysis.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00756","","","0.71073","MoKα","","0.0277","0.0258","","","0.0673","0.0688","","","","","","1.047","","","","has coordinates","255494","2020-10-21","18:00:00",""
"4038701","8.5733","0.0005","30.5985","0.0018","8.2945","0.0005","90","","105.083","0.001","90","","2100.9","0.2","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F7 N O3 -","- C22 H18 F7 N O3 -","- C88 H72 F28 N4 O12 -","4","1","","Dorokhov, Valentin; Nelyubina, Yulia; Ioffe, Sema; Sukhorukov, Alexey Yu","Asymmetric Synthesis of Merck's Potent hNK1 Antagonist and Its Stereoisomers via Tandem Acylation/[3,3]-Rearrangement of 1,2-Oxazine-N-oxides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01322","","","0.71073","MoKα","","0.0911","0.0526","","","0.1056","0.1264","","","","","","1.014","","","","has coordinates,has disorder","255495","2020-10-21","18:00:00",""
"4038702","15.986","0.0007","16.5452","0.0007","16.1942","0.0008","90","","146.786","0.001","90","","2346.2","0.19","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 F N O5 -","- C26 H30 F N O5 -","- C104 H120 F4 N4 O20 -","4","1","","Dorokhov, Valentin; Nelyubina, Yulia; Ioffe, Sema; Sukhorukov, Alexey Yu","Asymmetric Synthesis of Merck's Potent hNK1 Antagonist and Its Stereoisomers via Tandem Acylation/[3,3]-Rearrangement of 1,2-Oxazine-N-oxides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01322","","","0.71073","MoKα","","0.0527","0.0381","","","0.0863","0.0952","","","","","","1.026","","","","has coordinates","255496","2020-10-21","18:00:00",""
"4038703","10.5027","0.0006","7.0136","0.0004","13.6611","0.0008","90","","96.983","0.002","90","","998.84","0.1","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","1","","Zhang, Ke; Zhang, Wen-Zhen; Tao, Xue-Yan; Zhang, Min; Ren, Wei-Min; Lu, Xiao-Bing","Carboxylative Cyclization of 2-Butenoates with Carbon Dioxide: Access to Glutaconic Anhydrides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01717","","","0.71073","MoKα","","0.0746","0.0514","","","0.1286","0.1417","","","","","","1.028","","","","has coordinates","255497","2020-10-21","18:00:00",""
"4038704","9.1058","0.0005","9.3616","0.0005","12.5435","0.0006","76.487","0.001","79.631","0.001","80.564","0.001","1014.35","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O9 -","- C22 H20 O9 -","- C44 H40 O18 -","2","1","","Zhang, Ke; Zhang, Wen-Zhen; Tao, Xue-Yan; Zhang, Min; Ren, Wei-Min; Lu, Xiao-Bing","Carboxylative Cyclization of 2-Butenoates with Carbon Dioxide: Access to Glutaconic Anhydrides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01717","","","0.71073","MoKα","","0.0929","0.0714","","","0.17","0.1845","","","","","","1.026","","","","has coordinates","255498","2020-10-21","18:00:00",""
"4038705","10.1493","0.0006","6.7882","0.0004","14.1297","0.0008","90","","95.25","0.002","90","","969.39","0.1","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O3 -","- C12 H10 O3 -","- C48 H40 O12 -","4","1","","Zhang, Ke; Zhang, Wen-Zhen; Tao, Xue-Yan; Zhang, Min; Ren, Wei-Min; Lu, Xiao-Bing","Carboxylative Cyclization of 2-Butenoates with Carbon Dioxide: Access to Glutaconic Anhydrides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01717","","","0.71073","MoKα","","0.076","0.0556","","","0.1538","0.168","","","","","","1.021","","","","has coordinates","255499","2020-10-21","18:00:00",""
"4038706","17.7454","0.0002","13.7235","0.0002","21.0126","0.0003","90","","90","","90","","5117.18","0.12","173","1","173","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C31 H28 N2 O3 -","- C31 H28 N2 O3 -","- C248 H224 N16 O24 -","8","2","","Campbell, Molly V.; Iretskii, Alexei V.; Mosey, R. Adam","One-Pot Tandem Assembly of Amides, Amines, and Ketones: Synthesis of C4-Quaternary 3,4- and 1,4-Dihydroquinazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01308","","","1.54178","CuKα","","0.0472","0.0398","","","0.0907","0.0955","","","","","","1.037","","","","has coordinates","255557","2020-10-21","18:00:00",""
"4038707","10.2112","0.0003","15.7567","0.0005","17.6793","0.0005","69.215","0.002","74.393","0.002","73.995","0.002","2509.49","0.14","173","","173","1","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N2 O3 -","- C31 H28 N2 O3 -","- C124 H112 N8 O12 -","4","2","","Campbell, Molly V.; Iretskii, Alexei V.; Mosey, R. Adam","One-Pot Tandem Assembly of Amides, Amines, and Ketones: Synthesis of C4-Quaternary 3,4- and 1,4-Dihydroquinazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01308","","","1.54178","CuKα","","0.0607","0.0412","","","0.0966","0.1073","","","","","","1.014","","","","has coordinates,has disorder","255558","2020-10-21","18:00:00",""
"4038708","8.0569","0.0004","17.1074","0.0009","17.4187","0.0009","117.369","0.005","91.41","0.004","93.755","0.004","2123.5","0.2","120","0.1","120","0.1","","","","","","","","2","P -1","-P 1","2","","","","- C58 H40 -","- C58 H40 -","- C116 H80 -","2","1","","Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Triflic Acid-Promoted Adamantylation and <i>tert</i>-Butylation of Pyrene: Fluorescent Properties of Pyrene-Decorated Adamantanes and a Channeled Crystal Structure of 1,3,5-Tris(pyren-2-yl)adamantane.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01060","","x-ray","1.54184","CuKα","","0.0999","0.0811","","","0.1957","0.2067","","","","","","1.032","","","","has coordinates","255559","2020-10-21","18:00:00",""
"4038709","20.84906","0.00018","14.0884","0.00011","38.1251","0.0003","90","","90","","90","","11198.5","0.16","160","0.1","160","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C61 H84 O10 -","- C61 H84 O10 -","- C488 H672 O80 -","8","1","","Du, Ke; Demay-Drouhard, Paul; Samanta, Kushal; Li, Shunshun; Thikekar, Tushar Ulhas; Wang, Haiying; Guo, Minjie; van Lagen, Barend; Zuilhof, Han; Sue, Andrew C.-H.","Stereochemical Inversion of Rim-Differentiated Pillar[5]arene Molecular Swings","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01464","","x-ray","1.54184","CuKα","","0.0499","0.0406","","","0.1084","0.1165","","","","","","1.052","","","","has coordinates","255560","2020-10-21","18:00:00",""
"4038710","19.4882","0.00008","14.12202","0.00007","28.65569","0.00012","90","","105.565","0.0004","90","","7597.2","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H65 N5 O10 -","- C80 H65 N5 O10 -","- C320 H260 N20 O40 -","4","1","","Du, Ke; Demay-Drouhard, Paul; Samanta, Kushal; Li, Shunshun; Thikekar, Tushar Ulhas; Wang, Haiying; Guo, Minjie; van Lagen, Barend; Zuilhof, Han; Sue, Andrew C.-H.","Stereochemical Inversion of Rim-Differentiated Pillar[5]arene Molecular Swings","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01464","","","1.54184","CuKα","","0.0512","0.0464","","","0.1318","0.1388","","","","","","1.056","","","","has coordinates","255561","2020-10-21","18:00:00",""
"4038711","9.0613","0.001","17.674","0.002","20.106","0.002","90","","101.443","0.005","90","","3156","0.6","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H39 N O4 S -","- C37 H39 N O4 S -","- C148 H156 N4 O16 S4 -","4","1","","Wang, Junwei; Rong, Quanjin; Zhao, Lei; Pan, Xiang; Zhao, Lin; Zhao, Kun; Hu, Lihong","Synthesis of 1,4-Dihydroquinolines and 4<i>H</i>-Chromenes via Organocatalytic Domino Aza/Oxa-Michael/1,6-Addition Reactions of <i>para</i>-Quinone Methides and Ynals.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01315","","","1.34139","GaKα","","0.077","0.0534","","","0.1333","0.1458","","","","","","1.019","","","","has coordinates","255562","2020-10-21","18:00:00",""
"4038712","16.3776","0.0009","13.3941","0.0006","16.6146","0.0008","90","","92.047","0.005","90","","3642.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","methyl 7-carbamoyl-8-methyl-1,2,3,4,5,7,7a,8,12b,12c-decahydrocyclohepta[5,6] pyridazino[3,4-b]indole-12c-carboxylate","","- C19 H24 N4 O3 -","- C19 H24 N4 O3 -","- C152 H192 N32 O24 -","8","1","","Ciccolini, Cecilia; Mari, Giacomo; Gatti, Francesco G.; Gatti, Giuseppe; Giorgi, Gianluca; Mantellini, Fabio; Favi, Gianfranco","Synthesis of Polycyclic Fused Indoline Scaffolds through a Substrate-Guided Reactivity Switch.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01489","","","0.71073","MoKα","","0.0767","0.05","","","0.1085","0.1272","","","","","","1.014","","","","has coordinates,has disorder","255563","2020-10-21","18:00:00",""
"4038713","13.5467","0.0002","15.2671","0.0003","19.7699","0.0003","107.173","0.002","100.844","0.001","90.31","0.001","3828.64","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H108 I2 N10 Zn2 -","- C84 H108 I2 N10 Zn2 -","- C168 H216 I4 N20 Zn4 -","2","1","","Sahoo, Rajata Kumar; Mahato, Mamata; Jana, Achintya; Nembenna, Sharanappa","Zinc Hydride Catalyzed Hydrofuntionalization of Ketones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01285","","","1.54184","CuKα","","0.1511","0.1297","","","0.3321","0.3376","","","","","","1.697","","","","has coordinates","255610","2020-10-21","18:00:00",""
"4038714","8.8858","0.0004","9.5706","0.0006","23.3142","0.0011","90","","90","","90","","1982.7","0.18","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Cl F3 N O5 S -","- C18 H15 Cl F3 N O5 S -","- C72 H60 Cl4 F12 N4 O20 S4 -","4","1","","Duan, Hui-Xin; Zhang, Yongna; Zhang, Zhen-Zhen; Wang, You-Qing","C2-Symmetric 1,2-Diphenylethane-1,2-diamine Derived Primary-Tertiary Diamine Catalyzed Asymmetric Mannich Addition of Cyclic N-Sulfonyl Trifluoromethylated Ketimines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01446","","x-ray","1.54184","CuKα","","0.0524","0.0422","","","0.1072","0.1156","","","","","","1.028","","","","has coordinates","255632","2020-10-21","18:00:00",""
"4038715","9.6607","0.0009","11.0178","0.001","17.0785","0.0017","90","","90","","90","","1817.8","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dimethyl (2-hydroxy-2,6-dimethyl-5-nitro-4-phenyltetrahydro-2H-pyran-3-yl)phosphonate","","- C15 H22 N O7 P -","- C15 H22 N O7 P -","- C60 H88 N4 O28 P4 -","4","1","","Reznikov, Alexander N.; Nikerov, Dmitry S.; Sibiryakova, Anastasiya E.; Rybakov, Victor B.; Golovin, Evgeniy V.; Klimochkin, Yuri N.","Convenient access to pyrrolidin-3-ylphosphonic acids and tetrahydro-2H-pyran-3-ylphosphonates with multiple contiguous stereocenters from nonracemic adducts of a Ni(II)-catalyzed Michael reaction","Beilstein Journal of Organic Chemistry","2020","16","","2073","2079","10.3762/bjoc.16.174","","x-ray","1.54184","Cukα","","0.0402","0.0335","","","0.08","0.0835","","","","","","1.026","","","","has coordinates","258203","2020-10-21","18:00:00",""
"4038716","8.7209","0.0001","8.7209","0.0001","41.8621","0.0006","90","","90","","90","","3183.78","0.07","160","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C21 H19 O2 -","- C21 H20 O2 -","- C168 H160 O16 -","8","1","","Göricke, Fabian; Haseloff, Stefan; Laue, Michael; Schneider, Maximilian; Brumme, Thomas; Schneider, Christoph","Phosphoric Acid-Catalyzed Formation of Hydrogen-Bonded ortho-Quinone Methides. Enantioselective Cycloaddition with β-Dicarbonyl Compounds toward Benzannulated Oxygen Heterocycles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01375","","","1.54186","CuKα","","0.0295","0.0288","","","0.0971","0.0984","","","","","","0.939","","","","has coordinates","255670","2020-10-21","18:00:00",""
"4038717","5.5006","0.0001","17.2005","0.0002","17.2638","0.0002","90","","90","","90","","1633.38","0.04","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Br O3 -","- C20 H17 Br O3 -","- C80 H68 Br4 O12 -","4","1","","Göricke, Fabian; Haseloff, Stefan; Laue, Michael; Schneider, Maximilian; Brumme, Thomas; Schneider, Christoph","Phosphoric Acid-Catalyzed Formation of Hydrogen-Bonded ortho-Quinone Methides. Enantioselective Cycloaddition with β-Dicarbonyl Compounds toward Benzannulated Oxygen Heterocycles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01375","","","0.71073","MoKα","","0.0337","0.0271","","","0.0587","0.0617","","","","","","1.033","","","","has coordinates","255671","2020-10-21","18:00:00",""
"4038718","9.2907","0.0002","11.0841","0.0003","14.6284","0.0003","90","","90","","90","","1506.42","0.06","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Göricke, Fabian; Haseloff, Stefan; Laue, Michael; Schneider, Maximilian; Brumme, Thomas; Schneider, Christoph","Phosphoric Acid-Catalyzed Formation of Hydrogen-Bonded ortho-Quinone Methides. Enantioselective Cycloaddition with β-Dicarbonyl Compounds toward Benzannulated Oxygen Heterocycles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01375","","","0.71073","MoKα","","0.0608","0.0475","","","0.1004","0.1084","","","","","","1.03","","","","has coordinates","255672","2020-10-21","18:00:00",""
"4038719","15.7398","0.0002","18.1447","0.0002","16.4868","0.0002","90","","108.186","0.002","90","","4473.33","0.11","169.99","0.1","169.99","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 O5 -","- C25 H24 O4 -","- C200 H192 O32 -","8","1","","Li, Jing; Han, Xiao-Ni; Zhou, He-Ye; Han, Ying; Chen, Chuan-Feng","Helic[1]triptycene[3]arene: Synthesis, Complexation and Formation of [2]Rotaxane Shuttle.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01558","","x-ray","1.54184","CuKα","","0.0545","0.0484","","","0.13","0.1399","","","","","","1.08","","","","has coordinates","255673","2020-10-21","18:00:00",""
"4038720","13.3673","0.0001","25.6","0.0002","16.4937","0.0001","90","","90.467","0.001","90","","5644","0.07","170","0.11","170","0.11","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61 H66 Cl2 N2 O9 -","- C54 H52 N2 O8 -","- C216 H208 N8 O32 -","4","0.5","","Li, Jing; Han, Xiao-Ni; Zhou, He-Ye; Han, Ying; Chen, Chuan-Feng","Helic[1]triptycene[3]arene: Synthesis, Complexation and Formation of [2]Rotaxane Shuttle.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01558","","x-ray","1.54184","CuKα","","0.0484","0.0445","","","0.1229","0.126","","","","","","1.046","","","","has coordinates","255673","2020-10-21","18:00:00",""
"4038721","13.3833","0.0002","25.691","0.0005","16.512","0.0003","90","","89.7135","0.0016","90","","5677.26","0.17","170","0.14","170","0.14","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H50 N2 O8 -","- C54 H50 N2 O8 -","- C216 H200 N8 O32 -","4","0.5","","Li, Jing; Han, Xiao-Ni; Zhou, He-Ye; Han, Ying; Chen, Chuan-Feng","Helic[1]triptycene[3]arene: Synthesis, Complexation and Formation of [2]Rotaxane Shuttle.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01558","","x-ray","1.54184","CuKα","","0.0688","0.0582","","","0.166","0.1785","","","","","","1.054","","","","has coordinates","255673","2020-10-21","18:00:00",""
"4038722","13.4532","0.0001","25.5222","0.0002","16.7817","0.0001","90","","90.016","0.001","90","","5762.08","0.07","170","0.11","170","0.11","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 N2 O8 -","- C56 H56 N2 O8 -","- C224 H224 N8 O32 -","4","0.5","","Li, Jing; Han, Xiao-Ni; Zhou, He-Ye; Han, Ying; Chen, Chuan-Feng","Helic[1]triptycene[3]arene: Synthesis, Complexation and Formation of [2]Rotaxane Shuttle.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01558","","x-ray","1.54184","CuKα","","0.0689","0.0641","","","0.1711","0.1762","","","","","","1.042","","","","has coordinates","255673","2020-10-21","18:00:00",""
"4038723","13.3525","0.0002","25.8179","0.0004","16.7371","0.0002","90","","90.507","0.001","90","","5769.61","0.14","169.99","0.13","169.99","0.13","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H56 Br2 O8 -","- C54 H56 Br2 O8 -","- C216 H224 Br8 O32 -","4","0.5","","Li, Jing; Han, Xiao-Ni; Zhou, He-Ye; Han, Ying; Chen, Chuan-Feng","Helic[1]triptycene[3]arene: Synthesis, Complexation and Formation of [2]Rotaxane Shuttle.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01558","","x-ray","1.54184","CuKα","","0.078","0.0676","","","0.2183","0.2311","","","","","","1.073","","","","has coordinates,has disorder","255673","2020-10-21","18:00:00",""
"4038724","15.424","0.0005","9.5366","0.00019","17.1423","0.0005","90","","115.321","0.004","90","","2279.25","0.13","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H29 F O7 -","- C23 H29 F O7 -","- C92 H116 F4 O28 -","4","1","","Ding, Ya-Nan; Shi, Wei-Yu; Liu, Ce; Zheng, Nian; Li, Ming; An, Yang; Zhang, Zhe; Wang, Cui-Tian; Zhang, Bo-Sheng; Liang, Yong-Min","Palladium-Catalyzed ortho-C-H Glycosylation/ipso-Alkenylation of Aryl Iodides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01392","","x-ray","1.54184","CuKα","","0.0468","0.0439","","","0.1215","0.1261","","","","","","1.082","","","","has coordinates,has disorder","255674","2020-10-21","18:00:00",""
"4038725","18.9995","0.0004","26.206","0.0008","35.374","0.0009","90","","96.956","0.002","90","","17483.1","0.8","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52.75 H39.5 Cl3.5 F2 N2 Pd -","- C52.75 H39.5 Cl3.5 F2 N2 Pd -","- C844 H632 Cl56 F32 N32 Pd16 -","16","4","","Yang, Xu-Wen; Li, Dong-Hui; Song, A-Xiang; Liu, Feng-Shou","""Bulky-Yet-Flexible"" α-Diimine Palladium-Catalyzed Reductive Heck Cross-Coupling: Highly Anti-Markovnikov-Selective Hydroarylation of Alkene in Air.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01509","","x-ray","0.71073","MoKα","","0.097","0.0523","","","0.1028","0.1278","","","","","","1.04","","","","has coordinates","255766","2020-10-21","18:00:00",""
"4038726","12.0249","0.0009","14.3002","0.0004","21.4777","0.0005","96.356","0.002","92.889","0.005","91.174","0.005","3664.6","0.3","100.02","0.1","100.02","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C80 H64 Cl6 N2 Pd -","- C80 H64 Cl6 N2 Pd -","- C160 H128 Cl12 N4 Pd2 -","2","1","","Yang, Xu-Wen; Li, Dong-Hui; Song, A-Xiang; Liu, Feng-Shou","""Bulky-Yet-Flexible"" α-Diimine Palladium-Catalyzed Reductive Heck Cross-Coupling: Highly Anti-Markovnikov-Selective Hydroarylation of Alkene in Air.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01509","","x-ray","1.54184","CuKα","","0.0951","0.0833","","","0.1504","0.205","","","","","","1.02","","","","has coordinates","255766","2020-10-21","18:00:00",""
"4038727","7.9886","0.0002","9.9248","0.0002","16.34","0.0004","90","","90","","90","","1295.52","0.05","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19.44 O3 -","- C15 H19.444 O3 -","- C60 H77.776 O12 -","4","1","","Shao, Hui; Wang, Yun-Peng; Fang, Kun; Zhao, Yu-Ming; Tu, Yong-Qiang","Total Synthesis of Sieboldine A.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01660","","","1.54178","CuKα","","0.0425","0.0408","","","0.1348","0.1372","","","","","","1.241","","","","has coordinates,has disorder","255852","2020-10-21","18:00:00",""
"4038728","12.849","0.0002","11.07235","0.00014","13.347","0.0002","90","","103.715","0.0017","90","","1844.71","0.05","292","1","292","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F0.25 N O6 -","- C21 H18 F2 N2 O3 -","- C84 H72 F8 N8 O12 -","4","1","","Liu, Liang; Yang, De-Yong; He, Yan-Hong; Guan, Zhi","Redox-Neutral Photocatalytic Radical Cascade Cyclization for the Synthesis of CH<sub>2</sub>CN/CF<sub>2</sub>COOEt/CF<sub>3</sub>-Containing Benzo[4,5]imidazo[2,1-<i>a</i>]isoquinolin-6(5<i>H</i>)-One Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01688","","x-ray","1.54184","CuKα","","0.0445","0.0393","","","0.1038","0.1093","","","","","","1.034","","","","has coordinates,has disorder","255853","2020-10-21","18:00:00",""
"4038729","9.2794","0.0005","9.3445","0.0005","10.356","0.0004","89.2189","0.0018","89.7152","0.0019","82.646","0.002","890.51","0.08","279","2","279","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H8 N2 S -","- C10 H8 N2 S -","- C40 H32 N8 S4 -","4","2","","Wang, Haofeng; Wu, Xin; Wang, Luyu; Li, Erfei; Li, Xiaoyu; Tong, Tao; Kang, Honglan; Xie, Jian-Wu; Shen, Guodong; Lv, Xin","One-Pot Synthesis of Benzimidazo[2,1-b]thiazoline Derivatives through An Addition/Cyclization/Oxidative Coupling Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01137","","","0.71073","MoKα","","0.0428","0.0376","","","0.1027","0.1081","","","","","","1.018","","","","has coordinates","255854","2020-10-21","18:00:00",""
"4038730","8.1688","0.0003","8.8842","0.0003","20.4503","0.0005","90","","90","","90","","1484.14","0.08","293.73","0.18","293.73","0.18","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 Br N2 O3 -","- C16 H11 Br N2 O3 -","- C64 H44 Br4 N8 O12 -","4","1","","Dong, Xiaodi; Tang, Zhishun; Ye, Ling; Shi, Zhichuan; Zhao, Zhigang; Li, Xuefeng","Stereoselective Synthesis of Dihydrofuranoindoles via the Friedel-Crafts Alkylation/Annulation Cascade Process.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00444","","x-ray","1.54184","CuKα","","0.0536","0.0505","","","0.1345","0.1402","","","","","","1.029","","","","has coordinates","255903","2020-10-21","18:00:00",""
"4038731","11.6904","0.0002","14.6998","0.0004","11.3235","0.0002","90","","91.493","0.002","90","","1945.24","0.07","230","0.1","230","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H20 N O4 P S -","- C21 H20 N O4 P S -","- C84 H80 N4 O16 P4 S4 -","4","1","","Luo, Wenjun; Wang, Zhenguo; Cao, Xiaohui; Liang, Dacheng; Wei, Mingjie; Yin, Keshu; Li, Le","Construction of Benzo-1,2,3-thiazaphosphole Heterocycles by Annulations of ortho-Phosphinoarenesulfonyl Fluorides with Trimethylsilyl Azide","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01309","","x-ray","0.71073","MoKα","","0.0366","0.0324","","","0.0822","0.0865","","","","","","1.047","","","","has coordinates","255904","2020-10-21","18:00:00",""
"4038732","11.7479","0.0004","13.1447","0.0004","16.1419","0.0006","90","","108.509","0.004","90","","2363.74","0.15","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N5 P -","- C24 H36 N5 P -","- C96 H144 N20 P4 -","4","1","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiia N.; Shishkina, Svitlana; Rusanov, Eduard; Kostyuk, Aleksandr","Ring Enlargement of <i>N</i>-Phosphanyl-1,2,3,4-tetrahydroquinazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00750","","x-ray","0.71073","MoKα","","0.0672","0.0498","","","0.1147","0.1238","","","","","","1.032","","","","has coordinates","255931","2020-10-21","18:00:00",""
"4038733","7.4743","0.0002","16.7492","0.0003","9.742","0.0002","90","","111.695","0.001","90","","1133.2","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H34 N5 P -","- C23 H34 N5 P -","- C46 H68 N10 P2 -","2","1","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiia N.; Shishkina, Svitlana; Rusanov, Eduard; Kostyuk, Aleksandr","Ring Enlargement of <i>N</i>-Phosphanyl-1,2,3,4-tetrahydroquinazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00750","","","0.71073","MoKα","","0.0373","0.0333","","","0.0767","0.0785","","","","","","1.055","","","","has coordinates","255932","2020-10-21","18:00:00",""
"4038734","26.9636","0.0007","26.9636","0.0007","9.7516","0.0005","90","","90","","90","","7089.8","0.4","296","2","296","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C17 H29 N2 P -","- C17 H29 N2 P -","- C272 H464 N32 P16 -","16","2","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiia N.; Shishkina, Svitlana; Rusanov, Eduard; Kostyuk, Aleksandr","Ring Enlargement of <i>N</i>-Phosphanyl-1,2,3,4-tetrahydroquinazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00750","","","0.71073","MoKα","","0.0768","0.0461","","","0.1202","0.1324","","","","","","1.028","","","","has coordinates","255933","2020-10-21","18:00:00",""
"4038735","7.0785","0.0006","30.538","0.002","8.6896","0.0008","90","","93.553","0.003","90","","1874.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H31 N4 P -","- C18 H31 N4 P -","- C72 H124 N16 P4 -","4","1","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiia N.; Shishkina, Svitlana; Rusanov, Eduard; Kostyuk, Aleksandr","Ring Enlargement of <i>N</i>-Phosphanyl-1,2,3,4-tetrahydroquinazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00750","","","0.71073","MoKα","","0.065","0.048","","","0.1052","0.1125","","","","","","1.056","","","","has coordinates","255934","2020-10-21","18:00:00",""
"4038736","31.461","0.005","32.311","0.004","7.4331","0.0009","90","","90","","90","","7556","1.8","123","2","123","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C28 H19 N -","- C28 H19 N -","- C448 H304 N16 -","16","2","","Molenda, Ricardo; Boldt, Sebastian; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis of 2-Azapyrenes and Their Photophysical and Electrochemical Properties.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01622","","","0.71073","MoKα","","0.0789","0.0461","","","0.1033","0.1248","","","","","","1.02","","","","has coordinates,has disorder","256311","2020-10-21","18:00:00",""
"4038737","27.2097","0.001","4.6842","0.0001","18.3065","0.0007","90","","105.415","0.001","90","","2249.33","0.13","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H17 F6 N -","- C30 H17 F6 N -","- C120 H68 F24 N4 -","4","1","","Molenda, Ricardo; Boldt, Sebastian; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis of 2-Azapyrenes and Their Photophysical and Electrochemical Properties.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01622","","","0.71073","MoKα","","0.0735","0.0454","","","0.107","0.1215","","","","","","1.016","","","","has coordinates","256312","2020-10-21","18:00:00",""
"4038738","10.7042","0.0001","10.7042","0.0001","30.0297","0.0004","90","","90","","90","","3440.8","0.06","99.8","0.8","99.8","0.8","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C152 H176 O32 -","8","1","","Zhong, Weimao; Chen, Yuchan; Mai, Zhimao; Wei, Xiaoyi; Wang, Junfeng; Zeng, Qi; Chen, Xiayu; Tian, Xinpeng; Zhang, Weimin; Wang, Fazuo; Zhang, Si","Euroticins A and B, Two Pairs of Highly Constructed Salicylaldehyde Derivative Enantiomers from a Marine-Derived Fungus Eurotium sp. SCSIO F452","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01407","","x-ray","1.54184","CuKα","","0.0448","0.0407","","","0.1095","0.1125","","","","","","1.089","","","","has coordinates","256313","2020-10-21","18:00:00",""
"4038739","7.7605","0.0001","9.6596","0.0001","11.3533","0.0001","90","","101.556","0.001","90","","833.829","0.016","99.9","0.8","99.9","0.8","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Zhong, Weimao; Chen, Yuchan; Mai, Zhimao; Wei, Xiaoyi; Wang, Junfeng; Zeng, Qi; Chen, Xiayu; Tian, Xinpeng; Zhang, Weimin; Wang, Fazuo; Zhang, Si","Euroticins A and B, Two Pairs of Highly Constructed Salicylaldehyde Derivative Enantiomers from a Marine-Derived Fungus Eurotium sp. SCSIO F452","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01407","","x-ray","1.54184","CuKα","","0.0292","0.0289","","","0.0766","0.0768","","","","","","1.05","","","","has coordinates","256314","2020-10-21","18:00:00",""
"4038740","8.406","0.0005","8.466","0.0007","14.6974","0.001","89.549","0.006","77.343","0.005","66.477","0.007","932.01","0.13","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H12 B Br F4 O2 -","- C23 H12 B Br F4 O2 -","- C46 H24 B2 Br2 F8 O4 -","2","1","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","","1.54184","CuKα","","0.0527","0.048","","","0.1347","0.1402","","","","","","1.057","","","","has coordinates","257152","2020-10-21","18:00:00",""
"4038741","8.8561","0.0005","9.3777","0.0005","14.1453","0.0005","91.724","0.004","98.862","0.004","116.907","0.006","1028.42","0.11","290.56","0.1","290.56","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H14 B Br F4 O3 -","- C24 H14 B Br F3.9996 O3 -","- C48 H28 B2 Br2 F7.9992 O6 -","2","1","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","x-ray","1.54184","CuKα","","0.0397","0.0347","","","0.0917","0.0959","","","","","","1.034","","","","has coordinates,has disorder","257152","2020-10-21","18:00:00",""
"4038742","12.7765","0.0003","16.0668","0.0006","17.3836","0.0007","77.279","0.004","80.071","0.003","80.432","0.003","3398.1","0.2","179.95","0.1","179.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 B Br F4 N2 -","- C29 H26 B Br F4 N2 -","- C116 H104 B4 Br4 F16 N8 -","4","2","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","x-ray","1.54184","CuKα","","0.072","0.0619","","","0.1771","0.1909","","","","","","1.03","","","","has coordinates","257152","2020-10-21","18:00:00",""
"4038743","7.7507","0.0004","12.3048","0.0005","13.5177","0.0008","104.972","0.005","95.439","0.004","94.459","0.004","1232.8","0.11","179.95","0.1","179.95","0.1","","","","","","","","8","P 1","P 1","1","","","","- C55 H44 B2 Br2 Cl2 F8 N2 O4 -","- C55 H44 B2 Br2 Cl2 F8 N2 O4 -","- C55 H44 B2 Br2 Cl2 F8 N2 O4 -","1","1","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","x-ray","1.5418","CuKα","","0.0694","0.0651","","","0.1789","0.1829","","","","","","1.053","","","","has coordinates,has disorder","257152","2020-10-21","18:00:00",""
"4038744","20.2508","0.0003","4.24318","0.00007","19.0965","0.0003","90","","106.186","0.0017","90","","1575.88","0.04","180.15","","180.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H11 Br O3 -","- C23 H11 Br O3 -","- C92 H44 Br4 O12 -","4","1","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","x-ray","1.54184","CuKα","","0.0337","0.03","","","0.0782","0.0817","","","","","","1.026","","","","has coordinates","257152","2020-10-21","18:00:00",""
"4038745","8.9485","0.0003","21.3763","0.0005","13.2147","0.0003","90","","99.059","0.003","90","","2496.25","0.12","290","","290","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 Br N O4 -","- C29 H28 Br N O4 -","- C116 H112 Br4 N4 O16 -","4","1","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","x-ray","0.71073","MoKα","","0.0845","0.048","","","0.1038","0.1185","","","","","","1.026","","","","has coordinates","257152","2020-10-21","18:00:00",""
"4038746","9.9075","0.0007","11.5025","0.0007","12.5629","0.0008","110.42","0.006","95.401","0.005","112.56","0.006","1195.28","0.17","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Br Cl2 N O2 -","- C28 H24 Br Cl2 N O2 -","- C56 H48 Br2 Cl4 N2 O4 -","2","1","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","x-ray","1.54184","CuKα","","0.0509","0.0496","","","0.1321","0.1338","","","","","","1.056","","","","has coordinates","257152","2020-10-21","18:00:00",""
"4038747","30.4299","0.0004","8.50556","0.00007","22.1713","0.0003","90","","112.626","0.0016","90","","5296.81","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H25 N3 O4 S -","- C30 H25 N3 O4 S -","- C240 H200 N24 O32 S8 -","8","1","","Yuan, Wei-Cheng; Quan, Bao-Xue; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Zhou, Ming-Qiang","[4 + 2] Annulation Reaction of <i>In Situ</i> Generated Azoalkenes with Azlactones: Access to 4,5-Dihydropyridazin-3(2<i>H</i>)-Ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01592","","x-ray","1.54184","CuKα","","0.0599","0.0517","","","0.1409","0.1518","","","","","","1.044","","","","has coordinates,has disorder","256316","2020-10-21","18:00:00",""
"4038748","5.422","0.0003","8.6988","0.0005","12.1636","0.0007","90","","94.341","0.004","90","","572.05","0.06","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 F2 O2 -","- C5 H6 F2 O2 -","- C20 H24 F8 O8 -","4","1","","Chernykh, Anton V.; Olifir, Oleksandr S.; Kuchkovska, Yuliya O.; Volochnyuk, Dmitriy M.; Yarmolchuk, Vladimir S.; Grygorenko, Oleksandr O.","Fluoroalkyl-Substituted Cyclopropane Derivatives: Synthesis and Physicochemical Properties.","The Journal of organic chemistry","2020","85","19","12692","12702","10.1021/acs.joc.0c01848","","","0.71073","MoKα","","0.0757","0.0468","","","0.0907","0.0994","","","","","","1.194","","","","has coordinates","257127","2020-10-21","18:00:00",""
"4038749","5.1598","0.0009","11.2723","0.0017","17.688","0.003","90","","93.058","0.007","90","","1027.3","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 F3 N O -","- C11 H10 F3 N O -","- C44 H40 F12 N4 O4 -","4","1","","Chernykh, Anton V.; Olifir, Oleksandr S.; Kuchkovska, Yuliya O.; Volochnyuk, Dmitriy M.; Yarmolchuk, Vladimir S.; Grygorenko, Oleksandr O.","Fluoroalkyl-Substituted Cyclopropane Derivatives: Synthesis and Physicochemical Properties.","The Journal of organic chemistry","2020","85","19","12692","12702","10.1021/acs.joc.0c01848","","","0.71073","MoKα","","0.0935","0.0516","","","0.114","0.1321","","","","","","1.017","","","","has coordinates","257127","2020-10-21","18:00:00",""
"4038750","6.0157","0.0004","7.4732","0.0004","7.6279","0.0004","106.605","0.004","105.053","0.004","91.961","0.004","315.16","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H8 Cl F2 N -","- C4 H8 Cl F2 N -","- C8 H16 Cl2 F4 N2 -","2","1","","Chernykh, Anton V.; Olifir, Oleksandr S.; Kuchkovska, Yuliya O.; Volochnyuk, Dmitriy M.; Yarmolchuk, Vladimir S.; Grygorenko, Oleksandr O.","Fluoroalkyl-Substituted Cyclopropane Derivatives: Synthesis and Physicochemical Properties.","The Journal of organic chemistry","2020","85","19","12692","12702","10.1021/acs.joc.0c01848","","","0.71073","MoKα","","0.0472","0.0401","","","0.1391","0.1447","","","","","","1.012","","","","has coordinates","257127","2020-10-21","18:00:00",""
"4038751","8.6036","0.0013","11.7912","0.0019","21.27","0.003","90","","90","","90","","2157.8","0.6","173","1","173","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H10 F3 N O -","- C11 H10 F3 N O -","- C88 H80 F24 N8 O8 -","8","1","","Chernykh, Anton V.; Olifir, Oleksandr S.; Kuchkovska, Yuliya O.; Volochnyuk, Dmitriy M.; Yarmolchuk, Vladimir S.; Grygorenko, Oleksandr O.","Fluoroalkyl-Substituted Cyclopropane Derivatives: Synthesis and Physicochemical Properties.","The Journal of organic chemistry","2020","85","19","12692","12702","10.1021/acs.joc.0c01848","","","0.71073","MoKα","","0.1215","0.0633","","","0.1364","0.164","","","","","","1.01","","","","has coordinates","257127","2020-10-21","18:00:00",""
"4038752","25.037","0.004","26.193","0.004","7.1427","0.0012","90","","90","","90","","4684.1","1.3","296","2","296.15","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C208 H208 N16 O64 -","16","1","","Zhang, Sheng; Li, He; Yamamoto, Yoshinori; Bao, Ming","Synthesis of 1H-Indole-2,3-dicarboxylates via Rhodium-catalyzed C-H Annulation of Arylhydrazines with Maleates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01727","","","0.71073","MoKα","","0.0603","0.0443","","","0.0924","0.0998","","","","","","1.034","","","","has coordinates","256367","2020-10-21","18:00:00",""
"4038753","7.3094","0.0003","11.286","0.0005","18.0876","0.0008","90","","90","","90","","1492.12","0.11","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 F N2 O2 S -","- C13 H9 F N2 O2 S -","- C52 H36 F4 N8 O8 S4 -","4","1","","Nguyen, Thi Mo; Cao, Hoang Anh; Thuong Cao, Thi Thuong; Koyama, Satoki; Mac, Dinh Hung; Nguyen, Thanh Binh","Access to [2,1]Benzothiazine <i>S</i>,<i>S</i>-Dioxides from β-Substituted <i>o</i>-Nitrostyrenes and Sulfur.","The Journal of organic chemistry","2020","85","19","12058","12066","10.1021/acs.joc.0c00918","","","0.71073","MoKα","","0.1037","0.0599","","","0.1873","0.229","","","","","","0.853","","","","has coordinates","257126","2020-10-21","18:00:00",""
"4038754","19.2656","0.0016","33.47","0.003","7.2379","0.0006","90","","90","","90","","4667.1","0.7","273","2","273","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C13 H9 F N2 O2 S -","- C13 H9 F N2 O2 S -","- C208 H144 F16 N32 O32 S16 -","16","1","","Nguyen, Thi Mo; Cao, Hoang Anh; Thuong Cao, Thi Thuong; Koyama, Satoki; Mac, Dinh Hung; Nguyen, Thanh Binh","Access to [2,1]Benzothiazine <i>S</i>,<i>S</i>-Dioxides from β-Substituted <i>o</i>-Nitrostyrenes and Sulfur.","The Journal of organic chemistry","2020","85","19","12058","12066","10.1021/acs.joc.0c00918","","","0.71073","MoKα","","0.0455","0.0363","","","0.0835","0.0876","","","","","","1.06","","","","has coordinates","257126","2020-10-21","18:00:00",""
"4038755","13.453","0.003","4.8445","0.0013","19.075","0.005","90","","99.076","0.005","90","","1227.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 Br N2 S -","- C14 H7 Br N2 S -","- C56 H28 Br4 N8 S4 -","4","1","","Sodre, Elaine R.; Guido, Bruna C.; de Souza, Paulo E. N.; Machado, Daniel F. S.; Carvalho-Silva, Valter H; Chaker, Juliano A.; Gatto, Claudia C.; Correa, Jose R.; Fernandes, Talita de A; Neto, Brenno A. D.","Deciphering the Dynamics of Organic Nanoaggregates with AIEE Effect and Excited States: Lipophilic Benzothiadiazole Derivatives as Selective Cell Imaging Probes.","The Journal of organic chemistry","2020","85","19","12614","12634","10.1021/acs.joc.0c01805","","","0.71073","MoKα","","0.0763","0.0361","","","0.0783","0.0943","","","","","","1.052","","","","has coordinates","257129","2020-10-21","18:00:00",""
"4038756","12.0548","0.0017","10.6734","0.0015","13.4266","0.0019","90","","97.826","0.003","90","","1711.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 N2 S -","- C22 H12 N2 S -","- C88 H48 N8 S4 -","4","1","","Sodre, Elaine R.; Guido, Bruna C.; de Souza, Paulo E. N.; Machado, Daniel F. S.; Carvalho-Silva, Valter H; Chaker, Juliano A.; Gatto, Claudia C.; Correa, Jose R.; Fernandes, Talita de A; Neto, Brenno A. D.","Deciphering the Dynamics of Organic Nanoaggregates with AIEE Effect and Excited States: Lipophilic Benzothiadiazole Derivatives as Selective Cell Imaging Probes.","The Journal of organic chemistry","2020","85","19","12614","12634","10.1021/acs.joc.0c01805","","","0.71073","MoKα","","0.0794","0.0448","","","0.1027","0.1235","","","","","","1.022","","","","has coordinates","257129","2020-10-21","18:00:00",""
"4038757","6.8494","0.0004","10.5416","0.0007","11.8942","0.0008","78.408","0.002","89.07","0.002","86.152","0.002","839.39","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 Br F N O2 -","- C18 H17 Br F N O2 -","- C36 H34 Br2 F2 N2 O4 -","2","1","","Zhang, Lili; Deng, Kezuan; Wu, Gaorong; Yang, Jinyue; Tang, Shibiao; Fu, Xiaopan; Xia, Chengcai; Ji, Yafei","Ruthenium(II)-Catalyzed α-Fluoroalkenylation of Oxime Ethers with <i>gem</i>-Difluorostyrenes <i>via</i> C-H Activation and C-F Cleavage.","The Journal of organic chemistry","2020","85","19","12670","12681","10.1021/acs.joc.0c01842","","","0.71073","MoKα","","0.0396","0.0317","","","0.0855","0.0905","","","","","","1.039","","","","has coordinates","257139","2020-10-21","18:00:00",""
"4038758","31.5424","0.0007","8.3838","0.0002","11.996","0.0003","90","","90","","90","","3172.28","0.13","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C78 H68 O8 Rh2 -","- C78 H68 O8 Rh2 -","- C156 H136 O16 Rh4 -","2","0.5","","Wertz, Benjamin; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Davies, Huw M. L.","Comparison of 1,2-Diarylcyclopropanecarboxylates with 1,2,2-Triarylcyclopropanecarboxylates as Chiral Ligands for Dirhodium-Catalyzed Cyclopropanation and C-H Functionalization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01276","","","1.54178","CuKα","","0.0482","0.0389","","","0.0802","0.0866","","","","","","1.065","","","","has coordinates,has disorder","256465","2020-10-21","18:00:00",""
"4038759","9.896","0.0002","21.172","0.0004","14.8082","0.0003","90","","100.901","0.002","90","","3046.6","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H64 N4 O8 Rh2 -","- C72 H64 N4 O8 Rh2 -","- C144 H128 N8 O16 Rh4 -","2","1","","Wertz, Benjamin; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Davies, Huw M. L.","Comparison of 1,2-Diarylcyclopropanecarboxylates with 1,2,2-Triarylcyclopropanecarboxylates as Chiral Ligands for Dirhodium-Catalyzed Cyclopropanation and C-H Functionalization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01276","","x-ray","0.71073","MoKα","","0.0197","0.0192","","","0.0488","0.049","","","","","","1.029","","","","has coordinates","256466","2020-10-21","18:00:00",""
"4038760","16.21","0.0004","19.2876","0.0004","25.619","0.0006","90","","90","","90","","8009.8","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C87 H71 Br8 N O8 Rh2 -","- C87 H71 Br8 N O8 Rh2 -","- C348 H284 Br32 N4 O32 Rh8 -","4","1","","Wertz, Benjamin; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Davies, Huw M. L.","Comparison of 1,2-Diarylcyclopropanecarboxylates with 1,2,2-Triarylcyclopropanecarboxylates as Chiral Ligands for Dirhodium-Catalyzed Cyclopropanation and C-H Functionalization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01276","","x-ray","0.71073","MoKα","","0.0582","0.0418","","","0.0829","0.089","","","","","","1.0386","","","","has coordinates","256467","2020-10-21","18:00:00",""
"4038761","9.8716","0.0008","18.221","0.003","18.301","0.002","90","","91.066","0.01","90","","3291.2","0.7","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H58 N2 O8 Rh2 -","- C68 H58 N2 O8 Rh2 -","- C136 H116 N4 O16 Rh4 -","2","1","","Wertz, Benjamin; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Davies, Huw M. L.","Comparison of 1,2-Diarylcyclopropanecarboxylates with 1,2,2-Triarylcyclopropanecarboxylates as Chiral Ligands for Dirhodium-Catalyzed Cyclopropanation and C-H Functionalization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01276","","x-ray","1.54184","CuKα","","0.1024","0.0689","","","0.1717","0.189","","","","","","1.0319","","","","has coordinates","256468","2020-10-21","18:00:00",""
"4038762","13.7554","0.0019","7.8485","0.0007","18.5","0.003","90","","110.617","0.017","90","","1869.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N O2 S2 -","- C23 H15 N O2 S2 -","- C92 H60 N4 O8 S8 -","4","1","","Chen, Xia; Zhang, Lianpeng; Wang, Yuzhe; Qiu, Guanyinsheng; Liang, Qinghui; Zhou, Hongwei","Copper-Catalyzed Tandem Radical Cyclization of 8-Ethynyl-1-naphthyl-amines for the Synthesis of 2<i>H</i>-Benzo[<i>e</i>][1,2]thiazine 1,1-Dioxides and its Fluorescence Properties.","The Journal of organic chemistry","2020","85","19","12526","12534","10.1021/acs.joc.0c01725","","x-ray","0.71073","MoKα","","0.1082","0.0772","","","0.2327","0.2639","","","","","","1.041","","","","has coordinates","257140","2020-10-21","18:00:00",""
"4038763","20.058","0.004","14.261","0.003","6.1046","0.001","90","","91.741","0.012","90","","1745.4","0.6","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 F O3 -","- C20 H21 F O3 -","- C80 H84 F4 O12 -","4","1","","Wang, Shifang; Liu, Xiaowei; Zhu, Dongsheng; Wang, Mang","Copper-Catalyzed Ring-Opening Defluorinative Alkylation of Siloxydifluorocyclopropanes: Synthesis of γ-Fluoro-δ-Ketoesters and γ,δ-Diketonitriles.","The Journal of organic chemistry","2020","85","19","12408","12417","10.1021/acs.joc.0c01643","","x-ray","1.54178","CuKα","","0.1192","0.0618","","","0.1216","0.1416","","","","","","1.033","","","","has coordinates","257145","2020-10-21","18:00:00",""
"4038764","5.942","0.0006","26.684","0.003","9.9612","0.0011","90","","104.342","0.011","90","","1530.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","Wang, Shifang; Liu, Xiaowei; Zhu, Dongsheng; Wang, Mang","Copper-Catalyzed Ring-Opening Defluorinative Alkylation of Siloxydifluorocyclopropanes: Synthesis of γ-Fluoro-δ-Ketoesters and γ,δ-Diketonitriles.","The Journal of organic chemistry","2020","85","19","12408","12417","10.1021/acs.joc.0c01643","","","0.71073","MoKα","","0.0951","0.0555","","","0.1125","0.1343","","","","","","1.053","","","","has coordinates","257145","2020-10-21","18:00:00",""
"4038765","10.906","0.0006","13.6614","0.0007","16.6806","0.0009","90","","90","","90","","2485.3","0.2","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","O-4-Chloro-2-(((4-methylphenyl)sulfonamido)(phenyl)methyl)phenyl N,N-diethylcarbamate","","- C25 H27 Cl N2 O4 S -","- C25 H27 Cl N2 O4 S -","- C100 H108 Cl4 N8 O16 S4 -","4","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0496","0.0392","","","0.0807","0.0864","","","","","","1.098","","","","has coordinates","257128","2020-10-21","18:00:00",""
"4038766","8.596","0.003","10.656","0.004","11.508","0.004","107.17","0.004","97.829","0.004","103.488","0.004","955.2","0.6","298","2","298","","","","","","","","","5","P -1","-P 1","2","","O-4-Methoxy-2-(phenylcarbamothioyl)phenyl N,N-diethylcarbamate","","- C19 H22 N2 O3 S -","- C19 H22 N2 O3 S -","- C38 H44 N4 O6 S2 -","2","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0534","0.0453","","","0.127","0.1336","","","","","","1.054","","","","has coordinates","257128","2020-10-21","18:00:00",""
"4038767","13.8795","0.0016","11.3828","0.0013","23.518","0.003","90","","90","","90","","3715.6","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","O-4-Chloro-2-((3-chlorophenyl)carbamoyl)phenyl N,N-diethylcarbamate","","- C18 H18 Cl2 N2 O3 -","- C18 H18 Cl2 N2 O3 -","- C144 H144 Cl16 N16 O24 -","8","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0627","0.0416","","","0.1067","0.1207","","","","","","1.022","","","","has coordinates,has disorder","257128","2020-10-21","18:00:00",""
"4038768","9.495","0.007","15.333","0.011","14.547","0.01","90","","100.886","0.012","90","","2080","3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1-diethyl-3-((2-hydroxyphenyl)(phenyl)methyl)-3-phenylurea","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C96 H104 N8 O8 -","4","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0869","0.0499","","","0.101","0.1104","","","","","","0.955","","","","has coordinates","257128","2020-10-21","18:00:00",""
"4038769","12.1225","0.0006","12.8572","0.0006","15.2915","0.0008","90","","92.451","0.002","90","","2381.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","o-(E)-4-Chloro-2-(N,N'-di-p-tolylcarbamimidoyl)phenyl N,N-diethylcarbamate (","","- C26 H28 Cl N3 O2 -","- C26 H28 Cl N3 O2 -","- C104 H112 Cl4 N12 O8 -","4","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0448","0.0383","","","0.0829","0.0875","","","","","","1.084","","","","has coordinates","257128","2020-10-21","18:00:00",""
"4038770","10.4657","0.0018","15.208","0.003","19.367","0.004","90","","100.511","0.009","90","","3030.8","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1-diethyl-3-(1-(2-hydroxyphenyl)-2-methylprop-1-en-1-yl)urea","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C120 H176 N16 O16 -","8","2","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0509","0.0435","","","0.0995","0.1044","","","","","","1.093","","","","has coordinates","257128","2020-10-21","18:00:00",""
"4038771","8.066","0.002","15.096","0.004","14.762","0.003","90","","104.125","0.016","90","","1743.1","0.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","O-(E)-N-(Diethylcarbamoyl)-2-hydroxy-N,N'-diisopropylbenzimidamide","","- C18 H29 N3 O2 -","- C18 H29 N3 O2 -","- C72 H116 N12 O8 -","4","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0706","0.0532","","","0.122","0.1364","","","","","","1.069","","","","has coordinates","257128","2020-10-21","18:00:00",""
"4038772","9.244","0.0006","12.1783","0.0008","16.9973","0.0011","88.74","0.004","82.005","0.004","79.455","0.004","1862.9","0.2","283","2","283","2","","","","","","","","7","P -1","-P 1","2","","O-4-Chloro-2-((2-fluorophenyl)carbamothioyl)phenyl N,N-diethylcarbamate","","- C18 H17 Cl F N2 O2 S -","- C18 H17.3415 Cl F0.9885 N2 O2 S -","- C72 H69.366 Cl4 F3.954 N8 O8 S4 -","4","2","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.1003","0.0599","","","0.1043","0.1202","","","","","","1.08","","","","has coordinates,has disorder","257128","2020-10-21","18:00:00",""
"4038773","9.5051","0.0018","8.8409","0.0018","20.79","0.004","90","","90.242","0.003","90","","1747","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H25 N3 O7 -","- C14 H25 N3 O7 -","- C56 H100 N12 O28 -","4","2","","Richaud, Alexis D.; Roche, Stéphane P","Structure-Property Relationship Study of <i>N</i>-(Hydroxy)Peptides for the Design of Self-Assembled Parallel β-Sheets.","The Journal of organic chemistry","2020","85","19","12329","12342","10.1021/acs.joc.0c01441","","x-ray","0.41328","synchrotron","","0.1055","0.0689","","","0.1604","0.1873","","","","","","1.009","","","","has coordinates","257134","2020-10-21","18:00:00",""
"4038774","6.5847","0.0007","8.4285","0.0009","9.4274","0.0011","89.0396","0.0017","72.6274","0.0016","80.7426","0.0017","492.57","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H12 N2 S -","- C11 H12 N2 S -","- C22 H24 N4 S2 -","2","1","","Geng, Xinyu; Liu, Siyuan; Wang, Wenyao; Qu, Jingping; Wang, Baomin","<i>tert</i>-Amino Effect-Promoted Rearrangement of Aryl Isothiocyanate: A Versatile Approach to Benzimidazothiazepines and Benzimidazothioethers.","The Journal of organic chemistry","2020","85","19","12635","12643","10.1021/acs.joc.0c01806","","","0.71073","MoKα","","0.0342","0.0303","","","0.0791","0.0815","","","","","","1.002","","","","has coordinates","257136","2020-10-21","18:00:00",""
"4038775","8.1574","0.0004","13.7272","0.0006","20.3329","0.0011","90","","90","","90","","2276.84","0.19","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 O7 -","- C25 H32 O7 -","- C100 H128 O28 -","4","1","","Chen, Shu-Rong; Wang, Shih-Wei; Sheu, Jyh-Horng; Chang, Ting-Hsuan; Cheng, Yuan-Bin","Zoanthamine Alkaloid Derivatives from the Zoantharian <i>Zoanthus vietnamensis</i> with Antimetastatic Activity.","The Journal of organic chemistry","2020","85","19","12553","12560","10.1021/acs.joc.0c01731","","","1.54178","CuKα","","0.1192","0.0714","","","0.1704","0.221","","","","","","0.917","","","","has coordinates","257141","2020-10-21","18:00:00",""
"4038776","8.9799","0.0006","10.3963","0.0007","15.1711","0.001","96.679","0.002","97.41","0.002","106.252","0.002","1331","0.15","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 N2 O4 S -","- C32 H26 N2 O4 S -","- C64 H52 N4 O8 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.0695","0.0555","","","0.1523","0.1631","","","","","","1.028","","","","has coordinates,has disorder","257146","2020-10-21","18:00:00",""
"4038777","14.3741","0.0017","11.5458","0.001","17.6215","0.0017","90","","97.324","0.004","90","","2900.6","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 N2 O5 S -","- C36 H28 N2 O5 S -","- C144 H112 N8 O20 S4 -","4","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.1292","0.1042","","","0.2682","0.2864","","","","","","1.097","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038778","8.9949","0.0007","12.2989","0.001","12.9055","0.0011","63.957","0.003","71.155","0.003","75.637","0.003","1204.46","0.17","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N2 O4 S -","- C24 H18 N2 O4 S -","- C48 H36 N4 O8 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.0824","0.0487","","","0.1143","0.1264","","","","","","1.044","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038779","14.2296","0.0008","8.9965","0.0005","20.0891","0.0012","90","","96.003","0.002","90","","2557.6","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N2 O4 S -","- C25 H20 N2 O4 S -","- C100 H80 N8 O16 S4 -","4","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.1125","0.0565","","","0.1239","0.1448","","","","","","1.031","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038780","10.1008","0.0016","11.3688","0.0018","11.6597","0.0019","82.638","0.005","64.947","0.004","81.864","0.005","1197.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O6 S -","- C28 H20 N2 O6 S -","- C56 H40 N4 O12 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.0765","0.0645","","","0.1754","0.1802","","","","","","1.049","","","","has coordinates,has disorder","257146","2020-10-21","18:00:00",""
"4038781","10.2791","0.0013","11.3288","0.0014","11.7187","0.0015","90.027","0.004","114.297","0.004","94.437","0.004","1239.3","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H19 Cl N2 O6 S -","- C28 H19 Cl N2 O6 S -","- C56 H38 Cl2 N4 O12 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.0596","0.0457","","","0.1138","0.1218","","","","","","1.024","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038782","11.444","0.0019","11.462","0.002","12.299","0.002","88.192","0.005","63.357","0.005","73.396","0.005","1373","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N2 O6 S -","- C32 H28 N2 O6 S -","- C64 H56 N4 O12 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.1141","0.0652","","","0.1495","0.1733","","","","","","1.021","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038783","8.426","0.0007","11.0834","0.0009","15.3702","0.0012","91.376","0.003","96.474","0.003","102.111","0.003","1392.8","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H27 Cl N2 O6 S -","- C32 H27 Cl N2 O6 S -","- C64 H54 Cl2 N4 O12 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.1209","0.0563","","","0.105","0.1261","","","","","","1.022","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038784","8.3862","0.0003","11.0478","0.0004","15.4388","0.0006","91.9752","0.0011","96.6881","0.0012","102.411","0.0012","1384.85","0.09","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H27 F N2 O6 S -","- C32 H27 F N2 O6 S -","- C64 H54 F2 N4 O12 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.0593","0.0468","","","0.12","0.128","","","","","","1.032","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038785","8.3197","0.0003","18.7648","0.0008","19.0758","0.001","90","","95.6621","0.0016","90","","2963.5","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 N2 O6 S -","- C36 H28 N2 O6 S -","- C144 H112 N8 O24 S4 -","4","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.1295","0.071","","","0.1268","0.1615","","","","","","1.009","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038786","15.1594","0.0009","13.7549","0.0008","14.4974","0.0008","90","","90","","90","","3022.9","0.3","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C35 H25 F N2 O6 S -","- C35 H25 F N2 O6 S -","- C140 H100 F4 N8 O24 S4 -","4","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.09","0.045","","","0.0772","0.0882","","","","","","1.034","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038787","11.62377","0.00013","11.62379","0.00012","19.3359","0.0002","90","","90","","90","","2612.52","0.05","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(1H-indol-2-yl)-2-phenylethan-1-amine","","- C16 H16 N2 -","- C16 H16 N2 -","- C128 H128 N16 -","8","1","","Aksenov, Nicolai A.; Aksenov, Dmitrii A.; Skomorokhov, Anton A.; Prityko, Lidiya A.; Aksenov, Alexander V.; Griaznov, Georgii D.; Rubin, Michael","Synthesis of 2-(1<i>H</i>-Indol-2-yl)acetamides via Brønsted Acid-Assisted Cyclization Cascade.","The Journal of organic chemistry","2020","85","19","12128","12146","10.1021/acs.joc.0c01344","","x-ray","1.54184","CuKα","","0.0466","0.043","","","0.1306","0.1349","","","","","","1.046","","","","has coordinates,has disorder","257147","2020-10-21","18:00:00",""
"4038788","10.246","0.003","21.331","0.005","12.725","0.002","90","","113.59","0.008","90","","2548.7","1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 N2 O9 P2 -","- C22 H32 N2 O9 P2 -","- C88 H128 N8 O36 P8 -","4","1","","Shu, Zhihao; Zhou, Jianhui; Li, Junyou; Cheng, Yilang; Liu, Hong; Wang, Dechuan; Zhou, Yu","Rh(III)-Catalyzed Dual C-H Functionalization/Cyclization Cascade by a Removable Directing Group: A Method for Synthesis of Polycyclic Fused Pyrano[<i>de</i>]Isochromenes.","The Journal of organic chemistry","2020","85","19","12097","12107","10.1021/acs.joc.0c01228","","","0.71073","MoKα","","0.1398","0.064","","","0.1225","0.155","","","","","","1.028","","","","has coordinates","257132","2020-10-21","18:00:00",""
"4038789","22.428","0.005","8.079","0.002","10.933","0.003","90","","101.949","0.008","90","","1938.1","0.8","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H22 O8 P2 -","- C17 H22 O8 P2 -","- C68 H88 O32 P8 -","4","0.5","","Shu, Zhihao; Zhou, Jianhui; Li, Junyou; Cheng, Yilang; Liu, Hong; Wang, Dechuan; Zhou, Yu","Rh(III)-Catalyzed Dual C-H Functionalization/Cyclization Cascade by a Removable Directing Group: A Method for Synthesis of Polycyclic Fused Pyrano[<i>de</i>]Isochromenes.","The Journal of organic chemistry","2020","85","19","12097","12107","10.1021/acs.joc.0c01228","","","0.71073","MoKα","","0.0845","0.0486","","","0.1067","0.1253","","","","","","1.034","","","","has coordinates","257132","2020-10-21","18:00:00",""
"4038790","13.6","0.0004","7.1637","0.0002","29.5605","0.001","90","","90","","90","","2879.97","0.15","170","","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 O4 P -","- C16 H15 O4 P -","- C128 H120 O32 P8 -","8","1","","Shu, Zhihao; Zhou, Jianhui; Li, Junyou; Cheng, Yilang; Liu, Hong; Wang, Dechuan; Zhou, Yu","Rh(III)-Catalyzed Dual C-H Functionalization/Cyclization Cascade by a Removable Directing Group: A Method for Synthesis of Polycyclic Fused Pyrano[<i>de</i>]Isochromenes.","The Journal of organic chemistry","2020","85","19","12097","12107","10.1021/acs.joc.0c01228","","","0.71073","MoKα","","0.0606","0.0396","","","0.0876","0.0997","","","","","","1.061","","","","has coordinates","257132","2020-10-21","18:00:00",""
"4038791","23.9795","0.0003","23.9795","0.0003","13.6928","0.0002","90","","90","","90","","7873.58","0.18","99.98","0.1","99.98","0.1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C39 H28 Br N O6 S -","- C39 H28 Br N O6 S -","- C312 H224 Br8 N8 O48 S8 -","8","1","","Yan, Juzhang; Li, Xiaoping; Chen, Yuzhen; Li, Ying; Chen, Weiwen; Zhan, Ruoting; Huang, Huicai","Organocatalytic 1,4-Addition of Azadienes with 3-Homoacyl Coumarins toward Highly Enantioenriched Benzofuran Coumarin Skeletons.","The Journal of organic chemistry","2020","85","19","12175","12186","10.1021/acs.joc.0c01379","","x-ray","1.54184","CuKα","","0.1017","0.0884","","","0.2383","0.2515","","","","","","1.051","","","","has coordinates","257142","2020-10-21","18:00:00",""
"4038792","7.073","0.0007","8.1167","0.0007","8.7016","0.0009","86.895","0.007","81.037","0.008","71.308","0.008","467.42","0.08","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C22 H18 N6 O2 -","2","1","","Wang, Jian; Li, Jiang-Hua; Guo, Yidong; Dong, Hongbo; Liu, Qiang; Yu, Xiao-Qi","TEMPO-Mediated C-H Amination of Benzoxazoles with N-Heterocycles.","The Journal of organic chemistry","2020","85","19","12797","12803","10.1021/acs.joc.0c01921","","x-ray","1.54184","CuKα","","0.0607","0.0594","","","0.1536","0.1553","","","","","","1.082","","","","has coordinates","257149","2020-10-21","18:00:00",""
"4038793","9.5514","0.0013","10.8418","0.0015","18.966","0.003","90","","102.372","0.005","90","","1918.4","0.5","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H44 N4 O -","- C47 H44 N4 O -","- C94 H88 N8 O2 -","2","1","","Selby, Joshua; Holzapfel, Marco; Lombe, Blaise Kimbadi; Schmidt, David; Krause, Ana-Maria; Würthner, Frank; Bringmann, Gerhard; Lambert, Christoph","Chiroptical Properties of Indolenine Squaraines with a Stereogenic Center at Close Proximity.","The Journal of organic chemistry","2020","85","19","12227","12242","10.1021/acs.joc.0c01422","","","1.54178","CuKα","","0.0377","0.0368","","","0.1009","0.1019","","","","","","1.042","","","","has coordinates,has disorder","257150","2020-10-21","18:00:00",""
"4038794","12.5152","0.0011","8.1909","0.0007","18.3478","0.0016","90","","109.467","0.002","90","","1773.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H48 N4 O -","- C41 H48 N4 O -","- C82 H96 N8 O2 -","2","1","","Selby, Joshua; Holzapfel, Marco; Lombe, Blaise Kimbadi; Schmidt, David; Krause, Ana-Maria; Würthner, Frank; Bringmann, Gerhard; Lambert, Christoph","Chiroptical Properties of Indolenine Squaraines with a Stereogenic Center at Close Proximity.","The Journal of organic chemistry","2020","85","19","12227","12242","10.1021/acs.joc.0c01422","","","1.54178","CuKα","","0.0397","0.0392","","","0.1034","0.1041","","","","","","1.03","","","","has coordinates","257150","2020-10-21","18:00:00",""
"4038795","7.13243","0.00007","12.32391","0.00016","29.4905","0.0003","90","","90","","90","","2592.2","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 F3 N2 O7 -","- C20 H21 F3 N2 O7 -","- C80 H84 F12 N8 O28 -","4","1","","Li, Luyao; Yang, Tianxiao; Zhang, Tao; Zhu, Bo; Chang, Junbiao","Organocatalytic Asymmetric Tandem Cyclization/Michael Addition via Oxazol-5(2<i>H</i>)-One Formation: Access to Perfluoroalkyl-Containing <i>N</i>,<i>O</i>-Acetal Derivatives.","The Journal of organic chemistry","2020","85","19","12294","12303","10.1021/acs.joc.0c01545","","x-ray","1.54184","CuKα","","0.0444","0.0428","","","0.1187","0.1207","","","","","","1.035","","","","has coordinates,has disorder","257125","2020-10-21","18:00:00",""
"4038796","8.4921","0.0011","11.0952","0.0014","8.7511","0.0011","90","","118.324","0.002","90","","725.83","0.16","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 O S2 -","- C15 H18 O S2 -","- C30 H36 O2 S4 -","2","1","","Wang, Panpan; Jiang, Qian; Zhao, Ruibo; Xie, Xingang; Tang, Shouchu; Wang, Xiaolei","Enantioselective α-Functionalization of 1,3-Dithianes by Iridium-Catalyzed Allylic Substitution.","The Journal of organic chemistry","2020","85","19","12456","12467","10.1021/acs.joc.0c01683","","","0.71073","MoKα","","0.0284","0.0277","","","0.0714","0.0721","","","","","","1.067","","","","has coordinates","257137","2020-10-21","18:00:00",""
"4038797","11.774","0.003","6.7993","0.0016","13.767","0.003","90","","101.189","0.004","90","","1081.2","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(but-3-en-2-yl)-1,3-dithiane-2-carboxylic acid","","- C9 H14 O2 S2 -","- C9 H14 O2 S2 -","- C36 H56 O8 S8 -","4","2","","Wang, Panpan; Jiang, Qian; Zhao, Ruibo; Xie, Xingang; Tang, Shouchu; Wang, Xiaolei","Enantioselective α-Functionalization of 1,3-Dithianes by Iridium-Catalyzed Allylic Substitution.","The Journal of organic chemistry","2020","85","19","12456","12467","10.1021/acs.joc.0c01683","","","0.71073","MoKα","","0.055","0.053","","","0.1531","0.1561","","","","","","1.001","","","","has coordinates","257137","2020-10-21","18:00:00",""
"4038798","12.959","0.004","15.165","0.003","29.378","0.007","75.8","0.03","86.69","0.02","86.896","0.01","5583","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C128.25 H170.25 Cl6.75 O6 -","- C128.25 H170.25 Cl6.75 O6 -","- C256.5 H340.5 Cl13.5 O12 -","2","1","","Iuliano, Veronica; Talotta, Carmen; Gaeta, Carmine; Hickey, Neal; Geremia, Silvano; Vatsouro, Ivan; Kovalev, Vladimir; Neri, Placido","Influence of <i>exo</i>-Adamantyl Groups and <i>endo</i>-OH Functions on the Threading of Calix[6]arene Macrocycle.","The Journal of organic chemistry","2020","85","19","12585","12593","10.1021/acs.joc.0c01769","","x-ray","0.7","Synchrotron","","0.1598","0.1007","","","0.2737","0.3254","","","","","","1.042","","","","has coordinates,has disorder","257138","2020-10-21","18:00:00",""
"4038799","12.338","0.002","15.813","0.003","15.886","0.0006","62.331","0.011","80.881","0.01","68.02","0.03","2545","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C112 H136 Cl12 O6 -","- C112 H136 Cl12 O6 -","- C112 H136 Cl12 O6 -","1","0.5","","Iuliano, Veronica; Talotta, Carmen; Gaeta, Carmine; Hickey, Neal; Geremia, Silvano; Vatsouro, Ivan; Kovalev, Vladimir; Neri, Placido","Influence of <i>exo</i>-Adamantyl Groups and <i>endo</i>-OH Functions on the Threading of Calix[6]arene Macrocycle.","The Journal of organic chemistry","2020","85","19","12585","12593","10.1021/acs.joc.0c01769","","x-ray","0.7","Synchrotron","","0.0436","0.042","","","0.1192","0.1208","","","","","","1.038","","","","has coordinates","257138","2020-10-21","18:00:00",""
"4038800","12.124","0.0011","21.984","0.002","16.7347","0.0015","90","","96.781","0.01","90","","4429.2","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 N4 -","- C56 H48 N4 -","- C224 H192 N16 -","4","1","","Rakshit, Amitava; Kumar, Prashant; Alam, Tipu; Dhara, Hirendranath; Patel, Bhisma K.","Visible-Light-Accelerated Pd-Catalyzed Cascade Addition/Cyclization of Arylboronic Acids to γ- and β-Ketodinitriles for the Construction of 3-Cyanopyridines and 3-Cyanopyrrole Analogues.","The Journal of organic chemistry","2020","85","19","12482","12504","10.1021/acs.joc.0c01703","","","0.71073","MoKα","","0.2487","0.0772","","","0.1521","0.2415","","","","","","0.941","","","","has coordinates","257143","2020-10-21","18:00:00",""
"4038801","13.6616","0.0002","9.18547","0.00012","17.0339","0.0003","90","","112.93","0.002","90","","1968.65","0.06","200","0.1","200","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br N O2 S -","- C21 H20 Br N O2 S -","- C84 H80 Br4 N4 O8 S4 -","4","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","x-ray","1.54184","CuKα","","0.0469","0.0444","","","0.1521","0.1567","","","","","","1.265","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038802","17.59534","0.00017","10.30762","0.00009","22.2729","0.0002","90","","106.229","0.001","90","","3878.58","0.06","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","11111","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C184 H152 N8 O24 S8 -","8","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","x-ray","1.54184","CuKα","","0.0385","0.0372","","","0.0986","0.0998","","","","","","1.047","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038803","21.6005","0.0007","9.3977","0.0003","18.9366","0.0007","90","","90","","90","","3844","0.2","273","2","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H40 N2 O4 S2 -","- C42 H42 N2 O4 S2 -","- C168 H168 N8 O16 S8 -","4","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","","1.54178","CuKα","","0.1025","0.0898","","","0.2087","0.2227","","","","","","1.457","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038804","9.6034","0.0002","10.0317","0.0002","12.4075","0.0002","99.201","0.002","111.404","0.002","102.937","0.002","1045.48","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 N O3 S -","- C24 H17 N O3 S -","- C48 H34 N2 O6 S2 -","2","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","x-ray","1.54184","CuKα","","0.0497","0.0439","","","0.1114","0.1219","","","","","","1.084","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038805","15.6423","0.0011","16.3109","0.0011","8.6514","0.0005","90","","101.62","0.007","90","","2162.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O2 S -","- C26 H21 N O2 S -","- C104 H84 N4 O8 S4 -","4","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","x-ray","0.71073","MoKα","","0.1011","0.0654","","","0.1735","0.237","","","","","","1.455","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038806","13.6766","0.0014","12.8566","0.0013","11.474","0.0011","90","","90","","90","","2017.5","0.3","293","2","293","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H18 F N O2 S -","- C25 H18 F N O2 S -","- C100 H72 F4 N4 O8 S4 -","4","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","x-ray","0.71073","MoKα","","0.0883","0.0552","","","0.1235","0.1549","","","","","","1.083","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038807","27.805","0.004","10.095","0.002","15.272","0.003","90","","96.621","0.017","90","","4258.1","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H22 Cl N O2 S -","- C22.5 H22 Cl N O2 S -","- C180 H176 Cl8 N8 O16 S8 -","8","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","x-ray","0.71073","MoKα","","0.1701","0.0735","","","0.1772","0.2584","","","","","","1.031","","","","has coordinates,has disorder","257144","2020-10-21","18:00:00",""
"4038808","10.92844","0.00007","12.69071","0.00008","18.62518","0.00009","105.902","0.0005","94.5863","0.0005","113.405","0.0006","2227.08","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H71 Cl2 O3 P2 Rh -","- C45 H71 Cl2 O3 P2 Rh -","- C90 H142 Cl4 O6 P4 Rh2 -","2","1","","Rodstein, Ilja; Prendes, Daniel Sowa; Wickert, Leon; Paaßen, Maurice; Gessner, Viktoria","Selective Pd-Catalyzed Monoarylation of Small Primary Alkyl Amines through Backbone-Modification in Ylide-Functionalized Phosphines (YPhos).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01771","","","1.54184","CuKα","","0.0303","0.0301","","","0.1219","0.1225","","","","","","1.171","","","","has coordinates","256593","2020-10-21","18:00:00",""
"4038809","13.14401","0.00004","24.0935","0.00007","14.52671","0.00004","90","","95.1545","0.0003","90","","4581.79","0.02","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H81.54 Au Cl O2 P2 -","- C48 H81.542 Au Cl O2 P2 -","- C192 H326.168 Au4 Cl4 O8 P8 -","4","1","","Rodstein, Ilja; Prendes, Daniel Sowa; Wickert, Leon; Paaßen, Maurice; Gessner, Viktoria","Selective Pd-Catalyzed Monoarylation of Small Primary Alkyl Amines through Backbone-Modification in Ylide-Functionalized Phosphines (YPhos).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01771","","","1.54184","CuKα","","0.0245","0.0244","","","0.0621","0.0622","","","","","","1.146","","","","has coordinates,has disorder","256594","2020-10-21","18:00:00",""
"4038810","10.22661","0.00016","10.50804","0.00018","18.1253","0.0003","86.2203","0.0014","86.1003","0.0013","79.6142","0.0014","1908.57","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H132 Au2 Cl2 O P4 -","- C80 H132 Au2 Cl2 O P4 -","- C80 H132 Au2 Cl2 O P4 -","1","0.5","","Rodstein, Ilja; Prendes, Daniel Sowa; Wickert, Leon; Paaßen, Maurice; Gessner, Viktoria","Selective Pd-Catalyzed Monoarylation of Small Primary Alkyl Amines through Backbone-Modification in Ylide-Functionalized Phosphines (YPhos).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01771","","","1.54184","CuKα","","0.0225","0.0217","","","0.0554","0.0558","","","","","","1.103","","","","has coordinates,has disorder","256595","2020-10-21","18:00:00",""
"4038811","9.3707","0.0002","9.9337","0.0002","10.031","0.0002","90.2806","0.0017","93.674","0.002","93.3011","0.0019","930.24","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C44 H68 P2 -","- C44 H68 P2 -","- C44 H68 P2 -","1","0.5","","Rodstein, Ilja; Prendes, Daniel Sowa; Wickert, Leon; Paaßen, Maurice; Gessner, Viktoria","Selective Pd-Catalyzed Monoarylation of Small Primary Alkyl Amines through Backbone-Modification in Ylide-Functionalized Phosphines (YPhos).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01771","","","1.54184","CuKα","","0.0343","0.0327","","","0.0827","0.0839","","","","","","1.062","","","","has coordinates","256596","2020-10-21","18:00:00",""
"4038812","10.29035","0.00011","20.32473","0.00018","16.76223","0.00015","90","","100.361","0.0009","90","","3448.63","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 P2 -","- C38 H62 P2 -","- C152 H248 P8 -","4","1","","Rodstein, Ilja; Prendes, Daniel Sowa; Wickert, Leon; Paaßen, Maurice; Gessner, Viktoria","Selective Pd-Catalyzed Monoarylation of Small Primary Alkyl Amines through Backbone-Modification in Ylide-Functionalized Phosphines (YPhos).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01771","","","1.54184","CuKα","","0.0412","0.037","","","0.0947","0.0975","","","","","","1.046","","","","has coordinates,has disorder","256597","2020-10-21","18:00:00",""
"4038813","10.1846","0.0003","10.2395","0.0003","18.2242","0.0005","87.933","0.002","86.219","0.002","69.477","0.002","1775.85","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H66 P2 -","- C40 H66 P2 -","- C80 H132 P4 -","2","1","","Rodstein, Ilja; Prendes, Daniel Sowa; Wickert, Leon; Paaßen, Maurice; Gessner, Viktoria","Selective Pd-Catalyzed Monoarylation of Small Primary Alkyl Amines through Backbone-Modification in Ylide-Functionalized Phosphines (YPhos).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01771","","","1.54184","CuKα","","0.0324","0.0322","","","0.0845","0.0847","","","","","","1.018","","","","has coordinates","256598","2020-10-21","18:00:00",""
"4038814","8.7772","0.0001","14.3162","0.0002","17.4904","0.0003","90","","97.518","0.001","90","","2178.88","0.05","100","2","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N -","- C14 H15 N -","- C112 H120 N8 -","8","2","","Rodstein, Ilja; Prendes, Daniel Sowa; Wickert, Leon; Paaßen, Maurice; Gessner, Viktoria","Selective Pd-Catalyzed Monoarylation of Small Primary Alkyl Amines through Backbone-Modification in Ylide-Functionalized Phosphines (YPhos).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01771","","x-ray","1.54184","CuKα","","0.0522","0.0476","","","0.1191","0.1223","","","","","","1.052","","","","has coordinates","256599","2020-10-21","18:00:00",""
"4038815","15.456","0.002","7.0443","0.0011","16.266","0.003","90","","91.746","0.004","90","","1770.2","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 B F4 N O -","- C19 H20 B F4 N O -","- C76 H80 B4 F16 N4 O4 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","0.71073","MoKα","","0.089","0.0514","","","0.1117","0.1321","","","","","","1.025","","","","has coordinates","257131","2020-10-21","18:00:00",""
"4038816","9.2376","0.0007","16.4663","0.0013","23.0599","0.0018","101.102","0.002","91.828","0.002","103.786","0.002","3331.7","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 B F4 N O -","- C18 H18 B F4 N O -","- C144 H144 B8 F32 N8 O8 -","8","4","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","0.71073","MoKα","","0.1314","0.0578","","","0.1348","0.1662","","","","","","0.957","","","","has coordinates,has disorder","257131","2020-10-21","18:00:00",""
"4038817","12.0267","0.0004","8.0762","0.0003","19.1306","0.0005","90","","96.044","0.003","90","","1847.83","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 B F4 N -","- C22 H20 B F4 N -","- C88 H80 B4 F16 N4 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","1.54184","CuKα","","0.0891","0.0821","","","0.2002","0.205","","","","","","1.074","","","","has coordinates,has disorder","257131","2020-10-21","18:00:00",""
"4038818","12.1916","0.0006","9.9536","0.0005","14.3268","0.0007","90","","100.697","0.001","90","","1708.35","0.15","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 B F4 N2 -","- C18 H21 B F4 N2 -","- C72 H84 B4 F16 N8 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","0.71073","MoKα","","0.0611","0.0386","","","0.0896","0.1026","","","","","","1.028","","","","has coordinates","257131","2020-10-21","18:00:00",""
"4038819","8.3874","0.0006","12.2927","0.0009","15.2185","0.0011","90","","99.854","0.002","90","","1545.94","0.19","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 B F4 N -","- C19 H14 B F4 N -","- C76 H56 B4 F16 N4 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","0.71073","MoKα","","0.0528","0.043","","","0.112","0.1193","","","","","","1.075","","","","has coordinates","257131","2020-10-21","18:00:00",""
"4038820","6.165","0.003","17.073","0.009","12.098","0.007","90","","90","","90","","1273.4","1.2","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","0.71073","MoKα","","0.1217","0.0607","","","0.1154","0.1414","","","","","","1.011","","","","has coordinates","257131","2020-10-21","18:00:00",""
"4038821","9.4054","0.0014","14.334","0.002","9.7907","0.0015","90","","91.688","0.004","90","","1319.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","0.71073","MoKα","","0.0876","0.0449","","","0.0892","0.1046","","","","","","1.01","","","","has coordinates","257131","2020-10-21","18:00:00",""
"4038822","14.3987","0.0004","13.0464","0.0004","12.6405","0.0004","90","","99.152","0.003","90","","2344.3","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 B2 F8 N2 O -","- C26 H20 B2 F8 N2 O -","- C104 H80 B8 F32 N8 O4 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","x-ray","1.54184","CuKα","","0.0734","0.0598","","","0.1696","0.1797","","","","","","1.081","","","","has coordinates,has disorder","257131","2020-10-21","18:00:00",""
"4038823","8.0529","0.0004","8.1749","0.0005","22.1907","0.0012","90","","90","","90","","1460.85","0.14","149.97","0.1","149.97","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C72 H56 N8 O12 -","4","1","","Mittendorf, Fabia; Mohr, Fabian; Kirsch, Stefan F.","Ring Expansion of 2-Azido-2-phenyl-indan-1,3-dione for the Generation of Heterocyclic Scaffolds.","The Journal of organic chemistry","2020","85","19","12760","12769","10.1021/acs.joc.0c01586","","x-ray","0.71073","MoKα","","0.0423","0.0364","","","0.0811","0.0841","","","","","","1.061","","","","has coordinates","257148","2020-10-21","18:00:00",""
"4038824","13.0463","0.001","12.6415","0.0009","22.773","0.002","90","","105.273","0.009","90","","3623.2","0.5","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C184 H160 N16 O24 -","8","2","","Mittendorf, Fabia; Mohr, Fabian; Kirsch, Stefan F.","Ring Expansion of 2-Azido-2-phenyl-indan-1,3-dione for the Generation of Heterocyclic Scaffolds.","The Journal of organic chemistry","2020","85","19","12760","12769","10.1021/acs.joc.0c01586","","x-ray","0.71073","MoKα","","0.0693","0.0485","","","0.1043","0.1165","","","","","","1.046","","","","has coordinates","257148","2020-10-21","18:00:00",""
"4038825","11.3043","0.0004","11.6698","0.0004","13.0106","0.0004","93.163","0.002","100.157","0.002","107.529","0.002","1600.24","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H28 N6 O2 -","- C40 H28 N6 O2 -","- C80 H56 N12 O4 -","2","1","","Tasior, Mariusz; Vakuliuk, Olena; Koga, Daiki; Koszarna, Beata; Górski, Krzysztof; Grzybowski, Marek; Kielesiński, Łukasz; Krzeszewski, Maciej; Gryko, Daniel T.","Method for the Large-Scale Synthesis of Multifunctional 1,4-Dihydro-pyrrolo[3,2-<i>b</i>]pyrroles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01665","","","1.54178","CuKα","","0.0812","0.044","","","0.1251","0.1477","","","","","","1.039","","","","has coordinates","256629","2020-10-21","18:00:00",""
"4038826","6.0701","0.0001","25.7968","0.0006","10.8547","0.0003","90","","97.551","0.002","90","","1684.99","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 F12 N2 -","- C42 H30 F12 N2 -","- C84 H60 F24 N4 -","2","0.5","","Tasior, Mariusz; Vakuliuk, Olena; Koga, Daiki; Koszarna, Beata; Górski, Krzysztof; Grzybowski, Marek; Kielesiński, Łukasz; Krzeszewski, Maciej; Gryko, Daniel T.","Method for the Large-Scale Synthesis of Multifunctional 1,4-Dihydro-pyrrolo[3,2-<i>b</i>]pyrroles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01665","","","1.54184","CuKα","","0.0421","0.0349","","","0.0911","0.0971","","","","","","1.021","","","","has coordinates","256630","2020-10-21","18:00:00",""
"4038827","22.445","0.003","10.5768","0.0013","8.1673","0.001","90","","92.685","0.005","90","","1936.8","0.4","200","2","199.98","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H27 N3 -","- C22 H27 N3 -","- C88 H108 N12 -","4","0.5","","Zhang, Zengyu; Huang, Shiqing; Huang, Linwei; Xu, Xingyu; Zhao, Hongyan; Yan, Xiaoyu","Synthesis of Mesoionic N-Heterocyclic Olefins and Catalytic Application for Hydroboration Reactions.","The Journal of organic chemistry","2020","85","19","12036","12043","10.1021/acs.joc.0c00257","","","0.71073","MoKα","","0.0911","0.0588","","","0.158","0.1778","","","","","","1.031","","","","has coordinates","257130","2020-10-21","18:00:00",""
"4038828","8.9279","0.001","12.3384","0.0013","13.3669","0.0014","66.588","0.003","81.982","0.003","72.54","0.003","1288.6","0.2","200","","200","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H39 N3 -","- C28 H39 N3 -","- C56 H78 N6 -","2","1","","Zhang, Zengyu; Huang, Shiqing; Huang, Linwei; Xu, Xingyu; Zhao, Hongyan; Yan, Xiaoyu","Synthesis of Mesoionic N-Heterocyclic Olefins and Catalytic Application for Hydroboration Reactions.","The Journal of organic chemistry","2020","85","19","12036","12043","10.1021/acs.joc.0c00257","","","0.71073","MoKα","","0.1121","0.0666","","","0.1538","0.1768","","","","","","1.026","","","","has coordinates","257130","2020-10-21","18:00:00",""
"4038829","9.851","0.0003","11.5233","0.0003","17.2368","0.0004","90","","90","","90","","1956.65","0.09","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O2 P2 -","- C20 H27 N O2 P2 -","- C80 H108 N4 O8 P8 -","4","1","","Moritz, Jan-Ole; Chakrabortty, Soumyadeep; Müller, Bernd H; Spannenberg, Anke; Kamer, Paul C. J.","P-chirogenic Diphosphazanes with Axially Chiral Substituents and their Use in Rh-catalyzed Asymmetric Hydrogenation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01108","","","0.71073","MoKα","","0.0288","0.0276","","","0.072","0.0724","","","","","","1.009","","","","has coordinates","256678","2020-10-21","18:00:00",""
"4038830","8.8123","0.0002","30.9425","0.0007","9.2575","0.0002","90","","98.8763","0.0008","90","","2494.05","0.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H39 Li N3 P -","- C24 H39 Li N3 P -","- C96 H156 Li4 N12 P4 -","4","2","","Moritz, Jan-Ole; Chakrabortty, Soumyadeep; Müller, Bernd H; Spannenberg, Anke; Kamer, Paul C. J.","P-chirogenic Diphosphazanes with Axially Chiral Substituents and their Use in Rh-catalyzed Asymmetric Hydrogenation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01108","","","1.54178","CuKα","","0.034","0.0337","","","0.0908","0.0911","","","","","","1.016","","","","has coordinates","256679","2020-10-21","18:00:00",""
"4038831","9.856","0.0002","11.5291","0.0002","17.2583","0.0004","90","","90","","90","","1961.07","0.07","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O2 P2 -","- C20 H27 N O2 P2 -","- C80 H108 N4 O8 P8 -","4","1","","Moritz, Jan-Ole; Chakrabortty, Soumyadeep; Müller, Bernd H; Spannenberg, Anke; Kamer, Paul C. J.","P-chirogenic Diphosphazanes with Axially Chiral Substituents and their Use in Rh-catalyzed Asymmetric Hydrogenation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01108","","","0.71073","MoKα","","0.0306","0.0286","","","0.0738","0.0755","","","","","","1.033","","","","has coordinates","256680","2020-10-21","18:00:00",""
"4038832","10.8041","0.0006","15.3336","0.0008","13.3346","0.0007","90","","102.262","0.0014","90","","2158.7","0.2","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C40 H54 B F4 N2 O4 P4 Rh -","- C40 H54 B F4 N2 O4 P4 Rh -","- C80 H108 B2 F8 N4 O8 P8 Rh2 -","2","1","","Moritz, Jan-Ole; Chakrabortty, Soumyadeep; Müller, Bernd H; Spannenberg, Anke; Kamer, Paul C. J.","P-chirogenic Diphosphazanes with Axially Chiral Substituents and their Use in Rh-catalyzed Asymmetric Hydrogenation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01108","","","1.54178","CuKα","","0.0254","0.0254","","","0.0682","0.0682","","","","","","1.044","","","","has coordinates","256681","2020-10-21","18:00:00",""
"4038833","9.638","0.0009","16.4283","0.0014","12.1516","0.0013","90","","105.707","0.01","90","","1852.2","0.3","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 B F3 N2 O -","- C23 H16 B F3 N2 O -","- C92 H64 B4 F12 N8 O4 -","4","1","","Yang, Tianbao; Cao, Xin; Zhang, Xing-Xing; Ou, Yifeng; Au, Chak-Tong; Yin, Shuang-Feng; Qiu, Renhua","Iodine-Catalyzed Synthesis of <i>N,N</i>'-Chelate Organoboron Aminoquinolate.","The Journal of organic chemistry","2020","85","19","12430","12443","10.1021/acs.joc.0c01649","","x-ray","0.71073","MoKα","","0.0812","0.0656","","","0.1639","0.1791","","","","","","1.049","","","","has coordinates","257133","2020-10-21","18:00:00",""
"4038834","17.3714","0.0003","14.8912","0.0002","9.2154","0.0001","90","","104.076","0.001","90","","2312.27","0.06","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 B Br F3 N2 O4 -","- C25 H17 B Br F3 N2 O4 -","- C100 H68 B4 Br4 F12 N8 O16 -","4","1","","Yang, Tianbao; Cao, Xin; Zhang, Xing-Xing; Ou, Yifeng; Au, Chak-Tong; Yin, Shuang-Feng; Qiu, Renhua","Iodine-Catalyzed Synthesis of <i>N,N</i>'-Chelate Organoboron Aminoquinolate.","The Journal of organic chemistry","2020","85","19","12430","12443","10.1021/acs.joc.0c01649","","x-ray","1.54184","CuKα","","0.0372","0.0356","","","0.0942","0.0957","","","","","","1.05","","","","has coordinates,has disorder","257133","2020-10-21","18:00:00",""
"4038835","10.2581","0.0006","11.4654","0.0008","14.5949","0.0009","70.423","0.002","85.801","0.002","75.155","0.002","1563.19","0.17","157","2","157","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H36 N2 O5 Si -","- C29 H36 N2 O5 Si -","- C58 H72 N4 O10 Si2 -","2","1","","Zhang, Yan-Xue; Chen, Ling-Yan; Sun, Jian-Ting; Si, Chang-Mei; Wei, Bang-Guo","Gold-Catalyzed Addition-<i>N</i>-Boc Cleavage-Cyclization of <i>N</i>,<i>O</i>-Acetal with Ynamides for Construction of 6-(<i>tert</i>-Butyldimethylsilyl)oxy-tetrahydropyrrolo[1,2-<i>c</i>][1,3]oxazin-1-ones.","The Journal of organic chemistry","2020","85","19","12603","12613","10.1021/acs.joc.0c01776","","","0.71073","mokα","","0.0562","0.0426","","","0.1045","0.1137","","","","","","1.034","","","","has coordinates","257135","2020-10-21","18:00:00",""
"4038836","18.889","0.004","11.865","0.002","19.04","0.005","90","","90","","90","","4267.2","1.6","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 N O P -","- C26 H24 N O P -","- C208 H192 N8 O8 P8 -","8","1","","Lim, Taehyun; Kim, Byeong Moon","Synthesis of α-aminophosphonates via phosphonylation of an aryne-imine adduct.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01410","","","0.71073","MoKα","","0.1547","0.0703","","","0.1833","0.2366","","","","","","1.031","","","","has coordinates","256685","2020-10-21","18:00:00",""
"4038837","11.4662","0.0015","13.068","0.002","16.186","0.002","82.877","0.009","88.111","0.009","79.015","0.011","2362.4","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 N O3 -","- C28 H27 N O3 -","- C112 H108 N4 O12 -","4","2","","Lepovitz, Lance T.; Martin, Stephen F.","Biomimetically Inspired, One-Step Synthesis of Exotine A and Exotine B.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01524","","","0.71073","MoKα","","0.131","0.0797","","","0.1745","0.2133","","","","","","1.004","","","","has coordinates","256686","2020-10-21","18:00:00",""
"4038838","9.6838","0.0002","8.3369","0.0001","9.8668","0.0002","90","","116.416","0.002","90","","713.4","0.03","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 O2 S -","- C16 H18 O2 S -","- C32 H36 O4 S2 -","2","1","","Li, Shu-Sen; Wang, Jianbo","Cu(I)/Chiral Bisoxazoline-Catalyzed Enantioselective Sommelet-Hauser Rearrangement of Sulfonium Ylides.","The Journal of organic chemistry","2020","85","19","12343","12358","10.1021/acs.joc.0c01590","","x-ray","1.54184","CuKα","","0.0216","0.0215","","","0.0596","0.0596","","","","","","1.028","","","","has coordinates","257151","2020-10-21","18:00:00",""
"4038839","23.2393","0.0013","7.5636","0.0004","7.3759","0.0004","90","","100.902","0.003","90","","1273.08","0.12","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Huang, Yange; Choy, Pui Ying; Wang, Junya; Tse, Man Kin; Sun, Raymond Wai-Yin; Chan, Albert Sun Chi; Kwong, Fuk Yee","Palladium-catalyzed Monoarylation of Arylhydrazines with Aryl Tosylates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01599","","","0.71073","MoKα","","0.0494","0.0391","","","0.1052","0.1167","","","","","","1.05","","","","has coordinates","256777","2020-10-21","18:00:00",""
"4038840","6.381","0.004","13.803","0.009","7.88","0.005","90","","95.82","0.02","90","","690.5","0.8","296","2","296","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C16 H20 N2 -","- C16 H20 N2 -","- C32 H40 N4 -","2","1","","Huang, Yange; Choy, Pui Ying; Wang, Junya; Tse, Man Kin; Sun, Raymond Wai-Yin; Chan, Albert Sun Chi; Kwong, Fuk Yee","Palladium-catalyzed Monoarylation of Arylhydrazines with Aryl Tosylates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01599","","","0.71073","MoKα","","0.064","0.0481","","","0.1111","0.1209","","","","","","1.028","","","","has coordinates","256778","2020-10-21","18:00:00",""
"4038841","7.327","0.004","15.647","0.009","7.711","0.004","90","","96.781","0.014","90","","877.8","0.8","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C42 H36 N4 O4 -","2","1","","Huang, Yange; Choy, Pui Ying; Wang, Junya; Tse, Man Kin; Sun, Raymond Wai-Yin; Chan, Albert Sun Chi; Kwong, Fuk Yee","Palladium-catalyzed Monoarylation of Arylhydrazines with Aryl Tosylates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01599","","","0.71073","MoKα","","0.1026","0.0662","","","0.1419","0.1596","","","","","","1.056","","","","has coordinates","256779","2020-10-21","18:00:00",""
"4038842","11.799","0.004","18.531","0.006","12.441","0.004","90","","101.186","0.012","90","","2668.5","1.5","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H38 N O2 P -","- C29 H38 N O2 P -","- C116 H152 N4 O8 P4 -","4","1","","Huang, Yange; Choy, Pui Ying; Wang, Junya; Tse, Man Kin; Sun, Raymond Wai-Yin; Chan, Albert Sun Chi; Kwong, Fuk Yee","Palladium-catalyzed Monoarylation of Arylhydrazines with Aryl Tosylates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01599","","","0.71073","MoKα","","0.0601","0.0512","","","0.1183","0.1263","","","","","","1.144","","","","has coordinates","256780","2020-10-21","18:00:00",""
"4038843","8.3188","0.0008","9.3992","0.0011","15.4909","0.0009","75.866","0.007","82.881","0.006","74.752","0.009","1130.91","0.19","291.63","0.1","291.63","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N O3 P -","- C28 H22 N O3 P -","- C56 H44 N2 O6 P2 -","2","1","","Lou, Qin-Xin; Niu, Yuan; Qi, Zhi-Chao; Yang, Shang-Dong","Ir(III)-Catalyzed C-H Functionalization of Triphenylphosphine Oxide Towards 3-Aryl Oxindoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00999","","x-ray","1.54184","CuKα","","0.096","0.0752","","","0.2115","0.2443","","","","","","1.104","","","","has coordinates","256833","2020-10-21","18:00:00",""
"4038844","8.7033","0.0006","10.3399","0.001","11.7859","0.0011","113.729","0.009","92.491","0.006","101.392","0.007","942.86","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C42 H48 N4 O4 -","2","1","","Yang, Zi; Yue, Qi; Yang, Mengqi; Zhang, Hong; Cui, Xiuling","Ru(II)-catalyzed tunable cascade reaction via C-H/C-C bond cleavage.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01614","","x-ray","0.71073","MoKα","","0.074","0.0487","","","0.1426","0.1683","","","","","","1.03","","","","has coordinates","256834","2020-10-21","18:00:00",""
"4038845","9.8585","0.0006","9.5244","0.0006","21.7395","0.0013","90","","99.223","0.002","90","","2014.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N3 O2 -","- C24 H23 N3 O2 -","- C96 H92 N12 O8 -","4","1","","Golmohammadi, Farhad; Balalaie, Saeed; Fathi Vavsari, Vaezeh; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Synthesis of Spiro-β-lactam-pyrroloquinolines as Fused Heterocyclic Scaffolds through Post-transformation Reactions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01817","","","0.71073","MoKα","","0.0776","0.048","","","0.103","0.1168","","","","","","1.032","","","","has coordinates","256835","2020-10-21","18:00:00",""
"4038846","10.01784","0.00017","10.98794","0.00013","15.5845","0.0002","90","","105.645","0.0016","90","","1651.92","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cl N O3 -","- C18 H16 Cl N O3 -","- C72 H64 Cl4 N4 O12 -","4","1","","Peng, Haiyun; Zhang, Yu; Zhu, Yang; Deng, Guisheng","Silver(I)-catalyzed Domino Cyclization/Cyclopropanation/Ring-Cleavage/Nucleophilic Substitution Reaction of Enynones with Enamines: Synthesis of 4-(furan-2-yl)-3,4-dihydro-2<i>H</i>-pyrrol-2-one.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01711","","x-ray","1.54184","CuKα","","0.0405","0.0379","","","0.0968","0.0988","","","","","","1.039","","","","has coordinates","256836","2020-10-21","18:00:00",""
"4038847","9.4553","0.0003","7.4507","0.0003","24.9074","0.0008","90","","90","","90","","1754.69","0.11","293.77","0.1","293.77","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H19 N O S2 -","- C19 H19 N O S2 -","- C76 H76 N4 O4 S8 -","4","1","","Cheng, Bin; Li, Hui; Hou, Jieping; Zhang, Xinping; He, Yixuan; Sun, Haiyan; Xu, Wei; Wang, Taimin; Zhai, Hongbin","Synthesis of 3,4-Dihydro-2H-1,3-thiazines from α-Enolic Dithioesters and 1,3,5-Triazinanes via a Formal (3 + 3) Annulation Reaction","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01984","","x-ray","1.54184","CuKα","","0.0367","0.035","","","0.0873","0.0899","","","","","","1.092","","","","has coordinates","256837","2020-10-21","18:00:00",""
"4038848","5.921","0.0001","9.6597","0.0001","32.1824","0.0005","90","","90","","90","","1840.68","0.05","200","0.1","200","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C72 H88 N8 O24 -","4","1","","Yuan, Jinping; Jain, Pankaj; Antilla, Jon C.","Bi(cyclopentyl)diol-Derived Boronates in Highly Enantioselective Chiral Phosphoric Acid-Catalyzed Allylation, Propargylation and Crotylation of Aldehydes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01646","","x-ray","1.54184","CuKα","","0.0368","0.0324","","","0.0826","0.0878","","","","","","1.078","","","","has coordinates","256875","2020-10-21","18:00:00",""
"4038849","9.11","0.0008","10.547","0.0009","11.7739","0.0011","90","","90","","90","","1131.27","0.17","298","2","298.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Zhao, Yulei; Guo, Xuqiang; Si, Zhiyao; Hu, Yanan; Sun, Ying; Liu, Yunlin; Ji, Zhongyin; You, Jinmao","Hydrosilane-Assisted Synthesis of Urea Derivatives from CO<sub>2</sub> and Amines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02032","","","0.71073","MoKα","","0.1211","0.0506","","","0.1037","0.1346","","","","","","0.926","","","","has coordinates","256896","2020-10-21","18:00:00",""
"4038850","16.1173","0.001","6.0319","0.0003","19.9118","0.0013","90","","110.983","0.002","90","","1807.42","0.19","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ORGANIC","","","- C21 H17 Br N2 O -","- C21 H17 Br N2 O -","- C84 H68 Br4 N8 O4 -","4","1","","Kumar, Jogendra; Suresh, Eringathodi; Bhadra, Sukalyan","Catalytic Direct α-Amination of Arylacetic Acid Synthons with Anilines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02122","","","0.71073","MoKα","","0.0799","0.0424","","","0.0997","0.1164","","","","","","1.01","","","","has coordinates","256897","2020-10-21","18:00:00",""
"4038851","10.0472","0.001","9.0898","0.0008","20.6002","0.0019","90","","98.372","0.003","90","","1861.3","0.3","264","2","264","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ORGANIC","","","- C24 H18 N2 S -","- C24 H18 N2 S -","- C96 H72 N8 S4 -","4","1","","Kumar, Jogendra; Suresh, Eringathodi; Bhadra, Sukalyan","Catalytic Direct α-Amination of Arylacetic Acid Synthons with Anilines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02122","","","0.71073","Mokα","","0.0769","0.0484","","","0.1274","0.15","","","","","","1.081","","","","has coordinates","256898","2020-10-21","18:00:00",""
"4038852","9.5102","0.0005","8.4541","0.0005","16.722","0.0009","90","","104.133","0.002","90","","1303.76","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Br O2 -","- C15 H11 Br O2 -","- C60 H44 Br4 O8 -","4","1","","Hu, Sha; Lu, Zuolin; Liu, Minjie; Xu, Hanlin; Wu, Jiale; Chen, Fener","TfOH-Catalyzed Cascade C-H Activation/Lactonization of Phenols with alpha-Aryl-alpha-Diazoesters: Rapid Access to alpha-Aryl Benzofuranones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01583","","","1.34138","GaKα","","0.0349","0.0322","","","0.0835","0.0861","","","","","","1.044","","","","has coordinates","256899","2020-10-21","18:00:00",""
"4038853","19.334","0.002","15.9626","0.0018","24.978","0.003","90","","97.191","0.001","90","","7648.1","1.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C93 H87 N4 O4 -","- C93 H87 N4 O4 -","- C372 H348 N16 O16 -","4","1","","Ishizuka, Tomoya; Tanaka, Shogo; Uchida, Sayaka; Wei, Lianyu; Kojima, Takahiko","Selective Convergence to Atropisomers of a Porphyrin Derivative Having Bulky Substituents at the Periphery.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01876","","","0.71073","MoKα","","0.142","0.0684","","","0.1483","0.1778","","","","","","1.003","","","","has coordinates,has disorder","256900","2020-10-21","18:00:00",""
"4038854","13.151","0.002","18.373","0.003","29.23","0.005","90","","97.522","0.002","90","","7002","2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C85 H80 Cl2 N4 O4 -","- C85 H80 Cl2 N4 O4 -","- C340 H320 Cl8 N16 O16 -","4","1","","Ishizuka, Tomoya; Tanaka, Shogo; Uchida, Sayaka; Wei, Lianyu; Kojima, Takahiko","Selective Convergence to Atropisomers of a Porphyrin Derivative Having Bulky Substituents at the Periphery.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01876","","","0.71073","MoKα","","0.1914","0.0965","","","0.2307","0.2791","","","","","","1.017","","","","has coordinates,has disorder","256900","2020-10-21","18:00:00",""
"4038855","14.701","0.002","38.079","0.006","14.624","0.002","90","","110.677","0.002","90","","7659.2","1.9","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C85 H80 Cl2 N4 O4 -","- C85 H80 Cl2 N4 O4 -","- C340 H320 Cl8 N16 O16 -","4","1","","Ishizuka, Tomoya; Tanaka, Shogo; Uchida, Sayaka; Wei, Lianyu; Kojima, Takahiko","Selective Convergence to Atropisomers of a Porphyrin Derivative Having Bulky Substituents at the Periphery.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01876","","","0.71073","MoKα","","0.1564","0.0839","","","0.2372","0.2815","","","","","","1.034","","","","has coordinates,has disorder","256900","2020-10-21","18:00:00",""
"4038856","15.172","0.003","15.412","0.003","17.553","0.004","81.596","0.003","75.237","0.003","86.921","0.003","3925.7","1.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C85.52 H83.04 Cl5.04 N4 O12 -","- C85.52 H83.04 Cl5.0395 N4 O12 -","- C171.04 H166.08 Cl10.079 N8 O24 -","2","1","","Ishizuka, Tomoya; Tanaka, Shogo; Uchida, Sayaka; Wei, Lianyu; Kojima, Takahiko","Selective Convergence to Atropisomers of a Porphyrin Derivative Having Bulky Substituents at the Periphery.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01876","","","0.71073","MoKα","","0.2015","0.1192","","","0.2414","0.2775","","","","","","1.091","","","","has coordinates,has disorder","256900","2020-10-21","18:00:00",""
"4038857","15.715","0.002","15.84","0.002","16.452","0.002","97.24","0.002","90.434","0.002","99.096","0.002","4010","0.9","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C87.5 H83 Cl3 F6 N4 O10 S2 -","- C87.5 H83 Cl3 F6 N4 O10 S2 -","- C175 H166 Cl6 F12 N8 O20 S4 -","2","1","","Ishizuka, Tomoya; Tanaka, Shogo; Uchida, Sayaka; Wei, Lianyu; Kojima, Takahiko","Selective Convergence to Atropisomers of a Porphyrin Derivative Having Bulky Substituents at the Periphery.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01876","","","0.71073","MoKα","","0.1178","0.0721","","","0.1587","0.1793","","","","","","1.022","","","","has coordinates,has disorder","256900","2020-10-21","18:00:00",""
"4038858","15.3192","0.0015","16.6129","0.0017","17.287","0.0017","92.847","0.001","100.839","0.001","108.55","0.001","4068.1","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H81 Cl3 N4 O5 Zn -","- C86 H81 Cl3 N4 O5 Zn -","- C172 H162 Cl6 N8 O10 Zn2 -","2","1","","Ishizuka, Tomoya; Tanaka, Shogo; Uchida, Sayaka; Wei, Lianyu; Kojima, Takahiko","Selective Convergence to Atropisomers of a Porphyrin Derivative Having Bulky Substituents at the Periphery.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01876","","","0.71073","MoKα","","0.0812","0.0617","","","0.171","0.1858","","","","","","1.017","","","","has coordinates","256900","2020-10-21","18:00:00",""
"4038859","9.2046","0.0002","16.5447","0.0004","21.3255","0.0005","90","","91.645","0.002","90","","3246.27","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 N3 O P -","- C39 H34 N3 O P -","- C156 H136 N12 O4 P4 -","4","1","","Pattarawarapan, Mookda; Yamano, Dolnapa; Wiriya, Nittaya; Yimklan, Saranphong; Phakhodee, Wong","Simultaneous Formation and Functionalization of Aryliminophosphoranes Using 1,3-Dihydro-1<i>H</i>-benzimidazol-2-ones as Precursors.","The Journal of organic chemistry","2020","85","20","13330","13338","10.1021/acs.joc.0c01979","","x-ray","0.71073","MoKα","","0.0768","0.0522","","","0.1304","0.143","","","","","","1.069","","","","has coordinates,has disorder","258716","2020-11-04","01:30:35",""
"4038860","22.801","0.005","17.372","0.004","13.239","0.003","90","","94.494","0.007","90","","5228","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 N O6.5 -","- C22 H28 N O6.5 -","- C176 H224 N8 O52 -","8","1","","Xiong, Wei; Wang, Xiaohong; Shen, Xianyan; Hu, Cuifang; Wang, Xin; Wang, Fei; Zhang, Guolin; Wang, Chun","Synthesis of Flavonols via Pyrrolidine Catalysis: Origins of the Selectivity for Flavonol versus Aurone.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01869","","","1.34138","GaKα","","0.0706","0.0632","","","0.2012","0.2102","","","","","","1.066","","","","has coordinates,has disorder","256958","2020-10-21","18:00:00",""
"4038861","7.756","0.003","43.788","0.014","9.04","0.003","90","","114.516","0.008","90","","2793.4","1.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H41 Br O4 Si -","- C26 H41 Br O4 Si -","- C104 H164 Br4 O16 Si4 -","4","2","","Kleiner, Yolanda; Hammann, Peter; Becker, Jonathan; Bauer, Armin; Pöverlein, Christoph; Schuler, Sören M M","Total Synthesis and Structure Revision of (-)-Avicennone C.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01792","","","0.71073","MoKα","","0.0811","0.0527","","","0.0994","0.1105","","","","","","1.039","","","","has coordinates,has disorder","256959","2020-10-21","18:00:00",""
"4038862","24.0111","0.0015","24.0111","0.0015","22.65","0.002","90","","90","","120","","11309","1.4","100","2","100","2","","","","","","","","3","P 65","P 65","170","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C450 H480 O90 -","30","5","","Kleiner, Yolanda; Hammann, Peter; Becker, Jonathan; Bauer, Armin; Pöverlein, Christoph; Schuler, Sören M M","Total Synthesis and Structure Revision of (-)-Avicennone C.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01792","","","1.54178","CuKα","","0.0851","0.0696","","","0.1835","0.1986","","","","","","1.041","","","","has coordinates,has disorder","256960","2020-10-21","18:00:00",""
"4038863","10.676","0.004","8.467","0.003","11.173","0.004","90","","106.897","0.004","90","","966.4","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C52 H42 N2 O4 -","2","1","","Debnath, Sudipto; Das, Tuluma; Pati, Tanmay K.; Majumdar, Swapan; Maiti, Dilip K.","Metal-Free Indole-Phenacyl Bromide Cyclization: A Regioselective Synthesis of 3,5-Diarylcarbazoles.","The Journal of organic chemistry","2020","85","20","13272","13279","10.1021/acs.joc.0c01670","","","0.71073","MoKα","","0.0422","0.0358","","","0.0915","0.0983","","","","","","0.846","","","","has coordinates","258718","2020-11-04","01:30:53",""
"4038864","10.434","0.0007","6.0505","0.0004","29.2143","0.0019","90","","96.876","0.002","90","","1831.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 O3 P -","- C22 H21 O3 P -","- C88 H84 O12 P4 -","4","1","","Han, Zeyu; Röhner, David; Samedov, Kerim; Gates, Derek P.","Isolable Phosphaalkenes Bearing 2,4,6-Trimethoxyphenyl and 2,6-Bis(trifluoromethyl)phenyl as P-Substituents.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01514","","","0.71073","MoKα","","0.075","0.051","","","0.1111","0.1206","","","","","","1.08","","","","has coordinates","256962","2020-10-21","18:00:00",""
"4038865","10.6804","0.0004","7.2713","0.0003","12.814","0.0005","90","","90.712","0.002","90","","995.06","0.07","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 O3 P -","- C9 H13 O3 P -","- C36 H52 O12 P4 -","4","1","","Han, Zeyu; Röhner, David; Samedov, Kerim; Gates, Derek P.","Isolable Phosphaalkenes Bearing 2,4,6-Trimethoxyphenyl and 2,6-Bis(trifluoromethyl)phenyl as P-Substituents.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01514","","","0.71073","MoKα","","0.0496","0.0363","","","0.1205","0.1339","","","","","","0.954","","","","has coordinates","256963","2020-10-21","18:00:00",""
"4038866","9.7568","0.0003","16.9083","0.0005","11.2062","0.0003","90","","94.842","0.002","90","","1842.1","0.09","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 F6 P -","- C21 H13 F6 P -","- C84 H52 F24 P4 -","4","1","","Han, Zeyu; Röhner, David; Samedov, Kerim; Gates, Derek P.","Isolable Phosphaalkenes Bearing 2,4,6-Trimethoxyphenyl and 2,6-Bis(trifluoromethyl)phenyl as P-Substituents.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01514","","","1.54178","CuKα","","0.0637","0.0463","","","0.1129","0.1233","","","","","","1.022","","","","has coordinates","256964","2020-10-21","18:00:00",""
"4038867","21.8967","0.0007","8.026","0.0002","25.7249","0.0011","90","","111.928","0.004","90","","4193.9","0.3","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H58 N2 P4 -","- C42 H58 N2 P4 -","- C168 H232 N8 P16 -","4","0.5","","Musina, Elvira I.; Wittmann, Tatiana I.; Musin, Lenar; Balueva, Anna S.; Shpagina, Alena S.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Dynamic covalent chemistry approach toward 18-membered P<sub>4</sub>N<sub>2</sub> macrocycles and their nickel(II) complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01317","","","0.71073","MoKα","","0.061","0.043","","","0.093","0.101","","","","","","1.028","","","","has coordinates","257185","2020-10-21","18:00:00",""
"4038868","12.6527","0.0007","13.775","0.0007","16.0646","0.0005","104.584","0.004","98.638","0.003","115.784","0.005","2329","0.2","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H66 N2 P4 -","- C48 H66 N2 P4 -","- C96 H132 N4 P8 -","2","1","","Musina, Elvira I.; Wittmann, Tatiana I.; Musin, Lenar; Balueva, Anna S.; Shpagina, Alena S.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Dynamic covalent chemistry approach toward 18-membered P<sub>4</sub>N<sub>2</sub> macrocycles and their nickel(II) complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01317","","","0.71073","MoKα","","0.1245","0.0601","","","0.0995","0.1246","","","","","","1.008","","","","has coordinates,has disorder","257185","2020-10-21","18:00:00",""
"4038869","11.3964","0.0005","13.8689","0.0007","15.4979","0.0007","106.832","0.004","103.174","0.004","105.045","0.004","2139.1","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H62 N2 P4 -","- C44 H62 N2 P4 -","- C88 H124 N4 P8 -","2","1","","Musina, Elvira I.; Wittmann, Tatiana I.; Musin, Lenar; Balueva, Anna S.; Shpagina, Alena S.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Dynamic covalent chemistry approach toward 18-membered P<sub>4</sub>N<sub>2</sub> macrocycles and their nickel(II) complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01317","","","0.71073","MoKα","","0.0972","0.0503","","","0.0991","0.118","","","","","","0.995","","","","has coordinates","257185","2020-10-21","18:00:00",""
"4038870","10.11","0.03","11.896","0.016","12.699","0.017","113.23","0.016","104.32","0.02","98.18","0.02","1310","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1,10-Di(4?-methylbenzyl)-3,8,12,17-(RSSR)-tetra(pyridine-2?-yl)-3,8,12,17- tetraoxo-1,10-diaza?3,8,12,17?tetraphosphacyclooctadecane","","- C24 H29 N3 O2 P2 -","- C24 H29 N3 O2 P2 -","- C48 H58 N6 O4 P4 -","2","1","","Musina, Elvira I.; Wittmann, Tatiana I.; Musin, Lenar; Balueva, Anna S.; Shpagina, Alena S.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Dynamic covalent chemistry approach toward 18-membered P<sub>4</sub>N<sub>2</sub> macrocycles and their nickel(II) complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01317","","","0.71073","MoKα","","0.2882","0.0788","","","0.1697","0.2549","","","","","","0.891","","","","has coordinates","257185","2020-10-21","18:00:00",""
"4038871","13.1558","0.0002","21.3869","0.0003","16.3943","0.0003","90","","108.413","0.002","90","","4376.58","0.13","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 B2 F8 N2 Ni P4 -","- C42 H58 B2 F8 N2 Ni P4 -","- C168 H232 B8 F32 N8 Ni4 P16 -","4","1","","Musina, Elvira I.; Wittmann, Tatiana I.; Musin, Lenar; Balueva, Anna S.; Shpagina, Alena S.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Dynamic covalent chemistry approach toward 18-membered P<sub>4</sub>N<sub>2</sub> macrocycles and their nickel(II) complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01317","","","0.71073","MoKα","","0.0737","0.0449","","","0.0906","0.1017","","","","","","1.028","","","","has coordinates","257185","2020-10-21","18:00:00",""
"4038872","10.99","0.0017","13.243","0.002","20.297","0.003","88.718","0.002","84.969","0.002","71.022","0.002","2782.6","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","[(1,10-Di(4?-methylbenzyl)-3,8,12,17-(RSSR)-tetra(pyridine-2?-yl)-1,10-diaza?3,8,12,17? tetraphosphacyclooctadecane)nickel(II) tetrafluoroborate","","- C48 H58 B2 F8 N6 Ni P4 -","- C48 H58 B2 F8 N6 Ni P4 -","- C96 H116 B4 F16 N12 Ni2 P8 -","2","1","","Musina, Elvira I.; Wittmann, Tatiana I.; Musin, Lenar; Balueva, Anna S.; Shpagina, Alena S.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Dynamic covalent chemistry approach toward 18-membered P<sub>4</sub>N<sub>2</sub> macrocycles and their nickel(II) complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01317","","","0.71073","MoKα","","0.0662","0.0483","","","0.1371","0.153","","","","","","0.984","","","","has coordinates","257185","2020-10-21","18:00:00",""
"4038873","10.957","0.003","19.503","0.004","13.36","0.003","90","","106.509","0.003","90","","2737.3","1.1","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","[(1,10-Di((R)-(1?-phenylethyl)-3,8,12,17-(RSSR)-tetra(4-methylpyridine-2?-yl)-1,10-diaza? 3,8,12,17?tetraphosphacyclooctadecane)nickel(II) tetrafluoroborate","","- C52 H66 B2 F8 N6 Ni O0 P4 -","- C52 H66 B2 F8 N6 Ni P4 -","- C104 H132 B4 F16 N12 Ni2 P8 -","2","1","","Musina, Elvira I.; Wittmann, Tatiana I.; Musin, Lenar; Balueva, Anna S.; Shpagina, Alena S.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Dynamic covalent chemistry approach toward 18-membered P<sub>4</sub>N<sub>2</sub> macrocycles and their nickel(II) complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01317","","","0.71073","MoKα","","0.0841","0.0587","","","0.1531","0.1738","","","","","","0.968","","","","has coordinates","257185","2020-10-21","18:00:00",""
"4038874","8.1218","0.0009","11.2194","0.001","13.0487","0.001","65.267","0.008","79.27","0.008","78.503","0.008","1051.2","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N2 O6 -","- C21 H27 N2 O6 -","- C42 H54 N4 O12 -","2","1","","Chen, Yanhui; Lv, Weiwei; Ba, Dan; Wen, Si; Cheng, Guolin","Palladium-Catalyzed Chemoselective Synthesis of 2-Aminocinnamyl Esters via Sequential Amination and Olefination of Aryl Iodides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01695","","x-ray","0.71073","MoKα","","0.1063","0.0664","","","0.1515","0.1733","","","","","","0.989","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4038875","6.7505","0.0001","13.9462","0.0001","22.3174","0.0002","90","","90","","90","","2101.05","0.04","169.99","0.1","169.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O4 -","- C24 H27 N O4 -","- C96 H108 N4 O16 -","4","1","","Zhen, Li; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Construction of the Erythrinane Core Skeleton via Asymmetric Catalytic Cascade Reaction of Tertiary Enamides.","The Journal of organic chemistry","2020","85","20","13211","13219","10.1021/acs.joc.0c01992","","x-ray","1.54184","CuKα","","0.0342","0.0318","","","0.0794","0.0821","","","","","","1.051","","","","has coordinates","258717","2020-11-04","01:30:45",""
"4038876","6.0637","0.0001","16.8612","0.0002","19.9302","0.0002","90","","90","","90","","2037.69","0.05","169.99","0.11","169.99","0.11","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O4 -","- C24 H27 N O4 -","- C96 H108 N4 O16 -","4","1","","Zhen, Li; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Construction of the Erythrinane Core Skeleton via Asymmetric Catalytic Cascade Reaction of Tertiary Enamides.","The Journal of organic chemistry","2020","85","20","13211","13219","10.1021/acs.joc.0c01992","","x-ray","1.54184","CuKα","","0.0441","0.0415","","","0.1055","0.1116","","","","","","1.069","","","","has coordinates","258717","2020-11-04","01:30:45",""
"4038877","6.3659","0.0002","17.1828","0.0006","20.1654","0.0008","66.231","0.002","89.24","0.002","89.986","0.002","2018.46","0.13","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C93 H65 Cl3 O7 -","- C93 H63 Cl3 O7 -","- C93 H63 Cl3 O7 -","1","1","","Zhang, Xiang-Zhi; Li, Bao Qiong; Qiu, Zong-Wang; Ma, Aijun; Peng, Jin-Bao; Du, Ji-Yuan; Feng, Na; Xu, Xue-Tao; Pan, Han-Peng","Synthesis of Naphthopyrans <i>via</i> Formal (3+3)-Annulation of Propargylic (Aza)-<i>para</i>-Quinone Methides with Naphthols.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01791","","","1.54178","CuKα","","0.0697","0.0619","","","0.1647","0.173","","","","","","1.019","","","","has coordinates,has disorder","258237","2020-10-21","18:00:00",""
"4038878","6.4266","0.0003","15.5268","0.0006","16.3329","0.0006","90","","90","","90","","1629.77","0.12","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Br N O2 -","- C20 H18 Br N O2 -","- C80 H72 Br4 N4 O8 -","4","1","","Yadav, Jyothi; Pawar, Amol Prakash; Nagare, Yadav Kacharu; Iype, Eldhose; Rangan, Krishnan; Ohshita, Joji; Kumar, Dalip; Kumar, Indresh","Direct Amine-Catalyzed Enantioselective Synthesis of Pentacyclic Dibenzo[<i>b</i>,<i>f</i>][1,4]oxazepine/Thiazepine-Fused Isoquinuclidines along with DFT Calculations.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02141","","x-ray","0.71073","MoKα","","0.0311","0.0258","","","0.0598","0.0615","","","","","","1.073","","","","has coordinates","258277","2020-10-21","18:00:00",""
"4038879","9.3426","0.0009","21.642","0.002","7.3217","0.0007","90","","95.5215","0.0019","90","","1473.5","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 O4 -","- C16 H24 O4 -","- C64 H96 O16 -","4","1","","El-Hage, Firas; Schöll, Christopher; Pospech, Jola","Photo-mediated Decarboxylative Giese-Type Reaction using Organic Pyrimidopteridine Photoredox Catalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01955","","","0.71073","MoKα","","0.0522","0.041","","","0.105","0.1157","","","","","","1.028","","","","has coordinates","258278","2020-10-21","18:00:00",""
"4038880","29.9197","0.0013","21.7163","0.0008","12.1918","0.0004","90","","90","","90","","7921.6","0.5","200","2","200","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C90 H108 N6 -","- C90 H108 N6 -","- C360 H432 N24 -","4","0.5","","Schick, Tobias H. G.; Rominger, Frank; Mastalerz, Michael","Examination of the Dynamic Covalent Chemistry of [2 + 3]-Imine Cages.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01887","","","1.54178","CuKα","","0.1258","0.0614","","","0.1262","0.1555","","","","","","1.063","","","","has coordinates,has disorder","258307","2020-10-21","18:00:00",""
"4038881","11.9345","0.0003","11.9345","0.0003","40.593","0.002","90","","90","","120","","5007.1","0.3","200","2","200","2","","","","","","","","3","P 3 1 c","P 3 -2c","159","","","","- C48 H66 N8 -","- C48 H66 N8 -","- C192 H264 N32 -","4","0.666667","","Schick, Tobias H. G.; Rominger, Frank; Mastalerz, Michael","Examination of the Dynamic Covalent Chemistry of [2 + 3]-Imine Cages.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01887","","","1.54178","CuKα","","0.2291","0.1747","","","0.391","0.4431","","","","","","1.724","","","","has coordinates","258307","2020-10-21","18:00:00",""
"4038882","13.1663","0.0008","14.0425","0.0008","18.3518","0.001","71.914","0.004","88.948","0.005","85.804","0.005","3216.7","0.3","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H84 N6 -","- C66 H84 N6 -","- C132 H168 N12 -","2","1","","Schick, Tobias H. G.; Rominger, Frank; Mastalerz, Michael","Examination of the Dynamic Covalent Chemistry of [2 + 3]-Imine Cages.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01887","","","1.54178","CuKα","","0.1243","0.0754","","","0.1913","0.2201","","","","","","1.044","","","","has coordinates","258307","2020-10-21","18:00:00",""
"4038883","7.919","0.002","34.155","0.009","7.5867","0.0019","90","","92.857","0.009","90","","2049.5","0.9","299","2","298.92","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N4 O2 -","- C24 H20 N4 O2 -","- C96 H80 N16 O8 -","4","1","","Beesu, Mallesh; Mehta, Goverdhan","Orthogonal Strapping of o-Haloaryl Ynones with Pyrazolones: A One-Pot, Domino Process toward Spiropyrazolones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02087","","","0.71073","MoKα","","0.0621","0.0508","","","0.1243","0.1304","","","","","","1.15","","","","has coordinates","258312","2020-10-21","18:00:00",""
"4038884","52.965","0.015","8.731","0.002","14.249","0.004","90","","90","","90","","6589","3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C320 H256 N32 O32 -","16","2","","Beesu, Mallesh; Mehta, Goverdhan","Orthogonal Strapping of o-Haloaryl Ynones with Pyrazolones: A One-Pot, Domino Process toward Spiropyrazolones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02087","","","0.71073","MoKα","","0.1202","0.0665","","","0.1315","0.1482","","","","","","1.116","","","","has coordinates","258313","2020-10-21","18:00:00",""
"4038885","7.7764","0.0002","16.2542","0.0006","17.3988","0.0006","62.893","0.004","87.319","0.003","78.993","0.003","1919.58","0.13","249.97","0.18","249.97","0.18","","","","","","","","4","P -1","-P 1","2","","","","- C48.05 H40 N4 O4 -","- C48.04 H40 N4 O4 -","- C96.08 H80 N8 O8 -","2","1","","Beesu, Mallesh; Mehta, Goverdhan","Orthogonal Strapping of o-Haloaryl Ynones with Pyrazolones: A One-Pot, Domino Process toward Spiropyrazolones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02087","","x-ray","0.71073","MoKα","","0.1243","0.0618","","","0.1579","0.1964","","","","","","1.001","","","","has coordinates","258314","2020-10-21","18:00:00",""
"4038886","7.9652","0.0007","8.0725","0.0008","30.441","0.003","95.554","0.004","95.804","0.004","96.061","0.004","1925","0.3","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H34 N6 O4 -","- C48 H34 N6 O4 -","- C96 H68 N12 O8 -","2","1","","Beesu, Mallesh; Mehta, Goverdhan","Orthogonal Strapping of o-Haloaryl Ynones with Pyrazolones: A One-Pot, Domino Process toward Spiropyrazolones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02087","","","0.71073","MoKα","","0.1772","0.0851","","","0.1762","0.2081","","","","","","1.077","","","","has coordinates","258315","2020-10-21","18:00:00",""
"4038887","7.12","0.0006","7.8736","0.0006","21.6656","0.0019","90","","93.465","0.001","90","","1212.35","0.17","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Br2 F O2 S -","- C10 H7 Br2 F O2 S -","- C40 H28 Br8 F4 O8 S4 -","4","1","","Zhang, Zai-Wei; Wang, Shi-Meng; Fang, Wan-Yin; Lekkala, Ravindar; Qin, Hua-Li","A protocol for stereoselective construction of highly functionalized dienyl sulfonyl fluoride warheads.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01877","","","0.71073","MoKα","","0.0458","0.033","","","0.0786","0.0821","","","","","","1.092","","","","has coordinates","258316","2020-10-21","18:00:00",""
"4038888","10.5346","0.0005","15.4968","0.0007","10.755","0.0006","90","","110.95","0.004","90","","1639.71","0.15","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 Cl F6 N3 -","- C15 H16 Cl F6 N3 -","- C60 H64 Cl4 F24 N12 -","4","2","","Dinh, Andrew N.; Maddox, Sean M.; Vaidya, Sagar D.; Saputra, Mirza A.; Nalbandian, Christopher J.; Gustafson, Jeffrey L.","Catalyst-Controlled Regioselective Chlorination of Phenols and Anilines through a Lewis Basic Selenoether Catalyst","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01917","","x-ray","1.54178","CuKα","","0.1016","0.0638","","","0.1525","0.1775","","","","","","1.025","","","","has coordinates","258317","2020-10-21","18:00:00",""
"4038889","13.4355","0.0004","14.6914","0.0004","19.5353","0.0006","90","","90","","90","","3856","0.2","100","0.2","100","0.2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C192 H168 N8 O24 -","8","1","","Liu, Yu-Te; Cheng, Chi-Wei; Lu, Huan-Chang; Chang, Ting-Yu; Chen, Chun-Ying; Yang, Hao-Chun; Yu, Shih-Hsien; Zehra, Syeda; Liu, Shu-Hui; Leung, Man-Kit; Lee, Kwang-Ming; Chen, Hsiu-Hui","One-Pot CuI/DBU-Catalyzed Carboxylative Cyclization toward Oxazolidinones Using Recyclable Molecular Sieves as Efficient Promoters for Fixation of CO2 in Water Medium","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01833","","","1.54178","CuKα","","0.0262","0.0256","","","0.0662","0.0667","","","","","","1.093","","","","has coordinates","258348","2020-10-21","18:00:00",""
"4038890","6.1618","0.0005","8.7522","0.0006","20.3805","0.0017","88.042","0.006","84.239","0.007","78.625","0.006","1071.96","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H23 N O2 -","- C29 H23 N O2 -","- C58 H46 N2 O4 -","2","1","","Liu, Yu-Te; Cheng, Chi-Wei; Lu, Huan-Chang; Chang, Ting-Yu; Chen, Chun-Ying; Yang, Hao-Chun; Yu, Shih-Hsien; Zehra, Syeda; Liu, Shu-Hui; Leung, Man-Kit; Lee, Kwang-Ming; Chen, Hsiu-Hui","One-Pot CuI/DBU-Catalyzed Carboxylative Cyclization toward Oxazolidinones Using Recyclable Molecular Sieves as Efficient Promoters for Fixation of CO2 in Water Medium","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01833","","","0.71073","MoKα","","0.1434","0.0564","","","0.1379","0.1547","","","","","","1.009","","","","has coordinates","258349","2020-10-21","18:00:00",""
"4038891","6.9527","0.0002","6.30259","0.00016","7.5416","0.0002","90","","114.963","0.004","90","","299.6","0.017","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H3 Cl N4 -","- C5 H3 Cl N4 -","- C10 H6 Cl2 N8 -","2","0.5","","Korsik, Marat; Tse, Edwin; Smith, David G.; Lewis, William; Rutledge, Peter J.; Todd, Matthew H.","Tele-substitution Reactions in the Synthesis of a Promising Class of 1,2,4-Triazolo[4,3-a]pyrazine-Based Antimalarials.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01045","","x-ray","1.54184","CuKα","","0.0319","0.0319","","","0.0832","0.0832","","","","","","1.123","","","","has coordinates","258401","2020-10-21","18:00:00",""
"4038892","7.6546","0.0006","10.4869","0.0007","11.4484","0.0008","71.511","0.006","82.118","0.006","82.695","0.006","859.9","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N5 O -","- C20 H19 N5 O -","- C40 H38 N10 O2 -","2","1","","Korsik, Marat; Tse, Edwin; Smith, David G.; Lewis, William; Rutledge, Peter J.; Todd, Matthew H.","Tele-substitution Reactions in the Synthesis of a Promising Class of 1,2,4-Triazolo[4,3-a]pyrazine-Based Antimalarials.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01045","","x-ray","1.54184","CuKα","","0.0417","0.0358","","","0.0938","0.0987","","","","","","1.031","","","","has coordinates","258402","2020-10-21","18:00:00",""
"4038893","9.27494","0.00016","8.81723","0.00013","12.0155","0.0002","90","","92.8415","0.0017","90","","981.41","0.03","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N5 -","- C10 H13 N5 -","- C40 H52 N20 -","4","1","","Korsik, Marat; Tse, Edwin; Smith, David G.; Lewis, William; Rutledge, Peter J.; Todd, Matthew H.","Tele-substitution Reactions in the Synthesis of a Promising Class of 1,2,4-Triazolo[4,3-a]pyrazine-Based Antimalarials.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01045","","x-ray","1.54184","CuKα","","0.0347","0.0323","","","0.0863","0.0889","","","","","","1.068","","","","has coordinates","258403","2020-10-21","18:00:00",""
"4038894","8.3608","0.0001","16.9291","0.0001","23.1401","0.0002","90","","90","","90","","3275.27","0.05","99.9","0.4","99.9","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O4 S Si2 -","- C30 H50 O4 S Si2 -","- C120 H200 O16 S4 Si8 -","4","1","","Kim, Hyun Su; Park, Hyunkyung; Lim, Juhee; Lim, Changjin; Kim, Taewoo; Lee, Seungbeom; Hur, Joonseong; Sim, Jaehoon; Choi, Hyun Jin; Suh, Young-Ger","Collective Syntheses of Guaiane Sesquiterpenes: Stereoselective Syntheses of (+)-Dysodensiol F, (+)-10β,14-Dihydroxy-<i>allo</i>-aromadendrane, and (-)-Dendroside C Aglycon.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01907","","x-ray","1.54184","CuKα","","0.0287","0.0276","","","0.0721","0.073","","","","","","1.019","","","","has coordinates,has disorder","258404","2020-10-21","18:00:00",""
"4038895","10.878","0.006","17.189","0.01","8.189","0.005","90","","107.049","0.012","90","","1463.9","1.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N O -","- C20 H15 N O -","- C80 H60 N4 O4 -","4","1","","Shi, Wei; Ma, Fang; Li, Pinhua; Wang, Lei; Miao, Tao","Visible-Light-Induced Decarboxylative Cyclization/Hydrogenation Cascade Reaction to Access Phenanthridin-6-yl(aryl)methanol by an Electron Donor‒Acceptor Complex","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01916","","","0.71073","MoKα","","0.108","0.0541","","","0.1256","0.1587","","","","","","0.999","","","","has coordinates","258432","2020-10-21","18:00:00",""
"4038896","8.1816","0.0005","17.041","0.0009","12.2796","0.0008","90","","107.688","0.007","90","","1631.12","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H37 Cl2 N3 Pd -","- C38 H37 Cl2 N3 Pd -","- C76 H74 Cl4 N6 Pd2 -","2","1","","Kumar, Anuj; Kumar, Manoj; Verma, Akhilesh K.","Well-Defined Palladium N-Heterocyclic Carbene Complexes: Direct C‒H Bond Arylation of Heteroarenes","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02024","","","0.71073","MoKα","","0.0242","0.0228","","","0.0544","0.0553","","","","","","1.056","","","","has coordinates","258452","2020-10-21","18:00:00",""
"4038897","21.7121","0.0008","21.2886","0.0008","16.5409","0.0007","90","","111.614","0.002","90","","7108","0.5","298","2","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cl3 N3 Pd -","- C38 H36 Cl3 N3 Pd -","- C304 H288 Cl24 N24 Pd8 -","8","2","","Kumar, Anuj; Kumar, Manoj; Verma, Akhilesh K.","Well-Defined Palladium N-Heterocyclic Carbene Complexes: Direct C‒H Bond Arylation of Heteroarenes","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02024","","x-ray","0.71073","MoKα","","0.0928","0.0468","","","0.1056","0.1241","","","","","","1.016","","","","has coordinates,has disorder","258453","2020-10-21","18:00:00",""
"4038898","15.5895","0.0005","14.6791","0.0006","19.4121","0.0007","90","","94.969","0.003","90","","4425.6","0.3","298","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H47 Cl2 N2 P Pd -","- C51 H47 Cl2 N2 P Pd -","- C204 H188 Cl8 N8 P4 Pd4 -","4","1","","Kumar, Anuj; Kumar, Manoj; Verma, Akhilesh K.","Well-Defined Palladium N-Heterocyclic Carbene Complexes: Direct C‒H Bond Arylation of Heteroarenes","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02024","","","0.71073","MoKα","","0.0644","0.0451","","","0.0931","0.1024","","","","","","1.045","","","","has coordinates,has disorder","258454","2020-10-21","18:00:00",""
"4038899","31.5592","0.0013","12.8309","0.0005","8.3107","0.0003","90","","94.379","0.003","90","","3355.5","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 N O7 S8 -","- C28 H35 N O7 S8 -","- C112 H140 N4 O28 S32 -","4","1","","Hupatz, Henrik; Gaedke, Marius; Schröder, Hendrik V; Beerhues, Julia; Valkonen, Arto; Klautzsch, Fabian; Müller, Sebastian; Witte, Felix; Rissanen, Kari; Sarkar, Biprajit; Schalley, Christoph A.","Thermodynamic and electrochemical study of tailor-made crown ethers for redox-switchable (pseudo)rotaxanes","Beilstein Journal of Organic Chemistry","2020","16","","2576","2588","10.3762/bjoc.16.209","","","1.54184","CuKα","","0.0528","0.0377","","","0.0807","0.086","","","","","","1.034","","","","has coordinates","258521","2020-10-21","05:25:51",""
"4038900","19.695","0.004","9.1282","0.0016","21.618","0.004","90","","96.451","0.011","90","","3861.9","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H46 N2 O12 -","- C46 H46 N2 O12 -","- C184 H184 N8 O48 -","4","2","","Hupatz, Henrik; Gaedke, Marius; Schröder, Hendrik V; Beerhues, Julia; Valkonen, Arto; Klautzsch, Fabian; Müller, Sebastian; Witte, Felix; Rissanen, Kari; Sarkar, Biprajit; Schalley, Christoph A.","Thermodynamic and electrochemical study of tailor-made crown ethers for redox-switchable (pseudo)rotaxanes","Beilstein Journal of Organic Chemistry","2020","16","","2576","2588","10.3762/bjoc.16.209","","","1.54178","CuKα","","0.0579","0.0449","","","0.0998","0.1064","","","","","","1.031","","","","has coordinates,has disorder","258523","2020-10-21","05:26:23",""
"4038901","13.6717","0.0013","9.8821","0.001","28.639","0.003","90","","90.657","0.004","90","","3869","0.7","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 N4 O10 -","- C44 H50 N4 O10 -","- C176 H200 N16 O40 -","4","1","","Hupatz, Henrik; Gaedke, Marius; Schröder, Hendrik V; Beerhues, Julia; Valkonen, Arto; Klautzsch, Fabian; Müller, Sebastian; Witte, Felix; Rissanen, Kari; Sarkar, Biprajit; Schalley, Christoph A.","Thermodynamic and electrochemical study of tailor-made crown ethers for redox-switchable (pseudo)rotaxanes","Beilstein Journal of Organic Chemistry","2020","16","","2576","2588","10.3762/bjoc.16.209","","","0.71073","MoKα","","0.0664","0.0522","","","0.1187","0.1254","","","","","","1.088","","","","has coordinates,has disorder","258524","2020-10-21","05:26:49",""
"4038902","20.1817","0.0004","5.8935","0.0001","21.8822","0.0005","90","","108.294","0.001","90","","2471.14","0.09","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H35 N O5 -","- C24 H35 N O5 -","- C96 H140 N4 O20 -","4","1","","Zheng, Kuan; Shen, Defeng; Zhang, Bingbing; Hong, Ran","The Landscape of Lankacidin Biomimetic Synthesis: Structural Revisions and Biogenetic Implications.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01930","","","1.54178","CuKα","","0.0634","0.0515","","","0.1373","0.1538","","","","","","1.059","","","","has coordinates","258532","2020-10-21","23:21:46",""
"4038903","5.9728","0.0004","12.6582","0.0008","31.5671","0.0019","90","","90","","90","","2386.6","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 N O5 -","- C24 H34 N O5 -","- C96 H136 N4 O20 -","4","1","","Zheng, Kuan; Shen, Defeng; Zhang, Bingbing; Hong, Ran","The Landscape of Lankacidin Biomimetic Synthesis: Structural Revisions and Biogenetic Implications.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01930","","","1.54178","CuKα","","0.0985","0.0586","","","0.1533","0.1829","","","","","","0.91","","","","has coordinates","258532","2020-10-21","23:21:47",""
"4038904","10.1898","0.0017","20.428","0.003","24.565","0.004","90","","90","","90","","5113.4","1.4","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H69 N O8 Si2 -","- C49 H69 N O8 Si2 -","- C196 H276 N4 O32 Si8 -","4","1","","Zheng, Kuan; Shen, Defeng; Zhang, Bingbing; Hong, Ran","The Landscape of Lankacidin Biomimetic Synthesis: Structural Revisions and Biogenetic Implications.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01930","","","0.71073","MoKα","","0.1108","0.0615","","","0.1546","0.181","","","","","","1.015","","","","has coordinates","258532","2020-10-21","23:21:48",""
"4038905","6.9385","0.0002","11.2966","0.0004","16.5485","0.0006","90","","93.908","0.001","90","","1294.08","0.08","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H35 N O7 -","- C25 H35 N O7 -","- C50 H70 N2 O14 -","2","1","","Zheng, Kuan; Shen, Defeng; Zhang, Bingbing; Hong, Ran","The Landscape of Lankacidin Biomimetic Synthesis: Structural Revisions and Biogenetic Implications.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01930","","","1.54178","CuKα","","0.0505","0.0394","","","0.1114","0.118","","","","","","1.06","","","","has coordinates","258532","2020-10-21","23:21:48",""
"4038906","5.1493","0.0004","24.3955","0.0012","34.606","0.003","90","","90","","90","","4347.2","0.5","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H43 Br3 N O8 -","- C45 H43 Br3 N O8 -","- C180 H172 Br12 N4 O32 -","4","1","","Zheng, Kuan; Shen, Defeng; Zhang, Bingbing; Hong, Ran","The Landscape of Lankacidin Biomimetic Synthesis: Structural Revisions and Biogenetic Implications.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01930","","","1.54178","CuKα","","0.1724","0.1129","","","0.3081","0.3554","","","","","","1.127","","","","has coordinates,has disorder","258532","2020-10-21","23:21:48",""
"4038907","13.0523","0.0014","10.5054","0.0011","17.776","0.0019","90","","98.567","0.002","90","","2410.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O3 S -","- C29 H24 N2 O3 S -","- C116 H96 N8 O12 S4 -","4","1","","Ge, Junying; Ding, Qiuping; Long, Xujing; Liu, Xuan; Peng, Yiyuan","Copper(II)-Catalyzed Domino Synthesis of 4-Benzenesulfonyl Isoxazoles from 2-Nitro-1,3-enynes, Amines, and Sodium Benzenesulfinate","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01964","","","0.71073","MoKα","","0.0572","0.0401","","","0.1019","0.1104","","","","","","1.031","","","","has coordinates","258533","2020-10-21","23:22:25",""
"4038908","21.1613","0.0017","8.9412","0.0007","10.6525","0.0009","90","","90","","90","","2015.5","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H25 N O8 -","- C22 H25 N O8 -","- C88 H100 N4 O32 -","4","1","","Zhao, Yinjiao; Li, Yuda; Wang, Bei; Zhao, Jingfeng; Li, Liang; Luo, Xiao-Dong; Zhang, Hongbin","Total Synthesis of Dactylicapnosines A and B.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01900","","","0.71073","MoKα","","0.0383","0.0355","","","0.0917","0.094","","","","","","1.074","","","","has coordinates","258534","2020-10-21","23:23:36",""
"4038909","13.7326","0.0016","9.2331","0.0011","19.795","0.002","90","","94.273","0.002","90","","2502.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 N O10 -","- C26 H33 N O10 -","- C104 H132 N4 O40 -","4","1","","Zhao, Yinjiao; Li, Yuda; Wang, Bei; Zhao, Jingfeng; Li, Liang; Luo, Xiao-Dong; Zhang, Hongbin","Total Synthesis of Dactylicapnosines A and B.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01900","","","0.71073","MoKα","","0.0575","0.0433","","","0.1171","0.1266","","","","","","1.036","","","","has coordinates,has disorder","258534","2020-10-21","23:23:36",""
"4038910","12.2847","0.0014","17.7579","0.0019","12.6581","0.0014","90","","116.277","0.002","90","","2476","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N O10 -","- C26 H31 N O10 -","- C104 H124 N4 O40 -","4","1","","Zhao, Yinjiao; Li, Yuda; Wang, Bei; Zhao, Jingfeng; Li, Liang; Luo, Xiao-Dong; Zhang, Hongbin","Total Synthesis of Dactylicapnosines A and B.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01900","","","0.71073","MoKα","","0.073","0.0475","","","0.1175","0.1305","","","","","","1.029","","","","has coordinates","258534","2020-10-21","23:23:37",""
"4038911","8.0864","0.0013","12.184","0.002","15.082","0.003","104.931","0.003","105.413","0.002","92.31","0.003","1374.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H33 Cl2 N O10 -","- C27 H33 Cl2 N O10 -","- C54 H66 Cl4 N2 O20 -","2","1","","Zhao, Yinjiao; Li, Yuda; Wang, Bei; Zhao, Jingfeng; Li, Liang; Luo, Xiao-Dong; Zhang, Hongbin","Total Synthesis of Dactylicapnosines A and B.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01900","","","0.71073","MoKα","","0.1213","0.1029","","","0.3081","0.3293","","","","","","1.071","","","","has coordinates","258534","2020-10-21","23:23:37",""
"4038912","10.3752","0.0002","9.7872","0.0002","21.5064","0.0005","90","","100.142","0.001","90","","2149.73","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O10 -","- C23 H25 N O10 -","- C92 H100 N4 O40 -","4","1","","Zhao, Yinjiao; Li, Yuda; Wang, Bei; Zhao, Jingfeng; Li, Liang; Luo, Xiao-Dong; Zhang, Hongbin","Total Synthesis of Dactylicapnosines A and B.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01900","","","1.54178","CuKα","","0.0479","0.0375","","","0.0891","0.0962","","","","","","1.039","","","","has coordinates","258534","2020-10-21","23:23:37",""
"4038913","11.4151","0.0005","11.6462","0.0005","12.5464","0.0006","94.5164","0.0013","93.3913","0.0013","106.558","0.0012","1588","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H48 N4 O2 -","- C36 H48 N4 O2 -","- C72 H96 N8 O4 -","2","1","","Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian","Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01989","","","1.54178","CuKα","","0.0501","0.0487","","","0.1309","0.1322","","","","","","1.155","","","","has coordinates,has disorder","258535","2020-10-21","23:25:56",""
"4038914","16.1303","0.0007","11.074","0.0005","17.9593","0.0008","90","","97.4689","0.0017","90","","3180.8","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 N4 O2 -","- C36 H48 N4 O2 -","- C144 H192 N16 O8 -","4","1","","Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian","Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01989","","","0.71073","MoKα","","0.053","0.0432","","","0.1159","0.1222","","","","","","1.064","","","","has coordinates,has disorder","258535","2020-10-21","23:25:58",""
"4038915","13.3711","0.0005","12.805","0.0005","20.1366","0.0007","90","","90","","90","","3447.7","0.2","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C38 H54 N4 O2 -","- C38 H54 N4 O2 -","- C152 H216 N16 O8 -","4","1","","Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian","Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01989","","","0.71073","MoKα","","0.0551","0.0432","","","0.1085","0.1157","","","","","","1.052","","","","has coordinates,has disorder","258535","2020-10-21","23:25:58",""
"4038916","7.7374","0.0013","10.168","0.0015","11.5734","0.0019","66.641","0.006","84.803","0.007","82.683","0.007","828.3","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H54 N4 O2 -","- C38 H54 N4 O2 -","- C38 H54 N4 O2 -","1","0.5","","Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian","Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01989","","","0.71073","MoKα","","0.0746","0.0571","","","0.154","0.1626","","","","","","1.085","","","","has coordinates","258535","2020-10-21","23:26:00",""
"4038917","8.6099","0.0004","13.0696","0.0005","15.3288","0.0006","75.546","0.002","85.851","0.002","73.985","0.002","1605.48","0.12","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H48 N4 O2 -","- C36 H48 N4 O2 -","- C72 H96 N8 O4 -","2","2","","Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian","Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01989","","","1.54178","CuKα","","0.0422","0.0393","","","0.1045","0.1066","","","","","","1.073","","","","has coordinates,has disorder","258535","2020-10-21","23:26:01",""
"4038918","28.938","0.002","15.8655","0.0009","16.4572","0.0011","90","","120.87","0.002","90","","6485.4","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H48 N4 O2 -","- C35.9865 H47.9815 N3.9985 O1.9995 -","- C287.892 H383.852 N31.988 O15.996 -","8","1","","Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian","Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01989","","","0.71073","MoKα","","0.0843","0.0671","","","0.1789","0.1887","","","","","","1.14","","","","has coordinates,has disorder","258535","2020-10-21","23:26:01",""
"4038919","11.2338","0.0005","12.1485","0.0005","24.1749","0.001","90","","95.6697","0.0018","90","","3283.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 N4 O2 -","- C36 H50 N4 O2 -","- C144 H200 N16 O8 -","4","1","","Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian","Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01989","","","0.71073","MoKα","","0.0647","0.0582","","","0.1541","0.1579","","","","","","1.128","","","","has coordinates,has disorder","258535","2020-10-21","23:26:01",""
"4038920","9.5399","0.0002","9.9824","0.0002","13.668","0.0003","90","","90","","90","","1301.62","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Su, Li-Hua; Geng, Chang-An; Li, Tian-Ze; Ma, Yun-Bao; Huang, Xiao-Yan; Zhang, Xue-Mei; Chen, Ji-Jun","Artatrovirenols A and B: Two Cagelike Sesquiterpenoids from Artemisia atrovirens","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01491","","","1.54178","CuKα","","0.0308","0.0306","","","0.0804","0.0808","","","","","","1.097","","","","has coordinates","258566","2020-10-22","23:31:20",""
"4038921","9.5603","0.0005","15.4396","0.0007","14.7968","0.0007","90","","92.646","0.002","90","","2181.79","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N3 O -","- C29 H25 N3 O -","- C116 H100 N12 O4 -","4","1","","Mondal, Rajarshi; Lozada, Issiah B.; Stotska, Olha; Herbert, David E.","Catalytic Synthesis of Luminescent Pyrimidines via Acceptor-less Dehydrogenative Coupling","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01882","","","0.71073","MoKα","","0.0948","0.0661","","","0.1498","0.1665","","","","","","1.029","","","","has coordinates","258586","2020-10-23","23:12:05",""
"4038922","11.7391","0.0006","12.2007","0.0007","13.0911","0.0007","102.355","0.0018","103.287","0.0018","104.958","0.0018","1686.84","0.16","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H29 N3 -","- C44 H29 N3 -","- C88 H58 N6 -","2","1","","Mondal, Rajarshi; Lozada, Issiah B.; Stotska, Olha; Herbert, David E.","Catalytic Synthesis of Luminescent Pyrimidines via Acceptor-less Dehydrogenative Coupling","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01882","","","0.71073","MoKα","","0.08","0.0603","","","0.1333","0.1441","","","","","","1.035","","","","has coordinates","258587","2020-10-23","23:12:29",""
"4038923","11.0745","0.0008","4.6972","0.0003","15.6995","0.0009","90","","100.785","0.006","90","","802.25","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate","","- C8 H7 N O2 S -","- C8 H7 N O2 S -","- C32 H28 N4 O8 S4 -","4","1","","Vogt, Astrid; Henne, Florian; Wetzel, Christoph; Mena-Osteritz, Elena; Bäuerle, Peter","Synthesis and characterization of S,N-heterotetracenes","Beilstein Journal of Organic Chemistry","2020","16","","2636","2644","10.3762/bjoc.16.214","","x-ray","0.71073","MoKα","","0.0513","0.0367","","","0.0757","0.0855","","","","","","1.032","","","","has coordinates","258611","2020-10-27","05:30:33",""
"4038924","18.7848","0.0018","30.833","0.003","16.9686","0.0018","90","","92.29","0.002","90","","9820.2","1.7","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C55 H80 N6 -","- C55 H80 N6 -","- C440 H640 N48 -","8","2","","Eaton, Mary C.; Knight, Brian J.; Brahmi, Robin; Ferreira, Ricardo B.; Catalano, Vincent J.; Rheingold, Arnold L.; Ghiviriga, Ion; Murray, Leslie J.","Synthetic Factors Governing Access to Tris(β-diketimine) Cyclophanes versus Tripodal Tri-β-aminoenones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01708","","x-ray","0.71073","MoKα","","0.1004","0.0663","","","0.1754","0.2086","","","","","","1.033","","","","has coordinates","258620","2020-10-28","00:21:58",""
"4038925","11.406","0.002","11.952","0.002","12.014","0.002","87.77","0.03","64.09","0.03","89.1","0.03","1472.1","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H43 N3 O3 -","- C30 H43 N3 O3 -","- C60 H86 N6 O6 -","2","1","","Eaton, Mary C.; Knight, Brian J.; Brahmi, Robin; Ferreira, Ricardo B.; Catalano, Vincent J.; Rheingold, Arnold L.; Ghiviriga, Ion; Murray, Leslie J.","Synthetic Factors Governing Access to Tris(β-diketimine) Cyclophanes versus Tripodal Tri-β-aminoenones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01708","","","0.71073","MoKα","","0.0893","0.0765","","","0.2279","0.2417","","","","","","1.034","","","","has coordinates,has disorder","258620","2020-10-28","00:21:59",""
"4038926","9.0147","0.0003","10.9941","0.0005","11.1906","0.0005","90","","90","","90","","1109.08","0.08","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 Cl2 O3 -","- C11 H8 Cl2 O3 -","- C44 H32 Cl8 O12 -","4","1","","Norseeda, Krissada; Chaisan, Nattawadee; Thongsornkleeb, Charnsak; Tummatorn, Jumreang; Ruchirawat, Somsak","Correction to ""Metal-Free Synthesis of 4-Chloroisocoumarins by TMSCl-Catalyzed NCS-Induced Chlorinative Annulation of 2-Alkynylaryloate Esters"".","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02380","","x-ray","0.71073","MoKα","K-L~3~","0.0349","0.0305","","","0.0796","0.0827","","","","","","1.037","","","","has coordinates","258639","2020-10-30","00:22:09",""
"4038927","10.818","0.005","10.444","0.005","10.9","0.005","90","","105.617","0.017","90","","1186.1","1","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 O3 -","- C12 H10 Cl2 O3 -","- C48 H40 Cl8 O12 -","4","1","","Norseeda, Krissada; Chaisan, Nattawadee; Thongsornkleeb, Charnsak; Tummatorn, Jumreang; Ruchirawat, Somsak","Correction to ""Metal-Free Synthesis of 4-Chloroisocoumarins by TMSCl-Catalyzed NCS-Induced Chlorinative Annulation of 2-Alkynylaryloate Esters"".","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02380","","x-ray","0.71073","MoKα","K-L~3~","0.0372","0.0317","","","0.0821","0.086","","","","","","1.035","","","","has coordinates","258640","2020-10-30","00:22:31",""
"4038928","9.4467","0.0002","28.7768","0.0006","10.3242","0.0002","90","","90","","90","","2806.59","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H35 Cl2 N3 O4 -","- C29 H35 Cl2 N3 O4 -","- C116 H140 Cl8 N12 O16 -","4","1","","Blasco-Brusola, Alejandro; Vayá, Ignacio; Miranda, Miguel A.","Influence of the Linking Bridge on the Photoreactivity of Benzophenone-Thymine Conjugates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02088","","x-ray","1.54178","CuKα","","0.0605","0.0492","","","0.1261","0.1332","","","","","","1.033","","","","has coordinates,has disorder","258641","2020-10-30","00:22:54",""
"4038929","9.6091","0.0005","10.3612","0.0006","12.9622","0.0009","85.879","0.005","77.215","0.005","80.871","0.004","1241.7","0.13","112","19","112","19","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 N2 O5 -","- C29 H30 N2 O5 -","- C58 H60 N4 O10 -","2","1","","Cui, Hai-Lei; Liu, Si-Wei; Xiao, Xue","Synthesis of Tetrahydroindolizino[8,7-b]indole Derivatives in the Presence of Fe(OTf)3 or CF3SO3H through Intramolecular Dearomatization of Indole","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02188","","x-ray","0.71073","MoKα","","0.0603","0.0469","","","0.1047","0.1129","","","","","","1.048","","","","has coordinates","258660","2020-10-31","00:22:18",""
"4038930","10.3387","0.0005","15.7767","0.0005","11.6622","0.0006","90","","115.548","0.006","90","","1716.24","0.16","292.76","0.1","292.76","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl N S2 -","- C19 H18 Cl N S2 -","- C76 H72 Cl4 N4 S8 -","4","1","","Jia, Hongbin; Min, Deng; Guo, Tianyun; Wu, Mingzhong; Wang, Xiaolei; Liu, Jian; Tang, Shouchu","Dithiane Induced [3+2] Cycloaddition Tactic for the Convergent Synthesis of Dihydropyrrole and Pyrrole Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01145","","","1.54184","CuKα","","0.0578","0.0516","","","0.1444","0.1529","","","","","","1.044","","","","has coordinates","259101","2020-11-12","00:22:57",""
"4038931","23.974","0.002","7.3487","0.0007","22.763","0.002","90","","90","","90","","4010.3","0.6","120","","120","","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C49 H38 N2 O5 S3 -","- C49 H38 N2 O5 S3 -","- C196 H152 N8 O20 S12 -","4","1","","Hempe, Matthias; Harrison, Alastair K.; Ward, Jonathan S.; Batsanov, Andrei S.; Fox, Mark A.; Dias, Fernando B.; Bryce, Martin R.","Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02174","","x-ray","0.71073","MoKα","","0.1254","0.1015","","","0.2622","0.2804","","","","","","1.054","","","","has coordinates,has disorder","259275","2020-11-29","00:07:59",""
"4038932","15.6023","0.0012","16.9894","0.0013","25.0925","0.0019","90","","96.251","0.0017","90","","6611.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39.5 H29 N2 O4.5 S3 -","- C39.5 H29 N2 O4.5 S3 -","- C316 H232 N16 O36 S24 -","8","2","","Hempe, Matthias; Harrison, Alastair K.; Ward, Jonathan S.; Batsanov, Andrei S.; Fox, Mark A.; Dias, Fernando B.; Bryce, Martin R.","Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02174","","","0.6889","synchrotron","","0.073","0.0655","","","0.1711","0.1769","","","","","","1.045","","","","has coordinates,has disorder","271326","2021-12-10","12:32:36",""
"4038933","7.3353","0.0009","13.8284","0.0016","19.709","0.002","96.934","0.007","93.806","0.007","105.314","0.006","1904","0.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H30 D6 N2 O5 S4 -","- C44 H30 D6 N2 O5 S4 -","- C88 H60 D12 N4 O10 S8 -","2","1","","Hempe, Matthias; Harrison, Alastair K.; Ward, Jonathan S.; Batsanov, Andrei S.; Fox, Mark A.; Dias, Fernando B.; Bryce, Martin R.","Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02174","","x-ray","1.54184","CuKα","","0.1482","0.0621","","","0.1292","0.1686","","","","","","0.979","","","","has coordinates,has disorder","259277","2020-11-29","00:08:46",""
"4038934","13.751","0.003","12.365","0.003","20.967","0.006","90","","104.142","0.009","90","","3457","1.5","120","","120","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C44 H34 N2 O4 S3 -","- C44 H34 N2 O4 S3 -","- C176 H136 N8 O16 S12 -","4","0.5","","Hempe, Matthias; Harrison, Alastair K.; Ward, Jonathan S.; Batsanov, Andrei S.; Fox, Mark A.; Dias, Fernando B.; Bryce, Martin R.","Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02174","","x-ray","0.71073","MoKα","","0.0701","0.0646","","","0.1422","0.1454","","","","","","1.15","","","","has coordinates,has disorder","259278","2020-11-29","00:09:08",""
"4038935","7.3272","0.0002","13.9943","0.0005","21.5754","0.0008","93.0414","0.0017","92.2764","0.0015","105.033","0.0016","2130.31","0.13","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C47.5 H31 Cl3 N2 O6 S3 -","- C47.35 H30.7 Cl3 N2 O6 S3 -","- C94.7 H61.4 Cl6 N4 O12 S6 -","2","1","","Hempe, Matthias; Harrison, Alastair K.; Ward, Jonathan S.; Batsanov, Andrei S.; Fox, Mark A.; Dias, Fernando B.; Bryce, Martin R.","Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02174","","x-ray","1.54184","CuKα","","0.0796","0.0566","","","0.1365","0.1536","","","","","","1.023","","","","has coordinates,has disorder","259279","2020-11-29","00:09:35",""
"4038936","7.1372","0.0006","7.2212","0.0005","18.9343","0.0012","89.548","0.005","85.809","0.006","69.902","0.007","913.83","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N5 O3 S -","- C18 H19 N5 O3 S -","- C36 H38 N10 O6 S2 -","2","1","","Ilkin, Vladimir; Berseneva, Vera; Beryozkina, Tetyana; Glukhareva, Tatiana; Dianova, Lidia; Dehaen, Wim; Seliverstova, Eugenia; Bakulev, Vasiliy","Regioselective synthesis of heterocyclic N-sulfonyl amidines from heteroaromatic thioamides and sulfonyl azides","Beilstein Journal of Organic Chemistry","2020","16","","2937","2947","10.3762/bjoc.16.243","","","0.71073","MoKα","","0.0943","0.0583","","","0.1229","0.1454","","","","","","1.006","","","","has coordinates","259479","2020-12-03","06:09:03",""
"4038937","10.21","0.006","7.242","0.006","26.864","0.015","90","","97.45","0.05","90","","1970","2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N4 O5 S -","- C17 H14 N4 O5 S -","- C68 H56 N16 O20 S4 -","4","1","","Ilkin, Vladimir; Berseneva, Vera; Beryozkina, Tetyana; Glukhareva, Tatiana; Dianova, Lidia; Dehaen, Wim; Seliverstova, Eugenia; Bakulev, Vasiliy","Regioselective synthesis of heterocyclic N-sulfonyl amidines from heteroaromatic thioamides and sulfonyl azides","Beilstein Journal of Organic Chemistry","2020","16","","2937","2947","10.3762/bjoc.16.243","","","1.54184","CuKα","","0.0544","0.0462","","","0.1285","0.1316","","","","","","1.009","","","","has coordinates","259480","2020-12-03","06:09:31",""
"4038938","9.4172","0.0008","11.4155","0.001","13.0409","0.0009","97.171","0.006","96.461","0.006","109.787","0.008","1290.7","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 N7 O7 S -","- C23 H27 N7 O7 S -","- C46 H54 N14 O14 S2 -","2","1","","Ilkin, Vladimir; Berseneva, Vera; Beryozkina, Tetyana; Glukhareva, Tatiana; Dianova, Lidia; Dehaen, Wim; Seliverstova, Eugenia; Bakulev, Vasiliy","Regioselective synthesis of heterocyclic N-sulfonyl amidines from heteroaromatic thioamides and sulfonyl azides","Beilstein Journal of Organic Chemistry","2020","16","","2937","2947","10.3762/bjoc.16.243","","","0.71073","MoKα","","0.1325","0.0632","","","0.1537","0.2221","","","","","","1.008","","","","has coordinates","259481","2020-12-03","06:10:07",""
"4038939","17.4426","0.0006","19.3528","0.0008","15.3931","0.0004","90","","96.8","0.001","90","","5159.6","0.3","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H70 Br O10 -","- C56 H70 Br O10 -","- C224 H280 Br4 O40 -","4","1","","Sheng, Xinru; Li, Errui; Huang, Feihe","Construction of pillar[4]arene[1]quinone‒1,10-dibromodecane pseudorotaxanes in solution and in the solid state","Beilstein Journal of Organic Chemistry","2020","16","","2954","2959","10.3762/bjoc.16.245","","","0.71073","MoKα","","0.0705","0.048","","","0.1227","0.135","","","","","","1.046","","","","has coordinates","259482","2020-12-03","06:10:41",""
"4038940","9.9355","0.0001","17.2277","0.0002","10.3753","0.0002","90","","112.62","0.002","90","","1639.29","0.05","301.07","0.1","301.07","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Vershinin, Vlada; Forkosh, Hagit; Ben-Lulu, Mor; Libman, Anna; Pappo, Doron","Mechanistic Insights into the FeCl<sub>3</sub>-Catalyzed Oxidative Cross-Coupling of Phenols with 2-Aminonaphthalenes.","The Journal of organic chemistry","2020","86","1","79","90","10.1021/acs.joc.0c00874","","x-ray","1.54184","CuKα","","0.0511","0.0452","","","0.128","0.1342","","","","","","1.07","","","","has coordinates","260433","2021-01-04","03:18:29",""
"4038941","13.2686","0.0003","7.4126","0.0002","13.3406","0.0003","90","","93.271","0.001","90","","1309.97","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 F4 N S -","- C13 H15 F4 N S -","- C52 H60 F16 N4 S4 -","4","1","","Supranovich, Vyacheslav I.; Dmitriev, Igor A.; Dilman, Alexander D.","Synthesis of tetrafluorinated piperidines from nitrones via a visible-light-promoted annelation reaction","Beilstein Journal of Organic Chemistry","2020","16","","3104","3108","10.3762/bjoc.16.260","","","0.71073","MoKα","","0.0509","0.0364","","","0.0896","0.0984","","","","","","1.023","","","","has coordinates,has disorder","260223","2020-12-30","06:28:54",""
"4038942","13.413","0.0003","7.3746","0.0002","13.884","0.0003","90","","90.257","0.001","90","","1373.33","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 F4 N O2 -","- C14 H15 F4 N O2 -","- C56 H60 F16 N4 O8 -","4","1","","Supranovich, Vyacheslav I.; Dmitriev, Igor A.; Dilman, Alexander D.","Synthesis of tetrafluorinated piperidines from nitrones via a visible-light-promoted annelation reaction","Beilstein Journal of Organic Chemistry","2020","16","","3104","3108","10.3762/bjoc.16.260","","","0.71073","MoKα","","0.0606","0.0406","","","0.1097","0.1205","","","","","","1.046","","","","has coordinates","260224","2020-12-30","06:29:20",""
"4038943","10.3223","0.0004","6.0857","0.0003","11.5807","0.0005","90","","94.121","0.002","90","","725.6","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","1","","Shcherbakova, Valeriya; Dibchak, Dmitry; Snisarenko, Mariya; Skalenko, Yevhen; Denisenko, Aleksandr V.; Kuznetsova, Anastasiia S.; Mykhailiuk, Pavel K.","Bicyclic Piperidines <i>via</i> [2 + 2] Photocycloaddition.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02355","","","0.71073","MoKα","","0.0592","0.0533","","","0.141","0.1463","","","","","","1.07","","","","has coordinates","260347","2021-01-02","00:10:44",""
"4038944","7.6019","0.0005","12.1084","0.0008","18.2856","0.0011","90","","90","","90","","1683.13","0.19","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Cl N O -","- C19 H24 Cl N O -","- C76 H96 Cl4 N4 O4 -","4","1","","Shcherbakova, Valeriya; Dibchak, Dmitry; Snisarenko, Mariya; Skalenko, Yevhen; Denisenko, Aleksandr V.; Kuznetsova, Anastasiia S.; Mykhailiuk, Pavel K.","Bicyclic Piperidines <i>via</i> [2 + 2] Photocycloaddition.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02355","","x-ray","0.71073","MoKα","","0.085","0.0387","","","0.0565","0.0625","","","","","","0.833","","","","has coordinates","260348","2021-01-02","00:11:05",""
"4038965","52.4504","0.0019","7.4685","0.0003","25.3205","0.0009","90","","114.77","0.001","90","","9006.1","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cr O6 S3 -","- C20 H18 Cr O6 S3 -","- C320 H288 Cr16 O96 S48 -","16","2","","Lamprecht, Zandria; Malan, Frederick P.; Liles, David C.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of annulated dithieno[2,3-b;3ʹ,2ʹ-d]thienyl- and ring-opened 3,3ʹ-bithienyl Fischer carbene complexes","Journal of Organometallic Chemistry","2020","925","","121466","","10.1016/j.jorganchem.2020.121466","","","0.71073","MoKα","","0.0388","0.0321","","","0.0947","0.0994","","","","","","1.039","","","","has coordinates,has disorder","272274","2022-01-27","09:50:35",""
"4038966","7.7699","0.0007","10.8891","0.0011","17.2416","0.0017","104.632","0.004","94.044","0.004","96.766","0.004","1394","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H12 Cr2 O12 S3 -","- C24 H12 Cr2 O12 S3 -","- C48 H24 Cr4 O24 S6 -","2","1","","Lamprecht, Zandria; Malan, Frederick P.; Liles, David C.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of annulated dithieno[2,3-b;3ʹ,2ʹ-d]thienyl- and ring-opened 3,3ʹ-bithienyl Fischer carbene complexes","Journal of Organometallic Chemistry","2020","925","","121466","","10.1016/j.jorganchem.2020.121466","","","0.71073","MoKα","","0.0552","0.0309","","","0.075","0.083","","","","","","1.001","","","","has coordinates","272275","2022-01-27","09:50:53",""
"4038967","7.4794","0.0007","11.9763","0.0011","12.1963","0.0012","110.742","0.003","91.017","0.003","103.342","0.003","988.15","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H6.5 Cr0.5 N0.5 O2.5 S1.5 -","- C9 H6.5 Cr0.5 N0.5 O2.5 S1.5 -","- C36 H26 Cr2 N2 O10 S6 -","4","2","","Lamprecht, Zandria; Malan, Frederick P.; Liles, David C.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of annulated dithieno[2,3-b;3ʹ,2ʹ-d]thienyl- and ring-opened 3,3ʹ-bithienyl Fischer carbene complexes","Journal of Organometallic Chemistry","2020","925","","121466","","10.1016/j.jorganchem.2020.121466","","","0.71073","MoKα","","0.0347","0.0285","","","0.0691","0.0722","","","","","","1.025","","","","has coordinates,has disorder","272276","2022-01-27","09:51:06",""
"4038968","6.8382","0.0007","9.8055","0.001","14.0893","0.0013","104.167","0.003","97.269","0.003","104.205","0.003","870.3","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 Cr O6 S3 -","- C16 H8 Cr O6 S3 -","- C32 H16 Cr2 O12 S6 -","2","1","","Lamprecht, Zandria; Malan, Frederick P.; Liles, David C.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of annulated dithieno[2,3-b;3ʹ,2ʹ-d]thienyl- and ring-opened 3,3ʹ-bithienyl Fischer carbene complexes","Journal of Organometallic Chemistry","2020","925","","121466","","10.1016/j.jorganchem.2020.121466","","","0.71073","MoKα","","0.0324","0.028","","","0.0672","0.0692","","","","","","1.047","","","","has coordinates","272277","2022-01-27","09:51:18",""
"4038969","7.6425","0.0001","9.4015","0.0002","16.089","0.0003","94.709","0.001","99.669","0.001","90.36","0.001","1135.5","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H8 O9 S3 W1.5 -","- C19 H8 O9 S3 W1.5 -","- C38 H16 O18 S6 W3 -","2","1","","Lamprecht, Zandria; Malan, Frederick P.; Liles, David C.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of annulated dithieno[2,3-b;3ʹ,2ʹ-d]thienyl- and ring-opened 3,3ʹ-bithienyl Fischer carbene complexes","Journal of Organometallic Chemistry","2020","925","","121466","","10.1016/j.jorganchem.2020.121466","","","1.54184","CuKα","","0.0568","0.0491","","","0.1192","0.1235","","","","","","1.045","","","","has coordinates","272278","2022-01-27","09:51:31",""
"4038970","19.5378","0.0006","6.4155","0.0002","15.0044","0.0004","90","","99.372","0.003","90","","1855.62","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 N O5 S3 W -","- C16 H9 N O5 S3 W -","- C64 H36 N4 O20 S12 W4 -","4","1","","Lamprecht, Zandria; Malan, Frederick P.; Liles, David C.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of annulated dithieno[2,3-b;3ʹ,2ʹ-d]thienyl- and ring-opened 3,3ʹ-bithienyl Fischer carbene complexes","Journal of Organometallic Chemistry","2020","925","","121466","","10.1016/j.jorganchem.2020.121466","","","0.71073","MoKα","","0.0552","0.0528","","","0.1422","0.1438","","","","","","1.15","","","","has coordinates","272279","2022-01-27","09:51:44",""
"4038971","6.5741","0.0005","15.1714","0.001","32.44","0.002","90","","95.543","0.003","90","","3220.4","0.4","150","2","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 N2 O10 S3 W2 -","- C24 H14 N2 O10 S3 W2 -","- C96 H56 N8 O40 S12 W8 -","4","1","","Lamprecht, Zandria; Malan, Frederick P.; Liles, David C.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of annulated dithieno[2,3-b;3ʹ,2ʹ-d]thienyl- and ring-opened 3,3ʹ-bithienyl Fischer carbene complexes","Journal of Organometallic Chemistry","2020","925","","121466","","10.1016/j.jorganchem.2020.121466","","","1.54178","CuKα","","0.1159","0.0582","","","0.1498","0.2062","","","","","","1.196","","","","has coordinates","272280","2022-01-27","09:51:56",""
"4038979","8.5589","0.0006","19.2664","0.0014","20.8738","0.0013","90","","90","","90","","3442.1","0.4","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","S_R_C4","","","- C26 H44 Cl4 N2 O Pd2 S2 -","- C26 H44 Cl4 N2 O Pd2 S2 -","- C104 H176 Cl16 N8 O4 Pd8 S8 -","4","1","","Major, Máté M.; Császár, Zsófia; Bényei, Attila C.; Balogh, Szabolcs; Bakos, József; Farkas, Gergely","Backbone effects in the synthesis, coordination chemistry and catalytic properties of new chiral heterobidentate ligands with P,N and S,N donor sets","Journal of Organometallic Chemistry","2020","921","","121332","","10.1016/j.jorganchem.2020.121332","","","0.71073","MoKα","","0.0478","0.0359","","","0.0775","0.0913","","","","","","1.158","","","","has coordinates","272287","2022-01-27","10:25:18",""
"4038980","11.2972","0.0005","16.7556","0.0007","11.4331","0.0005","90","","92.288","0.002","90","","2162.46","0.16","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","CSZS355","","","- C19 H26 Cl2 N P Pd -","- C19 H26 Cl2 N P Pd -","- C76 H104 Cl8 N4 P4 Pd4 -","4","2","","Major, Máté M.; Császár, Zsófia; Bényei, Attila C.; Balogh, Szabolcs; Bakos, József; Farkas, Gergely","Backbone effects in the synthesis, coordination chemistry and catalytic properties of new chiral heterobidentate ligands with P,N and S,N donor sets","Journal of Organometallic Chemistry","2020","921","","121332","","10.1016/j.jorganchem.2020.121332","","","0.71073","MoKα","","0.0465","0.0333","","","0.0667","0.0711","","","","","","1.042","","","","has coordinates","272287","2022-01-27","10:25:19",""
"4038981","8.6699","0.0003","13.3643","0.0005","20.1262","0.0008","90","","90","","90","","2331.97","0.15","293","0.1","293","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","FG581","","","- C19 H26 Cl4 N P Pd -","- C19 H26 Cl4 N P Pd -","- C76 H104 Cl16 N4 P4 Pd4 -","4","1","","Major, Máté M.; Császár, Zsófia; Bényei, Attila C.; Balogh, Szabolcs; Bakos, József; Farkas, Gergely","Backbone effects in the synthesis, coordination chemistry and catalytic properties of new chiral heterobidentate ligands with P,N and S,N donor sets","Journal of Organometallic Chemistry","2020","921","","121332","","10.1016/j.jorganchem.2020.121332","","","0.71073","MoKα","","0.0208","0.0203","","","0.0552","0.056","","","","","","1.089","","","","has coordinates","272287","2022-01-27","10:25:19",""
"4039026","8.971","0.005","9.039","0.005","11.497","0.005","76.613","0.005","89.317","0.005","69.446","0.005","846.7","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Cl4 N3 Pd S2 -","- C12 H11 Cl4 N3 Pd S2 -","- C24 H22 Cl8 N6 Pd2 S4 -","2","1","","Fernandez-Delgado, Elena de la Cruz-Martinez, Felipe Galan, Carmen Franco, Lourdes Espino, Javier Vinuelas-Zahinos, Emilio Lu Bejarano, Ignacio","Pt(II) and Pd(II) complexes with a thiazoline derivative ligand: Synthesis, structural characterization, antiproliferative activity and evaluation of proapoptotic ability in tumor cell lines HT-29 and U-937","Journal of Inorganic Biochemistry","2020","202","","110870","","10.1016/j.jinorgbio.2019.110870","","","0.71069","MoKα","","0.0271","0.0256","","","0.0626","0.0636","","","","","","1.027","","","","has coordinates","289707","2024-02-05","17:14:18",""
"4133910","11.5979","0.0004","12.4869","0.0003","13.0234","0.0005","111.577","0.003","107.814","0.003","103.415","0.003","1538.21","0.12","213","","213","","","","","","","","","4","P -1","-P 1","2","","2,4,6,8-tetraphenyl-2,4,6,8-tetraaza-1,5(3,11)-didibenzo[a,j]phenazina-3,7(1,4)-dibenzenacyclooctaphane","","- C78 H50 Cl6 N8 -","- C78 H50 Cl6 N8 -","- C78 H50 Cl6 N8 -","1","0.5","","Izumi, Saika; Higginbotham, Heather F.; Nyga, Aleksandra; Stachelek, Patrycja; Tohnai, Norimitsu; Silva, Piotr de; Data, Przemyslaw; Takeda, Youhei; Minakata, Satoshi","Thermally Activated Delayed Fluorescent Donor-Acceptor-Donor-Acceptor π-Conjugated Macrocycle for Organic Light-Emitting Diodes.","Journal of the American Chemical Society","2020","142","3","1482","1491","10.1021/jacs.9b11578","","","1.54187","CuKα","","0.0729","0.0661","","","0.1885","0.1954","","","","","","1.077","","","","has coordinates","247533","2020-10-21","18:00:00",""
"4133911","8.76533","0.0001","40.6863","0.0004","21.4744","0.0002","90","","98.1999","0.001","90","","7580.09","0.14","93","","93","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2,4,6,8-tetraphenyl-2,4,6,8-tetraaza-1,5(3,11)-didibenzo[a,j]phenazina-3,7(1,4)-dibenzenacyclooctaphane","","- C81 H53 Cl15 N8 -","- C81 H52 Cl15 N8 -","- C324 H208 Cl60 N32 -","4","1","","Izumi, Saika; Higginbotham, Heather F.; Nyga, Aleksandra; Stachelek, Patrycja; Tohnai, Norimitsu; Silva, Piotr de; Data, Przemyslaw; Takeda, Youhei; Minakata, Satoshi","Thermally Activated Delayed Fluorescent Donor-Acceptor-Donor-Acceptor π-Conjugated Macrocycle for Organic Light-Emitting Diodes.","Journal of the American Chemical Society","2020","142","3","1482","1491","10.1021/jacs.9b11578","","","1.54187","CuKα","","0.1275","0.1104","","","0.3106","0.3274","","","","","","1.043","","","","has coordinates","247533","2020-10-21","18:00:00",""
"4133912","10.2772","0.0004","6.1873","0.0002","11.9566","0.0005","90","","113.206","0.004","90","","698.79","0.05","98","2","98","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 B O4 -","- C14 H19 B O4 -","- C28 H38 B2 O8 -","2","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0289","0.0286","","","0.0663","0.0664","","","","","","1.006","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133913","25.9588","0.0008","6.6139","0.0002","11.2968","0.0003","90","","92.514","0.002","90","","1937.67","0.1","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 B O3 -","- C22 H29 B O3 -","- C88 H116 B4 O12 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0642","0.0624","","","0.1233","0.1244","","","","","","1.064","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133914","7.9153","0.0002","9.4724","0.0002","12.8773","0.0002","100.926","0.002","101.026","0.002","94.341","0.002","924.2","0.04","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 B N O3 -","- C21 H24 B N O3 -","- C42 H48 B2 N2 O6 -","2","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0464","0.0458","","","0.1051","0.1055","","","","","","1.055","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133915","25.3806","0.0006","6.6166","0.0001","31.099","0.0008","90","","112.921","0.003","90","","4810.2","0.2","98","2","98","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C25 H34 B2 O4 -","- C25 H34 B2 O4 -","- C200 H272 B16 O32 -","8","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0561","0.0547","","","0.1191","0.12","","","","","","1.072","","","","has coordinates,has disorder","247535","2020-10-21","18:00:00",""
"4133916","7.5748","0.0002","7.5235","0.0002","13.5891","0.0004","90","","91.676","0.003","90","","774.1","0.04","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 B F3 N O -","- C6 H9 B F3 N O -","- C24 H36 B4 F12 N4 O4 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0347","0.0343","","","0.0863","0.0866","","","","","","1.05","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133917","10.5926","0.0002","21.6904","0.0003","14.3419","0.0002","90","","107.969","0.002","90","","3134.44","0.09","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 B O3 -","- C17 H21 B O3 -","- C136 H168 B8 O24 -","8","2","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0615","0.0588","","","0.1225","0.1243","","","","","","1.069","","","","has coordinates,has disorder","247535","2020-10-21","18:00:00",""
"4133918","8.4082","0.0005","8.7515","0.0005","10.3759","0.0003","107.497","0.004","105.684","0.004","97.298","0.005","682.79","0.07","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 B F3 O2 -","- C13 H16 B F3 O2 -","- C26 H32 B2 F6 O4 -","2","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0867","0.0758","","","0.1456","0.1491","","","","","","1.091","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133919","8.0689","0.0002","19.1049","0.0005","8.649","0.0002","90","","90","","90","","1333.29","0.06","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H11 B F3 K O5 -","- C10 H11 B F3 K O5 -","- C40 H44 B4 F12 K4 O20 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0222","0.0221","","","0.0593","0.0593","","","","","","1.089","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133920","14.7645","0.0004","7.7901","0.0002","16.2371","0.0004","90","","107.458","0.002","90","","1781.52","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 I N O4 -","- C18 H22 I N O4 -","- C72 H88 I4 N4 O16 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0338","0.0336","","","0.0918","0.092","","","","","","1.1","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133921","20.3444","0.0005","9.5619","0.0002","13.8608","0.0003","90","","103.721","0.002","90","","2619.41","0.1","98","3","98","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 B N O2 -","- C14 H18 B N O2 -","- C112 H144 B8 N8 O16 -","8","2","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0498","0.0488","","","0.1042","0.1049","","","","","","1.069","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133922","9.1074","0.0006","10.4748","0.0006","11.1129","0.0007","90.07","0.005","103.031","0.005","112.623","0.006","948.81","0.11","97","2","97","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 B N O3 -","- C22 H26 B N O3 -","- C44 H52 B2 N2 O6 -","2","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0485","0.0474","","","0.099","0.0998","","","","","","1.006","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133923","5.8375","0.0002","17.0381","0.0004","13.9958","0.0004","90","","94.048","0.002","90","","1388.55","0.07","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 B O4 -","- C14 H19 B O4 -","- C56 H76 B4 O16 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0433","0.0427","","","0.105","0.1055","","","","","","1.019","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133924","9.4219","0.0003","11.3625","0.0003","16.4678","0.0004","104.315","0.002","92.465","0.002","114.483","0.003","1533.34","0.09","98","2","98","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H38 B Cl3 O5 -","- C32 H38 B Cl3 O5 -","- C64 H76 B2 Cl6 O10 -","2","2","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.035","0.0342","","","0.0854","0.0861","","","","","","1.023","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133925","17.8482","0.0004","7.0235","0.0002","22.7583","0.0006","90","","90","","90","","2852.91","0.13","98","2","98","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H21 B O4 -","- C14 H21 B O4 -","- C112 H168 B8 O32 -","8","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0485","0.0476","","","0.1066","0.1072","","","","","","1.07","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133926","10.1479","0.0002","10.5387","0.0003","31.4024","0.0007","90","","90","","90","","3358.35","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 B O2 -","- C20 H21 B O2 -","- C160 H168 B8 O16 -","8","2","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0667","0.0644","","","0.1352","0.1366","","","","","","1.086","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133927","13.7679","0.0004","7.5766","0.0002","12.4291","0.0003","90","","92.295","0.002","90","","1295.49","0.06","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 B F O2 -","- C13 H18 B F O2 -","- C52 H72 B4 F4 O8 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.05","0.0493","","","0.1174","0.1179","","","","","","1.071","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133928","6.7381","0.0002","12.3279","0.0004","15.8619","0.0005","90","","96.91","0.003","90","","1308.02","0.07","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 B F O3 -","- C13 H18 B F O3 -","- C52 H72 B4 F4 O12 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0409","0.0407","","","0.0951","0.0953","","","","","","1.072","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133929","9.4792","0.0002","11.0501","0.0002","13.2369","0.0003","90","","90","","90","","1386.51","0.05","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 B O2 S -","- C13 H19 B O2 S -","- C52 H76 B4 O8 S4 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0254","0.0252","","","0.0665","0.0667","","","","","","1.015","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133930","17.2944","0.0014","6.5162","0.0004","11.397","0.0008","90","","106.818","0.008","90","","1229.44","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 B2 O4 -","- C26 H36 B2 O4 -","- C52 H72 B4 O8 -","2","0.5","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.071","0.0411","","","0.0715","0.0757","","","","","","1.038","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133931","27.1253","0.0012","6.6649","0.0002","12.131","0.0006","90","","119.012","0.006","90","","1917.93","0.18","98","2","98","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H26 B N O4 -","- C19 H26 B N O4 -","- C76 H104 B4 N4 O16 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0463","0.046","","","0.1273","0.1275","","","","","","1.076","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133932","10.008","0.0003","19.8705","0.0008","9.1491","0.0002","90","","90","","90","","1819.43","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H26 B N O4 -","- C17 H26 B N O4 -","- C68 H104 B4 N4 O16 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0361","0.0347","","","0.0785","0.0792","","","","","","1.09","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133933","8.5562","0.0003","13.8694","0.0006","6.9835","0.0003","90","","90","","90","","828.73","0.06","98","2","98","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C5 H5 B F4 K N O -","- C5 H5 B F4 K N O -","- C20 H20 B4 F16 K4 N4 O4 -","4","0.5","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0229","0.0229","","","0.0634","0.0634","","","","","","1.031","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133934","7.9672","0.0006","14.849","0.0011","15.3855","0.0011","99.669","0.002","100.389","0.003","103.341","0.003","1699.8","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 Au Cl2 N3 -","- C37 H36 Au N3 -","- C74 H72 Au2 N6 -","2","1","","Leung, Ming-Yi; Tang, Man-Chung; Cheung, Wai-Lung; Lai, Shiu-Lun; Ng, Maggie; Chan, Mei-Yee; Wing-Wah Yam, Vivian","Thermally Stimulated Delayed Phosphorescence (TSDP)-Based Gold(III) Complexes of Tridentate Pyrazine-Containing Pincer Ligand with Wide Emission Color Tunability and Their Application in Organic Light-Emitting Devices","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12136","","","1.34138","GaKα","","0.107","0.0863","","","0.1955","0.2083","","","","","","0.986","","","","has coordinates,has disorder","246779","2020-10-21","18:00:00",""
"4133935","13.0495","0.001","14.571","0.0011","19.6685","0.0016","86.267","0.003","86.395","0.003","76.885","0.003","3630.1","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C42.5 H39 Au Cl N3 -","- C42 H38 Au N3 -","- C168 H152 Au4 N12 -","4","2","","Leung, Ming-Yi; Tang, Man-Chung; Cheung, Wai-Lung; Lai, Shiu-Lun; Ng, Maggie; Chan, Mei-Yee; Wing-Wah Yam, Vivian","Thermally Stimulated Delayed Phosphorescence (TSDP)-Based Gold(III) Complexes of Tridentate Pyrazine-Containing Pincer Ligand with Wide Emission Color Tunability and Their Application in Organic Light-Emitting Devices","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12136","","","1.34138","GaKα","","0.0586","0.0396","","","0.0783","0.0853","","","","","","1.054","","","","has coordinates,has disorder","246780","2020-10-21","18:00:00",""
"4133937","11.9458","0.0005","15.1939","0.0005","16.5538","0.0006","76.623","0.002","88.347","0.002","73.614","0.002","2802.19","0.18","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H60 N6 O8 S -","- C46 H60 N6 O8 S -","- C92 H120 N12 O16 S2 -","2","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","1.34139","GaKα","","0.1579","0.1139","","","0.2252","0.2461","","","","","","1.067","","","","has coordinates,has disorder","247524","2020-10-21","18:00:00",""
"4133938","11.7856","0.0002","15.0499","0.0004","17.5779","0.0004","68.685","0.002","71.465","0.002","71.534","0.002","2681.5","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H77 N6 O9 -","- C56 H77 N6 O9 -","- C112 H154 N12 O18 -","2","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","1.54184","CuKα","","0.0844","0.0725","","","0.1925","0.2013","","","","","","1.037","","","","has coordinates","247524","2020-10-21","18:00:00",""
"4133939","12.8492","0.0011","14.4967","0.0012","16.6539","0.0014","102.285","0.004","91.716","0.004","112.279","0.004","2783.8","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H62 N6 O8 -","- C50 H62 N6 O8 -","- C100 H124 N12 O16 -","2","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","1.54178","CuKα","","0.1597","0.0963","","","0.2107","0.2422","","","","","","1.078","","","","has coordinates","247524","2020-10-21","18:00:00",""
"4133940","12.0076","0.0006","14.8684","0.0007","17.0843","0.0008","73.739","0.002","86.373","0.003","68.275","0.002","2717.3","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H68 N6 O9 -","- C52 H68 N6 O9 -","- C104 H136 N12 O18 -","2","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","1.54178","CuKα","","0.2511","0.125","","","0.2221","0.2804","","","","","","1.003","","","","has coordinates","247524","2020-10-21","18:00:00",""
"4133941","12.13","0.002","14.831","0.003","16.344","0.003","78.46","0.03","88.91","0.03","69.37","0.03","2691.9","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H57 Cl6 N6 O4 -","- C48 H57 Cl6 N6 O4 -","- C96 H114 Cl12 N12 O8 -","2","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","0.68875","synchrotron","","0.2016","0.1903","","","0.3995","0.4041","","","","","","1.016","","","","has coordinates","247524","2020-10-21","18:00:00",""
"4133942","11.0628","0.0002","26.8155","0.0004","9.3804","0.0001","90","","98.755","0.001","90","","2750.31","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N4 O4 -","- C30 H36 N4 O4 -","- C120 H144 N16 O16 -","4","1","","Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu","Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition.","Journal of the American Chemical Society","2020","142","4","1987","1994","10.1021/jacs.9b11566","","","1.54178","CuKα","","0.065","0.0619","","","0.1635","0.1664","","","","","","1.028","","","","has coordinates","247524","2020-10-21","18:00:00",""
"4133943","11.7742","0.0005","17.2343","0.0008","13.6399","0.0006","90","","95.461","0.002","90","","2755.2","0.2","230","2","230.19","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing","Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.","Journal of the American Chemical Society","2020","142","3","1153","1158","10.1021/jacs.9b11080","","","0.71073","MoKα","","0.0849","0.0474","","","0.1035","0.1285","","","","","","1.025","","","","has coordinates","247534","2020-10-21","18:00:00",""
"4133944","11.6624","0.0004","17.1444","0.0005","13.6082","0.0004","90","","95.398","0.001","90","","2708.82","0.15","110","2","110.26","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing","Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.","Journal of the American Chemical Society","2020","142","3","1153","1158","10.1021/jacs.9b11080","","","0.71073","MoKα","","0.062","0.0424","","","0.0958","0.1104","","","","","","1.037","","","","has coordinates","247534","2020-10-21","18:00:00",""
"4133945","11.7141","0.0003","17.1834","0.0005","13.6219","0.0003","90","","95.444","0.001","90","","2729.56","0.12","170","2","170.2","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing","Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.","Journal of the American Chemical Society","2020","142","3","1153","1158","10.1021/jacs.9b11080","","","0.71073","MoKα","","0.0682","0.0434","","","0.0968","0.1161","","","","","","1.045","","","","has coordinates","247534","2020-10-21","18:00:00",""
"4133946","9.5948","0.0006","9.7067","0.0006","15.6253","0.0011","79.68","0.003","84.432","0.003","84.978","0.003","1421.28","0.16","297","2","296.79","","","","","","","","","2","P -1","-P 1","2","","","","- C40 H28 -","- C40 H28 -","- C80 H56 -","2","1","","Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing","Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.","Journal of the American Chemical Society","2020","142","3","1153","1158","10.1021/jacs.9b11080","","","0.71073","MoKα","","0.1615","0.0652","","","0.1163","0.1525","","","","","","1.004","","","","has coordinates","247534","2020-10-21","18:00:00",""
"4133947","11.8538","0.0005","17.2687","0.0007","13.6467","0.0006","90","","95.481","0.002","90","","2780.7","0.2","293","","296.79","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing","Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression.","Journal of the American Chemical Society","2020","142","3","1153","1158","10.1021/jacs.9b11080","","","0.71073","MoKα","","0.114","0.0508","","","0.1131","0.1506","","","","","","1.002","","","","has coordinates","247534","2020-10-21","18:00:00",""
"4133948","17.8903","0.0005","18.0868","0.0004","30.1101","0.0008","90","","90","","90","","9743","0.4","219.99","0.18","219.99","0.18","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C58 H58 Cl2 -","- C58 H58 Cl2 -","- C464 H464 Cl16 -","8","1","","Gao, Guangpeng; Chen, Meng; Roberts, Josiah; Feng, Meng; Xiao, Chengyi; Zhang, Guowei; Parkin, Sean; Risko, Chad; Zhang, Lei","Rational Functionalization of a C<sub>70</sub> Buckybowl To Enable a C<sub>70</sub>:Buckybowl Cocrystal for Organic Semiconductor Applications.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12192","","x-ray","1.54184","CuKα","","0.1231","0.1048","","","0.2671","0.2862","","","","","","1.931","","","","has coordinates","246837","2020-10-21","18:00:00",""
"4133949","20.2079","0.0006","22.8871","0.0006","7.4713","0.0002","90","","90","","90","","3455.48","0.17","173","2","173.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C44 H40 Si2 -","- C44 H40 Si2 -","- C176 H160 Si8 -","4","1","","Gao, Guangpeng; Chen, Meng; Roberts, Josiah; Feng, Meng; Xiao, Chengyi; Zhang, Guowei; Parkin, Sean; Risko, Chad; Zhang, Lei","Rational Functionalization of a C<sub>70</sub> Buckybowl To Enable a C<sub>70</sub>:Buckybowl Cocrystal for Organic Semiconductor Applications.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12192","","","1.54178","CuKα","","0.1514","0.1362","","","0.331","0.3447","","","","","","2.585","","","","has coordinates,has disorder","246838","2020-10-21","18:00:00",""
"4133950","11.8645","0.0002","24.612","0.0003","14.0385","0.0002","90","","112.963","0.002","90","","3774.52","0.11","169.99","0.1","169.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 Cl2 Si2 -","- C44 H42 Cl2 Si2 -","- C176 H168 Cl8 Si8 -","4","1","","Gao, Guangpeng; Chen, Meng; Roberts, Josiah; Feng, Meng; Xiao, Chengyi; Zhang, Guowei; Parkin, Sean; Risko, Chad; Zhang, Lei","Rational Functionalization of a C<sub>70</sub> Buckybowl To Enable a C<sub>70</sub>:Buckybowl Cocrystal for Organic Semiconductor Applications.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12192","","x-ray","1.54184","CuKα","","0.0443","0.0393","","","0.1063","0.1135","","","","","","1.057","","","","has coordinates","246839","2020-10-21","18:00:00",""
"4133951","17.3007","0.0001","18.6049","0.0001","31.7768","0.0002","90","","102.475","0.001","90","","9986.76","0.11","219.97","0.15","219.97","0.15","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C65 H64 -","- C65 H64 -","- C520 H512 -","8","2","","Gao, Guangpeng; Chen, Meng; Roberts, Josiah; Feng, Meng; Xiao, Chengyi; Zhang, Guowei; Parkin, Sean; Risko, Chad; Zhang, Lei","Rational Functionalization of a C<sub>70</sub> Buckybowl To Enable a C<sub>70</sub>:Buckybowl Cocrystal for Organic Semiconductor Applications.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12192","","x-ray","1.54184","CuKα","","0.0644","0.0553","","","0.1405","0.1505","","","","","","1.031","","","","has coordinates,has disorder","246840","2020-10-21","18:00:00",""
"4133952","15.31234","0.00006","13.83765","0.00006","23.82042","0.00013","90","","98.3057","0.0004","90","","4994.29","0.04","170","0.1","170","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C79 H40 Si2 -","- C79 H40 Si2 -","- C316 H160 Si8 -","4","1","","Gao, Guangpeng; Chen, Meng; Roberts, Josiah; Feng, Meng; Xiao, Chengyi; Zhang, Guowei; Parkin, Sean; Risko, Chad; Zhang, Lei","Rational Functionalization of a C<sub>70</sub> Buckybowl To Enable a C<sub>70</sub>:Buckybowl Cocrystal for Organic Semiconductor Applications.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12192","","x-ray","1.54184","CuKα","","0.0636","0.0615","","","0.178","0.1815","","","","","","1.06","","","","has coordinates,has disorder","246841","2020-10-21","18:00:00",""
"4133954","43.512","0.006","43.512","0.006","27.788","0.005","90","","90","","120","","45562","12","100","2","100.15","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C48 H80 K2 O40 -","- C48 H80 K2 O40 -","- C864 H1440 K36 O720 -","18","1","","Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser","Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks.","Journal of the American Chemical Society","2020","142","4","2042","2050","10.1021/jacs.9b12527","","","1.54178","CuKα","","0.0779","0.0665","","","0.1939","0.2115","","","","","","1.044","","","","has coordinates,has disorder","247525","2020-10-21","18:00:00",""
"4133955","31.089","0.002","31.089","0.002","61.485","0.006","90","","90","","90","","59427","8","100","2","100.1","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C186 H283 K6 O142 -","- C186 H283 K6 O142 -","- C1488 H2264 K48 O1136 -","8","1","","Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser","Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks.","Journal of the American Chemical Society","2020","142","4","2042","2050","10.1021/jacs.9b12527","","","1.54178","CuKα","","0.0936","0.0732","","","0.1932","0.2073","","","","","","1.004","","","","has coordinates,has disorder","247525","2020-10-21","18:00:00",""
"4133956","31.212","0.0012","31.212","0.0012","61.302","0.003","90","","90","","90","","59720","4","100","2","100.01","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C193 H311 K6 O154 -","- C193 H311 K6 O154 -","- C1544 H2488 K48 O1232 -","8","1","","Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser","Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks.","Journal of the American Chemical Society","2020","142","4","2042","2050","10.1021/jacs.9b12527","","","0.71073","MoKα","","0.1452","0.0736","","","0.1782","0.2147","","","","","","0.974","","","","has coordinates,has disorder","247525","2020-10-21","18:00:00",""
"4133957","31.0134","0.0014","31.0134","0.0014","31.0134","0.0014","90","","90","","90","","29830","2","100","2","100.07","","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C48 H80 K2 O40 -","- C48 H80 K2 O40 -","- C576 H960 K24 O480 -","12","0.25","","Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser","Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks.","Journal of the American Chemical Society","2020","142","4","2042","2050","10.1021/jacs.9b12527","","","0.71073","MoKα","","0.1369","0.1085","","","0.3079","0.341","","","","","","1.347","","","","has coordinates","247525","2020-10-21","18:00:00",""
"4133958","26.397","0.002","12.179","0.0011","16.274","0.0018","90","","96.21","0.003","90","","5201.2","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H62 Cl2 O10 -","- C66 H62 Cl2 O10 -","- C264 H248 Cl8 O40 -","4","0.5","","Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine","Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis.","Journal of the American Chemical Society","2020","142","4","1752","1756","10.1021/jacs.9b12216","","x-ray","0.7","Synchrotron","","0.0729","0.0528","","","0.1324","0.1477","","","","","","1.026","","","","has coordinates","247528","2020-10-21","18:00:00",""
"4133959","8.593","0.003","18.778","0.006","19.167","0.005","62.663","0.01","84.421","0.011","85.31","0.03","2732","1.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C65 H60 O10 -","- C65 H60 O10 -","- C130 H120 O20 -","2","1","","Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine","Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis.","Journal of the American Chemical Society","2020","142","4","1752","1756","10.1021/jacs.9b12216","","x-ray","0.7","Synchrotron","","0.1935","0.1213","","","0.3163","0.3725","","","","","","1.021","","","","has coordinates,has disorder","247528","2020-10-21","18:00:00",""
"4133960","16.777","0.008","32.962","0.013","19.166","0.007","90","","91.3","0.2","90","","10596","8","373","2","373","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C65 H60 O10 -","- C65 H60 O10 -","- C520 H480 O80 -","8","2","","Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine","Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis.","Journal of the American Chemical Society","2020","142","4","1752","1756","10.1021/jacs.9b12216","","x-ray","0.7","Synchrotron","","0.1535","0.089","","","0.2247","0.2667","","","","","","1.02","","","","has coordinates,has disorder","247528","2020-10-21","18:00:00",""
"4133961","13.171","0.003","13.404","0.0013","17.673","0.0011","76.093","0.007","80.772","0.006","88.492","0.004","2989.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H66 Cl6 O10 -","- C68 H66 Cl6 O10 -","- C136 H132 Cl12 O20 -","2","1","","Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine","Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis.","Journal of the American Chemical Society","2020","142","4","1752","1756","10.1021/jacs.9b12216","","x-ray","0.7","Synchrotron","","0.0468","0.0436","","","0.1143","0.1169","","","","","","1.052","","","","has coordinates","247528","2020-10-21","18:00:00",""
"4133962","10.323","0.0015","13.772","0.0008","21.117","0.0006","107.381","0.003","86.9","0.01","99.769","0.01","2823.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C66.9 H63.8 Cl3.8 O10 -","- C66.9 H63.8 Cl3.8 O10 -","- C133.8 H127.6 Cl7.6 O20 -","2","1","","Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine","Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis.","Journal of the American Chemical Society","2020","142","4","1752","1756","10.1021/jacs.9b12216","","x-ray","0.7","Synchrotron","","0.0492","0.044","","","0.1164","0.1209","","","","","","1.023","","","","has coordinates,has disorder","247528","2020-10-21","18:00:00",""
"4133963","16.0633","0.0014","13.4867","0.0011","18.5991","0.0014","90","","90","","90","","4029.3","0.6","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","[mCH]Cu(O2N)(ClO4)2","","","- C35 H49 Cl2 Cu N7 O13 -","- C35 H49 Cl2 Cu N7 O13 -","- C140 H196 Cl8 Cu4 N28 O52 -","4","1","","Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata","Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation.","Journal of the American Chemical Society","2020","142","4","1726","1730","10.1021/jacs.9b11597","","","0.71073","MoKα","","0.0734","0.0441","","","0.0785","0.0884","","","","","","1.018","","","","has coordinates","247532","2020-10-21","18:00:00",""
"4133964","13.007","0.004","16.788","0.005","18.574","0.006","90","","103.666","0.009","90","","3941","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[mCH]CuCl(ClO4)2","","","- C35 H49 Cl3 Cu N6 O11 -","- C35 H49 Cl3 Cu N6 O11 -","- C140 H196 Cl12 Cu4 N24 O44 -","4","1","","Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata","Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation.","Journal of the American Chemical Society","2020","142","4","1726","1730","10.1021/jacs.9b11597","","","0.71073","MoKα","","0.0746","0.0447","","","0.1067","0.1219","","","","","","1.019","","","","has coordinates,has disorder","247532","2020-10-21","18:00:00",""
"4133965","12.2345","0.0019","12.3329","0.0018","13.275","0.002","112.421","0.004","110.003","0.005","96.959","0.005","1665.3","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[mC]Cu(O2N)(ClO4)","","","- C33 H45.35 Cl Cu N6 O9.17 -","- C33 H45.348 Cl Cu N6 O9.174 -","- C66 H90.696 Cl2 Cu2 N12 O18.348 -","2","1","","Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata","Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation.","Journal of the American Chemical Society","2020","142","4","1726","1730","10.1021/jacs.9b11597","","","0.71073","MoKα","","0.0371","0.0305","","","0.0731","0.0765","","","","","","1.056","","","","has coordinates,has disorder","247532","2020-10-21","18:00:00",""
"4133966","21.826","0.002","14.923","0.0015","21.694","0.002","90","","104.035","0.003","90","","6855","1.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[mC]Zn(O2N)(ClO4)","","","- C33 H45 Cl N6 O9 Zn -","- C33 H45 Cl N6 O9 Zn -","- C264 H360 Cl8 N48 O72 Zn8 -","8","1","","Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata","Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation.","Journal of the American Chemical Society","2020","142","4","1726","1730","10.1021/jacs.9b11597","","","0.71073","MoKα","","0.1747","0.0665","","","0.1144","0.134","","","","","","0.935","","","","has coordinates,has disorder","247532","2020-10-21","18:00:00",""
"4133967","7.1737","0.0004","9.0077","0.0005","11.2753","0.0006","78.169","0.004","76.779","0.005","84.426","0.004","693.25","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0335","0.029","","","0.0684","0.0718","","","","","","1.097","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133968","7.1724","0.0005","9.0455","0.0005","11.3389","0.0007","78.035","0.005","76.862","0.006","84.337","0.005","699.8","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0483","0.0381","","","0.0875","0.0962","","","","","","1.084","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133969","7.1985","0.0006","9.0868","0.0006","11.4367","0.0008","77.856","0.006","76.835","0.006","84.259","0.006","711.06","0.09","200","","200","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0457","0.0329","","","0.0737","0.0812","","","","","","1.057","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133970","7.1977","0.0005","9.1039","0.0005","11.47","0.0007","77.76","0.005","76.956","0.005","84.228","0.005","714.46","0.08","225","","225","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0404","0.0322","","","0.0736","0.0786","","","","","","1.052","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133971","7.2034","0.0005","9.1326","0.0005","11.5371","0.0007","77.61","0.005","76.995","0.005","84.19","0.005","721.17","0.08","250","","250","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0464","0.0329","","","0.0746","0.083","","","","","","1.03","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133972","7.2072","0.0005","9.1517","0.0005","11.5869","0.0006","77.501","0.005","77.039","0.005","84.118","0.005","725.96","0.08","265","","265","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0437","0.0357","","","0.09","0.0973","","","","","","1.042","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133973","7.2024","0.0004","9.176","0.0005","11.6626","0.0007","77.256","0.005","77.158","0.005","84.012","0.004","731.74","0.07","285","","285","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0448","0.0345","","","0.0849","0.0928","","","","","","1.047","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133974","7.2034","0.0004","9.1958","0.0006","11.7123","0.0008","77.17","0.006","77.261","0.005","83.959","0.005","736.55","0.08","290","","290","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0457","0.0357","","","0.0969","0.1065","","","","","","1.037","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133975","7.199","0.0004","9.2156","0.0005","11.7675","0.0008","76.977","0.005","77.346","0.006","83.954","0.005","740.85","0.08","295","","295","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0557","0.0404","","","0.0963","0.1095","","","","","","1.046","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133976","7.1877","0.0005","9.2267","0.0006","11.815","0.0008","76.824","0.006","77.466","0.006","83.877","0.005","743.4","0.09","297.5","0.1","297.5","","","","","","","","","4","P -1","-P 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","1","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0651","0.0462","","","0.1276","0.1465","","","","","","1.044","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133977","7.167","0.0004","9.2494","0.0006","11.888","0.001","76.621","0.006","77.687","0.006","83.786","0.005","747.6","0.09","300","","300","","","","","","","","","4","B -1","-B 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0377","0.0368","","","0.0994","0.1004","","","","","","1.044","","","","has coordinates,has disorder","247531","2020-10-21","18:00:00",""
"4133978","7.1618","0.0005","9.2536","0.0006","11.8972","0.0009","76.583","0.006","77.727","0.006","83.757","0.005","747.94","0.09","302.5","","302.5","","","","","","","","","4","B -1","-B 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0389","0.0381","","","0.0989","0.0996","","","","","","1.079","","","","has coordinates,has disorder","247531","2020-10-21","18:00:00",""
"4133979","7.1683","0.0005","9.2643","0.0006","11.916","0.0008","76.588","0.006","77.763","0.006","83.749","0.006","750.78","0.09","304","","304","","","","","","","","","4","B -1","-B 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0415","0.0407","","","0.1135","0.1146","","","","","","1.07","","","","has coordinates,has disorder","247531","2020-10-21","18:00:00",""
"4133980","7.0229","0.0001","8.8503","0.0002","12.7614","0.0002","90","","90","","90","","793.18","0.02","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Bis(cyclopentadienyl)ruthenium(II)","","- C10 H10 Ru -","- C10 H10 Ru -","- C40 H40 Ru4 -","4","0.5","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","1.54184","CuKα","","0.019","0.0189","","","0.0531","0.0533","","","","","","1.102","","","","has coordinates","247531","2020-10-21","18:00:00",""
"4133981","11.9001","0.0003","15.8666","0.0004","22.7472","0.0005","90","","102.9","0.007","90","","4186.6","0.2","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","spiroCC","","","- C57 H40 Cl4 -","- C57 H40 Cl4 -","- C228 H160 Cl16 -","4","0.5","","Hamada, Hiroyoshi; Itabashi, Yuki; Shang, Rui; Nakamura, Eiichi","Axially Chiral Spiro-Conjugated Carbon-Bridged <i>p</i>-Phenylenevinylene Congeners: Synthetic Design and Materials Properties.","Journal of the American Chemical Society","2020","142","4","2059","2067","10.1021/jacs.9b13019","","","1.54187","CuKα","","0.0457","0.036","","","0.0867","0.0907","","","","","","1.04","","","","has coordinates","247529","2020-10-21","18:00:00",""
"4133982","22.8962","0.00004","22.8962","0.00004","22.8962","0.00004","90","","90","","90","","12003","0.04","293","","293","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Ga27 Rb8 Sb19 -","- Ga27 Rb8 Sb19 -","- Ga216 Rb64 Sb152 -","8","0.166667","","Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill","III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs<sub>8</sub>In<sub>27</sub>Sb<sub>19</sub> and <i>A</i><sub>8</sub>Ga<sub>27</sub>Sb<sub>19</sub> (<i>A</i> = Cs, Rb).","Journal of the American Chemical Society","2020","142","4","2031","2041","10.1021/jacs.9b12351","powder diffraction","x-ray","0.41275","synchrotron","","0.0514","0.0426","","0.0508","0.0499","","","","1.32","","","","","","","has coordinates","247530","2020-10-21","18:00:00",""
"4133983","22.9497","0.0008","22.9497","0.0008","22.9497","0.0008","90","","90","","90","","12087.3","0.7","100","2","100","2","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Cs8 Ga27 Sb19 -","- Cs8 Ga27 Sb19 -","- Cs64 Ga216 Sb152 -","8","0.166667","","Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill","III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs<sub>8</sub>In<sub>27</sub>Sb<sub>19</sub> and <i>A</i><sub>8</sub>Ga<sub>27</sub>Sb<sub>19</sub> (<i>A</i> = Cs, Rb).","Journal of the American Chemical Society","2020","142","4","2031","2041","10.1021/jacs.9b12351","","","0.71073","MoKα","","0.1654","0.0715","","","0.1194","0.149","","","","","","1.031","","","","has coordinates","247530","2020-10-21","18:00:00",""
"4133984","24.462","0.0008","24.462","0.0008","24.462","0.0008","90","","90","","90","","14637.8","0.8","100","2","100","2","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Cs8 In27 Sb19 -","- Cs8 In27 Sb19 -","- Cs64 In216 Sb152 -","8","0.166667","","Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill","III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs<sub>8</sub>In<sub>27</sub>Sb<sub>19</sub> and <i>A</i><sub>8</sub>Ga<sub>27</sub>Sb<sub>19</sub> (<i>A</i> = Cs, Rb).","Journal of the American Chemical Society","2020","142","4","2031","2041","10.1021/jacs.9b12351","","","0.71073","MoKα","","0.0334","0.0241","","","0.0533","0.0588","","","","","","1.219","","","","has coordinates","247530","2020-10-21","18:00:00",""
"4133985","24.4593","0.0007","24.4593","0.0007","24.4593","0.0007","90","","90","","90","","14633","0.7","10","2","10","2","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Cs8 In27 Sb19 -","- Cs8 In27 Sb19 -","- Cs64 In216 Sb152 -","8","0.166667","","Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill","III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs<sub>8</sub>In<sub>27</sub>Sb<sub>19</sub> and <i>A</i><sub>8</sub>Ga<sub>27</sub>Sb<sub>19</sub> (<i>A</i> = Cs, Rb).","Journal of the American Chemical Society","2020","142","4","2031","2041","10.1021/jacs.9b12351","","","0.24797","synchrotron","","0.0134","0.0112","","","0.0331","0.0384","","","","","","1.193","","","","has coordinates","247530","2020-10-21","18:00:00",""
"4133986","8.8504","0.0009","15.0485","0.0013","15.7936","0.0014","90","","90","","90","","2103.5","0.3","100","2","100.01","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Cl N2 O4 -","- C22 H31 Cl N2 O4 -","- C88 H124 Cl4 N8 O16 -","4","1","","Miller, Eric R.; Hovey, M. Todd; Scheidt, Karl A.","A Concise, Enantioselective Approach for the Synthesis of Yohimbine Alkaloids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12319","","","0.71073","MoKα","","0.0817","0.0513","","","0.1132","0.1268","","","","","","1.038","","","","has coordinates","247122","2020-10-21","18:00:00",""
"4133987","12.423","0.0012","8.3502","0.0008","23.217","0.002","90","","91.701","0.005","90","","2407.3","0.4","100","2","99.99","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H29 F3 N2 O6 -","- C24 H29 F3 N2 O6 -","- C96 H116 F12 N8 O24 -","4","2","","Miller, Eric R.; Hovey, M. Todd; Scheidt, Karl A.","A Concise, Enantioselective Approach for the Synthesis of Yohimbine Alkaloids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12319","","","1.54178","CuKα","","0.0316","0.031","","","0.0794","0.0799","","","","","","1.027","","","","has coordinates","247123","2020-10-21","18:00:00",""
"4133988","43.2323","0.0018","43.2323","0.0018","76.187","0.003","90","","90","","120","","123318","9","150","2","149.96","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C228 H206 B7 F28 N26 Pd12 S12 -","- C228 H206 B7 F28 N26 Pd12 S12 -","- C4104 H3708 B126 F504 N468 Pd216 S216 -","18","0.5","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.0836","0.0629","","","0.1733","0.1941","","","","","","1.024","","","","has coordinates,has disorder","247124","2020-10-21","18:00:00",""
"4133989","43.39","0.002","43.39","0.002","75.917","0.004","90","","90","","120","","123780","10","153","2","153.38","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C224 H198 B6 F24 N24 Pt12 S12 -","- C224 H198 B6 F24 N24 Pt12 S12 -","- C4032 H3564 B108 F432 N432 Pt216 S216 -","18","0.5","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.0705","0.0506","","","0.1325","0.1544","","","","","","1.058","","","","has coordinates,has disorder","247125","2020-10-21","18:00:00",""
"4133990","28.3945","0.0017","36.36","0.002","16.2541","0.001","90","","90","","90","","16781.1","1.7","174","2","174","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C136 H169 B4 F16 N15 O6 Pt6 S6 -","- C138 H169 B4 F16 N15 O6 Pt6 S6 -","- C552 H676 B16 F64 N60 O24 Pt24 S24 -","4","0.5","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.0749","0.0494","","","0.1251","0.1443","","","","","","1.069","","","","has coordinates,has disorder","247126","2020-10-21","18:00:00",""
"4133991","15.8619","0.0018","23.109","0.003","23.149","0.003","112.829","0.003","103.394","0.003","101.148","0.004","7218.4","1.6","193","2","193.43","","","","","","","","","8","P -1","-P 1","2","","","","- C240 H278 B6 F24 N26 O12 Pd12 S12 -","- C240 H278 B6 F24 N26 O12 Pd12 S12 -","- C240 H278 B6 F24 N26 O12 Pd12 S12 -","1","0.5","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.162","0.145","","","0.3419","0.3514","","","","","","1.082","","","","has coordinates,has disorder","247127","2020-10-21","18:00:00",""
"4133992","28.704","0.009","38.089","0.013","18.042","0.006","90","","90","","90","","19725","11","180","2","179.99","","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C597 H884 B16 Cl30 F64 N82 O66 Pt24 S24 -","- C597 H884 B16 Cl30 F64 N82 O66 Pt24 S24 -","- C597 H884 B16 Cl30 F64 N82 O66 Pt24 S24 -","1","0.25","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.0537","0.0399","","","0.0957","0.1018","","","","","","1.049","","","","has coordinates","247128","2020-10-21","18:00:00",""
"4133993","42.847","0.005","42.847","0.005","76.037","0.009","90","","90","","120","","120892","2","164","2","163.76","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C212 H188 B4 F16 N36 Pt12 S12 -","- C212 H188 B4 F16 N36 Pt12 S12 -","- C3816 H3384 B72 F288 N648 Pt216 S216 -","18","0.5","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.0964","0.0597","","","0.1601","0.2032","","","","","","1.046","","","","has coordinates,has disorder","247129","2020-10-21","18:00:00",""
"4133994","18.852","0.003","31.236","0.004","25.397","0.004","90","","107.462","0.005","90","","14266","4","167","2","166.94","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C260 H320 B6 F24 N24 O12 Pd12 S12 -","- C260 H320 B6 F24 N24 O12 Pd12 S12 -","- C520 H640 B12 F48 N48 O24 Pd24 S24 -","2","0.5","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","1.54178","CuKα","","0.0726","0.0698","","","0.191","0.1933","","","","","","1.054","","","","has coordinates,has disorder","247130","2020-10-21","18:00:00",""
"4133995","16.609","0.0013","18.7796","0.0015","23.567","0.002","91.662","0.002","93.669","0.003","106.756","0.002","7015.6","1","185","2","185.01","","","","","","","","","8","P -1","-P 1","2","","","","- C126 H154 B4 F16 N14 O7 Pt6 S6 -","- C126 H154 B4 F16 N14 O7 Pt6 S6 -","- C252 H308 B8 F32 N28 O14 Pt12 S12 -","2","1","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.0512","0.039","","","0.0819","0.0865","","","","","","1.049","","","","has coordinates,has disorder","247131","2020-10-21","18:00:00",""
"4133996","50.785","0.003","23.3504","0.0015","25.3445","0.0017","90","","99.525","0.002","90","","29640","3","153","2","153.01","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C236 H300 B7 F28 N28 O16 Pd12 S12 -","- C236 H300 B7 F28 N28 O16 Pd12 S12 -","- C944 H1200 B28 F112 N112 O64 Pd48 S48 -","4","0.5","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.1038","0.0859","","","0.2382","0.2576","","","","","","1.042","","","","has coordinates,has disorder","247132","2020-10-21","18:00:00",""
"4133997","42.816","0.0019","42.816","0.0019","76.435","0.003","90","","90","","120","","121349","9","150","2","150.01","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C436 H398 B12 F48 N77 Pd24 S24 -","- C436 H398 B12 F48 N77 Pd24 S24 -","- C3924 H3582 B108 F432 N693 Pd216 S216 -","9","0.25","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.1173","0.0733","","","0.2","0.2603","","","","","","1.055","","","","has coordinates,has disorder","247133","2020-10-21","18:00:00",""
"4133998","8.2839","0.0012","15.462","0.002","17.793","0.003","90","","90","","90","","2279","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O2 -","- C28 H29 N O2 -","- C112 H116 N4 O8 -","4","1","","Romero-Arenas, Antonio; Hornillos, Valentín; Iglesias-Sigüenza, Javier; Fernández, Rosario; López-Serrano, Joaquín; Ros, Abel; Lassaletta, José M","Ir-Catalyzed Atroposelective Desymmetrization of Heterobiaryls: Hydroarylation of Vinyl Ethers and Bicycloalkenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12858","","","1.54178","CuKα","","0.0328","0.0323","","","0.1126","0.1131","","","","","","0.934","","","","has coordinates","247134","2020-10-21","18:00:00",""
"4133999","9.6828","0.0004","11.6682","0.0005","16.747","0.0007","90","","90","","90","","1892.09","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","1","","Romero-Arenas, Antonio; Hornillos, Valentín; Iglesias-Sigüenza, Javier; Fernández, Rosario; López-Serrano, Joaquín; Ros, Abel; Lassaletta, José M","Ir-Catalyzed Atroposelective Desymmetrization of Heterobiaryls: Hydroarylation of Vinyl Ethers and Bicycloalkenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12858","","","1.54178","CuKα","","0.0394","0.0379","","","0.1099","0.1124","","","","","","0.855","","","","has coordinates","247135","2020-10-21","18:00:00",""
"4134000","9.4573","0.0002","9.4573","0.0002","66.22","0.002","90","","90","","120","","5129.3","0.2","273","2","273","2","","","","","","","","4","P 65","P 65","170","","","","- C23 H19 N O -","- C23 H19 N O -","- C276 H228 N12 O12 -","12","2","","Romero-Arenas, Antonio; Hornillos, Valentín; Iglesias-Sigüenza, Javier; Fernández, Rosario; López-Serrano, Joaquín; Ros, Abel; Lassaletta, José M","Ir-Catalyzed Atroposelective Desymmetrization of Heterobiaryls: Hydroarylation of Vinyl Ethers and Bicycloalkenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12858","","","1.54178","CuKα","","0.0344","0.0335","","","0.1044","0.1048","","","","","","0.983","","","","has coordinates,has disorder","247137","2020-10-21","18:00:00",""
"4134001","14.8465","0.0007","5.1669","0.0003","12.7295","0.0006","90","","94.446","0.003","90","","973.55","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O2 -","- C12 H16 O2 -","- C48 H64 O8 -","4","1","","Hsu, Tze-Gang; Zhou, Junfeng; Su, Hsin-Wei; Schrage, Briana R.; Ziegler, Christopher J.; Wang, Junpeng","A Polymer with ""Locked"" Degradability: Superior Backbone Stability and Accessible Degradability Enabled by Mechanophore Installation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12482","","","0.71073","MoKα","","0.0554","0.0427","","","0.0977","0.1038","","","","","","1.06","","","","has coordinates","247138","2020-10-21","18:00:00",""
"4134002","5.8422","0.0001","9.8585","0.0002","31.3192","0.0006","90","","90","","90","","1803.84","0.06","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Br N O -","- C20 H24 Br N O -","- C80 H96 Br4 N4 O4 -","4","1","","Green, Jacob C.; Zanghi, Joseph M.; Meek, Simon J.","Diastereo- and Enantioselective Synthesis of Homoallylic Amines Bearing Quaternary Carbon Centers.","Journal of the American Chemical Society","2020","142","4","1704","1709","10.1021/jacs.9b11529","","","1.54178","CuKα","","0.0209","0.0201","","0.047","0.0467","0.047","","","","","","1.0015","","","","has coordinates","247526","2020-10-21","18:00:00",""
"4134003","8.0743","0.0002","13.3745","0.0004","18.9008","0.0006","72.286","0.001","88.944","0.001","84.437","0.001","1935.03","0.1","100","2","100.11","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 F8 N2 O4 S2 -","- C15 H12 F8 N2 O4 S2 -","- C60 H48 F32 N8 O16 S8 -","4","2","","Mandal, Dipendu; Gupta, Richa; Jaiswal, Amit K.; Young, Rowan D.","Frustrated Lewis pair meditated selective single fluoride substitution in trifluoromethyl groups.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12167","","","0.71073","MoKα","","0.0542","0.0387","","","0.0918","0.1023","","","","","","1.036","","","","has coordinates","247140","2020-10-21","18:00:00",""
"4134004","13.4071","0.0005","16.7792","0.0006","13.6377","0.0005","90","","95.202","0.002","90","","3055.31","0.19","100","2","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 F8 N2 O4 S2 -","- C32 H22 F8 N2 O4 S2 -","- C128 H88 F32 N8 O16 S8 -","4","1","","Mandal, Dipendu; Gupta, Richa; Jaiswal, Amit K.; Young, Rowan D.","Frustrated Lewis pair meditated selective single fluoride substitution in trifluoromethyl groups.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12167","","x-ray","0.71073","MoKα","","0.0585","0.0371","","","0.0801","0.0927","","","","","","1.043","","","","has coordinates","247141","2020-10-21","18:00:00",""
"4134005","11.6718","0.0005","13.9968","0.0007","17.3742","0.0009","90","","94.633","0.002","90","","2829.1","0.2","100","2","100.01","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C54 H45 F16 N2 O8 P2 S4 -","- C54 H45 F16 N2 O8 P2 S4 -","- C108 H90 F32 N4 O16 P4 S8 -","2","1","","Mandal, Dipendu; Gupta, Richa; Jaiswal, Amit K.; Young, Rowan D.","Frustrated Lewis pair meditated selective single fluoride substitution in trifluoromethyl groups.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12167","","x-ray","0.71073","MoKα","","0.0643","0.0549","","","0.1436","0.1515","","","","","","1.045","","","","has coordinates,has disorder","247142","2020-10-21","18:00:00",""
"4134006","11.5732","0.0004","16.6147","0.0006","16.7556","0.0006","90","","96.946","0.001","90","","3198.2","0.2","100","2","99.99","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 F8 N O4 P S2 -","- C31 H28 F8 N O4 P S2 -","- C124 H112 F32 N4 O16 P4 S8 -","4","1","","Mandal, Dipendu; Gupta, Richa; Jaiswal, Amit K.; Young, Rowan D.","Frustrated Lewis pair meditated selective single fluoride substitution in trifluoromethyl groups.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12167","","","0.71073","MoKα","","0.0598","0.0393","","","0.0864","0.1013","","","","","","1.071","","","","has coordinates,has disorder","247143","2020-10-21","18:00:00",""
"4134007","11.89","0.0005","16.2559","0.0007","20.0266","0.0008","90","","92.643","0.002","90","","3866.7","0.3","100","2","99.97","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Cl2 F8 N2 O4 S2 -","- C40 H30 Cl2 F8 N2 O4 S2 -","- C160 H120 Cl8 F32 N8 O16 S8 -","4","1","","Mandal, Dipendu; Gupta, Richa; Jaiswal, Amit K.; Young, Rowan D.","Frustrated Lewis pair meditated selective single fluoride substitution in trifluoromethyl groups.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12167","","","0.71073","MoKα","","0.1255","0.0549","","","0.1226","0.1741","","","","","","1.096","","","","has coordinates,has disorder","247144","2020-10-21","18:00:00",""
"4134008","11.7287","0.0006","11.3446","0.0006","12.7178","0.0007","90","","97.519","0.003","90","","1677.65","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0738","0.0454","","","0.0973","0.109","","","","","","1.015","","","","has coordinates","247527","2020-10-21","18:00:00",""
"4134009","12.5418","0.0007","14.2968","0.0008","10.9243","0.0006","90","","98.314","0.004","90","","1938.22","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 F3 N2 O2 -","- C24 H19 F3 N2 O2 -","- C96 H76 F12 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0694","0.0427","","","0.0926","0.1041","","","","","","1.024","","","","has coordinates","247527","2020-10-21","18:00:00",""
"4134010","10.1059","0.0002","14.1498","0.0003","14.8124","0.0003","64.5952","0.0011","86.5106","0.0011","71.9003","0.0012","1812.14","0.07","200","2","200.01","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C92 H80 N8 O8 -","4","2","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0655","0.0414","","","0.101","0.1132","","","","","","1.018","","","","has coordinates","247527","2020-10-21","18:00:00",""
"4134011","6.2016","0.0003","22.6245","0.0017","13.4647","0.0007","90","","98.531","0.003","90","","1868.3","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C92 H96 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.104","0.0625","","","0.1475","0.1665","","","","","","1.053","","","","has coordinates","247527","2020-10-21","18:00:00",""
"4134012","7.422","0.0003","27.9118","0.0009","10.1865","0.0003","90","","110.241","0.002","90","","1979.93","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Cl3 N2 O2 -","- C20 H19 Cl3 N2 O2 -","- C80 H76 Cl12 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0563","0.0397","","","0.0856","0.0929","","","","","","1.033","","","","has coordinates,has disorder","247527","2020-10-21","18:00:00",""
"4134013","5.9996","0.0001","11.7006","0.0002","25.9222","0.0005","90","","95.015","0.002","90","","1812.74","0.06","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C92 H88 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0731","0.0465","","","0.1036","0.1172","","","","","","1.01","","","","has coordinates,has disorder","247527","2020-10-21","18:00:00",""
"4134014","10.2646","0.0004","10.6815","0.0004","18.9544","0.0006","90","","101.145","0.002","90","","2038.99","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","1","","Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F.","Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles.","Journal of the American Chemical Society","2020","142","4","1740","1745","10.1021/jacs.9b12421","","","0.71073","MoKα","","0.0665","0.0466","","","0.0998","0.1104","","","","","","1.014","","","","has coordinates","247527","2020-10-21","18:00:00",""
"4134015","17.5563","0.0012","19.7585","0.0014","20.6328","0.0014","90","","111.704","0.002","90","","6649.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Mesdmx)Cu2(NCMe)2","","- C79 H83 Cu2 N7 O2 -","- C79 H83 Cu2 N7 O2 -","- C316 H332 Cu8 N28 O8 -","4","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.0723","0.0467","","","0.0993","0.1105","","","","","","1.075","","","","has coordinates","247152","2020-10-21","18:00:00",""
"4134016","12.304","0.003","16.241","0.004","18.007","0.005","92.531","0.004","92.075","0.005","92.793","0.005","3587.9","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(Mesdmx)Cu2(NC6H4OMe)","","- C84 H91 Cu2 N5 O4 -","- C84 H91 Cu2 N5 O4 -","- C168 H182 Cu4 N10 O8 -","2","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.1282","0.0679","","","0.1607","0.1948","","","","","","1.001","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134017","23.7718","0.0017","21.0479","0.0014","17.5589","0.0012","90","","113.565","0.001","90","","8052.9","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Mesdmx)Cu2(3,5-CF3C6H3)","","- C77 H67 Cu2 F6 N5 O -","- C77 H67 Cu2 F6 N5 O -","- C308 H268 Cu8 F24 N20 O4 -","4","0.5","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.41328","synchrotron","","0.0536","0.0393","","","0.0971","0.1034","","","","","","1.05","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134018","21.9597","0.0005","22.7867","0.0005","21.3984","0.0005","90","","92.534","0.002","90","","10697.1","0.4","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","(tBudmx)Cu2(NC6H4OMe)","","- C59.75 H70.62 Cu2 N5.88 O2.5 -","- C59.75 H70.625 Cu2 N5.875 O2.5 -","- C478 H565 Cu16 N47 O20 -","8","2","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.1462","0.0988","","","0.2228","0.256","","","","","","1.147","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134019","18.958","0.002","13.0693","0.0016","43.638","0.005","90","","90","","90","","10812","2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(tBudmx)Cu2(3,5-CF2C6H3)","","- C59 H62 Cu2 F6 N6 O -","- C59 H62 Cu2 F6 N6 O -","- C472 H496 Cu16 F48 N48 O8 -","8","2","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.0865","0.0538","","","0.1135","0.1329","","","","","","1.038","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134020","17.7584","0.0002","26.265","0.0003","24.6763","0.0003","90","","105.261","0.0012","90","","11103.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[K(222C)][(Mesdmx)Cu2(NC6H4OMe)]","","- C94 H107 Cu2 K N7 O8 -","- C94 H107 Cu2 K N7 O8 -","- C376 H428 Cu8 K4 N28 O32 -","4","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","1.54184","CuKα","","0.0802","0.0639","","","0.1715","0.1836","","","","","","1.02","","","","has coordinates","247152","2020-10-21","18:00:00",""
"4134021","17.164","0.003","18.401","0.003","27.309","0.004","90","","104.668","0.004","90","","8344","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[K(222C)][(tBudmx)Cu2(NC6H4OMe)]","","- C81 H116.5 Cu2 K N7 O9.75 -","- C81 H116.5 Cu2 K N7 O9.75 -","- C324 H466 Cu8 K4 N28 O39 -","4","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.0504","0.037","","","0.0969","0.1035","","","","","","1.043","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134022","13.347","0.002","41.261","0.006","13.763","0.002","90","","97.39","0.003","90","","7516.5","1.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[K(222C)][(tBudmx)Cu2N(3,5-CF3C6H3)]","","- C75 H95 Cu2 F6 K N7 O7 -","- C75 H95 Cu2 F6 K N7 O7 -","- C300 H380 Cu8 F24 K4 N28 O28 -","4","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.0561","0.0402","","","0.0866","0.0932","","","","","","1.012","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134023","36.448","0.004","11.0154","0.0011","13.4471","0.0012","90","","105.928","0.003","90","","5191.6","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","LCuNCMe","","- C26 H29.5 Cl2 Cu N3.5 -","- C26 H29.5 Cl2 Cu N3.5 -","- C208 H236 Cl16 Cu8 N28 -","8","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.1199","0.0691","","","0.1072","0.1194","","","","","","1.117","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134024","13.1817","0.0013","10.7516","0.0019","19.191","0.003","90","","95.4","0.008","90","","2707.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","LCuCl_dimer","","- C29 H31 Cl3 Cu N2 -","- C29 H31 Cl3 Cu N2 -","- C116 H124 Cl12 Cu4 N8 -","4","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.0769","0.0528","","","0.1184","0.131","","","","","","1.034","","","","has coordinates","247152","2020-10-21","18:00:00",""
"4134025","11.0169","0.0006","15.6053","0.0007","21.432","0.0011","80.283","0.004","89.945","0.004","74.102","0.004","3488.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Mesdmx)Cu2(PMe3)2","","- C79 H90 Cu2 N4 O2 P2 -","- C79 H90 Cu2 N4 O2 P2 -","- C158 H180 Cu4 N8 O4 P4 -","2","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.1198","0.0554","","","0.0914","0.1085","","","","","","1.007","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134026","57.196","0.011","25.306","0.004","26.078","0.003","90","","117.092","0.007","90","","33604","9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(tBudmx)Cu2(PPh3)2","","- C96.88 H99.25 Cu2 N4 O P2 -","- C96.875 H99.25 Cu2 N4 O P2 -","- C1550 H1588 Cu32 N64 O16 P32 -","16","2","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.1338","0.0744","","","0.1635","0.1931","","","","","","1.052","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134027","12.031","0.005","14.049","0.006","24.368","0.011","99.925","0.007","99.557","0.008","105.278","0.007","3816","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(Mesdmx)Cu2(CNtBu)","","- C85 H93.5 Cu2 N6 O2.5 -","- C85 H93.5 Cu2 N6 O2.5 -","- C170 H187 Cu4 N12 O5 -","2","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.0927","0.0621","","","0.1718","0.1921","","","","","","1.021","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134028","16.3247","0.0007","18.2917","0.0008","20.5023","0.0009","90","","106.3","0.001","90","","5876","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(tBudmx)Cu2(CNtBu)2","","- C63 H82 Cu2 N6 O2 -","- C63 H82 Cu2 N6 O2 -","- C252 H328 Cu8 N24 O8 -","4","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.0628","0.0342","","","0.0658","0.0716","","","","","","0.911","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134029","13.3375","0.0005","25.1228","0.0007","25.4322","0.0007","90","","100.624","0.003","90","","8375.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Mesdmx)Cu2(dmap)","","- C95 H110.5 Cu2 N8 O4 -","- C95 H110.5 Cu2 N8 O4 -","- C380 H442 Cu8 N32 O16 -","4","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.1323","0.0734","","","0.1786","0.2128","","","","","","1.03","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134030","11.189","0.009","17.657","0.012","22.207","0.015","90","","95.88","0.02","90","","4364","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","LCu_dimer","","- C46 H50 Cl4 Cu2 N4 -","- C46 H50 Cl4 Cu2 N4 -","- C184 H200 Cl16 Cu8 N16 -","4","1","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.0522","0.0354","","","0.0828","0.0921","","","","","","1.027","","","","has coordinates","247152","2020-10-21","18:00:00",""
"4134031","7.8897","0.0001","9.1212","0.0001","14.9717","0.0002","96.048","0.001","101.313","0.001","106.5","0.001","998","0.02","298","2","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 F N2 O -","- C26 H23 F N2 O -","- C52 H46 F2 N4 O2 -","2","1","","Oderinde, Martins S.; Mao, Edna; Ramirez, Antonio; Pawluczyk, Joseph; Jorge, Christine; Cornelius, Lyndon A. M.; Kempson, James; Vetrichelvan, Muthalagu; Pitchai, Manivel; Gupta, Anuradha; Gupta, Arun Kumar; Meanwell, Nicholas A.; Mathur, Arvind; Dhar, T. G. Murali","Synthesis of Cyclobutane-Fused Tetracyclic Scaffolds via Visible-Light Photocatalysis for Building Molecular Complexity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12129","","x-ray","1.54178","CuKα","","0.0393","0.036","","","0.0941","0.0973","","","","","","1.046","","","","has coordinates","247153","2020-10-21","18:00:00",""
"4134032","15.0482","0.0006","17.691","0.0007","20.2396","0.0008","72.719","0.002","68.916","0.002","65.729","0.002","4512","0.3","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H91 Dy3 N12 O59 P14 -","- C50 H71 Dy3 N12 O59 P14 -","- C100 H142 Dy6 N24 O118 P28 -","2","1","","Ma, Yu-Juan; Hu, Ji-Xiang; Han, Song-De; Pan, Jie; Li, Jin-Hua; Wang, Guo-Ming","Manipulating On/Off Single-Molecule Magnet Behavior in a Dy(III)-Based Photochromic Complex.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13461","","","0.71073","MoKα","","0.1277","0.0671","","","0.1242","0.142","","","","","","0.977","","","","has coordinates","247154","2020-10-21","18:00:00",""
"4134033","15.0427","0.0003","17.6771","0.0004","20.2137","0.0005","72.46","0.002","68.689","0.002","65.73","0.001","4491.25","0.19","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H91 Dy3 N12 O59 P14 -","- C50 H71 Dy3 N12 O59 P14 -","- C100 H142 Dy6 N24 O118 P28 -","2","1","","Ma, Yu-Juan; Hu, Ji-Xiang; Han, Song-De; Pan, Jie; Li, Jin-Hua; Wang, Guo-Ming","Manipulating On/Off Single-Molecule Magnet Behavior in a Dy(III)-Based Photochromic Complex.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13461","","","0.71073","MoKα","","0.0998","0.059","","","0.1376","0.165","","","","","","1.03","","","","has coordinates","247154","2020-10-21","18:00:00",""
"4134034","15.0885","0.0011","17.6798","0.0011","20.2814","0.0012","73.138","0.005","69.411","0.006","65.445","0.007","4540.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H91 Gd3 N12 O59 P14 -","- C50 H71 Gd3 N12 O59 P14 -","- C100 H142 Gd6 N24 O118 P28 -","2","1","","Ma, Yu-Juan; Hu, Ji-Xiang; Han, Song-De; Pan, Jie; Li, Jin-Hua; Wang, Guo-Ming","Manipulating On/Off Single-Molecule Magnet Behavior in a Dy(III)-Based Photochromic Complex.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13461","","","0.71073","MoKα","","0.0724","0.0456","","","0.1177","0.1279","","","","","","1.021","","","","has coordinates","247154","2020-10-21","18:00:00",""
"4134035","14.9876","0.0011","17.6742","0.0012","20.2589","0.0014","73.084","0.006","69.492","0.007","65.735","0.007","4513.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H91 N12 O59 P14 Y3 -","- C50 H71 N12 O59 P14 Y3 -","- C100 H142 N24 O118 P28 Y6 -","2","1","","Ma, Yu-Juan; Hu, Ji-Xiang; Han, Song-De; Pan, Jie; Li, Jin-Hua; Wang, Guo-Ming","Manipulating On/Off Single-Molecule Magnet Behavior in a Dy(III)-Based Photochromic Complex.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13461","","","0.71073","MoKα","","0.1609","0.0735","","","0.1373","0.1631","","","","","","0.997","","","","has coordinates","247154","2020-10-21","18:00:00",""
"4134036","22.7019","0.0015","23.2501","0.0016","13.5359","0.0008","90","","118.419","0.005","90","","6283.6","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H70 N12 O35 P8 -","- C44 H56 N12 O35 P8 -","- C176 H224 N48 O140 P32 -","4","0.5","","Ma, Yu-Juan; Hu, Ji-Xiang; Han, Song-De; Pan, Jie; Li, Jin-Hua; Wang, Guo-Ming","Manipulating On/Off Single-Molecule Magnet Behavior in a Dy(III)-Based Photochromic Complex.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13461","","","0.71073","MoKα","","0.0816","0.0555","","","0.1524","0.1662","","","","","","1.019","","","","has coordinates","247154","2020-10-21","18:00:00",""
"4134037","16.4338","0.0003","15.0133","0.0003","37.4909","0.0007","90","","96.4048","0.0017","90","","9192.2","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C99 H121 F3 N6 O12 -","- C99 H121 F3 N6 O12 -","- C396 H484 F12 N24 O48 -","4","1","","Morimoto, Jumpei; Kim, Jungyeon; Kuroda, Daisuke; Nagatoishi, Satoru; Tsumoto, Kouhei; Sando, Shinsuke","Per-Residue Program of Multiple Backbone Dihedral Angles of β-Peptoids via Backbone Substitutions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b10496","","","0.71073","MoKα","","0.0798","0.0604","","","0.1635","0.1765","","","","","","1.021","","","","has coordinates,has disorder","247155","2020-10-21","18:00:00",""
"4134038","10.623","0.004","5.831","0.002","21.553","0.008","90","","98.576","0.012","90","","1320.1","0.8","102","2","102","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 F3 N O2 -","- C13 H16 F3 N O2 -","- C52 H64 F12 N4 O8 -","4","1","","Schwarz, Jonas Luca; Kleinmans, Roman; Paulisch, Tiffany; Glorius, Frank","1,2-Amino Alcohols via Cr/Photoredox Dual Catalyzed Addition of α-Amino Carbanion Equivalents to Carbonyls.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12053","","","0.71073","MoKα","","0.1328","0.0886","","","0.2117","0.2364","","","","","","1.083","","","","has coordinates,has disorder","247225","2020-10-21","18:00:00",""
"4134039","18.5691","0.0013","19.7813","0.0014","34.092","0.002","87.692","0.004","85.637","0.004","68.07","0.004","11582","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C105.25 H152 Cl0.5 N7 O10.25 P2 -","- C105.25 H152 Cl0.5 N7 O10.25 P2 -","- C421 H608 Cl2 N28 O41 P8 -","4","2","","Zhao, Wei; Tropp, Joshua; Qiao, Bo; Pink, Maren; Azoulay, Jason D.; Flood, Amar H.","Tunable Adhesion from Stoichiometry-controlled and Sequence-defined Supramolecular Polymers Emerges Hierarchically from Cyanostar-stabilized Anion-anion Linkages.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12645","","","0.71073","MoKα","","0.2372","0.1466","","","0.3744","0.4053","","","","","","2.074","","","","has coordinates,has disorder","247226","2020-10-21","18:00:00",""
"4134040","6.3624","0.0003","10.6132","0.0004","25.6176","0.0011","90","","90","","90","","1729.84","0.13","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 F3 N O -","- C18 H26 F3 N O -","- C72 H104 F12 N4 O4 -","4","1","","Yao, Chengbo; Wang, Shuai; Norton, Jack R.; Hammond, Matthew","Catalyzing the Hydrodefluorination of CF3-substituted Alkenes by PhSiH3. H• Transfer from a Nickel Hydride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13757","","","0.71073","MoKα","","0.0541","0.0414","","","0.0981","0.1069","","","","","","1.029","","","","has coordinates","247227","2020-10-21","18:00:00",""
"4134041","9.6023","0.0004","9.8505","0.0004","21.0495","0.0008","87.9879","0.0015","82.7837","0.0015","88.3199","0.0014","1973.41","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H54 Mo O2 Sn -","- C43 H54 Mo O2 Sn -","- C86 H108 Mo2 O4 Sn2 -","2","1","","Queen, Joshua D.; Phung, Alice C.; Caputo, Christine A.; Fettinger, James C.; Power, Philip P.","Metathetical Exchange between Metal-Metal Triple Bonds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13604","","","1.54178","CuKα","","0.0568","0.0542","","","0.1236","0.1256","","","","","","1.066","","","","has coordinates,has disorder","247244","2020-10-21","18:00:00",""
"4134042","11.3692","0.0009","16.3298","0.0012","18.411","0.0014","90","","102.462","0.001","90","","3337.6","0.4","90","2","90.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H42 Ge Mo O2 -","- C37 H42 Ge Mo O2 -","- C148 H168 Ge4 Mo4 O8 -","4","1","","Queen, Joshua D.; Phung, Alice C.; Caputo, Christine A.; Fettinger, James C.; Power, Philip P.","Metathetical Exchange between Metal-Metal Triple Bonds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13604","","","0.71073","MoKα","","0.0314","0.0243","","","0.0576","0.0604","","","","","","1.024","","","","has coordinates","247245","2020-10-21","18:00:00",""
"4134043","13.3557","0.0004","10.6317","0.0003","28.1313","0.0008","90","","94.2515","0.0011","90","","3983.5","0.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H54 Mo O2 Pb -","- C43 H54 Mo O2 Pb -","- C172 H216 Mo4 O8 Pb4 -","4","1","","Queen, Joshua D.; Phung, Alice C.; Caputo, Christine A.; Fettinger, James C.; Power, Philip P.","Metathetical Exchange between Metal-Metal Triple Bonds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13604","","","0.71073","MoKα","","0.0378","0.0269","","","0.0512","0.0549","","","","","","1.033","","","","has coordinates,has disorder","247246","2020-10-21","18:00:00",""
"4134044","8.5886","0.0007","17.4666","0.0014","22.6926","0.0019","90","","97.277","0.001","90","","3376.8","0.5","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 Mo O3 Sn -","- C38 H42 Mo O3 Sn -","- C152 H168 Mo4 O12 Sn4 -","4","1","","Queen, Joshua D.; Phung, Alice C.; Caputo, Christine A.; Fettinger, James C.; Power, Philip P.","Metathetical Exchange between Metal-Metal Triple Bonds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13604","","","0.71073","MoKα","","0.0312","0.0221","","","0.0443","0.0473","","","","","","1.027","","","","has coordinates","247247","2020-10-21","18:00:00",""
"4134047","10.7525","0.0003","13.2311","0.0004","15.5424","0.0004","105.225","0.001","105.903","0.001","108.352","0.001","1865.15","0.09","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C43 H48 O8 -","- C43 H48 O8 -","- C86 H96 O16 -","2","1","","Zhou, Jiong; Yu, Guocan; Li, Qing; Wang, Mengbin; Huang, Feihe","Separation of Benzene and Cyclohexane by Nonporous Adaptive Crystals of Hybrid[3]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13548","","","0.71073","MoKα","","0.0503","0.0426","","","0.1118","0.1186","","","","","","1.013","","","","has coordinates","247266","2020-10-21","18:00:00",""
"4134048","16.871","0.003","16.871","0.003","14.955","0.002","90","","90","","120","","3686.4","1","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 Co2.06 N6 O13 Ti0.94 -","- C42 H24 Co2.07 N6 O13 Ti0.93 -","- C84 H48 Co4.14 N12 O26 Ti1.86 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.0427","0.0338","","","0.1439","0.1493","","","","","","1.17","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00",""
"4134049","16.89","0.02","16.89","0.02","14.94","0.02","90","","90","","120","","3691","8","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 Co2 N6 O13 V -","- C42 H24 Co2.0001 N6 O13 V0.9999 -","- C84 H48 Co4.0002 N12 O26 V1.9998 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.0634","0.0443","","","0.1094","0.114","","","","","","1.042","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00",""
"4134050","17.234","0.004","17.234","0.004","14.537","0.003","90","","90","","120","","3739.2","1.4","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C45 H27 Mg2.25 N3 O13 Ti0.75 -","- C45 H27 Mg2.244 N3 O13 Ti0.756 -","- C90 H54 Mg4.488 N6 O26 Ti1.512 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.0571","0.0405","","","0.1509","0.1602","","","","","","1.062","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00",""
"4134051","17.2","0.03","17.2","0.03","14.75","0.03","90","","90","","120","","3779","12","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C44 H26 Mg2.16 N4 O13 Ti0.84 -","- C44.0001 H26.0001 Mg2.178 N3.9999 O13 Ti0.822 -","- C88.0002 H52.0002 Mg4.356 N7.9998 O26 Ti1.644 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.0542","0.0397","","","0.1173","0.1267","","","","","","1.083","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00",""
"4134052","17.014","0.012","17.014","0.012","14.838","0.01","90","","90","","120","","3720","4","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 Mg2.22 N6 O13 Ti0.78 -","- C42 H24 Mg2.196 N6 O13 Ti0.804 -","- C84 H48 Mg4.392 N12 O26 Ti1.608 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.0425","0.0338","","","0.1301","0.1354","","","","","","0.997","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00",""
"4134053","16.985","0.015","16.985","0.015","14.669","0.013","90","","90","","120","","3665","6","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 Mg2 N6 O13 V -","- C42 H24 Mg2.001 N6 O13 V0.999 -","- C84 H48 Mg4.002 N12 O26 V1.998 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.05","0.0381","","","0.1284","0.1321","","","","","","1.164","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00",""
"4134054","16.79","0.04","16.79","0.04","14.84","0.04","90","","90","","120","","3623","16","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C48 H30 Mg1.92 N6 O13 V1.08 -","- C48 H30 Mg1.893 N6 O13 V1.107 -","- C96 H60 Mg3.786 N12 O26 V2.214 -","2","0.0833333","","Yang, Huajun; Wang, Yanxiang; Krishna, Rajamani; Jia, Xiaoxia; Wang, Yong; Hong, Anh N.; Dang, Candy; Castillo, Henry E.; Bu, Xianhui; Feng, Pingyun","Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane‒Ethylene Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12924","","","0.71073","MoKα","","0.0991","0.0675","","","0.1759","0.1904","","","","","","1.187","","","","has coordinates,has disorder","247267","2020-10-21","18:00:00",""
"4134055","10.8613","0.0018","13.099","0.002","21.74","0.004","90","","99.381","0.003","90","","3051.6","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-((5'-(tert-butyl)-4,4""-dimethoxy-[1,1':3',1""-terphenyl]-4'-yl)amino)naphthalene-1,4-dione","","- C35 H32 Cl3 N O4 -","- C35 H32 Cl3 N O4 -","- C140 H128 Cl12 N4 O16 -","4","1","","Vaidya, Sagar Dilip; Toenjes, Sean T.; Yamamoto, Nobuyuki; Maddox, Sean M.; Gustafson, Jeffrey L.","Catalytic Atroposelective Synthesis of N-Aryl Quinoid Compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12994","","","0.71073","MoKα","","0.0306","0.0291","","","0.0784","0.0798","","","","","","1.024","","","","has coordinates","247289","2020-10-21","18:00:00",""
"4134056","8.9865","0.0004","13.2091","0.0006","11.2053","0.0005","90","","103.279","0.0019","90","","1294.55","0.1","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H24 Br F2 N O2 -","- C32 H24 Br F2 N O2 -","- C64 H48 Br2 F4 N2 O4 -","2","1","","Vaidya, Sagar Dilip; Toenjes, Sean T.; Yamamoto, Nobuyuki; Maddox, Sean M.; Gustafson, Jeffrey L.","Catalytic Atroposelective Synthesis of N-Aryl Quinoid Compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12994","","","0.71073","MoKα","","0.0173","0.0168","","","0.0465","0.0467","","","","","","1.061","","","","has coordinates","247290","2020-10-21","18:00:00",""
"4134057","7.41462","0.00009","10.40955","0.00011","20.8084","0.0002","90","","90","","90","","1606.05","0.03","140","0.1","140","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N3 O -","- C20 H17 N3 O -","- C80 H68 N12 O4 -","4","1","","Nguyen, Qui-Hien; Guo, Shu-Min; Royal, Titouan; Baudoin, Olivier; Cramer, Nicolai","Intermolecular Palladium(0)-Catalyzed Atropo-enantioselective C-H Arylation of Heteroarenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12299","","x-ray","1.54184","CuKα","","0.0272","0.0272","","","0.0781","0.0782","","","","","","1.094","","","","has coordinates","247291","2020-10-21","18:00:00",""
"4134058","7.90611","0.00007","11.94278","0.0001","20.962","0.0002","90","","90","","90","","1979.25","0.03","139.99","0.1","139.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O -","- C26 H21 N3 O -","- C104 H84 N12 O4 -","4","1","","Nguyen, Qui-Hien; Guo, Shu-Min; Royal, Titouan; Baudoin, Olivier; Cramer, Nicolai","Intermolecular Palladium(0)-Catalyzed Atropo-enantioselective C-H Arylation of Heteroarenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12299","","x-ray","1.54184","CuKα","","0.0294","0.029","","","0.0751","0.0756","","","","","","1.065","","","","has coordinates","247292","2020-10-21","18:00:00",""
"4134059","9.6294","0.00004","16.20428","0.00008","16.44875","0.00009","90","","90","","90","","2566.62","0.02","140","0.1","140","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 N6 O2 -","- C30 H26 N6 O2 -","- C120 H104 N24 O8 -","4","1","","Nguyen, Qui-Hien; Guo, Shu-Min; Royal, Titouan; Baudoin, Olivier; Cramer, Nicolai","Intermolecular Palladium(0)-Catalyzed Atropo-enantioselective C-H Arylation of Heteroarenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12299","","x-ray","1.54184","CuKα","","0.0247","0.0245","","","0.0658","0.0659","","","","","","1.038","","","","has coordinates","247293","2020-10-21","18:00:00",""
"4134060","19.081","0.0003","8.25102","0.00013","19.9954","0.0003","90","","98.3391","0.0015","90","","3114.75","0.08","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N3 O -","- C17 H19 N3 O -","- C136 H152 N24 O8 -","8","4","","Nguyen, Qui-Hien; Guo, Shu-Min; Royal, Titouan; Baudoin, Olivier; Cramer, Nicolai","Intermolecular Palladium(0)-Catalyzed Atropo-enantioselective C-H Arylation of Heteroarenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12299","","x-ray","1.54184","CuKα","","0.0405","0.0362","","","0.0961","0.0998","","","","","","1.016","","","","has coordinates,has disorder","247294","2020-10-21","18:00:00",""
"4134061","11.1841","0.0005","11.6216","0.0006","11.9725","0.0004","115.042","0.004","97.311","0.004","99.56","0.004","1355.87","0.12","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H88 N5 O2 Si8 U2 -","- C32 H88 N5 O2 Si8 U2 -","- C32 H88 N5 O2 Si8 U2 -","1","0.5","","Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12804","","x-ray","1.54184","CuKα","","0.0417","0.0351","","","0.0797","0.0828","","","","","","1.045","","","","has coordinates,has disorder","247295","2020-10-21","18:00:00",""
"4134062","12.4354","0.0002","14.5903","0.0003","21.2165","0.0005","84.8203","0.0018","81.3108","0.0017","68.8597","0.0018","3546.49","0.13","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C56 H108 B N5 O2 Si8 U2 -","- C56 H108 B N5 O2 Si8 U2 -","- C112 H216 B2 N10 O4 Si16 U4 -","2","1","","Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12804","","x-ray","0.71073","MoKα","","0.0493","0.0314","","","0.0499","0.0545","","","","","","1.024","","","","has coordinates","247296","2020-10-21","18:00:00",""
"4134063","12.0237","0.0003","26.7386","0.0006","16.445","0.0004","90","","108.891","0.003","90","","5002.2","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H79 N5 O Si8 U2 -","- C28 H79 N5 O Si8 U2 -","- C112 H316 N20 O4 Si32 U8 -","4","1","","Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12804","","x-ray","0.71073","MoKα","","0.0908","0.0901","","","0.2343","0.235","","","","","","1.131","","","","has coordinates","247297","2020-10-21","18:00:00",""
"4134064","10.4218","0.0016","12.6637","0.0019","21.703","0.003","84.395","0.013","76.525","0.013","77.75","0.013","2718.6","0.7","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H90 N5 O2 Si8 U2 -","- C32 H90 N5 O2 Si8 U2 -","- C64 H180 N10 O4 Si16 U4 -","2","1","","Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12804","","x-ray","1.54184","CuKα","","0.1816","0.0824","","","0.1817","0.2128","","","","","","0.804","","","","has coordinates","247298","2020-10-21","18:00:00",""
"4134065","12.3775","0.0004","15.2039","0.0004","32.5115","0.001","92.605","0.002","92.492","0.003","109.741","0.003","5741.4","0.3","140.2","0.6","140.2","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C72 H171 N10 O2 Si16 U4 -","- C72 H171 N10 O2 Si16 U4 -","- C144 H342 N20 O4 Si32 U8 -","2","1","","Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12804","","x-ray","1.54184","CuKα","","0.1106","0.0667","","","0.1478","0.1739","","","","","","1.009","","","","has coordinates","247299","2020-10-21","18:00:00",""
"4134066","18.1022","0.0005","13.8129","0.0005","26.1373","0.0007","90","","103.954","0.003","90","","6342.6","0.3","140","0.1","140","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H78 N4 O Si6 U2 -","- C46 H78 N4 O Si6 U2 -","- C184 H312 N16 O4 Si24 U8 -","4","1","","Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12804","","x-ray","0.71073","MoKα","","0.1143","0.0429","","","0.077","0.086","","","","","","0.82","","","","has coordinates","247300","2020-10-21","18:00:00",""
"4134067","20.4459","0.0004","20.6717","0.0004","20.7789","0.0004","85.1695","0.0017","76.7807","0.0018","68.9745","0.0019","7980.3","0.3","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C87 H242 N15 O2 Si24 U6 -","- C87 H242 N15 O2 Si24 U6 -","- C174 H484 N30 O4 Si48 U12 -","2","1","","Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12804","","x-ray","1.54184","CuKα","","0.0479","0.0383","","","0.0913","0.0967","","","","","","1.017","","","","has coordinates,has disorder","247301","2020-10-21","18:00:00",""
"4134068","10.9866","0.0005","12.0174","0.0005","12.0565","0.0007","119.636","0.006","90.69","0.004","102.546","0.004","1337.1","0.15","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H88 N5 O2 Si8 U2 -","- C32 H88.156 N5.078 O2 Si8 U2 -","- C32 H88.156 N5.078 O2 Si8 U2 -","1","0.5","","Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12804","","x-ray","1.54184","CuKα","","0.0543","0.0522","","","0.1383","0.1411","","","","","","1.031","","","","has coordinates,has disorder","247302","2020-10-21","18:00:00",""
"4134069","16.3376","0.0007","16.4904","0.0008","25.6818","0.001","71.615","0.004","78.674","0.004","60.468","0.005","5705.8","0.5","100","0.11","100","0.11","","","","","","","","3","P -1","-P 1","2","","","","- C90 H135 Au23 -","- C90 H135 Au23 -","- C180 H270 Au46 -","2","1","","Guan, Zong-Jie; Hu, Feng; Li, Jiao-Jiao; Wen, Zhao-Rui; Lin, Yu-Mei; Wang, Quan-Ming","Isomerization in Alkynyl-Protected Gold Nanoclusters.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11836","","","0.71073","MoKα","","0.0815","0.0608","","","0.1358","0.1489","","","","","","1.038","","","","has coordinates,has disorder","247303","2020-10-21","18:00:00",""
"4134070","17.3791","0.0005","19.0145","0.0006","19.144","0.0006","78.085","0.003","72.959","0.003","86.481","0.003","5918.2","0.3","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C90 H135 Au23 -","- C90 H135 Au23 -","- C180 H270 Au46 -","2","1","","Guan, Zong-Jie; Hu, Feng; Li, Jiao-Jiao; Wen, Zhao-Rui; Lin, Yu-Mei; Wang, Quan-Ming","Isomerization in Alkynyl-Protected Gold Nanoclusters.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11836","","","0.71073","MoKα","","0.0988","0.0701","","","0.152","0.1715","","","","","","1.049","","","","has coordinates,has disorder","247304","2020-10-21","18:00:00",""
"4134071","13.7297","0.0009","8.6471","0.0005","11.9568","0.0015","90","","90","","90","","1419.5","0.2","223","2","223","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H10 Cl4 Fe2 -","- C10 H10 Cl4 Fe2 -","- C40 H40 Cl16 Fe8 -","4","0.5","","Zhang, Han-Yue; Hu, Chun-Li; Hu, Zhao-Bo; Mao, Jiang-Gao; Song, You; Xiong, Ren-Gen","Narrow Band Gap Observed in a Molecular Ferroelastic: Ferrocenium Tetrachloroferrate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13446","","","0.71073","MoKα","","0.0834","0.0631","","","0.1792","0.1936","","","","","","0.976","","","","has coordinates","247305","2020-10-21","18:00:00",""
"4134072","13.902","0.002","8.7619","0.0014","11.972","0.0014","90","","90","","90","","1458.3","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H10 Cl4 Fe Ga -","- C10 H10 Cl4 Fe Ga -","- C40 H40 Cl16 Fe4 Ga4 -","4","0.5","","Zhang, Han-Yue; Hu, Chun-Li; Hu, Zhao-Bo; Mao, Jiang-Gao; Song, You; Xiong, Ren-Gen","Narrow Band Gap Observed in a Molecular Ferroelastic: Ferrocenium Tetrachloroferrate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13446","","","0.71073","MoKα","","0.1431","0.0578","","","0.1213","0.1474","","","","","","1.012","","","","has coordinates","247306","2020-10-21","18:00:00",""
"4134073","13.8181","0.0013","8.7371","0.0009","11.9538","0.0018","90","","90","","90","","1443.2","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H10 Cl4 Fe2 -","- C10 H10 Cl4 Fe2 -","- C40 H40 Cl16 Fe8 -","4","0.5","","Zhang, Han-Yue; Hu, Chun-Li; Hu, Zhao-Bo; Mao, Jiang-Gao; Song, You; Xiong, Ren-Gen","Narrow Band Gap Observed in a Molecular Ferroelastic: Ferrocenium Tetrachloroferrate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13446","","","0.71073","MoKα","","0.1119","0.0882","","","0.2354","0.2507","","","","","","1.083","","","","has coordinates","247307","2020-10-21","18:00:00",""
"4134074","7.0073","0.0003","11.0777","0.0004","12.3625","0.0006","114.095","0.004","94.197","0.004","97.996","0.003","858.49","0.07","179.99","0.1","179.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","0.71073","MoKα","","0.0638","0.052","","","0.1451","0.1529","","","","","","1.047","","","","has coordinates","247308","2020-10-21","18:00:00",""
"4134075","8.8797","0.0003","11.8527","0.0004","14.9997","0.0005","90","","90","","90","","1578.69","0.09","179.99","0.1","179.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","0.71073","MoKα","","0.0392","0.0352","","","0.0939","0.096","","","","","","1.033","","","","has coordinates","247309","2020-10-21","18:00:00",""
"4134076","12.2894","0.0002","8.5781","0.0001","16.1793","0.0002","90","","90","","90","","1705.62","0.04","180","0.12","180","0.12","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","1.54184","CuKα","","0.0328","0.0321","","","0.0866","0.0873","","","","","","1.057","","","","has coordinates","247310","2020-10-21","18:00:00",""
"4134077","7.9564","0.0004","8.9245","0.0005","23.0248","0.001","90","","96.003","0.004","90","","1625.95","0.14","179.99","0.1","179.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C80 H104 O8 -","4","1","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","0.71073","MoKα","","0.0722","0.0546","","","0.1388","0.1497","","","","","","1.002","","","","has coordinates","247311","2020-10-21","18:00:00",""
"4134078","20.5218","0.0004","11.9368","0.0002","13.426","0.0002","90","","93.652","0.002","90","","3282.22","0.1","180.01","0.1","180.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C160 H208 O16 -","8","2","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","1.54184","CuKα","","0.0647","0.0556","","","0.1521","0.1594","","","","","","1.045","","","","has coordinates","247312","2020-10-21","18:00:00",""
"4134079","6.5447","0.0002","11.3048","0.0004","12.0755","0.0003","103.67","0.002","90.651","0.002","94.336","0.003","865.24","0.05","179.99","0.14","179.99","0.14","","","","","","","","3","P -1","-P 1","2","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","1.54184","CuKα","","0.0415","0.0374","","","0.1017","0.1046","","","","","","1.084","","","","has coordinates","247313","2020-10-21","18:00:00",""
"4134080","20.4927","0.0005","13.2198","0.0003","12.8593","0.0003","90","","102.596","0.002","90","","3399.86","0.14","180","0.1","180","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C160 H240 O16 -","8","2","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","0.71073","MoKα","","0.0687","0.0485","","","0.1279","0.1381","","","","","","1.058","","","","has coordinates","247314","2020-10-21","18:00:00",""
"4134081","11.9584","0.0002","26.4385","0.0007","31.6565","0.001","90","","90","","90","","10008.6","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C480 H672 O48 -","24","3","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","0.71073","MoKα","","0.0949","0.0635","","","0.1504","0.1789","","","","","","1.028","","","","has coordinates","247315","2020-10-21","18:00:00",""
"4134082","20.9667","0.0003","20.9667","0.0003","7.7032","0.0003","90","","90","","90","","3386.35","0.15","179.99","0.1","179.99","0.1","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C20 H30 O -","- C20 H30 O -","- C160 H240 O8 -","8","1","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","0.71073","MoKα","","0.0736","0.0516","","","0.1133","0.122","","","","","","1.066","","","","has coordinates","247316","2020-10-21","18:00:00",""
"4134083","10.9261","0.0006","17.1581","0.0009","37.691","0.002","90","","90","","90","","7066","0.7","200","2","199.99","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H33 Ba F6 N3 O12 S2 -","- C27 H33 Ba F6 N3 O12 S2 -","- C216 H264 Ba8 F48 N24 O96 S16 -","8","1","","Kumar, Amit; Lionetti, Davide; Day, Victor; Blakemore, James D.","Redox-Inactive Metal Cations Modulate the Reduction Potential of the Uranyl Ion in Macrocyclic Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11903","","","1.54178","CuKα","","0.0408","0.037","","","0.098","0.1008","","","","","","1.032","","","","has coordinates","247350","2020-10-21","18:00:00",""
"4134084","11.8509","0.0003","12.0635","0.0004","17.8749","0.0005","90","","90","","90","","2555.46","0.13","200","2","199.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N3 O8 U -","- C25 H31 N3 O8 U -","- C100 H124 N12 O32 U4 -","4","1","","Kumar, Amit; Lionetti, Davide; Day, Victor; Blakemore, James D.","Redox-Inactive Metal Cations Modulate the Reduction Potential of the Uranyl Ion in Macrocyclic Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11903","","","1.54178","CuKα","","0.0322","0.0298","","","0.07","0.0711","","","","","","1.043","","","","has coordinates,has disorder","247350","2020-10-21","18:00:00",""
"4134085","12.9299","0.0006","13.2222","0.0006","18.4887","0.0009","90","","90","","90","","3160.9","0.3","200","2","199.99","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 F3 K N3 O11 S U -","- C26 H31 F3 K N3 O11 S U -","- C104 H124 F12 K4 N12 O44 S4 U4 -","4","1","","Kumar, Amit; Lionetti, Davide; Day, Victor; Blakemore, James D.","Redox-Inactive Metal Cations Modulate the Reduction Potential of the Uranyl Ion in Macrocyclic Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11903","","","1.54178","CuKα","","0.04","0.0357","","","0.0953","0.099","","","","","","1.088","","","","has coordinates,has disorder","247350","2020-10-21","18:00:00",""
"4134086","12.9352","0.0002","13.2651","0.0002","18.4739","0.0003","90","","90","","90","","3169.88","0.09","200","2","199.99","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 F3 N3 Na O11 S U -","- C26 H31 F3 N3 Na O11 S U -","- C104 H124 F12 N12 Na4 O44 S4 U4 -","4","1","","Kumar, Amit; Lionetti, Davide; Day, Victor; Blakemore, James D.","Redox-Inactive Metal Cations Modulate the Reduction Potential of the Uranyl Ion in Macrocyclic Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11903","","","1.54178","CuKα","","0.0296","0.0272","","","0.0643","0.0658","","","","","","1.095","","","","has coordinates,has disorder","247350","2020-10-21","18:00:00",""
"4134087","12.7589","0.0009","13.2831","0.0009","13.7644","0.001","79.402","0.003","64.575","0.003","81.805","0.003","2065.6","0.3","200","2","199.99","","","","","","","","","8","P -1","-P 1","2","","","","- C29.5 H42 Ca F6 N3 O17 S2 U -","- C29.5 H42 Ca F6 N3 O17 S2 U -","- C59 H84 Ca2 F12 N6 O34 S4 U2 -","2","1","","Kumar, Amit; Lionetti, Davide; Day, Victor; Blakemore, James D.","Redox-Inactive Metal Cations Modulate the Reduction Potential of the Uranyl Ion in Macrocyclic Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11903","","","1.54178","CuKα","","0.0403","0.037","","","0.085","0.0866","","","","","","1.093","","","","has coordinates,has disorder","247350","2020-10-21","18:00:00",""
"4134088","9.1814","0.0006","13.6032","0.0008","18.8769","0.0012","102.095","0.005","102.738","0.006","103.991","0.005","2143.6","0.3","200","2","199.99","","","","","","","","","8","P -1","-P 1","2","","","","- C30 H34 F9 N4 O17 S3 U Y -","- C30 H34 F9 N4 O17 S3 U Y -","- C60 H68 F18 N8 O34 S6 U2 Y2 -","2","1","","Kumar, Amit; Lionetti, Davide; Day, Victor; Blakemore, James D.","Redox-Inactive Metal Cations Modulate the Reduction Potential of the Uranyl Ion in Macrocyclic Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11903","","","1.54178","CuKα","","0.0669","0.0498","","","0.1223","0.1326","","","","","","1.067","","","","has coordinates","247350","2020-10-21","18:00:00",""
"4134089","7.3867","0.0015","12.145","0.002","15.767","0.003","87.77","0.03","85","0.03","86.84","0.03","1406.1","0.5","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C22.5 H32 Cl3 F3 N2 O3 Pd S -","- C22.5 H32 Cl3 F3 N2 O3 Pd S -","- C45 H64 Cl6 F6 N4 O6 Pd2 S2 -","2","1","","Wang, Yaning; Chai, Junli; You, Chang; Zhang, Jie; Mi, Xueling; Zhang, Long; Luo, Sanzhong","π-Coordinating Chiral Primary Amine/Palladium Synergistic Catalysis for Asymmetric Allylic Alkylation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13026","","","0.71073","MoKα","","0.0618","0.0595","","","0.1327","0.1353","","","","","","1.162","","","","has coordinates,has disorder","247383","2020-10-21","18:00:00",""
"4134090","9.365","0.003","11.859","0.003","13.177","0.003","106.417","0.014","110.789","0.012","93.976","0.015","1288.7","0.6","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C45.17 H60 Cl2 F6 N4 O6 Pd2 S2 -","- C45.084 H60 Cl2 F6 N4 O6 Pd2 S2 -","- C45.084 H60 Cl2 F6 N4 O6 Pd2 S2 -","1","0.5","","Wang, Yaning; Chai, Junli; You, Chang; Zhang, Jie; Mi, Xueling; Zhang, Long; Luo, Sanzhong","π-Coordinating Chiral Primary Amine/Palladium Synergistic Catalysis for Asymmetric Allylic Alkylation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13026","","","0.71073","MoKα","","0.0789","0.0748","","","0.1684","0.1709","","","","","","1.191","","","","has coordinates,has disorder","247384","2020-10-21","18:00:00",""
"4134091","20.6736","0.0004","15.6007","0.0004","36.5467","0.0006","90","","106.33","0.002","90","","11311.6","0.4","172.98","0.1","172.98","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H42 F3 O4 P2 S Se2 -","- C52 H42 F3 O4 P2 S Se2 -","- C416 H336 F24 O32 P16 S8 Se16 -","8","2","","Wang, Wei; Zhu, Haofu; Feng, Lei; Yu, Qun; Hao, Jing-Cheng; Zhu, Rongxiu; Wang, Yao","Dual Chalcogen-Chalcogen Bonding Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12610","","x-ray","1.54178","CuKα","","0.1081","0.0859","","","0.2335","0.2578","","","","","","1.086","","","","has coordinates,has disorder","247385","2020-10-21","18:00:00",""
"4134092","12.1051","0.0001","11.7634","0.0002","15.6847","0.0002","90","","93.563","0.001","90","","2229.14","0.05","173","0.1","173","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 B F4 P Se -","- C24 H20 B F4 P Se -","- C96 H80 B4 F16 P4 Se4 -","4","1","","Wang, Wei; Zhu, Haofu; Feng, Lei; Yu, Qun; Hao, Jing-Cheng; Zhu, Rongxiu; Wang, Yao","Dual Chalcogen-Chalcogen Bonding Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12610","","x-ray","1.54184","CuKα","","0.0552","0.0441","","","0.1108","0.1211","","","","","","1.082","","","","has coordinates","247386","2020-10-21","18:00:00",""
"4134093","12.0332","0.0002","11.753","0.0002","16.0509","0.0002","90","","93.988","0.001","90","","2264.52","0.06","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 B F4 P S -","- C24 H20 B F4 P S -","- C96 H80 B4 F16 P4 S4 -","4","1","","Wang, Wei; Zhu, Haofu; Feng, Lei; Yu, Qun; Hao, Jing-Cheng; Zhu, Rongxiu; Wang, Yao","Dual Chalcogen-Chalcogen Bonding Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12610","","x-ray","1.54184","CuKα","","0.0927","0.0818","","","0.2041","0.2139","","","","","","1.067","","","","has coordinates,has disorder","247387","2020-10-21","18:00:00",""
"4134094","13.1005","0.0004","9.2621","0.0002","24.6121","0.0006","90","","91.1697","0.0013","90","","2985.76","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H42 F6 N2 O4 -","- C29 H42 F6 N2 O4 -","- C116 H168 F24 N8 O16 -","4","2","","Liu, Hong-Bing; Imler, Gregory H.; Baldridge, Kim K.; O'Connor, Robert D; Siegel, Jay S.; Deschamps, Jeffrey R.; Bewley, Carole A.","X-ray Crystallography and Unexpected Chiroptical Properties Reassign the Configuration of Haliclonadiamine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12926","","","1.54178","CuKα","","0.0416","0.04","","","0.106","0.1075","","","","","","1.024","","","","has coordinates,has disorder","247413","2020-10-21","18:00:00",""
"4134095","13.1044","0.0004","9.2541","0.0003","24.6027","0.0007","90","","91.239","0.0014","90","","2982.86","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H42 F6 N2 O4 -","- C29 H42 F6 N2 O4 -","- C116 H168 F24 N8 O16 -","4","2","","Liu, Hong-Bing; Imler, Gregory H.; Baldridge, Kim K.; O'Connor, Robert D; Siegel, Jay S.; Deschamps, Jeffrey R.; Bewley, Carole A.","X-ray Crystallography and Unexpected Chiroptical Properties Reassign the Configuration of Haliclonadiamine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12926","","","1.54178","CuKα","","0.0433","0.0396","","","0.1008","0.1027","","","","","","1.018","","","","has coordinates,has disorder","247414","2020-10-21","18:00:00",""
"4134096","9.4985","0.0003","15.8907","0.0005","16.0857","0.0005","101.396","0.0017","97.1969","0.0019","92.7279","0.0016","2354.78","0.13","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H42 F6 N2 O4 -","- C29 H42 F6 N2 O4 -","- C87 H126 F18 N6 O12 -","3","3","","Liu, Hong-Bing; Imler, Gregory H.; Baldridge, Kim K.; O'Connor, Robert D; Siegel, Jay S.; Deschamps, Jeffrey R.; Bewley, Carole A.","X-ray Crystallography and Unexpected Chiroptical Properties Reassign the Configuration of Haliclonadiamine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12926","","","1.54178","CuKα","","0.1041","0.0578","","","0.136","0.1548","","","","","","1.016","","","","has coordinates,has disorder","247415","2020-10-21","18:00:00",""
"4134097","10.024","0.0004","11.6749","0.0004","11.9422","0.0004","88.059","0.001","78.739","0.001","76.405","0.001","1332.17","0.08","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C46 H74 B2 Li2 N2 O14 S2 -","- C46 H74 B2 Li2 N2 O14 S2 -","- C46 H74 B2 Li2 N2 O14 S2 -","1","1","","Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin","CO<sub>2</sub> Activation by Lewis Pairs Generated Under Copper Catalysis Enables Difunctionalization of Imines.","Journal of the American Chemical Society","2020","142","4","1966","1974","10.1021/jacs.9b11423","","","0.71073","MoKα","","0.0399","0.0346","","","0.0874","0.0907","","","","","","1.029","","","","has coordinates","247474","2020-10-21","18:00:00",""
"4134098","11.3506","0.0008","21.435","0.0015","11.6494","0.0007","90","","118.503","0.003","90","","2490.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 B Li N O6 -","- C24 H33 B Li N O6 -","- C96 H132 B4 Li4 N4 O24 -","4","1","","Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin","CO<sub>2</sub> Activation by Lewis Pairs Generated Under Copper Catalysis Enables Difunctionalization of Imines.","Journal of the American Chemical Society","2020","142","4","1966","1974","10.1021/jacs.9b11423","","","0.71073","MoKα","","0.0656","0.0394","","","0.0852","0.0947","","","","","","1.052","","","","has coordinates","247475","2020-10-21","18:00:00",""
"4134099","10.566","0.0008","17.8925","0.0015","25.953","0.002","90","","101.234","0.003","90","","4812.5","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H67 B Cu N3 O5 -","- C51 H67 B Cu N3 O5 -","- C204 H268 B4 Cu4 N12 O20 -","4","1","","Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin","CO<sub>2</sub> Activation by Lewis Pairs Generated Under Copper Catalysis Enables Difunctionalization of Imines.","Journal of the American Chemical Society","2020","142","4","1966","1974","10.1021/jacs.9b11423","","","0.71073","MoKα","","0.087","0.053","","","0.1184","0.1331","","","","","","1.035","","","","has coordinates,has disorder","247476","2020-10-21","18:00:00",""
"4134100","13.1375","0.0009","7.6331","0.0005","17.7668","0.0011","90","","90","","90","","1781.7","0.2","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H13 B F4 N2 -","- C6 H13 B F4 N2 -","- C48 H104 B8 F32 N16 -","8","2","","Wei, Zhen-Hong; Jiang, Zhen-Tao; Zhang, Xiu-Xiu; Li, Ming-Li; Tang, Yuan-Yuan; Chen, Xiao-Gang; Cai, Hu; Xiong, Ren-Gen","Rational Design of Ceramic-Like Molecular Ferroelectric by Quasi-Spherical Theory.","Journal of the American Chemical Society","2020","142","4","1995","2000","10.1021/jacs.9b11665","","","0.71073","MoKα","","0.1151","0.0985","","","0.2697","0.2873","","","","","","1.002","","","","has coordinates","247478","2020-10-21","18:00:00",""
"4134101","13.1772","0.0009","7.6745","0.0005","17.759","0.002","90","","90","","90","","1795.9","0.3","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H13 B F4 N2 -","- C6 H13 B F4 N2 -","- C48 H104 B8 F32 N16 -","8","2","","Wei, Zhen-Hong; Jiang, Zhen-Tao; Zhang, Xiu-Xiu; Li, Ming-Li; Tang, Yuan-Yuan; Chen, Xiao-Gang; Cai, Hu; Xiong, Ren-Gen","Rational Design of Ceramic-Like Molecular Ferroelectric by Quasi-Spherical Theory.","Journal of the American Chemical Society","2020","142","4","1995","2000","10.1021/jacs.9b11665","","","0.71073","MoKα","","0.1267","0.1068","","","0.286","0.309","","","","","","1.002","","","","has coordinates","247479","2020-10-21","18:00:00",""
"4134102","13.1942","0.0012","7.7179","0.0006","17.793","0.003","90","","90","","90","","1811.9","0.4","273","2","273","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H13 B F4 N2 -","- C6 H13 B F4 N2 -","- C48 H104 B8 F32 N16 -","8","2","","Wei, Zhen-Hong; Jiang, Zhen-Tao; Zhang, Xiu-Xiu; Li, Ming-Li; Tang, Yuan-Yuan; Chen, Xiao-Gang; Cai, Hu; Xiong, Ren-Gen","Rational Design of Ceramic-Like Molecular Ferroelectric by Quasi-Spherical Theory.","Journal of the American Chemical Society","2020","142","4","1995","2000","10.1021/jacs.9b11665","","","0.71073","MoKα","","0.1281","0.1046","","","0.2894","0.3123","","","","","","1.003","","","","has coordinates","247480","2020-10-21","18:00:00",""
"4134103","11.6748","0.0007","15.0381","0.001","36.178","0.002","90","","90","","90","","6351.7","0.7","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H43 N3 -","- C40 H43 N3 -","- C320 H344 N24 -","8","1","","An, Feng; Maji, Biplab; Min, Elizabeth; Ofial, Armin R.; Mayr, Herbert","Basicities and Nucleophilicities of Pyrrolidines and Imidazolidinones Used as Organocatalysts.","Journal of the American Chemical Society","2020","142","3","1526","1547","10.1021/jacs.9b11877","","","0.71073","MoKα","","0.0801","0.0486","","","0.088","0.0979","","","","","","1.066","","","","has coordinates","247481","2020-10-21","18:00:00",""
"4134104","11.7135","0.0014","14.8409","0.0015","12.0272","0.0013","90","","106.018","0.004","90","","2009.6","0.4","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Br N3 -","- C25 H22 Br N3 -","- C100 H88 Br4 N12 -","4","1","","Lou, Shao-Jie; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Construction of All-Carbon Quaternary Stereocenters by Scandium-Catalyzed Intramolecular C-H Alkylation of Imidazoles with 1,1-Disubstituted Alkenes.","Journal of the American Chemical Society","2020","142","3","1200","1205","10.1021/jacs.9b12503","","","0.71073","MoKα","","0.0543","0.0481","","","0.13","0.1363","","","","","","1.044","","","","has coordinates","247482","2020-10-21","18:00:00",""
"4134105","6.1625","0.0005","8.0217","0.0007","12.3804","0.0011","91.478","0.007","97.316","0.007","111.443","0.008","563.27","0.09","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H25 Br N2 O -","- C27 H25 Br N2 O -","- C27 H25 Br N2 O -","1","1","","Lou, Shao-Jie; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Construction of All-Carbon Quaternary Stereocenters by Scandium-Catalyzed Intramolecular C-H Alkylation of Imidazoles with 1,1-Disubstituted Alkenes.","Journal of the American Chemical Society","2020","142","3","1200","1205","10.1021/jacs.9b12503","","","0.71073","MoKα","","0.0639","0.0545","","","0.1365","0.1418","","","","","","1.029","","","","has coordinates","247483","2020-10-21","18:00:00",""
"4134106","9.9079","0.0014","17.101","0.003","21.218","0.004","90","","97.44","0.005","90","","3564.8","1","273","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 -","- C23 H24 N2 -","- C184 H192 N16 -","8","2","","Lou, Shao-Jie; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Construction of All-Carbon Quaternary Stereocenters by Scandium-Catalyzed Intramolecular C-H Alkylation of Imidazoles with 1,1-Disubstituted Alkenes.","Journal of the American Chemical Society","2020","142","3","1200","1205","10.1021/jacs.9b12503","","","0.71073","MoKα","","0.1241","0.0926","","","0.2525","0.2996","","","","","","1.1796","","","","has coordinates","247484","2020-10-21","18:00:00",""
"4134107","51.021","0.003","8.3783","0.0007","8.2874","0.0006","90","","90","","90","","3542.6","0.4","298","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C10 H36 Br10 N4 Sn3 -","- C10 H36 Br10 N4 Sn3 -","- C40 H144 Br40 N16 Sn12 -","4","0.5","","Li, Lina; Liu, Xitao; He, Chao; Wang, Sasa; Ji, Chengmin; Zhang, Xinyuan; Sun, Zhihua; Zhao, Sangen; Hong, Maochun; Luo, Junhua","A Potential Sn-Based Hybrid Perovskite Ferroelectric Semiconductor.","Journal of the American Chemical Society","2020","142","3","1159","1163","10.1021/jacs.9b11341","","","0.71073","MoKα","","0.1423","0.1029","","","0.2531","0.2775","","","","","","1.103","","","","has coordinates","247485","2020-10-21","18:00:00",""
"4134108","5.9165","0.0008","5.9165","0.0008","51.658","0.007","90","","90","","90","","1808.3","0.4","373","2","373","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C10 H36 Br10 N4 Sn3 -","- C10 H36 Br10 N4 Sn3 -","- C20 H72 Br20 N8 Sn6 -","2","0.125","","Li, Lina; Liu, Xitao; He, Chao; Wang, Sasa; Ji, Chengmin; Zhang, Xinyuan; Sun, Zhihua; Zhao, Sangen; Hong, Maochun; Luo, Junhua","A Potential Sn-Based Hybrid Perovskite Ferroelectric Semiconductor.","Journal of the American Chemical Society","2020","142","3","1159","1163","10.1021/jacs.9b11341","","","0.71073","MoKα","","0.0836","0.0431","","","0.0924","0.1123","","","","","","1.03","","","","has coordinates,has disorder","247486","2020-10-21","18:00:00",""
"4134109","8.3285","0.0003","51.1418","0.0017","8.3709","0.0003","90","","90","","90","","3565.5","0.2","330","2","330","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C10 H36 Br10 N4 Sn3 -","- C10 H36 Br10 N4 Sn3 -","- C40 H144 Br40 N16 Sn12 -","4","0.25","","Li, Lina; Liu, Xitao; He, Chao; Wang, Sasa; Ji, Chengmin; Zhang, Xinyuan; Sun, Zhihua; Zhao, Sangen; Hong, Maochun; Luo, Junhua","A Potential Sn-Based Hybrid Perovskite Ferroelectric Semiconductor.","Journal of the American Chemical Society","2020","142","3","1159","1163","10.1021/jacs.9b11341","","","0.71073","MoKα","","0.089","0.0628","","","0.175","0.2008","","","","","","1.007","","","","has coordinates","247487","2020-10-21","18:00:00",""
"4134110","28.1578","0.0002","10.3555","0.0001","12.9667","0.0001","90","","93.156","0.001","90","","3775.2","0.05","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C176 H208 N16 O24 -","8","1","","Haelsig, Karl T.; Xuan, Jun; Maimone, Thomas J.","Total Synthesis of (-)-Curvulamine.","Journal of the American Chemical Society","2020","142","3","1206","1210","10.1021/jacs.9b12546","","","1.54184","CuKα","","0.0415","0.0393","","","0.1061","0.1079","","","","","","1.07","","","","has coordinates","247488","2020-10-21","18:00:00",""
"4134111","33.4692","0.0014","33.4692","0.0014","33.4692","0.0014","90","","90","","90","","37492","3","230","2","230","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C120 H72 N12 O33.88 Yb6 -","- C120 H72 N12 O33.86 Yb6 -","- C480 H288 N48 O135.44 Yb24 -","4","0.0208333","","Luo, Tian-Yi; White, David L.; Liu, Chong; Star, Alexander; Rosi, Nathaniel L.; Das, Prasenjit","Luminescence ""Turn-On"" Detection of Gossypol using Ln3±Based Metal-Organic Frameworks and Ln Salts.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11429","","x-ray","1.54178","CuKα","","0.107","0.0983","","","0.2754","0.2831","","","","","","1.308","","","","has coordinates","247489","2020-10-21","18:00:00",""
"4134112","20.9151","0.0004","12.757","0.0002","18.9773","0.0003","90","","100.09","0.0018","90","","4985.1","0.15","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C69 H50 Cl2 -","- C69 H50 Cl2 -","- C276 H200 Cl8 -","4","1","","Li, Yuanming; Yagi, Akiko; Itami, Kenichiro","Synthesis of Highly Twisted, Nonplanar Aromatic Macrocycles Enabled by Axially Chiral 4,5-Diphenylphenanthrene Building Block.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13549","","","0.71073","MoKα","","0.0576","0.0508","","","0.1408","0.1465","","","","","","1.031","","","","has coordinates,has disorder","247490","2020-10-21","18:00:00",""
"4134113","12.1203","0.0004","20.8051","0.0008","21.0967","0.0007","90","","90","","90","","5319.8","0.3","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C73 H58 Cl2 -","- C73 H58 Cl2 -","- C292 H232 Cl8 -","4","1","","Li, Yuanming; Yagi, Akiko; Itami, Kenichiro","Synthesis of Highly Twisted, Nonplanar Aromatic Macrocycles Enabled by Axially Chiral 4,5-Diphenylphenanthrene Building Block.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13549","","","0.71073","MoKα","","0.0821","0.0727","","","0.1937","0.1991","","","","","","1.036","","","","has coordinates,has disorder","247491","2020-10-21","18:00:00",""
"4134114","4.5618","0.0004","16.2462","0.0015","24.088","0.002","90","","91.259","0.01","90","","1784.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","o-phenanthroline / 1,4-diiodotetrafluorobenzene","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C72 H32 F16 I8 N8 -","4","1","","Ruiz-Preciado, Marco A; Kubicki, Dominik J.; Hofstetter, Albert; McGovern, Lucie; Futscher, Moritz H.; Ummadisingu, Amita; Gershoni-Poranne, Renana; Zakeeruddin, Shaik M.; Ehrler, Bruno; Emsley, Lyndon; Milić, Jovana V; Grätzel, Michael","Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional <sup>19</sup>F Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2020","142","3","1645","1654","10.1021/jacs.9b13701","","","0.71073","MoKα","","0.0763","0.048","","","0.103","0.1092","","","","","","1.029","","","","has coordinates","247492","2020-10-21","18:00:00",""
"4134115","10.4907","0.0002","5.5679","0.0001","23.0787","0.0004","90","","90.765","0.001","90","","1347.93","0.04","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","acr-tfib 2/1","acridine-tetrafluoro-1,4-dioodobenzene 2/1","","- C32 H18 F4 I2 N2 -","- C32 H18 F4 I2 N2 -","- C64 H36 F8 I4 N4 -","2","0.5","","Ruiz-Preciado, Marco A; Kubicki, Dominik J.; Hofstetter, Albert; McGovern, Lucie; Futscher, Moritz H.; Ummadisingu, Amita; Gershoni-Poranne, Renana; Zakeeruddin, Shaik M.; Ehrler, Bruno; Emsley, Lyndon; Milić, Jovana V; Grätzel, Michael","Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional <sup>19</sup>F Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2020","142","3","1645","1654","10.1021/jacs.9b13701","","","0.71073","MoKα","","0.0514","0.0346","","","0.096","0.1249","","","","","","1.214","","","","has coordinates","247493","2020-10-21","18:00:00",""
"4134116","11.0573","0.0004","5.7031","0.0002","14.0136","0.0006","90","","106.908","0.003","90","","845.51","0.06","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,3,5,6-tetramethylpyrazine / 1,4-diiodotetrafluorobenzene","2,3,5,6-tetramethylpyrazine / 1,4-diiodotetrafluorobenzene","","- C14 H12 F4 I2 N2 -","- C14 H12 F4 I2 N2 -","- C28 H24 F8 I4 N4 -","2","0.5","","Ruiz-Preciado, Marco A; Kubicki, Dominik J.; Hofstetter, Albert; McGovern, Lucie; Futscher, Moritz H.; Ummadisingu, Amita; Gershoni-Poranne, Renana; Zakeeruddin, Shaik M.; Ehrler, Bruno; Emsley, Lyndon; Milić, Jovana V; Grätzel, Michael","Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional <sup>19</sup>F Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2020","142","3","1645","1654","10.1021/jacs.9b13701","","","0.71073","MoKα","","0.0586","0.0297","","","0.0675","0.0785","","","","","","1","","","","has coordinates","247494","2020-10-21","18:00:00",""
"4134117","8.6329","0.0012","9.156","0.0013","12.5796","0.0018","99.119","0.002","100.021","0.003","90.017","0.002","966.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","5-fluorouracil","","- C4 H3 F N2 O2 -","- C4 H3 F N2 O2 -","- C32 H24 F8 N16 O16 -","8","4","","Ruiz-Preciado, Marco A; Kubicki, Dominik J.; Hofstetter, Albert; McGovern, Lucie; Futscher, Moritz H.; Ummadisingu, Amita; Gershoni-Poranne, Renana; Zakeeruddin, Shaik M.; Ehrler, Bruno; Emsley, Lyndon; Milić, Jovana V; Grätzel, Michael","Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional <sup>19</sup>F Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2020","142","3","1645","1654","10.1021/jacs.9b13701","","","0.71073","MoKα","","0.0661","0.0491","","","0.1112","0.1216","","","","","","1.017","","","","has coordinates","247495","2020-10-21","18:00:00",""
"4134118","16.8553","0.0004","12.3832","0.0003","37.1996","0.0008","90","","93.846","0.002","90","","7746.9","0.3","170","0.1","170","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H51 N O2 -","- C49 H51 N O2 -","- C392 H408 N8 O16 -","8","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.1141","0.0818","","","0.2209","0.2584","","","","","","1.042","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4134119","14.2903","0.0005","17.0847","0.0004","17.5892","0.0005","90","","97.972","0.003","90","","4252.8","0.2","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H52 Cl3 N -","- C51 H52 Cl3 N -","- C204 H208 Cl12 N4 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.1603","0.1252","","","0.3612","0.3981","","","","","","1.471","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4134120","33.0129","0.0012","14.4043","0.0005","25.2944","0.001","90","","112.475","0.004","90","","11114.6","0.8","100.2","0.9","100.2","0.9","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C67.53 H61.29 Cl3.64 -","- C67.557 H61.294 Cl3.647 -","- C540.456 H490.352 Cl29.176 -","8","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.1453","0.1151","","","0.3206","0.3593","","","","","","1.294","","","","has coordinates,has disorder","247498","2020-10-21","18:00:00",""
"4134121","10.5901","0.0001","13.8435","0.0002","26.7612","0.0004","90","","94.326","0.001","90","","3912.12","0.09","169.99","0.11","169.99","0.11","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H59 O2 -","- C50 H59 O2 -","- C200 H236 O8 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.107","0.0703","","","0.1856","0.2035","","","","","","1.097","","","","has coordinates","247499","2020-10-21","18:00:00",""
"4134122","17.5666","0.0004","11.9458","0.0002","21.4091","0.0005","90","","111.119","0.003","90","","4190.89","0.18","169.98","0.1","169.98","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C48 H68 -","- C48 H68 -","- C192 H272 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.0727","0.0702","","","0.1776","0.18","","","","","","1.076","","","","has coordinates","247500","2020-10-21","18:00:00",""
"4134123","14.1678","0.0002","17.2717","0.0003","17.8226","0.0002","90","","97.914","0.001","90","","4319.69","0.11","170","0.1","170","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H59 N -","- C50 H59 N -","- C200 H236 N4 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.0773","0.0616","","","0.1735","0.1885","","","","","","1.066","","","","has coordinates","247501","2020-10-21","18:00:00",""
"4134124","17.7064","0.0003","18.1407","0.0003","19.7159","0.0004","90","","108.079","0.002","90","","6020.2","0.2","169.99","0.11","169.99","0.11","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C82 H80 -","- C82 H80 -","- C328 H320 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.1004","0.0734","","","0.1966","0.2213","","","","","","1.042","","","","has coordinates","247502","2020-10-21","18:00:00",""
"4134125","18.4244","0.0005","10.1229","0.0002","42.563","0.001","90","","99.643","0.002","90","","7826.2","0.3","169.99","0.1","169.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C98 H98 Cl6 -","- C98 H98 Cl6 -","- C392 H392 Cl24 -","4","1","","Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang","Hydrocarbon Belts with Truncated Cone Structures.","Journal of the American Chemical Society","2020","142","3","1196","1199","10.1021/jacs.9b12181","","x-ray","1.54184","CuKα","","0.1845","0.1406","","","0.3849","0.4208","","","","","","1.421","","","","has coordinates,has disorder","247503","2020-10-21","18:00:00",""
"4134126","11.0308","0.0014","15.926","0.002","19.347","0.003","99.202","0.006","99.067","0.006","104.442","0.006","3179","0.8","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C136 H104 F24 N8 O20 -","- C136 H104 F24 N8 O20 -","- C136 H104 F24 N8 O20 -","1","0.5","","Liu, Wenqi; Bobbala, Sharan; Stern, Charlotte L.; Hornick, Jessica; Liu, Yugang; Enciso, Alan Enrique; Scott, Evan A.; Stoddart, J. Fraser","XCage: A Tricyclic Octacationic Receptor for Perylene Diimide with Picomolar Affinity in Water.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12982","","","1.54178","CuKα","","0.0611","0.0536","","","0.1439","0.1503","","","","","","1.033","","","","has coordinates,has disorder","247852","2020-10-21","18:00:00",""
"4134127","40.109","0.004","40.109","0.004","10.8259","0.0013","90","","90","","90","","17416","3","100","2","100","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C136 H118 F42 N16 O6 P7 -","- C136 H118 F42 N16 O6 P7 -","- C544 H472 F168 N64 O24 P28 -","4","0.5","","Liu, Wenqi; Bobbala, Sharan; Stern, Charlotte L.; Hornick, Jessica; Liu, Yugang; Enciso, Alan Enrique; Scott, Evan A.; Stoddart, J. Fraser","XCage: A Tricyclic Octacationic Receptor for Perylene Diimide with Picomolar Affinity in Water.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12982","","","1.54178","CuKα","","0.1341","0.1051","","","0.2703","0.2963","","","","","","1.142","","","","has coordinates,has disorder","247853","2020-10-21","18:00:00",""
"4134128","14.0428","0.0012","10.8941","0.0009","16.0875","0.0013","90","","113.291","0.005","90","","2260.6","0.3","100","2","100.03","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N4 -","- C32 H22 N4 -","- C128 H88 N16 -","4","1","","Liu, Wenqi; Bobbala, Sharan; Stern, Charlotte L.; Hornick, Jessica; Liu, Yugang; Enciso, Alan Enrique; Scott, Evan A.; Stoddart, J. Fraser","XCage: A Tricyclic Octacationic Receptor for Perylene Diimide with Picomolar Affinity in Water.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12982","","","1.54178","CuKα","","0.0667","0.0634","","","0.171","0.1751","","","","","","1.083","","","","has coordinates","247854","2020-10-21","18:00:00",""
"4134129","6.009","0.002","8.492","0.003","16.817","0.006","81.867","0.007","86.681","0.008","71.757","0.007","806.7","0.5","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 F12 N4 O4 P2 -","- C32 H30 F12 N4 O4 P2 -","- C32 H30 F12 N4 O4 P2 -","1","0.5","","Liu, Wenqi; Bobbala, Sharan; Stern, Charlotte L.; Hornick, Jessica; Liu, Yugang; Enciso, Alan Enrique; Scott, Evan A.; Stoddart, J. Fraser","XCage: A Tricyclic Octacationic Receptor for Perylene Diimide with Picomolar Affinity in Water.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12982","","","0.71073","MoKα","","0.1055","0.0471","","","0.0936","0.1135","","","","","","1.008","","","","has coordinates","247855","2020-10-21","18:00:00",""
"4134130","26.8848","0.0011","18.2115","0.0008","28.4594","0.0013","90","","90","","90","","13934.1","1.1","90","","90","","","","","","","","","8","P c a 21","P 2c -2ac","29","","C75H72BCl8F4N4O3Ru","","- C75 H71 B Cl8 F4 N4 O3 Ru -","- C75 H71 B Cl8 F4 N4 O3 Ru -","- C600 H568 B8 Cl64 F32 N32 O24 Ru8 -","8","2","","Zhang, Yutong; Diver, Steven T.","A Macrocyclic Ruthenium Carbene for Size-Selective Alkene Metathesis.","Journal of the American Chemical Society","2020","142","7","3371","3374","10.1021/jacs.0c00081","","","0.71073","MoKα","","0.0916","0.0687","","","0.1789","0.1981","","","","","","1.036","","","","has coordinates,has disorder","248710","2020-10-21","18:00:00",""
"4134131","27.9046","0.0008","27.1387","0.001","20.2736","0.0009","90","","92.255","0.002","90","","15341.2","1","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51.5 H48.5 Cl1.5 Hg N18 O6 -","- C51.5 H48.5 Cl1.5 Hg N18 O6 -","- C412 H388 Cl12 Hg8 N144 O48 -","8","2","","Shi, Qixun; Zhou, Xiaohong; Yuan, Wei; Su, Xiaoshi; Neniškis, Algirdas; Wei, Xin; Taujenis, Lukas; Snarskis, Gustautas; Ward, Jas S.; Rissanen, Kari; de Mendoza, Javier; Orentas, Edvinas","Selective Formation of S4- and T-Symmetric Supramolecular Tetrahedral Cages and Helicates in Polar Media Assembled via Cooperative Action of Coordination and Hydrogen-Bonds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00722","","","1.54178","CuKα","","0.1959","0.1335","","","0.3611","0.4101","","","","","","1.161","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4134132","9.1503","0.0006","5.3942","0.0003","22.8539","0.0014","90","","92.5446","0.0016","90","","1126.92","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 N8 O3 S -","- C6 H10 N8 O3 S -","- C24 H40 N32 O12 S4 -","4","1","","Huang, Wei; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Nitrogen-Rich Tetrazolo[1,5-b]pyridazine: Promising Building Block for Advanced Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00161","","","0.71073","MoKα","","0.0642","0.0439","","","0.1118","0.1228","","","","","","1.035","","","","has coordinates","247956","2020-10-21","18:00:00",""
"4134133","8.5532","0.001","9.8822","0.0011","9.8764","0.0011","90","","105.449","0.002","90","","804.63","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H2 N10 O2 -","- C4 H2 N10 O2 -","- C16 H8 N40 O8 -","4","1","","Huang, Wei; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Nitrogen-Rich Tetrazolo[1,5-b]pyridazine: Promising Building Block for Advanced Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00161","","","0.71073","MoKα","","0.1702","0.0575","","","0.0966","0.1252","","","","","","1.006","","","","has coordinates","247957","2020-10-21","18:00:00",""
"4134134","12.876","0.002","19.258","0.003","3.752","0.0007","90","","90.828","0.003","90","","930.3","0.3","296","2","296","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C4 H9 Cl N8 O2 -","- C4 H9 Cl N8 O2 -","- C16 H36 Cl4 N32 O8 -","4","1","","Huang, Wei; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Nitrogen-Rich Tetrazolo[1,5-b]pyridazine: Promising Building Block for Advanced Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00161","","","0.71073","MoKα","","0.0658","0.0417","","","0.0835","0.0928","","","","","","1.023","","","","has coordinates","247958","2020-10-21","18:00:00",""
"4134135","6.621","0.002","24.19","0.007","7.616","0.002","90","","101.177","0.01","90","","1196.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 Cl N6 Na O6 -","- C4 H12 Cl N6 Na O6 -","- C16 H48 Cl4 N24 Na4 O24 -","4","1","","Huang, Wei; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Nitrogen-Rich Tetrazolo[1,5-b]pyridazine: Promising Building Block for Advanced Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00161","","","0.71073","MoKα","","0.053","0.047","","","0.1119","0.1144","","","","","","1.133","","","","has coordinates","247959","2020-10-21","18:00:00",""
"4134136","15.0892","0.0006","21.1101","0.0006","13.0805","0.0004","90","","98.788","0.002","90","","4117.7","0.2","104","2","103.8","","","","","","","","","3","C 1 2/m 1","-C 2y","12","alpha dodecatungstochromate(III)","","","- Cr0.6 O40 W12 -","- Cr0.6 O40 W12 -","- Cr1.2 O80 W24 -","2","0.25","","Gumerova, Nadiia I.; Roller, Alexander; Giester, Gerald; Krzystek, J.; Cano, Joan; Rompel, Annette","Incorporation of Cr<sup>III</sup> into a Keggin Polyoxometalate as a Chemical Strategy to Stabilize a Labile {Cr<sup>III</sup>O<sub>4</sub>} Tetrahedral Conformation and Promote Unattended Single-Ion Magnet Properties.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12797","","x-ray","1.54178","CuKα","","0.0724","0.0666","","","0.1802","0.1857","","","","","","1.086","","","","has coordinates,has disorder","247960","2020-10-21","18:00:00",""
"4134137","38.946","0.019","22.898","0.004","46.386","0.009","90","","103.52","0.03","90","","40220","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C407.65 H443.3 Cl1.3 N24 O67 -","- C407.65 H443.3 Cl1.3 N24 O67 -","- C1630.6 H1773.2 Cl5.2 N96 O268 -","4","1","","Moshniaha, Liliia; Żyła-Karwowska, Marika; Chmielewski, Piotr J.; Lis, Tadeusz; Cybinska, Joanna; Gońka, Elżbieta; Oschwald, Johannes; Drewello, Thomas; Medina Rivero, Samara; Casado, Juan; Stępień, Marcin","Aromatic Nanosandwich Obtained by σ-Dimerization of a Nanographenoid π-Radical.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13942","","","1.54184","CuKα","","0.3053","0.1414","","","0.3047","0.4219","","","","","","1.148","","","","has coordinates,has disorder","247961","2020-10-21","18:00:00",""
"4134138","9.587","0.0002","13.1727","0.0003","16.0211","0.0003","91.788","0.002","91.228","0.001","91.613","0.002","2020.96","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","Pd(PCy3)2(OAc)2","","","- C40 H72 O4 P2 Pd -","- C40 H72 O4 P2 Pd -","- C80 H144 O8 P4 Pd2 -","2","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.0306","0.026","","","0.0641","0.0659","","","","","","1.053","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134139","10.2937","0.0003","13.7632","0.0003","17.3117","0.0004","87.089","0.002","73.891","0.002","76.606","0.002","2291.99","0.1","169.97","0.18","169.97","0.18","","","","","","","","6","P -1","-P 1","2","Pd(PCy3)2(OAc)(SO2C6H4Me)","","","- C45 H76 O4 P2 Pd S -","- C45 H76 O4 P2 Pd S -","- C90 H152 O8 P4 Pd2 S2 -","2","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.0304","0.0259","","","0.0622","0.0642","","","","","","1.053","","","","has coordinates","248712","2020-10-21","18:00:00",""
"4134140","10.0029","0.0002","29.0336","0.0008","11.5546","0.0003","90","","97.295","0.002","90","","3328.53","0.14","169.98","0.1","169.98","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Pd(PCy3)(SO2C5H3N)2","","","- C29 H43 Cl2 N2 O4 P Pd S2 -","- C29 H43 Cl2 N2 O4 P Pd S2 -","- C116 H172 Cl8 N8 O16 P4 Pd4 S8 -","4","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.0326","0.0252","","","0.0535","0.0559","","","","","","1.019","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134141","13.3684","0.0004","24.2919","0.0006","9.5064","0.0002","90","","99.501","0.002","90","","3044.8","0.14","169.99","0.1","169.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(4-F-C6H4)Pd(PCy3)(SO2C6H4Me)]2","","","- C62 H88 F2 O4 P2 Pd2 S2 -","- C62 H88 F2 O4 P2 Pd2 S2 -","- C124 H176 F4 O8 P4 Pd4 S4 -","2","0.5","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.0541","0.0408","","","0.0769","0.0802","","","","","","1.163","","","","has coordinates","248712","2020-10-21","18:00:00",""
"4134142","13.5764","0.001","24.6","0.002","9.5037","0.0006","90","","100.444","0.007","90","","3121.5","0.4","150","0.19","150","0.19","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(4-F-C6H4)Pd(PCy3)(SO2C6H4CF3)]2","","","- C62 H82 F8 O4 P2 Pd2 S2 -","- C62 H82 F8 O4 P2 Pd2 S2 -","- C124 H164 F16 O8 P4 Pd4 S4 -","2","0.5","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","1.54184","CuKα","","0.0669","0.0611","","","0.1464","0.1502","","","","","","1.071","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134143","33.707","0.002","9.0995","0.0003","27.7743","0.0018","90","","130.842","0.011","90","","6444.6","1.2","169.98","0.1","169.98","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","(4-F-C6H4)Pd(PCy3)(SO2C6H4N)","","","- C32 H48 F N O2 P Pd S -","- C32 H48 F N O2 P Pd S -","- C256 H384 F8 N8 O16 P8 Pd8 S8 -","8","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.0588","0.0386","","","0.0814","0.0886","","","","","","1.059","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134144","8.8944","0.0003","10.3439","0.0003","17.8359","0.0007","79.425","0.003","82.298","0.003","78.361","0.002","1571.88","0.1","150.01","0.12","150.01","0.12","","","","","","","","9","P -1","-P 1","2","(4-F-C6H4)Pd(PCy3)(SO2C6H3NOMe)","","","- C30.5 H44 Cl F N O3 P Pd S -","- C30.5 H44 Cl F N O3 P Pd S -","- C61 H88 Cl2 F2 N2 O6 P2 Pd2 S2 -","2","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","1.54184","CuKα","","0.0341","0.0292","","","0.0703","0.0734","","","","","","1.037","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134145","12.1932","0.0007","13.162","0.0007","13.4651","0.0008","64.568","0.005","86.354","0.005","77.968","0.005","1907.9","0.2","150.01","0.1","150.01","0.1","","","","","","","","9","P -1","-P 1","2","(4-F-C6H4)Pd(PCy3)(SO2C6H3NtBu)","","","- C68 H100 Cl6 F2 N2 O4 P2 Pd2 S2 -","- C68 H100 Cl6 F2 N2 O4 P2 Pd2 S2 -","- C68 H100 Cl6 F2 N2 O4 P2 Pd2 S2 -","1","0.5","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","1.54184","CuKα","","0.057","0.0463","","","0.1187","0.1324","","","","","","1.034","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134146","9.7818","0.0003","13.9735","0.0004","33.9579","0.0009","90","","90","","90","","4641.6","0.2","169.98","0.1","169.98","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","(4-F-C6H4)Pd(PCy3)2(SO2C6H4Me)","","","- C47.95 H75.95 Br0.15 F O1.7 P2 Pd S0.85 -","- C47.95 H75.95 Br0.15 F O1.7 P2 Pd S0.85 -","- C191.8 H303.8 Br0.6 F4 O6.8 P8 Pd4 S3.4 -","4","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.055","0.0468","","","0.0989","0.102","","","","","","1.108","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134147","9.5185","0.0006","13.3787","0.0006","14.2586","0.0008","62.876","0.005","78.221","0.005","78.401","0.004","1569.84","0.17","150.01","0.11","150.01","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C62 H88 F2 O6 P2 Pd2 S2 -","- C62 H88 F2 O6 P2 Pd2 S2 -","- C62 H88 F2 O6 P2 Pd2 S2 -","1","0.5","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","1.54184","CuKα","","0.0851","0.0685","","","0.1942","0.2221","","","","","","1.055","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134148","10.5859","0.0001","20.2148","0.0002","28.1308","0.0003","90","","95.53","0.001","90","","5991.75","0.1","150","0.13","150","0.13","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 F4 N O2 P Pd S -","- C30 H40 F4 N O2 P Pd S -","- C240 H320 F32 N8 O16 P8 Pd8 S8 -","8","2","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","1.54184","CuKα","","0.0315","0.0275","","","0.0663","0.0687","","","","","","1.051","","","","has coordinates","248712","2020-10-21","18:00:00",""
"4134149","11.2702","0.0007","11.8317","0.0007","12.8794","0.001","100.208","0.003","90.767","0.003","110.714","0.003","1575.56","0.19","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H90 N6 O4 Ru -","- C72 H90 N6 O4 Ru -","- C72 H90 N6 O4 Ru -","1","0.5","","Dunn, Peter L.; Johnson, Samantha I.; Kaminsky, Werner; Bullock, R. Morris","Diversion of Catalytic C-N Bond Formation to Catalytic Oxidation of NH<sub>3</sub> through Modification of the Hydrogen Atom Abstractor.","Journal of the American Chemical Society","2020","142","7","3361","3365","10.1021/jacs.9b13706","","x-ray","0.71073","MoKα","","0.0876","0.0643","","","0.1407","0.1521","","","","","","1.027","","","","has coordinates,has disorder","248711","2020-10-21","18:00:00",""
"4134150","9.6158","0.0009","10.5411","0.001","13.8499","0.0014","99.752","0.003","106.021","0.004","98.98","0.004","1299","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H36 O -","- C33 H36 O -","- C66 H72 O2 -","2","1","","Dunn, Peter L.; Johnson, Samantha I.; Kaminsky, Werner; Bullock, R. Morris","Diversion of Catalytic C-N Bond Formation to Catalytic Oxidation of NH<sub>3</sub> through Modification of the Hydrogen Atom Abstractor.","Journal of the American Chemical Society","2020","142","7","3361","3365","10.1021/jacs.9b13706","","","0.71073","MoKα","","0.0666","0.0521","","","0.132","0.1433","","","","","","1.031","","","","has coordinates","248711","2020-10-21","18:00:00",""
"4134151","9.8007","0.0008","15.2538","0.001","18.072","0.0012","90","","90.781","0.003","90","","2701.5","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H73 N O2 -","- C68 H73 N O2 -","- C136 H146 N2 O4 -","2","1","","Dunn, Peter L.; Johnson, Samantha I.; Kaminsky, Werner; Bullock, R. Morris","Diversion of Catalytic C-N Bond Formation to Catalytic Oxidation of NH<sub>3</sub> through Modification of the Hydrogen Atom Abstractor.","Journal of the American Chemical Society","2020","142","7","3361","3365","10.1021/jacs.9b13706","","","0.71073","MoKα","","0.0592","0.0501","","","0.12","0.1263","","","","","","1.016","","","","has coordinates","248711","2020-10-21","18:00:00",""
"4134152","9.9018","0.0003","9.3208","0.0003","10.9888","0.0004","90","","98.357","0.003","90","","1003.42","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H21 N -","- C29 H21 N -","- C58 H42 N2 -","2","1","","Wang, Ze-Shu; Chen, Yang-Bo; Zhang, Hao-Wen; Sun, Zhou; Zhu, Chunyin; Ye, Long-Wu","Ynamide Smiles Rearrangement Triggered by Visible-Light-Mediated Regioselective Ketyl-Ynamide Coupling: Rapid Access to Functionalized Indoles and Isoquinolines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13975","","x-ray","1.54184","CuKα","","0.062","0.0503","","","0.1748","0.1867","","","","","","1.271","","","","has coordinates","247999","2020-10-21","18:00:00",""
"4134153","7.3665","0.0003","11.7506","0.0005","24.4058","0.0009","90","","93.813","0.004","90","","2107.91","0.15","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Br N -","- C28 H20 Br N -","- C112 H80 Br4 N4 -","4","1","","Wang, Ze-Shu; Chen, Yang-Bo; Zhang, Hao-Wen; Sun, Zhou; Zhu, Chunyin; Ye, Long-Wu","Ynamide Smiles Rearrangement Triggered by Visible-Light-Mediated Regioselective Ketyl-Ynamide Coupling: Rapid Access to Functionalized Indoles and Isoquinolines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13975","","x-ray","0.71073","MoKα","","0.0593","0.044","","","0.0951","0.1056","","","","","","1.033","","","","has coordinates","248000","2020-10-21","18:00:00",""
"4134154","13.359","0.0002","9.3701","0.0002","17.1113","0.0003","90","","90","","90","","2141.91","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C29 H20 F3 N -","- C29 H20 F3 N -","- C116 H80 F12 N4 -","4","1","","Wang, Ze-Shu; Chen, Yang-Bo; Zhang, Hao-Wen; Sun, Zhou; Zhu, Chunyin; Ye, Long-Wu","Ynamide Smiles Rearrangement Triggered by Visible-Light-Mediated Regioselective Ketyl-Ynamide Coupling: Rapid Access to Functionalized Indoles and Isoquinolines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13975","","x-ray","1.54184","CuKα","","0.0443","0.043","","","0.114","0.1165","","","","","","1.055","","","","has coordinates","248001","2020-10-21","18:00:00",""
"4134155","8.52164","0.0001","18.4767","0.0002","12.06929","0.00012","90","","95.2464","0.001","90","","1892.37","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 N -","- C29 H19 N -","- C116 H76 N4 -","4","1","","Wang, Ze-Shu; Chen, Yang-Bo; Zhang, Hao-Wen; Sun, Zhou; Zhu, Chunyin; Ye, Long-Wu","Ynamide Smiles Rearrangement Triggered by Visible-Light-Mediated Regioselective Ketyl-Ynamide Coupling: Rapid Access to Functionalized Indoles and Isoquinolines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13975","","x-ray","1.54184","CuKα","","0.0498","0.0429","","","0.1131","0.1221","","","","","","1.076","","","","has coordinates","248002","2020-10-21","18:00:00",""
"4134156","9.248","0.002","10.033","0.002","21.131","0.005","90","","92.615","0.005","90","","1958.6","0.7","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 N -","- C28 H23 N -","- C112 H92 N4 -","4","1","","Wang, Ze-Shu; Chen, Yang-Bo; Zhang, Hao-Wen; Sun, Zhou; Zhu, Chunyin; Ye, Long-Wu","Ynamide Smiles Rearrangement Triggered by Visible-Light-Mediated Regioselective Ketyl-Ynamide Coupling: Rapid Access to Functionalized Indoles and Isoquinolines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13975","","","0.71073","MoKα","","0.1354","0.0837","","","0.1809","0.2072","","","","","","1.091","","","","has coordinates","248003","2020-10-21","18:00:00",""
"4134157","17.1558","0.0004","5.6825","0.00013","18.9738","0.0004","90","","101.778","0.002","90","","1810.77","0.07","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N -","- C27 H19 N -","- C108 H76 N4 -","4","1","","Wang, Ze-Shu; Chen, Yang-Bo; Zhang, Hao-Wen; Sun, Zhou; Zhu, Chunyin; Ye, Long-Wu","Ynamide Smiles Rearrangement Triggered by Visible-Light-Mediated Regioselective Ketyl-Ynamide Coupling: Rapid Access to Functionalized Indoles and Isoquinolines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13975","","x-ray","1.54184","CuKα","","0.0558","0.0463","","","0.1128","0.1267","","","","","","1.07","","","","has coordinates","248004","2020-10-21","18:00:00",""
"4134158","9.1204","0.0018","18.592","0.004","11.379","0.002","90","","108.39","0.003","90","","1831","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Wang, Ze-Shu; Chen, Yang-Bo; Zhang, Hao-Wen; Sun, Zhou; Zhu, Chunyin; Ye, Long-Wu","Ynamide Smiles Rearrangement Triggered by Visible-Light-Mediated Regioselective Ketyl-Ynamide Coupling: Rapid Access to Functionalized Indoles and Isoquinolines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13975","","","0.71073","MoKα","","0.0686","0.0591","","","0.1255","0.1299","","","","","","1.161","","","","has coordinates","248005","2020-10-21","18:00:00",""
"4134159","25.574","0.005","27.719","0.006","29.313","0.006","90","","108.43","0.03","90","","19714","8","153","2","153","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H133 F12 N2 O12 P2 -","- C102 H133 F12 N2 O12 P2 -","- C816 H1064 F96 N16 O96 P16 -","8","1","","Jia, Fei; Schröder, Hendrik V; Yang, Liu-Pan; von Essen, Carolina; Sobottka, Sebastian; Sarkar, Biprajit; Rissanen, Kari; Jiang, Wei; Schalley, Christoph A.","Redox-Responsive Host-Guest Chemistry of a Flexible Cage with Naphthalene Walls.","Journal of the American Chemical Society","2020","142","7","3306","3310","10.1021/jacs.9b11685","","","0.71073","MoKα","","0.1368","0.077","","","0.1705","0.2076","","","","","","1.02","","","","has coordinates","248709","2020-10-21","18:00:00",""
"4134160","15.8749","0.0006","16.2805","0.0006","18.0681","0.0006","90","","90","","90","","4669.7","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","ZIF-UC-3","Zn(Im)1.81(ClmbIm)0.19","","- C16.22 H18.58 Cl0.38 N8.78 O0.78 Zn2 -","- C16.215 H17.46 Cl0.375 N8.78 O0.78 Zn2 -","- C129.72 H139.68 Cl3 N70.24 O6.24 Zn16 -","8","1","","Hou, Jingwei; Rios, Laura; Krajnc, Andraž; McCaul, Aoife; Li, Shichun; Bumstead, Alice; Sapnik, Adam; Deng, Zeyu; Lin, Rijia; Chater, Philip A.; Keeble, Dean S.; Keen, David A.; Appadoo, Dominique; Chan, Bun; Chen, Vicki; Mali, Gregor; Bennett, Thomas D.","Halogenated Metal-Organic Framework Glasses and Liquids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11639","","","1.54184","CuKα","","0.1257","0.0968","","","0.295","0.3257","","","","","","1.205","","","","has coordinates,has disorder","248049","2020-10-21","18:00:00",""
"4134161","15.556","0.0005","15.6538","0.0005","18.0875","0.0006","90","","90","","90","","4404.5","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","ZIF-UC-2","Zn(Im)1.87(ClFbIm)0.13","","- C13.04 H12 Cl0.26 F0.26 N8 Zn2 -","- C13.04 H12 Cl0.26 F0.26 N8 Zn2 -","- C104.32 H96 Cl2.08 F2.08 N64 Zn16 -","8","1","","Hou, Jingwei; Rios, Laura; Krajnc, Andraž; McCaul, Aoife; Li, Shichun; Bumstead, Alice; Sapnik, Adam; Deng, Zeyu; Lin, Rijia; Chater, Philip A.; Keeble, Dean S.; Keen, David A.; Appadoo, Dominique; Chan, Bun; Chen, Vicki; Mali, Gregor; Bennett, Thomas D.","Halogenated Metal-Organic Framework Glasses and Liquids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11639","","","1.54184","CuKα","","0.0535","0.0459","","","0.1408","0.1511","","","","","","1.074","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"4134162","15.697","0.0008","15.9694","0.001","17.9282","0.0016","90","","90","","90","","4494.1","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","ZIF-UC-4","Zn(Im)1.66(FbIm)0.34","","- C14.73 H12 F0.68 N8 Zn2 -","- C14.728 H12.682 F0.682 N8 Zn2 -","- C117.824 H101.456 F5.456 N64 Zn16 -","8","1","","Hou, Jingwei; Rios, Laura; Krajnc, Andraž; McCaul, Aoife; Li, Shichun; Bumstead, Alice; Sapnik, Adam; Deng, Zeyu; Lin, Rijia; Chater, Philip A.; Keeble, Dean S.; Keen, David A.; Appadoo, Dominique; Chan, Bun; Chen, Vicki; Mali, Gregor; Bennett, Thomas D.","Halogenated Metal-Organic Framework Glasses and Liquids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11639","","x-ray","1.54184","CuKα","","0.1017","0.0663","","","0.1901","0.2174","","","","","","1.065","","","","has coordinates,has disorder","248051","2020-10-21","18:00:00",""
"4134163","15.726","0.0008","16.0184","0.0011","18.1617","0.001","90","","90","","90","","4575","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","ZIF-UC-5","Zn(Im)1.72(ClbIm)0.28","","- C15.44 H14.73 Cl0.57 N8.39 O0.39 Zn2 -","- C15.439 H15.291 Cl0.568 N8.389 O0.389 Zn2 -","- C123.512 H122.328 Cl4.544 N67.112 O3.112 Zn16 -","8","1","","Hou, Jingwei; Rios, Laura; Krajnc, Andraž; McCaul, Aoife; Li, Shichun; Bumstead, Alice; Sapnik, Adam; Deng, Zeyu; Lin, Rijia; Chater, Philip A.; Keeble, Dean S.; Keen, David A.; Appadoo, Dominique; Chan, Bun; Chen, Vicki; Mali, Gregor; Bennett, Thomas D.","Halogenated Metal-Organic Framework Glasses and Liquids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11639","","","1.54184","CuKα","","0.0872","0.0646","","","0.1888","0.2107","","","","","","1.103","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"4134164","10.0903","0.0005","16.1879","0.0007","14.6275","0.0006","90","","90","","90","","2389.27","0.19","90","2","90","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H34 Co N7 O2 -","- C18 H34 Co N7 O2 -","- C72 H136 Co4 N28 O8 -","4","0.5","","Wang, Junhao; Zakrzewski, Jakub J.; Heczko, Michal; Zychowicz, Mikolaj; Nakagawa, Kosuke; Nakabayashi, Koji; Sieklucka, Barbara; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Proton Conductive Luminescent Thermometer Based on Near-Infrared Emissive {YbCo<sub>2</sub>} Molecular Nanomagnets.","Journal of the American Chemical Society","2020","142","8","3970","3979","10.1021/jacs.9b13147","","x-ray","0.71075","MoKα","","0.1824","0.1617","","","0.2585","0.2664","","","","","","1.417","","","","has coordinates,has disorder","248703","2020-10-21","18:00:00",""
"4134165","12.7427","0.001","12.7427","0.001","19.2613","0.0007","90","","90","","90","","3127.6","0.4","90","2","90","2","","","","","","","","7","I 4/m m m","-I 4 2","139","","","","- C36 H83 Co2 N24 O8 P4 Yb -","- C36 H83 Co2 N24 O8 P4 Yb -","- C72 H166 Co4 N48 O16 P8 Yb2 -","2","0.0625","","Wang, Junhao; Zakrzewski, Jakub J.; Heczko, Michal; Zychowicz, Mikolaj; Nakagawa, Kosuke; Nakabayashi, Koji; Sieklucka, Barbara; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Proton Conductive Luminescent Thermometer Based on Near-Infrared Emissive {YbCo<sub>2</sub>} Molecular Nanomagnets.","Journal of the American Chemical Society","2020","142","8","3970","3979","10.1021/jacs.9b13147","","x-ray","0.71075","MoKα","","0.0678","0.0672","","","0.1696","0.1704","","","","","","1.098","","","","has coordinates,has disorder","248703","2020-10-21","18:00:00",""
"4134166","9.9436","0.0003","10.0616","0.0003","33.1823","0.001","90","","94.971","0.001","90","","3307.35","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H32 B2 N2 O2 -","- C23 H32 B2 N2 O2 -","- C138 H192 B12 N12 O12 -","6","3","","Viereck, Peter; Krautwald, Simon; Pabst, Tyler P.; Chirik, Paul J.","A Boron Activating Effect Enables Cobalt-Catalyzed Asymmetric Hydrogenation of Sterically Hindered Alkenes.","Journal of the American Chemical Society","2020","142","8","3923","3930","10.1021/jacs.9b12214","","","1.54178","CuKα","","0.0483","0.0461","","","0.1253","0.1281","","","","","","1.123","","","","has coordinates","248705","2020-10-21","18:00:00",""
"4134167","12.8184","0.0005","14.4126","0.0006","13.8468","0.0005","90","","98.915","0.001","90","","2527.24","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H31 B3 N4 O2 -","- C28 H31 B3 N4 O2 -","- C112 H124 B12 N16 O8 -","4","2","","Viereck, Peter; Krautwald, Simon; Pabst, Tyler P.; Chirik, Paul J.","A Boron Activating Effect Enables Cobalt-Catalyzed Asymmetric Hydrogenation of Sterically Hindered Alkenes.","Journal of the American Chemical Society","2020","142","8","3923","3930","10.1021/jacs.9b12214","","","1.54178","CuKα","","0.0467","0.0464","","","0.1247","0.1251","","","","","","1.038","","","","has coordinates","248705","2020-10-21","18:00:00",""
"4134168","13.6508","0.0005","6.5437","0.0002","16.043","0.0005","90","","96.376","0.003","90","","1424.2","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 B O2 -","- C16 H21 B O2 -","- C64 H84 B4 O8 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0681","0.0504","","","0.1082","0.1172","","","","","","1.031","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134169","16.4821","0.0011","11.7361","0.0007","12.1569","0.0007","90","","110.168","0.007","90","","2207.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 B2 O4 -","- C22 H32 B2 O4 -","- C88 H128 B8 O16 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0936","0.0713","","","0.1815","0.1906","","","","","","0.99","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134170","12.6555","0.0004","11.109","0.0004","9.1227","0.0004","90","","98.759","0.004","90","","1267.6","0.08","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 F3 -","- C17 H13 F3 -","- C68 H52 F12 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0629","0.0464","","","0.0975","0.1063","","","","","","1.063","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134171","6.0297","0.0002","17.3499","0.0005","18.4258","0.0007","69.193","0.003","84.17","0.003","86.052","0.003","1791.46","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C96 H78 N6 O12 -","6","3","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.1","0.0576","","","0.1145","0.1306","","","","","","1.013","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134172","6.1082","0.0002","7.4449","0.0002","13.477","0.0005","90","","94.885","0.003","90","","610.64","0.03","150","0.14","150","0.14","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O -","- C17 H16 O -","- C34 H32 O2 -","2","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0518","0.0425","","","0.0871","0.0907","","","","","","1.026","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134173","14.0151","0.0005","6.2442","0.0002","24.7473","0.0008","90","","101.462","0.004","90","","2122.52","0.13","150","2","150","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C14 H12 S -","- C14 H12 S -","- C112 H96 S8 -","8","2","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0478","0.0397","","","0.0832","0.087","","","","","","1.028","","","","has coordinates,has disorder","248706","2020-10-21","18:00:00",""
"4134174","9.8589","0.0007","7.7089","0.0005","48.243","0.003","90","","90","","90","","3666.5","0.4","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 F6 -","- C24 H16 F6 -","- C192 H128 F48 -","8","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.1475","0.0879","","","0.1446","0.1673","","","","","","1.11","","","","has coordinates,has disorder","248706","2020-10-21","18:00:00",""
"4134175","10.598","0.0004","11.569","0.0005","14.0558","0.0006","90","","91.353","0.004","90","","1722.88","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O4 -","- C22 H16 N2 O4 -","- C88 H64 N8 O16 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.1072","0.0557","","","0.0943","0.1125","","","","","","1.007","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134176","5.9688","0.0003","9.4191","0.0005","12.889","0.0006","109.12","0.005","92.769","0.004","96.001","0.004","678.27","0.06","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 N4 -","- C18 H14 N4 -","- C36 H28 N8 -","2","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0741","0.0473","","","0.0912","0.1007","","","","","","1.039","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134177","11.54","0.003","23.458","0.005","6.0948","0.0011","90","","92.458","0.018","90","","1648.4","0.6","150","0.14","150","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 F3 -","- C23 H17 F3 -","- C92 H68 F12 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.2016","0.1052","","","0.2526","0.3094","","","","","","1.027","","","","has coordinates,has disorder","248706","2020-10-21","18:00:00",""
"4134178","6.0199","0.0005","10.2544","0.0008","13.5415","0.001","77.465","0.006","79.509","0.006","86.865","0.006","802.26","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 F3 N2 -","- C21 H15 F3 N2 -","- C42 H30 F6 N4 -","2","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.1036","0.0587","","","0.0964","0.1117","","","","","","1.049","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134179","14.6017","0.001","10.0834","0.0007","13.3292","0.0008","90","","90.884","0.007","90","","1962.3","0.2","149.9","0.2","149.9","0.2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C28 H22 -","- C28 H22 -","- C112 H88 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0885","0.0554","","","0.0967","0.1102","","","","","","1.017","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134180","12.0859","0.0008","14.622","0.0008","11.3077","0.0007","90","","90","","90","","1998.3","0.2","150.1","0.2","150.1","0.2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 -","- C13 H12 N2 -","- C104 H96 N16 -","8","2","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0753","0.0525","","","0.0929","0.1027","","","","","","1.031","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134181","5.9975","0.0003","10.0967","0.0005","13.1405","0.0008","108.776","0.005","90.715","0.005","96.917","0.004","746.78","0.07","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","","","- C22 H18 -","- C22 H18 -","- C44 H36 -","2","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0547","0.0445","","","0.1004","0.1066","","","","","","1.04","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134182","10.8015","0.0002","17.679","0.0003","19.6851","0.0014","90","","90","","90","","3759.1","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H34 Au Cl O5 P2 -","- C41 H34 Au Cl O5 P2 -","- C164 H136 Au4 Cl4 O20 P8 -","4","1","","Zhang, Zhenhao; Smal, Vitalii; Retailleau, Pascal; Voituriez, Arnaud; Frison, Gilles; Marinetti, Angela; Guinchard, Xavier","Tethered Counterion-Directed Catalysis: Merging the Chiral Ion-Pairing and Bifunctional Ligand Strategies in Enantioselective Gold(I) Catalysis.","Journal of the American Chemical Society","2020","142","8","3797","3805","10.1021/jacs.9b11154","","","1.54187","CuKα","","0.0386","0.0362","","","0.0839","0.0869","","","","","","1.082","","","","has coordinates","248702","2020-10-21","18:00:00",""
"4134183","11.26267","0.00018","19.0781","0.0004","31.7278","0.0006","90","","90","","90","","6817.4","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H25 Au Cl2 O3 P2 -","- C38 H25 Au Cl2 O3 P2 -","- C304 H200 Au8 Cl16 O24 P16 -","8","2","","Zhang, Zhenhao; Smal, Vitalii; Retailleau, Pascal; Voituriez, Arnaud; Frison, Gilles; Marinetti, Angela; Guinchard, Xavier","Tethered Counterion-Directed Catalysis: Merging the Chiral Ion-Pairing and Bifunctional Ligand Strategies in Enantioselective Gold(I) Catalysis.","Journal of the American Chemical Society","2020","142","8","3797","3805","10.1021/jacs.9b11154","","x-ray","0.71073","MoKα","","0.0661","0.0437","","","0.0874","0.0927","","","","","","1.045","","","","has coordinates","248702","2020-10-21","18:00:00",""
"4134184","6.6896","0.0003","8.6995","0.0003","28.863","0.002","90","","90","","90","","1679.72","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Zhang, Zhenhao; Smal, Vitalii; Retailleau, Pascal; Voituriez, Arnaud; Frison, Gilles; Marinetti, Angela; Guinchard, Xavier","Tethered Counterion-Directed Catalysis: Merging the Chiral Ion-Pairing and Bifunctional Ligand Strategies in Enantioselective Gold(I) Catalysis.","Journal of the American Chemical Society","2020","142","8","3797","3805","10.1021/jacs.9b11154","","","1.54187","CuKα","","0.0326","0.0297","","","0.0747","0.0789","","","","","","1.075","","","","has coordinates","248702","2020-10-21","18:00:00",""
"4134185","8.2617","0.0002","10.119","0.0003","19.4887","0.0005","90","","90","","90","","1629.26","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","1.54184","CuKα","","0.0404","0.0372","","","0.0967","0.1003","","","","","","1.026","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134186","10.8561","0.0001","10.8561","0.0001","41.1767","0.0006","90","","90","","90","","4852.88","0.09","179.99","0.1","179.99","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C25 H36 O6 Si -","- C25 H36 O6 Si -","- C200 H288 O48 Si8 -","8","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0359","0.0334","","","0.0873","0.0888","","","","","","1.017","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134187","10.2109","0.0002","13.271","0.0002","14.7561","0.0002","90","","90","","90","","1999.58","0.06","180","0.2","180","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 Br O5 -","- C22 H27 Br O5 -","- C88 H108 Br4 O20 -","4","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0294","0.0266","","","0.0682","0.0696","","","","","","1.05","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134188","13.6338","0.0005","11.3956","0.0003","16.6242","0.0005","90","","110.443","0.004","90","","2420.16","0.15","180","0.1","180","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 O9 -","- C26 H38 O9 -","- C104 H152 O36 -","4","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0608","0.045","","","0.1075","0.114","","","","","","1.041","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134189","7.2201","0.0003","16.362","0.0009","34.0093","0.0018","90","","90","","90","","4017.7","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O5 -","- C22 H28 O5 -","- C176 H224 O40 -","8","2","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","1.54184","CuKα","","0.072","0.0421","","","0.0857","0.093","","","","","","1.052","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134190","7.0005","0.0003","7.3078","0.0003","10.9418","0.0003","71.334","0.003","87.561","0.003","84.38","0.003","527.73","0.04","179.99","0.1","179.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C23 H37 N O5 -","- C23 H37 N O5 -","- C23 H37 N O5 -","1","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0308","0.0291","","","0.0806","0.0823","","","","","","1.056","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134191","14.1237","0.0003","12.3532","0.0003","20.8073","0.0004","90","","90","","90","","3630.31","0.14","180","0.1","180","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H28 O5 -","- C22 H28 O5 -","- C176 H224 O40 -","8","2","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","1.54184","CuKα","","0.0481","0.0417","","","0.1121","0.1188","","","","","","1.029","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134192","13.5823","0.0002","10.5419","0.0002","19.9707","0.0003","90","","91.607","0.002","90","","2858.35","0.08","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 O5 Si2 -","- C28 H44 O5 Si2 -","- C112 H176 O20 Si8 -","4","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0458","0.0383","","","0.1015","0.1058","","","","","","1.015","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134193","12.7153","0.0003","8.016","0.0002","14.8477","0.0004","90","","105.261","0.002","90","","1460","0.07","180","0.1","180","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H18 Br2 O3 -","- C14 H18 Br2 O3 -","- C56 H72 Br8 O12 -","4","2","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.042","0.0362","","","0.0774","0.0793","","","","","","1.015","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134194","8.4588","0.0011","14.545","0.002","20.429","0.003","90","","90","","90","","2513.4","0.6","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N O2 S -","- C30 H27 N O2 S -","- C120 H108 N4 O8 S4 -","4","1","","Kondoh, Azusa; Ishikawa, Sho; Terada, Masahiro","Development of Chiral Ureates as Chiral Strong Brønsted Base Catalysts.","Journal of the American Chemical Society","2020","142","8","3724","3728","10.1021/jacs.9b13922","","","0.71075","MoKα","","0.0492","0.0405","","","0.0918","0.0967","","","","","","1.046","","","","has coordinates","248707","2020-10-21","18:00:00",""
"4134195","8.6108","0.0009","16.6846","0.0017","17.8727","0.0019","90","","90","","90","","2567.7","0.5","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O3 S -","- C27 H30 N2 O3 S -","- C108 H120 N8 O12 S4 -","4","1","","Kondoh, Azusa; Ishikawa, Sho; Terada, Masahiro","Development of Chiral Ureates as Chiral Strong Brønsted Base Catalysts.","Journal of the American Chemical Society","2020","142","8","3724","3728","10.1021/jacs.9b13922","","","0.71075","MoKα","","0.0449","0.0388","","","0.0886","0.0914","","","","","","1.07","","","","has coordinates","248707","2020-10-21","18:00:00",""
"4134196","8.4797","0.0014","9.7632","0.0017","13.361","0.002","90","","101.819","0.007","90","","1082.7","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 N O5 S2 -","- C23 H23 N O5 S2 -","- C46 H46 N2 O10 S4 -","2","1","","Kondoh, Azusa; Ishikawa, Sho; Terada, Masahiro","Development of Chiral Ureates as Chiral Strong Brønsted Base Catalysts.","Journal of the American Chemical Society","2020","142","8","3724","3728","10.1021/jacs.9b13922","","","0.71075","MoKα","","0.0431","0.0421","","","0.1074","0.1084","","","","","","1.034","","","","has coordinates","248707","2020-10-21","18:00:00",""
"4134197","11.04683","0.00014","9.43212","0.00012","16.266","0.0002","90","","96.9247","0.0012","90","","1682.47","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H45 N O9 -","- C37 H45 N O9 -","- C74 H90 N2 O18 -","2","1","","Mayfield, Andrew B.; Metternich, Jan B.; Trotta, Adam H.; Jacobsen, Eric N.","Stereospecific Furanosylations Catalyzed by Bis-thiourea Hydrogen-Bond Donors.","Journal of the American Chemical Society","2020","142","8","4061","4069","10.1021/jacs.0c00335","","","1.54178","CuKα","","0.0352","0.0341","","","0.0905","0.0913","","","","","","1.069","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4134198","52.0158","0.0016","8.9727","0.0003","8.9745","0.0003","90","","90","","90","","4188.6","0.2","298","2","298.01","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C48 H160 I40 N16 Pb12 -","4","0.5","","Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad","Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.","Journal of the American Chemical Society","2020","142","8","4008","4021","10.1021/jacs.9b13587","","","0.71073","MoKα","","0.0599","0.0444","","","0.1257","0.1425","","","","","","1.077","","","","has coordinates","248701","2020-10-21","18:00:00",""
"4134199","52.169","0.006","8.9731","0.0006","8.9417","0.0011","90","","90.073","0.009","90","","4185.8","0.8","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C48 H160 I40 N16 Pb12 -","4","1","","Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad","Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.","Journal of the American Chemical Society","2020","142","8","4008","4021","10.1021/jacs.9b13587","","x-ray","0.71073","MoKα","","0.0851","0.0778","","","0.087","0.0872","","","","4.89","4.89","4.59","","","","has coordinates","248701","2020-10-21","18:00:00",""
"4134200","52.424","0.01","8.9841","0.0018","8.9429","0.0018","90","","90.15","0.03","90","","4211.9","1.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H36 I10 N4 Pb3 -","- C10 H36 I10 N4 Pb3 -","- C40 H144 I40 N16 Pb12 -","4","1","","Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad","Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.","Journal of the American Chemical Society","2020","142","8","4008","4021","10.1021/jacs.9b13587","","","0.71073","MoKα","","0.1587","0.0862","","","0.227","0.3164","","","","","","0.993","","","","has coordinates","248701","2020-10-21","18:00:00",""
"4134201","52.209","0.006","8.9061","0.0006","8.94","0.0011","90","","90.002","0.009","90","","4156.9","0.8","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H36 I10 N4 Pb3 -","- C10 H36 I10 N4 Pb3 -","- C40 H144 I40 N16 Pb12 -","4","1","","Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad","Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.","Journal of the American Chemical Society","2020","142","8","4008","4021","10.1021/jacs.9b13587","","x-ray","0.71073","MoKα","","0.1597","0.1086","","","0.1095","0.1127","","","","5.38","5.38","4.78","","","","has coordinates","248701","2020-10-21","18:00:00",""
"4134202","9.4761","0.0005","25.927","0.0009","25.4632","0.0009","90","","97.891","0.004","90","","6196.7","0.5","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C68 H14 Cl4 Cu2 F30 N6 O2 -","- C68 H14 Cl4 Cu2 F30 N6 O2 -","- C272 H56 Cl16 Cu8 F120 N24 O8 -","4","0.5","","Shimomura, Keito; Kai, Hiroto; Nakamura, Yuma; Hong, Yongseok; Mori, Shigeki; Miki, Koji; Ohe, Kouichi; Notsuka, Yusuke; Yamaoka, Yoshihisa; Ishida, Masatoshi; Kim, Dongho; Furuta, Hiroyuki","Bis-Metal Complexes of Doubly N-Confused Dioxohexaphyrins as Potential Near Infrared-II Photoacoustic Dyes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13475","","","0.71075","MoKα","","0.1302","0.0986","","","0.2325","0.2485","","","","","","1.157","","","","has coordinates,has disorder","248294","2020-10-21","18:00:00",""
"4134203","25.2251","0.0014","25.2251","0.0014","32.2322","0.001","90","","90","","90","","20509.5","1.7","100","2","100","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C88 H85 F20 N10 O6.5 Si2 -","- C88 H85 F20 N10 O6.5 Si2 -","- C704 H680 F160 N80 O52 Si16 -","8","0.5","","Shimomura, Keito; Kai, Hiroto; Nakamura, Yuma; Hong, Yongseok; Mori, Shigeki; Miki, Koji; Ohe, Kouichi; Notsuka, Yusuke; Yamaoka, Yoshihisa; Ishida, Masatoshi; Kim, Dongho; Furuta, Hiroyuki","Bis-Metal Complexes of Doubly N-Confused Dioxohexaphyrins as Potential Near Infrared-II Photoacoustic Dyes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13475","","","1.54187","CuKα","","0.1151","0.0922","","","0.2069","0.2173","","","","","","1.227","","","","has coordinates,has disorder","248295","2020-10-21","18:00:00",""
"4134204","7.8292","0.0003","11.0341","0.0004","12.7149","0.0006","90","","100.843","0.001","90","","1078.81","0.08","109","2","109","2","","","","","","","","5","P 1 21 1","P 2yb","4","ARM-PS017","","","- C26 H24 B K O2 -","- C26 H24 B K O2 -","- C52 H48 B2 K2 O4 -","2","1","","Music, Arif; Baumann, Andreas Nicolas; Spie Szlig, Philipp; Plantefol, Allan; Jagau, Thomas-C; Didier, Dorian","Electrochemical Synthesis of Biaryls via Oxidative Intramolecular Coupling of Tetra(hetero)arylborates.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12300","","","0.71073","MoKα","","0.0366","0.0312","","","0.0714","0.0746","","","","","","1.04","","","","has coordinates","248325","2020-10-21","18:00:00",""
"4134205","9.8924","0.0004","10.0377","0.0004","11.5787","0.0004","82.567","0.001","81.296","0.001","88.212","0.001","1126.86","0.07","102","2","102","2","","","","","","","","6","P -1","-P 1","2","ARM518","","","- C26 H21.56 B F3 K O1.28 -","- C26 H21 B F3 K O1.282 -","- C52 H42 B2 F6 K2 O2.564 -","2","1","","Music, Arif; Baumann, Andreas Nicolas; Spie Szlig, Philipp; Plantefol, Allan; Jagau, Thomas-C; Didier, Dorian","Electrochemical Synthesis of Biaryls via Oxidative Intramolecular Coupling of Tetra(hetero)arylborates.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12300","","","0.71073","MoKα","","0.0661","0.0566","","","0.1425","0.1499","","","","","","1.054","","","","has coordinates","248326","2020-10-21","18:00:00",""
"4134206","58.143","0.002","11.9245","0.0005","15.4738","0.0007","90","","102.308","0.003","90","","10481.8","0.7","100","2","100.02","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H47.67 B3 F12 N6 O1.33 -","- C48 H47.6666 B3 F12 N6 O1.3333 -","- C384 H381.333 B24 F96 N48 O10.6664 -","8","1","","Guo, Qing-Hui; Jia, Manping; Liu, Zhichang; Qiu, Yunyan; Chen, Hongliang; Shen, Dengke; Zhang, Xuan; Tu, Qing; Ryder, Matthew R.; Chen, Haoyuan; Li, Peng; Xu, Yaobin; Li, Penghao; Chen, Zhijie; Shekhawat, Gajendra S.; Dravid, Vinayak P.; Snurr, Randall Q.; Philp, Douglas; Sue, Andrew C.-H.; Farha, Omar K.; Rolandi, Marco; Stoddart, J. Fraser","Single-Crystal Polycationic Polymers Obtained by Single-Crystal-to-Single-Crystal Photopolymerization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13790","","","1.54178","CuKα","","0.119","0.1079","","","0.2933","0.3034","","","","","","1.073","","","","has coordinates,has disorder","248327","2020-10-21","18:00:00",""
"4134207","57.8973","0.0016","11.8809","0.0003","15.7534","0.0004","90","","103.731","0.002","90","","10526.6","0.5","100","2","100.04","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H90 B6 F24 N12 O3 -","- C96 H90 B6 F24 N12 O3 -","- C384 H360 B24 F96 N48 O12 -","4","0.5","","Guo, Qing-Hui; Jia, Manping; Liu, Zhichang; Qiu, Yunyan; Chen, Hongliang; Shen, Dengke; Zhang, Xuan; Tu, Qing; Ryder, Matthew R.; Chen, Haoyuan; Li, Peng; Xu, Yaobin; Li, Penghao; Chen, Zhijie; Shekhawat, Gajendra S.; Dravid, Vinayak P.; Snurr, Randall Q.; Philp, Douglas; Sue, Andrew C.-H.; Farha, Omar K.; Rolandi, Marco; Stoddart, J. Fraser","Single-Crystal Polycationic Polymers Obtained by Single-Crystal-to-Single-Crystal Photopolymerization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13790","","x-ray","1.54178","CuKα","","0.165","0.1469","","","0.4258","0.4541","","","","","","1.96","","","","has coordinates,has disorder","248328","2020-10-21","18:00:00",""
"4134208","57.282","0.007","11.7334","0.0015","16.2714","0.0018","90","","104.674","0.007","90","","10580","2","102","2","101.93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H45 B3 F12 N6 O -","- C48 H45 B3 F12 N6 O -","- C384 H360 B24 F96 N48 O8 -","8","1","","Guo, Qing-Hui; Jia, Manping; Liu, Zhichang; Qiu, Yunyan; Chen, Hongliang; Shen, Dengke; Zhang, Xuan; Tu, Qing; Ryder, Matthew R.; Chen, Haoyuan; Li, Peng; Xu, Yaobin; Li, Penghao; Chen, Zhijie; Shekhawat, Gajendra S.; Dravid, Vinayak P.; Snurr, Randall Q.; Philp, Douglas; Sue, Andrew C.-H.; Farha, Omar K.; Rolandi, Marco; Stoddart, J. Fraser","Single-Crystal Polycationic Polymers Obtained by Single-Crystal-to-Single-Crystal Photopolymerization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13790","","","1.54178","CuKα","","0.1973","0.1698","","","0.4544","0.4877","","","","","","2.123","","","","has coordinates,has disorder","248329","2020-10-21","18:00:00",""
"4134209","8.518","0.0001","11.7992","0.0003","25.2433","0.0005","90","","92.423","0.001","90","","2534.82","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 N2 Ti -","- C33 H30 N2 Ti -","- C132 H120 N8 Ti4 -","4","1","","Pearce, Adam J.; Harkins, Robin P.; Reiner, Benjamin R.; Wotal, Alexander C.; Dunscomb, Rachel J.; Tonks, Ian A.","Multicomponent Pyrazole Synthesis from Alkynes, Nitriles, and Ti Imidos via Oxidatively Induced N-N Bond Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13173","","","0.71073","MoKα","","0.0803","0.0512","","","0.11","0.1233","","","","","","1.019","","","","has coordinates","248330","2020-10-21","18:00:00",""
"4134210","9.2324","0.0008","9.9661","0.0008","13.0708","0.0011","100.435","0.003","100.308","0.004","93.958","0.004","1157.27","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","19002","","","- C26 H23 Cl2 N2 Ti -","- C26 H23 Cl2 N2 Ti -","- C52 H46 Cl4 N4 Ti2 -","2","1","","Pearce, Adam J.; Harkins, Robin P.; Reiner, Benjamin R.; Wotal, Alexander C.; Dunscomb, Rachel J.; Tonks, Ian A.","Multicomponent Pyrazole Synthesis from Alkynes, Nitriles, and Ti Imidos via Oxidatively Induced N-N Bond Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13173","","","0.71073","MoKα","","0.0976","0.057","","","0.1363","0.1679","","","","","","1.075","","","","has coordinates","248331","2020-10-21","18:00:00",""
"4134211","10.952","0.004","16.038","0.005","15.834","0.006","90","","105.03","0.02","90","","2686.1","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 Cl2 N4 Ti -","- C29 H30 Cl2 N4 Ti -","- C116 H120 Cl8 N16 Ti4 -","4","1","","Pearce, Adam J.; Harkins, Robin P.; Reiner, Benjamin R.; Wotal, Alexander C.; Dunscomb, Rachel J.; Tonks, Ian A.","Multicomponent Pyrazole Synthesis from Alkynes, Nitriles, and Ti Imidos via Oxidatively Induced N-N Bond Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13173","","","0.71073","MoKα","","0.0729","0.0513","","","0.126","0.1391","","","","","","1.093","","","","has coordinates","248332","2020-10-21","18:00:00",""
"4134212","19.9721","0.0006","20.562","0.0006","15.0039","0.0004","90","","97.505","0.001","90","","6108.8","0.3","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Cl2 N2 O0.5 Ti -","- C35 H35 Cl2 N2 O0.5 Ti -","- C280 H280 Cl16 N16 O4 Ti8 -","8","2","","Pearce, Adam J.; Harkins, Robin P.; Reiner, Benjamin R.; Wotal, Alexander C.; Dunscomb, Rachel J.; Tonks, Ian A.","Multicomponent Pyrazole Synthesis from Alkynes, Nitriles, and Ti Imidos via Oxidatively Induced N-N Bond Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13173","","","0.71073","MoKα","","0.1085","0.0636","","","0.1317","0.1516","","","","","","1.02","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4134213","15.6951","0.0006","12.0965","0.0005","20.2737","0.0009","90","","109.224","0.001","90","","3634.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 Cl2 N4 Ti -","- C40 H46 Cl2 N4 Ti -","- C160 H184 Cl8 N16 Ti4 -","4","0.5","","Pearce, Adam J.; Harkins, Robin P.; Reiner, Benjamin R.; Wotal, Alexander C.; Dunscomb, Rachel J.; Tonks, Ian A.","Multicomponent Pyrazole Synthesis from Alkynes, Nitriles, and Ti Imidos via Oxidatively Induced N-N Bond Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13173","","","0.71073","MoKα","","0.0601","0.0387","","","0.0927","0.1053","","","","","","1.076","","","","has coordinates","248334","2020-10-21","18:00:00",""
"4134214","17.105","0.001","9.706","0.0005","15.0812","0.0008","90","","106.174","0.002","90","","2404.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Cl2 N3 Ti -","- C25 H27 Cl2 N3 Ti -","- C100 H108 Cl8 N12 Ti4 -","4","1","","Pearce, Adam J.; Harkins, Robin P.; Reiner, Benjamin R.; Wotal, Alexander C.; Dunscomb, Rachel J.; Tonks, Ian A.","Multicomponent Pyrazole Synthesis from Alkynes, Nitriles, and Ti Imidos via Oxidatively Induced N-N Bond Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13173","","","0.71073","MoKα","","0.078","0.0407","","","0.0903","0.1118","","","","","","1.057","","","","has coordinates","248335","2020-10-21","18:00:00",""
"4134215","9.2825","0.0004","11.7953","0.0005","14.3737","0.0005","86.209","0.001","82.03","0.001","70.43","0.001","1468.21","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Cl2 N4 Ti -","- C33 H30 Cl2 N4 Ti -","- C66 H60 Cl4 N8 Ti2 -","2","1","","Pearce, Adam J.; Harkins, Robin P.; Reiner, Benjamin R.; Wotal, Alexander C.; Dunscomb, Rachel J.; Tonks, Ian A.","Multicomponent Pyrazole Synthesis from Alkynes, Nitriles, and Ti Imidos via Oxidatively Induced N-N Bond Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13173","","","0.71073","MoKα","","0.0487","0.0376","","","0.0892","0.0954","","","","","","1.055","","","","has coordinates,has disorder","248336","2020-10-21","18:00:00",""
"4134216","19.1089","0.001","23.798","0.002","10.2583","0.0009","90","","97.357","0.006","90","","4626.6","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H71 Fe Gd N2 O -","- C49 H71 Fe Gd N2 O -","- C196 H284 Fe4 Gd4 N8 O4 -","4","0.5","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","","0.71073","MoKα","","0.1163","0.0759","","","0.1466","0.1687","","","","","","1.082","","","","has coordinates,has disorder","248337","2020-10-21","18:00:00",""
"4134217","25.4275","0.0018","20.3332","0.0004","15.0048","0.0011","90","","142.261","0.015","90","","4748.3","1.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 Fe N4 O2 -","- C23 H29 Fe N4 O2 -","- C184 H232 Fe8 N32 O16 -","8","2","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","x-ray","1.54184","CuKα","","0.053","0.0403","","","0.0944","0.1009","","","","","","1.012","","","","has coordinates","248338","2020-10-21","18:00:00",""
"4134218","8.6617","0.0001","21.2088","0.0001","22.7976","0.0001","90","","90","","90","","4188.02","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H59 Fe N4 O2 Y -","- C43 H59 Fe N4 O2 Y -","- C172 H236 Fe4 N16 O8 Y4 -","4","1","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","","1.54184","CuKα","","0.0269","0.026","","","0.0669","0.0677","","","","","","0.998","","","","has coordinates,has disorder","248339","2020-10-21","18:00:00",""
"4134219","14.1543","0.0008","19.3278","0.0008","21.0046","0.0009","100.68","0.004","109.484","0.005","92.982","0.004","5283","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H71 Fe N4 O2 Y -","- C49 H71 Fe N4 O2 Y -","- C196 H284 Fe4 N16 O8 Y4 -","4","2","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","","1.54184","CuKα","","0.0887","0.0594","","","0.1248","0.1449","","","","","","0.956","","","","has coordinates","248340","2020-10-21","18:00:00",""
"4134220","14.174","0.0003","19.2468","0.0004","20.88","0.0004","100.408","0.002","109.137","0.002","93.002","0.002","5254.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H166 Fe2 Gd2 N8 O4 -","- C108 H166 Fe2 Gd2 N8 O4 -","- C216 H332 Fe4 Gd4 N16 O8 -","2","1","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","x-ray","1.54184","CuKα","","0.0411","0.034","","","0.0821","0.0869","","","","","","1.011","","","","has coordinates,has disorder","248341","2020-10-21","18:00:00",""
"4134221","8.6849","0.0002","21.2561","0.0003","22.8285","0.0004","90","","90","","90","","4214.3","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H59 Fe Gd N4 O2 -","- C43 H59 Fe Gd N4 O2 -","- C172 H236 Fe4 Gd4 N16 O8 -","4","1","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","","1.54184","CuKα","","0.0427","0.0381","","","0.1151","0.1216","","","","","","0.932","","","","has coordinates,has disorder","248342","2020-10-21","18:00:00",""
"4134222","11.5668","0.0005","12.4022","0.0005","15.009","0.0008","100.604","0.004","111.178","0.004","91.002","0.004","1965.1","0.17","150","0.3","150","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C39 H65 Fe N5 O2 -","- C39 H65 Fe N5 O2 -","- C78 H130 Fe2 N10 O4 -","2","1","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","x-ray","0.71073","MoKα","","0.0712","0.0571","","","0.1471","0.1618","","","","","","1.043","","","","has coordinates","248343","2020-10-21","18:00:00",""
"4134223","19.139","0.0011","23.753","0.003","10.224","0.0007","90","","97.911","0.007","90","","4603.7","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H71 Fe N2 O Y -","- C49 H71 Fe N2 O Y -","- C196 H284 Fe4 N8 O4 Y4 -","4","0.5","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","","0.71073","MoKα","","0.1713","0.0877","","","0.17","0.2189","","","","","","1","","","","has coordinates,has disorder","248344","2020-10-21","18:00:00",""
"4134224","13.594","0.003","22.789","0.005","23.453","0.005","90","","95.29","0.03","90","","7235","3","113.15","","113.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H96 B2 Mg N4 O3 Si2 -","- C64 H96 B2 Mg N4 O3 Si2 -","- C256 H384 B8 Mg4 N16 O12 Si8 -","4","1","","Tian, Miao; Zhang, Jianying; Yang, Hao; Cui, Chunming","Isolation of a 1-Magnesium-2,3-Disilacyclopropene and a Related Bis(disilenide).","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00519","","","0.71073","MoKα","","0.1469","0.0829","","","0.206","0.2412","","","","","","0.998","","","","has coordinates","248345","2020-10-21","18:00:00",""
"4134225","8.945","0.0006","16.8606","0.0011","17.7667","0.0013","74.859","0.006","82.66","0.006","83.509","0.006","2556.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H53 Cl2 N5 O7 -","- C58 H53 Cl2 N5 O7 -","- C116 H106 Cl4 N10 O14 -","2","1","","Sierra, Andrés F; Hernández-Alonso, Daniel; Romero, Miguel Angel; Gonzalez Delgado, Jose Antonio; Pischel, Uwe; Ballester, Pablo","Optical Supramolecular Sensing of Creatinine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12071","","","0.71075","MoKα","","0.0828","0.0638","","","0.1681","0.1779","","","","","","1.019","","","","has coordinates,has disorder","248378","2020-10-21","18:00:00",""
"4134226","26.754","0.003","26.05","0.003","31.756","0.003","90","","90","","90","","22132","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C124.15 H103.5 Cl8.3 N10 O14 P2 -","- C124.15 H103.5 Cl8.3 N10 O14 P2 -","- C993.2 H828 Cl66.4 N80 O112 P16 -","8","1","","Sierra, Andrés F; Hernández-Alonso, Daniel; Romero, Miguel Angel; Gonzalez Delgado, Jose Antonio; Pischel, Uwe; Ballester, Pablo","Optical Supramolecular Sensing of Creatinine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12071","","","0.71073","MoKα","","0.1286","0.0769","","","0.199","0.2227","","","","","","1.358","","","","has coordinates,has disorder","248379","2020-10-21","18:00:00",""
"4134227","13.2795","0.0002","15.0499","0.0004","18.2901","0.0004","66.029","0.002","72.0312","0.0017","85.1829","0.0017","3173.59","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35.25 H35 N2.5 O4.75 P0.5 -","- C35.25 H35 N2.5 O4.75 P0.5 -","- C141 H140 N10 O19 P2 -","4","2","","Sierra, Andrés F; Hernández-Alonso, Daniel; Romero, Miguel Angel; Gonzalez Delgado, Jose Antonio; Pischel, Uwe; Ballester, Pablo","Optical Supramolecular Sensing of Creatinine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12071","","","0.71075","MoKα","","0.1477","0.076","","","0.2008","0.2324","","","","","","0.982","","","","has coordinates,has disorder","248380","2020-10-21","18:00:00",""
"4134228","13.856","0.0011","5.5729","0.0003","13.5129","0.0009","90","","103.236","0.008","90","","1015.72","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 N3 O -","- C9 H17 N3 O -","- C36 H68 N12 O4 -","4","1","","Sierra, Andrés F; Hernández-Alonso, Daniel; Romero, Miguel Angel; Gonzalez Delgado, Jose Antonio; Pischel, Uwe; Ballester, Pablo","Optical Supramolecular Sensing of Creatinine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12071","","","0.71075","MoKα","","0.1151","0.0913","","","0.2387","0.2586","","","","","","1.066","","","","has coordinates","248381","2020-10-21","18:00:00",""
"4134233","13.4608","0.0002","29.8404","0.0005","17.2593","0.0003","90","","103.92","0.0017","90","","6729","0.2","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H38 Br Mn N4 O3 -","- C35 H38 Br Mn N4 O3 -","- C280 H304 Br8 Mn8 N32 O24 -","8","2","","Rønne, Magnus Haugaard H; Cho, Dasol; Madsen, Monica R.; Jakobsen, Joakim B.; Eom, Seunghwan; Escoudé, Émile; Hammershøj, Hans Christian D; Nielsen, Dennis U.; Pedersen, Steen U.; Baik, Mu-Hyun; Skrydstrup, Troels; Daasbjerg, Kim","Ligand Controlled Product Selectivity in the Electrochemical Carbon Dioxide Reduction Using Manganese Bipyridine Catalysts.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11806","","x-ray","0.71073","MoKα","","0.077","0.0603","","","0.1631","0.1758","","","","","","1.054","","","","has coordinates","248421","2020-10-21","18:00:00",""
"4134234","77.656","0.016","32.255","0.007","64.599","0.013","90","","118.26","0.03","90","","142521","7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C492 H1340 Br6 Gd102 N60 Ni36 O832 S54 -","- C432 H695 Br6 Gd102 N54 Ni36 O624 S54 -","- C1728 H2780 Br24 Gd408 N216 Ni144 O2496 S216 -","4","0.5","","Chen, Wei-Peng; Liao, Pei-Qin; Jin, Peng-Bo; Zhang, Lei; Ling, Bo-Kai; Wang, Shi-Cheng; Chan, Yi-Tsu; Chen, Xiao-Ming; Zheng, Yan-Zhen","The Gigantic {Ni<sub>36</sub>Gd<sub>102</sub>} Hexagon: A Sulfate-Templated ""Star-of-David"" for Photocatalytic CO<sub>2</sub> Reduction and Magnetic Cooling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11543","","","0.8265","synchrotron","","0.2127","0.1258","","","0.2789","0.3145","","","","","","1.076","","","","has coordinates","248422","2020-10-21","18:00:00",""
"4134235","9.8221","0.0004","9.8415","0.0004","11.7712","0.0004","78.958","0.006","87.087","0.006","69.349","0.005","1044.86","0.08","296","","296","","","","","","","","","3","P 1","P 1","1","","","","- C31 H27 Br -","- C29 H22 Br -","- C58 H44 Br2 -","2","2","","Takano, Hideaki; Shiozawa, Natsumi; Imai, Yoshitane; Kanyiva, Kyalo Stephen; Shibata, Takanori","Catalytic Enantioselective Synthesis of Axially Chiral Polycyclic Aromatic Hydrocarbons (PAHs) via Regioselective C-C Bond Activation of Biphenylenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12205","","","1.54187","CuKα","","0.0529","0.0513","","","0.137","0.138","","","","","","1.058","","","","has coordinates","248434","2020-10-21","18:00:00",""
"4134236","20.808475","","11.960014","","19.896179","","90","","120.03","","90","","4286.88","","","","","","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C4.091 H377.543 Br3.463 O31.68 Zr5.94 -","- C7.32 H376 Br3.48 O31.68 Zr5.94 -","- C7.32 H376 Br3.48 O31.68 Zr5.94 -","1","0.25","","Lyu, Jiafei; Gong, Xinyi; Lee, Seung-Joon; Gnanasekaran, Karthikeyan; Zhang, Xuan; Wasson, Megan C.; Wang, Xingjie; Bai, Peng; Guo, Xianghai; Gianneschi, Nathan C.; Farha, Omar K.","Phase Transitions in Metal-Organic Frameworks Directly Monitored through In Situ Variable Temperature Liquid-Cell Transmission Electron Microscopy and In Situ X-ray Diffraction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00542","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","248435","2020-10-21","18:00:00",""
"4134237","9.358","0.002","10.445","0.003","12.247","0.003","101.79","0.006","108.779","0.006","110.077","0.005","995.5","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 Cl F3 N O2 -","- C21 H20 Cl F3 N O2 -","- C42 H40 Cl2 F6 N2 O4 -","2","1","","Deng, Tianning; Mazumdar, Wrickban; Ford, Russell; Jana, Navendu; Izar, Ragda; Wink, Donald J.; Driver, Tom G.","Oxidation of Non-Activated Anilines to Generate N-Aryl Nitrenoids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13599","","","0.71073","MoKα","","0.1248","0.0715","","","0.1767","0.1955","","","","","","1.186","","","","has coordinates","248436","2020-10-21","18:00:00",""
"4134238","31.023","0.007","31.023","0.007","7.2503","0.0014","90","","90","","120","","6043","2","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C18 H17 N -","- C18 H17 N -","- C324 H306 N18 -","18","1","","Deng, Tianning; Mazumdar, Wrickban; Ford, Russell; Jana, Navendu; Izar, Ragda; Wink, Donald J.; Driver, Tom G.","Oxidation of Non-Activated Anilines to Generate N-Aryl Nitrenoids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13599","","","0.71073","MoKα","","0.0864","0.0524","","","0.1272","0.1443","","","","","","0.952","","","","has coordinates","248437","2020-10-21","18:00:00",""
"4134239","10.0206","0.0014","13.4853","0.0018","12.9729","0.0018","90","","96","0.003","90","","1743.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 F3 N O2 -","- C20 H18 F3 N O2 -","- C80 H72 F12 N4 O8 -","4","1","","Deng, Tianning; Mazumdar, Wrickban; Ford, Russell; Jana, Navendu; Izar, Ragda; Wink, Donald J.; Driver, Tom G.","Oxidation of Non-Activated Anilines to Generate N-Aryl Nitrenoids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13599","","","0.71073","MoKα","","0.2101","0.1026","","","0.2154","0.2533","","","","","","1.262","","","","has coordinates,has disorder","248438","2020-10-21","18:00:00",""
"4134240","14.1391","0.0003","15.2551","0.0004","15.3506","0.0003","78.101","0.002","71.786","0.002","84.391","0.002","3075.57","0.13","105.4","0.5","105.4","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C78 H84 Cl2 -","- C78 H84 Cl2 -","- C156 H168 Cl4 -","2","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","x-ray","1.54184","CuKα","","0.053","0.0478","","","0.1275","0.1323","","","","","","1.042","","","","has coordinates","248446","2020-10-21","18:00:00",""
"4134241","19.8661","0.0003","18.8637","0.0003","24.5531","0.0004","90","","104.684","0.001","90","","8900.7","0.2","109.7","0.5","109.7","0.5","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C42 H34 N4 -","- C42 H34 N4 -","- C336 H272 N32 -","8","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","x-ray","1.54184","CuKα","","0.0591","0.0508","","","0.1409","0.1471","","","","","","1.036","","","","has coordinates,has disorder","248447","2020-10-21","18:00:00",""
"4134242","25.369","0.006","12.529","0.003","16.684","0.004","90","","95.093","0.004","90","","5282","2","173","2","173.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C62 H84 Cl2 -","- C62 H84 Cl2 -","- C248 H336 Cl8 -","4","0.5","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","","0.71073","MoKα","","0.1021","0.0971","","","0.278","0.2831","","","","","","1.124","","","","has coordinates,has disorder","248448","2020-10-21","18:00:00",""
"4134243","18.12102","0.00008","18.06784","0.00007","12.92384","0.00006","90","","90","","90","","4231.36","0.03","173","0.1","173","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C48 H56 -","- C48 H56 -","- C192 H224 -","4","0.5","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","","1.54184","CuKα","","0.0712","0.0534","","","0.1485","0.1608","","","","","","1.041","","","","has coordinates","248449","2020-10-21","18:00:00",""
"4134244","11.7332","0.0003","12.2075","0.0004","16.3902","0.0005","72.612","0.003","88.798","0.002","61.9","0.003","1956.16","0.12","173","0.1","173","","","","","","","","","2","P -1","-P 1","2","","","","- C48 H60 -","- C48 H56 -","- C96 H112 -","2","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","","1.54184","CuKα","","0.0643","0.0565","","","0.148","0.1562","","","","","","1.042","","","","has coordinates","248450","2020-10-21","18:00:00",""
"4134245","14.5216","0.0003","15.2767","0.0003","17.1544","0.0002","75.021","0.002","88.603","0.001","65.324","0.002","3325.4","0.12","99.98","0.16","99.98","0.16","","","","","","","","2","P -1","-P 1","2","","","","- C72 H72 -","- C72 H72 -","- C144 H144 -","2","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","x-ray","1.54184","CuKα","","0.068","0.0614","","","0.1493","0.154","","","","","","1.074","","","","has coordinates,has disorder","248451","2020-10-21","18:00:00",""
"4134246","15.004","0.003","15.137","0.003","16.382","0.003","91.66","0.03","97.12","0.03","114.55","0.03","3344.8","1.4","173","2","173.15","","","","","","","","","2","P -1","-P 1","2","","","","- C72 H72 -","- C72 H72 -","- C144 H144 -","2","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","","0.71073","MoKα","","0.119","0.105","","","0.25","0.2594","","","","","","1.165","","","","has coordinates","248452","2020-10-21","18:00:00",""
"4134247","14.0137","0.001","14.8522","0.0007","30.5015","0.0014","99.833","0.004","96.296","0.005","101.675","0.005","6056.9","0.6","102","1","102","1","","","","","","","","5","P -1","-P 1","2","","","","- C104 H64 Cl8 N8 O8 -","- C104 H64 Cl8 N8 O8 -","- C208 H128 Cl16 N16 O16 -","2","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","x-ray","1.54184","CuKα","","0.1601","0.1318","","","0.3647","0.3834","","","","","","1.325","","","","has coordinates","248453","2020-10-21","18:00:00",""
"4134248","27.3673","0.0005","24.3761","0.0005","25.0658","0.0004","90","","90","","90","","16721.6","0.5","112","1","112","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C85 H69 Cl3 N8 -","- C85 H69 Cl3 N8 -","- C680 H552 Cl24 N64 -","8","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","x-ray","1.54184","CuKα","","0.1526","0.1358","","","0.4101","0.427","","","","","","1.637","","","","has coordinates,has disorder","248454","2020-10-21","18:00:00",""
"4134249","13.112","0.002","36.79","0.007","13.941","0.003","90","","94.675","0.003","90","","6703","2","173","2","173.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C78 H83 N -","- C78 H83 N -","- C312 H332 N4 -","4","2","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","","0.71073","MoKα","","0.1104","0.093","","","0.2301","0.2497","","","","","","1.058","","","","has coordinates,has disorder","248455","2020-10-21","18:00:00",""
"4134250","13.4917","0.0009","15.7383","0.001","19.8762","0.0013","67.001","0.006","82.321","0.005","83.718","0.005","3842.5","0.5","99.99","0.13","99.99","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C92 H74 Cl4 N6 O4 -","- C92 H74 Cl4 N6 O4 -","- C184 H148 Cl8 N12 O8 -","2","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","x-ray","1.54184","CuKα","","0.1527","0.0938","","","0.2263","0.2585","","","","","","1.044","","","","has coordinates,has disorder","248456","2020-10-21","18:00:00",""
"4134251","10.602","0.003","12.553","0.003","16.667","0.004","100.365","0.003","98.374","0.002","111.432","0.002","1976.2","0.9","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H59.8 Cl0.2 O0.9 -","- C49 H59.8446 Cl0.1554 O0.9482 -","- C98 H119.689 Cl0.3108 O1.8964 -","2","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","","0.710747","MoKα","","0.0716","0.0665","","","0.1561","0.1607","","","","","","1.105","","","","has coordinates,has disorder","248457","2020-10-21","18:00:00",""
"4134252","14.2701","0.0007","21.8579","0.001","17.2886","0.0008","90","","110.914","0.005","90","","5037.3","0.4","100","0.1","100","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C60 H80 -","- C60 H80 -","- C240 H320 -","4","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","x-ray","0.71073","MoKα","","0.0974","0.0609","","","0.1271","0.1442","","","","","","1.015","","","","has coordinates","248458","2020-10-21","18:00:00",""
"4134253","14.8771","0.0009","9.4425","0.0005","5.8322","0.0004","90","","90","","90","","819.29","0.09","293","2","293","2","","","","","","","","5","P m a 2","P 2 -2a","28","","","","- C5 H16 Cl6 N2 Pb2 -","- C5 H16 Cl6 N2 Pb2 -","- C10 H32 Cl12 N4 Pb4 -","2","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Cheng, Hao; Zeng, Yu-Ling; Zhang, Yi; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","A Three-Dimensional Lead Halide Perovskite-Related Ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00375","","","0.71073","MoKα","","0.0585","0.0545","","","0.152","0.1569","","","","","","1.003","","","","has coordinates","248459","2020-10-21","18:00:00",""
"4134254","14.9094","0.0006","9.4872","0.0004","5.8622","0.0003","90","","90","","90","","829.2","0.06","393","2","393","2","","","","","","","","5","P m a 2","P 2 -2a","28","","","","- C5 H16 Cl6 N2 Pb2 -","- C5 H16 Cl6 N2 Pb2 -","- C10 H32 Cl12 N4 Pb4 -","2","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Cheng, Hao; Zeng, Yu-Ling; Zhang, Yi; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","A Three-Dimensional Lead Halide Perovskite-Related Ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00375","","","0.71073","MoKα","","0.0388","0.0358","","","0.091","0.0925","","","","","","1.004","","","","has coordinates","248460","2020-10-21","18:00:00",""
"4134255","14.9183","0.0009","5.8648","0.0003","9.4829","0.0005","90","","90","","90","","829.69","0.08","423","2","423","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C5 H16 Cl6 N2 Pb2 -","- C5 H16 Cl6 N2 Pb2 -","- C10 H32 Cl12 N4 Pb4 -","2","0.25","","Zhang, Han-Yue; Song, Xian-Jiang; Cheng, Hao; Zeng, Yu-Ling; Zhang, Yi; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","A Three-Dimensional Lead Halide Perovskite-Related Ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00375","","","0.71073","MoKα","","0.0539","0.0494","","","0.1422","0.1472","","","","","","1.008","","","","has coordinates","248461","2020-10-21","18:00:00",""
"4134256","5.6892","0.0001","7.0976","0.0001","11.5466","0.0003","76.351","0.002","82.677","0.002","84.635","0.002","448.411","0.016","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H16 Cl2 N2 -","- C5 H16 Cl2 N2 -","- C10 H32 Cl4 N4 -","2","1","","Zhang, Han-Yue; Song, Xian-Jiang; Cheng, Hao; Zeng, Yu-Ling; Zhang, Yi; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","A Three-Dimensional Lead Halide Perovskite-Related Ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00375","","","0.71073","MoKα","","0.032","0.0302","","","0.0857","0.0869","","","","","","1.007","","","","has coordinates","248462","2020-10-21","18:00:00",""
"4134257","8.8776","0.0002","19.7436","0.0004","13.4135","0.0003","90","","101.693","0.0006","90","","2302.27","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N3 O3 S2 -","- C27 H21 N3 O3 S2 -","- C108 H84 N12 O12 S8 -","4","1","","Yu, Hao; Li, Songsong; Schwieter, Kenneth E.; Liu, Yun; Sun, Boran; Moore, Jeffrey S.; Schroeder, Charles M.","Charge Transport in Sequence-Defined Conjugated Oligomers.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00043","","","0.71073","MoKα","","0.0347","0.0303","","","0.0744","0.0775","","","","","","1.042","","","","has coordinates","248494","2020-10-21","18:00:00",""
"4134258","6.6052","0.0002","26.8681","0.0008","13.2804","0.0004","90","","91.3013","0.0009","90","","2356.25","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N3 O3 S2 -","- C27 H21 N3 O3 S2 -","- C108 H84 N12 O12 S8 -","4","1","","Yu, Hao; Li, Songsong; Schwieter, Kenneth E.; Liu, Yun; Sun, Boran; Moore, Jeffrey S.; Schroeder, Charles M.","Charge Transport in Sequence-Defined Conjugated Oligomers.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00043","","","0.71073","MoKα","","0.0624","0.0428","","","0.0811","0.088","","","","","","1.047","","","","has coordinates","248495","2020-10-21","18:00:00",""
"4134259","9.9882","0.0003","16.7181","0.0004","14.9023","0.0004","90","","107.501","0.001","90","","2373.26","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N3 O3 S2 -","- C27 H21 N3 O3 S2 -","- C108 H84 N12 O12 S8 -","4","1","","Yu, Hao; Li, Songsong; Schwieter, Kenneth E.; Liu, Yun; Sun, Boran; Moore, Jeffrey S.; Schroeder, Charles M.","Charge Transport in Sequence-Defined Conjugated Oligomers.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00043","","","0.71073","MoKα","","0.0702","0.0672","","","0.154","0.1551","","","","","","1.338","","","","has coordinates,has disorder","248496","2020-10-21","18:00:00",""
"4134260","8.0539","0.0003","22.4096","0.0007","15.3897","0.0005","90","","95.711","0.0006","90","","2763.82","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Cl3 N3 O3 S2 -","- C28 H22 Cl3 N3 O3 S2 -","- C112 H88 Cl12 N12 O12 S8 -","4","1","","Yu, Hao; Li, Songsong; Schwieter, Kenneth E.; Liu, Yun; Sun, Boran; Moore, Jeffrey S.; Schroeder, Charles M.","Charge Transport in Sequence-Defined Conjugated Oligomers.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00043","","","0.71073","MoKα","","0.0423","0.0368","","","0.088","0.0917","","","","","","1.029","","","","has coordinates,has disorder","248497","2020-10-21","18:00:00",""
"4134261","7.9993","0.0012","12.0989","0.0017","16.417","0.002","90","","90","","90","","1588.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 O2 -","- C18 H28 O2 -","- C72 H112 O8 -","4","1","","Deng, Jiachen; Ning, Yuhan; Tian, Hailong; Gui, Jinghan","Divergent Synthesis of Antiviral Diterpenes Wickerols A and B.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11838","","","0.71073","MoKα","","0.0689","0.0511","","","0.1093","0.1228","","","","","","1.031","","","","has coordinates","248498","2020-10-21","18:00:00",""
"4134262","32.471","0.01","6.632","0.002","16.071","0.006","90","","113.844","0.009","90","","3165.5","1.8","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C34 H50 O7 -","- C34 H50 O7 -","- C136 H200 O28 -","4","1","","Deng, Jiachen; Ning, Yuhan; Tian, Hailong; Gui, Jinghan","Divergent Synthesis of Antiviral Diterpenes Wickerols A and B.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11838","","","0.71073","MoKα","","0.1317","0.0611","","","0.1199","0.153","","","","","","1.044","","","","has coordinates,has disorder","248499","2020-10-21","18:00:00",""
"4134263","7.539","0.0001","10.9976","0.0002","15.373","0.0003","90","","97.424","0.001","90","","1263.9","0.04","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O2 -","- C14 H22 O2 -","- C56 H88 O8 -","4","2","","Deng, Jiachen; Ning, Yuhan; Tian, Hailong; Gui, Jinghan","Divergent Synthesis of Antiviral Diterpenes Wickerols A and B.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11838","","","1.34139","GaKα","","0.0305","0.0304","","","0.0836","0.0838","","","","","","0.975","","","","has coordinates","248500","2020-10-21","18:00:00",""
"4134264","14.1298","0.0016","38.475","0.004","38.518","0.004","90","","93.824","0.007","90","","20893","4","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H50 Cl2 F6 S6 Sb -","- C53 H50 Cl2 F6 S6 Sb -","- C848 H800 Cl32 F96 S96 Sb16 -","16","4","","Fujiwara, Toshihiro; Muranaka, Atsuya; Nishinaga, Tohru; Aoyagi, Shinobu; Kobayashi, Nagao; Uchiyama, Masanobu; Otani, Hiroyuki; Iyoda, Masahiko","Preparation, Spectroscopic Characterization and Theoretical Study of a Three-Dimensional Conjugated 70 π-Electron Thiophene 6-mer Radical Cation π-Dimer","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13573","","","0.4139","synchrotron","","0.2195","0.1667","","","0.3627","0.3857","","","","","","1.83","","","","has coordinates","248501","2020-10-21","18:00:00",""
"4134265","8.585","0.003","9.649","0.003","10.848","0.004","99.192","0.019","101.842","0.019","99.459","0.017","849.9","0.5","170","2","170","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C40 H56 O10 -","2","1","","Gao, Jianhong; Rao, Peirong; Xu, Kaixiang; Wang, Shuaifeng; Wu, Yufei; Ding, Hanfeng","Total Synthesis of (-)-Rhodomollanol A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00308","","","0.71073","MoKα","","0.0401","0.0376","","","0.0955","0.0978","","","","","","1.033","","","","has coordinates","248532","2020-10-21","18:00:00",""
"4134266","11.1451","0.0004","23.6819","0.0006","6.64","0.0002","90","","93.201","0.001","90","","1749.81","0.09","170","2","170","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 O5 -","- C21 H26 O5 -","- C84 H104 O20 -","4","1","","Gao, Jianhong; Rao, Peirong; Xu, Kaixiang; Wang, Shuaifeng; Wu, Yufei; Ding, Hanfeng","Total Synthesis of (-)-Rhodomollanol A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00308","","","0.71073","MoKα","","0.0627","0.0552","","","0.132","0.1388","","","","","","1.092","","","","has coordinates","248533","2020-10-21","18:00:00",""
"4134267","7.8133","0.0002","13.3461","0.0004","16.8714","0.0005","90","","90.194","0.001","90","","1759.29","0.09","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 O5 -","- C21 H26 O5 -","- C84 H104 O20 -","4","1","","Gao, Jianhong; Rao, Peirong; Xu, Kaixiang; Wang, Shuaifeng; Wu, Yufei; Ding, Hanfeng","Total Synthesis of (-)-Rhodomollanol A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00308","","","0.71073","MoKα","","0.0553","0.0429","","","0.115","0.1255","","","","","","1.055","","","","has coordinates","248534","2020-10-21","18:00:00",""
"4134268","14.206","0.0012","10.1372","0.0006","14.5055","0.0013","90","","118.834","0.011","90","","1829.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 O4 -","- C21 H32 O4 -","- C84 H128 O16 -","4","1","","Gao, Jianhong; Rao, Peirong; Xu, Kaixiang; Wang, Shuaifeng; Wu, Yufei; Ding, Hanfeng","Total Synthesis of (-)-Rhodomollanol A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00308","","","0.71073","MoKα","","0.0627","0.0465","","","0.1098","0.1223","","","","","","1.027","","","","has coordinates","248535","2020-10-21","18:00:00",""
"4134269","7.854","0.0011","6.7448","0.0009","9.7912","0.0014","90","","113.64","","90","","475.15","0.11","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H9 Br3 F Mn N -","- C4 H9 Br3 F Mn N -","- C8 H18 Br6 F2 Mn2 N2 -","2","1","","Gao, Ji-Xing; Zhang, Wan-Ying; Wu, Zheng-Guang; Zheng, You-Xuan; Fu, Da-Wei","Enantiomorphic Perovskite Ferroelectrics with Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13291","","","0.71073","MoKα","","0.0607","0.0547","","","0.1506","0.1545","","","","","","1.001","","","","has coordinates","248536","2020-10-21","18:00:00",""
"4134270","7.8558","0.0004","6.7422","0.0003","9.7844","0.0005","90","","113.669","0.003","90","","474.64","0.04","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H9 Br3 F Mn N -","- C4 H9 Br3 F Mn N -","- C8 H18 Br6 F2 Mn2 N2 -","2","1","","Gao, Ji-Xing; Zhang, Wan-Ying; Wu, Zheng-Guang; Zheng, You-Xuan; Fu, Da-Wei","Enantiomorphic Perovskite Ferroelectrics with Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13291","","","0.71073","MoKα","","0.0802","0.0737","","","0.1914","0.1968","","","","","","1.003","","","","has coordinates","248537","2020-10-21","18:00:00",""
"4134271","7.8873","0.001","18.012","0.002","6.7513","0.0008","90","","90","","90","","959.1","0.2","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C4 H9 Br3 F Mn N -","- C4 H9 Br3 F Mn N -","- C16 H36 Br12 F4 Mn4 N4 -","4","0.5","","Gao, Ji-Xing; Zhang, Wan-Ying; Wu, Zheng-Guang; Zheng, You-Xuan; Fu, Da-Wei","Enantiomorphic Perovskite Ferroelectrics with Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13291","","","0.71073","MoKα","","0.0432","0.039","","","0.1056","0.108","","","","","","1.089","","","","has coordinates","248538","2020-10-21","18:00:00",""
"4134272","7.9069","0.0005","18.0192","0.0012","6.7589","0.0004","90","","90","","90","","962.98","0.11","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C4 H9 Br3 F Mn N -","- C4 H9 Br3 F Mn N -","- C16 H36 Br12 F4 Mn4 N4 -","4","0.5","","Gao, Ji-Xing; Zhang, Wan-Ying; Wu, Zheng-Guang; Zheng, You-Xuan; Fu, Da-Wei","Enantiomorphic Perovskite Ferroelectrics with Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13291","","","0.71073","MoKα","","0.0588","0.0401","","","0.0987","0.1049","","","","","","1.001","","","","has coordinates","248539","2020-10-21","18:00:00",""
"4134273","9.2974","0.0003","25.1758","0.0007","8.9611","0.0003","90","","90","","90","","2097.52","0.11","173","2","173","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C10 H20 F4 I4 N2 Pb -","- C10 H20 F4 I4 N2 Pb -","- C40 H80 F16 I16 N8 Pb4 -","4","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.0355","0.0351","","","0.0847","0.0849","","","","","","1.053","","","","has coordinates","248540","2020-10-21","18:00:00",""
"4134274","8.654","0.0004","18.8523","0.0011","8.0744","0.0004","90","","90","","90","","1317.32","0.12","308","2","308","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C5 H9 F I3 N Pb -","- C5 H9 F I3 N Pb -","- C20 H36 F4 I12 N4 Pb4 -","4","0.25","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.0949","0.091","","","0.2657","0.2688","","","","","","1.109","","","","has coordinates","248541","2020-10-21","18:00:00",""
"4134275","8.7441","0.0014","19.056","0.003","8.0199","0.0009","90","","90","","90","","1336.3","0.3","403","2","403","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C5 H9 F I3 N Pb -","- C5 H9 F I3 N Pb -","- C20 H36 F4 I12 N4 Pb4 -","4","0.25","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.1304","0.1049","","","0.2548","0.2796","","","","","","1.074","","","","has coordinates","248542","2020-10-21","18:00:00",""
"4134276","8.0887","0.001","10.4653","0.0014","14.9244","0.0019","90","","90","","90","","1263.4","0.3","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C5 H9 F I3 N Pb -","- C5 H9 F I3 N Pb -","- C20 H36 F4 I12 N4 Pb4 -","4","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.2227","0.2091","","","0.5026","0.5216","","","","","","2.017","","","","has coordinates","248543","2020-10-21","18:00:00",""
"4134277","9.2541","0.0002","25.0703","0.0005","8.9483","0.0002","90","","90","","90","","2076.03","0.08","100","2","100","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C10 H20 F4 I4 N2 Pb -","- C10 H20 F4 I4 N2 Pb -","- C40 H80 F16 I16 N8 Pb4 -","4","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.0219","0.0214","","","0.0573","0.0575","","","","","","1.103","","","","has coordinates","248544","2020-10-21","18:00:00",""
"4134278","8.1202","0.0005","10.9804","0.0005","14.3598","0.0007","90","","90","","90","","1280.36","0.12","300","2","300","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C5 H11 F I3 N Pb -","- C5 H11 F I3 N Pb -","- C20 H44 F4 I12 N4 Pb4 -","4","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.0588","0.0438","","","0.1003","0.1066","","","","","","0.997","","","","has coordinates","248545","2020-10-21","18:00:00",""
"4134279","8.7153","0.0003","18.443","0.0007","8.1281","0.0003","90","","90","","90","","1306.48","0.08","300","2","300","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C5 H12 I3 N Pb -","- C5 H12 I3 N Pb -","- C20 H48 I12 N4 Pb4 -","4","0.25","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.0345","0.029","","","0.0771","0.0794","","","","","","1.083","","","","has coordinates","248546","2020-10-21","18:00:00",""
"4134280","25.1842","0.0005","8.738","0.0002","32.9196","0.0007","90","","110.546","0.002","90","","6783.5","0.3","300","2","300","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C60 H120 F24 I26 N12 Pb7 -","- C60 H120 F24 I26 N12 Pb7 -","- C120 H240 F48 I52 N24 Pb14 -","2","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.1165","0.0936","","","0.2644","0.2828","","","","","","1.107","","","","has coordinates","248547","2020-10-21","18:00:00",""
"4134281","6.5653","0.0007","6.5653","0.0007","25.81","0.007","90","","90","","90","","1112.5","0.3","453","2","453","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C10 H0 F0 I4 N2 Pb -","- C10 I4 N2 Pb -","- C20 I8 N4 Pb2 -","2","0.0625","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.1066","0.0594","","","0.1765","0.1999","","","","","","1.164","","","","has coordinates","248548","2020-10-21","18:00:00",""
"4134282","9.3456","0.0004","25.3587","0.0013","9.0113","0.0005","90","","90","","90","","2135.61","0.19","300","2","300","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C10 H20 F4 I4 N2 Pb -","- C10 H20 F4 I4 N2 Pb -","- C40 H80 F16 I16 N8 Pb4 -","4","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.0296","0.0283","","","0.0697","0.07","","","","","","1.094","","","","has coordinates","248549","2020-10-21","18:00:00",""
"4134283","15.5578","0.0001","18.7553","0.0001","43.8495","0.0003","90","","90","","90","","12794.9","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Br2 O13 -","- C132.001 H176.002 Br2.0004 O13.0002 -","- C528.003 H704.006 Br8.0016 O52.0008 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0601","0.0536","","","0.1493","0.1554","","","","","","1.034","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134284","15.5918","0.0001","18.7392","0.0001","43.8114","0.0002","90","","90","","90","","12800.7","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Cl2 O13 -","- C132 H176 Cl2 O13 -","- C528 H704 Cl8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0542","0.0506","","","0.1463","0.1504","","","","","","1.028","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134285","15.5129","0.0004","18.7006","0.0006","44.5116","0.0019","90","","90","","90","","12912.8","0.8","100","0.01","100","0.01","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C135 H184 O13 -","- C135 H184 O13 -","- C540 H736 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.1758","0.127","","","0.3005","0.3375","","","","","","1.068","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134286","15.6034","0.0001","18.747","0.0002","43.6221","0.0004","90","","90","","90","","12760.2","0.2","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C129.98 H171.96 Cl0.99 O12.5 -","- C129.98 H171.96 Cl0.99 O12.495 -","- C519.92 H687.84 Cl3.96 O49.98 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0837","0.0713","","","0.1983","0.2112","","","","","","1.036","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134287","15.6135","0.0001","18.7515","0.0001","43.6512","0.0002","90","","90","","90","","12780","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Cl2 O13 -","- C132 H176 Cl2 O13 -","- C528 H704 Cl8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0757","0.0718","","","0.2119","0.2171","","","","","","1.028","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134288","43.9914","0.0003","18.7402","0.0001","15.6122","0.0001","90","","90","","90","","12870.8","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133 H178 Br2 O13 -","- C133 H178 Br2 O13 -","- C532 H712 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0933","0.0902","","","0.2706","0.2754","","","","","","1.286","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134289","43.9781","0.0005","18.7317","0.0002","15.60869","0.00016","90","","90","","90","","12858.2","0.2","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Br2 O13 -","- C132 H176 Br2 O13 -","- C528 H704 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.089","0.0819","","","0.2392","0.2469","","","","","","1.022","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134290","15.5569","0.0001","18.739","0.0001","43.9862","0.0003","90","","90","","90","","12822.9","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C130.76 H173.51 Cl1.38 O12.69 -","- C130.756 H173.512 Cl1.378 O12.689 -","- C523.024 H694.048 Cl5.512 O50.756 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0686","0.0625","","","0.1783","0.1853","","","","","","1.031","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134291","15.6058","0.0001","18.7366","0.0001","43.8709","0.0003","90","","90","","90","","12827.8","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Br2 O13 -","- C132 H176 Br2 O13 -","- C528 H704 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0865","0.0821","","","0.2409","0.2481","","","","","","1.036","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134292","15.6092","0.0001","18.736","0.0001","44.0628","0.0003","90","","90","","90","","12886.3","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133 H178 Br2 O13 -","- C133 H178 Br2 O13 -","- C532 H712 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0679","0.0653","","","0.1875","0.1912","","","","","","1.024","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134293","15.5652","0.0001","18.7578","0.0001","43.9214","0.0003","90","","90","","90","","12823.7","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C130.65 H173.29 Br1.32 O12.66 -","- C130.644 H173.288 Br1.322 O12.661 -","- C522.576 H693.152 Br5.288 O50.644 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0963","0.089","","","0.256","0.2664","","","","","","1.022","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134294","44.1945","0.0002","18.7815","0.0001","15.5563","0.0001","90","","90","","90","","12912.3","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133 H178 Br2 O13 -","- C133 H178 Br2 O13 -","- C532 H712 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.057","0.0528","","","0.1485","0.1522","","","","","","1.024","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134295","15.4103","0.0001","18.6023","0.0001","44.9029","0.0002","90","","90","","90","","12872.2","0.12","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C134 H182 O13 -","- C134 H182 O13 -","- C536 H728 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0381","0.0366","","","0.0997","0.1011","","","","","","1.065","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134296","15.5483","0.0001","18.7836","0.0001","44.2547","0.0003","90","","90","","90","","12924.7","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133 H178 Br2 O13 -","- C133 H178 Br2 O13 -","- C532 H712 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0647","0.0515","","","0.1339","0.1432","","","","","","1.027","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134297","15.6234","0.0001","18.7658","0.0001","43.5913","0.0002","90","","90","","90","","12780.3","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C130.13 H172.26 Br1.07 O12.53 -","- C130.128 H172.256 Br1.064 O12.532 -","- C520.512 H689.024 Br4.256 O50.128 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.077","0.0733","","","0.2104","0.2149","","","","","","1.025","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134298","15.5193","0.0001","18.6716","0.0001","44.6387","0.0006","90","","90","","90","","12935","0.2","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C135 H184 O13 -","- C135 H184 O13 -","- C540 H736 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0668","0.0525","","","0.1366","0.1473","","","","","","1.032","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134299","13.8728","0.0004","15.2034","0.0005","16.2677","0.0005","81.656","0.002","77.474","0.002","82.871","0.002","3298.68","0.18","90","2","90","2","","","","","","","","6","P -1","-P 1","2","SQPhMe2","","","- C70 H91 B N8 O4 Zn -","- C70 H91 B N8 O4 Zn -","- C140 H182 B2 N16 O8 Zn2 -","2","1","","Shultz, David A.; Kirk, Martin L.; Zhang, Jinyuan; Stasiw, Daniel Earl; Wang, Guangbin; Yang, Jing; Habel-Rodriguez, Diana; Stein, Benjamin W.; Sommer, Roger D.","Spectroscopic Signatures of Resonance Inhibition Reveal Differences in Donor-Bridge and Bridge-Acceptor Couplings.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00326","","","0.71073","MoKα","","0.0857","0.0675","","","0.151","0.1581","","","","","","1.177","","","","has coordinates,has disorder","248613","2020-10-21","18:00:00",""
"4134300","13.7356","0.0009","14.3196","0.0008","16.8518","0.0011","77.839","0.002","82.276","0.002","72.005","0.002","3073.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","607-Me2Ph","","","- C65 H79.86 B Cl1.14 N8 O4.43 Zn -","- C65 H79.8642 B Cl1.1358 N8 O4.4321 Zn -","- C130 H159.728 B2 Cl2.2716 N16 O8.8642 Zn2 -","2","1","","Shultz, David A.; Kirk, Martin L.; Zhang, Jinyuan; Stasiw, Daniel Earl; Wang, Guangbin; Yang, Jing; Habel-Rodriguez, Diana; Stein, Benjamin W.; Sommer, Roger D.","Spectroscopic Signatures of Resonance Inhibition Reveal Differences in Donor-Bridge and Bridge-Acceptor Couplings.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00326","","","0.71073","MoKα","","0.0624","0.0393","","","0.0913","0.1011","","","","","","1.022","","","","has coordinates,has disorder","248615","2020-10-21","18:00:00",""
"4134301","8.4436","0.0016","11.21","0.002","22.265","0.004","90","","99.687","0.003","90","","2077.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 Cl4 Cu2 N8 -","- C42 H50 Cl4 Cu2 N8 -","- C84 H100 Cl8 Cu4 N16 -","2","0.5","","du Plessis, Marike; Nikolayenko, Varvara I.; Barbour, Leonard J.","Record-setting selectivity for p-xylene by an intrinsically porous 0D metallocycle.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11314","","","0.71073","MoKα","","0.1082","0.0568","","","0.1452","0.1616","","","","","","1.031","","","","has coordinates,has disorder","248616","2020-10-21","18:00:00",""
"4134302","8.4004","0.0017","10.908","0.002","22.526","0.005","90","","100.88","0.03","90","","2027","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 Cl4 Cu2 N8 -","- C42 H50 Cl4 Cu2 N8 -","- C84 H100 Cl8 Cu4 N16 -","2","0.5","","du Plessis, Marike; Nikolayenko, Varvara I.; Barbour, Leonard J.","Record-setting selectivity for p-xylene by an intrinsically porous 0D metallocycle.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11314","","","0.71073","MoKα","","0.0478","0.035","","","0.0738","0.0781","","","","","","1.085","","","","has coordinates","248617","2020-10-21","18:00:00",""
"4134303","26.1739","0.0014","26.1739","0.0014","31.8805","0.0018","90","","90","","90","","21840","2","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C122.73 H157.5 Cl1.23 D103.13 N50.47 O88.88 Pd6 -","- C122.736 H157.508 Cl1.228 N50.4704 O88.8324 Pd6 -","- C490.944 H630.032 Cl4.912 N201.882 O355.33 Pd24 -","4","0.25","","Dolgopolova, Ekaterina A.; Berseneva, Anna A.; Faillace, Martín S; Ejegbavwo, Otega A.; Leith, Gabrielle A.; Choi, Seok W.; Gregory, Haley N.; Rice, Allison M.; Smith, Mark D.; Chruszcz, Maksymilian; Garashchuk, Sophya; Mythreye, Karthikeyan; Shustova, Natalia B.","Confinement-Driven Photophysics in Cages, Covalent-Organic Frameworks, Metal-Organic Frameworks, and DNA.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13505","","x-ray","0.71073","MoKα","","0.0748","0.0523","","","0.1443","0.1654","","","","","","1.062","","","","has coordinates,has disorder","248652","2020-10-21","18:00:00",""
"4134304","12.9298","0.0006","4.9895","0.0002","20.3524","0.001","90","","93.496","0.003","90","","1310.56","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Dolgopolova, Ekaterina A.; Berseneva, Anna A.; Faillace, Martín S; Ejegbavwo, Otega A.; Leith, Gabrielle A.; Choi, Seok W.; Gregory, Haley N.; Rice, Allison M.; Smith, Mark D.; Chruszcz, Maksymilian; Garashchuk, Sophya; Mythreye, Karthikeyan; Shustova, Natalia B.","Confinement-Driven Photophysics in Cages, Covalent-Organic Frameworks, Metal-Organic Frameworks, and DNA.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13505","","x-ray","0.71073","MoKα","","0.0498","0.0398","","","0.0961","0.1022","","","","","","1.018","","","","has coordinates","248653","2020-10-21","18:00:00",""
"4134305","26.0645","0.0009","26.0645","0.0009","31.6937","0.0013","90","","90","","90","","21531.4","1.4","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C120 H154 Cl N38 O10.97 Pd6 -","- C120 H154 Cl N38 O10.968 Pd6 -","- C480 H616 Cl4 N152 O43.872 Pd24 -","4","0.25","","Dolgopolova, Ekaterina A.; Berseneva, Anna A.; Faillace, Martín S; Ejegbavwo, Otega A.; Leith, Gabrielle A.; Choi, Seok W.; Gregory, Haley N.; Rice, Allison M.; Smith, Mark D.; Chruszcz, Maksymilian; Garashchuk, Sophya; Mythreye, Karthikeyan; Shustova, Natalia B.","Confinement-Driven Photophysics in Cages, Covalent-Organic Frameworks, Metal-Organic Frameworks, and DNA.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13505","","","0.71073","MoKα","","0.0634","0.045","","","0.1196","0.1346","","","","","","1.027","","","","has coordinates,has disorder","248654","2020-10-21","18:00:00",""
"4134306","24.0073","0.0012","24.0073","0.0012","15.9595","0.0008","90","","90","","90","","9198.3","0.8","100","2","100","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C95.6 H70.57 N4.51 O41.03 Zr6 -","- C95.584 H70.56 N4.512 O41.024 Zr6 -","- C191.168 H141.12 N9.024 O82.048 Zr12 -","2","0.125","","Dolgopolova, Ekaterina A.; Berseneva, Anna A.; Faillace, Martín S; Ejegbavwo, Otega A.; Leith, Gabrielle A.; Choi, Seok W.; Gregory, Haley N.; Rice, Allison M.; Smith, Mark D.; Chruszcz, Maksymilian; Garashchuk, Sophya; Mythreye, Karthikeyan; Shustova, Natalia B.","Confinement-Driven Photophysics in Cages, Covalent-Organic Frameworks, Metal-Organic Frameworks, and DNA.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13505","","x-ray","0.71073","MoKα","","0.0906","0.0644","","","0.1685","0.1804","","","","","","1.086","","","","has coordinates,has disorder","248655","2020-10-21","18:00:00",""
"4134307","9.8035","0.0006","11.4779","0.0007","12.3921","0.0009","98.095","0.002","96.276","0.002","108.756","0.002","1289.3","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O5 -","- C14 H12 N2 O5 -","- C56 H48 N8 O20 -","4","2","","Dolgopolova, Ekaterina A.; Berseneva, Anna A.; Faillace, Martín S; Ejegbavwo, Otega A.; Leith, Gabrielle A.; Choi, Seok W.; Gregory, Haley N.; Rice, Allison M.; Smith, Mark D.; Chruszcz, Maksymilian; Garashchuk, Sophya; Mythreye, Karthikeyan; Shustova, Natalia B.","Confinement-Driven Photophysics in Cages, Covalent-Organic Frameworks, Metal-Organic Frameworks, and DNA.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13505","","x-ray","0.71073","MoKα","","0.0716","0.0482","","","0.1126","0.1235","","","","","","1.041","","","","has coordinates","248656","2020-10-21","18:00:00",""
"4134308","12.2494","0.0006","14.8757","0.0008","12.9755","0.0007","90","","96.736","0.002","90","","2348.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H40 Co P2 -","- C24 H40 Co P2 -","- C96 H160 Co4 P8 -","4","2","","Zhong, Hongyu; Shevlin, Michael; Chirik, Paul J.","Cobalt-Catalyzed Asymmetric Hydrogenation of α, β-Unsaturated Carboxylic Acids by Homolytic H2 Cleavage.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13876","","","0.71073","MoKα","","0.076","0.0477","","","0.08","0.0888","","","","","","1.062","","","","has coordinates","248657","2020-10-21","18:00:00",""
"4134309","13.6609","0.0008","36.865","0.002","16.0767","0.0009","90","","90.141","0.002","90","","8096.3","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H54 Co O4 P2 -","- C44 H54 Co O4 P2 -","- C352 H432 Co8 O32 P16 -","8","4","","Zhong, Hongyu; Shevlin, Michael; Chirik, Paul J.","Cobalt-Catalyzed Asymmetric Hydrogenation of α, β-Unsaturated Carboxylic Acids by Homolytic H2 Cleavage.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13876","","","0.71073","MoKα","","0.1374","0.0679","","","0.1066","0.1249","","","","","","1.022","","","","has coordinates,has disorder","248657","2020-10-21","18:00:00",""
"4134310","10.173","0.0005","17.9914","0.0009","20.5132","0.0011","90","","90","","90","","3754.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H62 Co O4 P2 -","- C36 H62 Co O4 P2 -","- C144 H248 Co4 O16 P8 -","4","1","","Zhong, Hongyu; Shevlin, Michael; Chirik, Paul J.","Cobalt-Catalyzed Asymmetric Hydrogenation of α, β-Unsaturated Carboxylic Acids by Homolytic H2 Cleavage.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13876","","","0.71073","MoKα","","0.0728","0.0444","","","0.0804","0.0891","","","","","","1.05","","","","has coordinates","248657","2020-10-21","18:00:00",""
"4134311","10.4017","0.0004","16.9632","0.0005","33.2921","0.001","90","","90","","90","","5874.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H46 Co O4 P2 -","- C26 H46 Co O4 P2 -","- C208 H368 Co8 O32 P16 -","8","2","","Zhong, Hongyu; Shevlin, Michael; Chirik, Paul J.","Cobalt-Catalyzed Asymmetric Hydrogenation of α, β-Unsaturated Carboxylic Acids by Homolytic H2 Cleavage.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13876","","","0.71073","MoKα","","0.0563","0.0416","","","0.0813","0.0958","","","","","","1.128","","","","has coordinates","248657","2020-10-21","18:00:00",""
"4134312","19.1159","0.0011","19.1159","0.0011","9.6917","0.0006","90","","90","","120","","3067","0.3","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C44 H60 Co O4 P2 -","- C44 H60 Co O4 P2 -","- C132 H180 Co3 O12 P6 -","3","1","","Zhong, Hongyu; Shevlin, Michael; Chirik, Paul J.","Cobalt-Catalyzed Asymmetric Hydrogenation of α, β-Unsaturated Carboxylic Acids by Homolytic H2 Cleavage.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13876","","","0.71073","MoKα","","0.1075","0.0791","","","0.1304","0.142","","","","","","1.073","","","","has coordinates","248657","2020-10-21","18:00:00",""
"4134313","12.5544","0.001","15.5553","0.0011","8.5423","0.0006","90","","102.753","0.008","90","","1627.1","0.2","143","2","143","2","","","","","","","","5","C 1 c 1","C -2yc","9","RM681","","","- C18 H14 I N O3 -","- C18 H14 I N O3 -","- C72 H56 I4 N4 O12 -","4","1","","Mayer, Robert J.; Ofial, Armin R.; Mayr, Herbert; Legault, Claude Y.","Lewis Acidity Scale of Diaryliodonium Ions toward Oxygen, Nitrogen, and Halogen Lewis Bases.","Journal of the American Chemical Society","2020","142","11","5221","5233","10.1021/jacs.9b12998","","","0.71073","MoKα","","0.0328","0.0272","","","0.0395","0.0421","","","","","","1.004","","","","has coordinates","250069","2020-10-21","18:00:00",""
"4134314","13.9493","0.0005","14.2632","0.0005","16.4732","0.0006","90","","101.861","0.001","90","","3207.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","RM686","","","- C19 H15 I O2 -","- C19 H15 I O2 -","- C152 H120 I8 O16 -","8","2","","Mayer, Robert J.; Ofial, Armin R.; Mayr, Herbert; Legault, Claude Y.","Lewis Acidity Scale of Diaryliodonium Ions toward Oxygen, Nitrogen, and Halogen Lewis Bases.","Journal of the American Chemical Society","2020","142","11","5221","5233","10.1021/jacs.9b12998","","","0.71073","MoKα","","0.0264","0.0193","","","0.037","0.0409","","","","","","1.11","","","","has coordinates","250069","2020-10-21","18:00:00",""
"4134315","16.1941","0.0006","13.2477","0.0004","16.5076","0.0004","90","","90","","90","","3541.45","0.19","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H29 B10 N O -","- C11 H29 B10 N O -","- C88 H232 B80 N8 O8 -","8","1","","Mills, Harrison A.; Martin, Joshua; Rheingold, Arnold L.; Spokoyny, Alexander M.","Oxidative Generation of Boron-Centered Radicals in Carboranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00300","","x-ray","0.71073","MoKα","","0.0635","0.0482","","","0.1177","0.1274","","","","","","1.051","","","","has coordinates","248660","2020-10-21","18:00:00",""
"4134316","13.2848","0.0013","17.384","0.002","14.224","0.003","90","","91.954","0.005","90","","3283","0.9","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H23 B11 O2 -","- C8 H23 B11 O2 -","- C64 H184 B88 O16 -","8","2","","Mills, Harrison A.; Martin, Joshua; Rheingold, Arnold L.; Spokoyny, Alexander M.","Oxidative Generation of Boron-Centered Radicals in Carboranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00300","","x-ray","0.71073","MoKα","","0.0832","0.0509","","","0.1152","0.1307","","","","","","1.015","","","","has coordinates","248661","2020-10-21","18:00:00",""
"4134317","13.1543","0.0005","16.221","0.0005","16.6984","0.0005","90","","90","","90","","3563","0.2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H29 B10 N O -","- C11 H29 B10 N O -","- C88 H232 B80 N8 O8 -","8","1","","Mills, Harrison A.; Martin, Joshua; Rheingold, Arnold L.; Spokoyny, Alexander M.","Oxidative Generation of Boron-Centered Radicals in Carboranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00300","","x-ray","1.54178","CuKα","","0.0522","0.0475","","","0.1303","0.136","","","","","","1.024","","","","has coordinates","248662","2020-10-21","18:00:00",""
"4134318","11.0668","0.0002","11.6755","0.0002","13.1623","0.0002","90","","91.092","0.001","90","","1700.4","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H23 B10 N -","- C11 H23 B10 N -","- C44 H92 B40 N4 -","4","1","","Mills, Harrison A.; Martin, Joshua; Rheingold, Arnold L.; Spokoyny, Alexander M.","Oxidative Generation of Boron-Centered Radicals in Carboranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00300","","x-ray","1.54178","CuKα","","0.048","0.0456","","","0.1213","0.1237","","","","","","1.099","","","","has coordinates","248663","2020-10-21","18:00:00",""
"4134319","16.4854","0.0006","9.7782","0.0004","19.2767","0.0007","90","","113.47","0.002","90","","2850.28","0.19","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H15 B10 N S -","- C9 H15 B10 N S -","- C72 H120 B80 N8 S8 -","8","2","","Mills, Harrison A.; Martin, Joshua; Rheingold, Arnold L.; Spokoyny, Alexander M.","Oxidative Generation of Boron-Centered Radicals in Carboranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00300","","x-ray","0.71073","MoKα","","0.0563","0.0446","","","0.1159","0.1256","","","","","","1.028","","","","has coordinates","248664","2020-10-21","18:00:00",""
"4134320","7.5013","0.0004","8.6517","0.0004","4.2142","0.0002","90","","90","","90","","273.5","0.02","300","2","300","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Ba0.5 F2 H O Te0.5 -","- Ba0.5 F2 H O Te0.5 -","- Ba2 F8 H4 O4 Te2 -","4","1","","Zhou, Jinjie; Wu, Hongping; Yu, Hongwei; Jiang, Shutong; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Halasyamani, P. Shiv","BaF<sub>2</sub>TeF<sub>2</sub>(OH)<sub>2</sub>: A UV Nonlinear Optical Fluorotellurite Material Designed by Band-Gap Engineering.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00702","","","0.71073","MoKα","","0.0201","0.02","","","0.0521","0.0522","","","","","","1.011","","","","has coordinates","248665","2020-10-21","18:00:00",""
"4134321","7.5394","0.0002","14.4953","0.0005","26.6114","0.0008","90","","90","","90","","2908.25","0.15","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C31 H37 N5 O5 -","- C31 H37 N5 O5 -","- C124 H148 N20 O20 -","4","1","","Li, Xing; Qiao, Jingsi; Chee, See Wee; Xu, Hai-Sen; Zhao, Xiaoxu; Choi, Hwa Seob; Yu, Wei; Quek, Su Ying; Mirsaidov, Utkur; Loh, Kian Ping","Rapid, Scalable Construction of Highly Crystalline Acylhydrazone Two-Dimensional Covalent Organic Frameworks via Dipole-Induced Antiparallel Stacking.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00553","","","1.54178","CuKα","","0.0598","0.0473","","","0.1142","0.1224","","","","","","1.028","","","","has coordinates","248666","2020-10-21","18:00:00",""
"4134322","27.5137","0.0008","13.8315","0.0005","7.3394","0.0002","90","","90","","90","","2793.05","0.15","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C31 H33 N5 O5 -","- C31 H33 N5 O5 -","- C124 H132 N20 O20 -","4","0.5","","Li, Xing; Qiao, Jingsi; Chee, See Wee; Xu, Hai-Sen; Zhao, Xiaoxu; Choi, Hwa Seob; Yu, Wei; Quek, Su Ying; Mirsaidov, Utkur; Loh, Kian Ping","Rapid, Scalable Construction of Highly Crystalline Acylhydrazone Two-Dimensional Covalent Organic Frameworks via Dipole-Induced Antiparallel Stacking.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00553","","","1.54178","CuKα","","0.0788","0.0684","","","0.1617","0.1667","","","","","","1.212","","","","has coordinates,has disorder","248667","2020-10-21","18:00:00",""
"4134323","12.4621","0.0006","4.6443","0.0002","33.9076","0.0018","90","","96.663","0.002","90","","1949.24","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 N4 O4 -","- C22 H22 N4 O4 -","- C88 H88 N16 O16 -","4","0.5","","Li, Xing; Qiao, Jingsi; Chee, See Wee; Xu, Hai-Sen; Zhao, Xiaoxu; Choi, Hwa Seob; Yu, Wei; Quek, Su Ying; Mirsaidov, Utkur; Loh, Kian Ping","Rapid, Scalable Construction of Highly Crystalline Acylhydrazone Two-Dimensional Covalent Organic Frameworks via Dipole-Induced Antiparallel Stacking.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00553","","","0.71073","MoKα","","0.0607","0.0535","","","0.1277","0.1322","","","","","","1.106","","","","has coordinates","248668","2020-10-21","18:00:00",""
"4134324","11.0677","0.0004","16.9032","0.0006","18.9507","0.0007","91.236","0.002","91.614","0.002","98.585","0.002","3503","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Et(CAAC)BeTempo","","","- C71 H124 Be2 N5 O3 -","- C71 H124 Be2 N5 O3 -","- C142 H248 Be4 N10 O6 -","2","1","","Wang, Guocang; Walley, Jacob E.; Dickie, Diane A.; Pan, Sudip; Frenking, Gernot; Gilliard, Jr, Robert J","A Stable, Crystalline Beryllium Radical Cation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13777","","","1.54178","CuKα","","0.0768","0.0591","","","0.1516","0.1669","","","","","","1.014","","","","has coordinates","248669","2020-10-21","18:00:00",""
"4134325","20.6387","0.0007","15.7843","0.0005","22.7926","0.0008","90","","99.54","0.001","90","","7322.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Be(I)BARF","","","- C76 H82 B Be F24.04 N2 -","- C76 H82 B Be F24.03 N2 -","- C304 H328 B4 Be4 F96.12 N8 -","4","1","","Wang, Guocang; Walley, Jacob E.; Dickie, Diane A.; Pan, Sudip; Frenking, Gernot; Gilliard, Jr, Robert J","A Stable, Crystalline Beryllium Radical Cation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13777","","","0.71073","MoKα","","0.1109","0.0637","","","0.1361","0.1596","","","","","","1.018","","","","has coordinates,has disorder","248669","2020-10-21","18:00:00",""
"4134326","17.902","0.002","21.874","0.003","20.278","0.003","90","","111.118","0.004","90","","7407.3","1.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C67 H86 B Be F24.01 N3 Na2 O5 -","- C67 H86 B Be F24.015 N3 Na2 O5 -","- C268 H344 B4 Be4 F96.06 N12 Na8 O20 -","4","1","","Wang, Guocang; Walley, Jacob E.; Dickie, Diane A.; Pan, Sudip; Frenking, Gernot; Gilliard, Jr, Robert J","A Stable, Crystalline Beryllium Radical Cation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13777","","","0.71073","MoKα","","0.1397","0.0626","","","0.1232","0.1522","","","","","","1.003","","","","has coordinates,has disorder","248669","2020-10-21","18:00:00",""
"4134327","11.8464","0.0006","15.1384","0.0007","21.7904","0.001","90","","90.911","0.002","90","","3907.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H132 Be2 K2 N6 O6 -","- C75 H132 Be2 K2 N6 O6 -","- C150 H264 Be4 K4 N12 O12 -","2","0.5","","Wang, Guocang; Walley, Jacob E.; Dickie, Diane A.; Pan, Sudip; Frenking, Gernot; Gilliard, Jr, Robert J","A Stable, Crystalline Beryllium Radical Cation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13777","","","0.71073","MoKα","","0.0578","0.0392","","","0.0937","0.1039","","","","","","1.023","","","","has coordinates,has disorder","248669","2020-10-21","18:00:00",""
"4134328","21.604","0.005","21.604","0.005","8.778","0.002","90","","90","","90","","4097","1.6","100","2","100","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C95 H134 Fe2 N6 -","- C95 H136 Fe2 N6 -","- C190 H272 Fe4 N12 -","2","0.25","","Joannou, Matthew V.; Hoyt, Jordan M.; Chirik, Paul J.","Investigations into the Mechanism of Inter- and Intramolecular Iron-Catalyzed [2+2] Cycloaddition of Alkenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00250","","","0.71073","MoKα","","0.0583","0.0462","","","0.0988","0.1046","","","","","","1.052","","","","has coordinates","248849","2020-10-21","18:00:00",""
"4134329","12.8735","0.0008","13.1302","0.0009","24.7514","0.0016","90","","103.465","0.002","90","","4068.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H64.5 Fe N3 -","- C49 H64.524 Fe N3 -","- C196 H258.096 Fe4 N12 -","4","1","","Joannou, Matthew V.; Hoyt, Jordan M.; Chirik, Paul J.","Investigations into the Mechanism of Inter- and Intramolecular Iron-Catalyzed [2+2] Cycloaddition of Alkenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00250","","","0.71073","MoKα","","0.0781","0.0516","","","0.1298","0.1451","","","","","","1.052","","","","has coordinates,has disorder","248849","2020-10-21","18:00:00",""
"4134330","15.707","0.005","11.802","0.005","21.158","0.005","90","","111.55","0.005","90","","3648","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H53 Fe N5 -","- C41 H53 Fe N5 -","- C164 H212 Fe4 N20 -","4","1","","Joannou, Matthew V.; Hoyt, Jordan M.; Chirik, Paul J.","Investigations into the Mechanism of Inter- and Intramolecular Iron-Catalyzed [2+2] Cycloaddition of Alkenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00250","","","1.54184","CuKα","","0.0685","0.0572","","","0.1464","0.1522","","","","","","1.09","","","","has coordinates","248849","2020-10-21","18:00:00",""
"4134331","7.9528","0.0007","9.0316","0.0017","18.0753","0.0017","90","","94.632","0.003","90","","1294","0.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N6 -","- C30 H28 N6 -","- C60 H56 N12 -","2","0.5","","Peterson, Joshua P.; Ellern, Arkady; Winter, Arthur H.","Spin Delocalization, Polarization, and London Dispersion Forces Govern the Formation of Diradical Pimers.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00190","","","1.54184","CuKα","","0.0404","0.0396","","","0.1059","0.1068","","","","","","1.012","","","","has coordinates","248852","2020-10-21","18:00:00",""
"4134332","7.2535","0.0002","7.5984","0.0002","9.1524","0.0002","73.7","0.001","88.894","0.002","65.047","0.002","436.11","0.02","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H14 N4 O2 -","- C22 H14 N4 O2 -","- C22 H14 N4 O2 -","1","0.5","","Peterson, Joshua P.; Ellern, Arkady; Winter, Arthur H.","Spin Delocalization, Polarization, and London Dispersion Forces Govern the Formation of Diradical Pimers.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00190","","","1.54178","CuKα","","0.0411","0.038","","","0.1386","0.1427","","","","","","1.221","","","","has coordinates","248854","2020-10-21","18:00:00",""
"4134333","7.628","0.0003","10.0861","0.0003","10.2848","0.0003","74.527","0.002","74.067","0.002","76.732","0.002","722.8","0.04","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H28 N6 -","- C35 H20 N6 -","- C35 H20 N6 -","1","0.5","","Peterson, Joshua P.; Ellern, Arkady; Winter, Arthur H.","Spin Delocalization, Polarization, and London Dispersion Forces Govern the Formation of Diradical Pimers.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00190","","","1.54178","CuKα","","0.0514","0.0467","","","0.1793","0.1893","","","","","","1.019","","","","has coordinates,has disorder","248856","2020-10-21","18:00:00",""
"4134334","33.6744","0.0015","9.5767","0.0004","19.9789","0.0009","90","","94.5214","0.001","90","","6422.9","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 F6 N5 O9 P3 Ru -","- C25 H28 F6 N5 O9 P3 Ru -","- C200 H224 F48 N40 O72 P24 Ru8 -","8","1","","Vereshchuk, Nataliia; Matheu, Roc; Benet-Buchholz, Jordi; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Tessier, Arnaud; Gimbert-Suriñach, Carolina; Ertem, Mehmed Z.; Llobet, Antoni","Second Coordination Sphere Effects in an Evolved Ru Complex Based on a Highly Adaptable Ligand Results in Rapid Water Oxidation Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11935","","","0.71073","MoKα","","0.048","0.0324","","","0.0711","0.0857","","","","","","1.068","","","","has coordinates","248858","2020-10-21","18:00:00",""
"4134335","15.8725","0.001","17.094","0.001","17.9384","0.0011","63.2183","0.0012","67.7101","0.0015","71.53","0.0014","3957.1","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H39 Cs3 N5 O16.5 P2 Ru -","- C26 H39 Cs2.9997 N5 O16.5 P2 Ru -","- C104 H156 Cs11.9988 N20 O66 P8 Ru4 -","4","2","","Vereshchuk, Nataliia; Matheu, Roc; Benet-Buchholz, Jordi; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Tessier, Arnaud; Gimbert-Suriñach, Carolina; Ertem, Mehmed Z.; Llobet, Antoni","Second Coordination Sphere Effects in an Evolved Ru Complex Based on a Highly Adaptable Ligand Results in Rapid Water Oxidation Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11935","","","0.71073","MoKα","","0.0624","0.0429","","","0.0971","0.1053","","","","","","1.043","","","","has coordinates,has disorder","248860","2020-10-21","18:00:00",""
"4134336","10.7907","0.0007","10.7907","0.0007","10.5055","0.0007","90","","90","","120","","1059.37","0.12","100","","100","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ir2 K3 O6 -","- Ir2 K3 O6 -","- Ir12 K18 O36 -","6","0.333333","","Guo, Shu; Zhong, Ruidan; Wang, Wei; Tao, Jing; Ni, Danrui; Cava, Robert J.","K<sub>3</sub>Ir<sub>2</sub>O<sub>6</sub> and K<sub>16.3</sub>Ir<sub>8</sub>O<sub>30</sub>, Low dimensional Iridates with Infinite IrO<sub>6</sub> Chains.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00849","","x-ray","0.71073","MoKα","","0.0295","0.0175","","","0.0314","0.0344","","","","","","1.062","","","","has coordinates","248862","2020-10-21","18:00:00",""
"4134337","10.8202","0.0006","10.8202","0.0006","10.5416","0.0006","90","","90","","120","","1068.83","0.1","290","","290","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ir2 K3 O6 -","- Ir2 K3 O6 -","- Ir12 K18 O36 -","6","0.333333","","Guo, Shu; Zhong, Ruidan; Wang, Wei; Tao, Jing; Ni, Danrui; Cava, Robert J.","K<sub>3</sub>Ir<sub>2</sub>O<sub>6</sub> and K<sub>16.3</sub>Ir<sub>8</sub>O<sub>30</sub>, Low dimensional Iridates with Infinite IrO<sub>6</sub> Chains.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00849","","x-ray","0.71073","MoKα","","0.0423","0.0195","","","0.0357","0.041","","","","","","1.083","","","","has coordinates","248863","2020-10-21","18:00:00",""
"4134338","5.8793","0.0003","19.4968","0.0009","15.2856","0.0007","90","","90","","90","","1752.15","0.14","290","","290","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ir8 K16.28 O30 -","- Ir8 K16.28 O30 -","- Ir16 K32.56 O60 -","2","0.125","","Guo, Shu; Zhong, Ruidan; Wang, Wei; Tao, Jing; Ni, Danrui; Cava, Robert J.","K<sub>3</sub>Ir<sub>2</sub>O<sub>6</sub> and K<sub>16.3</sub>Ir<sub>8</sub>O<sub>30</sub>, Low dimensional Iridates with Infinite IrO<sub>6</sub> Chains.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00849","","x-ray","0.71073","MoKα","","0.0296","0.0235","","","0.0554","0.0569","","","","","","1.184","","","","has coordinates","248864","2020-10-21","18:00:00",""
"4134339","10.3447","0.0004","11.486","0.0004","17.3882","0.0006","104.29","0.002","94.193","0.002","112.848","0.002","1811.71","0.12","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 F12 N9 P2 -","- C26 H27 F12 N9 P2 -","- C52 H54 F24 N18 P4 -","2","1","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","0.71073","MoKα","","0.0603","0.0516","","","0.1356","0.1422","","","","","","1.039","","","","has coordinates,has disorder","249081","2020-10-21","18:00:00",""
"4134340","10.4662","0.0005","11.0351","0.0005","17.4251","0.0008","74.161","0.0015","78.635","0.0015","65.16","0.001","1749.15","0.14","100","2","100.04","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H60 F24 N12 P4 -","- C72 H60 F24 N12 P4 -","- C72 H60 F24 N12 P4 -","1","0.5","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","1.54178","CuKα","","0.0457","0.0454","","","0.119","0.1191","","","","","","1.0535","","","","has coordinates,has disorder","249082","2020-10-21","18:00:00",""
"4134341","16.1323","0.0005","11.4829","0.0004","30.2137","0.0009","90","","101.49","0.002","90","","5484.8","0.3","100","2","100.04","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 F18 N12 P3 -","- C40 H40 F18 N12 P3 -","- C160 H160 F72 N48 P12 -","4","0.5","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","1.54178","CuKα","","0.0444","0.0405","","","0.106","0.1091","","","","","","1.059","","","","has coordinates,has disorder","249083","2020-10-21","18:00:00",""
"4134342","10.4268","0.0005","11.1641","0.0005","17.3653","0.0008","74.541","0.003","80.014","0.003","63.639","0.002","1742.14","0.14","102","2","101.92","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H58 F24 N12 P4 -","- C68 H58 F24 N12 P4 -","- C68 H58 F24 N12 P4 -","1","0.5","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","0.71073","MoKα","","0.0761","0.0609","","","0.1598","0.1699","","","","","","1.046","","","","has coordinates","249084","2020-10-21","18:00:00",""
"4134343","13.3898","0.0004","14.5809","0.0004","15.0625","0.0004","106.741","0.001","99.533","0.001","110.092","0.001","2527.68","0.13","100","2","99.97","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H39 F24 N9 P4 -","- C46 H39 F24 N9 P4 -","- C92 H78 F48 N18 P8 -","2","1","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","1.54178","CuKα","","0.0675","0.0607","","","0.1629","0.1704","","","","","","1.054","","","","has coordinates,has disorder","249085","2020-10-21","18:00:00",""
"4134344","7.8767","0.0006","9.0304","0.0008","14.5443","0.0012","75.627","0.004","82.233","0.004","82.011","0.004","986.95","0.14","100","2","100.06","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 F12 N6 P2 -","- C14 H14 F12 N6 P2 -","- C28 H28 F24 N12 P4 -","2","1","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","1.54178","CuKα","","0.0282","0.0277","","","0.0711","0.0714","","","","","","1.056","","","","has coordinates","249086","2020-10-21","18:00:00",""
"4134345","10.8276","0.0008","13.2652","0.0009","13.6121","0.001","81.996","0.003","89.523","0.003","67.586","0.003","1787.7","0.2","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 F24 N16 P4 -","- C68 H56 F24 N16 P4 -","- C68 H56 F24 N16 P4 -","1","0.5","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","1.54178","CuKα","","0.0523","0.0507","","","0.1388","0.1403","","","","","","1.069","","","","has coordinates","249087","2020-10-21","18:00:00",""
"4134346","17.462","0.0007","20.4049","0.0007","19.1126","0.0007","90","","90.954","0.002","90","","6809.1","0.4","100","2","100.05","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H53 F24 N19 P4 -","- C54 H53 F24 N19 P4 -","- C216 H212 F96 N76 P16 -","4","1","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","1.54178","CuKα","","0.0764","0.0628","","","0.1657","0.177","","","","","","1.045","","","","has coordinates","249088","2020-10-21","18:00:00",""
"4134347","10.8605","0.0004","13.1591","0.0005","13.4694","0.0005","81.307","0.002","87.8564","0.0018","67.7952","0.0017","1761.33","0.12","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H54 F24 N16 P4 -","- C64 H54 F24 N16 P4 -","- C64 H54 F24 N16 P4 -","1","0.5","","Guo, Qing-Hui; Zhou, Jiawang; Mao, Haochuan; Qiu, Yunyan; Nguyen, Minh T.; Feng, Yuanning; Liang, Jiaqi; Shen, Dengke; Li, Penghao; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser","TetrazineBox: A Structurally Transformative ToolBox.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01114","","","1.54178","CuKα","","0.0689","0.0644","","","0.1789","0.1839","","","","","","1.03","","","","has coordinates,has disorder","249089","2020-10-21","18:00:00",""
"4134348","8.0722","0.0004","11.6849","0.0005","19.3159","0.0009","90","","90","","90","","1821.93","0.15","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","KMK-20190730","","","- C23 H21 B N2 O -","- C23 H21 B N2 O -","- C92 H84 B4 N8 O4 -","4","1","","Shirbhate, Mukesh Eknath; Kwon, Seongyeon; Song, Ayoung; Kim, Seungha; Kim, Dayeh; Huang, Haofei; Kim, Youngmee; Lee, Hanna; Kim, Sung-Jin; Baik, Mu-Hyun; Yoon, Juyoung; Kim, Kwan Mook","Optical and Fluorescent Dual Sensing of Aminoalcohols by in situ Generation of BODIPY-like Chromophore.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13232","","","0.71073","MoKα","","0.0643","0.041","","","0.0849","0.0958","","","","","","1.039","","","","has coordinates","249090","2020-10-21","18:00:00",""
"4134349","8.618","0.0003","8.9275","0.0003","15.835","0.0005","90","","95.723","0.002","90","","1212.23","0.07","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Cl2 I4 N2 Pb -","- C14 H18 Cl2 I4 N2 Pb -","- C28 H36 Cl4 I8 N4 Pb2 -","2","1","","Schmitt, Tanja; Bourelle, Sean; Tye, Nathaniel; Soavi, Giancarlo; Bond, Andrew D.; Feldmann, Sascha; Traore, Boubacar; Katan, Claudine; Even, Jacky; Dutton, Siân E; Deschler, Felix","Control of crystal symmetry breaking with halogen substituted benzylammonium in layered hybrid metal-halide perovskites.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11809","","","1.54178","CuKα","","0.0781","0.0698","","","0.2005","0.2107","","","","","","1.033","","","","has coordinates","249140","2020-10-21","18:00:00",""
"4134350","9.1437","0.0002","8.6684","0.0002","28.5984","0.0005","90","","90","","90","","2266.74","0.08","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 I4 N2 Pb -","- C14 H20 I4 N2 Pb -","- C56 H80 I16 N8 Pb4 -","4","0.5","","Schmitt, Tanja; Bourelle, Sean; Tye, Nathaniel; Soavi, Giancarlo; Bond, Andrew D.; Feldmann, Sascha; Traore, Boubacar; Katan, Claudine; Even, Jacky; Dutton, Siân E; Deschler, Felix","Control of crystal symmetry breaking with halogen substituted benzylammonium in layered hybrid metal-halide perovskites.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11809","","","0.71073","MoKα","","0.0435","0.029","","","0.0523","0.0561","","","","","","1.048","","","","has coordinates","249141","2020-10-21","18:00:00",""
"4134351","8.6328","0.0002","8.9483","0.0002","15.9326","0.0004","90","","95.5588","0.0012","90","","1224.99","0.05","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Br2 I4 N2 Pb -","- C14 H18 Br2 I4 N2 Pb -","- C28 H36 Br4 I8 N4 Pb2 -","2","1","","Schmitt, Tanja; Bourelle, Sean; Tye, Nathaniel; Soavi, Giancarlo; Bond, Andrew D.; Feldmann, Sascha; Traore, Boubacar; Katan, Claudine; Even, Jacky; Dutton, Siân E; Deschler, Felix","Control of crystal symmetry breaking with halogen substituted benzylammonium in layered hybrid metal-halide perovskites.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11809","","","1.54178","CuKα","","0.0631","0.0583","","","0.1523","0.1576","","","","","","1.022","","","","has coordinates","249142","2020-10-21","18:00:00",""
"4134352","8.7325","0.0002","9.2819","0.0002","27.724","0.0006","90","","97.7423","0.0009","90","","2226.66","0.09","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 F2 I4 N2 Pb -","- C14 H18 F2 I4 N2 Pb -","- C56 H72 F8 I16 N8 Pb4 -","4","1","","Schmitt, Tanja; Bourelle, Sean; Tye, Nathaniel; Soavi, Giancarlo; Bond, Andrew D.; Feldmann, Sascha; Traore, Boubacar; Katan, Claudine; Even, Jacky; Dutton, Siân E; Deschler, Felix","Control of crystal symmetry breaking with halogen substituted benzylammonium in layered hybrid metal-halide perovskites.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11809","","","0.71073","MoKα","","0.093","0.0472","","","0.0903","0.1044","","","","","","0.996","","","","has coordinates","249143","2020-10-21","18:00:00",""
"4134353","10.73","0.002","11.645","0.003","17.343","0.003","92.598","0.007","95.124","0.007","109.713","0.008","2025.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","18085-ScL3","","","- C39 H63 N3 P3 Sc -","- C39 H63 N3 P3 Sc -","- C78 H126 N6 P6 Sc2 -","2","1","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0476","0.0344","","","0.0725","0.0775","","","","","","1.03","","","","has coordinates","249144","2020-10-21","18:00:00",""
"4134354","10.7947","0.0009","11.3362","0.0011","18.6897","0.0019","91.847","0.003","92.356","0.002","117.344","0.002","2026.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","18085-YL3","","","- C39 H63 N3 P3 Y -","- C39 H63 N3 P3 Y -","- C78 H126 N6 P6 Y2 -","2","1","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0544","0.0399","","","0.0917","0.0966","","","","","","1.073","","","","has coordinates","249144","2020-10-21","18:00:00",""
"4134355","10.4219","0.0003","11.1063","0.0003","19.6256","0.0006","83.95","0.001","82.092","0.001","65.724","0.001","2048.08","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","19027-La","","","- C39 H63 La N3 P3 -","- C39 H63 La N3 P3 -","- C78 H126 La2 N6 P6 -","2","1","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0245","0.0209","","","0.0459","0.0482","","","","","","1.052","","","","has coordinates,has disorder","249144","2020-10-21","18:00:00",""
"4134356","13.807","0.005","13.807","0.005","25.285","0.009","90","","90","","120","","4174","3","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","18083-Ni(LiL)3","","","- C39 H63 Li3 N3 Ni P3 -","- C39 H63 Li3 N3 Ni P3 -","- C156 H252 Li12 N12 Ni4 P12 -","4","0.333333","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0572","0.038","","","0.075","0.0814","","","","","","1.1","","","","has coordinates","249144","2020-10-21","18:00:00",""
"4134357","14.7276","0.0006","14.7276","0.0006","34.9107","0.0017","90","","90","","120","","6557.7","0.5","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","17066-NiScL3","","","- C39 H63 N3 Ni P3 Sc -","- C39 H63 N3 Ni P3 Sc -","- C234 H378 N18 Ni6 P18 Sc6 -","6","0.333333","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0493","0.0348","","","0.0794","0.086","","","","","","1.017","","","","has coordinates","249144","2020-10-21","18:00:00",""
"4134358","12.8967","0.0005","14.0478","0.0005","25.5457","0.0009","90","","95.017","0.001","90","","4610.4","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","17165-NiYL3","","","- C46 H71 N3 Ni P3 Y -","- C46 H71 N3 Ni P3 Y -","- C184 H284 N12 Ni4 P12 Y4 -","4","1","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.1066","0.0465","","","0.0753","0.0891","","","","","","1.005","","","","has coordinates,has disorder","249144","2020-10-21","18:00:00",""
"4134359","20.8114","0.0005","20.8114","0.0005","20.8114","0.0005","90","","90","","90","","9013.7","0.4","125","2","125","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","19023-NiLa","","","- C39 H63 La N3 Ni P3 -","- C39 H63 La N3 Ni P3 -","- C312 H504 La8 N24 Ni8 P24 -","8","0.333333","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0382","0.0301","","","0.0613","0.0657","","","","","","1.21","","","","has coordinates","249144","2020-10-21","18:00:00",""
"4134360","21.2562","0.0012","10.018","0.0006","39.979","0.002","90","","90.336","0.002","90","","8513.2","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","19023-NiLa_monoclinic","","","- C42.5 H67 La N3 Ni P3 -","- C42.5 H67 La N3 Ni P3 -","- C340 H536 La8 N24 Ni8 P24 -","8","1","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0327","0.0248","","","0.0455","0.0486","","","","","","1.118","","","","has coordinates,has disorder","249144","2020-10-21","18:00:00",""
"4134361","12.6","0.008","18.048","0.007","19.885","0.007","65.539","0.006","88.58","0.02","79.34","0.02","4038","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","18007-NiGaL3","","","- C39 H63 Ga N3 Ni P3 -","- C39 H63 Ga N3 Ni P3 -","- C156 H252 Ga4 N12 Ni4 P12 -","4","2","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0557","0.0336","","","0.0738","0.0822","","","","","","1.015","","","","has coordinates","249144","2020-10-21","18:00:00",""
"4134362","19.7163","0.0005","11.118","0.0003","49.2039","0.0013","90","","98.286","0.001","90","","10673.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","18088-DPA-NiYL3","","","- C53 H73 N3 Ni P3 Y -","- C53 H73 N3 Ni P3 Y -","- C424 H584 N24 Ni8 P24 Y8 -","8","2","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0591","0.0426","","","0.0838","0.089","","","","","","1.069","","","","has coordinates,has disorder","249144","2020-10-21","18:00:00",""
"4134363","10.9384","0.0004","12.4594","0.0004","20.0961","0.0007","93.422","0.001","92.566","0.001","114.571","0.001","2479.05","0.15","126","2","126","2","","","","","","","","7","P -1","-P 1","2","17034_NiYL3THF","","","- C43 H71 N3 Ni O P3 Y -","- C43 H71 N3 Ni O P3 Y -","- C86 H142 N6 Ni2 O2 P6 Y2 -","2","1","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0465","0.0287","","","0.0626","0.0674","","","","","","1.024","","","","has coordinates,has disorder","249144","2020-10-21","18:00:00",""
"4134364","12.0579","0.0003","6.4915","0.0002","13.4589","0.0004","90","","108.766","0.003","90","","997.48","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H15 Cl I N O -","- C7 H15 Cl I N O -","- C28 H60 Cl4 I4 N4 O4 -","4","1","","Prusinowski, Allen F.; Twumasi, Raymond K.; Wappes, Ethan A.; Nagib, David A.","<i>Vicinal</i>, Double C-H Functionalization of Alcohols via an Imidate Radical-Polar Crossover Cascade.","Journal of the American Chemical Society","2020","142","11","5429","5438","10.1021/jacs.0c01318","","","0.71073","MoKα","","0.0224","0.0211","","","0.0542","0.0548","","","","","","1.056","","","","has coordinates","250071","2020-10-21","18:00:00",""
"4134365","5.7822","0.0005","14.207","0.0011","26.733","0.002","90","","90","","90","","2196.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O6 -","- C24 H34 O6 -","- C96 H136 O24 -","4","1","","Wang, Yu; Chen, Bo; He, Xubiao; Gui, Jinghan","Bioinspired Synthesis of Nortriterpenoid Propindilactone G.","Journal of the American Chemical Society","2020","142","11","5007","5012","10.1021/jacs.0c00363","","","1.54178","CuKα","","0.093","0.0805","","","0.2093","0.227","","","","","","1.037","","","","has coordinates","250072","2020-10-21","18:00:00",""
"4134366","6.221","0.0004","18.4005","0.0011","20.3992","0.0015","90","","90","","90","","2335.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 O7 -","- C24 H38 O7 -","- C96 H152 O28 -","4","1","","Wang, Yu; Chen, Bo; He, Xubiao; Gui, Jinghan","Bioinspired Synthesis of Nortriterpenoid Propindilactone G.","Journal of the American Chemical Society","2020","142","11","5007","5012","10.1021/jacs.0c00363","","","1.54178","CuKα","","0.1384","0.0667","","","0.1709","0.2302","","","","","","1.044","","","","has coordinates","250072","2020-10-21","18:00:00",""
"4134367","16.6714","0.0007","18.9511","0.0008","8.8285","0.0004","90","","96.389","0.002","90","","2772","0.2","112","1","112","1","","","","","","","see text","5","C 1 c 1","C -2yc","9","Lain33_nnBuDiPyNaph","N,N'-(n-butyl)-1,8-di(pyrid-4-ylium)naphtalene bis(hexafluorophosphate)","","- C26 H25 F12 N3 P2 -","- C26 H25 F12 N3 P2 -","- C104 H100 F48 N12 P8 -","4","1","","Gosset, Alexis; Wilbraham, Liam; Lachmanova, Stepanka Novakova; Sokolova, Romana; Dupeyre, Grégory; Tuyèras, Fabien; Ochsenbein, Philippe; Perruchot, Christian; Jacquot de Rouville, Henri-Pierre; Randriamahazaka, Hyacinthe; Pospisil, Lubomir; Ciofini, Ilaria; Hromadová, Magdaléna; Lainé, Philippe P","Electron Storage System Based on a Two-Way Inversion of Redox Potentials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12762","","x-ray","1.54178","CuKα","","0.0275","0.0271","","","0.0724","0.0727","","","","","","1.134","","","","has coordinates","249205","2020-10-21","18:00:00",""
"4134368","27.9293","0.0013","10.4396","0.0005","18.2519","0.0008","90","","90","","90","","5321.7","0.4","113","1","113","1","","","","","","","see text","5","P n a 21","P 2c -2n","33","1,8-di(N-methylpyrid-4-ylium)naphthalene hexafluorophosphate","1,8-di(N-methylpyrid-4-ylium)naphthalene hexafluorophosphate","","- C24 H23 F12 N3 P2 -","- C24 H23 F12 N3 P2 -","- C192 H184 F96 N24 P16 -","8","2","","Gosset, Alexis; Wilbraham, Liam; Lachmanova, Stepanka Novakova; Sokolova, Romana; Dupeyre, Grégory; Tuyèras, Fabien; Ochsenbein, Philippe; Perruchot, Christian; Jacquot de Rouville, Henri-Pierre; Randriamahazaka, Hyacinthe; Pospisil, Lubomir; Ciofini, Ilaria; Hromadová, Magdaléna; Lainé, Philippe P","Electron Storage System Based on a Two-Way Inversion of Redox Potentials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12762","","x-ray","0.71073","MoKα","","0.0545","0.0471","","","0.1452","0.1538","","","","","","1.672","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4134369","12.6866","0.0005","8.5079","0.0004","18.5222","0.0008","90","","99.9723","0.0008","90","","1969.01","0.15","113","1","113","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","1-phenyl-8-(N-methylpyrid-4-ylium)naphthalene hexafluorophosphate","1-phenyl-8-(N-methylpyrid-4-ylium)naphthalene hexafluorophosphate","","- C22 H18 F6 N P -","- C22 H18 F6 N P -","- C88 H72 F24 N4 P4 -","4","1","","Gosset, Alexis; Wilbraham, Liam; Lachmanova, Stepanka Novakova; Sokolova, Romana; Dupeyre, Grégory; Tuyèras, Fabien; Ochsenbein, Philippe; Perruchot, Christian; Jacquot de Rouville, Henri-Pierre; Randriamahazaka, Hyacinthe; Pospisil, Lubomir; Ciofini, Ilaria; Hromadová, Magdaléna; Lainé, Philippe P","Electron Storage System Based on a Two-Way Inversion of Redox Potentials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12762","","x-ray","0.71073","MoKα","","0.0674","0.0532","","","0.1439","0.1593","","","","","","1.262","","","","has coordinates","249207","2020-10-21","18:00:00",""
"4134370","11.02997","0.00009","5.8365","0.00006","21.1485","0.0002","90","","92.4068","0.0008","90","","1360.26","0.02","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C64 H64 O8 S4 -","4","1","","Ociepa, Micha; Wierzba, Aleksandra J.; Turkowska, Joanna; Gryko, Dorota","Polarity-Reversal Strategy for Functionalization of Electrophilic Strained Molecules via Light-Driven Cobalt Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00245","","","1.54184","","","0.0323","0.0315","","","","0.0836","","","","","","1.0347","","","","has coordinates","249208","2020-10-21","18:00:00",""
"4134371","9.5732","0.0002","12.8414","0.0003","13.5828","0.0002","95.53","0.002","105.779","0.002","100.114","0.002","1563.48","0.06","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C62 H84 Cl Co N4 O20 S -","- C62 H84 Cl Co N4 O20 S -","- C62 H84 Cl Co N4 O20 S -","1","1","","Ociepa, Micha; Wierzba, Aleksandra J.; Turkowska, Joanna; Gryko, Dorota","Polarity-Reversal Strategy for Functionalization of Electrophilic Strained Molecules via Light-Driven Cobalt Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00245","","","0.71073","MoKα","","0.0343","0.0315","","","0.0716","0.0734","","","","","","1.019","","","","has coordinates","249209","2020-10-21","18:00:00",""
"4134372","13.2381","0.0011","13.2381","0.0011","4.0646","0.0003","90","","90","","90","","712.31","0.1","200","2","200","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Cs Cu5 Se3 -","- Cs Cu5 Se3 -","- Cs4 Cu20 Se12 -","4","0.25","","Ma, Ni; Li, Yan-Yan; Chen, Ling; Wu, Li-Ming","α-CsCu<sub>5</sub>Se<sub>3</sub>: Discovery of a Low-Cost Bulk Selenide with High Thermoelectric Performance.","Journal of the American Chemical Society","2020","142","11","5293","5303","10.1021/jacs.0c00062","","","0.71073","MoKα","","0.0872","0.0653","","","0.1351","0.1435","","","","","","1.232","","","","has coordinates","250068","2020-10-21","18:00:00",""
"4134373","13.2692","0.0007","13.2692","0.0007","4.0748","0.0003","90","","90","","90","","717.46","0.08","293","2","293","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Cs Cu5 Se3 -","- Cs Cu5 Se3 -","- Cs4 Cu20 Se12 -","4","0.25","","Ma, Ni; Li, Yan-Yan; Chen, Ling; Wu, Li-Ming","α-CsCu<sub>5</sub>Se<sub>3</sub>: Discovery of a Low-Cost Bulk Selenide with High Thermoelectric Performance.","Journal of the American Chemical Society","2020","142","11","5293","5303","10.1021/jacs.0c00062","","","0.71073","MoKα","","0.0549","0.0468","","","0.1173","0.1237","","","","","","1.079","","","","has coordinates","250068","2020-10-21","18:00:00",""
"4134374","13.2026","0.0012","13.2026","0.0012","4.0499","0.0003","90","","90","","90","","705.93","0.1","100","2","100","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Cs Cu5 Se3 -","- Cs Cu5 Se3 -","- Cs4 Cu20 Se12 -","4","0.25","","Ma, Ni; Li, Yan-Yan; Chen, Ling; Wu, Li-Ming","α-CsCu<sub>5</sub>Se<sub>3</sub>: Discovery of a Low-Cost Bulk Selenide with High Thermoelectric Performance.","Journal of the American Chemical Society","2020","142","11","5293","5303","10.1021/jacs.0c00062","","","0.71073","MoKα","","0.0717","0.0518","","","0.0941","0.1042","","","","","","1.124","","","","has coordinates","250068","2020-10-21","18:00:00",""
"4134375","12.723","0.003","12.723","0.003","25.81","0.007","90","","90","","120","","3618.2","1.6","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H50 Cu6 N6 O34.47 S8 -","- C12 H50 Cu6 N6 O34.474 S8 -","- C36 H150 Cu18 N18 O103.422 S24 -","3","0.166667","","Sorolla, 2nd, Maurice; Wang, Xiqu; Koo, Hyun-Joo; Whangbo, Myung-Hwan; Jacobson, Allan J.","Synthesis of the Elusive <i>S</i> = <sup>1</sup>/<sub>2</sub> Star Structure: A Possible Quantum Spin Liquid Candidate.","Journal of the American Chemical Society","2020","142","11","5013","5016","10.1021/jacs.0c00901","","","0.71073","MoKα","","0.0288","0.0258","","","0.0686","0.0699","","","","","","1.223","","","","has coordinates,has disorder","250070","2020-10-21","18:00:00",""
"4134376","32.134","0.005","5.583","0.0004","20.509","0.003","90","","109.643","0.007","90","","3465.3","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Marek147 (Veeru)","","","- C18 H25 F O2 -","- C18 H25 F O2 -","- C144 H200 F8 O16 -","8","1","","Lanke, Veeranjaneyulu; Marek, Ilan","Nucleophilic Substitution at Quaternary Carbon Stereocenters.","Journal of the American Chemical Society","2020","142","12","5543","5548","10.1021/jacs.0c01133","","","0.71073","MoKα","","0.161","0.0827","","","0.1537","0.1804","","","","","","1.057","","","","has coordinates","250081","2020-10-21","18:00:00",""
"4134377","5.893","0.004","9.976","0.007","13.552","0.006","108.412","0.002","94.764","0.001","104.611","0.003","719.9","0.8","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Marek155b (Veeru)","","","- C30 H44 F2 O4 -","- C30 H44 F2 O4 -","- C30 H44 F2 O4 -","1","0.5","","Lanke, Veeranjaneyulu; Marek, Ilan","Nucleophilic Substitution at Quaternary Carbon Stereocenters.","Journal of the American Chemical Society","2020","142","12","5543","5548","10.1021/jacs.0c01133","","","0.71073","MoKα","","0.0822","0.051","","","0.1196","0.1332","","","","","","1.017","","","","has coordinates","250081","2020-10-21","18:00:00",""
"4134378","8.8382","0.0007","15.3641","0.0016","28.9948","0.0019","92.772","0.006","97.63","0.003","96.14","0.004","3872.2","0.6","152","2","152.1","","","","","","","","","6","P -1","-P 1","2","","","","- C168 H198 Cl4 Ge4 N16 O -","- C168 H198 Cl4 Ge4 N16 O -","- C168 H198 Cl4 Ge4 N16 O -","1","0.5","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.71073","MoKα","","0.1007","0.0838","","","0.197","0.2073","","","","","","1.071","","","","has coordinates,has disorder","250073","2020-10-21","18:00:00",""
"4134379","8.939","0.0018","17.513","0.004","26.736","0.005","90","","97.91","0.03","90","","4145.7","1.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H46 Cl4 Ge2 N4 -","- C41 H46 Cl4 Ge2 N4 -","- C164 H184 Cl16 Ge8 N16 -","4","1","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.68879","synchrotron","","0.0738","0.0705","","","0.2508","0.2576","","","","","","1.017","","","","has coordinates","250073","2020-10-21","18:00:00",""
"4134380","9.0522","0.0006","12.8275","0.0009","25.9222","0.0019","85.175","0.003","82.476","0.003","78.104","0.003","2914.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H50 Cl12 Ge N4 O4 -","- C55 H50 Cl12 Ge N4 O4 -","- C110 H100 Cl24 Ge2 N8 O8 -","2","1","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.71073","MoKα","","0.0658","0.053","","","0.1112","0.1174","","","","","","1.067","","","","has coordinates","250073","2020-10-21","18:00:00",""
"4134381","27.994","0.004","8.6238","0.0012","40.445","0.006","90","","109.698","0.011","90","","9193","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H52 F5 Ge N5 -","- C52 H52 F5 Ge N5 -","- C416 H416 F40 Ge8 N40 -","8","1","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.71073","MoKα","","0.1306","0.0593","","","0.106","0.1258","","","","","","1.011","","","","has coordinates","250073","2020-10-21","18:00:00",""
"4134382","11.1696","0.0006","18.5499","0.001","22.1637","0.0011","75.451","0.002","77.193","0.002","74.606","0.003","4226","0.4","150","2","150.02","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H51 Ge I N4 -","- C47 H51 Ge I N4 -","- C188 H204 Ge4 I4 N16 -","4","2","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.71073","MoKα","","0.0744","0.0532","","","0.1","0.1082","","","","","","1.152","","","","has coordinates","250073","2020-10-21","18:00:00",""
"4134383","13.9768","0.0002","14.7308","0.0003","22.7506","0.0004","90","","91.163","0.001","90","","4683.14","0.14","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H58 Ge N4 -","- C53 H58 Ge N4 -","- C212 H232 Ge4 N16 -","4","1","","Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.","Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.","Journal of the American Chemical Society","2020","142","12","5852","5861","10.1021/jacs.0c01283","","","0.71073","MoKα","","0.0547","0.0347","","","0.0814","0.09","","","","","","1.018","","","","has coordinates,has disorder","250073","2020-10-21","18:00:00",""
"4134384","15.2401","0.0004","15.6758","0.0002","15.7321","0.0004","64.493","0.003","76.63","0.004","65.59","0.004","3082.38","0.17","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C96 H180 Ce6 O40 -","- C96 H180 Ce6 O40 -","- C96 H180 Ce6 O40 -","1","0.5","","Shirase, Satoru; Tamaki, Sota; Shinohara, Koichi; Hirosawa, Keishi; Tsurugi, Hayato; Satoh, Tetsuya; Mashima, Kazushi","Cerium(IV) Carboxylate Photocatalyst for Catalytic Radical Formation from Carboxylic Acids: Decarboxylative Oxygenation of Aliphatic Carboxylic Acids and Lactonization of Aromatic Carboxylic Acids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12918","","","0.71075","MoKα","","0.0399","0.0365","","","0.1016","0.1033","","","","","","1.096","","","","has coordinates,has disorder","249295","2020-10-21","18:00:00",""
"4134385","19.931","0.002","5.9364","0.0007","27.721","0.003","90","","104.107","0.002","90","","3181","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 Br2 N O2 -","- C22 H25 Br2 N O2 -","- C132 H150 Br12 N6 O12 -","6","3","","Lin, Yingfu; Hirschi, William J.; Kunadia, Anuj; Paul, Anirudra; Ghiviriga, Ion; Abboud, Khalil A.; Karugu, Rachael W.; Vetticatt, Mathew J.; Hirschi, Jennifer S.; Seidel, Daniel","A Selenourea-Thiourea Brønsted Acid Catalyst Facilitates Asymmetric Conjugate Additions of Amines to α,β-Unsaturated Esters.","Journal of the American Chemical Society","2020","142","12","5627","5635","10.1021/jacs.9b12457","","","0.71073","MoKα","","0.0609","0.0586","","","0.1215","0.1223","","","","","","1.196","","","","has coordinates","250079","2020-10-21","18:00:00",""
"4134386","15.8094","0.0012","9.1663","0.0006","18.1044","0.0011","90","","107.105","0.002","90","","2507.5","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N5 Ni O -","- C30 H29 N5 Ni O -","- C120 H116 N20 Ni4 O4 -","4","1","","Truesdell, Blaise L.; Hamby, Taylor B.; Sevov, Christo S.","General C(sp<sup>2</sup>)-C(sp<sup>3</sup>) Cross-Electrophile Coupling Reactions Enabled by Overcharge Protection of Homogeneous Electrocatalysts.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01475","","x-ray","0.71073","MoKα","","0.0798","0.0488","","","0.0992","0.1105","","","","","","1.057","","","","has coordinates,has disorder","249297","2020-10-21","18:00:00",""
"4134387","22.4784","0.0003","24.2398","0.0003","25.1777","0.0003","90","","90","","90","","13718.6","0.3","140","0.1","140","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C77 H67.5 N2.5 O4 Pr Si4 -","- C77 H67.5 N2.5 O4 Pr Si4 -","- C616 H540 N20 O32 Pr8 Si32 -","8","2","","Willauer, Aurélien R; Palumbo, Chad T.; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Douair, Iskander; Maron, Laurent; Mazzanti, Marinella","Accessing the +IV Oxidation State in Molecular Complexes of Praseodymium.","Journal of the American Chemical Society","2020","142","12","5538","5542","10.1021/jacs.0c01204","","x-ray","0.71073","MoKα","","0.0472","0.0406","","","0.1008","0.1075","","","","","","1.076","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4134388","13.1036","0.0008","14.9076","0.001","22.4578","0.0012","83.344","0.005","81.037","0.005","64.588","0.006","3908.2","0.5","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C84 H84 K O7 Pr Si4 -","- C84 H84 K O7 Pr Si4 -","- C168 H168 K2 O14 Pr2 Si8 -","2","1","","Willauer, Aurélien R; Palumbo, Chad T.; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Douair, Iskander; Maron, Laurent; Mazzanti, Marinella","Accessing the +IV Oxidation State in Molecular Complexes of Praseodymium.","Journal of the American Chemical Society","2020","142","12","5538","5542","10.1021/jacs.0c01204","","x-ray","1.54184","CuKα","","0.1321","0.1108","","","0.2981","0.3102","","","","","","1.133","","","","has coordinates,has disorder","250080","2020-10-21","18:00:00",""
"4134389","25.6668","0.0003","15.04611","0.00014","33.6749","0.0003","90","","95.9196","0.0009","90","","12935.4","0.2","139.99","0.1","139.99","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H198 Cl3 K3 O26 Pr2 Si10 -","- C84 H198 Cl3 K3 O26 Pr2 Si10 -","- C336 H792 Cl12 K12 O104 Pr8 Si40 -","4","0.5","","Willauer, Aurélien R; Palumbo, Chad T.; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Douair, Iskander; Maron, Laurent; Mazzanti, Marinella","Accessing the +IV Oxidation State in Molecular Complexes of Praseodymium.","Journal of the American Chemical Society","2020","142","12","5538","5542","10.1021/jacs.0c01204","","x-ray","1.54184","CuKα","","0.0439","0.0433","","","0.1131","0.1136","","","","","","1.123","","","","has coordinates,has disorder","250080","2020-10-21","18:00:00",""
"4134390","13.6969","0.0003","5.6945","0.0001","22.0831","0.0006","90","","93.3","0.001","90","","1719.56","0.07","163","2","163.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 I N -","- C19 H22 I N -","- C76 H88 I4 N4 -","4","1","","Cong, Xuefeng; Zhan, Gu; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Diastereodivergent [3 + 2] Annulation of Aromatic Aldimines with Alkenes via C-H Activation by Half-Sandwich Rare-Earth Catalysts.","Journal of the American Chemical Society","2020","142","12","5531","5537","10.1021/jacs.0c01171","","","0.71073","MoKα","","0.018","0.0173","","","0.0422","0.0426","","","","","","1.109","","","","has coordinates","250075","2020-10-21","18:00:00",""
"4134391","8.8516","0.0012","9.0513","0.0012","13.0251","0.0018","92.455","0.004","108.753","0.004","115.373","0.004","872.7","0.2","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 I N -","- C19 H22 I N -","- C38 H44 I2 N2 -","2","1","","Cong, Xuefeng; Zhan, Gu; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin","Diastereodivergent [3 + 2] Annulation of Aromatic Aldimines with Alkenes via C-H Activation by Half-Sandwich Rare-Earth Catalysts.","Journal of the American Chemical Society","2020","142","12","5531","5537","10.1021/jacs.0c01171","","","0.71073","MoKα","","0.0368","0.034","","","0.0909","0.0931","","","","","","1.047","","","","has coordinates","250075","2020-10-21","18:00:00",""
"4134392","35.2184","0.0004","33.427","0.0004","37.3137","0.0004","90","","95.8588","0.001","90","","43697.9","0.9","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C724 H819 B48 Cl8 F192 N97 O110 Pd24 -","- C724 H819 B48 Cl8 F192 N97 O110 Pd24 -","- C1448 H1638 B96 Cl16 F384 N194 O220 Pd48 -","2","0.5","","Tamura, Yukari; Takezawa, Hiroki; Fujita, Makoto","A Double-Walled Knotted Cage for Guest-Adaptive Molecular Recognition.","Journal of the American Chemical Society","2020","142","12","5504","5508","10.1021/jacs.0c00459","","","1.54178","CuKα","","0.2005","0.0905","","","0.2412","0.3146","","","","","","0.979","","","","has coordinates,has disorder","250083","2020-10-21","18:00:00",""
"4134393","10.02","0.002","11.554","0.002","16.035","0.003","74.125","0.003","84.067","0.003","85.833","0.003","1774.1","0.6","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O6 -","- C21 H18 O6 -","- C84 H72 O24 -","4","2","","Tamura, Yukari; Takezawa, Hiroki; Fujita, Makoto","A Double-Walled Knotted Cage for Guest-Adaptive Molecular Recognition.","Journal of the American Chemical Society","2020","142","12","5504","5508","10.1021/jacs.0c00459","","","0.71073","MoKα","","0.1","0.0678","","","0.1853","0.2057","","","","","","1.053","","","","has coordinates","250083","2020-10-21","18:00:00",""
"4134394","40.908","0.011","40.908","0.011","28.479","0.008","90","","90","","90","","47659","2","90","2","90","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C713.58 H804.32 N114.89 O350.35 Pd24 -","- C713.576 H804.32 N114.888 O350.346 Pd23.992 -","- C1427.15 H1608.64 N229.776 O700.693 Pd47.984 -","2","0.125","","Tamura, Yukari; Takezawa, Hiroki; Fujita, Makoto","A Double-Walled Knotted Cage for Guest-Adaptive Molecular Recognition.","Journal of the American Chemical Society","2020","142","12","5504","5508","10.1021/jacs.0c00459","","","0.71073","MoKα","","0.1422","0.0858","","","0.2218","0.2719","","","","","","1.013","","","","has coordinates,has disorder","250083","2020-10-21","18:00:00",""
"4134395","9.2394","0.0013","16.054","0.002","13.4313","0.0018","90","","104.686","0.009","90","","1927.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H36 B N O3 -","- C17 H36 B N O3 -","- C68 H144 B4 N4 O12 -","4","1","","Hari, Durga Prasad; Abell, Joseph C.; Fasano, Valerio; Aggarwal, Varinder K.","Ring-Expansion Induced 1,2-Metalate Rearrangements: Highly Diastereoselective Synthesis of Cyclobutyl Boronic Esters.","Journal of the American Chemical Society","2020","142","12","5515","5520","10.1021/jacs.0c00813","","","0.71073","MoKα","","0.1097","0.0548","","","0.1148","0.1371","","","","","","1.02","","","","has coordinates","250076","2020-10-21","18:00:00",""
"4134396","16.8872","0.0012","9.0985","0.0006","14.5635","0.001","90","","102.237","0.001","90","","2186.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 B Cl0.74 I0.26 N O2 -","- C20 H33 B Cl0.7435 I0.2565 N O2 -","- C80 H132 B4 Cl2.974 I1.026 N4 O8 -","4","1","","Hari, Durga Prasad; Abell, Joseph C.; Fasano, Valerio; Aggarwal, Varinder K.","Ring-Expansion Induced 1,2-Metalate Rearrangements: Highly Diastereoselective Synthesis of Cyclobutyl Boronic Esters.","Journal of the American Chemical Society","2020","142","12","5515","5520","10.1021/jacs.0c00813","","","0.71073","MoKα","","0.0556","0.0366","","","0.0828","0.0902","","","","","","1.028","","","","has coordinates,has disorder","250076","2020-10-21","18:00:00",""
"4134397","7.4511","0.001","12.8249","0.001","18.6937","0.001","90","","94.11","0.01","90","","1781.8","0.3","100.02","0.1","100.02","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl Rh -","- C20 H26 Cl Rh -","- C80 H104 Cl4 Rh4 -","4","1","","Harris, Robert J.; Park, Jiyong; Nelson, Taylor A. F.; Iqbal, Nafees; Salgueiro, Daniel C.; Bacsa, John; MacBeth, Cora E.; Baik, Mu-Hyun; Blakey, Simon B.","The Mechanism of Rhodium-Catalyzed Allylic C-H Amination.","Journal of the American Chemical Society","2020","142","12","5842","5851","10.1021/jacs.0c01069","","x-ray","0.71073","MoKα","","0.0221","0.0201","","","0.0477","0.0482","","","","","","1.197","","","","has coordinates","250078","2020-10-21","18:00:00",""
"4134398","9.0845","0.00013","26.7256","0.0004","10.28003","0.00015","90","","94.911","0.0013","90","","2486.71","0.06","102","4","102","4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 N O2 Rh S -","- C27 H34 N O2 Rh S -","- C108 H136 N4 O8 Rh4 S4 -","4","1","","Harris, Robert J.; Park, Jiyong; Nelson, Taylor A. F.; Iqbal, Nafees; Salgueiro, Daniel C.; Bacsa, John; MacBeth, Cora E.; Baik, Mu-Hyun; Blakey, Simon B.","The Mechanism of Rhodium-Catalyzed Allylic C-H Amination.","Journal of the American Chemical Society","2020","142","12","5842","5851","10.1021/jacs.0c01069","","x-ray","0.71073","MoKα","","0.0334","0.0269","","","0.0666","0.0689","","","","","","1.035","","","","has coordinates","250078","2020-10-21","18:00:00",""
"4134399","7.2611","0.0002","14.6975","0.0003","18.0948","0.0005","90","","95.564","0.002","90","","1921.98","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 O2 Rh -","- C22 H29 O2 Rh -","- C88 H116 O8 Rh4 -","4","1","","Harris, Robert J.; Park, Jiyong; Nelson, Taylor A. F.; Iqbal, Nafees; Salgueiro, Daniel C.; Bacsa, John; MacBeth, Cora E.; Baik, Mu-Hyun; Blakey, Simon B.","The Mechanism of Rhodium-Catalyzed Allylic C-H Amination.","Journal of the American Chemical Society","2020","142","12","5842","5851","10.1021/jacs.0c01069","","x-ray","0.71073","MoKα","","0.0371","0.028","","","0.0624","0.0649","","","","","","1.049","","","","has coordinates","250078","2020-10-21","18:00:00",""
"4134400","6.4403","0.0007","17.4163","0.0019","16.7694","0.0018","90","","92.659","0.0015","90","","1878.9","0.4","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](AsF6)0.50(SbF6)0.50","","","- C14 H22 As0.5 Au F6 N2 Sb0.5 -","- C14 H22 As0.534 Au F6 N2 Sb0.466 -","- C56 H88 As2.136 Au4 F24 N8 Sb1.864 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0245","0.0185","","","0.0392","0.0416","","","","","","1.031","","","","has coordinates,has disorder","249360","2020-10-21","18:00:00",""
"4134401","6.3789","0.0007","17.039","0.002","16.73","0.002","90","","92.689","0.004","90","","1816.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](PF6)0.75(AsF6)0.25","","","- C14 H22 As0.24 Au F6 N2 P0.76 -","- C14 H22 As0.2433 Au F6 N2 P0.7567 -","- C56 H88 As0.9732 Au4 F24 N8 P3.0268 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0304","0.0241","","","0.0613","0.0648","","","","","","1.132","","","","has coordinates,has disorder","249361","2020-10-21","18:00:00",""
"4134402","24.761","0.003","25.651","0.003","12.0706","0.0014","90","","97.011","0.002","90","","7609.2","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](SbF6)","","","- C14 H22 Au F6 N2 Sb -","- C14 H22 Au F6 N2 Sb -","- C224 H352 Au16 F96 N32 Sb16 -","16","4","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0805","0.0572","","","0.1296","0.1444","","","","","","1.107","","","","has coordinates,has disorder","249362","2020-10-21","18:00:00",""
"4134403","6.393","0.0006","17.1419","0.0016","16.7199","0.0015","90","","92.647","0.001","90","","1830.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](PF6)0.25(AsF6)0.75","","","- C14 H22 As0.75 Au F6 N2 P0.25 -","- C14 H22 As0.729 Au F6 N2 P0.271 -","- C56 H88 As2.916 Au4 F24 N8 P1.084 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0288","0.0241","","","0.0611","0.0632","","","","","","1.236","","","","has coordinates,has disorder","249363","2020-10-21","18:00:00",""
"4134404","6.3866","0.0007","17.0703","0.0017","16.7356","0.0016","90","","92.664","0.004","90","","1822.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](PF6)0.50(AsF6)0.50","","","- C14 H22 As0.5 Au F6 N2 P0.5 -","- C14 H22 As0.485 Au F6 N2 P0.515 -","- C56 H88 As1.94 Au4 F24 N8 P2.06 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0348","0.0278","","","0.0768","0.0821","","","","","","1.079","","","","has coordinates,has disorder","249364","2020-10-21","18:00:00",""
"4134405","6.3728","0.0009","17.043","0.002","16.739","0.002","90","","92.66","0.002","90","","1816.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](PF6)0.75(AsF6)0.25","","","- C14 H22 As0.23 Au F6 N2 P0.77 -","- C14 H22 As0.233 Au F6 N2 P0.767 -","- C56 H88 As0.932 Au4 F24 N8 P3.068 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0659","0.0313","","","0.0561","0.0648","","","","","","1.027","","","","has coordinates,has disorder","249365","2020-10-21","18:00:00",""
"4134406","6.385","0.0004","17.0891","0.0012","16.7204","0.0011","90","","92.686","0.001","90","","1822.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](PF6)0.50(AsF6)0.50","","","- C14 H22 As0.5 Au F6 N2 P0.5 -","- C14 H22 As0.474 Au F6 N2 P0.526 -","- C56 H88 As1.896 Au4 F24 N8 P2.104 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0336","0.0274","","","0.0802","0.0842","","","","","","1.149","","","","has coordinates,has disorder","249366","2020-10-21","18:00:00",""
"4134407","6.398","0.0006","17.152","0.002","16.741","0.002","90","","92.747","0.004","90","","1835","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](PF6)0.25(AsF6)0.75","","","- C14 H22 As0.74 Au F6 N2 P0.26 -","- C14 H22 As0.735 Au F6 N2 P0.265 -","- C56 H88 As2.94 Au4 F24 N8 P1.06 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0271","0.0222","","","0.0574","0.0595","","","","","","1.182","","","","has coordinates,has disorder","249367","2020-10-21","18:00:00",""
"4134408","6.3774","0.0005","17.0398","0.0013","16.7367","0.0013","90","","92.728","0.002","90","","1816.7","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](PF6)0.75(AsF6)0.25","","","- C14 H22 As0.24 Au F6 N2 P0.76 -","- C14 H22 As0.244 Au F6 N2 P0.756 -","- C56 H88 As0.976 Au4 F24 N8 P3.024 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.033","0.025","","","0.0661","0.0705","","","","","","1.127","","","","has coordinates,has disorder","249368","2020-10-21","18:00:00",""
"4134409","6.415","0.0007","17.2744","0.0019","16.7207","0.0018","90","","92.713","0.002","90","","1850.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(C6H11NC)2Au](PF6)0.50(SbF6)0.50","","","- C14 H22 Au F6 N2 P0.5 Sb0.5 -","- C14 H22 Au F6 N2 P0.5084 Sb0.4916 -","- C56 H88 Au4 F24 N8 P2.0336 Sb1.9664 -","4","1","","Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.","Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C<sub>6</sub>H<sub>11</sub>NC)<sub>2</sub>Au]<sup/>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13168","","","0.71073","MoKα","","0.0289","0.0229","","","0.0728","0.0768","","","","","","1.076","","","","has coordinates,has disorder","249369","2020-10-21","18:00:00",""
"4134410","23.5179","0.0018","41.767","0.004","43.084","0.004","84.628","0.005","89.02","0.005","79.679","0.005","41453","6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C166 H164 N24 O24 Se8 -","- C166 H163.75 N24 O24 Se8 -","- C1328 H1310 N192 O192 Se64 -","8","4","","Rahman, Faiz-Ur; Tzeli, Demeter; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula; Ballester, Pablo; Rebek, Jr, Julius; Yu, Yang","Chalcogen Bonding and Hydrophobic Effects Force Molecules into Small Spaces.","Journal of the American Chemical Society","2020","142","12","5876","5883","10.1021/jacs.0c01290","","","1.34139","GaKα","","0.2449","0.1521","","","0.357","0.4054","","","","","","1.002","","","","has coordinates,has disorder","250086","2020-10-21","18:00:00",""
"4134411","10.5324","0.0003","10.3157","0.0003","18.7208","0.0005","90","","90","","90","","2034","0.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C96 H136 N8 O16 -","8","1","","Jung, Hoimin; Keum, Hyeyun; Kweon, Jeonguk; Chang, Sukbok","Tuning Triplet Energy Transfer of Hydroxamates as the Nitrene Precursor for Intramolecular C(sp<sup>3</sup>)-H Amidation.","Journal of the American Chemical Society","2020","142","12","5811","5818","10.1021/jacs.0c00868","","","0.71073","MoKα","","0.0607","0.0538","","","0.1271","0.1321","","","","","","1.111","","","","has coordinates","250074","2020-10-21","18:00:00",""
"4134412","60.281","0.012","4.917","0.001","14.155","0.003","90","","93.84","0.03","90","","4186.1","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 F6 N O4 -","- C24 H15 F6 N O4 -","- C192 H120 F48 N8 O32 -","8","1","","Jung, Hoimin; Keum, Hyeyun; Kweon, Jeonguk; Chang, Sukbok","Tuning Triplet Energy Transfer of Hydroxamates as the Nitrene Precursor for Intramolecular C(sp<sup>3</sup>)-H Amidation.","Journal of the American Chemical Society","2020","142","12","5811","5818","10.1021/jacs.0c00868","","","0.7","synchrotron","","0.0782","0.0688","","","0.2008","0.2105","","","","","","1.113","","","","has coordinates","250074","2020-10-21","18:00:00",""
"4134413","7.0148","0.0012","11.8848","0.0018","12.981","0.002","90","","90.395","0.005","90","","1082.2","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H17 N O2 -","- C11 H17 N O2 -","- C44 H68 N4 O8 -","4","2","","Jung, Hoimin; Keum, Hyeyun; Kweon, Jeonguk; Chang, Sukbok","Tuning Triplet Energy Transfer of Hydroxamates as the Nitrene Precursor for Intramolecular C(sp<sup>3</sup>)-H Amidation.","Journal of the American Chemical Society","2020","142","12","5811","5818","10.1021/jacs.0c00868","","","0.71073","MoKα","","0.0722","0.052","","","0.1095","0.1182","","","","","","1.043","","","","has coordinates","250074","2020-10-21","18:00:00",""
"4134414","9.8755","0.0007","11.4069","0.0005","16.8121","0.001","90","","90","","90","","1893.86","0.19","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 F5 O P S3 -","- C16 H16 F5 O P S3 -","- C64 H64 F20 O4 P4 S12 -","4","1","","Xu, Dongmin; Rivas-Bascón, Nazaret; M Padial, Natalia; Knouse, Kyle W.; Zheng, Bin; Vantourout, Julien C.; Schmidt, Michael A.; Eastgate, Martin D.; Baran, Phil S.","Enantiodivergent Formation of C-P Bonds: Synthesis of P-Chiral Phosphines and Methyl-phosphonate Oligonucleotides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13898","","x-ray","0.71073","MoKα","","0.028","0.0247","","","0.0576","0.0594","","","","","","1.039","","","","has coordinates","249399","2020-10-21","18:00:00",""
"4134415","9.2918","0.0004","10.4856","0.0004","10.8907","0.0004","90","","94.561","0.001","90","","1057.72","0.07","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H31 O P S2 -","- C20 H31 O P S2 -","- C40 H62 O2 P2 S4 -","2","1","","Xu, Dongmin; Rivas-Bascón, Nazaret; M Padial, Natalia; Knouse, Kyle W.; Zheng, Bin; Vantourout, Julien C.; Schmidt, Michael A.; Eastgate, Martin D.; Baran, Phil S.","Enantiodivergent Formation of C-P Bonds: Synthesis of P-Chiral Phosphines and Methyl-phosphonate Oligonucleotides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13898","","x-ray","0.71073","MoKα","","0.0274","0.0265","","","0.0644","0.0651","","","","","","1.035","","","","has coordinates","249400","2020-10-21","18:00:00",""
"4134416","9.6822","0.0002","8.5651","0.0001","10.6603","0.0002","90","","93.474","0.001","90","","882.42","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 O2 P -","- C23 H19 O2 P -","- C46 H38 O4 P2 -","2","1","","Xu, Dongmin; Rivas-Bascón, Nazaret; M Padial, Natalia; Knouse, Kyle W.; Zheng, Bin; Vantourout, Julien C.; Schmidt, Michael A.; Eastgate, Martin D.; Baran, Phil S.","Enantiodivergent Formation of C-P Bonds: Synthesis of P-Chiral Phosphines and Methyl-phosphonate Oligonucleotides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13898","","x-ray","1.54178","CuKα","","0.0249","0.0248","","","0.0667","0.0668","","","","","","1.031","","","","has coordinates","249401","2020-10-21","18:00:00",""
"4134417","8.3898","0.0001","11.6997","0.0001","14.1048","0.0002","90","","90","","90","","1384.5","0.03","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 O2 P S -","- C14 H15 O2 P S -","- C56 H60 O8 P4 S4 -","4","1","","Xu, Dongmin; Rivas-Bascón, Nazaret; M Padial, Natalia; Knouse, Kyle W.; Zheng, Bin; Vantourout, Julien C.; Schmidt, Michael A.; Eastgate, Martin D.; Baran, Phil S.","Enantiodivergent Formation of C-P Bonds: Synthesis of P-Chiral Phosphines and Methyl-phosphonate Oligonucleotides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13898","","x-ray","1.54178","CuKα","","0.0212","0.021","","","0.0584","0.0586","","","","","","1.108","","","","has coordinates","249402","2020-10-21","18:00:00",""
"4134418","10.5002","0.0001","10.5759","0.0001","15.1419","0.0002","90","","90","","90","","1681.49","0.03","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 O P S2 -","- C16 H21 O P S2 -","- C64 H84 O4 P4 S8 -","4","1","","Xu, Dongmin; Rivas-Bascón, Nazaret; M Padial, Natalia; Knouse, Kyle W.; Zheng, Bin; Vantourout, Julien C.; Schmidt, Michael A.; Eastgate, Martin D.; Baran, Phil S.","Enantiodivergent Formation of C-P Bonds: Synthesis of P-Chiral Phosphines and Methyl-phosphonate Oligonucleotides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13898","","x-ray","1.54178","CuKα","","0.02","0.0199","","","0.0531","0.0532","","","","","","1.073","","","","has coordinates","249403","2020-10-21","18:00:00",""
"4134419","11.5551","0.0019","12.353","0.003","13.32","0.003","85.773","0.016","69.85","0.01","81.738","0.013","1765.8","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H50 B F6 N3 -","- C37 H50 B F6 N3 -","- C74 H100 B2 F12 N6 -","2","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.0591","0.0393","","","0.0903","0.0983","","","","","","1.028","","","","has coordinates","250077","2020-10-21","18:00:00",""
"4134420","12.566","0.003","8.2909","0.0008","20.179","0.004","90","","104.595","0.016","90","","2034.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 B Br2 F6 N2 -","- C17 H19 B Br2 F6 N2 -","- C68 H76 B4 Br8 F24 N8 -","4","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.0206","0.0179","","","0.0436","0.0446","","","","","","1.025","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134421","24.208","0.009","16.72","0.008","20.187","0.007","90","","130.261","0.007","90","","6235","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 B F6 N O2 -","- C34 H38 B F6 N O2 -","- C272 H304 B8 F48 N8 O16 -","8","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.093","0.061","","","0.1459","0.1663","","","","","","1.027","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134422","8.849","0.003","10.927","0.004","10.94","0.004","114.541","0.018","102.1","0.03","97.48","0.03","912.4","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 B2 F12 N4 -","- C34 H38 B2 F12 N4 -","- C34 H38 B2 F12 N4 -","1","0.5","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.1323","0.0795","","","0.1767","0.2092","","","","","","1.034","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134423","10.477","0.007","11.414","0.008","21.469","0.018","75.85","0.015","85.729","0.008","72.776","0.019","2378","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 B2 Br2 F12 N4 -","- C46 H50 B2 Br2 F12 N4 -","- C92 H100 B4 Br4 F24 N8 -","2","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.1041","0.0518","","","0.096","0.1131","","","","","","1.014","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134424","8.465","0.0019","11.3157","0.0018","23.879","0.005","90","","90","","90","","2287.3","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 B F6 N2 O2 -","- C23 H23 B F6 N2 O2 -","- C92 H92 B4 F24 N8 O8 -","4","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.0302","0.0257","","","0.0638","0.0651","","","","","","1.034","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134425","15.8864","0.0006","9.1579","0.0003","42.8822","0.0016","90","","99.783","0.001","90","","6148","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H37 B Cl2 F6 N -","- C31 H37 B Cl2 F6 N -","- C248 H296 B8 Cl16 F48 N8 -","8","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.0671","0.035","","","0.0807","0.0878","","","","","","1.054","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134426","20.475","0.002","7.6092","0.0008","12.4167","0.0013","90","","124.988","0.002","90","","1584.9","0.3","130","","130","","","","","","","","Leonidas Dimitrios Syntrivanis","4","C 1 2 1","C 2y","5","","","","- C16 H25 N3 O -","- C16 H25 N3 O -","- C64 H100 N12 O4 -","4","1","","Syntrivanis, Leonidas-Dimitrios; Némethová, Ivana; Schmid, Dario; Levi, Shani; Prescimone, Alessandro; Bissegger, Fabian; Major, Dan T.; Tiefenbacher, Konrad","Four-Step Access to the Sesquiterpene Natural Product Presilphiperfolan-1β-ol and Unnatural Derivatives via Supramolecular Catalysis.","Journal of the American Chemical Society","2020","142","12","5894","5900","10.1021/jacs.0c01464","","x-ray","1.54178","CuKα","","0.028","0.028","","","0.0739","0.074","","","","","","1.057","","","","has coordinates","250082","2020-10-21","18:00:00",""
"4134427","16.2888","0.0011","16.2888","0.0011","20.502","0.0015","90","","90","","90","","5439.7","0.7","130","","130","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C15 H26 O -","- C15 H26 O -","- C240 H416 O16 -","16","2","","Syntrivanis, Leonidas-Dimitrios; Némethová, Ivana; Schmid, Dario; Levi, Shani; Prescimone, Alessandro; Bissegger, Fabian; Major, Dan T.; Tiefenbacher, Konrad","Four-Step Access to the Sesquiterpene Natural Product Presilphiperfolan-1β-ol and Unnatural Derivatives via Supramolecular Catalysis.","Journal of the American Chemical Society","2020","142","12","5894","5900","10.1021/jacs.0c01464","","x-ray","1.54178","CuKα","","0.0553","0.0538","","","0.1403","0.1419","","","","","","1.064","","","","has coordinates,has disorder","250082","2020-10-21","18:00:00",""
"4134428","13.065","0.0004","29.3865","0.0009","11.9523","0.0004","90","","90","","90","","4588.9","0.3","120","2","120","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C84 H80 F24 Fe2 N20 P4 -","- C84 H80 F24 Fe2 N20 P4 -","- C168 H160 F48 Fe4 N40 P8 -","2","0.5","","Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia","Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process.","Journal of the American Chemical Society","2020","142","12","5819","5824","10.1021/jacs.0c00896","","","1.54178","CuKα","","0.069","0.0652","","","0.1489","0.1511","","","","","","1.081","","","","has coordinates","250084","2020-10-21","18:00:00",""
"4134429","21.0032","0.0007","16.044","0.0005","21.1775","0.0007","90","","111.551","0.001","90","","6637.4","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H54 Cl8 Cu2 N8 O12 -","- C66 H54 Cl8 Cu2 N8 O12 -","- C264 H216 Cl32 Cu8 N32 O48 -","4","1","","Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia","Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process.","Journal of the American Chemical Society","2020","142","12","5819","5824","10.1021/jacs.0c00896","","","0.71073","MoKα","","0.0801","0.0586","","","0.1474","0.1639","","","","","","1.059","","","","has coordinates,has disorder","250084","2020-10-21","18:00:00",""
"4134430","24.5777","0.0008","25.8125","0.0008","35.2575","0.0011","90","","107.858","0.002","90","","21290.1","1.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C258 H226 B4 Cu4 N16 O8 -","- C258 H226 B4 Cu4 N16 O8 -","- C1032 H904 B16 Cu16 N64 O32 -","4","0.5","","Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia","Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process.","Journal of the American Chemical Society","2020","142","12","5819","5824","10.1021/jacs.0c00896","","","1.54178","CuKα","","0.0973","0.081","","","0.21","0.2241","","","","","","1.027","","","","has coordinates,has disorder","250084","2020-10-21","18:00:00",""
"4134431","20.5323","0.0006","20.5323","0.0006","41.7019","0.0017","90","","90","","90","","17580.5","1","120","2","120","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C144 H108 B6 F24 N28 Zn4 -","- C144 H108 B6 F24 N28 Zn4 -","- C576 H432 B24 F96 N112 Zn16 -","4","0.25","","Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia","Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process.","Journal of the American Chemical Society","2020","142","12","5819","5824","10.1021/jacs.0c00896","","","1.54178","CuKα","","0.0708","0.069","","","0.2097","0.2122","","","","","","1.054","","","","has coordinates","250084","2020-10-21","18:00:00",""
"4134432","9.5366","0.0007","5.7321","0.0004","14.9406","0.0013","90","","91.557","0.003","90","","816.42","0.11","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C34 H42 N2 O6 S2 -","2","1","","Uwamori, Masahiro; Osada, Ryunosuke; Sugiyama, Ryoji; Nagatani, Kotaro; Nakada, Masahisa","Enantioselective Total Synthesis of Cotylenin A.","Journal of the American Chemical Society","2020","142","12","5556","5561","10.1021/jacs.0c01774","","","0.71075","MoKα","","","0.038","","","","0.0949","","","","","","1.104","","","","has coordinates","250085","2020-10-21","18:00:00",""
"4134433","13.025","0.002","17.695","0.003","17.75","0.003","90","","99.93","0.003","90","","4029.7","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Au N3 O -","- C40 H56 Au N3 O -","- C160 H224 Au4 N12 O4 -","4","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0259","0.0189","","","0.0457","0.0478","","","","","","1.041","","","","has coordinates","250054","2020-10-21","18:00:00",""
"4134434","10.1743","0.0014","17.827","0.003","18.078","0.003","90","","90.286","0.002","90","","3278.9","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 Au N2 O2 -","- C36 H45 Au N2 O2 -","- C144 H180 Au4 N8 O8 -","4","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0297","0.0275","","","0.0732","0.075","","","","","","1.037","","","","has coordinates,has disorder","250054","2020-10-21","18:00:00",""
"4134435","11.072","0.003","15.898","0.004","24.215","0.006","90.721","0.004","94.132","0.004","102.353","0.004","4151.2","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H54 Au N3 O -","- C48 H54 Au N3 O -","- C192 H216 Au4 N12 O4 -","4","2","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0828","0.0687","","","0.188","0.1955","","","","","","1.035","","","","has coordinates","250054","2020-10-21","18:00:00",""
"4134436","16.597","0.003","14.75","0.002","18.101","0.003","90","","100.144","0.003","90","","4362","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H60 Au N3 O -","- C44 H60 Au N3 O -","- C176 H240 Au4 N12 O4 -","4","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0354","0.0229","","","0.0483","0.0511","","","","","","1.008","","","","has coordinates","250054","2020-10-21","18:00:00",""
"4134437","11.018","0.007","14.238","0.009","14.308","0.009","113.992","0.008","98.581","0.011","95.042","0.009","2000","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H52 Au N3 O2 -","- C48 H52 Au N3 O2 -","- C96 H104 Au2 N6 O4 -","2","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.1285","0.0967","","","0.2614","0.2894","","","","","","1.019","","","","has coordinates","250054","2020-10-21","18:00:00",""
"4134438","11.38","0.002","14.959","0.003","15.152","0.003","98.414","0.003","102.154","0.003","101.174","0.003","2426.2","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H54 Au N3 O2 -","- C48 H54 Au N3 O2 -","- C96 H108 Au2 N6 O4 -","2","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0173","0.0162","","","0.0408","0.0412","","","","","","1.009","","","","has coordinates","250054","2020-10-21","18:00:00",""
"4134439","11.264","0.0016","23.609","0.003","13.2861","0.0019","90","","99.42","0.002","90","","3485.6","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H52 Au N3 O -","- C37 H52 Au N3 O -","- C148 H208 Au4 N12 O4 -","4","0.5","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.0387","0.0322","","","0.0778","0.0811","","","","","","1.065","","","","has coordinates,has disorder","250054","2020-10-21","18:00:00",""
"4134440","10.233","0.003","17.846","0.004","17.766","0.004","90","","93.463","0.004","90","","3238.5","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 Au N2 O -","- C36 H47 Au N2 O -","- C144 H188 Au4 N8 O4 -","4","1","","Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.","Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.","Journal of the American Chemical Society","2020","142","13","6158","6172","10.1021/jacs.9b13755","","","0.71073","MoKα","","0.027","0.0256","","","0.0711","0.0719","","","","","","1.049","","","","has coordinates,has disorder","250054","2020-10-21","18:00:00",""
"4134441","7.78","0.0001","8.1061","0.0001","29.6389","0.0005","90","","90","","90","","1869.19","0.05","173","2","172.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 N6 O10 -","- C14 H24 N6 O10 -","- C56 H96 N24 O40 -","4","1","","Wang, Fei; Zhang, Wen-He; Zhao, Juan; Kang, Wen-Jia; Wang, Shengyang; Yu, Biao; Pan, Hai-Xue; Tang, Gong-Li","Characterization of Miharamycin Biosynthesis Reveals a Hybrid NRPS-PKS to Synthesize High-Carbon Sugar from a Complex Nucleoside.","Journal of the American Chemical Society","2020","142","13","5996","6000","10.1021/jacs.0c01778","","","1.34139","GaKα","","0.0288","0.0283","","","0.0747","0.0752","","","","","","1.063","","","","has coordinates","250057","2020-10-21","18:00:00",""
"4134442","26.798","0.0009","12.5063","0.0004","25.5113","0.0009","90","","119.089","0.001","90","","7471.5","0.4","170","2","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C71 H88 Cl N O12 -","- C71 H88 Cl N O12 -","- C284 H352 Cl4 N4 O48 -","4","0.5","","Sheng, Xinru; Li, Errui; Zhou, Yujuan; Zhao, Run; Zhu, Weijie; Huang, Feihe","Separation of 2-Chloropyridine/3-Chloropyridine by Nonporous Adaptive Crystals of Pillararenes with Different Substituents and Cavity Sizes.","Journal of the American Chemical Society","2020","142","13","6360","6364","10.1021/jacs.0c01274","","","1.34139","GaKα","","0.125","0.1166","","","0.2949","0.2995","","","","","","0.983","","","","has coordinates,has disorder","250059","2020-10-21","18:00:00",""
"4134443","26.5236","0.0008","12.5602","0.0004","25.6641","0.0011","90","","119.075","0.001","90","","7472.4","0.5","173.01","","173.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H92 Cl2 N2 O12 -","- C76 H92 Cl2 N2 O12 -","- C304 H368 Cl8 N8 O48 -","4","0.5","","Sheng, Xinru; Li, Errui; Zhou, Yujuan; Zhao, Run; Zhu, Weijie; Huang, Feihe","Separation of 2-Chloropyridine/3-Chloropyridine by Nonporous Adaptive Crystals of Pillararenes with Different Substituents and Cavity Sizes.","Journal of the American Chemical Society","2020","142","13","6360","6364","10.1021/jacs.0c01274","","","1.54178","CuKα","","0.1035","0.0935","","","0.2842","0.2947","","","","","","1.064","","","","has coordinates,has disorder","250059","2020-10-21","18:00:00",""
"4134444","13.847","0.001","23.25","0.002","25.631","0.002","80.16","0.003","90.001","0.001","90.001","0.001","8130.3","1.1","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C299 H316 Br48 Cl7 N7 O49 -","- C299 H316 Br48 Cl7 N7 O49 -","- C299 H316 Br48 Cl7 N7 O49 -","1","0.5","","Sheng, Xinru; Li, Errui; Zhou, Yujuan; Zhao, Run; Zhu, Weijie; Huang, Feihe","Separation of 2-Chloropyridine/3-Chloropyridine by Nonporous Adaptive Crystals of Pillararenes with Different Substituents and Cavity Sizes.","Journal of the American Chemical Society","2020","142","13","6360","6364","10.1021/jacs.0c01274","","","0.71073","MoKα","","0.1437","0.0974","","","0.2912","0.3231","","","","","","1.098","","","","has coordinates,has disorder","250059","2020-10-21","18:00:00",""
"4134445","13.3514","0.0003","13.3868","0.0003","13.8133","0.0003","117.91","0.001","100.421","0.001","94.45","0.001","2108","0.08","170","2","170.01","","","","","","","","","6","P -1","-P 1","2","","","","- C71 H76 Br12 Cl N O12 -","- C71 H76 Br12 Cl N O12 -","- C71 H76 Br12 Cl N O12 -","1","0.5","","Sheng, Xinru; Li, Errui; Zhou, Yujuan; Zhao, Run; Zhu, Weijie; Huang, Feihe","Separation of 2-Chloropyridine/3-Chloropyridine by Nonporous Adaptive Crystals of Pillararenes with Different Substituents and Cavity Sizes.","Journal of the American Chemical Society","2020","142","13","6360","6364","10.1021/jacs.0c01274","","","1.34139","GaKα","","0.1226","0.1186","","","0.302","0.3048","","","","","","1.072","","","","has coordinates,has disorder","250059","2020-10-21","18:00:00",""
"4134446","9.74368","0.00015","18.5497","0.0003","26.3997","0.0005","90","","90","","90","","4771.54","0.14","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H56 B3 N3 O5 -","- C55 H56 B3 N3 O5 -","- C220 H224 B12 N12 O20 -","4","1","","Suresh, Subeesh Madayanad; Duda, Eimantas; Hall, David; Yao, Zhen; Bagnich, Sergey; Slawin, Alexandra M. Z.; Bässler, Heinz; Beljonne, David; Buck, Manfred; Olivier, Yoann; Köhler, Anna; Zysman-Colman, Eli","A Deep Blue B,N-Doped Heptacene Emitter That Shows Both Thermally Activated Delayed Fluorescence and Delayed Fluores-cence by Triplet Triplet Annihilation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13704","","","1.54184","CuKα","","0.0455","0.0391","","","0.1019","0.106","","","","","","1.024","","","","has coordinates","249501","2020-10-21","18:00:00",""
"4134447","12.3452","0.0004","12.739","0.0004","18.1766","0.0005","85.899","0.002","89.229","0.002","63.881","0.003","2559.55","0.15","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C62 H60 Li O2 P3 Ru -","- C62 H60 Li O2 P3 Ru -","- C124 H120 Li2 O4 P6 Ru2 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","1.54184","CuKα","","0.0483","0.04","","","0.096","0.1005","","","","","","1.015","","","","has coordinates","250052","2020-10-21","18:00:00",""
"4134448","14.8201","0.0003","16.2071","0.0004","17.1082","0.0003","94.116","0.002","93.148","0.002","112.751","0.002","3764.44","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H94 Li O8 P3 Ru -","- C88 H94 Li O8 P3 Ru -","- C176 H188 Li2 O16 P6 Ru2 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","","0.71073","MoKα","","0.0644","0.0427","","","0.0886","0.0982","","","","","","1.024","","","","has coordinates","250052","2020-10-21","18:00:00",""
"4134449","41.0356","0.0005","13.7554","0.0002","19.4148","0.0002","90","","99.045","0.001","90","","10822.6","0.2","200","0.1","200","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H63 Mg O2 P3 Ru -","- C63 H63 Mg O2 P3 Ru -","- C504 H504 Mg8 O16 P24 Ru8 -","8","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","1.54184","CuKα","","0.0414","0.0316","","","0.0715","0.0756","","","","","","1.025","","","","has coordinates,has disorder","250052","2020-10-21","18:00:00",""
"4134450","12.3478","0.0003","12.6936","0.0003","20.7422","0.0004","78.102","0.002","81.745","0.002","64.053","0.002","2855.31","0.12","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C67 H71 O3 P3 Ru Zn -","- C67 H71 O3 P3 Ru Zn -","- C134 H142 O6 P6 Ru2 Zn2 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","1.54184","CuKα","","0.0305","0.0275","","","0.0682","0.0705","","","","","","1.036","","","","has coordinates,has disorder","250052","2020-10-21","18:00:00",""
"4134451","12.3741","0.0004","12.7084","0.0004","20.744","0.0006","78.007","0.003","81.63","0.003","63.847","0.003","2858.8","0.17","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C66.65 H69.95 Cl0.35 O3 P3 Ru Zn -","- C66.65 H69.95 Cl0.35 O3 P3 Ru Zn -","- C133.3 H139.9 Cl0.7 O6 P6 Ru2 Zn2 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","0.71073","MoKα","","0.0525","0.0369","","","0.0734","0.0796","","","","","","1.041","","","","has coordinates,has disorder","250052","2020-10-21","18:00:00",""
"4134452","11.2221","0.0003","13.0503","0.0004","16.6725","0.0005","85.312","0.003","73.891","0.003","72.861","0.003","2241.67","0.12","150","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C55 H47 P3 Ru Zn -","- C55 H47 P3 Ru Zn -","- C110 H94 P6 Ru2 Zn2 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","0.71073","MoKα","","0.0456","0.033","","","0.0676","0.0727","","","","","","1.025","","","","has coordinates,has disorder","250052","2020-10-21","18:00:00",""
"4134453","13.4442","0.0004","17.6572","0.0005","18.2564","0.0005","90.385","0.002","99.08","0.003","104.878","0.002","4131","0.2","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C88 H62 B F24 P3 Ru Zn2 -","- C88 H62 B F24 P3 Ru Zn2 -","- C176 H124 B2 F48 P6 Ru2 Zn4 -","2","1","","Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate.","Journal of the American Chemical Society","2020","142","13","6340","6349","10.1021/jacs.0c01062","","x-ray","0.71073","MoKα","","0.0627","0.0395","","","0.0837","0.0947","","","","","","1.025","","","","has coordinates,has disorder","250052","2020-10-21","18:00:00",""
"4134454","8.612","0.003","14.566","0.006","15.189","0.005","90","","90","","90","","1905.3","1.2","103","2","103","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C18 H11 F10 N2 O0.5 Pd -","- C18 H11 F10 N2 O0.5 Pd -","- C72 H44 F40 N8 O2 Pd4 -","4","0.5","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","","0.71073","MoKα","","0.044","0.031","","","0.0734","0.0794","","","","","","1.074","","","","has coordinates,has disorder","250055","2020-10-21","18:00:00",""
"4134455","40.0791","0.0008","13.0995","0.0003","3.698","0.0001","90","","90","","90","","1941.51","0.08","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C12 H4 F6 -","- C12 H4 F6 -","- C96 H32 F48 -","8","0.5","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","x-ray","1.54184","CuKα","","0.0321","0.0317","","","0.0808","0.0813","","","","","","1.056","","","","has coordinates","250055","2020-10-21","18:00:00",""
"4134456","9.1923","0.0003","8.9775","0.0002","9.5988","0.0003","90","","90.225","0.003","90","","792.12","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 F4 N2 Pd -","- C16 H12 F4 N2 Pd -","- C32 H24 F8 N4 Pd2 -","2","1","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","x-ray","0.71073","MoKα","","0.0307","0.0266","","","0.0574","0.0588","","","","","","1.044","","","","has coordinates","250055","2020-10-21","18:00:00",""
"4134457","10.994","0.003","8.897","0.004","20.967","0.003","90","","90","","90","","2050.9","1.1","103","2","103","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H2 F8 -","- C12 H2 F8 -","- C96 H16 F64 -","8","1","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","","0.71073","MoKα","","0.037","0.0319","","","0.0861","0.09","","","","","","1.041","","","","has coordinates","250055","2020-10-21","18:00:00",""
"4134458","9.55","0.0015","17.778","0.005","19.108","0.003","90","","90.415","0.007","90","","3244.1","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 F6 N2 Pd -","- C16 H10 F6 N2 Pd -","- C128 H80 F48 N16 Pd8 -","8","2","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","","0.71073","MoKα","","0.0392","0.0294","","","0.0718","0.077","","","","","","1.063","","","","has coordinates","250055","2020-10-21","18:00:00",""
"4134459","9.6828","0.0008","18.9012","0.0019","20.5148","0.0015","90","","90","","90","","3754.5","0.6","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18.5 Br I N O -","- C18 H19 Br I N O -","- C144 H152 Br8 I8 N8 O8 -","8","2","","Tian, Junsong; Luo, Fan; Zhang, Qifeng; Liang, Yuchen; Li, Dongyang; Zhan, Yaling; Kong, Lichun; Wang, Zhi-Xiang; Peng, Bo","Asymmetric Iodonio-[3,3]-Sigmatropic Rearrangement to Access Chiral α-Aryl Carbonyl Compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00783","","","0.71073","MoKα","","0.1067","0.0403","","","0.071","0.0886","","","","","","0.99","","","","has coordinates","249530","2020-10-21","18:00:00",""
"4134460","7.2242","0.0003","8.8678","0.0004","15.7698","0.0007","90","","90","","90","","1010.26","0.08","293","2","293","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H11 Cl3 F N Zn -","- C4 H11 Cl3 F N Zn -","- C16 H44 Cl12 F4 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0421","0.0397","","","0.0999","0.1013","","","","","","1.001","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134461","7.1947","0.0002","8.718","0.0002","15.6452","0.0005","90","","90","","90","","981.32","0.05","93","2","93","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H11 Cl3 F N Zn -","- C4 H11 Cl3 F N Zn -","- C16 H44 Cl12 F4 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0243","0.0241","","","0.0626","0.0627","","","","","","1.001","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134462","7.1748","0.0004","9.1116","0.0005","17.2922","0.001","90","","90","","90","","1130.46","0.11","293","2","293","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H11 Br Cl3 N Zn -","- C4 H11 Br Cl3 N Zn -","- C16 H44 Br4 Cl12 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0712","0.0611","","","0.1633","0.1693","","","","","","1.043","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134463","7.174","0.0003","9.1468","0.0004","17.7179","0.0006","90","","90","","90","","1162.63","0.08","293","2","293","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H11 Cl3 I N Zn -","- C4 H11 Cl3 I N Zn -","- C16 H44 Cl12 I4 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0548","0.0512","","","0.1217","0.1234","","","","","","1.174","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134464","28.8906","0.001","7.1178","0.0002","10.2641","0.0003","90","","90","","90","","2110.68","0.11","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H22 Cl8 N2 Zn2 -","- C8 H22 Cl8 N2 Zn2 -","- C32 H88 Cl32 N8 Zn8 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0207","0.0198","","","0.0522","0.0525","","","","","","1","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134465","7.1698","0.0003","14.6397","0.0005","10.3561","0.0004","90","","90","","90","","1087.01","0.07","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C4 H11 Cl4 N Zn -","- C4 H11 Cl4 N Zn -","- C16 H44 Cl16 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0498","0.0475","","","0.1322","0.1341","","","","","","1.001","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134466","7.2453","0.0003","8.8632","0.0004","15.4226","0.0008","90","","90","","90","","990.39","0.08","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C4 H12 Cl3 N Zn -","- C4 H12 Cl3 N Zn -","- C16 H48 Cl12 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0338","0.0333","","","0.0839","0.0842","","","","","","1.058","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134467","6.2036","0.0009","8.1137","0.0011","15.041","0.003","90","","96.162","0.01","90","","752.7","0.2","100","2","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O -","- C19 H21 N O -","- C38 H42 N2 O2 -","2","1","","Xu, Bin; Troian-Gautier, Ludovic; Dykstra, Ryan; Martin, Robert T.; Gutierrez, Osvaldo; Tambar, Uttam K.","Photocatalyzed Diastereoselective Isomerization of Cinnamyl Chlorides to Cyclopropanes.","Journal of the American Chemical Society","2020","142","13","6206","6215","10.1021/jacs.0c00147","","","0.71073","MoKα","","0.0594","0.0415","","","0.0915","0.0978","","","","","","1.037","","","","has coordinates","250058","2020-10-21","18:00:00",""
"4134468","8.353","0.0004","5.8263","0.0002","10.678","0.0004","90","","109.178","0.005","90","","490.83","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H9 Cl S -","- C11 H9 Cl S -","- C22 H18 Cl2 S2 -","2","1","","Xu, Bin; Troian-Gautier, Ludovic; Dykstra, Ryan; Martin, Robert T.; Gutierrez, Osvaldo; Tambar, Uttam K.","Photocatalyzed Diastereoselective Isomerization of Cinnamyl Chlorides to Cyclopropanes.","Journal of the American Chemical Society","2020","142","13","6206","6215","10.1021/jacs.0c00147","","","0.71073","MoKα","","0.0489","0.0471","","","0.1216","0.1237","","","","","","1.082","","","","has coordinates","250058","2020-10-21","18:00:00",""
"4134469","23.636","0.005","7.7229","0.0016","6.3397","0.0011","90","","94.829","0.011","90","","1153.1","0.4","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C15 H13 Cl -","- C15 H13 Cl -","- C60 H52 Cl4 -","4","1","","Xu, Bin; Troian-Gautier, Ludovic; Dykstra, Ryan; Martin, Robert T.; Gutierrez, Osvaldo; Tambar, Uttam K.","Photocatalyzed Diastereoselective Isomerization of Cinnamyl Chlorides to Cyclopropanes.","Journal of the American Chemical Society","2020","142","13","6206","6215","10.1021/jacs.0c00147","","","0.71073","MoKα","","0.0564","0.0424","","","0.0864","0.0888","","","","","","1.01","","","","has coordinates","250058","2020-10-21","18:00:00",""
"4134470","7.9411","0.0003","11.3394","0.0005","6.033","0.0003","90","","90","","90","","543.26","0.04","307","2","307","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0507","0.0428","","","0.095","0.0999","","","","","","1.21","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134471","7.9344","0.0003","11.3381","0.0004","6.0281","0.0002","90","","90","","90","","542.29","0.03","280","2","280","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0525","0.0418","","","0.0896","0.095","","","","","","1.14","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4134472","7.9296","0.0003","11.3383","0.0004","6.0243","0.0003","90","","90","","90","","541.63","0.04","260","2","260","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0459","0.0351","","","0.0839","0.0904","","","","","","1.002","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134473","7.9292","0.0002","11.3401","0.0004","6.0235","0.0002","90","","90","","90","","541.62","0.03","252","2","252","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0409","0.0321","","","0.0713","0.076","","","","","","1.089","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134474","6.0598","0.0004","7.8788","0.0005","11.2274","0.0007","90","","92.234","0.002","90","","535.63","0.06","238","2","238","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.1055","0.0947","","","0.2063","0.2118","","","","","","1.246","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134475","6.0581","0.0004","7.8735","0.0005","11.2215","0.0007","90","","92.254","0.003","90","","534.83","0.06","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.1006","0.0886","","","0.1993","0.205","","","","","","1.249","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134476","6.0577","0.0004","7.8714","0.0005","11.2223","0.0007","90","","92.255","0.002","90","","534.69","0.06","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.1077","0.097","","","0.207","0.212","","","","","","1.289","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4134477","7.9345","0.0009","11.0298","0.0013","5.9653","0.0008","90","","90","","90","","522.06","0.11","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H6.45 K0.39 N1.61 O3 P -","- F H6.268 K0.433 N1.567 O3 P -","- F4 H25.072 K1.732 N6.268 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0518","0.0463","","","0.0979","0.1002","","","","","","1.139","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134478","7.9362","0.0009","11.2076","0.0011","6.0017","0.0007","90","","90","","90","","533.83","0.1","303","2","303","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F0.8 H6.4 K0.13 N1.47 O2.4 P0.8 -","- F0.8 H6.4 K0.128 N1.472 O2.4 P0.8 -","- F4 H32 K0.64 N7.36 O12 P4 -","5","1.25","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0425","0.0345","","","0.1044","0.1142","","","","","","0.903","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134479","7.9368","0.0004","11.2965","0.0006","6.0229","0.0003","90","","90","","90","","540","0.05","306","2","306","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.04 N1.96 O3 P -","- F H8 K0.034 N1.966 O3 P -","- F4 H32 K0.136 N7.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0442","0.0405","","","0.0941","0.0957","","","","","","1.157","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134480","7.9319","0.0003","11.295","0.0004","6.019","0.0002","90","","90","","90","","539.25","0.03","280","2","280","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.01 N2 O3 P -","- F H8 K0.032 N1.968 O3 P -","- F4 H32 K0.128 N7.872 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0445","0.0414","","","0.0925","0.0938","","","","","","1.162","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134481","7.9299","0.0003","11.2968","0.0004","6.0169","0.0002","90","","90","","90","","539.01","0.03","260","2","260","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F0.8 H6.4 K0.03 N1.57 O2.4 P0.8 -","- F0.8 H6.4 K0.0304 N1.5696 O2.4 P0.8 -","- F4 H32 K0.152 N7.848 O12 P4 -","5","1.25","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0462","0.0416","","","0.1119","0.1172","","","","","","0.975","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134482","7.9285","0.0003","11.3009","0.0004","6.0152","0.0002","90","","90","","90","","538.96","0.03","240","2","240","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.02 N1.98 O3 P -","- F H8 K0.034 N1.966 O3 P -","- F4 H32 K0.136 N7.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0443","0.0396","","","0.1074","0.1123","","","","","","0.938","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134483","6.041","0.0002","7.874","0.0003","11.1841","0.0004","90","","92.26","0.001","90","","531.58","0.03","230","2","230","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.04 N1.96 O3 P -","- F H8 K0.042 N1.958 O3 P -","- F4 H32 K0.168 N7.832 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0551","0.05","","","0.1422","0.1464","","","","","","1.216","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134484","6.0404","0.0002","7.8708","0.0002","11.1807","0.0003","90","","92.268","0.001","90","","531.15","0.03","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.06 N1.94 O3 P -","- F H8 K0.039 N1.961 O3 P -","- F4 H32 K0.156 N7.844 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0445","0.0396","","","0.0896","0.092","","","","","","1.164","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134485","6.0398","0.0002","7.8673","0.0003","11.1779","0.0004","90","","92.279","0.001","90","","530.72","0.03","210","2","210","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.05 N1.94 O3 P -","- F H8 K0.055 N1.945 O3 P -","- F4 H32 K0.22 N7.78 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0487","0.0426","","","0.1234","0.1292","","","","","","1.088","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134486","6.0398","0.0002","7.8659","0.0003","11.1767","0.0004","90","","92.289","0.001","90","","530.56","0.03","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.05 N1.95 O3 P -","- F H8 K0.034 N1.966 O3 P -","- F4 H32 K0.136 N7.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0516","0.048","","","0.1049","0.1063","","","","","","1.189","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134487","6.0395","0.0002","7.8631","0.0003","11.1748","0.0005","90","","92.309","0.001","90","","530.25","0.04","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.06 N1.94 O3 P -","- F H8 K0.039 N1.961 O3 P -","- F4 H32 K0.156 N7.844 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0493","0.0455","","","0.1008","0.1026","","","","","","1.187","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134488","7.9297","0.0011","11.1111","0.0019","5.982","0.001","90","","90","","90","","527.06","0.15","304","2","304","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.29 N1.71 O3 P -","- F H8 K0.284 N1.716 O3 P -","- F4 H32 K1.136 N6.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0707","0.0601","","","0.1225","0.1267","","","","","","1.155","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134489","7.9247","0.0003","11.1134","0.0004","5.9812","0.0003","90","","90","","90","","526.77","0.04","260","2","260","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.28 N1.72 O3 P -","- F H8 K0.263 N1.737 O3 P -","- F4 H32 K1.052 N6.948 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0661","0.0572","","","0.1063","0.1091","","","","","","1.115","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134490","7.9171","0.0003","11.109","0.0005","5.9766","0.0003","90","","90","","90","","525.65","0.04","220","2","220","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.3 N1.71 O3 P -","- F H8 K0.291 N1.709 O3 P -","- F4 H32 K1.164 N6.836 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0686","0.0551","","","0.1164","0.122","","","","","","1.113","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134491","7.9076","0.0003","11.0973","0.0005","5.9692","0.0003","90","","90","","90","","523.82","0.04","190","2","190","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.28 N1.72 O3 P -","- F H8 K0.28 N1.72 O3 P -","- F4 H32 K1.12 N6.88 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0725","0.0622","","","0.1256","0.1298","","","","","","1.146","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134492","7.9057","0.0003","11.0964","0.0004","5.9676","0.0002","90","","90","","90","","523.51","0.03","170","2","170","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H6.89 K0.28 N1.72 O3 P -","- F H6.892 K0.277 N1.723 O3 P -","- F4 H27.568 K1.108 N6.892 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0733","0.0612","","","0.1123","0.1166","","","","","","1.151","","","","has coordinates,has disorder","250063","2020-10-21","18:00:00",""
"4134493","7.9048","0.0003","11.0997","0.0005","5.9682","0.0002","90","","90","","90","","523.66","0.04","140","2","140","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H6.86 K0.28 N1.72 O3 P -","- F H6.864 K0.284 N1.716 O3 P -","- F4 H27.456 K1.136 N6.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0724","0.0604","","","0.1106","0.1148","","","","","","1.119","","","","has coordinates,has disorder","250063","2020-10-21","18:00:00",""
"4134494","5.9813","0.0002","7.8672","0.0002","10.9965","0.0004","90","","91.916","0.002","90","","517.16","0.03","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.27 N1.73 O3 P -","- F H8 K0.272 N1.728 O3 P -","- F4 H32 K1.088 N6.912 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0908","0.0755","","","0.1886","0.1959","","","","","","1.432","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134495","5.9756","0.0003","7.862","0.0003","10.9873","0.0005","90","","91.939","0.002","90","","515.89","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.27 N1.73 O3 P -","- F H8 K0.267 N1.733 O3 P -","- F4 H32 K1.068 N6.932 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0941","0.0801","","","0.1509","0.1564","","","","","","1.223","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134496","5.9761","0.0003","7.8611","0.0003","10.987","0.0005","90","","91.941","0.002","90","","515.86","0.04","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.27 N1.73 O3 P -","- F H8 K0.266 N1.734 O3 P -","- F4 H32 K1.064 N6.936 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0904","0.0779","","","0.1429","0.1472","","","","","","1.213","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134497","7.9303","0.0004","10.8767","0.0007","5.933","0.0003","90","","90","","90","","511.75","0.05","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H5.27 K0.68 N1.32 O3 P -","- F H5.272 K0.682 N1.318 O3 P -","- F4 H21.088 K2.728 N5.272 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0843","0.0768","","","0.1381","0.141","","","","","","1.26","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134498","7.9395","0.0013","11.3139","0.0019","6.0289","0.0009","90","","90","","90","","541.56","0.15","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.03 N1.97 O3 P -","- F H8 K0.03 N1.97 O3 P -","- F4 H32 K0.12 N7.88 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0555","0.05","","","0.1312","0.1351","","","","","","0.99","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134499","7.9325","0.0002","11.313","0.0003","6.0242","0.0002","90","","90","","90","","540.61","0.03","280","2","280","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.01 N1.99 O3 P -","- F H8 K0.02 N1.98 O3 P -","- F4 H32 K0.08 N7.92 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0391","0.0349","","","0.0825","0.0843","","","","","","1.124","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134500","7.9299","0.0002","11.3151","0.0003","6.0217","0.0002","90","","90","","90","","540.31","0.03","260","2","260","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.03 N1.97 O3 P -","- F H8 K0.026 N1.974 O3 P -","- F4 H32 K0.104 N7.896 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0453","0.0416","","","0.1049","0.1067","","","","","","1.149","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134501","6.0443","0.0002","7.8705","0.0003","11.1958","0.0005","90","","92.271","0.002","90","","532.18","0.04","240","2","240","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0 N2 O3 P -","- F H8 K0.028 N1.972 O3 P -","- F4 H32 K0.112 N7.888 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0852","0.0779","","","0.1936","0.198","","","","","","1.605","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134502","6.0447","0.0002","7.8661","0.0003","11.1926","0.0005","90","","92.297","0.002","90","","531.76","0.04","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.01 N1.99 O3 P -","- F H8 K0.012 N1.988 O3 P -","- F4 H32 K0.048 N7.952 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.077","0.0663","","","0.1378","0.1416","","","","","","1.252","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134503","6.0454","0.0002","7.8617","0.0003","11.189","0.0004","90","","92.319","0.001","90","","531.35","0.03","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.03 N1.97 O3 P -","- F H8 K0.032 N1.968 O3 P -","- F4 H32 K0.128 N7.872 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0781","0.0731","","","0.188","0.1903","","","","","","1.57","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134504","6.0442","0.0002","7.8558","0.0003","11.1835","0.0004","90","","92.34","0.001","90","","530.57","0.03","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.03 N1.97 O3 P -","- F H8 K0.03 N1.97 O3 P -","- F4 H32 K0.12 N7.88 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0751","0.0677","","","0.1748","0.1785","","","","","","1.466","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134505","6.043","0.0002","7.8506","0.0003","11.178","0.0004","90","","92.373","0.001","90","","529.84","0.03","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F H8 K0.04 N1.97 O3 P -","- F H8 K0.036 N1.964 O3 P -","- F4 H32 K0.144 N7.856 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0688","0.064","","","0.1686","0.1707","","","","","","1.424","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134506","10.8379","0.0013","15.0057","0.0014","7.9077","0.001","90","","107.595","0.013","90","","1225.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H11 I3 N2 Pb -","- C2 H11 I3 N2 Pb -","- C8 H44 I12 N8 Pb4 -","4","1","","Huang, Xiaofeng; Chen, Ruihao; Deng, Guocheng; Han, Faming; Ruan, Pengpeng; Cheng, Fangwen; Yin, Jun; Wu, Binghui; Zheng, Nanfeng","Methylamine-Dimer-Induced Phase Transition toward MAPbI<sub>3</sub> Films and High-Efficiency Perovskite Solar Modules.","Journal of the American Chemical Society","2020","142","13","6149","6157","10.1021/jacs.9b13443","","","0.71073","MoKα","","0.1398","0.0726","","","0.1375","0.1844","","","","","","1.003","","","","has coordinates","250065","2020-10-21","18:00:00",""
"4134507","13.7722","0.0004","14.9103","0.0004","19.1625","0.0008","90","","69.247","0.004","90","","3679.7","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H40 Cl0.23 I8.77 N7 Pb2 -","- C7 H40 Cl0.232 I8.768 N7 Pb2 -","- C28 H160 Cl0.928 I35.072 N28 Pb8 -","4","1","","Huang, Xiaofeng; Chen, Ruihao; Deng, Guocheng; Han, Faming; Ruan, Pengpeng; Cheng, Fangwen; Yin, Jun; Wu, Binghui; Zheng, Nanfeng","Methylamine-Dimer-Induced Phase Transition toward MAPbI<sub>3</sub> Films and High-Efficiency Perovskite Solar Modules.","Journal of the American Chemical Society","2020","142","13","6149","6157","10.1021/jacs.9b13443","","x-ray","0.71073","MoKα","","0.103","0.0621","","","0.1389","0.1633","","","","","","1.039","","","","has coordinates,has disorder","250065","2020-10-21","18:00:00",""
"4134508","11.3793","0.0001","11.8884","0.0002","12.7447","0.0002","90","","90","","90","","1724.12","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- F3 K Mo O2 -","- F3 K Mo O2 -","- F48 K16 Mo16 O32 -","16","4","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","x-ray","0.71073","MoKα","","0.0235","0.022","","","0.0457","0.0463","","","","","","1.045","","","","has coordinates","250056","2020-10-21","18:00:00",""
"4134509","11.3563","0.0005","11.8657","0.0005","12.7391","0.0006","90","","90","","90","","1716.6","0.13","100","","100.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- F3 K Mo O2 -","- F3 K Mo O2 -","- F48 K16 Mo16 O32 -","16","4","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","","0.71073","MoKα","","0.013","0.0129","","","0.0314","0.0314","","","","","","1.192","","","","has coordinates","250056","2020-10-21","18:00:00",""
"4134510","8.4691","0.0006","13.3818","0.0009","28.188","0.002","90","","95.692","0.004","90","","3178.8","0.4","100","","100.04","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F3 Mo O2 Rb -","- F3 Mo O2 Rb -","- F84 Mo28 O56 Rb28 -","28","3.5","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","","0.71073","MoKα","","0.0266","0.026","","","0.06","0.0603","","","","","","1.225","","","","has coordinates,has disorder","250056","2020-10-21","18:00:00",""
"4134511","8.3492","0.0003","13.4494","0.0005","28.2717","0.001","90","","95.004","0.002","90","","3162.6","0.2","100","2","99.96","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F3 Mo O2 Tl -","- F3 Mo O2 Tl -","- F84 Mo28 O56 Tl28 -","28","3.5","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","","0.71073","MoKα","","0.066","0.056","","","0.131","0.1369","","","","","","1.018","","","","has coordinates","250056","2020-10-21","18:00:00",""
"4134512","8.4774","0.0001","13.3966","0.0001","28.4385","0.0003","90","","95.073","0.001","90","","3217.06","0.06","200.01","0.1","200.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F3 Mo N O2 -","- F3 Mo N O2 -","- F84 Mo28 N28 O56 -","28","3.5","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","x-ray","0.71073","MoKα","","0.0227","0.0207","","","0.0502","0.051","","","","","","1.116","","","","has coordinates","250056","2020-10-21","18:00:00",""
"4134513","7.4499","0.0002","10.1587","0.0003","19.0266","0.0005","90","","90","","90","","1439.96","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CR-172","","","- C12 H20 N2 O2 S2 -","- C12 H20 N2 O2 S2 -","- C48 H80 N8 O8 S8 -","4","1","","Roos, Casey B.; Demaerel, Joachim; Graff, David E.; Knowles, Robert R.","Enantioselective Hydroamination of Alkenes with Sulfonamides Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2020","142","13","5974","5979","10.1021/jacs.0c01332","","","1.54178","CuKα","","0.0243","0.0231","","","0.0595","0.0601","","","","","","1.09","","","","has coordinates","250067","2020-10-21","18:00:00",""
"4134514","7.5385","0.0003","11.336","0.0004","17.2319","0.0006","90","","90","","90","","1472.58","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CR-173","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Roos, Casey B.; Demaerel, Joachim; Graff, David E.; Knowles, Robert R.","Enantioselective Hydroamination of Alkenes with Sulfonamides Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2020","142","13","5974","5979","10.1021/jacs.0c01332","","","1.54178","CuKα","","0.0227","0.0224","","","0.0582","0.0583","","","","","","1.096","","","","has coordinates","250067","2020-10-21","18:00:00",""
"4134515","26.4032","0.0009","17.2822","0.0009","15.4213","0.0006","90","","113.881","0.002","90","","6434.4","0.5","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H22 Au B Cl2 F4 N2 -","- C37 H22 Au B Cl2 F4 N2 -","- C296 H176 Au8 B8 Cl16 F32 N16 -","8","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Øien-Ødegaard, Sigurd; Vanderkooy, Alan; Gupta, Arvind Kumar; Carlsson, Anna-Carin C; Orthaber, Andreas; Fiksdahl, Anne; Pápai, Imre; Erdélyi, Máté","Catalytic Activity of <i>trans</i>-Bis(pyridine)gold Complexes.","Journal of the American Chemical Society","2020","142","13","6439","6446","10.1021/jacs.0c01941","","x-ray","0.71073","MoKα","","0.0461","0.0284","","","0.0644","0.0718","","","","","","1.034","","","","has coordinates","250062","2020-10-21","18:00:00",""
"4134516","32.117","0.015","12.282","0.006","8.293","0.004","90","","90","","90","","3271","3","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H20 Au2 Cl6 N2 O2 -","- C26 H20 Au2 Cl6 N2 O2 -","- C104 H80 Au8 Cl24 N8 O8 -","4","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Øien-Ødegaard, Sigurd; Vanderkooy, Alan; Gupta, Arvind Kumar; Carlsson, Anna-Carin C; Orthaber, Andreas; Fiksdahl, Anne; Pápai, Imre; Erdélyi, Máté","Catalytic Activity of <i>trans</i>-Bis(pyridine)gold Complexes.","Journal of the American Chemical Society","2020","142","13","6439","6446","10.1021/jacs.0c01941","","","0.71073","MoKα","","0.0947","0.0686","","","0.1449","0.1566","","","","","","1.03","","","","has coordinates","250062","2020-10-21","18:00:00",""
"4134517","26.339","0.003","15.8633","0.0015","20.316","0.002","90","","125.911","0.002","90","","6875.1","1.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C73 H42 Au4 Cl10 N4 -","- C73 H42 Au4 Cl10 N4 -","- C292 H168 Au16 Cl40 N16 -","4","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Øien-Ødegaard, Sigurd; Vanderkooy, Alan; Gupta, Arvind Kumar; Carlsson, Anna-Carin C; Orthaber, Andreas; Fiksdahl, Anne; Pápai, Imre; Erdélyi, Máté","Catalytic Activity of <i>trans</i>-Bis(pyridine)gold Complexes.","Journal of the American Chemical Society","2020","142","13","6439","6446","10.1021/jacs.0c01941","","","0.71073","MoKα","","0.0989","0.0648","","","0.1464","0.1656","","","","","","1.05","","","","has coordinates","250062","2020-10-21","18:00:00",""
"4134518","14.22334","0.00008","14.22334","0.00008","37.3147","0.0002","90","","90","","120","","6537.53","0.06","100.01","0.15","100.01","0.15","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C84 H12 Cu6 F42 O18 -","- C84 H12 Cu6 F42 O18 -","- C252 H36 Cu18 F126 O54 -","3","0.0833333","","Zhan, Shun-Ze; Zhang, Guo-Hui; Li, Jing-Hong; Liu, Jia-Li; Zhu, Si-Hui; Lu, Weigang; Zheng, Ji; Ng, Seik Weng; Li, Dan","Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a C<sub>60</sub>@Cu<sub>24</sub> Rhombicuboctahedron.","Journal of the American Chemical Society","2020","142","13","5943","5947","10.1021/jacs.0c00090","","x-ray","1.54184","CuKα","","0.1183","0.1171","","","0.32","0.3211","","","","","","1.115","","","","has coordinates,has disorder","250066","2020-10-21","18:00:00",""
"4134519","13.5207","0.0002","18.2853","0.0003","18.8367","0.0002","107.685","0.001","108.685","0.001","95.644","0.001","4103.1","0.11","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","7F-12","","","- C137 H32 Cl2 Cu13 F113 O42 -","- C137 H32 Cl2 Cu13 F113 O42 -","- C137 H32 Cl2 Cu13 F113 O42 -","1","0.5","","Zhan, Shun-Ze; Zhang, Guo-Hui; Li, Jing-Hong; Liu, Jia-Li; Zhu, Si-Hui; Lu, Weigang; Zheng, Ji; Ng, Seik Weng; Li, Dan","Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a C<sub>60</sub>@Cu<sub>24</sub> Rhombicuboctahedron.","Journal of the American Chemical Society","2020","142","13","5943","5947","10.1021/jacs.0c00090","","x-ray","1.54184","CuKα","","0.0958","0.0898","","","0.2559","0.2629","","","","","","1.046","","","","has coordinates,has disorder","250066","2020-10-21","18:00:00",""
"4134520","17.717","0.0003","17.7627","0.0006","17.8073","0.0004","63.11","0.003","88.8395","0.0017","86.946","0.002","4990.9","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C148 H92 Cu24 F72 O78 -","- C148 H92 Cu24 F72 O78 -","- C148 H92 Cu24 F72 O78 -","1","0.5","","Zhan, Shun-Ze; Zhang, Guo-Hui; Li, Jing-Hong; Liu, Jia-Li; Zhu, Si-Hui; Lu, Weigang; Zheng, Ji; Ng, Seik Weng; Li, Dan","Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a C<sub>60</sub>@Cu<sub>24</sub> Rhombicuboctahedron.","Journal of the American Chemical Society","2020","142","13","5943","5947","10.1021/jacs.0c00090","","x-ray","1.54184","CuKα","","0.0623","0.0554","","","0.1647","0.17","","","","","","1.055","","","","has coordinates,has disorder","250066","2020-10-21","18:00:00",""
"4134521","25.6664","0.0006","25.6664","0.0006","24.6267","0.0009","90","","90","","120","","14049.7","0.7","100","0.11","100","0.11","","","","","","","","5","R -3 :H","-R 3","148","","","","- C210 H162 Cl6 Cu24 O72 -","- C210 H162 Cl6 Cu24 O72 -","- C630 H486 Cl18 Cu72 O216 -","3","0.166667","","Zhan, Shun-Ze; Zhang, Guo-Hui; Li, Jing-Hong; Liu, Jia-Li; Zhu, Si-Hui; Lu, Weigang; Zheng, Ji; Ng, Seik Weng; Li, Dan","Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a C<sub>60</sub>@Cu<sub>24</sub> Rhombicuboctahedron.","Journal of the American Chemical Society","2020","142","13","5943","5947","10.1021/jacs.0c00090","","x-ray","1.54184","CuKα","","0.0598","0.0547","","","0.1495","0.1539","","","","","","1.07","","","","has coordinates,has disorder","250066","2020-10-21","18:00:00",""
"4134522","10.3229","0.0003","10.4949","0.0003","12.5496","0.0003","103.081","0.0013","93.1613","0.0013","99.9907","0.0011","1297.9","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H31 B N4 -","- C29 H31 B N4 -","- C58 H62 B2 N8 -","2","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","1,4-Hydroboration Reactions of Electron-Poor Aromatic Rings by N-Heterocyclic Carbene Boranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00490","","","1.54178","CuKα","","0.0467","0.0446","","","0.1575","0.1599","","","","","","2.078","","","","has coordinates","249656","2020-10-21","18:00:00",""
"4134523","7.4387","0.0003","14.1565","0.0006","13.7009","0.0006","90","","101.908","0.002","90","","1411.74","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 B N3 O2 -","- C14 H16 B N3 O2 -","- C56 H64 B4 N12 O8 -","4","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","1,4-Hydroboration Reactions of Electron-Poor Aromatic Rings by N-Heterocyclic Carbene Boranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00490","","","1.54178","CuKα","","0.0454","0.0412","","","0.1366","0.1398","","","","","","1.687","","","","has coordinates","249657","2020-10-21","18:00:00",""
"4134524","8.2143","0.0006","11.985","0.0007","13.161","0.001","90","","90","","90","","1295.68","0.16","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 B N4 -","- C13 H15 B N4 -","- C52 H60 B4 N16 -","4","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","1,4-Hydroboration Reactions of Electron-Poor Aromatic Rings by N-Heterocyclic Carbene Boranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00490","","","1.54184","CuKα","","0.0725","0.0657","","","0.1514","0.1576","","","","","","1.125","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4134525","42.4955","0.0011","42.4955","0.0011","42.4955","0.0011","90","","90","","90","","76741","3","150","2","150.01","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H114 N26 O22.33 P1.33 -","- C90 H114 N26 O22.3333 P1.33333 -","- C2160 H2735.99 N624 O536 P32 -","24","1","","Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao","Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages.","Journal of the American Chemical Society","2020","142","13","6304","6311","10.1021/jacs.0c00882","","","1.54178","CuKα","","0.1561","0.1173","","","0.3064","0.3463","","","","","","1.003","","","","has coordinates,has disorder","250053","2020-10-21","18:00:00",""
"4134526","42.271","0.006","42.271","","42.271","","90","","90","","90","","75531","11","150","2","150.02","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H110 N26 O22.33 P1.33 -","- C90 H110 N26 O22.3333 P1.33333 -","- C2160 H2640 N624 O536 P32 -","24","1","","Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao","Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages.","Journal of the American Chemical Society","2020","142","13","6304","6311","10.1021/jacs.0c00882","","","1.54178","CuKα","","0.1427","0.108","","","0.2926","0.3237","","","","","","1.012","","","","has coordinates,has disorder","250053","2020-10-21","18:00:00",""
"4134527","32.2178","0.0019","32.2178","0.0019","32.2178","0.0019","90","","90","","90","","33442","3","150","2","150.02","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C86 H108 N24 O22.33 P1.33 -","- C86 H87.9999 N24 O22.3333 P1.33333 -","- C1032 H1056 N288 O268 P16 -","12","1","","Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao","Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages.","Journal of the American Chemical Society","2020","142","13","6304","6311","10.1021/jacs.0c00882","","","1.54178","CuKα","","0.1445","0.1203","","","0.315","0.3444","","","","","","1.074","","","","has coordinates,has disorder","250053","2020-10-21","18:00:00",""
"4134528","32.135","0.004","32.135","","32.135","","90","","90","","90","","33184","4","150","2","150.02","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C86 H89 N24 O22.33 P1.33 -","- C86 H88.9998 N24 O22.3333 P1.33333 -","- C1032 H1068 N288 O268 P16 -","12","1","","Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao","Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages.","Journal of the American Chemical Society","2020","142","13","6304","6311","10.1021/jacs.0c00882","","","1.54184","CuKα","","0.0766","0.0725","","","0.2063","0.2144","","","","","","1.06","","","","has coordinates,has disorder","250053","2020-10-21","18:00:00",""
"4134529","4.5525","0.0009","7.9999","0.0016","9.5565","0.0019","90","","99.77","0.03","90","","343","0.12","200","2","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Cs F O7 P2 Si -","- Cs F O7 P2 Si -","- Cs2 F2 O14 P4 Si2 -","2","1","","Ding, Qingran; Liu, Xiaomeng; Zhao, Sangen; Wang, Yusong; Li, Yanqiang; Li, Lina; Liu, Shuai; Lin, Zheshuai; Hong, Maochun; Luo, Junhua","Designing a Deep-UV Nonlinear Optical Fluorooxosilicophosphate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00060","","","0.71073","MoKα","","0.065","0.0495","","","0.1073","0.1163","","","","","","1.084","","","","has coordinates","249663","2020-10-21","18:00:00",""
"4134530","9.9447","0.0012","9.9447","0.0012","10.1091","0.0013","90","","90","","90","","999.8","0.2","299","2","299.45","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- In8 Ir2 Se -","- In8 Ir2 Se -","- In32 Ir8 Se4 -","4","0.25","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","","0.71073","MoKα","","0.0286","0.0285","","","0.0639","0.0639","","","","","","1.187","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134531","10.005","0.004","10.007","0.004","10.196","0.004","90","","90","","89.991","0.008","1020.8","0.7","115","","115","","","","","","","","","3","P 1 1 m","P -2","6","","","","- In8 Ir2 Te -","- In8 Ir2 Te -","- In32 Ir8 Te4 -","4","2","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","x-ray","0.71073","MoKα","","0.1237","0.0747","","","0.1218","0.1314","","","","3.6","3.6","2.37","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134532","9.92","0.0006","9.9262","0.0006","10.1092","0.0006","90","","90","","89.9995","","995.43","0.1","120","","120","","","","","","","","","3","P 1 1 m","P -2","6","","","","- In8 Ir2 Se -","- In8 Ir2 Se -","- In32 Ir8 Se4 -","4","2","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","x-ray","0.71073","MoKα","","0.0749","0.0513","","","0.1085","0.1101","","","","3.32","3.32","2.45","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134533","9.92","0.0014","9.92","0.0014","10.14","0.002","90","","90","","90","","997.8","0.3","299","","299","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- In8 Ir2 S -","- In8 Ir2 S -","- In32 Ir8 S4 -","4","0.25","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","","0.71073","MoKα","","0.0224","0.022","","","0.0463","0.0465","","","","","","1.162","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134534","10.124","0.008","10.124","0.008","10.291","0.009","90","","90","","90","","1054.8","1.5","299","","299","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- In8 Ir2 Te -","- In8 Ir2 Te -","- In32 Ir8 Te4 -","4","0.25","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","","0.71073","MoKα","","0.0383","0.0254","","","0.0472","0.0511","","","","","","1.081","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134535","11.6067","0.0001","26.8486","0.0003","8.9726","0.0001","90","","90","","90","","2796.07","0.05","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C65.5 H61 Cl3 O2 -","- C65.5 H61 Cl3 O2 -","- C131 H122 Cl6 O4 -","2","0.5","","Miró, Javier; Gensch, Tobias; Ellwart, Mario; Han, Seo-Jung; Lin, Hsin-Hui; Sigman, Matthew S.; Toste, F. Dean","Enantioselective Allenoate-Claisen Rearrangement Using Chiral Phosphate Catalysts.","Journal of the American Chemical Society","2020","142","13","6390","6399","10.1021/jacs.0c01637","","","1.54184","CuKα","","0.0556","0.0537","","","0.1504","0.1522","","","","","","1.067","","","","has coordinates","250061","2020-10-21","18:00:00",""
"4134536","8.7338","0.0001","13.7551","0.0002","14.4231","0.0002","90","","90","","90","","1732.71","0.04","100","2","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 B F4 N -","- C17 H24 B F4 N -","- C68 H96 B4 F16 N4 -","4","1","","Miró, Javier; Gensch, Tobias; Ellwart, Mario; Han, Seo-Jung; Lin, Hsin-Hui; Sigman, Matthew S.; Toste, F. Dean","Enantioselective Allenoate-Claisen Rearrangement Using Chiral Phosphate Catalysts.","Journal of the American Chemical Society","2020","142","13","6390","6399","10.1021/jacs.0c01637","","","1.54184","CuKα","","0.0419","0.0401","","","0.1056","0.1069","","","","","","1.042","","","","has coordinates,has disorder","250061","2020-10-21","18:00:00",""
"4134537","8.8378","0.0002","12.492","0.0003","16.4162","0.0003","76.737","0.002","78.709","0.002","79.504","0.002","1711.92","0.07","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H58 Ni O P2 -","- C38 H58 Ni O P2 -","- C76 H116 Ni2 O2 P4 -","2","1","","Malapit, Christian A.; Borrell, Margarida; Milbauer, Michael W.; Brigham, Conor E.; Sanford, Melanie S.","Nickel-Catalyzed Decarbonylative Amination of Carboxylic Acid Esters.","Journal of the American Chemical Society","2020","142","13","5918","5923","10.1021/jacs.9b13531","","","1.54184","CuKα","","0.0411","0.0407","","","0.1111","0.1115","","","","","","1.062","","","","has coordinates","250064","2020-10-21","18:00:00",""
"4134538","13.1407","0.0002","18.4231","0.0004","16.9248","0.0003","90","","106.562","0.002","90","","3927.37","0.13","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H59 N Ni P2 -","- C40 H59 N Ni P2 -","- C160 H236 N4 Ni4 P8 -","4","1","","Malapit, Christian A.; Borrell, Margarida; Milbauer, Michael W.; Brigham, Conor E.; Sanford, Melanie S.","Nickel-Catalyzed Decarbonylative Amination of Carboxylic Acid Esters.","Journal of the American Chemical Society","2020","142","13","5918","5923","10.1021/jacs.9b13531","","","1.54184","CuKα","","0.0915","0.0808","","","0.2179","0.2327","","","","","","1.05","","","","has coordinates","250064","2020-10-21","18:00:00",""
"4134539","11.806","0.003","3.8446","0.001","13.595","0.004","90","","113.794","0.008","90","","564.6","0.3","108","2","108","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-23","","","- C12 H6 Cl2 F2 N2 -","- C12 H6 Cl2 F2 N2 -","- C24 H12 Cl4 F4 N4 -","2","0.5","","Konrad, David B.; Savasci, Gökcen; Allmendinger, Lars; Trauner, Dirk; Ochsenfeld, Christian; Ali, Ahmed M.","Computational Design and Synthesis of a Deeply Red-Shifted and Bistable Azobenzene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b10430","","","0.71073","MoKα","","0.0579","0.0514","","","0.108","0.1112","","","","","","1.225","","","","has coordinates","249708","2020-10-21","18:00:00",""
"4134540","8.14609","0.00018","8.27819","0.00016","32.932","0.0006","94.3451","0.0016","92.6148","0.0017","118.514","0.002","1937.28","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","621","","","- C12 H6 Cl4 N2 -","- C12 H6 Cl4 N2 -","- C72 H36 Cl24 N12 -","6","3","","Konrad, David B.; Savasci, Gökcen; Allmendinger, Lars; Trauner, Dirk; Ochsenfeld, Christian; Ali, Ahmed M.","Computational Design and Synthesis of a Deeply Red-Shifted and Bistable Azobenzene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b10430","","","0.71073","MoKα","","0.0372","0.0318","","","0.0717","0.0754","","","","","","1.02","","","","has coordinates","249708","2020-10-21","18:00:00",""
"4134541","10.9223","0.0006","7.4039","0.0004","16.2847","0.0009","90","","107.709","0.006","90","","1254.5","0.13","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","621-cis","","","- C12 H6 Cl4 N2 -","- C12 H6 Cl4 N2 -","- C48 H24 Cl16 N8 -","4","1","","Konrad, David B.; Savasci, Gökcen; Allmendinger, Lars; Trauner, Dirk; Ochsenfeld, Christian; Ali, Ahmed M.","Computational Design and Synthesis of a Deeply Red-Shifted and Bistable Azobenzene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b10430","","","0.71073","MoKα","","0.0541","0.0379","","","0.081","0.0913","","","","","","1.071","","","","has coordinates","249708","2020-10-21","18:00:00",""
"4134542","38.053","0.002","24.796","0.0014","37.323","0.002","90","","103.43","0.001","90","","34254","3","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- In16 Mn4 S43 Sb6 -","- In16 Mn4 S43 Sb6 -","- In128 Mn32 S344 Sb48 -","8","1","","Liu, Yong; Zhang, Jiaxu; Han, Bing; Wang, Xiang; Wang, Zhiqiang; Xue, Chaozhuang; Bian, Guoqing; Hu, Dandan; Zhou, Rui; Li, Dong-Sheng; Wang, Zhenxing; Ouyang, Zhongwen; Li, Mingde; Wu, Tao","New Insights into Mn-Mn Coupling Interaction-Directed Photoluminescence Quenching Mechanism in Mn<sup>2+</sup>-Doped Semiconductors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00156","","","0.71073","MoKα","","0.0724","0.0446","","","0.1443","0.1698","","","","","","1.255","","","","has coordinates","249709","2020-10-21","18:00:00",""
"4134543","13.2136","0.0006","17.6293","0.0005","24.0942","0.0011","90","","102.685","0.004","90","","5475.7","0.4","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H53 Br Cl8 N6 Ni2 -","- C55 H53 Br Cl8 N6 Ni2 -","- C220 H212 Br4 Cl32 N24 Ni8 -","4","1","","Stevens, Hendrik; Duan, Peng-Cheng; Dechert, Sebastian; Meyer, Franc","Competing H2 versus Intramolecular C-H Activation at a Dinuclear Nickel Complex via Metal-Metal Cooperative Oxidative Addition.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00758","","","0.71073","MoKα","","0.0539","0.0393","","","0.0863","0.0913","","","","","","1.05","","","","has coordinates,has disorder","249739","2020-10-21","18:00:00",""
"4134544","16.8007","0.0011","15.0508","0.0007","17.0678","0.001","90","","106.969","0.005","90","","4127.9","0.4","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H45 K N6 Ni2 -","- C51 H45 K N6 Ni2 -","- C204 H180 K4 N24 Ni8 -","4","1","","Stevens, Hendrik; Duan, Peng-Cheng; Dechert, Sebastian; Meyer, Franc","Competing H2 versus Intramolecular C-H Activation at a Dinuclear Nickel Complex via Metal-Metal Cooperative Oxidative Addition.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00758","","","0.71073","MoKα","","0.1253","0.0643","","","0.1002","0.1155","","","","","","1.009","","","","has coordinates,has disorder","249739","2020-10-21","18:00:00",""
"4134545","15.3579","0.0003","17.4833","0.0002","27.2615","0.0005","90","","95.238","0.001","90","","7289.3","0.2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77 H99 K N8 Ni2 O8 -","- C77 H99 K N8 Ni2 O8 -","- C308 H396 K4 N32 Ni8 O32 -","4","1","","Stevens, Hendrik; Duan, Peng-Cheng; Dechert, Sebastian; Meyer, Franc","Competing H2 versus Intramolecular C-H Activation at a Dinuclear Nickel Complex via Metal-Metal Cooperative Oxidative Addition.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00758","","","0.71073","MoKα","","0.0495","0.034","","","0.0828","0.0906","","","","","","1.051","","","","has coordinates,has disorder","249739","2020-10-21","18:00:00",""
"4134546","14.29","0.0003","18.501","0.0004","19.5019","0.0005","80.688","0.002","82.043","0.002","81.867","0.002","5001.4","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H61.25 N6 Na Ni2 O2 -","- C59 H61.25 N6 Na Ni2 O2 -","- C236 H245 N24 Na4 Ni8 O8 -","4","2","","Stevens, Hendrik; Duan, Peng-Cheng; Dechert, Sebastian; Meyer, Franc","Competing H2 versus Intramolecular C-H Activation at a Dinuclear Nickel Complex via Metal-Metal Cooperative Oxidative Addition.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00758","","","0.71073","MoKα","","0.0432","0.0327","","","0.0809","0.0873","","","","","","1.036","","","","has coordinates,has disorder","249739","2020-10-21","18:00:00",""
"4134547","12.7288","0.0007","15.5","0.0007","17.7274","0.0009","112.663","0.004","92.988","0.004","99.314","0.004","3159.7","0.3","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C67.25 H80 N6 Na Ni2 O3.75 -","- C67.25 H80 N6 Na Ni2 O3.75 -","- C134.5 H160 N12 Na2 Ni4 O7.5 -","2","1","","Stevens, Hendrik; Duan, Peng-Cheng; Dechert, Sebastian; Meyer, Franc","Competing H2 versus Intramolecular C-H Activation at a Dinuclear Nickel Complex via Metal-Metal Cooperative Oxidative Addition.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00758","","","0.71073","MoKα","","0.0903","0.049","","","0.1066","0.1192","","","","","","0.957","","","","has coordinates,has disorder","249739","2020-10-21","18:00:00",""
"4134548","30.8579","0.0005","14.7943","0.0003","25.3281","0.0004","90","","95.187","0.001","90","","11515.5","0.4","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H71 K N6 Ni2 O3.5 -","- C68 H71 K N6 Ni2 O3.5 -","- C544 H568 K8 N48 Ni16 O28 -","8","1","","Stevens, Hendrik; Duan, Peng-Cheng; Dechert, Sebastian; Meyer, Franc","Competing H2 versus Intramolecular C-H Activation at a Dinuclear Nickel Complex via Metal-Metal Cooperative Oxidative Addition.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00758","","","0.71073","MoKα","","0.046","0.0366","","","0.0954","0.1014","","","","","","1.063","","","","has coordinates,has disorder","249739","2020-10-21","18:00:00",""
"4134549","27.7413","0.0005","10.6411","0.0002","20.9606","0.0004","90","","108.051","0.001","90","","5882.98","0.19","133","2","133","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C57 H55 N6 Na0.5 Ni2 O1.5 -","- C57 H55 N6 Na0.5 Ni2 O1.5 -","- C228 H220 N24 Na2 Ni8 O6 -","4","1","","Stevens, Hendrik; Duan, Peng-Cheng; Dechert, Sebastian; Meyer, Franc","Competing H2 versus Intramolecular C-H Activation at a Dinuclear Nickel Complex via Metal-Metal Cooperative Oxidative Addition.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00758","","","0.71073","MoKα","","0.0462","0.0336","","","0.0827","0.0881","","","","","","1.031","","","","has coordinates,has disorder","249739","2020-10-21","18:00:00",""
"4134550","6.0928","0.0003","9.2223","0.0005","35.161","0.002","90","","91.673","0.002","90","","1974.84","0.18","100","2","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MRM-2-013","MRM-2-013","","- C18 H16 F6 O7 S -","- C18 H16 F6 O7 S -","- C72 H64 F24 O28 S4 -","4","1","","Dibrell, Sara E.; Maser, Michael R.; Reisman, Sarah E.","SeO<sub>2</sub>-Mediated Oxidative Transposition of Pauson-Khand Products.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13818","","","0.71073","MoKα","","0.0357","0.0326","","","0.0807","0.082","","","","","","1.09","","","","has coordinates","249740","2020-10-21","18:00:00",""
"4134551","10.2573","0.0003","11.517","0.0003","14.0879","0.0003","90","","106.2","0.003","90","","1598.17","0.08","120","0.1","120","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C76 H112 O12 -","4","1","","Qu, Yongzheng; Wang, Zheyuan; Zhang, Zhongchao; Zhang, Wendou; Huang, Jun; Yang, Zhen","Asymmetric Total Synthesis of (+)-Waihoensene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02143","","x-ray","1.54184","CuKα","","0.0498","0.0471","","","0.1249","0.1283","","","","","","1.028","","","","has coordinates","249741","2020-10-21","18:00:00",""
"4134552","7.3618","0.0001","12.5083","0.0002","27.8448","0.0004","90","","90","","90","","2564.05","0.07","108","12","108","12","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O2 -","- C16 H20 O2 -","- C128 H160 O16 -","8","2","","Qu, Yongzheng; Wang, Zheyuan; Zhang, Zhongchao; Zhang, Wendou; Huang, Jun; Yang, Zhen","Asymmetric Total Synthesis of (+)-Waihoensene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02143","","x-ray","1.54184","CuKα","","0.0453","0.044","","","0.1161","0.1173","","","","","","1.073","","","","has coordinates","249742","2020-10-21","18:00:00",""
"4134553","12.8029","0.0003","13.1575","0.0002","16.201","0.0004","79.9877","0.0016","75.692","0.002","62.241","0.002","2334.63","0.1","183","1","183","1","","","","","","","","7","P -1","-P 1","2","","","","- C41 H38.5 F12 N6 O1.25 P2 Ru -","- C41 H38.5 F12 N6 O1.25 P2 Ru -","- C82 H77 F24 N12 O2.5 P4 Ru2 -","2","1","","Karges, Johannes; Heinemann, Franz; Jakubaszek, Marta; Maschietto, Federica; Subecz, Chloé; Dotou, Mazzarine; Vinck, Robin; Blacque, Olivier; Tharaud, Mickaël; Goud, Bruno; Viñuelas Zahı Nos, Emilio; Spingler, Bernhard; Ciofini, Ilaria; Gasser, Gilles","Rationally Designed Long-Wavelength Absorbing Ru(II) Polypyridyl Complexes as Photosensitizers for Photodynamic Therapy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13620","","x-ray","1.54184","CuKα","","0.0523","0.0491","","","0.1495","0.1562","","","","","","1.089","","","","has coordinates,has disorder","249743","2020-10-21","18:00:00",""
"4134554","11.4219","0.0003","12.376","0.0003","15.0464","0.0004","90.834","0.002","98.147","0.002","101.02","0.002","2064.73","0.09","183","1","183","1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H28 Br2 F12 N8 P2 Ru -","- C38 H28 Br2 F12 N8 P2 Ru -","- C76 H56 Br4 F24 N16 P4 Ru2 -","2","1","","Karges, Johannes; Heinemann, Franz; Jakubaszek, Marta; Maschietto, Federica; Subecz, Chloé; Dotou, Mazzarine; Vinck, Robin; Blacque, Olivier; Tharaud, Mickaël; Goud, Bruno; Viñuelas Zahı Nos, Emilio; Spingler, Bernhard; Ciofini, Ilaria; Gasser, Gilles","Rationally Designed Long-Wavelength Absorbing Ru(II) Polypyridyl Complexes as Photosensitizers for Photodynamic Therapy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13620","","x-ray","0.71073","MoKα","","0.0488","0.0398","","","0.102","0.1096","","","","","","1.031","","","","has coordinates,has disorder","249744","2020-10-21","18:00:00",""
"4134555","12.4678","0.0003","27.4167","0.0004","13.2004","0.0003","90","","118.159","0.003","90","","3978.18","0.18","183","1","183","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 F12 N8 P2 Ru -","- C36 H27 F12 N7 P2 Ru -","- C144 H108 F48 N28 P8 Ru4 -","4","1","","Karges, Johannes; Heinemann, Franz; Jakubaszek, Marta; Maschietto, Federica; Subecz, Chloé; Dotou, Mazzarine; Vinck, Robin; Blacque, Olivier; Tharaud, Mickaël; Goud, Bruno; Viñuelas Zahı Nos, Emilio; Spingler, Bernhard; Ciofini, Ilaria; Gasser, Gilles","Rationally Designed Long-Wavelength Absorbing Ru(II) Polypyridyl Complexes as Photosensitizers for Photodynamic Therapy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13620","","x-ray","1.54184","CuKα","","0.0782","0.0756","","","0.1785","0.1799","","","","","","1.15","","","","has coordinates","249745","2020-10-21","18:00:00",""
"4134556","8.0988","0.0004","27.1807","0.0012","20.3015","0.0009","90","","97.604","0.004","90","","4429.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H16 F32 N6.67 O5.33 -","- C62 H16 F32 N6.66667 O5.33333 -","- C186 H48 F96 N20 O16 -","3","0.75","","Ning, YingYing; Liu, Yi-Wei; Yang, Zi-Shu; Yao, Yuhang; Kang, Lei; Sessler, Jonathan L.; Zhang, Jun-Long","Split and Use: Structural Isomers for Diagnosis and Therapy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01155","","","1.54184","CuKα","","0.1094","0.0822","","","0.3082","0.3229","","","","","","1.146","","","","has coordinates","249746","2020-10-21","18:00:00",""
"4134557","14.376","0.0004","15.2336","0.0004","15.5883","0.0004","69.269","0.002","80.43","0.002","89.657","0.002","3143.17","0.15","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C58 H35 Co F24 N4 O14 P3 Yb -","- C58 H31 Co F24 N4 O14 P3 Yb -","- C116 H62 Co2 F48 N8 O28 P6 Yb2 -","2","1","","Ning, YingYing; Liu, Yi-Wei; Yang, Zi-Shu; Yao, Yuhang; Kang, Lei; Sessler, Jonathan L.; Zhang, Jun-Long","Split and Use: Structural Isomers for Diagnosis and Therapy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01155","","","0.71073","MoKα","","0.0646","0.0492","","","0.1077","0.1193","","","","","","1.049","","","","has coordinates","249747","2020-10-21","18:00:00",""
"4134558","16.3562","0.0006","10.8491","0.0004","30.2782","0.001","90","","90.232","0.003","90","","5372.8","0.3","180","0.1","180","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H12 Cl9 F24 N5 O4 -","- C48 H12 Cl9 F24 N5 O4 -","- C192 H48 Cl36 F96 N20 O16 -","4","1","","Ning, YingYing; Liu, Yi-Wei; Yang, Zi-Shu; Yao, Yuhang; Kang, Lei; Sessler, Jonathan L.; Zhang, Jun-Long","Split and Use: Structural Isomers for Diagnosis and Therapy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01155","","","0.71073","MoKα","","0.0796","0.0501","","","0.1042","0.1148","","","","","","1.018","","","","has coordinates","249748","2020-10-21","18:00:00",""
"4134559","16.2705","0.0002","16.7757","0.0004","28.5174","0.0007","79.887","0.002","77.355","0.002","70.447","0.002","7112.6","0.3","179.98","0.11","179.98","0.11","","","","","","","","8","P -1","-P 1","2","","","","- C56 H30 Co F24 N5 O13 P3 Yb -","- C56 H30 Co F24 N5 O13 P3 Yb -","- C224 H120 Co4 F96 N20 O52 P12 Yb4 -","4","2","","Ning, YingYing; Liu, Yi-Wei; Yang, Zi-Shu; Yao, Yuhang; Kang, Lei; Sessler, Jonathan L.; Zhang, Jun-Long","Split and Use: Structural Isomers for Diagnosis and Therapy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01155","","","0.71073","MoKα","","0.1119","0.0734","","","0.1521","0.1644","","","","","","1.078","","","","has coordinates,has disorder","249749","2020-10-21","18:00:00",""
"4134560","16.2885","0.0012","25.4252","0.0016","9.9795","0.0006","90","","92.951","0.006","90","","4127.4","0.5","293","","293","","","","","","","","","5","I 1 m 1","I -2y","8","","","","- C6 H10 I6 N2 Sn2 -","- C6 H10 I6 N2 Sn2 -","- C48 H80 I48 N16 Sn16 -","8","2","","Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00101","","x-ray","0.71073","MoKα","","0.055","0.0339","","","0.0306","0.0321","","","","1.48","1.48","1.34","","","","has coordinates","249750","2020-10-21","18:00:00",""
"4134561","25.696","0.005","10.153","0.002","16.283","0.003","90","","90.036","","90","","4248.1","1.4","298","","298","","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C6 H10 I6 N2 Pb2 -","- C6 H10 I6 N2 Pb2 -","- C48 H80 I48 N16 Pb16 -","8","2","","Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00101","","x-ray","0.71073","MoKα","","0.0506","0.0393","","","0.0401","0.0411","","","","2.25","2.25","2.12","","","","has coordinates","249751","2020-10-21","18:00:00",""
"4134562","16.3185","0.0012","25.4637","0.0016","10.0068","0.0006","90","","92.49","0.006","90","","4154.2","0.5","293","","293","","","","","","","","","5","I 1 m 1","I -2y","8","","","","- C6 H10 I6 N2 Sn2 -","- C6 H10 I6 N2 Sn2 -","- C48 H80 I48 N16 Sn16 -","8","2","","Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00101","","x-ray","0.71073","MoKα","","0.0741","0.0557","","","0.0939","0.0952","","","","4.84","4.84","4.34","","","","has coordinates","249752","2020-10-21","18:00:00",""
"4134563","16.2208","0.0012","25.4537","0.0016","10.0307","0.0006","90","","91.466","0.006","90","","4140.1","0.5","293","","293","","","","","","","","","5","I 1 m 1","I -2y","8","","","","- C6 H10 I6 N2 Sn2 -","- C6 H10 I6 N2 Sn2 -","- C48 H80 I48 N16 Sn16 -","8","2","","Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00101","","x-ray","0.71073","MoKα","","0.0979","0.0705","","","0.0688","0.0699","","","","3.53","3.53","3.14","","","","has coordinates","249753","2020-10-21","18:00:00",""
"4134564","16.3397","0.0012","25.552","0.0016","10.0204","0.0006","90","","93.13","0.006","90","","4177.4","0.5","293","","293","","","","","","","","","6","I 1 m 1","I -2y","8","","","","- C6 H10 I6 N2 Pb0.91 Sn1.09 -","- C6 H10 I6 N2 Pb0.9045 Sn1.0955 -","- C48 H80 I48 N16 Pb7.236 Sn8.764 -","8","2","","Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00101","","x-ray","0.71073","MoKα","","0.0831","0.0523","","","0.071","0.0728","","","","3.31","3.31","2.87","","","","has coordinates","249754","2020-10-21","18:00:00",""
"4134565","16.3698","0.0012","25.6376","0.0016","10.0435","0.0006","90","","93.198","0.006","90","","4208.5","0.5","293","","293","","","","","","","","","5","I 1 m 1","I -2y","8","","","","- C6 H10 I6 N2 Pb2 -","- C6 H10 I6 N2 Pb2 -","- C48 H80 I48 N16 Pb16 -","8","2","","Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00101","","x-ray","0.71073","MoKα","","0.0598","0.0542","","","0.0595","0.0598","","","","3.53","3.53","3.35","","","","has coordinates","249755","2020-10-21","18:00:00",""
"4134566","13.094","0.0019","13.229","0.002","21.32","0.003","79.228","0.004","80.542","0.004","66.249","0.004","3304.4","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H70 B3 F12 Fe2 N15 O6 -","- C52 H70 B3 F12 Fe2 N15 O6 -","- C104 H140 B6 F24 Fe4 N30 O12 -","2","1","","Jana, Manish; White, Corey J.; Pal, Nabhendu; Demeshko, Serhiy; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Models for the Mono- and Di-nitrosyl Intermediates of FNORs: Semireduction versus Superreduction of NO.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13795","","x-ray","0.71073","MoKα","","0.2176","0.0967","","","0.2368","0.3057","","","","","","1.01","","","","has coordinates,has disorder","249791","2020-10-21","18:00:00",""
"4134567","11.489","0.004","16.691","0.006","17.688","0.006","85.673","0.005","84.727","0.005","69.969","0.004","3169.7","1.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H78 B3 F12 Fe2 N14 O6 -","- C55 H78 B3 F12 Fe2 N14 O6 -","- C110 H156 B6 F24 Fe4 N28 O12 -","2","1","","Jana, Manish; White, Corey J.; Pal, Nabhendu; Demeshko, Serhiy; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Models for the Mono- and Di-nitrosyl Intermediates of FNORs: Semireduction versus Superreduction of NO.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13795","","x-ray","0.71073","MoKα","","0.1519","0.0786","","","0.1833","0.2247","","","","","","1.024","","","","has coordinates,has disorder","249791","2020-10-21","18:00:00",""
"4134568","29.597","0.003","14.1253","0.0012","29.688","0.003","90","","90","","90","","12412","2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C104 H142 B4 F16 Fe4 N26 O10 -","- C104 H142 B4 F16 Fe4 N26 O10 -","- C416 H568 B16 F64 Fe16 N104 O40 -","4","1","","Jana, Manish; White, Corey J.; Pal, Nabhendu; Demeshko, Serhiy; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Models for the Mono- and Di-nitrosyl Intermediates of FNORs: Semireduction versus Superreduction of NO.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13795","","x-ray","0.71073","MoKα","","0.085","0.0596","","","0.1446","0.1645","","","","","","1.023","","","","has coordinates,has disorder","249791","2020-10-21","18:00:00",""
"4134569","18.424","0.006","18.6","0.006","21.629","0.006","113.567","0.007","90.687","0.008","116.641","0.008","5905","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H100 B4 F16 Fe4 N20 O5 -","- C86 H100 B4 F16 Fe4 N20 O5 -","- C172 H200 B8 F32 Fe8 N40 O10 -","2","1","","Jana, Manish; White, Corey J.; Pal, Nabhendu; Demeshko, Serhiy; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Models for the Mono- and Di-nitrosyl Intermediates of FNORs: Semireduction versus Superreduction of NO.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13795","","x-ray","0.71073","MoKα","","0.2657","0.1606","","","0.409","0.475","","","","","","1.317","","","","has coordinates,has disorder","249791","2020-10-21","18:00:00",""
"4134570","30.4981","0.0011","30.4981","0.0011","11.5146","0.0004","90","","90","","120","","9275.2","0.6","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30.67 H26.67 Cu4 I4 N6 O0.67 P2 -","- C30.6666 H26.6664 Cu4 I4 N6 O0.6666 P2 -","- C275.999 H239.998 Cu36 I36 N54 O5.9994 P18 -","9","0.5","","Liu, Chun-Yu; Chen, Xu-Ran; Chen, Hui-Xian; Niu, Zheng; Hirao, Hajime; Braunstein, Pierre; Lang, Jian-Ping","Ultrafast Luminescent Light-Up Guest Detection Based on the Lock of the Host Molecular Vibration.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00368","","","0.71073","MoKα","","0.0727","0.0392","","","0.0866","0.1128","","","","","","1.057","","","","has coordinates,has disorder","249792","2020-10-21","18:00:00",""
"4134571","30.0438","0.0012","30.0438","0.0012","11.4013","0.0005","90","","90","","120","","8912.4","0.6","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C31.33 H28 Cu4 I4 N6 O0.67 P2 -","- C31.3332 H27.9996 Cu4 I4 N6 O0.6666 P2 -","- C281.999 H251.996 Cu36 I36 N54 O5.9994 P18 -","9","0.5","","Liu, Chun-Yu; Chen, Xu-Ran; Chen, Hui-Xian; Niu, Zheng; Hirao, Hajime; Braunstein, Pierre; Lang, Jian-Ping","Ultrafast Luminescent Light-Up Guest Detection Based on the Lock of the Host Molecular Vibration.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00368","","","0.71073","MoKα","","0.1423","0.1032","","","0.2967","0.3437","","","","","","1.118","","","","has coordinates,has disorder","249792","2020-10-21","18:00:00",""
"4134572","10.0085","0.0011","20.427","0.002","14.7521","0.0016","90","","102.161","0.002","90","","2948.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 N O8 S -","- C32 H31 N O8 S -","- C128 H124 N4 O32 S4 -","4","1","","Fan, Liangxin; Hao, Jiamao; Yu, Jingxun; Ma, Xiaojun; Liu, Jingjing; Luan, Xinjun","Hydroxylamines as Bifunctional Single-Nitrogen Sources for the Rapid Assembly of Diverse Tricyclic Indole Scaffolds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00403","","","0.71073","MoKα","","0.0744","0.0462","","","0.1129","0.1278","","","","","","1.035","","","","has coordinates","249793","2020-10-21","18:00:00",""
"4134573","10.755","0.003","13.715","0.004","11.281","0.003","90","","100.786","0.004","90","","1634.6","0.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H42 N2 O5 S -","- C36 H42 N2 O5 S -","- C72 H84 N4 O10 S2 -","2","1","","Fan, Liangxin; Hao, Jiamao; Yu, Jingxun; Ma, Xiaojun; Liu, Jingjing; Luan, Xinjun","Hydroxylamines as Bifunctional Single-Nitrogen Sources for the Rapid Assembly of Diverse Tricyclic Indole Scaffolds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00403","","","0.71073","MoKα","","0.055","0.0441","","","0.1248","0.1417","","","","","","1.058","","","","has coordinates","249794","2020-10-21","18:00:00",""
"4134574","7.1258","0.0011","11.6075","0.0017","17.716","0.003","99.633","0.003","90.185","0.003","103.543","0.003","1403.1","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 Br N O6 S -","- C30 H28 Br N O6 S -","- C60 H56 Br2 N2 O12 S2 -","2","1","","Fan, Liangxin; Hao, Jiamao; Yu, Jingxun; Ma, Xiaojun; Liu, Jingjing; Luan, Xinjun","Hydroxylamines as Bifunctional Single-Nitrogen Sources for the Rapid Assembly of Diverse Tricyclic Indole Scaffolds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00403","","","0.71073","MoKα","","0.0818","0.0467","","","0.0993","0.1249","","","","","","1.023","","","","has coordinates","249795","2020-10-21","18:00:00",""
"4134575","10.4805","0.0019","14.527","0.003","15.293","0.003","90","","100.045","0.003","90","","2292.7","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 I N2 Pd -","- C27 H23 I N2 Pd -","- C108 H92 I4 N8 Pd4 -","4","1","","Fan, Liangxin; Hao, Jiamao; Yu, Jingxun; Ma, Xiaojun; Liu, Jingjing; Luan, Xinjun","Hydroxylamines as Bifunctional Single-Nitrogen Sources for the Rapid Assembly of Diverse Tricyclic Indole Scaffolds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00403","","","0.71073","MoKα","","0.0338","0.0262","","","0.0621","0.0659","","","","","","1.087","","","","has coordinates","249796","2020-10-21","18:00:00",""
"4134576","10.262","0.002","11.446","0.003","12.83","0.003","72.823","0.004","78.115","0.004","75.963","0.004","1382","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H27 Cl N2 O6 S -","- C29 H27 Cl N2 O6 S -","- C58 H54 Cl2 N4 O12 S2 -","2","1","","Fan, Liangxin; Hao, Jiamao; Yu, Jingxun; Ma, Xiaojun; Liu, Jingjing; Luan, Xinjun","Hydroxylamines as Bifunctional Single-Nitrogen Sources for the Rapid Assembly of Diverse Tricyclic Indole Scaffolds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00403","","","0.71073","MoKα","","0.1177","0.0683","","","0.1821","0.2242","","","","","","1.053","","","","has coordinates","249797","2020-10-21","18:00:00",""
"4134577","9.2157","0.0019","10.454","0.002","13.746","0.003","92.427","0.003","93.426","0.003","92.778","0.004","1319","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H33 N O4 S -","- C31 H33 N O4 S -","- C62 H66 N2 O8 S2 -","2","1","","Fan, Liangxin; Hao, Jiamao; Yu, Jingxun; Ma, Xiaojun; Liu, Jingjing; Luan, Xinjun","Hydroxylamines as Bifunctional Single-Nitrogen Sources for the Rapid Assembly of Diverse Tricyclic Indole Scaffolds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00403","","","0.71073","MoKα","","0.1089","0.0658","","","0.1641","0.2223","","","","","","0.99","","","","has coordinates","249798","2020-10-21","18:00:00",""
"4134578","18.317","0.004","15.482","0.004","18.981","0.004","90","","94.555","0.005","90","","5366","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N2 O4 S2 -","- C30 H26 N2 O4 S2 -","- C240 H208 N16 O32 S16 -","8","2","","Fan, Liangxin; Hao, Jiamao; Yu, Jingxun; Ma, Xiaojun; Liu, Jingjing; Luan, Xinjun","Hydroxylamines as Bifunctional Single-Nitrogen Sources for the Rapid Assembly of Diverse Tricyclic Indole Scaffolds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00403","","","0.71073","MoKα","","0.181","0.0724","","","0.1443","0.1918","","","","","","1.091","","","","has coordinates","249799","2020-10-21","18:00:00",""
"4134579","19.7144","0.0004","19.2488","0.0004","20.5275","0.0004","90","","109.682","0.002","90","","7334.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C83.5 H34.47 Au F30 N6 O Pd -","- C83.5 H34.472 Au F30 N6 O Pd -","- C334 H137.888 Au4 F120 N24 O4 Pd4 -","4","1","","Wang, Yue; Kai, Hiroto; Ishida, Masatoshi; Gokulnath, Sabapathi; Mori, Shigeki; Murayama, Tomotaka; Muranaka, Atsuya; Uchiyama, Masanobu; Yasutake, Yuhsuke; Fukatsu, Susumu; Notsuka, Yusuke; Yamaoka, Yoshihisa; Hanafusa, Mamiko; Yoshizawa, Michito; Kim, Gakhyun; Kim, Dongho; Furuta, Hiroyuki","Synthesis of a Black Dye with Absorption Capabilities Across the Visible-to-Near-Infrared Region: A MO-Mixing Approach via Heterometal Coordination of Expanded Porphyrinoid.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01824","","","0.71073","MoKα","","0.071","0.0463","","","0.0986","0.1072","","","","","","1.048","","","","has coordinates,has disorder","249838","2020-10-21","18:00:00",""
"4134580","73.5784","0.0008","73.5784","0.0008","73.5784","0.0008","90","","90","","90","","398337","8","298","","298","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","MUV-101(Co)","- C306 H102 Co34 O390.8 Ti17 -","- C306 H102 Co34 O390.8 Ti17 -","- C4896 H1632 Co544 O6252.8 Ti272 -","16","0.0833333","","M Padial, Natalia; Lerma-Berlanga, Belen; Almora-Barrios, Neyvis; Castells-Gil, Javier; da Silva, Ivan; de la Mata, María; Molina, Sergio I.; Hernández-Saz, Jesús; Platero-Prats, Ana E; Tatay, Sergio; Marti-Gastaldo, Carlos","Heterometallic titanium-organic frameworks by metal-induced dynamic topological transformations.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00117","powder diffraction","","0.442655","synchrotron","","3.79005","","","","","","","","1.77258","","","","","","","has coordinates","249839","2020-10-21","18:00:00",""
"4134581","24.196","0.005","17.771","0.004","10.927","0.002","90","","92.74","0.03","90","","4693.1","1.7","100","0.1","100","0.01","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mg-CUK-1L incl. o-Xylene","","","- C50 H46 Mg3 N2 O10 -","- C50 H46 Mg3 N2 O10 -","- C200 H184 Mg12 N8 O40 -","4","0.5","","He, Junpeng; Aggarwal, Kanchan; Katyal, Naman; He, Shichao; Chiang, Edward; Dunning, Samuel G.; Reynolds, 3rd, Joseph E; Steiner, Alexander; Henkelman, Graeme; Que, Emily L.; Humphrey, Simon M.","Reversible Solid-State Isomerism of Azobenzene-Loaded Large-Pore Isoreticular Mg-CUK-1.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13793","","x-ray","1.54184","CuKα","","0.1041","0.0838","","","0.2177","0.2345","","","","","","1.096","","","","has coordinates,has disorder","249872","2020-10-21","18:00:00",""
"4134582","23.44","0.0004","18.8301","0.0003","10.91659","0.00018","90","","93.4812","0.0017","90","","4809.45","0.14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mg-CUK-1L; As-Synthesized; Hydrated","","","- C26 H54 Mg3 N2 O29 -","- C26 H16 Mg3 N2 O29 -","- C104 H64 Mg12 N8 O116 -","4","0.5","","He, Junpeng; Aggarwal, Kanchan; Katyal, Naman; He, Shichao; Chiang, Edward; Dunning, Samuel G.; Reynolds, 3rd, Joseph E; Steiner, Alexander; Henkelman, Graeme; Que, Emily L.; Humphrey, Simon M.","Reversible Solid-State Isomerism of Azobenzene-Loaded Large-Pore Isoreticular Mg-CUK-1.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13793","","x-ray","1.54184","CuKα","","0.0698","0.0686","","","0.2045","0.2059","","","","","","1.048","","","","has coordinates","249873","2020-10-21","18:00:00",""
"4134583","24.22","0.005","17.812","0.004","10.975","0.002","90","","92.83","0.03","90","","4728.9","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mg-CUK-1L Dehydrated","","","- C26 H21 Mg3 N2 O12.5 -","- C26 H16 Mg3 N2 O12.5 -","- C104 H64 Mg12 N8 O50 -","4","0.5","","He, Junpeng; Aggarwal, Kanchan; Katyal, Naman; He, Shichao; Chiang, Edward; Dunning, Samuel G.; Reynolds, 3rd, Joseph E; Steiner, Alexander; Henkelman, Graeme; Que, Emily L.; Humphrey, Simon M.","Reversible Solid-State Isomerism of Azobenzene-Loaded Large-Pore Isoreticular Mg-CUK-1.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13793","","x-ray","1.54184","CuKα","","0.1196","0.0992","","","0.2669","0.2883","","","","","","1.078","","","","has coordinates","249874","2020-10-21","18:00:00",""
"4134584","10.937","0.003","14.947","0.003","15.041","0.004","71.41","0.018","86.86","0.02","88.896","0.016","2327","1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","Mg-CUK-1L incl. AzB","","","- C50 H36 Mg3 N6 O10 -","- C50 H36 Mg3 N6 O10 -","- C100 H72 Mg6 N12 O20 -","2","1","","He, Junpeng; Aggarwal, Kanchan; Katyal, Naman; He, Shichao; Chiang, Edward; Dunning, Samuel G.; Reynolds, 3rd, Joseph E; Steiner, Alexander; Henkelman, Graeme; Que, Emily L.; Humphrey, Simon M.","Reversible Solid-State Isomerism of Azobenzene-Loaded Large-Pore Isoreticular Mg-CUK-1.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13793","","x-ray","1.54184","CuKα","","0.1981","0.1337","","","0.3114","0.3805","","","","","","0.957","","","","has coordinates","249875","2020-10-21","18:00:00",""
"4134585","16.279","0.0003","17.6696","0.0003","19.8265","0.0003","90","","101.277","0.0005","90","","5592.86","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C80 H52 O4 -","- C80 H52 O4 -","- C320 H208 O16 -","4","1","","Moore, Jeffrey S.; Jiang, Xing; Laffoon, Summer D.; Chen, Dandan; Pérez-Estrada, Salvador; Danis, Andrew S.; Rodríguez-López, Joaquín; Garcia-Garibay, Miguel A; Zhu, Jun","Kinetic Control in the Synthesis of a Möbius Tris((ethynyl)[5]helicene) Macrocycle Using Alkyne Metathesis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01430","","","0.71073","MoKα","","0.0554","0.0487","","","0.1211","0.1269","","","","","","1.029","","","","has coordinates,has disorder","249876","2020-10-21","18:00:00",""
"4134586","11.47","0.002","13.122","0.004","22.181","0.004","90","","91.554","0.017","90","","3337.2","1.3","298.85","","298.85","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C70 H93 Cl O12 -","- C70 H93 Cl O12 -","- C140 H186 Cl2 O24 -","2","0.5","","Zhou, Yujuan; Jie, Kecheng; Zhao, Run; Li, Errui; Huang, Feihe","Highly Selective Removal of Trace Isomers by Nonporous Adaptive Pillararene Crystals for Chlorobutane Purification.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02684","","","1.54178","CuKα","","0.1397","0.0638","","","0.1336","0.1692","","","","","","1.004","","","","has coordinates,has disorder","249877","2020-10-21","18:00:00",""
"4134587","12.3608","0.001","14.645","0.0012","23.0103","0.0017","79.48","0.005","74.424","0.005","65.366","0.005","3635.4","0.5","102","2","102.36","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H93 Cl O12 -","- C70 H93 Cl O12 -","- C140 H186 Cl2 O24 -","2","1","","Zhou, Yujuan; Jie, Kecheng; Zhao, Run; Li, Errui; Huang, Feihe","Highly Selective Removal of Trace Isomers by Nonporous Adaptive Pillararene Crystals for Chlorobutane Purification.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02684","","","1.34139","GaKα","","0.2539","0.2134","","","0.4221","0.4429","","","","","","0.89","","","","has coordinates","249878","2020-10-21","18:00:00",""
"4134588","12.3859","0.0002","15.1577","0.0003","13.1632","0.0002","90","","103.212","0.0009","90","","2405.87","0.07","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H35 N3 O7 Os -","- C20 H35 N3 O7 Os -","- C80 H140 N12 O28 Os4 -","4","2","","Smith, Kendrick L.; Padgett, Cody L.; Mackay, William D.; Johnson, Jeffrey S.","Catalytic, Asymmetric Dearomative Synthesis of Complex Cyclohexanes via a Highly Regio- and Stereoselective Arene Cyclopropanation Using α-Cyanodiazoacetates","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13080","","","1.54178","CuKα","","0.0329","0.0313","","0.0686","0.0678","0.0686","","","","","","1.026","","","","has coordinates","249879","2020-10-21","18:00:00",""
"4134589","6.2622","0.0001","10.0039","0.0001","31.7656","0.0005","90","","90","","90","","1990","0.05","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N4 O4 -","- C22 H22 N4 O4 -","- C88 H88 N16 O16 -","4","1","","Smith, Kendrick L.; Padgett, Cody L.; Mackay, William D.; Johnson, Jeffrey S.","Catalytic, Asymmetric Dearomative Synthesis of Complex Cyclohexanes via a Highly Regio- and Stereoselective Arene Cyclopropanation Using α-Cyanodiazoacetates","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13080","","","1.54178","CuKα","","0.0289","0.0286","","","0.0981","0.0988","","","","","","0.96","","","","has coordinates","249880","2020-10-21","18:00:00",""
"4134590","7.8458","0.0001","19.9207","0.0002","24.0461","0.0001","85.631","0.001","83.572","0.001","87.686","0.001","3721.85","0.06","169.99","0.1","169.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C98 H78 N2 O4 -","- C98 H78 N2 O4 -","- C196 H156 N4 O8 -","2","1","","Liu, Bo; Böckmann, Marcus; Jiang, Wei; Doltsinis, Nikos L.; Wang, Zhaohui","Perylene Diimide-Embedded Double [8]Helicenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00954","","","1.54184","CuKα","","0.117","0.1106","","","0.3784","0.3952","","","","","","1.89","","","","has coordinates","249919","2020-10-21","18:00:00",""
"4134591","15.2028","0.0003","14.7948","0.0002","20.705","0.0007","90","","104.281","0.003","90","","4513.1","0.2","169.99","0.12","169.99","0.12","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C102 H82 Cl12 N2 O4 -","- C102 H82 Cl12 N2 O4 -","- C204 H164 Cl24 N4 O8 -","2","1","","Liu, Bo; Böckmann, Marcus; Jiang, Wei; Doltsinis, Nikos L.; Wang, Zhaohui","Perylene Diimide-Embedded Double [8]Helicenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00954","","x-ray","1.54184","CuKα","","0.2094","0.1532","","","0.361","0.3859","","","","","","2.102","","","","has coordinates","249920","2020-10-21","18:00:00",""
"4134592","15.1377","0.0002","19.4899","0.0003","22.4137","0.0002","106.704","0.001","98.601","0.001","105.017","0.001","5935.33","0.15","169.99","0.1","169.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C72 H66 N2 O4 -","- C72 H66 N2 O4 -","- C288 H264 N8 O16 -","4","2","","Liu, Bo; Böckmann, Marcus; Jiang, Wei; Doltsinis, Nikos L.; Wang, Zhaohui","Perylene Diimide-Embedded Double [8]Helicenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00954","","","1.54184","CuKα","","0.1216","0.111","","","0.362","0.3817","","","","","","1.717","","","","has coordinates","249921","2020-10-21","18:00:00",""
"4134593","7.7158","0.0001","15.2504","0.0003","16.7377","0.0003","69.44","0.002","82.721","0.002","80.783","0.001","1814.96","0.06","169.98","0.1","169.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C99 H79 Cl3 N2 O4 -","- C99 H79 Cl3 N2 O4 -","- C99 H79 Cl3 N2 O4 -","1","0.5","","Liu, Bo; Böckmann, Marcus; Jiang, Wei; Doltsinis, Nikos L.; Wang, Zhaohui","Perylene Diimide-Embedded Double [8]Helicenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00954","","x-ray","1.54184","CuKα","","0.0777","0.0738","","","0.2179","0.2227","","","","","","1.05","","","","has coordinates,has disorder","249922","2020-10-21","18:00:00",""
"4134594","16.3803","0.0003","29.3997","0.0006","34.6846","0.0005","70.914","0.002","88.745","0.001","88.207","0.001","15776.1","0.5","169.99","0.13","169.99","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C392 H312 N8 O16 -","- C392 H312 N8 O16 -","- C784 H624 N16 O32 -","2","1","","Liu, Bo; Böckmann, Marcus; Jiang, Wei; Doltsinis, Nikos L.; Wang, Zhaohui","Perylene Diimide-Embedded Double [8]Helicenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00954","","x-ray","1.54184","CuKα","","0.2294","0.1979","","","0.4492","0.478","","","","","","1.782","","","","has coordinates,has disorder","249923","2020-10-21","18:00:00",""
"4134595","15.2129","0.0004","14.7868","0.0004","20.7684","0.0007","90","","103.878","0.003","90","","4535.5","0.2","169.99","0.11","169.99","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C102 H82 Cl12 N2 O4 -","- C102 H82 Cl12 N2 O4 -","- C204 H164 Cl24 N4 O8 -","2","1","","Liu, Bo; Böckmann, Marcus; Jiang, Wei; Doltsinis, Nikos L.; Wang, Zhaohui","Perylene Diimide-Embedded Double [8]Helicenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00954","","x-ray","1.54184","CuKα","","0.1559","0.1375","","","0.3298","0.3437","","","","","","2.337","","","","has coordinates","249924","2020-10-21","18:00:00",""
"4134596","13.86","0.0003","17.3797","0.0005","35.4965","0.0005","83.053","0.002","83.981","0.002","77.853","0.002","8269.9","0.3","169.99","0.13","169.99","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C98 H78 N2 O4 -","- C98 H78 N2 O4 -","- C392 H312 N8 O16 -","4","2","","Liu, Bo; Böckmann, Marcus; Jiang, Wei; Doltsinis, Nikos L.; Wang, Zhaohui","Perylene Diimide-Embedded Double [8]Helicenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00954","","","1.54178","CuKα","","0.2147","0.1651","","","0.4012","0.4326","","","","","","1.291","","","","has coordinates,has disorder","249925","2020-10-21","18:00:00",""
"4134597","34.7822","0.0006","34.7822","0.0006","34.7822","0.0006","90","","90","","90","","42079.6","1.3","100","2","100","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","EuHHTP","","Eu6HOTP2 Metal-Organic Framework","- C36 H12 Eu6 N6.23 O38.28 -","- C36 H12 Eu6 N6.232 O38.287 -","- C576 H192 Eu96 N99.712 O612.592 -","16","0.0833333","","Skorupskii, Grigorii; Dinca, Mircea","Electrical conductivity in a porous, cubic rare-earth catecholate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01713","","","0.71073","MoKα","","0.0595","0.0466","","","0.113","0.1235","","","","","","1.136","","","","has coordinates,has disorder","249926","2020-10-21","18:00:00",""
"4134598","35.2393","0.0017","35.2393","0.0017","35.2393","0.0017","90","","90","","90","","43760","4","100","2","100","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","La6HOTP2 metal-organic framework","","","- C36 H12 La6 N3.9 O41.64 -","- C36 H12 La6 N3.898 O41.64 -","- C576 H192 La96 N62.368 O666.24 -","16","0.0833333","","Skorupskii, Grigorii; Dinca, Mircea","Electrical conductivity in a porous, cubic rare-earth catecholate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01713","","","0.71073","MoKα","","0.0686","0.0509","","","0.1391","0.1579","","","","","","1.184","","","","has coordinates,has disorder","249927","2020-10-21","18:00:00",""
"4134599","34.785","0.003","34.785","0.003","34.785","0.003","90","","90","","90","","42090","6","100","2","100","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","Y6HOTP2 metal-organic framework","","","- C18 H6 N2.69 O18.69 Y3 -","- C18 H6 N2.687 O18.687 Y3 -","- C576 H192 N85.984 O597.984 Y96 -","32","0.166667","","Skorupskii, Grigorii; Dinca, Mircea","Electrical conductivity in a porous, cubic rare-earth catecholate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01713","","","0.71073","MoKα","","0.0565","0.045","","","0.1178","0.1223","","","","","","1.082","","","","has coordinates,has disorder","249928","2020-10-21","18:00:00",""
"4134600","17.8071","0.0013","20.7861","0.0017","11.1015","0.0008","90","","90","","90","","4109.1","0.5","123","2","123","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C42.5 H32 Cl5 F3 N2 O Pd -","- C42.5 H32 Cl5 F3 N2 O Pd -","- C170 H128 Cl20 F12 N8 O4 Pd4 -","4","1","","Tran, Quan H.; Brookhart, Maurice; Daugulis, Olafs","New Neutral Nickel and Palladium Sandwich Catalysts: Synthesis of Ultra-High Molecular Weight Polyethylene (UHMWPE) via Highly Controlled Polymerization and Mechanistic Studies of Chain Propagation.","Journal of the American Chemical Society","2020","142","15","7198","7206","10.1021/jacs.0c02045","","","0.71073","MoKα","","0.0326","0.0287","","","0.0642","0.0663","","","","","","1.022","","","","has coordinates","251468","2020-10-21","18:00:00",""
"4134601","11.4494","0.0005","18.261","0.0009","19.2278","0.0009","91.268","0.002","95.438","0.002","95.772","0.002","3979.7","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H27 Cl4 F3 N2 O Pd -","- C44 H27 Cl4 F3 N2 O Pd -","- C176 H108 Cl16 F12 N8 O4 Pd4 -","4","2","","Tran, Quan H.; Brookhart, Maurice; Daugulis, Olafs","New Neutral Nickel and Palladium Sandwich Catalysts: Synthesis of Ultra-High Molecular Weight Polyethylene (UHMWPE) via Highly Controlled Polymerization and Mechanistic Studies of Chain Propagation.","Journal of the American Chemical Society","2020","142","15","7198","7206","10.1021/jacs.0c02045","","","1.54178","CuKα","","0.0317","0.0295","","","0.0787","0.0805","","","","","","1.025","","","","has coordinates","251468","2020-10-21","18:00:00",""
"4134602","11.3097","0.001","16.5092","0.0015","21.156","0.002","90","","91.13","0.001","90","","3949.4","0.6","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H26 Cl4 F6 N2 Ni O -","- C45 H26 Cl4 F6 N2 Ni O -","- C180 H104 Cl16 F24 N8 Ni4 O4 -","4","1","","Tran, Quan H.; Brookhart, Maurice; Daugulis, Olafs","New Neutral Nickel and Palladium Sandwich Catalysts: Synthesis of Ultra-High Molecular Weight Polyethylene (UHMWPE) via Highly Controlled Polymerization and Mechanistic Studies of Chain Propagation.","Journal of the American Chemical Society","2020","142","15","7198","7206","10.1021/jacs.0c02045","","","0.71073","MoKα","","0.0378","0.0309","","","0.0753","0.0787","","","","","","1.045","","","","has coordinates,has disorder","251468","2020-10-21","18:00:00",""
"4134603","27.604","0.004","27.604","0.004","27.604","0.004","90","","90","","90","","21034","5","100","","100","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C119.85 H139.65 Fe8 N31.95 O61.95 -","- C119.85 H139.65 Fe8 N31.95 O61.95 -","- C479.4 H558.6 Fe32 N127.8 O247.8 -","4","0.333333","","Chiong, Jerika A.; Zhu, Jie; Bailey, Jake B.; Kalaj, Mark; Subramanian, Rohit; Xu, Wenqian; Cohen, Seth M.; Tezcan, F. Akif","An Exceptionally Stable Metal-Organic Framework Constructed from Chelate-based Metal-Organic Polyhedra.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01626","","","0.71073","MoKα","","0.071","0.057","","","0.1368","0.1455","","","","","","1.053","","","","has coordinates","249933","2020-10-21","18:00:00",""
"4134604","13.4811","0.0003","19.2956","0.0004","26.5465","0.0005","90","","90","","90","","6905.4","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H71.5 Cl7.5 N6 O9 -","- C68 H71.5 Cl7.5 N6 O9 -","- C272 H286 Cl30 N24 O36 -","4","1","","Yousefi, Roozbeh; Sarkar, Aritra; Ashtekar, Kumar; Whitehead, Daniel C.; Kakeshpour, Tayeb; Holmes, Daniel; Reed, Paul; Jackson, James E.; Borhan, Babak","Mechanistic Insights into the Origin of Stereoselectivity in an Asymmetric Chlorolactonization Catalyzed by (DHQD)<sub>2</sub>PHAL.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01830","","","1.54178","CuKα","","0.109","0.0713","","","0.1911","0.2225","","","","","","1.029","","","","has coordinates,has disorder","249974","2020-10-21","18:00:00",""
"4134605","10.082","0.005","10.59","0.005","13.103","0.007","84.987","0.015","86.295","0.015","62.063","0.01","1230.8","1.1","295","2","294.66","","","","","","","","","6","P -1","-P 1","2","","SIFSIX-23-Cu-beta2","","- C24 H20 Cu F6 N8 Si -","- C24 H20 Cu F6 N8 Si -","- C48 H40 Cu2 F12 N16 Si2 -","2","1","","Song, Bai-Qiao; Yang, Qing-Yuan; Wang, Shi-Qiang; Vandichel, Matthias; Kumar, Amrit; Crowley, Clare M.; Kumar, Naveen; Deng, Cheng-Hua; Gascon Perez, Victoria; Lusi, Matteo; Wu, Hui; Zhou, Wei; Zaworotko, Michael J.","Reversible switching between nonporous and porous phases of a new SIFSIX coordination network induced by a flexible linker ligand.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01314","","","0.71073","MoKα","","0.1783","0.1047","","","0.2723","0.3278","","","","","","1.042","","","","has coordinates","250007","2020-10-21","18:00:00",""
"4134606","10.4165","0.0008","11.6479","0.0008","12.239","0.0012","64.535","0.004","71.549","0.005","74.498","0.003","1256.77","0.19","150","2","150","","","","","","","","","7","P -1","-P 1","2","","SIFSIX-23-Cu-beta1","","- C24 H22 Cu F6 N8 O Si -","- C24 H22 Cu F6 N8 O Si -","- C48 H44 Cu2 F12 N16 O2 Si2 -","2","1","","Song, Bai-Qiao; Yang, Qing-Yuan; Wang, Shi-Qiang; Vandichel, Matthias; Kumar, Amrit; Crowley, Clare M.; Kumar, Naveen; Deng, Cheng-Hua; Gascon Perez, Victoria; Lusi, Matteo; Wu, Hui; Zhou, Wei; Zaworotko, Michael J.","Reversible switching between nonporous and porous phases of a new SIFSIX coordination network induced by a flexible linker ligand.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01314","","","1.54178","CuKα","","0.1821","0.1333","","","0.3287","0.36","","","","","","1.08","","","","has coordinates","250008","2020-10-21","18:00:00",""
"4134607","40.116","0.003","20.2528","0.0012","23.0493","0.0015","90","","100.858","0.006","90","","18391","2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C198 H208 N8 O16 -","- C198 H208 N8 O16 -","- C792 H832 N32 O64 -","4","1","","Schuster, Nathaniel J.; Joyce, Leo A.; Paley, Daniel W.; Ng, Fay; Steigerwald, Michael L.; Nuckolls, Colin","The Structural Origins of Intense Circular Dichroism in a Waggling Helicene Nanoribbon.","Journal of the American Chemical Society","2020","142","15","7066","7074","10.1021/jacs.0c00646","","x-ray","1.54184","CuKα","","0.3035","0.1806","","","0.4585","0.5347","","","","","","1.327","","","","has coordinates","251467","2020-10-21","18:00:00",""
"4134608","7.9199","0.0002","11.2795","0.0003","14.9844","0.0004","91.4157","0.0017","90.3788","0.0019","90.853","0.002","1338","0.06","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C16 H17 F3 -","- C15.9993 H17 F2.99775 -","- C63.997 H68 F11.991 -","4","4","","Kutateladze, Dennis A.; Strassfeld, Daniel A.; Jacobsen, Eric N.","Enantioselective Tail-to-Head Cyclizations Catalyzed by Dual-Hydrogen-Bond Donors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02665","","","1.54178","CuKα","","0.0602","0.0511","","","0.1281","0.1356","","","","","","1.03","","","","has coordinates,has disorder","250010","2020-10-21","18:00:00",""
"4134609","28.8499","0.0008","30.8381","0.0009","41.3583","0.0012","90","","92.334","0.002","90","","36765","1.8","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","PFC-11","","- C24 H15 N3 O6 -","- C24 H15 N3 O6 -","- C1248 H780 N156 O312 -","52","13","","Li, Yu-Lin; Alexandrov, Eugeny V.; Yin, Qi; Li, Lan; Fang, Zhi-Bin; Yuan, Wenbing; Proserpio, Davide M.; Liu, Tian-Fu","Record Complexity in the Polycatenation of Three Porous Hydrogen-bonded Organic Frameworks with Stepwise Adsorption Behaviors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02406","","x-ray","1.54178","CuKα","","0.1453","0.0941","","","0.2752","0.3182","","","","","","1.022","","","","has coordinates","250011","2020-10-21","18:00:00",""
"4134610","30.91","","27.384","","20.633","","90","","90","","90","","17464.6","","273","2","272.99","","","","","","","","","4","C m c e","-C 2ac 2","64","","PFC-12","","- C24 H15 N3 O6 -","- C24 H15 N3 O6 -","- C576 H360 N72 O144 -","24","1.5","","Li, Yu-Lin; Alexandrov, Eugeny V.; Yin, Qi; Li, Lan; Fang, Zhi-Bin; Yuan, Wenbing; Proserpio, Davide M.; Liu, Tian-Fu","Record Complexity in the Polycatenation of Three Porous Hydrogen-bonded Organic Frameworks with Stepwise Adsorption Behaviors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02406","","x-ray","1.54178","CuKα","","0.1778","0.0789","","","0.2219","0.3022","","","","","","0.923","","","","has coordinates","250012","2020-10-21","18:00:00",""
"4134611","26.4904","0.001","41.3829","0.0015","30.8788","0.0012","90","","90","","90","","33851","2","100","2","100.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","PFC-13","","- C24 H15 N3 O6 -","- C24 H15 N3 O6 -","- C1152 H720 N144 O288 -","48","6","","Li, Yu-Lin; Alexandrov, Eugeny V.; Yin, Qi; Li, Lan; Fang, Zhi-Bin; Yuan, Wenbing; Proserpio, Davide M.; Liu, Tian-Fu","Record Complexity in the Polycatenation of Three Porous Hydrogen-bonded Organic Frameworks with Stepwise Adsorption Behaviors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02406","","x-ray","0.71073","MoKα","","0.1345","0.0783","","","0.2187","0.2622","","","","","","1.032","","","","has coordinates","250013","2020-10-21","18:00:00",""
"4134612","21.493","0.006","29.212","0.008","36.334","0.011","90","","90","","90","","22812","11","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C178 H179 F72 N24 O0.5 S6 Se6 -","- C178 H179 F72 N24 O0.5 S6 Se6 -","- C712 H716 F288 N96 O2 S24 Se24 -","4","1","","Lin, Yingfu; Hirschi, William J.; Kunadia, Anuj; Paul, Anirudra; Ghiviriga, Ion; Abboud, Khalil A.; Karugu, Rachael W.; Vetticatt, Mathew J.; Hirschi, Jennifer S.; Seidel, Daniel","A Selenourea-Thiourea Brønsted Acid Catalyst Facilitates Asymmetric Conjugate Additions of Amines to α,β-Unsaturated Esters.","Journal of the American Chemical Society","2020","142","12","5627","5635","10.1021/jacs.9b12457","","","0.71073","MoKα","","0.1539","0.0719","","","0.1654","0.1846","","","","","","1.003","","","","has coordinates,has disorder","250027","2020-10-21","18:00:00",""
"4134613","9.7669","0.0011","7.0025","0.0005","10.1992","0.0012","90","","112.658","0.014","90","","643.71","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H16 N4 Ni O7 -","- C8 H16 N4 Ni O7 -","- C16 H32 N8 Ni2 O14 -","2","1","","Deng, Bin-Bin; Xu, Chu-Chu; Cheng, Ting-Ting; Yang, Yi-Ting; Hu, Yan-Ting; Wang, Pan; He, Wen-Hui; Yang, Meng-Juan; Liao, Wei-Qiang","Homochiral Nickel Nitrite ABX<sub>3</sub> (X = NO<sub>2</sub><sup>-</sup>) Perovskite Ferroelectrics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02580","","","0.71073","MoKα","","0.0795","0.0541","","","0.1007","0.1131","","","","","","1.001","","","","has coordinates","250404","2020-10-21","18:00:00",""
"4134614","9.9112","0.0002","6.8771","0.0001","10.4391","0.0002","90","","113.921","0.002","90","","650.42","0.02","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H15 F N4 Ni O7 -","- C8 H15 F N4 Ni O7 -","- C16 H30 F2 N8 Ni2 O14 -","2","1","","Deng, Bin-Bin; Xu, Chu-Chu; Cheng, Ting-Ting; Yang, Yi-Ting; Hu, Yan-Ting; Wang, Pan; He, Wen-Hui; Yang, Meng-Juan; Liao, Wei-Qiang","Homochiral Nickel Nitrite ABX<sub>3</sub> (X = NO<sub>2</sub><sup>-</sup>) Perovskite Ferroelectrics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02580","","","1.54178","CuKα","","0.0342","0.0301","","","0.0669","0.074","","","","","","1.001","","","","has coordinates","250405","2020-10-21","18:00:00",""
"4134615","9.7772","0.0002","7.006","0.0001","10.2094","0.0002","90","","112.707","0.002","90","","645.13","0.02","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H16 N4 Ni O7 -","- C8 H16 N4 Ni O7 -","- C16 H32 N8 Ni2 O14 -","2","1","","Deng, Bin-Bin; Xu, Chu-Chu; Cheng, Ting-Ting; Yang, Yi-Ting; Hu, Yan-Ting; Wang, Pan; He, Wen-Hui; Yang, Meng-Juan; Liao, Wei-Qiang","Homochiral Nickel Nitrite ABX<sub>3</sub> (X = NO<sub>2</sub><sup>-</sup>) Perovskite Ferroelectrics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02580","","","1.54178","CuKα","","0.027","0.0245","","","0.061","0.0656","","","","","","1.005","","","","has coordinates","250406","2020-10-21","18:00:00",""
"4134616","9.9291","0.0003","6.87","0.0002","10.457","0.0003","90","","114.028","0.004","90","","651.49","0.04","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H15 F N4 Ni O7 -","- C8 H15 F N4 Ni O7 -","- C16 H30 F2 N8 Ni2 O14 -","2","1","","Deng, Bin-Bin; Xu, Chu-Chu; Cheng, Ting-Ting; Yang, Yi-Ting; Hu, Yan-Ting; Wang, Pan; He, Wen-Hui; Yang, Meng-Juan; Liao, Wei-Qiang","Homochiral Nickel Nitrite ABX<sub>3</sub> (X = NO<sub>2</sub><sup>-</sup>) Perovskite Ferroelectrics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02580","","","1.54178","CuKα","","0.0505","0.0437","","","0.1042","0.1243","","","","","","1.006","","","","has coordinates","250407","2020-10-21","18:00:00",""
"4134617","7.338","0.0004","7.4214","0.0004","8.9759","0.0004","92.332","0.003","102.352","0.004","118.864","0.003","412.21","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H4 N8 O4 -","- C3 H4 N8 O4 -","- C6 H8 N16 O8 -","2","1","","Tang, Yongxing; Huang, Wei; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Planar FOX-7-like Molecules: A Strategy for Thermally Stable and Insensitive π-Conjugated Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01640","","","1.54178","CuKα","","0.0457","0.0394","","","0.1099","0.1137","","","","","","1.087","","","","has coordinates","250408","2020-10-21","18:00:00",""
"4134618","4.9771","0.0004","13.1099","0.0009","16.9277","0.0011","101.61","0.004","91.179","0.005","90.05","0.005","1081.68","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H6.33 N7 O2.67 -","- C3 H5 N7 O2 -","- C18 H30 N42 O12 -","6","3","","Tang, Yongxing; Huang, Wei; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Planar FOX-7-like Molecules: A Strategy for Thermally Stable and Insensitive π-Conjugated Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01640","","","1.54178","CuKα","","0.0922","0.0651","","","0.1872","0.2085","","","","","","1.091","","","","has coordinates","250409","2020-10-21","18:00:00",""
"4134619","11.3834","0.0003","7.3039","0.0002","15.8799","0.0004","90","","90","","90","","1320.31","0.06","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H6 N6 O2 -","- C4 H6 N6 O2 -","- C32 H48 N48 O16 -","8","1","","Tang, Yongxing; Huang, Wei; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Planar FOX-7-like Molecules: A Strategy for Thermally Stable and Insensitive π-Conjugated Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01640","","","1.54178","CuKα","","0.0458","0.044","","","0.1157","0.1175","","","","","","1.093","","","","has coordinates","250410","2020-10-21","18:00:00",""
"4134620","4.9044","0.0019","26.767","0.01","7.71","0.003","90","","96.835","0.012","90","","1004.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N8 O5 -","- C4 H8 N8 O5 -","- C16 H32 N32 O20 -","4","1","","Tang, Yongxing; Huang, Wei; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Planar FOX-7-like Molecules: A Strategy for Thermally Stable and Insensitive π-Conjugated Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01640","","","0.71073","MoKα","","0.1947","0.1169","","","0.2437","0.2689","","","","","","1.105","","","","has coordinates","250411","2020-10-21","18:00:00",""
"4134621","8.0844","0.0009","9.054","0.0011","10.5384","0.0012","90","","96.114","0.003","90","","766.98","0.15","296","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C5 H7 N7 O2 -","- C5 H7 N7 O2 -","- C20 H28 N28 O8 -","4","1","","Tang, Yongxing; Huang, Wei; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Planar FOX-7-like Molecules: A Strategy for Thermally Stable and Insensitive π-Conjugated Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01640","","","0.71073","MoKα","","0.1335","0.0554","","","0.114","0.1382","","","","","","1.015","","","","has coordinates","250412","2020-10-21","18:00:00",""
"4134622","8.4672","0.0004","11.1265","0.0006","7.9409","0.0004","90","","90","","90","","748.11","0.07","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C3 H8 N8 O2 -","- C3 H8 N8 O2 -","- C12 H32 N32 O8 -","4","1","","Tang, Yongxing; Huang, Wei; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Planar FOX-7-like Molecules: A Strategy for Thermally Stable and Insensitive π-Conjugated Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01640","","","0.71073","MoKα","","0.0402","0.0333","","","0.0831","0.087","","","","","","1.062","","","","has coordinates","250413","2020-10-21","18:00:00",""
"4134623","8.058","0.0004","8.2082","0.0004","19.263","0.001","81.733","0.0011","89.6948","0.001","80.2803","0.001","1242.51","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","TJS-A-01","","","- C28 H28 N2 O5 S -","- C28 H28 N2 O5 S -","- C56 H56 N4 O10 S2 -","2","1","","Steiman, Talia J.; Liu, Junyi; Mengiste, Amanuella; Doyle, Abigail G.","Synthesis of β-Phenethylamines via Ni/Photoredox Cross-Electrophile Coupling of Aliphatic Aziridines and Aryl Iodides.","Journal of the American Chemical Society","2020","142","16","7598","7605","10.1021/jacs.0c01724","","","0.71073","MoKα","","0.0561","0.0448","","","0.1176","0.1246","","","","","","1.06","","","","has coordinates,has disorder","251460","2020-10-21","18:00:00",""
"4134624","5.1739","0.0002","5.1739","0.0002","13.9856","0.0001","90","","90","","120","","324.226","0.018","298","","298","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Fe Nb O6 Zn2 -","- Fe0.5 Nb0.5 O3 Zn -","- Fe3 Nb3 O18 Zn6 -","6","0.333333","","Han, Yifeng; Zeng, Yijie; Hendrickx, Mylène; Hadermann, Joke; Stephens, Peter W.; Zhu, Chuanhui; Grams, Christoph Paul; Hemberger, Joachim; Frank, Corey E.; Li, Shufang; Wu, MeiXia; Retuerto, Maria; Croft, Mark; Walker, David; Yao, Dao-Xin; Greenblatt, Martha; Li, Man-Rong","Universal A-cation splitting in LiNbO3-type structure driven by intrapositional multivalent coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01814","","","0.70018","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","294983","2024-10-02","07:31:41",""
"4134625","5.17022","0.00001","5.17022","0.00001","13.93338","0.00006","90","","90","","120","","322.556","0.0016","298","","298","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Fe O6 Ta Zn2 -","- Fe0.5 O3 Ta0.5 Zn -","- Fe3 O18 Ta3 Zn6 -","6","0.333333","","Han, Yifeng; Zeng, Yijie; Hendrickx, Mylène; Hadermann, Joke; Stephens, Peter W.; Zhu, Chuanhui; Grams, Christoph Paul; Hemberger, Joachim; Frank, Corey E.; Li, Shufang; Wu, MeiXia; Retuerto, Maria; Croft, Mark; Walker, David; Yao, Dao-Xin; Greenblatt, Martha; Li, Man-Rong","Universal A-cation splitting in LiNbO3-type structure driven by intrapositional multivalent coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01814","","","0.70018","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","294983","2024-10-02","07:31:42",""
"4134626","9.9559","0.0005","12.4988","0.0006","17.2264","0.0008","90","","104.392","0.001","90","","2076.33","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 B10 O2 -","- C17 H26 B10 O2 -","- C68 H104 B40 O8 -","4","1","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02490","","","0.71073","MoKα","","0.0569","0.0481","","","0.1295","0.1378","","","","","","1.031","","","","has coordinates","250450","2020-10-21","18:00:00",""
"4134627","19.9522","0.001","13.7412","0.0006","18.6004","0.0008","90","","90","","90","","5099.6","0.4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H29 B10 N2 O2 -","- C22 H29 B10 N2 O2 -","- C176 H232 B80 N16 O16 -","8","1","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02490","","","0.71073","MoKα","","0.1233","0.0967","","","0.2609","0.2882","","","","","","1.071","","","","has coordinates,has disorder","250451","2020-10-21","18:00:00",""
"4134628","11.1222","0.0011","16.2539","0.0019","19.748","0.003","90","","96.326","0.004","90","","3548.3","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 B10 O -","- C12 H24 B10 O -","- C96 H192 B80 O8 -","8","2","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02490","","","0.71073","MoKα","","0.0703","0.0557","","","0.1518","0.1715","","","","","","1.048","","","","has coordinates","250452","2020-10-21","18:00:00",""
"4134629","8.91","0.003","13.323","0.004","16.77","0.006","70.5","0.014","74.6","0.01","86.737","0.01","1808.1","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H42 B10 N2 O8 -","- C31 H42 B10 N2 O8 -","- C62 H84 B20 N4 O16 -","2","1","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02490","","","0.71073","MoKα","","0.0924","0.0781","","","0.2265","0.2402","","","","","","1.106","","","","has coordinates","250453","2020-10-21","18:00:00",""
"4134630","8.7666","0.0013","11.1964","0.0018","17.168","0.003","100.936","0.005","99.267","0.005","94.811","0.005","1621.5","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H36 B10 N2 O3 S2 -","- C29 H36 B10 N2 O3 S2 -","- C58 H72 B20 N4 O6 S4 -","2","1","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02490","","","0.71073","MoKα","","0.0666","0.0571","","","0.1555","0.1657","","","","","","1.071","","","","has coordinates","250454","2020-10-21","18:00:00",""
"4134631","6.9003","0.0004","11.8511","0.0007","14.2073","0.0008","78.8301","0.0019","81.9861","0.0017","85.1877","0.0017","1126.74","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H28 B10 N2 O2 -","- C17 H28 B10 N2 O2 -","- C34 H56 B20 N4 O4 -","2","1","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02490","","","0.71073","MoKα","","0.1238","0.0952","","","0.1869","0.2004","","","","","","1.165","","","","has coordinates","250455","2020-10-21","18:00:00",""
"4134632","13.4462","0.0005","16.1808","0.0006","18.8504","0.0006","88.657","0.001","71.508","0.001","77.42","0.001","3791.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H48 B10 N2 O3 -","- C35 H48 B10 N2 O3 -","- C140 H192 B40 N8 O12 -","4","2","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02490","","","0.71073","MoKα","","0.1091","0.0824","","","0.2282","0.2543","","","","","","1.028","","","","has coordinates,has disorder","250456","2020-10-21","18:00:00",""
"4134633","9.8763","0.0004","15.3708","0.0007","18.6884","0.0008","90","","91.3929","0.0013","90","","2836.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 B10 N2 O3 -","- C20 H40 B10 N2 O3 -","- C80 H160 B40 N8 O12 -","4","1","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Copper-Catalyzed Electrochemical Selective B-H Oxygenation of <i>o</i>-Carboranes at Room Temperature.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02490","","","0.71073","MoKα","","0.0755","0.0561","","","0.1539","0.1747","","","","","","1.057","","","","has coordinates,has disorder","250457","2020-10-21","18:00:00",""
"4134634","17.8979","0.0006","14.7783","0.0005","16.9268","0.0005","90","","110.964","0.001","90","","4180.8","0.2","170","2","170","","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C78 H68 Cl2 F4 N8 O2 Pt2 S2 -","- C78 H68 Cl2 F4 N8 O2 Pt2 S2 -","- C156 H136 Cl4 F8 N16 O4 Pt4 S4 -","2","0.5","","Wu, Xiugang; Chen, Deng-Gao; Liu, Denghui; Liu, Shih-Hung; Shen, Shin-Wei; Wu, Chih-I; Xie, Guohua; Zhou, Jianwei; Huang, Zhi-Xuan; Huang, Chun-Ying; Su, Shi-Jian; Zhu, Weiguo; Chou, Pi-Tai","Highly Emissive Dinuclear Platinum(III) Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13956","","","1.34139","GaKα","","0.0427","0.0411","","","0.1073","0.1084","","","","","","1.107","","","","has coordinates","250458","2020-10-21","18:00:00",""
"4134635","13.3029","0.0003","14.1443","0.0003","15.9246","0.0004","112.076","0.002","111.146","0.002","92.244","0.002","2536.25","0.12","140","0.1","140","0.1","","","","","","","","6","P 1","P 1","1","","","","- C115 H97 Fe3 N17 Na6 O6 -","- C115 H97 Fe3 N17 Na6 O6 -","- C115 H97 Fe3 N17 Na6 O6 -","1","1","","Toniolo, Davide; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Assembly of High-Spin [Fe<sub>3</sub>] Clusters by Ligand-Based Multielectron Reduction.","Journal of the American Chemical Society","2020","142","16","7301","7305","10.1021/jacs.0c01664","","x-ray","0.71073","MoKα","","0.0894","0.0589","","","0.1098","0.1257","","","","","","1.028","","","","has coordinates,has disorder","251454","2020-10-21","18:00:00",""
"4134636","13.4845","0.0003","33.0195","0.0012","22.9829","0.0007","90","","105.404","0.003","90","","9865.6","0.5","140","0.1","140","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C176 H196 Fe6 N12 Na12 O26 -","- C176 H196 Fe6 N12 Na12 O26 -","- C352 H392 Fe12 N24 Na24 O52 -","2","0.5","","Toniolo, Davide; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Assembly of High-Spin [Fe<sub>3</sub>] Clusters by Ligand-Based Multielectron Reduction.","Journal of the American Chemical Society","2020","142","16","7301","7305","10.1021/jacs.0c01664","","x-ray","1.54184","CuKα","","0.1049","0.0958","","","0.257","0.264","","","","","","1.073","","","","has coordinates,has disorder","251454","2020-10-21","18:00:00",""
"4134637","38.585","0.01","38.585","0.01","38.585","0.01","90","","90","","90","","57445","3","100","2","100","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","PCN-224","Hf-TBB","","- C72.29 H39.16 Hf6.02 N6.02 O32.13 -","- C72 H45 Hf6 N6 O32 -","- C576 H360 Hf48 N48 O256 -","8","0.0833333","","Luo, Taokun; Ni, Kaiyuan; Culbert, August; Lan, Guangxu; Li, Zhe; Jiang, Xiaomin; Kaufmann, Michael; Lin, Wenbin","Nanoscale Metal-Organic Frameworks Stabilize Bacteriochlorins for Type I and Type II Photodynamic Therapy.","Journal of the American Chemical Society","2020","142","16","7334","7339","10.1021/jacs.0c02129","","x-ray","0.41328","synchrotron","","0.1085","0.1041","","","0.2388","0.2417","","","","","","1.003","","","","has coordinates","251463","2020-10-21","18:00:00",""
"4134638","13.491","0.005","13.711","0.005","14.567","0.005","75.315","0.005","84.23","0.005","67.787","0.005","2413","1.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H130 N10 Ni2 O56 -","- C70 H50 N10 Ni2 O28 -","- C70 H50 N10 Ni2 O28 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71069","MoKα","","0.2131","0.14","","","0.3023","0.3356","","","","","","1.003","","","","has coordinates","250546","2020-10-21","18:00:00",""
"4134639","10.617","0.002","12.641","0.003","13.803","0.003","106.8","0.03","104.68","0.03","93.65","0.03","1696.7","0.8","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H76 Co N12 O22 -","- C68 H60 Co N12 O22 -","- C68 H60 Co N12 O22 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.1162","0.0758","","","0.1691","0.2264","","","","","","1.024","","","","has coordinates","250547","2020-10-21","18:00:00",""
"4134640","8.767","0.0018","17.488","0.003","20.607","0.004","97.49","0.03","96.84","0.03","93.45","0.03","3100.9","1.1","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H55 Cl8 N11 O16 -","- C57 H55 Cl8 N11 O16 -","- C114 H110 Cl16 N22 O32 -","2","1","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.1233","0.0991","","","0.1996","0.2145","","","","","","1.004","","","","has coordinates","250548","2020-10-21","18:00:00",""
"4134641","11.0295","0.0003","17.5019","0.0007","15.1089","0.0004","90","","92.126","0.002","90","","2914.57","0.16","100","0.11","100","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 Cl2 N5 O10 -","- C27 H29 Cl2 N5 O10 -","- C108 H116 Cl8 N20 O40 -","4","1","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.0873","0.071","","","0.1667","0.1794","","","","","","1.027","","","","has coordinates","250549","2020-10-21","18:00:00",""
"4134642","13.8006","0.0002","16.4423","0.0003","12.8876","0.0002","90","","93.84","0.002","90","","2917.81","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H70 N10 O26 -","- C54 H70 N10 O26 -","- C108 H140 N20 O52 -","2","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.0625","0.0589","","","0.1415","0.144","","","","","","1.009","","","","has coordinates","250550","2020-10-21","18:00:00",""
"4134643","14.0185","0.0005","7.0639","0.0002","28.6965","0.0008","90","","95.382","0.003","90","","2829.15","0.15","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H66 N10 O24 -","- C54 H66 N10 O24 -","- C108 H132 N20 O48 -","2","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.1317","0.1287","","","0.2596","0.2612","","","","","","1.011","","","","has coordinates","250551","2020-10-21","18:00:00",""
"4134644","13.493","0.003","13.659","0.003","13.762","0.003","81.1","0.03","77.9","0.03","89.71","0.03","2449.2","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene)_ 5 2,5-dihydroxyterephthalate dianion_ 2 samarium(III)_4 DMF_10 H2O","","- C90 H102 N14 O44 Sm2 -","- C90 H82 N14 O44 Sm2 -","- C90 H82 N14 O44 Sm2 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.1121","0.082","","","0.165","0.1871","","","","","","1.008","","","","has coordinates","250552","2020-10-21","18:00:00",""
"4134645","11.434","0.005","13.195","0.005","14.751","0.005","97.223","0.005","111.87","0.005","109.823","0.005","1860.2","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H82 N12 Ni O31 -","- C62 H46 N10 Ni O28 -","- C62 H46 N10 Ni O28 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71069","MoKα","","0.1682","0.1116","","","0.2205","0.2574","","","","","","1.008","","","","has coordinates","250553","2020-10-21","18:00:00",""
"4134646","13.288","0.003","13.453","0.003","14.007","0.003","81.17","0.03","79.33","0.03","88.99","0.03","2431.3","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H96 Gd2 N14 O41 -","- C90 H82 Gd2 N14 O41 -","- C90 H82 Gd2 N14 O41 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.1807","0.1025","","","0.183","0.2401","","","","","","1.011","","","","has coordinates","250554","2020-10-21","18:00:00",""
"4134647","10.5126","0.0008","11.5747","0.0007","13.0705","0.0008","77.021","0.005","77.706","0.006","66.522","0.006","1407.86","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H58 Br4 N10 O18 -","- C54 H58 Br4 N10 O18 -","- C54 H58 Br4 N10 O18 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0443","0.0317","","","0.0589","0.0632","","","","","","1.013","","","","has coordinates","250555","2020-10-21","18:00:00",""
"4134648","10.641","0.002","11.699","0.002","15.585","0.003","99.44","0.03","99.77","0.03","105.65","0.03","1795.6","0.7","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C73 H45 Cd2 F16 N11 O19 -","- C73 H34 Cd2 F16 N11 O19 -","- C73 H34 Cd2 F16 N11 O19 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0627","0.0575","","","0.1233","0.1272","","","","","","1.018","","","","has coordinates","250556","2020-10-21","18:00:00",""
"4134649","13.41","0.003","13.637","0.003","13.674","0.003","81.29","0.03","89.58","0.03","77.57","0.03","2413","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H102 N14 O44 Tb2 -","- C90 H82 N14 O44 Tb2 -","- C90 H82 N14 O44 Tb2 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0816","0.0663","","","0.1415","0.1508","","","","","","1.013","","","","has coordinates","250557","2020-10-21","18:00:00",""
"4134650","11.383","0.002","13.133","0.003","14.705","0.003","97.38","0.03","111.98","0.03","109.81","0.03","1833.9","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H90 Co N10 O40 -","- C62 H46 Co N10 O22 -","- C62 H46 Co N10 O22 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.1495","0.1137","","","0.2451","0.2722","","","","","","1.018","","","","has coordinates","250558","2020-10-21","18:00:00",""
"4134651","14.1263","0.0004","14.7486","0.0004","17.1292","0.0004","84.581","0.002","67.137","0.002","85.187","0.002","3269.34","0.16","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C111 H87 Cl16 Eu4 N13 O43 -","- C111 H71 Cl16 Eu4 N13 O43 -","- C111 H71 Cl16 Eu4 N13 O43 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0513","0.0442","","","0.1167","0.123","","","","","","0.985","","","","has coordinates","250559","2020-10-21","18:00:00",""
"4134652","8.6588","0.0017","12.578","0.003","14.189","0.003","90.8","0.03","98.72","0.03","107.1","0.03","1457.1","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H68 N12 O20 -","- C54 H42 N10 O18 -","- C54 H42 N10 O18 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.1626","0.1006","","","0.1821","0.211","","","","","","1.017","","","","has coordinates","250560","2020-10-21","18:00:00",""
"4134653","9.222","0.0005","13.1187","0.0007","13.2147","0.0006","66.628","0.005","72.463","0.004","80.647","0.004","1397.65","0.14","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C58 H64 N10 O19 -","- C58 H48 N10 O19 -","- C58 H48 N10 O19 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.0752","0.0628","","","0.1609","0.1712","","","","","","1.009","","","","has coordinates,has disorder","250561","2020-10-21","18:00:00",""
"4134654","28.526","0.006","24.457","0.005","30.314","0.006","90","","90","","90","","21149","7","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C148 H307 N20 O138.5 Zn6 -","- C148 H104 N20 O48 Zn6 -","- C592 H416 N80 O192 Zn24 -","4","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0874","0.0614","","","0.1414","0.1616","","","","","","1.013","","","","has coordinates","250562","2020-10-21","18:00:00",""
"4134655","13.505","0.003","13.637","0.003","13.752","0.003","98.74","0.03","101.75","0.03","90.05","0.03","2449.5","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H102 N14 Nd2 O44 -","- C90 H82 N14 Nd2 O44 -","- C90 H82 N14 Nd2 O44 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.1575","0.0952","","","0.1765","0.2227","","","","","","1.025","","","","has coordinates","250563","2020-10-21","18:00:00",""
"4134656","14.0288","0.0008","14.7086","0.0008","17.4117","0.0008","84.418","0.004","67.062","0.005","84.129","0.004","3284.9","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C102 H99 Br16 Eu4 N10 O56.5 -","- C102 H50 Br16 Eu4 N10 O44 -","- C102 H50 Br16 Eu4 N10 O44 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0959","0.0648","","","0.1657","0.186","","","","","","1.031","","","","has coordinates,has disorder","250564","2020-10-21","18:00:00",""
"4134657","13.527","0.003","13.726","0.003","13.879","0.003","80.92","0.03","77.64","0.03","89.22","0.03","2485.1","1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene)_ 5 2,5-dihydroxyterephthalate dianion_ 2 europium(III)_4 DMF_10 H2O","","- C90 H102 Eu2 N14 O44 -","- C90 H82 Eu2 N14 O44 -","- C90 H82 Eu2 N14 O44 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0813","0.056","","","0.1039","0.1216","","","","","","1.002","","","","has coordinates","250565","2020-10-21","18:00:00",""
"4134658","11.4584","0.0009","13.1978","0.0014","14.2186","0.0017","94.837","0.009","112.155","0.009","112.422","0.009","1774.3","0.4","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C62 H80 N10 O35 Zn -","- C62 H57 N10 O35 Zn -","- C62 H57 N10 O35 Zn -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.0853","0.0798","","","0.2117","0.2162","","","","","","1.014","","","","has coordinates,has disorder","250566","2020-10-21","18:00:00",""
"4134659","10.1496","0.0003","12.415","0.0005","13.5453","0.0004","93.516","0.003","104.544","0.003","112.869","0.004","1497.89","0.11","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C54 H78 N14 O24 -","- C54 H46 N14 O24 -","- C54 H46 N14 O24 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.0538","0.0506","","","0.1435","0.1469","","","","","","1.008","","","","has coordinates","250567","2020-10-21","18:00:00",""
"4134660","8.155","0.003","13.187","0.003","17.132","0.003","96.26","0.018","90.4","0.02","107.24","0.03","1747.6","0.9","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C78 H68 N10 O29 -","- C78 H61 N10 O29 -","- C78 H61 N10 O29 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.1273","0.0784","","","0.1781","0.2175","","","","","","1.008","","","","has coordinates,has disorder","250568","2020-10-21","18:00:00",""
"4134661","7.2423","0.0014","9.97","0.002","19.83","0.004","90","","90","","90","","1431.8","0.5","173.15","","173.15","","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C8 H18 Cd O11 -","- C8 H12 Cd O11 -","- C32 H48 Cd4 O44 -","4","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0324","0.0322","","","0.0845","0.0848","","","","","","1.001","","","","has coordinates","250569","2020-10-21","18:00:00",""
"4134662","11.5353","0.0007","12.0569","0.0007","13.2156","0.0008","83.027","0.005","68.372","0.005","65.893","0.005","1558.68","0.18","99.98","0.1","99.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C58 H78 N10 O22 -","- C58 H74 N10 O22 -","- C58 H74 N10 O22 -","1","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.0639","0.0548","","","0.1294","0.1372","","","","","","1.009","","","","has coordinates,has disorder","250570","2020-10-21","18:00:00",""
"4134663","8.4685","0.0004","15.1856","0.0004","25.6622","0.0007","74.699","0.002","89.369","0.003","78.998","0.003","3121.95","0.19","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H61 I4 N11 O18 -","- C56 H41 I4 N11 O18 -","- C112 H82 I8 N22 O36 -","2","1","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","1.54184","CuKα","","0.0942","0.0643","","","0.1567","0.1721","","","","","","1.004","","","","has coordinates","250571","2020-10-21","18:00:00",""
"4134664","12.88","0.003","20.339","0.004","15.174","0.003","90","","114.07","0.03","90","","3629.4","1.6","173.15","","173.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C65 H81 Cd N11 O33 -","- C65 H53 Cd N11 O33 -","- C130 H106 Cd2 N22 O66 -","2","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0647","0.0637","","","0.1754","0.1764","","","","","","1.009","","","","has coordinates","250572","2020-10-21","18:00:00",""
"4134665","9.1462","0.0002","7.02845","0.00014","16.4441","0.0004","90","","90.62","0.002","90","","1057.02","0.04","174.99","0.1","174.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","C30H12F4N2","","- C30 H12 F4 N2 -","- C30 H12 F4 N2 -","- C60 H24 F8 N4 -","2","1","","Sun, Yanqiu; Lei, Yilong; Hu, Wenping; Wong, Wai-Yeung","Epitaxial Growth of Nanorod Meshes from Luminescent Organic Cocrystals via Crystal Transformation.","Journal of the American Chemical Society","2020","142","16","7265","7269","10.1021/jacs.0c00135","","x-ray","1.54184","CuKα","","0.0346","0.0323","","","0.1002","0.1021","","","","","","1.1","","","","has coordinates","251446","2020-10-21","18:00:00",""
"4134666","7.023","0.0014","33.943","0.007","17.584","0.004","90","","90.07","0.03","90","","4191.7","1.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12 F4 N2 -","- C30 H12 F4 N2 -","- C240 H96 F32 N16 -","8","2","","Sun, Yanqiu; Lei, Yilong; Hu, Wenping; Wong, Wai-Yeung","Epitaxial Growth of Nanorod Meshes from Luminescent Organic Cocrystals via Crystal Transformation.","Journal of the American Chemical Society","2020","142","16","7265","7269","10.1021/jacs.0c00135","","","0.71073","MoKα","","0.0731","0.0601","","","0.1644","0.2065","","","","","","1.051","","","","has coordinates","251446","2020-10-21","18:00:00",""
"4134667","23.2214","0.0003","20.51134","0.00017","17.808","0.0002","90","","109.079","0.0014","90","","8016.05","0.17","225","2","225","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H52 Cu2 F6 N4 O6 S2 -","- C32 H52 Cu2 F6 N4 O6 S2 -","- C256 H416 Cu16 F48 N32 O48 S16 -","8","1","","Sharninghausen, Liam S.; Brooks, Allen F.; Winton, Wade P.; Makaravage, Katarina J.; Scott, Peter J. H.; Sanford, Melanie S.","NHC-Copper Mediated Ligand-Directed Radiofluorination of Aryl Halides.","Journal of the American Chemical Society","2020","142","16","7362","7367","10.1021/jacs.0c02637","","","1.54184","CuKα","","0.0415","0.0407","","","0.107","0.1078","","","","","","1.056","","","","has coordinates,has disorder","251449","2020-10-21","18:00:00",""
"4134668","8.4835","0.0006","11.9653","0.0008","12.0408","0.0007","87.075","0.005","80.401","0.005","71.73","0.006","1144.37","0.14","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H34 Cl2 Cu F N2 -","- C24 H34 Cl2 Cu F N2 -","- C48 H68 Cl4 Cu2 F2 N4 -","2","1","","Sharninghausen, Liam S.; Brooks, Allen F.; Winton, Wade P.; Makaravage, Katarina J.; Scott, Peter J. H.; Sanford, Melanie S.","NHC-Copper Mediated Ligand-Directed Radiofluorination of Aryl Halides.","Journal of the American Chemical Society","2020","142","16","7362","7367","10.1021/jacs.0c02637","","x-ray","1.54184","CuKα","","0.0421","0.0396","","","0.1011","0.1057","","","","","","1.054","","","","has coordinates","251449","2020-10-21","18:00:00",""
"4134669","8.9286","0.0002","16.9996","0.0004","22.4884","0.0005","90","","90","","90","","3413.35","0.13","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 Br Fe N5 O -","- C36 H46 Br Fe N5 O -","- C144 H184 Br4 Fe4 N20 O4 -","4","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0241","0.0218","","","0.0488","0.0498","","","","","","1.072","","","","has coordinates","251450","2020-10-21","18:00:00",""
"4134670","8.77732","0.00019","17.1427","0.0003","22.6633","0.0005","90","","90","","90","","3410.08","0.12","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 Cl Fe N5 O -","- C36 H46 Cl Fe N5 O -","- C144 H184 Cl4 Fe4 N20 O4 -","4","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0257","0.0238","","","0.0541","0.055","","","","","","1.055","","","","has coordinates","251450","2020-10-21","18:00:00",""
"4134671","12.6479","0.0004","13.0462","0.0004","21.3658","0.0007","90","","101.978","0.003","90","","3448.75","0.19","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H46.99 Br1.01 Fe N5 O1.99 -","- C36 H46.9886 Br1.0114 Fe N5 O1.9886 -","- C144 H187.954 Br4.0456 Fe4 N20 O7.9544 -","4","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0566","0.0388","","","0.0816","0.0889","","","","","","1.033","","","","has coordinates,has disorder","251450","2020-10-21","18:00:00",""
"4134672","32.8869","0.0009","11.113","0.0003","23.5812","0.0005","90","","90.019","0.002","90","","8618.3","0.4","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H62 Cl2 Fe N5 O3 -","- C44 H62 Cl2 Fe N5 O3 -","- C352 H496 Cl16 Fe8 N40 O24 -","8","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0371","0.0322","","","0.0764","0.079","","","","","","1.045","","","","has coordinates,has disorder","251450","2020-10-21","18:00:00",""
"4134673","12.6925","0.0003","13.0034","0.0003","21.3161","0.0005","90","","102.247","0.002","90","","3438.06","0.14","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H47 Cl1.06 Fe N5 O1.94 -","- C36 H47 Cl1.058 Fe N5 O1.942 -","- C144 H188 Cl4.232 Fe4 N20 O7.768 -","4","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0527","0.0422","","","0.1036","0.1101","","","","","","1.051","","","","has coordinates,has disorder","251450","2020-10-21","18:00:00",""
"4134674","14.4887","0.0002","22.9828","0.0002","21.1268","0.0002","90","","103.175","0.001","90","","6849.86","0.13","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C103 H207 Mo10 N4 Nb2 O42 P -","- C103 H207 Mo10 N4 Nb2 O42 P -","- C206 H414 Mo20 N8 Nb4 O84 P2 -","2","1","","Zhang, Guanyun; Gadot, Eyal; Gan-Or, Gal; Baranov, Mark; Tubul, Tal; Neyman, Alevtina; Li, Mu; Clotet, Anna; Poblet, Josep M.; Yin, Panchao; Weinstock, Ira A.","Self-Assembly and Ionic-Lattice-like Secondary Structure of a Flexible Linear Polymer of Highly Charged Inorganic Building Blocks.","Journal of the American Chemical Society","2020","142","16","7295","7300","10.1021/jacs.0c01486","","","0.71073","MoKα","","0.0666","0.0621","","","0.1503","0.1541","","","","","","1.02","","","","has coordinates,has disorder","251451","2020-10-21","18:00:00",""
"4134675","18.6068","0.0014","7.2917","0.0006","20.2774","0.0015","90","","110.916","0.002","90","","2569.9","0.3","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C28 H26 I2 N O2 P -","- C28 H26 I2 N O2 P -","- C112 H104 I8 N4 O8 P4 -","4","1","","Yan, Shengyi; Xia, Wang; Li, Shaoyu; Song, Qiuling; Xiang, Shao-Hua; Tan, Bin","Michael Reaction Inspired Atroposelective Construction of Axially Chiral Biaryls.","Journal of the American Chemical Society","2020","142","16","7322","7327","10.1021/jacs.0c01963","","x-ray","0.71073","MoKα","","0.0557","0.0501","","","0.1168","0.1197","","","","","","1.025","","","","has coordinates","251453","2020-10-21","18:00:00",""
"4134676","20.539","0.0019","14.8908","0.0014","15.0531","0.0015","90","","90","","90","","4603.9","0.8","100","2","99.93","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H18 Cu F6 N4 O2.5 Zr -","- C20 H18 Cu F6 N4 O2.5 Zr -","- C160 H144 Cu8 F48 N32 O20 Zr8 -","8","2","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0341","0.0317","","","0.0785","0.08","","","","","","1.044","","","","has coordinates,has disorder","251456","2020-10-21","18:00:00",""
"4134677","20.555","0.0007","14.8898","0.0005","15.0487","0.0005","90","","90","","90","","4605.8","0.3","100","2","100.04","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H18 Cu F6 Hf N4 O2.5 -","- C20 H18 Cu F6 Hf N4 O2.5 -","- C160 H144 Cu8 F48 Hf8 N32 O20 -","8","2","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0304","0.0248","","","0.0503","0.052","","","","","","1.042","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134678","7.1475","0.0003","9.9867","0.0004","10.8497","0.0004","91.854","0.002","106.408","0.002","104.499","0.002","714.81","0.05","100","2","99.98","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H24 Cu2 F12 N4 O4 Zr2 -","- C20 H24 Cu2 F12 N4 O4 Zr2 -","- C20 H24 Cu2 F12 N4 O4 Zr2 -","1","0.5","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0259","0.0217","","","0.0514","0.0531","","","","","","1.041","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134679","6.259","0.0003","9.2167","0.0005","12.2518","0.0007","90","","90.846","0.002","90","","706.7","0.07","100","","100.11","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C10 H12 Cu F6 Hf N2 O2 -","- C10 H12 Cu F6 Hf N2 O2 -","- C20 H24 Cu2 F12 Hf2 N4 O4 -","2","0.5","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0166","0.0162","","","0.0425","0.0428","","","","","","1.12","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134680","20.3754","0.0006","14.6737","0.0005","14.8668","0.0005","90","","90","","90","","4444.9","0.2","100","","100.07","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H18 Cu F6 N4 O2.5 Ti -","- C20 H18 Cu F6 N4 O2.5 Ti -","- C160 H144 Cu8 F48 N32 O20 Ti8 -","8","2","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0688","0.0424","","","0.0902","0.1021","","","","","","1.028","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134681","7.727","0.0001","14.3219","0.0003","12.3521","0.0003","90","","90","","90","","1366.95","0.05","100","2","99.97","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 Cu F6 N2 O2 Ti -","- C10 H12 Cu F6 N2 O2 Ti -","- C40 H48 Cu4 F24 N8 O8 Ti4 -","4","0.5","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0254","0.0225","","","0.0607","0.0622","","","","","","1.052","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134682","9.718","0.0019","10.43","0.002","10.479","0.002","109.11","0.03","102.3","0.03","96.78","0.03","960.1","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 F4 O -","- C25 H18 F4 O -","- C50 H36 F8 O2 -","2","1","","Xie, Weilong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","Copper-Catalyzed Direct C-H Alkylation of Polyfluoroarenes by Using Hydrocarbons as an Alkylating Source.","Journal of the American Chemical Society","2020","142","16","7487","7496","10.1021/jacs.0c00169","","","0.7","synchrotron","","0.0716","0.0568","","","0.1666","0.178","","","","","","1.109","","","","has coordinates,has disorder","251457","2020-10-21","18:00:00",""
"4134683","9.609","0.004","15.344","0.006","21.494","0.009","90","","90","","90","","3169","2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H38 F4 O5 -","- C36 H38 F4 O5 -","- C144 H152 F16 O20 -","4","1","","Xie, Weilong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","Copper-Catalyzed Direct C-H Alkylation of Polyfluoroarenes by Using Hydrocarbons as an Alkylating Source.","Journal of the American Chemical Society","2020","142","16","7487","7496","10.1021/jacs.0c00169","","","0.71073","MoKα","","0.1517","0.1053","","","0.1829","0.2036","","","","","","1.192","","","","has coordinates,has disorder","251457","2020-10-21","18:00:00",""
"4134684","11.057","0.002","15.078","0.003","22.516","0.005","90","","92.95","0.03","90","","3748.8","1.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 F4 O -","- C23 H20 F4 O -","- C184 H160 F32 O8 -","8","2","","Xie, Weilong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","Copper-Catalyzed Direct C-H Alkylation of Polyfluoroarenes by Using Hydrocarbons as an Alkylating Source.","Journal of the American Chemical Society","2020","142","16","7487","7496","10.1021/jacs.0c00169","","","0.75","synchrotron","","0.2105","0.1425","","","0.326","0.3523","","","","","","1.714","","","","has coordinates,has disorder","251457","2020-10-21","18:00:00",""
"4134685","13.666","0.003","8.146","0.0016","16.531","0.003","90","","98.73","0.03","90","","1819","0.6","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 F4 O -","- C23 H18 F4 O -","- C92 H72 F16 O4 -","4","1","","Xie, Weilong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","Copper-Catalyzed Direct C-H Alkylation of Polyfluoroarenes by Using Hydrocarbons as an Alkylating Source.","Journal of the American Chemical Society","2020","142","16","7487","7496","10.1021/jacs.0c00169","","","0.73","synchrotron","","0.0989","0.0521","","","0.1656","0.1883","","","","","","1","","","","has coordinates,has disorder","251457","2020-10-21","18:00:00",""
"4134686","34.417","0.003","34.417","0.003","26.544","0.002","90","","90","","120","","27230","4","100","","100","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C300 H420 Mg24 O138 -","- C300 H330 Mg24 O138 -","- C900 H990 Mg72 O414 -","3","0.166667","","Shao, Li; Hua, Bin; Hu, Xiangquan; Stalla, David; Kelley, Steven P.; Atwood, Jerry L.","Construction of Polymeric Metal-Organic Nanocapsule Networks via Supramolecular Coordination-Driven Self-Assembly.","Journal of the American Chemical Society","2020","142","16","7270","7275","10.1021/jacs.0c00640","","","0.71073","MoKα","","0.1325","0.081","","","0.2118","0.2488","","","","","","1.023","","","","has coordinates,has disorder","251458","2020-10-21","18:00:00",""
"4134687","37.025","0.005","36.916","0.005","26.53","0.004","90","","94.801","0.004","90","","36134","9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C265 H296 Mg24 N2 O129 -","- C265 H261 Mg24 N2 O129 -","- C1060 H1044 Mg96 N8 O516 -","4","1","","Shao, Li; Hua, Bin; Hu, Xiangquan; Stalla, David; Kelley, Steven P.; Atwood, Jerry L.","Construction of Polymeric Metal-Organic Nanocapsule Networks via Supramolecular Coordination-Driven Self-Assembly.","Journal of the American Chemical Society","2020","142","16","7270","7275","10.1021/jacs.0c00640","","","0.71073","MoKα","","0.1382","0.089","","","0.2539","0.2987","","","","","","1.027","","","","has coordinates","251458","2020-10-21","18:00:00",""
"4134688","9.4673","0.0008","11.3216","0.0009","32.085","0.003","90","","97.472","0.003","90","","3409.8","0.5","100.04","","100.04","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N2 Ni O -","- C24 H16 N2 Ni O -","- C192 H128 N16 Ni8 O8 -","8","2","","Wong, Yip-Sang; Tang, Man-Chung; Ng, Maggie; Yam, Vivian Wing-Wah","Toward the Design of Phosphorescent Emitters of Cyclometalated Earth-Abundant Nickel(II) and Their Supramolecular Study.","Journal of the American Chemical Society","2020","142","16","7638","7646","10.1021/jacs.0c02172","","x-ray","0.71073","MoKα","","0.057","0.0481","","","0.1165","0.1204","","","","","","1.167","","","","has coordinates","251459","2020-10-21","18:00:00",""
"4134689","9.772","0.003","14.573","0.004","9.077","0.004","90","","95.29","0.03","90","","1287.1","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 Cl N2 Ni -","- C16 H11 Cl N2 Ni -","- C64 H44 Cl4 N8 Ni4 -","4","0.5","","Wong, Yip-Sang; Tang, Man-Chung; Ng, Maggie; Yam, Vivian Wing-Wah","Toward the Design of Phosphorescent Emitters of Cyclometalated Earth-Abundant Nickel(II) and Their Supramolecular Study.","Journal of the American Chemical Society","2020","142","16","7638","7646","10.1021/jacs.0c02172","","","0.65295","Synchrotron","","0.0474","0.044","","","0.1184","0.122","","","","","","1.066","","","","has coordinates","251459","2020-10-21","18:00:00",""
"4134690","7.66791","0.00014","35.5294","0.0006","18.9331","0.0003","90","","90.5243","0.0017","90","","5157.85","0.15","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H108 Mn4 N20 O22 -","- C82 H108 Mn4 N20 O22 -","- C164 H216 Mn8 N40 O44 -","2","0.5","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","1.54184","CuKα","","0.0573","0.0525","","","0.1446","0.1488","","","","","","1.048","","","","has coordinates","251461","2020-10-21","18:00:00",""
"4134691","14.5195","0.0007","47.357","0.002","14.8983","0.0007","90","","101.308","0.001","90","","10045.2","0.8","120","2","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C166 H174 Mn4 N38 O16 -","- C166 H174 Mn4 N38 O16 -","- C332 H348 Mn8 N76 O32 -","2","0.5","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","0.71073","MoKα","","0.1036","0.0793","","","0.2406","0.2541","","","","","","1.065","","","","has coordinates","251461","2020-10-21","18:00:00",""
"4134692","47.019","0.002","8.0598","0.0003","41.8518","0.0019","90","","123.828","0.004","90","","13175.4","1.1","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H84 Cl6 Co4 N24 O38 -","- C90 H92 Cl6 Co4 N24 O38 -","- C360 H368 Cl24 Co16 N96 O152 -","4","0.5","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","1.54178","CuKα","","0.174","0.1293","","","0.3523","0.3894","","","","","","1.228","","","","has coordinates","251461","2020-10-21","18:00:00",""
"4134693","14.8683","0.0017","35.964","0.004","15.7673","0.0018","90","","115.88","0.003","90","","7585.6","1.5","120","2","119.99","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C37 H34 F3 N10 O10 S Zn2 -","- C37 H34 F3 N10 O10 S Zn2 -","- C148 H136 F12 N40 O40 S4 Zn8 -","4","1","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","0.71073","MoKα","","0.2173","0.1471","","","0.423","0.4519","","","","","","1.329","","","","has coordinates","251461","2020-10-21","18:00:00",""
"4134694","10.8346","0.0004","16.7939","0.0006","19.7458","0.0007","107.577","0.002","92.476","0.002","97.574","0.002","3382.1","0.2","120","2","120.02","","","","","","","","","5","P -1","-P 1","2","","","","- C136 H94 Mn4 N32 O18 -","- C136 H94 Mn4 N32 O18 -","- C136 H94 Mn4 N32 O18 -","1","0.5","","Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng","Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.","Journal of the American Chemical Society","2020","142","16","7283","7288","10.1021/jacs.0c01035","","","0.71073","MoKα","","0.126","0.0817","","","0.2608","0.2928","","","","","","1.094","","","","has coordinates","251461","2020-10-21","18:00:00",""
"4134695","20.6977","0.0009","20.6977","0.0009","14.1093","0.0007","90","","90","","120","","5234.6","0.4","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C60 H120 N16 P4 U -","- C60 H120 N16 P4 U -","- C180 H360 N48 P12 U3 -","3","0.333333","","Rice, Natalie T.; McCabe, Karl; Bacsa, John; Maron, Laurent; La Pierre, Henry S.","Two-Electron Oxidative Atom Transfer at a Homoleptic, Tetravalent Uranium Complex.","Journal of the American Chemical Society","2020","142","16","7368","7373","10.1021/jacs.0c02693","","","0.71073","MoKα","","0.0579","0.057","","","0.1453","0.1469","","","","","","1.059","","","","has coordinates","251462","2020-10-21","18:00:00",""
"4134696","20.77","0.003","20.77","0.003","13.975","0.002","90","","90","","120","","5221","1.3","103.58","","103.58","","","","","","","","","6","R 3 :H","R 3","146","","","","- C60 H120 N16 O P4 U -","- C60 H120 N16 O P4 U -","- C180 H360 N48 O3 P12 U3 -","3","0.333333","","Rice, Natalie T.; McCabe, Karl; Bacsa, John; Maron, Laurent; La Pierre, Henry S.","Two-Electron Oxidative Atom Transfer at a Homoleptic, Tetravalent Uranium Complex.","Journal of the American Chemical Society","2020","142","16","7368","7373","10.1021/jacs.0c02693","","","0.71073","MoKα","","0.0651","0.0605","","","0.1498","0.1561","","","","","","1.101","","","","has coordinates","251462","2020-10-21","18:00:00",""
"4134697","14.9753","0.0017","22.266","0.003","47.714","0.006","90","","97.018","0.005","90","","15791","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H131 N17 P4 U -","- C69 H131 N17 P4 U -","- C552 H1048 N136 P32 U8 -","8","2","","Rice, Natalie T.; McCabe, Karl; Bacsa, John; Maron, Laurent; La Pierre, Henry S.","Two-Electron Oxidative Atom Transfer at a Homoleptic, Tetravalent Uranium Complex.","Journal of the American Chemical Society","2020","142","16","7368","7373","10.1021/jacs.0c02693","","","0.71073","MoKα","","0.0693","0.0534","","","0.122","0.1312","","","","","","1.035","","","","has coordinates,has disorder","251462","2020-10-21","18:00:00",""
"4134698","6.43","0.0001","12.1818","0.0001","25.8958","0.0002","90","","96.497","0.001","90","","2015.36","0.04","200","0.1","200","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N O -","- C26 H23 N O -","- C104 H92 N4 O4 -","4","1","","Lu, Zhiwu; Hu, Xu-Dong; Zhang, Hui; Zhang, Xiao-Wen; Cai, Jinhui; Usman, Muhammad; Cong, Hengjiang; Liu, Wen-Bo","Enantioselective Assembly of Cycloenones with a Nitrile-Containing All-Carbon Quaternary Center from Malononitriles Enabled by Ni Catalysis.","Journal of the American Chemical Society","2020","142","16","7328","7333","10.1021/jacs.0c02075","","x-ray","1.54184","CuKα","","0.0409","0.0394","","","0.1009","0.102","","","","","","1.026","","","","has coordinates","251447","2020-10-21","18:00:00",""
"4134699","23.866","0.002","6.6629","0.0006","13.5743","0.0011","90","","94.136","0.003","90","","2152.9","0.3","296","2","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H20 Br N O -","- C26 H20 Br N O -","- C104 H80 Br4 N4 O4 -","4","1","","Lu, Zhiwu; Hu, Xu-Dong; Zhang, Hui; Zhang, Xiao-Wen; Cai, Jinhui; Usman, Muhammad; Cong, Hengjiang; Liu, Wen-Bo","Enantioselective Assembly of Cycloenones with a Nitrile-Containing All-Carbon Quaternary Center from Malononitriles Enabled by Ni Catalysis.","Journal of the American Chemical Society","2020","142","16","7328","7333","10.1021/jacs.0c02075","","","1.54178","CuKα","","0.0331","0.0324","","","0.0863","0.0874","","","","","","1.045","","","","has coordinates","251447","2020-10-21","18:00:00",""
"4134700","12.657","0.004","12.75","0.004","13.869","0.005","108.039","0.001","115.597","0.008","93.053","0.003","1873","1.1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H31 B Cl2 N8 O -","- C45 H31 B Cl2 N8 O -","- C90 H62 B2 Cl4 N16 O2 -","2","1","","Winterfeld, Kim A.; Lavarda, Giulia; Yoshida, Kota; Bayerlein, Maximilian J.; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro; Guldi, Dirk M.; Torres, Tomás; Bottari, Giovanni","Synthesis and Optical Features of Axially and Peripherally Substituted Subporphyrins. A Paradigmatic Example of Charge Transfer versus Exciplex States.","Journal of the American Chemical Society","2020","142","17","7920","7929","10.1021/jacs.0c01646","","","1.54187","CuKα","","0.0909","0.0597","","","0.1714","0.1878","","","","","","1.064","","","","has coordinates,has disorder","251437","2020-10-21","18:00:00",""
"4134701","11.0129","0.0014","13.4588","0.0016","15.067","0.002","108.158","0.006","90.077","0.007","94.144","0.006","2115.8","0.5","270","2","270","2","","","","","","","","5","P -1","-P 1","2","SubPTCBDaniline_axial_E2","","","- C49.5 H32 B Cl N8 -","- C49.5 H32 B Cl N8 -","- C99 H64 B2 Cl2 N16 -","2","1","","Winterfeld, Kim A.; Lavarda, Giulia; Yoshida, Kota; Bayerlein, Maximilian J.; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro; Guldi, Dirk M.; Torres, Tomás; Bottari, Giovanni","Synthesis and Optical Features of Axially and Peripherally Substituted Subporphyrins. A Paradigmatic Example of Charge Transfer versus Exciplex States.","Journal of the American Chemical Society","2020","142","17","7920","7929","10.1021/jacs.0c01646","","","0.71073","MoKα","","0.2096","0.0977","","","0.2772","0.3459","","","","","","1.024","","","","has coordinates","251437","2020-10-21","18:00:00",""
"4134702","10.6906","0.0002","12.2749","0.0002","28.911","0.0006","90","","92.992","0.002","90","","3788.7","0.12","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H31 B N8 -","- C49 H31 B N8 -","- C196 H124 B4 N32 -","4","1","","Winterfeld, Kim A.; Lavarda, Giulia; Yoshida, Kota; Bayerlein, Maximilian J.; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro; Guldi, Dirk M.; Torres, Tomás; Bottari, Giovanni","Synthesis and Optical Features of Axially and Peripherally Substituted Subporphyrins. A Paradigmatic Example of Charge Transfer versus Exciplex States.","Journal of the American Chemical Society","2020","142","17","7920","7929","10.1021/jacs.0c01646","","","1.54184","CuKα","","0.0685","0.0509","","","0.1416","0.1533","","","","","","1.046","","","","has coordinates","251437","2020-10-21","18:00:00",""
"4134703","4.4481","0.0002","14.2679","0.0006","20.974","0.0012","90","","92.061","0.002","90","","1330.25","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Cl2 N O -","- C15 H11 Cl2 N O -","- C60 H44 Cl8 N4 O4 -","4","1","","Cui, Wen-Jun; Wu, Zhi-Jie; Gu, Qing; You, Shu-Li","Divergent Synthesis of Tunable Cyclopentadienyl Ligands and Their Application in Rh-Catalyzed Enantioselective Synthesis of Isoindolinone.","Journal of the American Chemical Society","2020","142","16","7379","7385","10.1021/jacs.0c02813","","","0.71073","MoKα","","0.0466","0.0375","","","0.0901","0.0976","","","","","","1.019","","","","has coordinates","251448","2020-10-21","18:00:00",""
"4134704","13.4491","0.0011","16.3991","0.0014","20.2594","0.0015","90","","90","","90","","4468.3","0.6","125","2","125","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Cp2TitBuNCHNtBuOTf","","","- C20 H29 F3 N2 O3 S Ti -","- C20 H29 F3 N2 O3 S Ti -","- C160 H232 F24 N16 O24 S8 Ti8 -","8","1","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0684","0.0499","","","0.0984","0.1054","","","","","","1.073","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134705","15.4192","0.0007","8.5253","0.0004","14.8104","0.0007","90","","112.358","0.002","90","","1800.52","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cp2TitBuNCNtBu","","","- C19 H28 N2 Ti -","- C19 H28 N2 Ti -","- C76 H112 N8 Ti4 -","4","1","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0349","0.0287","","","0.0771","0.0803","","","","","","1.042","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134706","10.6267","0.0005","13.3909","0.0006","23.1232","0.0011","90","","101.037","0.002","90","","3229.6","0.3","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cp2TiCyNCNCyTiCp2","","","- C39 H48 N2 O0 Ti2 -","- C39 H48 N2 Ti2 -","- C156 H192 N8 Ti8 -","4","1","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0763","0.0621","","","0.1507","0.1598","","","","","","1.082","","","","has coordinates,has disorder","251439","2020-10-21","18:00:00",""
"4134707","10.4518","0.0016","19.916","0.003","21.075","0.003","99.063","0.006","104.113","0.007","90.366","0.005","4196.8","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Cp4Ti2CyNCNCy","","","- C33 H42 N2 Ti2 -","- C33 H42 N2 Ti2 -","- C198 H252 N12 Ti12 -","6","3","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0872","0.0731","","","0.1747","0.1806","","","","","","1.186","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134708","11.7346","0.0007","30.286","0.002","15.7125","0.0011","90","","107.969","0.003","90","","5311.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cp2TiTEMPO2","","","- C28 H46 N2 O2 Ti -","- C28 H46 N2 O2 Ti -","- C224 H368 N16 O16 Ti8 -","8","2","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.114","0.0573","","","0.1239","0.1461","","","","","","1.018","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134709","14.933","0.006","8.546","0.003","15.746","0.005","90","","114.223","0.013","90","","1832.5","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cp2TitBuNCHNtBu","","","- C19 H29 N2 Ti -","- C19 H29 N2 Ti -","- C76 H116 N8 Ti4 -","4","1","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0877","0.0508","","","0.1016","0.1155","","","","","","1.034","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134710","15.4482","0.0005","11.305","0.0004","10.4848","0.0004","90","","90","","90","","1831.09","0.11","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cp2TitBuNCSNtBu","","","- C19 H28 N2 S Ti -","- C19 H28 N2 S Ti -","- C76 H112 N8 S4 Ti4 -","4","0.5","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0357","0.0283","","","0.0696","0.0755","","","","","","1.084","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134711","12.38233","0.00011","12.66874","0.00012","7.66215","0.00006","90","","90","","90","","1201.95","0.018","300","","300","","","","","","","","","4","P n 21 m","P -2 -2bc","31","","","","- Li0.687 Nb5 O15 Pb2.157 -","- Li0.685 Nb5 O15 Pb2.1565 -","- Li2.74 Nb20 O60 Pb8.626 -","4","1","","Lin, Kun; Gong, Pifu; Chu, Shihang; Li, Qiang; Lin, Zheshuai; Wu, Hui; Wang, Qingxiao; Wang, Jinguo; Kim, Moon J.; Kato, Kenichi; Wang, Chin-Wei; Liu, Xinzhi; Huang, Qingzhen; Chen, Jun; Zhu, He; Deng, Jinxia; Xing, Xianran","Strong Second Harmonic Generation in a Tungsten Bronze Oxide by Enhancing Local Structural Distortion.","Journal of the American Chemical Society","2020","142","16","7480","7486","10.1021/jacs.0c00133","powder diffraction","neutron","2.0775","neutron","","0.088","0.0787","","0.0653","0.0629","","","","2.13","","","","","","","has coordinates","251452","2020-10-21","18:00:00",""
"4134712","8.9632","0.0019","8.3819","0.0019","12.045","0.004","90","","107.15","0.03","90","","864.7","0.4","299","2","299","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 F O4 -","- C20 H17 F O4 -","- C40 H34 F2 O8 -","2","1","","Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun","Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.","Journal of the American Chemical Society","2020","142","17","8036","8043","10.1021/jacs.0c02686","","","1.54178","CuKα","","0.0526","0.0473","","","0.1274","0.1334","","","","","","1.061","","","","has coordinates","251442","2020-10-21","18:00:00",""
"4134713","29.794","0.002","19.1363","0.0013","16.7518","0.0011","90","","113.055","0.002","90","","8788.1","1","288","2","288","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C82 H106 Cl O14 P2 Pd2 -","- C82 H106 Cl O14 P2 Pd2 -","- C328 H424 Cl4 O56 P8 Pd8 -","4","1","","Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun","Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.","Journal of the American Chemical Society","2020","142","17","8036","8043","10.1021/jacs.0c02686","","","1.54178","CuKα","","0.0722","0.0535","","","0.138","0.1619","","","","","","1.089","","","","has coordinates","251442","2020-10-21","18:00:00",""
"4134714","11.6485","0.0003","7.7932","0.0002","11.8264","0.0003","90","","115.44","0.001","90","","969.49","0.04","301","2","301","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C48 H44 O8 -","2","1","","Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun","Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.","Journal of the American Chemical Society","2020","142","17","8036","8043","10.1021/jacs.0c02686","","","1.54178","CuKα","","0.038","0.0339","","","0.0917","0.0961","","","","","","1.041","","","","has coordinates","251442","2020-10-21","18:00:00",""
"4134715","8.4534","0.0002","8.7745","0.0002","26.1457","0.0006","90","","90","","90","","1939.34","0.08","302","2","301.97","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 O5 -","- C23 H20 O5 -","- C92 H80 O20 -","4","1","","Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun","Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.","Journal of the American Chemical Society","2020","142","17","8036","8043","10.1021/jacs.0c02686","","","1.34139","GaKα","","0.0472","0.0417","","","0.0959","0.0999","","","","","","1.052","","","","has coordinates","251442","2020-10-21","18:00:00",""
"4134716","9.9875","0.0001","11.3241","0.0001","46.9874","0.0003","90","","90","","90","","5314.25","0.08","100","0.3","100","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H31 N O3 S -","- C32 H31 N O3 S -","- C256 H248 N8 O24 S8 -","8","2","","Hong, Feng-Lin; Chen, Yang-Bo; Ye, Si-Han; Zhu, Guang-Yu; Zhu, Xin-Qi; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Copper-Catalyzed Asymmetric Reaction of Alkenyl Diynes with Styrenes by Formal [3 + 2] Cycloaddition via Cu-Containing All-Carbon 1,3-Dipoles: Access to Chiral Pyrrole-Fused Bridged [2.2.1] Skeletons.","Journal of the American Chemical Society","2020","142","16","7618","7626","10.1021/jacs.0c01918","","x-ray","1.54184","CuKα","","0.0356","0.0348","","","0.0871","0.0876","","","","","","1.049","","","","has coordinates","251455","2020-10-21","18:00:00",""
"4134717","9.7618","0.0001","10.0699","0.0001","12.2302","0.0001","90","","101.541","0.001","90","","1177.93","0.02","99.8","0.9","99.8","0.9","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H27 N O3 S -","- C29 H27 N O3 S -","- C58 H54 N2 O6 S2 -","2","1","","Hong, Feng-Lin; Chen, Yang-Bo; Ye, Si-Han; Zhu, Guang-Yu; Zhu, Xin-Qi; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Copper-Catalyzed Asymmetric Reaction of Alkenyl Diynes with Styrenes by Formal [3 + 2] Cycloaddition via Cu-Containing All-Carbon 1,3-Dipoles: Access to Chiral Pyrrole-Fused Bridged [2.2.1] Skeletons.","Journal of the American Chemical Society","2020","142","16","7618","7626","10.1021/jacs.0c01918","","x-ray","1.54184","CuKα","","0.0272","0.0265","","","0.0671","0.0675","","","","","","1.031","","","","has coordinates","251455","2020-10-21","18:00:00",""
"4134718","8.5056","0.0001","13.3487","0.0003","25.1954","0.0005","90","","90","","90","","2860.65","0.09","99.9","0.9","99.9","0.9","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 N O3 S -","- C35 H33 N O3 S -","- C140 H132 N4 O12 S4 -","4","1","","Hong, Feng-Lin; Chen, Yang-Bo; Ye, Si-Han; Zhu, Guang-Yu; Zhu, Xin-Qi; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Copper-Catalyzed Asymmetric Reaction of Alkenyl Diynes with Styrenes by Formal [3 + 2] Cycloaddition via Cu-Containing All-Carbon 1,3-Dipoles: Access to Chiral Pyrrole-Fused Bridged [2.2.1] Skeletons.","Journal of the American Chemical Society","2020","142","16","7618","7626","10.1021/jacs.0c01918","","x-ray","1.54184","CuKα","","0.0665","0.0619","","","0.1546","0.1688","","","","","","1.136","","","","has coordinates","251455","2020-10-21","18:00:00",""
"4134719","17.4434","0.0012","5.892","0.0003","14.9985","0.001","90","","97.462","0.003","90","","1528.44","0.17","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 O3 P -","- C18 H15 O3 P -","- C72 H60 O12 P4 -","4","1","","Walton, Finlay; Bolling, John; Farrell, Andrew; MacEwen, Jamie; Syme, Christopher D.; Jiménez, Mario González; Senn, Hans M.; Wilson, Claire; Cinque, Gianfelice; Wynne, Klaas","Polyamorphism Mirrors Polymorphism in the Liquid-Liquid Transition of a Molecular Liquid.","Journal of the American Chemical Society","2020","142","16","7591","7597","10.1021/jacs.0c01712","","","0.71073","MoKα","","0.0509","0.0438","","","0.1036","0.1069","","","","","","1.07","","","","has coordinates","251464","2020-10-21","18:00:00",""
"4134720","9.9613","0.0003","12.3262","0.0004","15.8096","0.0005","89.843","0.003","88.801","0.002","82.682","0.002","1924.95","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H28 F18 N O2 P Pd -","- C37 H28 F18 N O2 P Pd -","- C74 H56 F36 N2 O4 P2 Pd2 -","2","1","","Su, Bo; Bunescu, Ala; Qiu, Yehao; Zuend, Stephan J.; Ernst, Martin; Hartwig, John F.","Palladium-catalyzed oxidation of β-C(sp3)-H bond of primary alkylamines through a rare four-membered palladacycle intermediate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01629","","","0.71073","MoKα","","0.0418","0.0366","","","0.0967","0.0998","","","","","","1.058","","","","has coordinates,has disorder","250794","2020-10-21","18:00:00",""
"4134721","19.1646","0.0004","7.6938","0.0001","14.4178","0.0003","90","","108.664","0.002","90","","2014.09","0.07","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 N2 O2 Pd -","- C22 H28 N2 O2 Pd -","- C88 H112 N8 O8 Pd4 -","4","0.5","","Su, Bo; Bunescu, Ala; Qiu, Yehao; Zuend, Stephan J.; Ernst, Martin; Hartwig, John F.","Palladium-catalyzed oxidation of β-C(sp3)-H bond of primary alkylamines through a rare four-membered palladacycle intermediate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01629","","","0.71073","MoKα","","0.0181","0.017","","","0.0436","0.0442","","","","","","1.067","","","","has coordinates","250795","2020-10-21","18:00:00",""
"4134722","8.9433","0.0003","34.4853","0.0009","9.5969","0.0003","90","","113.354","0.004","90","","2717.32","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 N2 O6 Pd2 -","- C26 H34 N2 O6 Pd2 -","- C104 H136 N8 O24 Pd8 -","4","1","","Su, Bo; Bunescu, Ala; Qiu, Yehao; Zuend, Stephan J.; Ernst, Martin; Hartwig, John F.","Palladium-catalyzed oxidation of β-C(sp3)-H bond of primary alkylamines through a rare four-membered palladacycle intermediate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01629","","","0.71073","MoKα","","0.0291","0.0237","","","0.0505","0.052","","","","","","1.039","","","","has coordinates","250796","2020-10-21","18:00:00",""
"4134723","9.3693","0.0002","9.1331","0.0002","12.3504","0.0002","90","","107.386","0.002","90","","1008.55","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 Cl2 N O7 -","- C17 H27 Cl2 N O7 -","- C34 H54 Cl4 N2 O14 -","2","1","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0278","0.0274","","","0.0743","0.0745","","","","","","1.05","","","","has coordinates","251465","2020-10-21","18:00:00",""
"4134724","31.4309","0.0009","12.0536","0.0003","25.2006","0.0008","90","","118.833","0.004","90","","8363.8","0.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H26 Cl2 N O7.5 -","- C17 H26 Cl2 N O7.5 -","- C272 H416 Cl32 N16 O120 -","16","2","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0724","0.0652","","","0.1761","0.1817","","","","","","1.058","","","","has coordinates,has disorder","251465","2020-10-21","18:00:00",""
"4134725","10.4482","0.0004","10.733","0.0004","10.9047","0.0004","91.558","0.002","113.438","0.002","118.425","0.002","950.51","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H25 Cl2 N O7 -","- C17 H25 Cl2 N O7 -","- C34 H50 Cl4 N2 O14 -","2","1","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0505","0.0358","","","0.0773","0.0834","","","","","","1.061","","","","has coordinates","251465","2020-10-21","18:00:00",""
"4134726","24.6919","0.0015","7.6839","0.0004","9.7357","0.0006","90","","91.381","0.006","90","","1846.62","0.19","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H25 N O8 -","- C17 H25 N O8 -","- C68 H100 N4 O32 -","4","1","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0352","0.0338","","","0.0855","0.0864","","","","","","1.063","","","","has coordinates","251465","2020-10-21","18:00:00",""
"4134727","9.6479","0.0001","19.6056","0.0003","37.8797","0.0005","90","","90","","90","","7165.05","0.16","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H22 Cl2 N O5 -","- C16 H22 Cl2 N O5 -","- C256 H352 Cl32 N16 O80 -","16","2","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0359","0.032","","","0.0868","0.0895","","","","","","1.043","","","","has coordinates","251465","2020-10-21","18:00:00",""
"4134728","10.975","0.002","11.916","0.002","17.67","0.003","92.41","0.004","98.443","0.004","103.385","0.004","2216.8","0.7","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H15 Al F36 O4 S2 -","- C34 H15 Al F36 O4 S2 -","- C68 H30 Al2 F72 O8 S4 -","2","1","","Tang, Shuxuan; Zhang, Li; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","A Magnetically Robust Triplet Ground State Sulfur-Hydrocarbon Diradical Dication.","Journal of the American Chemical Society","2020","142","16","7340","7344","10.1021/jacs.0c02141","","","0.71073","MoKα","","0.0802","0.053","","","0.1258","0.1416","","","","","","1.046","","","","has coordinates","251466","2020-10-21","18:00:00",""
"4134729","11.8539","0.0004","11.8577","0.0004","11.8905","0.0004","67.399","0.001","74.886","0.001","81.448","0.001","1487.4","0.09","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H30 S4 -","- C36 H30 S4 -","- C72 H60 S8 -","2","1","","Tang, Shuxuan; Zhang, Li; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","A Magnetically Robust Triplet Ground State Sulfur-Hydrocarbon Diradical Dication.","Journal of the American Chemical Society","2020","142","16","7340","7344","10.1021/jacs.0c02141","","","1.34139","GaKα","","0.0354","0.0306","","","0.0806","0.084","","","","","","1.026","","","","has coordinates,has disorder","251466","2020-10-21","18:00:00",""
"4134730","21.5825","0.0009","10.977","0.0006","30.8704","0.0013","90","","98.337","0.002","90","","7236.3","0.6","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H46 Al F36 O4 S4 -","- C66 H46 Al F36.0005 O4 S4 -","- C264 H184 Al4 F144.002 O16 S16 -","4","1","","Tang, Shuxuan; Zhang, Li; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","A Magnetically Robust Triplet Ground State Sulfur-Hydrocarbon Diradical Dication.","Journal of the American Chemical Society","2020","142","16","7340","7344","10.1021/jacs.0c02141","","","0.71073","MoKα","","0.1341","0.0841","","","0.2027","0.2323","","","","","","1.039","","","","has coordinates,has disorder","251466","2020-10-21","18:00:00",""
"4134731","10.3835","0.0007","11.9083","0.0008","13.5373","0.001","80.634","0.004","88.346","0.004","76.95","0.004","1608.9","0.2","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H54 F24 N6 P4 -","- C68 H54 F24 N6 P4 -","- C68 H54 F24 N6 P4 -","1","0.5","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","0.71073","MoKα","","0.0589","0.0435","","","0.1069","0.1165","","","","","","1.024","","","","has coordinates,has disorder","251441","2020-10-21","18:00:00",""
"4134732","7.2668","0.0016","12.68","0.003","20.209","0.007","80.52","0.03","84.99","0.02","87.23","0.02","1828.6","0.9","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H64 F24 N6 P4 -","- C82 H64 F24 N6 P4 -","- C82 H64 F24 N6 P4 -","1","0.5","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","1.54178","CuKα","","0.2287","0.1461","","","0.3218","0.3735","","","","","","1.096","","","","has coordinates","251441","2020-10-21","18:00:00",""
"4134733","41.838","0.006","12.659","0.0019","29.003","0.004","90","","94.518","0.003","90","","15313","4","100","2","100.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H54 F24 N6 P4 -","- C68 H54 F24 N6 P4 -","- C544 H432 F192 N48 P32 -","8","1","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","0.71073","MoKα","","0.1516","0.1223","","","0.3618","0.3937","","","","","","1.573","","","","has coordinates","251441","2020-10-21","18:00:00",""
"4134734","12.0098","0.0009","34.634","0.003","39.679","0.003","90","","90","","90","","16504","2","100","2","100","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C68 H54 F24 N6 P4 -","- C68 H54 F24 N6 P4 -","- C544 H432 F192 N48 P32 -","8","0.5","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","1.54178","CuKα","","0.0903","0.0752","","","0.204","0.2162","","","","","","1.044","","","","has coordinates,has disorder","251441","2020-10-21","18:00:00",""
"4134735","11.9331","0.0007","14.1803","0.0009","42.533","0.002","90","","90","","90","","7197.2","0.7","100","2","99.98","","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C65 H49.5 F24 N4.5 P4 -","- C65 H49.5 F24 N4.5 P4 -","- C260 H198 F96 N18 P16 -","4","1","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","1.54178","CuKα","","0.2299","0.1971","","","0.4554","0.4836","","","","","","1.717","","","","has coordinates,has disorder","251441","2020-10-21","18:00:00",""
"4134736","10.0922","0.0006","11.2174","0.0006","12.9069","0.0007","90.7726","0.0014","102.013","0.0014","114.075","0.0013","1296.91","0.13","298","2","298.01","","","","","","","","","3","P -1","-P 1","2","","","","- C56 H68 Sn2 -","- C56 H68 Sn2 -","- C56 H68 Sn2 -","1","0.5","","Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V.","Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01856","","","0.71073","MoKα","","0.1558","0.0646","","","0.1485","0.1881","","","","","","0.973","","","","has coordinates","250858","2020-10-21","18:00:00",""
"4134737","9.2973","0.001","10.4393","0.0011","15.0098","0.0015","102.391","0.003","99.151","0.003","115.642","0.002","1229.1","0.2","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C64 H36 I4 -","- C64 H36 I4 -","- C64 H36 I4 -","1","1","","Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V.","Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01856","","","0.71073","MoKα","","0.1308","0.0654","","","0.0912","0.1056","","","","","","1.06","","","","has coordinates","250859","2020-10-21","18:00:00",""
"4134738","8.8782","0.0004","23.1887","0.0011","22.1751","0.0011","90","","98.8238","0.001","90","","4511.2","0.4","127","2","127.43","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C2.6 H1.49 I0.19 -","- C2.60465 H1.48837 I0.186047 -","- C224 H128 I16 -","86","21.5","","Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V.","Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01856","","","0.71073","MoKα","","0.0558","0.0337","","","0.0664","0.0744","","","","","","1.061","","","","has coordinates","250860","2020-10-21","18:00:00",""
"4134739","12.8601","0.0013","20.375","0.002","11.4044","0.0012","90","","108.467","0.002","90","","2834.4","0.5","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H15 Cl3 I2 N2 -","- C31 H15 Cl3 I2 N2 -","- C124 H60 Cl12 I8 N8 -","4","1","","Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V.","Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01856","","","0.71073","MoKα","","0.0934","0.0523","","","0.109","0.1305","","","","","","1.104","","","","has coordinates","250861","2020-10-21","18:00:00",""
"4134740","28.313","0.002","18.0423","0.0009","8.0929","0.0004","90","","90","","90","","4134.1","0.4","150","0.1","150","0.1","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C56 H54 -","- C56 H54 -","- C224 H216 -","4","1","","Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V.","Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01856","","x-ray","1.54184","CuKα","","0.153","0.1389","","","0.3553","0.3662","","","","","","1.465","","","","has coordinates","250862","2020-10-21","18:00:00",""
"4134741","9.1268","0.0007","18.1759","0.0013","18.251","0.0013","99.0899","0.0013","90.13","0.0014","90.1473","0.0013","2989.6","0.4","128","2","128.58","","","","","","","","","3","P -1","-P 1","2","","","","- C2.53 H1.4 I0.14 -","- C2.52632 H1.40351 I0.138614 -","- C144 H80 I7.901 -","57","28.5","","Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V.","Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01856","","","0.71073","MoKα","","0.1148","0.0709","","","0.1449","0.1603","","","","","","1.066","","","","has coordinates","250863","2020-10-21","18:00:00",""
"4134742","14.5262","0.0012","17.6511","0.0016","18.136","0.0016","64.033","0.003","69.797","0.002","67.014","0.002","3762.4","0.6","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C H I O -","- C3.23636 H1.96364 I0.218182 O0.218182 -","- C178 H108 I12 O12 -","55","27.5","","Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V.","Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01856","","","0.71073","MoKα","","0.1303","0.0681","","","0.115","0.1367","","","","","","1.093","","","","has coordinates","250864","2020-10-21","18:00:00",""
"4134743","11.483","0.002","11.901","0.002","18.093","0.004","90.88","0.03","96.38","0.03","91.6","0.03","2455.9","0.8","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H43 F18 N13 P3 V -","- C40 H43 F18 N13 P3 V -","- C80 H86 F36 N26 P6 V2 -","2","1","","Dorn, Matthias; Kalmbach, Jens; Boden, Pit; Päpcke, Ayla; Gómez, Sandra; Förster, Christoph; Kuczelinis, Felix; Carrella, Luca M.; Büldt, Laura A; Bings, Nicolas H.; Rentschler, Eva; Lochbrunner, Stefan; González, Leticia; Gerhards, Markus; Seitz, Michael; Heinze, Katja","A Vanadium(III) Complex with Blue and NIR-II Spin-Flip Luminescence in Solution.","Journal of the American Chemical Society","2020","142","17","7947","7955","10.1021/jacs.0c02122","","","0.71073","MoKα","","0.0548","0.0409","","","0.106","0.1126","","","","","","1.028","","","","has coordinates,has disorder","251438","2020-10-21","18:00:00",""
"4134744","19.6982","0.0013","18.6978","0.0013","20.3197","0.0014","90","","90","","90","","7484","0.9","100","2","100.03","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38.88 H51.66 Ni P2 S Si -","- C38.884 H51.652 Ni P2 S Si -","- C311.072 H413.216 Ni8 P16 S8 Si8 -","8","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","0.71073","MoKα","","0.0547","0.0355","","","0.0793","0.0866","","","","","","1.02","","","","has coordinates","251440","2020-10-21","18:00:00",""
"4134745","10.579","0.0004","26.7073","0.0009","13.485","0.0005","90","","96.329","0.001","90","","3786.8","0.2","100","2","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 K Ni P2 S Si -","- C36 H45 K Ni P2 S Si -","- C144 H180 K4 Ni4 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","0.71073","MoKα","","0.0429","0.0319","","","0.0739","0.0782","","","","","","1.023","","","","has coordinates,has disorder","251440","2020-10-21","18:00:00",""
"4134746","16.5609","0.0017","19.0517","0.001","24.6555","0.0018","90","","108.276","0.004","90","","7386.7","1","100","2","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H52 N Ni O P2 S Si -","- C40 H52 N Ni O P2 S Si -","- C320 H416 N8 Ni8 O8 P16 S8 Si8 -","8","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","0.71073","MoKα","","0.063","0.0441","","","0.0901","0.0972","","","","","","1.067","","","","has coordinates","251440","2020-10-21","18:00:00",""
"4134747","10.6333","0.0009","23.759","0.004","13.7441","0.0013","90","","107.008","0.006","90","","3320.4","0.7","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Ni P2 S Si -","- C36 H44 Ni P2 S Si -","- C144 H176 Ni4 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","1.54178","CuKα","","0.0597","0.0511","","","0.1213","0.1255","","","","","","1.153","","","","has coordinates","251440","2020-10-21","18:00:00",""
"4134748","11.6307","0.0006","24.5754","0.0012","17.3135","0.0007","90","","103.426","0.002","90","","4813.5","0.4","100","2","100.02","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H57 Li Ni O P2 S Si -","- C41 H57 Li Ni O P2 S Si -","- C164 H228 Li4 Ni4 O4 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","0.71073","MoKα","","0.0927","0.0665","","","0.1457","0.1564","","","","","","1.059","","","","has coordinates,has disorder","251440","2020-10-21","18:00:00",""
"4134749","12.5356","0.0008","17.6421","0.0011","15.1447","0.0016","90","","91.473","0.005","90","","3348.2","0.5","100","2","100.02","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36.87 H46.6 N0.26 Ni P2 S Si -","- C36.868 H46.604 N0.264 Ni P2 S Si -","- C147.472 H186.416 N1.056 Ni4 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","1.54178","CuKα","","0.0459","0.0352","","","0.0868","0.0924","","","","","","1.023","","","","has coordinates,has disorder","251440","2020-10-21","18:00:00",""
"4134750","26.428","0.005","34.545","0.007","48.902","0.01","79.82","0.03","85.36","0.03","78.09","0.03","42951","16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C312 H210 Co6 F72 N72 O48 S24 -","- C296 H210 Co6 F24 N64 O16 S8 -","- C1184 H840 Co24 F96 N256 O64 S32 -","4","2","","Rizzuto, Felix J.; Nitschke, Jonathan R.","Narcissistic, Integrative, and Kinetic Self-Sorting within a System of Coordination Cages.","Journal of the American Chemical Society","2020","142","17","7749","7753","10.1021/jacs.0c02444","","","0.6889","Synchrotron","","0.2107","0.1698","","","0.3991","0.4249","","","","","","1.089","","","","has coordinates,has disorder","251444","2020-10-21","18:00:00",""
"4134751","24.6743","0.0007","10.7666","0.0003","14.6325","0.0004","90","","100.481","0.003","90","","3822.39","0.19","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H66 O3 Si3 -","- C36 H66 O3 Si3 -","- C144 H264 O12 Si12 -","4","1","","Liang, Xin-Ting; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of (-)-Spirochensilide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02522","","x-ray","0.71073","MoKα","","0.0623","0.0443","","","0.1153","0.1251","","","","","","1.072","","","","has coordinates,has disorder","250936","2020-10-21","18:00:00",""
"4134752","10.9749","0.0003","24.6837","0.0008","13.5232","0.0004","90","","95.884","0.003","90","","3644.15","0.19","104.6","","104.6","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H59 Cl O3 Si2 -","- C33 H59 Cl O3 Si2 -","- C132 H236 Cl4 O12 Si8 -","4","1","","Liang, Xin-Ting; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of (-)-Spirochensilide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02522","","","0.71073","MoKα","","0.0782","0.0526","","","0.1033","0.1141","","","","","","1.034","","","","has coordinates","250937","2020-10-21","18:00:00",""
"4134753","7.3602","0.0005","17.1118","0.0011","26.8552","0.0016","93.828","0.005","96.178","0.005","92.265","0.005","3351.4","0.4","106.4","","106.4","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H58 O3 Si2 -","- C33 H58 O3 Si2 -","- C132 H232 O12 Si8 -","4","2","","Liang, Xin-Ting; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of (-)-Spirochensilide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02522","","","0.71073","MoKα","","0.1769","0.0824","","","0.114","0.147","","","","","","0.99","","","","has coordinates,has disorder","250938","2020-10-21","18:00:00",""
"4134754","14.4159","0.0007","12.894","0.0005","28.4623","0.0012","90","","90","","90","","5290.5","0.4","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H42 O5 -","- C30 H42 O5 -","- C240 H336 O40 -","8","1","","Liang, Xin-Ting; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of (-)-Spirochensilide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02522","","x-ray","0.71073","MoKα","","0.1225","0.0656","","","0.1282","0.148","","","","","","1.007","","","","has coordinates","250939","2020-10-21","18:00:00",""
"4134755","11.6286","0.0003","15.8231","0.0004","17.4203","0.0005","73.227","0.002","81.077","0.002","71.98","0.002","2910.8","0.14","180","0.1","180","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C53 H86 Br2 O6 Si3 -","- C53 H86 Br2 O6 Si3 -","- C106 H172 Br4 O12 Si6 -","2","1","","Liang, Xin-Ting; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of (-)-Spirochensilide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02522","","x-ray","0.71073","MoKα","","0.0872","0.05","","","0.1066","0.1187","","","","","","1.038","","","","has coordinates,has disorder","250940","2020-10-21","18:00:00",""
"4134756","19.3242","0.0013","20.652","0.0016","19.7232","0.0018","90","","97.318","0.008","90","","7807.1","1.1","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H66 O3 Si3 -","- C36 H66 O3 Si3 -","- C288 H528 O24 Si24 -","8","2","","Liang, Xin-Ting; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of (-)-Spirochensilide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02522","","x-ray","0.71073","MoKα","","0.1566","0.0897","","","0.1803","0.2124","","","","","","1.058","","","","has coordinates,has disorder","250941","2020-10-21","18:00:00",""
"4134757","15.6733","0.0003","23.5355","0.0004","26.0438","0.0004","90","","90","","90","","9607","0.3","100","0.1","100","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C94 H124 Al2 Cl4 Mn2 N4 O21 -","- C94 H124 Al2 Cl4 Mn2 N4 O21 -","- C376 H496 Al8 Cl16 Mn8 N16 O84 -","4","1","","Lamb, Jessica R.; Hubbell, Aran K.; MacMillan, Samantha N.; Coates, Geoffrey W.","Carbonylative, Catalytic Deoxygenation of 2,3-Disubstituted Epoxides with Inversion of Stereochemistry: An Alternative Alkene Isomerization Method.","Journal of the American Chemical Society","2020","142","17","8029","8035","10.1021/jacs.0c02653","","x-ray","0.71073","MoKα","","0.045","0.0404","","","0.1021","0.1044","","","","","","1.021","","","","has coordinates,has disorder","251443","2020-10-21","18:00:00",""
"4134758","7.0319","0.0004","8.2216","0.0003","22.6065","0.0012","100.434","0.004","91.333","0.005","93.497","0.004","1282.17","0.11","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 O2 Si -","- C20 H20 O2 Si -","- C40 H40 O4 Si2 -","2","1","","Tang, Jinghua; Liu, Liu Leo; Yang, Shangru; Cong, Xuefeng; Luo, Meiming; Zeng, Xiaoming","Chemoselective Cross-Coupling between Two Different and Unactivated C(aryl)-O Bonds Enabled by Chromium Catalysis.","Journal of the American Chemical Society","2020","142","17","7715","7720","10.1021/jacs.0c00283","","x-ray","0.71073","MoKα","","0.0911","0.0533","","","0.1321","0.1476","","","","","","0.978","","","","has coordinates,has disorder","251445","2020-10-21","18:00:00",""
"4134759","10.6831","0.0002","16.4143","0.0004","20.2856","0.0004","91.674","0.002","98.011","0.001","98.486","0.002","3479.41","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H96 Fe2 N8 O2 P2 -","- C76 H96 Fe2 N8 O2 P2 -","- C152 H192 Fe4 N16 O4 P4 -","2","1","","Liu, Tianchang; Gau, Michael R.; Tomson, Neil C.","Mimicking the Constrained Geometry of a Nitrogen-Fixation Intermediate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01861","","x-ray","0.71073","MoKα","","0.0672","0.0557","","","0.1431","0.1501","","","","","","1.029","","","","has coordinates","251027","2020-10-21","18:00:00",""
"4134760","9.8631","0.0006","13.0959","0.0008","20.1607","0.0012","91.874","0.002","92.34","0.002","106.816","0.002","2487.9","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H81 Fe2 N8 O P2 -","- C45 H81 Fe2 N8 O P2 -","- C90 H162 Fe4 N16 O2 P4 -","2","1","","Liu, Tianchang; Gau, Michael R.; Tomson, Neil C.","Mimicking the Constrained Geometry of a Nitrogen-Fixation Intermediate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01861","","","0.71073","MoKα","","0.0603","0.044","","","0.1","0.1063","","","","","","1.111","","","","has coordinates","251028","2020-10-21","18:00:00",""
"4134761","16.121","0.0012","20.2886","0.0017","19.1144","0.0015","90","","101.203","0.004","90","","6132.7","0.8","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C109 H152 B20 Cl2 Ir4 N8 O5 S4 -","- C100 H126 B20 Ir4 N8 O S4 -","- C200 H252 B40 Ir8 N16 O2 S8 -","2","0.5","","Cui, Peng-Fei; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Dihydrogen Bond Interaction Induced Separation of Hexane Isomers by Self-Assembled Carborane Metallacycles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03176","","","1.34138","GaKα","","0.1665","0.1127","","","0.2765","0.33","","","","","","1.025","","","","has coordinates,has disorder","251029","2020-10-21","18:00:00",""
"4134762","22.3072","0.0009","17.7179","0.0008","30.6044","0.0014","90","","90","","90","","12096","0.9","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C112 H152 B20 Ir4 N8 O8 S4 -","- C104 H120 B20 Ir4 N8 S4 -","- C416 H480 B80 Ir16 N32 S16 -","4","0.5","","Cui, Peng-Fei; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Dihydrogen Bond Interaction Induced Separation of Hexane Isomers by Self-Assembled Carborane Metallacycles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03176","","","1.34138","GaKα","","0.0926","0.073","","","0.1754","0.1859","","","","","","1.068","","","","has coordinates,has disorder","251030","2020-10-21","18:00:00",""
"4134763","12.2385","0.0019","7.2735","0.0011","12.385","0.0019","90","","106.522","0.002","90","","1057","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 B5 N S -","- C8 H11 B5 N S -","- C32 H44 B20 N4 S4 -","4","1","","Cui, Peng-Fei; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Dihydrogen Bond Interaction Induced Separation of Hexane Isomers by Self-Assembled Carborane Metallacycles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03176","","","0.71073","MoKα","","0.0528","0.0441","","","0.1173","0.1217","","","","","","1.144","","","","has coordinates","251031","2020-10-21","18:00:00",""
"4134764","30.973","0.002","36.178","0.0018","26.393","0.002","90","","118.943","0.005","90","","25881","3","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C101 H163 B20 F12 Ir4 N17 O19 S8 -","- C73 H108 B20 F3 Ir4 N8 O3 S5 -","- C584 H864 B160 F24 Ir32 N64 O24 S40 -","8","1","","Cui, Peng-Fei; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Dihydrogen Bond Interaction Induced Separation of Hexane Isomers by Self-Assembled Carborane Metallacycles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03176","","","1.34138","GaKα","","0.0828","0.0776","","","0.221","0.2266","","","","","","1.01","","","","has coordinates,has disorder","251032","2020-10-21","18:00:00",""
"4134765","21.999","0.004","18.835","0.004","27.602","0.006","90","","90","","90","","11437","4","143","2","143","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C106 H136 F12 Ir4 N4 O26 S4 -","- C96 H108 F12 Ir4 N4 O22 S4 -","- C384 H432 F48 Ir16 N16 O88 S16 -","4","0.5","","Cui, Peng-Fei; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Dihydrogen Bond Interaction Induced Separation of Hexane Isomers by Self-Assembled Carborane Metallacycles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03176","","","1.34138","GaKα","","0.0439","0.0422","","","0.1206","0.1226","","","","","","1.035","","","","has coordinates,has disorder","251033","2020-10-21","18:00:00",""
"4134766","9.1947","0.0004","12.5315","0.0005","12.6998","0.0005","68.868","0.001","72.203","0.001","72.296","0.001","1268.24","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Au N O0.5 P -","- C30 H29 Au N O0.5 P -","- C60 H58 Au2 N2 O P2 -","2","1","","Zeman, Charles J.; Shen, Yu-Hsuan; Heller, Jessica; Abboud, Khalil A.; Schanze, Kirk S.; Veige, Adam S.","Excited State Turn-On of Aurophilicity and Tunability of Relativistic Effects in a Series of Digold Triazolates Synthesized via iClick.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01624","","","0.71073","MoKα","","0.0153","0.0149","","","0.0343","0.0344","","","","","","1.132","","","","has coordinates,has disorder","251034","2020-10-21","18:00:00",""
"4134767","14.4013","0.0005","22.8626","0.0008","17.4326","0.0005","90","","111.053","0.0011","90","","5356.6","0.3","173","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25.5 H22 Au Cl3 N3 P S -","- C25.5 H22 Au Cl3 N3 P S -","- C204 H176 Au8 Cl24 N24 P8 S8 -","8","2","","Zeman, Charles J.; Shen, Yu-Hsuan; Heller, Jessica; Abboud, Khalil A.; Schanze, Kirk S.; Veige, Adam S.","Excited State Turn-On of Aurophilicity and Tunability of Relativistic Effects in a Series of Digold Triazolates Synthesized via iClick.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01624","","","0.71073","MoKα","","0.0507","0.0386","","","0.0878","0.0939","","","","","","1.044","","","","has coordinates,has disorder","251035","2020-10-21","18:00:00",""
"4134768","17.4021","0.0016","22.787","0.002","11.8185","0.001","90","","90","","90","","4686.5","0.7","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C43.5 H36 Au2 Cl3 N3 P2 S -","- C43.5 H36 Au2 Cl3 N3 P2 S -","- C174 H144 Au8 Cl12 N12 P8 S4 -","4","1","","Zeman, Charles J.; Shen, Yu-Hsuan; Heller, Jessica; Abboud, Khalil A.; Schanze, Kirk S.; Veige, Adam S.","Excited State Turn-On of Aurophilicity and Tunability of Relativistic Effects in a Series of Digold Triazolates Synthesized via iClick.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01624","","","0.71073","MoKα","","0.0488","0.0377","","","0.0933","0.0989","","","","","","1.067","","","","has coordinates,has disorder","251036","2020-10-21","18:00:00",""
"4134769","11.3232","0.0005","14.8436","0.0006","15.9362","0.0007","108.324","0.0013","110.093","0.0011","91.327","0.0013","2361.95","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H46 Au2 Cl6 N4 P2 -","- C46 H40 Au2 N4 P2 -","- C92 H80 Au4 N8 P4 -","2","1","","Zeman, Charles J.; Shen, Yu-Hsuan; Heller, Jessica; Abboud, Khalil A.; Schanze, Kirk S.; Veige, Adam S.","Excited State Turn-On of Aurophilicity and Tunability of Relativistic Effects in a Series of Digold Triazolates Synthesized via iClick.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01624","","","0.71073","MoKα","","0.029","0.0269","","","0.0651","0.0673","","","","","","1.08","","","","has coordinates","251037","2020-10-21","18:00:00",""
"4134770","11.4948","0.0004","12.7123","0.0005","13.9821","0.0006","96.619","0.001","93.383","0.001","92.209","0.001","2023.86","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 Au2 P2 S2 -","- C48 H36 Au2 P2 S2 -","- C96 H72 Au4 P4 S4 -","2","1","","Zeman, Charles J.; Shen, Yu-Hsuan; Heller, Jessica; Abboud, Khalil A.; Schanze, Kirk S.; Veige, Adam S.","Excited State Turn-On of Aurophilicity and Tunability of Relativistic Effects in a Series of Digold Triazolates Synthesized via iClick.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01624","","","0.71073","MoKα","","0.0198","0.0179","","","0.0418","0.0427","","","","","","1.049","","","","has coordinates,has disorder","251038","2020-10-21","18:00:00",""
"4134771","12.5803","0.0014","13.1347","0.0014","25.578","0.003","90","","100.26","0.002","90","","4158.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H35 Au2 N3 P2 S2 -","- C46 H35 Au2 N3 P2 S2 -","- C184 H140 Au8 N12 P8 S8 -","4","1","","Zeman, Charles J.; Shen, Yu-Hsuan; Heller, Jessica; Abboud, Khalil A.; Schanze, Kirk S.; Veige, Adam S.","Excited State Turn-On of Aurophilicity and Tunability of Relativistic Effects in a Series of Digold Triazolates Synthesized via iClick.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01624","","","0.71073","MoKα","","0.0668","0.0575","","","0.1381","0.1442","","","","","","1.07","","","","has coordinates,has disorder","251039","2020-10-21","18:00:00",""
"4134772","18.267","0.003","21.858","0.003","23.701","0.004","90","","106.167","0.007","90","","9089","2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H135 Fe2 K4 N8 O12.5 -","- C84 H135 Fe2 K4 N8 O12.5 -","- C336 H540 Fe8 K16 N32 O50 -","4","1","","Sorsche, Dieter; Miehlich, Matthias E.; Searles, Keith; Gouget, Guillaume; Zolnhofer, Eva M.; Fortier, Skye; Chen, Chun-Hsing; Gau, Michael; Carroll, Patrick J.; Murray, Christopher B.; Caulton, Kenneth G.; Khusniyarov, Marat M.; Meyer, Karsten; Mindiola, Daniel J.","Unusual Dinitrogen Binding and Electron Storage in Dinuclear Iron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01488","","","0.71073","MoKα","","0.0713","0.043","","","0.0929","0.1041","","","","","","1.025","","","","has coordinates,has disorder","251040","2020-10-21","18:00:00",""
"4134773","23.887","0.004","13.743","0.002","23.071","0.004","90","","99.689","0.006","90","","7466","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C79 H106 Fe2 K2 N8 -","- C79 H106 Fe2 K2 N8 -","- C316 H424 Fe8 K8 N32 -","4","0.5","","Sorsche, Dieter; Miehlich, Matthias E.; Searles, Keith; Gouget, Guillaume; Zolnhofer, Eva M.; Fortier, Skye; Chen, Chun-Hsing; Gau, Michael; Carroll, Patrick J.; Murray, Christopher B.; Caulton, Kenneth G.; Khusniyarov, Marat M.; Meyer, Karsten; Mindiola, Daniel J.","Unusual Dinitrogen Binding and Electron Storage in Dinuclear Iron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01488","","","0.71073","MoKα","","0.041","0.0299","","","0.0714","0.076","","","","","","1.034","","","","has coordinates,has disorder","251041","2020-10-21","18:00:00",""
"4134774","11.038","0.0006","14.8077","0.0008","19.1696","0.0011","103.576","0.004","103.321","0.004","93.031","0.004","2944.7","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C60.5 H88 Fe2 K2 N8 -","- C60.5 H88 Fe2 K2 N8 -","- C121 H176 Fe4 K4 N16 -","2","1","","Sorsche, Dieter; Miehlich, Matthias E.; Searles, Keith; Gouget, Guillaume; Zolnhofer, Eva M.; Fortier, Skye; Chen, Chun-Hsing; Gau, Michael; Carroll, Patrick J.; Murray, Christopher B.; Caulton, Kenneth G.; Khusniyarov, Marat M.; Meyer, Karsten; Mindiola, Daniel J.","Unusual Dinitrogen Binding and Electron Storage in Dinuclear Iron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01488","","","0.71073","MoKα","","0.1862","0.0937","","","0.2322","0.2901","","","","","","1.026","","","","has coordinates,has disorder","251042","2020-10-21","18:00:00",""
"4134775","15.2409","0.001","19.6205","0.0013","25.0846","0.0016","90","","95.114","0.003","90","","7471.3","0.8","100","","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H114 Fe2 K2 N6 O2 -","- C71 H114 Fe2 K2 N6 O2 -","- C284 H456 Fe8 K8 N24 O8 -","4","1","","Sorsche, Dieter; Miehlich, Matthias E.; Searles, Keith; Gouget, Guillaume; Zolnhofer, Eva M.; Fortier, Skye; Chen, Chun-Hsing; Gau, Michael; Carroll, Patrick J.; Murray, Christopher B.; Caulton, Kenneth G.; Khusniyarov, Marat M.; Meyer, Karsten; Mindiola, Daniel J.","Unusual Dinitrogen Binding and Electron Storage in Dinuclear Iron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01488","","","0.71073","MoKα","","0.071","0.0614","","","0.1959","0.2024","","","","","","1.061","","","","has coordinates,has disorder","251043","2020-10-21","18:00:00",""
"4134776","14.1935","0.0005","14.9296","0.0005","20.5175","0.0007","106.481","0.0014","107.308","0.0013","99.2665","0.0014","3834.6","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C80 H118 Fe K2 N6 O2 -","- C80 H118 Fe K2 N6 O2 -","- C160 H236 Fe2 K4 N12 O4 -","2","1","","Sorsche, Dieter; Miehlich, Matthias E.; Searles, Keith; Gouget, Guillaume; Zolnhofer, Eva M.; Fortier, Skye; Chen, Chun-Hsing; Gau, Michael; Carroll, Patrick J.; Murray, Christopher B.; Caulton, Kenneth G.; Khusniyarov, Marat M.; Meyer, Karsten; Mindiola, Daniel J.","Unusual Dinitrogen Binding and Electron Storage in Dinuclear Iron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01488","","","0.71073","MoKα","","0.1438","0.0881","","","0.1922","0.2177","","","","","","1.044","","","","has coordinates,has disorder","251044","2020-10-21","18:00:00",""
"4134777","9.8917","0.0005","13.3478","0.0007","20.5374","0.001","81.598","0.001","87.079","0.001","89.906","0.001","2679","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C58 H82 Fe2 N6 -","- C58 H82 Fe2 N6 -","- C116 H164 Fe4 N12 -","2","1","","Sorsche, Dieter; Miehlich, Matthias E.; Searles, Keith; Gouget, Guillaume; Zolnhofer, Eva M.; Fortier, Skye; Chen, Chun-Hsing; Gau, Michael; Carroll, Patrick J.; Murray, Christopher B.; Caulton, Kenneth G.; Khusniyarov, Marat M.; Meyer, Karsten; Mindiola, Daniel J.","Unusual Dinitrogen Binding and Electron Storage in Dinuclear Iron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01488","","","0.71073","MoKα","","0.0579","0.0391","","0.1091","0.09","0.1091","","","","","","1.0509","","","","has coordinates","251045","2020-10-21","18:00:00",""
"4134778","10.1912","0.0004","26.8069","0.0009","20.4707","0.0007","90","","100.862","0.002","90","","5492.3","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrabutylammonium [N,N'-Bis(2,6-diisopropylphenyl)-2,6-pyridinedicarboxamido] copper chloride tetrahydrofuran solvate","","- C55 H89.62 Cl Cu N4 O4.31 -","- C55 H89.6666 Cl Cu N4 O4.3333 -","- C220 H358.666 Cl4 Cu4 N16 O17.3332 -","4","1","","Bower, Jamey K.; Cypcar, Andrew D.; Henriquez, Brenda; Stieber, S Chantal E; Zhang, Shiyu","C(sp<sup>3</sup>)-H Fluorination with a Copper(II)/(III) Redox Couple.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02583","","x-ray","0.71073","MoKα","","0.0453","0.0371","","","0.0936","0.098","","","","","","1.036","","","","has coordinates,has disorder","251084","2020-10-21","18:00:00",""
"4134779","9.1436","0.0009","13.9372","0.0013","15.675","0.0013","90","","97.531","0.004","90","","1980.3","0.3","150","","150","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","['N,N'-Bis(2,6-diisopropylphenyl)-2,6-pyridinedicarboxamido] copper fluoride fluorobenzene solvate","","- C43 H47 Cu F3 N3 O2 -","- C43 H47 Cu F3 N3 O2 -","- C86 H94 Cu2 F6 N6 O4 -","2","0.5","","Bower, Jamey K.; Cypcar, Andrew D.; Henriquez, Brenda; Stieber, S Chantal E; Zhang, Shiyu","C(sp<sup>3</sup>)-H Fluorination with a Copper(II)/(III) Redox Couple.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02583","","x-ray","0.71073","MoKα","","0.0698","0.0474","","","0.0922","0.0992","","","","","","1.057","","","","has coordinates,has disorder","251085","2020-10-21","18:00:00",""
"4134780","19.3809","0.0009","13.1487","0.0006","15.3938","0.0007","90","","95.551","0.002","90","","3904.5","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[N,N'-Bis(2,6-diisopropylphenyl)-2,6-pyridinedicarboxamido] copper chloride diethyl ether solvate","","- C39 H57 Cl Cu N3 O4 -","- C39 H57 Cl Cu N3 O4 -","- C156 H228 Cl4 Cu4 N12 O16 -","4","0.5","","Bower, Jamey K.; Cypcar, Andrew D.; Henriquez, Brenda; Stieber, S Chantal E; Zhang, Shiyu","C(sp<sup>3</sup>)-H Fluorination with a Copper(II)/(III) Redox Couple.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02583","","x-ray","0.71073","MoKα","","0.0447","0.037","","","0.0935","0.0978","","","","","","1.042","","","","has coordinates,has disorder","251086","2020-10-21","18:00:00",""
"4134781","15.0248","0.0016","17.643","0.002","30.044","0.003","90","","90","","90","","7964.1","1.5","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Bis(triphenylphosphoranylidene)ammonium [N,N'-Bis(2,6-diisopropylphenyl)- 2,6-pyridinedicarboxamido] copper fluoride tetrahydrofuran solvate","","- C87 H107 Cu F N4 O7 P2 -","- C87 H107 Cu F N4 O7 P2 -","- C348 H428 Cu4 F4 N16 O28 P8 -","4","1","","Bower, Jamey K.; Cypcar, Andrew D.; Henriquez, Brenda; Stieber, S Chantal E; Zhang, Shiyu","C(sp<sup>3</sup>)-H Fluorination with a Copper(II)/(III) Redox Couple.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02583","","x-ray","0.71073","MoKα","","0.0491","0.0396","","","0.0989","0.103","","","","","","1.031","","","","has coordinates,has disorder","251087","2020-10-21","18:00:00",""
"4134782","19.5193","0.0018","13.327","0.0013","15.3535","0.0014","90","","94.521","0.003","90","","3981.5","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","PDACuBr","[N,N'-Bis(2,6-diisopropylphenyl)-2,6-pyridinedicarboxamido] copper bromide diethyl ether solvate","","- C39 H57 Br Cu N3 O4 -","- C39 H57 Br Cu N3 O4 -","- C156 H228 Br4 Cu4 N12 O16 -","4","0.5","","Bower, Jamey K.; Cypcar, Andrew D.; Henriquez, Brenda; Stieber, S Chantal E; Zhang, Shiyu","C(sp<sup>3</sup>)-H Fluorination with a Copper(II)/(III) Redox Couple.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02583","","x-ray","0.71073","MoKα","","0.0293","0.0244","","","0.0637","0.0663","","","","","","1.041","","","","has coordinates","251088","2020-10-21","18:00:00",""
"4134783","10.2228","0.0004","26.7001","0.001","20.482","0.0008","90","","101.079","0.002","90","","5486.4","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrabutylammonium [N,N'-Bis(2,6-diisopropylphenyl)- 2,6-pyridinedicarboxamido] copper bromide","","- C55 H89 Br Cu N4 O4 -","- C55 H89 Br Cu N4 O4 -","- C220 H356 Br4 Cu4 N16 O16 -","4","1","","Bower, Jamey K.; Cypcar, Andrew D.; Henriquez, Brenda; Stieber, S Chantal E; Zhang, Shiyu","C(sp<sup>3</sup>)-H Fluorination with a Copper(II)/(III) Redox Couple.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02583","","x-ray","0.71073","MoKα","","0.049","0.0366","","","0.0937","0.0988","","","","","","1.053","","","","has coordinates","251089","2020-10-21","18:00:00",""
"4134784","39.604","0.002","12.148","0.0006","15.6435","0.001","90","","90","","90","","7526.2","0.7","273.15","","273.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H60 Br Co N3 O -","- C38 H60 Br Co N3 O -","- C304 H480 Br8 Co8 N24 O8 -","8","1","","Sengupta, Debabrata; Sandoval-Pauker, Christian; Schueller, Emily C.; Encerrado-Manriquez, Angela M; Metta-Magana, Alejandro J; Lee, Wen-Yee; Seshadri, Ram; Pintér, Balázs; Fortier, Skye","Isolation of a Bimetallic Cobalt(III) Nitride and Examination of Its Hydrogen Atom Abstraction Chemistry and Reactivity Towards H2.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00291","","x-ray","0.71073","MoKα","","0.198","0.1156","","","0.1787","0.199","","","","","","1.203","","","","has coordinates","251090","2020-10-21","18:00:00",""
"4134785","17.7543","0.0014","21.2404","0.0015","10.2959","0.0009","90","","91.993","0.004","90","","3880.3","0.5","99.99","","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H104 Co2 N12 O2 -","- C76 H104 Co2 N12 O2 -","- C152 H208 Co4 N24 O4 -","2","0.5","","Sengupta, Debabrata; Sandoval-Pauker, Christian; Schueller, Emily C.; Encerrado-Manriquez, Angela M; Metta-Magana, Alejandro J; Lee, Wen-Yee; Seshadri, Ram; Pintér, Balázs; Fortier, Skye","Isolation of a Bimetallic Cobalt(III) Nitride and Examination of Its Hydrogen Atom Abstraction Chemistry and Reactivity Towards H2.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00291","","x-ray","0.71073","MoKα","","0.0781","0.0608","","","0.1504","0.1624","","","","","","1.051","","","","has coordinates,has disorder","251091","2020-10-21","18:00:00",""
"4134786","15.7471","0.0007","18.5697","0.0007","23.0557","0.001","78.769","0.002","73.599","0.002","68.813","0.002","5997.9","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C235.11 H318 Co6 N24 -","- C235.104 H318 Co6 N24 -","- C235.104 H318 Co6 N24 -","1","0.5","","Sengupta, Debabrata; Sandoval-Pauker, Christian; Schueller, Emily C.; Encerrado-Manriquez, Angela M; Metta-Magana, Alejandro J; Lee, Wen-Yee; Seshadri, Ram; Pintér, Balázs; Fortier, Skye","Isolation of a Bimetallic Cobalt(III) Nitride and Examination of Its Hydrogen Atom Abstraction Chemistry and Reactivity Towards H2.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00291","","x-ray","0.71073","MoKα","","0.0782","0.0531","","","0.1255","0.1367","","","","","","1.039","","","","has coordinates,has disorder","251092","2020-10-21","18:00:00",""
"4134787","30.437","0.002","16.9734","0.0011","15.1227","0.0011","90","","90","","90","","7812.7","0.9","99.96","","99.96","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C79 H124 Br0.19 Co2 N10.3 -","- C79 H124 Br0.195 Co2 N10.29 -","- C316 H496 Br0.78 Co8 N41.16 -","4","1","","Sengupta, Debabrata; Sandoval-Pauker, Christian; Schueller, Emily C.; Encerrado-Manriquez, Angela M; Metta-Magana, Alejandro J; Lee, Wen-Yee; Seshadri, Ram; Pintér, Balázs; Fortier, Skye","Isolation of a Bimetallic Cobalt(III) Nitride and Examination of Its Hydrogen Atom Abstraction Chemistry and Reactivity Towards H2.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00291","","","0.71073","MoKα","","0.0643","0.0479","","","0.1138","0.1222","","","","","","1.037","","","","has coordinates,has disorder","251093","2020-10-21","18:00:00",""
"4134788","12.4567","0.0009","12.6505","0.001","16.5318","0.0012","70.454","0.004","72.443","0.003","70.308","0.004","2258.4","0.3","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C90 H130 Co2 N13 Na O4 -","- C90 H130 Co2 N13 Na O4 -","- C90 H130 Co2 N13 Na O4 -","1","0.5","","Sengupta, Debabrata; Sandoval-Pauker, Christian; Schueller, Emily C.; Encerrado-Manriquez, Angela M; Metta-Magana, Alejandro J; Lee, Wen-Yee; Seshadri, Ram; Pintér, Balázs; Fortier, Skye","Isolation of a Bimetallic Cobalt(III) Nitride and Examination of Its Hydrogen Atom Abstraction Chemistry and Reactivity Towards H2.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00291","","x-ray","0.71073","MoKα","","0.082","0.0635","","","0.1469","0.1585","","","","","","1.042","","","","has coordinates","251094","2020-10-21","18:00:00",""
"4134789","14.6658","0.0016","17.54","0.002","19.039","0.0019","108.894","0.008","106.654","0.008","102.13","0.008","4184","0.9","299","2","298.97","","","","","","","","","7","P -1","-P 1","2","","","","- C140 H120 F48 N12 O4 P8 Zn -","- C140 H120 F48 N12 O4 P8 Zn -","- C140 H120 F48 N12 O4 P8 Zn -","1","0.5","","Liu, Wenqi; Lin, Chenjian; Weber, Jacob Andrew; Stern, Charlotte L.; Young, Ryan M.; Wasielewski, Michael R.; Stoddart, J. Fraser","Cyclophane-Sustained Ultrastable Porphyrins.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02311","","","1.54178","CuKα","","0.1265","0.0928","","","0.2544","0.2863","","","","","","1.071","","","","has coordinates,has disorder","251095","2020-10-21","18:00:00",""
"4134790","14.66878","0.00016","17.5021","0.0002","19.14358","0.00019","108.97","0.001","106.693","0.001","102.297","0.001","4189.71","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C134 H110 F48 N12 O2 P8 -","- C134 H110 F48 N12 O2 P8 -","- C134 H110 F48 N12 O2 P8 -","1","0.5","","Liu, Wenqi; Lin, Chenjian; Weber, Jacob Andrew; Stern, Charlotte L.; Young, Ryan M.; Wasielewski, Michael R.; Stoddart, J. Fraser","Cyclophane-Sustained Ultrastable Porphyrins.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02311","","x-ray","1.54184","CuKα","","0.0672","0.0571","","","0.1601","0.1671","","","","","","1.039","","","","has coordinates,has disorder","251096","2020-10-21","18:00:00",""
"4134791","20.0407","0.001","12.4313","0.0007","5.1226","0.0002","90","","90","","90","","1276.2","0.11","125","2","125","2","","","","","","","","5","P n a 21","P 2c -2n","33","20006z","","","- C12 H14 Cl F3 O -","- C12 H14 Cl F3 O -","- C48 H56 Cl4 F12 O4 -","4","1","","Xu, Shiyan; Holst, Hannah Marie; McGuire, Shelby Barbara; Race, Nicholas James","Reagent control enables selective and regiodivergent opening of unsymmetrical phenonium ions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02095","","","0.71073","MoKα","","0.0416","0.0355","","","0.0868","0.0918","","","","","","1.021","","","","has coordinates","251142","2020-10-21","18:00:00",""
"4134792","9.388","0.003","5.204","0.002","26.465","0.009","90","","98.911","0.015","90","","1277.3","0.8","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","20007z","","","- C13 H17 Cl O3 -","- C13 H17 Cl O3 -","- C52 H68 Cl4 O12 -","4","1","","Xu, Shiyan; Holst, Hannah Marie; McGuire, Shelby Barbara; Race, Nicholas James","Reagent control enables selective and regiodivergent opening of unsymmetrical phenonium ions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02095","","","0.71073","MoKα","","0.062","0.044","","","0.1043","0.1145","","","","","","1.004","","","","has coordinates,has disorder","251143","2020-10-21","18:00:00",""
"4134793","13.1227","0.001","6.1014","0.0004","14.7877","0.0009","90","","111.106","0.004","90","","1104.58","0.13","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H33 N O3 -","- C21 H33 N O3 -","- C42 H66 N2 O6 -","2","1","","He, Rui; Huo, Xiaohong; Zhao, Ling; Wang, Feijun; Jiang, Liyin; Liao, Jian; Zhang, Wanbin","Stereodivergent Pd/Cu Catalysis for the Dynamic Kinetic Asymmetric Transformation of Racemic Unsymmetrical 1,3-Disubstituted Allyl Acetates.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02150","","","1.54178","CuKα","","0.0937","0.0524","","","0.1338","0.1633","","","","","","0.99","","","","has coordinates","251144","2020-10-21","18:00:00",""
"4134794","6.367","0.0003","17.479","0.0008","19.6003","0.0009","90","","90","","90","","2181.29","0.17","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 N O3 -","- C21 H33 N O3 -","- C84 H132 N4 O12 -","4","1","","He, Rui; Huo, Xiaohong; Zhao, Ling; Wang, Feijun; Jiang, Liyin; Liao, Jian; Zhang, Wanbin","Stereodivergent Pd/Cu Catalysis for the Dynamic Kinetic Asymmetric Transformation of Racemic Unsymmetrical 1,3-Disubstituted Allyl Acetates.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02150","","","1.54178","CuKα","","0.0479","0.0405","","","0.1081","0.1159","","","","","","1.03","","","","has coordinates","251145","2020-10-21","18:00:00",""
"4134795","8.2796","0.0003","32.4638","0.0007","24.8002","0.0007","90","","98.611","0.003","90","","6590.8","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 N5 O9 S -","- C29 H31 N5 O9 S -","- C232 H248 N40 O72 S8 -","8","2","","Walker, Morgan M.; Koronkiewicz, Brian; Chen, Shuming; Houk, K. N.; Mayer, James M.; Ellman, Jonathan A.","Highly Diastereoselective Functionalization of Piperidines by Photoredox Catalyzed α-Amino C-H Arylation and Epimerization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13165","","","1.54184","CuKα","","0.1007","0.0659","","","0.1666","0.1839","","","","","","1.032","","","","has coordinates","251146","2020-10-21","18:00:00",""
"4134796","8.9495","0.0003","9.6147","0.0003","18.2756","0.0005","81.734","0.002","86.081","0.002","75.2","0.003","1503.77","0.08","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C29.5 H29 N5 O10 S -","- C29.5 H29 N5 O10 S -","- C59 H58 N10 O20 S2 -","2","1","","Walker, Morgan M.; Koronkiewicz, Brian; Chen, Shuming; Houk, K. N.; Mayer, James M.; Ellman, Jonathan A.","Highly Diastereoselective Functionalization of Piperidines by Photoredox Catalyzed α-Amino C-H Arylation and Epimerization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13165","","","0.71073","MoKα","","0.0361","0.0314","","","0.0813","0.0837","","","","","","1.033","","","","has coordinates,has disorder","251147","2020-10-21","18:00:00",""
"4134797","8.0919","0.0001","21.6444","0.0003","15.449","0.0002","90","","90.114","0.001","90","","2705.8","0.06","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25.5 H32 N4 O9 S -","- C25.5 H32 N4 O9 S -","- C102 H128 N16 O36 S4 -","4","1","","Walker, Morgan M.; Koronkiewicz, Brian; Chen, Shuming; Houk, K. N.; Mayer, James M.; Ellman, Jonathan A.","Highly Diastereoselective Functionalization of Piperidines by Photoredox Catalyzed α-Amino C-H Arylation and Epimerization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13165","","","1.54184","CuKα","","0.0612","0.0581","","","0.1486","0.1509","","","","","","1.112","","","","has coordinates,has disorder","251148","2020-10-21","18:00:00",""
"4134798","9.7906","0.0004","17.229","0.0007","18.2219","0.0008","90","","102.724","0.004","90","","2998.2","0.2","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 N5 O9 S -","- C29 H31 N5 O9 S -","- C116 H124 N20 O36 S4 -","4","1","","Walker, Morgan M.; Koronkiewicz, Brian; Chen, Shuming; Houk, K. N.; Mayer, James M.; Ellman, Jonathan A.","Highly Diastereoselective Functionalization of Piperidines by Photoredox Catalyzed α-Amino C-H Arylation and Epimerization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13165","","","0.71073","MoKα","","0.0423","0.0353","","","0.0873","0.0906","","","","","","1.026","","","","has coordinates","251149","2020-10-21","18:00:00",""
"4134799","8.1117","0.0003","19.7564","0.0008","18.3015","0.0009","90","","92.656","0.004","90","","2929.8","0.2","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 N5 O9 S -","- C29 H31 N5 O9 S -","- C116 H124 N20 O36 S4 -","4","1","","Walker, Morgan M.; Koronkiewicz, Brian; Chen, Shuming; Houk, K. N.; Mayer, James M.; Ellman, Jonathan A.","Highly Diastereoselective Functionalization of Piperidines by Photoredox Catalyzed α-Amino C-H Arylation and Epimerization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13165","","","1.54184","CuKα","","0.149","0.091","","","0.2056","0.2395","","","","","","1.051","","","","has coordinates,has disorder","251150","2020-10-21","18:00:00",""
"4134800","16.6583","0.0002","9.9298","0.0001","19.3483","0.0002","90","","90","","90","","3200.47","0.06","108","3","108","3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C168 H152 N8 O16 -","8","1","","Wang, Hao; Gao, Yuzhen; Zhou, Chunlin; Li, Gang","Visible-Light-Driven Reductive Carboarylation of Styrenes with CO<sub>2</sub> and Aryl Halides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03144","","","1.3405","GaKα","","0.0375","0.0355","","","0.0877","0.0891","","","","","","1.038","","","","has coordinates","251152","2020-10-21","18:00:00",""
"4134801","20.9233","0.0005","20.9233","0.0005","26.342","0.0001","90","","90","","90","","11532.1","0.4","100","2","100","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C35 H44 B20 Cu2 N O9 -","- C35 H44 B20 Cu2 N O9 -","- C280 H352 B160 Cu16 N8 O72 -","8","0.5","","Gan, Lei; Chidambaram, Arunraj; Fonquernie, Pol G.; Light, Mark E.; Choquesillo-Lazarte, Duane; Huang, Hongliang; Solano, Eduardo; Fraile, Julio; Viñas, Clara; Teixidor, Francesc; Navarro, Jorge A. R.; Stylianou, Kyriakos C.; Planas, José G.","A Highly Water-Stable meta-Carborane-Based Copper Metal‒Organic Framework for Efficient High-Temperature Butanol Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01008","","x-ray","0.72932","synchrotron","","0.047","0.0456","","","0.1396","0.1413","","","","","","1.066","","","","has coordinates,has disorder","251190","2020-10-21","18:00:00",""
"4134802","11.1897","0.0002","22.9476","0.0004","11.9706","0.0002","90","","97.33","0.002","90","","3048.65","0.09","169.99","0.13","169.99","0.13","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C68 H56 O9 -","- C68 H56 O8 -","- C136 H112 O16 -","2","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.0838","0.0771","","","0.2279","0.2382","","","","","","1.032","","","","has coordinates","251219","2020-10-21","18:00:00",""
"4134803","15.7416","0.0005","18.3691","0.0006","18.8001","0.0006","90","","98.056","0.003","90","","5382.6","0.3","170","0.15","170","0.15","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C69 H58 Cl2 O8 -","- C69 H58 Cl2 O8 -","- C276 H232 Cl8 O32 -","4","0.5","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.139","0.0853","","","0.2261","0.2763","","","","","","1.026","","","","has coordinates,has disorder","251220","2020-10-21","18:00:00",""
"4134804","11.23","0.0002","22.991","0.0006","11.992","0.0003","90","","97.123","0.002","90","","3072.31","0.12","170.01","0.12","170.01","0.12","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C68 H56 O8 -","- C68 H56 O8 -","- C136 H112 O16 -","2","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.086","0.0815","","","0.2363","0.2417","","","","","","1.029","","","","has coordinates","251221","2020-10-21","18:00:00",""
"4134805","22.3783","0.0002","23.7901","0.0002","10.9436","0.0001","90","","100.149","0.001","90","","5735.01","0.09","169.99","0.14","169.99","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H60 Cl4 O8 -","- C70 H60 Cl4 O8 -","- C280 H240 Cl16 O32 -","4","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.1041","0.093","","","0.2568","0.2723","","","","","","1.038","","","","has coordinates","251222","2020-10-21","18:00:00",""
"4134806","11.5052","0.0002","26.1338","0.0004","21.4462","0.0004","90","","105.098","0.002","90","","6225.74","0.19","169.99","0.13","169.99","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H66 F6 N O8 P -","- C75 H66 F6 N O8 P -","- C300 H264 F24 N4 O32 P4 -","4","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.1087","0.0796","","","0.2258","0.2416","","","","","","1.631","","","","has coordinates,has disorder","251223","2020-10-21","18:00:00",""
"4134807","11.5277","0.0003","25.8886","0.0004","21.7575","0.0005","90","","101.989","0.003","90","","6351.6","0.3","170","0.1","170","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C73 H65 F6 N2 O8 P -","- C73 H65 F6 N2 O8 P -","- C292 H260 F24 N8 O32 P4 -","4","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.12","0.0895","","","0.2342","0.2557","","","","","","1.045","","","","has coordinates,has disorder","251224","2020-10-21","18:00:00",""
"4134808","11.8713","0.0002","21.3316","0.0003","24.2532","0.0004","90","","100.206","0.001","90","","6044.55","0.17","169.98","0.16","169.98","0.16","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C77 H77 O8 -","- C77 H77 O8 -","- C308 H308 O32 -","4","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.0928","0.0637","","","0.1768","0.2054","","","","","","1.018","","","","has coordinates,has disorder","251225","2020-10-21","18:00:00",""
"4134809","11.2952","0.0002","16.2834","0.0003","16.3725","0.0002","86.306","0.001","82.719","0.001","75.013","0.002","2883.84","0.09","169.99","0.16","169.99","0.16","","","","","","","","3","P -1","-P 1","2","","","","- C68 H56 O8 -","- C68 H56 O8 -","- C136 H112 O16 -","2","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.1156","0.0818","","","0.2322","0.2676","","","","","","1.046","","","","has coordinates","251226","2020-10-21","18:00:00",""
"4134810","12.1031","0.0002","21.4125","0.0004","25.1008","0.0004","90","","100.874","0.002","90","","6388.26","0.19","169.99","0.13","169.99","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C74 H64 N2 O8 -","- C74 H64 N2 O8 -","- C296 H256 N8 O32 -","4","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.1555","0.1396","","","0.3588","0.368","","","","","","2.663","","","","has coordinates","251227","2020-10-21","18:00:00",""
"4134811","11.7975","0.001","11.833","0.0012","43.114","0.004","90","","90","","90","","6018.7","1","169.99","0.1","169.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C68 H56 O8 -","- C68 H56 O8 -","- C272 H224 O32 -","4","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.2096","0.1407","","","0.3333","0.3811","","","","","","1.06","","","","has coordinates","251228","2020-10-21","18:00:00",""
"4134812","16.138","0.003","11.909","0.002","11.905","0.002","90","","90","0.03","90","","2288","0.7","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C7 H21 Br7 N4 Pb2 -","- C7 H21 Br7 N4 Pb2 -","- C28 H84 Br28 N16 Pb8 -","4","2","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.2444","0.0633","","","0.1319","0.1907","","","","","","0.771","","","","has coordinates","251229","2020-10-21","18:00:00",""
"4134813","8.4615","0.0017","8.465","0.0017","16.004","0.003","90","","89.99","0.03","90","","1146.3","0.4","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C7 H21 Br7 N4 Pb2 -","- C7 H21 Br7 N4 Pb2 -","- C14 H42 Br14 N8 Pb4 -","2","0.5","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.056","0.046","","","0.1138","0.1196","","","","","","1.076","","","","has coordinates,has disorder","251230","2020-10-21","18:00:00",""
"4134814","16.0142","0.0012","8.4185","0.0007","8.4164","0.0006","90","","90.024","0.003","90","","1134.66","0.15","293","2","292.93","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C8 H26 Br7 N4 Pb2 -","- C7 H16 Br7 N3 Pb2 -","- C14 H32 Br14 N6 Pb4 -","2","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.0638","0.0448","","","0.14","0.1565","","","","","","1.065","","","","has coordinates","251231","2020-10-21","18:00:00",""
"4134815","8.4121","0.0008","8.4176","0.0009","15.9228","0.0019","90","","89.983","0.004","90","","1127.5","0.2","293","2","293","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C7 H22 Br7 N4 Pb2 -","- C13 Br7 N Pb2 -","- C26 Br14 N2 Pb4 -","2","0.5","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.0473","0.0443","","","0.1365","0.1419","","","","","","1.104","","","","has coordinates","251232","2020-10-21","18:00:00",""
"4134816","33.433","0.007","8.3738","0.0017","8.376","0.0017","90","","104.45","0.03","90","","2270.8","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H22 Br7 N3 Pb2 -","- C7 H22 Br7 N3 Pb2 -","- C28 H88 Br28 N12 Pb8 -","4","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.1814","0.0795","","","0.1826","0.2385","","","","","","0.929","","","","has coordinates","251233","2020-10-21","18:00:00",""
"4134817","16.193","0.002","8.3678","0.0011","8.3469","0.001","90","","89.921","0.006","90","","1131","0.2","293","2","293.01","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C7 H0.5 Br7 N3 Pb2 -","- C7 H16 Br7 N3 Pb2 -","- C14 H32 Br14 N6 Pb4 -","2","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.0767","0.0576","","","0.169","0.1851","","","","","","1.07","","","","has coordinates","251234","2020-10-21","18:00:00",""
"4134818","16.0382","0.0013","8.4484","0.0007","8.4494","0.0006","90","","89.994","0.0015","90","","1144.87","0.16","298","2","297.98","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C7 H21 Br7 N4 Pb2 -","- C7 H21 Br7 N4 Pb2 -","- C14 H42 Br14 N8 Pb4 -","2","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.0768","0.0505","","","0.1528","0.1757","","","","","","1.048","","","","has coordinates","251235","2020-10-21","18:00:00",""
"4134819","15.952","0.003","8.4134","0.0017","8.4135","0.0017","90","","90.07","0.03","90","","1129.2","0.4","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C7 H22 Br7 N3 Pb2 -","- C7 H22 Br7 N3 Pb2 -","- C14 H44 Br14 N6 Pb4 -","2","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.1276","0.0897","","","0.2695","0.3089","","","","","","1.071","","","","has coordinates","251236","2020-10-21","18:00:00",""
"4134820","33.2368","0.0017","8.3841","0.0005","8.3801","0.0004","90","","104.599","0.002","90","","2259.8","0.2","293","2","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H22 Br7 N3 Pb2 -","- C7 H22 Br7 N3 Pb2 -","- C28 H88 Br28 N12 Pb8 -","4","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.0718","0.0461","","","0.1348","0.1509","","","","","","0.998","","","","has coordinates","251237","2020-10-21","18:00:00",""
"4134821","25.785","0.003","13.9805","0.0017","20.86","0.003","90","","106.277","0.003","90","","7218.4","1.6","99.97","","99.97","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C53.5 H110 O15 Si10 U -","- C53.5 H108 O15 Si10 U -","- C214 H432 O60 Si40 U4 -","4","1","","Assefa, Mikiyas K.; Wu, Guang; Hayton, Trevor W.","Uranyl oxo silylation promoted by silsesquioxane coordination.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00990","","","0.71073","MoKα","","0.1386","0.0785","","","0.1681","0.1943","","","","","","1.02","","","","has coordinates,has disorder","251275","2020-10-21","18:00:00",""
"4134822","19.266","0.004","31.423","0.006","24.877","0.005","90","","92.053","0.003","90","","15051","5","100","2","100.19","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102 H189 N5 O32 Si14 U3 -","- C102 H169 N5 O32 Si14 U3 -","- C408 H676 N20 O128 Si56 U12 -","4","1","","Assefa, Mikiyas K.; Wu, Guang; Hayton, Trevor W.","Uranyl oxo silylation promoted by silsesquioxane coordination.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00990","","","0.71073","MoKα","","0.1831","0.0943","","","0.2271","0.2844","","","","","","1.009","","","","has coordinates","251275","2020-10-21","18:00:00",""
"4134823","18.9919","0.0014","25.2308","0.0018","21.8579","0.0016","90","","90","","90","","10473.9","1.3","110.04","","110.04","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C84 H154 O24 Si14 U -","- C84 H80 O24 Si14 U -","- C336 H320 O96 Si56 U4 -","4","0.25","","Assefa, Mikiyas K.; Wu, Guang; Hayton, Trevor W.","Uranyl oxo silylation promoted by silsesquioxane coordination.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00990","","","0.71073","MoKα","","0.0949","0.0714","","","0.1784","0.1936","","","","","","1.047","","","","has coordinates,has disorder","251275","2020-10-21","18:00:00",""
"4134824","18.8172","0.0011","28.943","0.002","26.8419","0.0016","90","","103.13","0.003","90","","14236.6","1.6","109.94","","109.94","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C116 H218 Li2 O32 Si14 U -","- C116 H186 Li2 O32 Si14 U -","- C464 H744 Li8 O128 Si56 U4 -","4","1","","Assefa, Mikiyas K.; Wu, Guang; Hayton, Trevor W.","Uranyl oxo silylation promoted by silsesquioxane coordination.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00990","","","0.71073","MoKα","","0.2088","0.1171","","","0.298","0.3534","","","","","","1.021","","","","has coordinates","251275","2020-10-21","18:00:00",""
"4134825","14.417","0.004","15.026","0.004","30.501","0.009","78.946","0.004","77.534","0.003","64.451","0.003","5784","3","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C92.5 H171 Cl Li O26 Si14 U -","- C92.5 H155 Cl Li O26 Si14 U -","- C185 H310 Cl2 Li2 O52 Si28 U2 -","2","1","","Assefa, Mikiyas K.; Wu, Guang; Hayton, Trevor W.","Uranyl oxo silylation promoted by silsesquioxane coordination.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00990","","","0.71073","MoKα","","0.1239","0.0826","","","0.2139","0.2433","","","","","","0.991","","","","has coordinates,has disorder","251275","2020-10-21","18:00:00",""
"4134826","8.65271","","8.65271","","15.0844","","90","","90","","120","","978.054","","","","","","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C4 H8 B N2 O3 Zn2 -","- C4 H8 B N2 O3 Zn2 -","- C24 H48 B6 N12 O18 Zn12 -","6","1","","Cao, Lei; Dai, Pengcheng; Tang, Jing; Li, Dong; Chen, Ruihua; Liu, Dandan; Gu, Xin; Li, Liangjun; Bando, Yoshio; Ok, Yong Sik; Zhao, Xuebo; Yamauchi, Yusuke","Spherical Superstructure of Boron Nitride Nanosheets Derived from Boron-Containing Metal-Organic Frameworks.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01023","","","","","","","","","","","","","","","","","","","","","has coordinates","251276","2020-10-21","18:00:00",""
"4134827","13.1334","0.0001","14.2586","0.0001","31.8035","0.0003","86.195","0.001","83.239","0.001","69.168","0.001","5525.68","0.09","170","2","169.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C52 H36 B Cl8 I N2 O2 -","- C52 H36 B Cl8 I N2 O2 -","- C208 H144 B4 Cl32 I4 N8 O8 -","4","2","","Heinen, Flemming; Engelage, Elric; Cramer, Christopher J.; Huber, Stefan M.","Hypervalent Iodine(III) Compounds as Biaxial Halogen Bond Donors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13309","","x-ray","1.54184","CuKα","","0.0315","0.029","","","0.0741","0.0754","","","","","","1.049","","","","has coordinates","251277","2020-10-21","18:00:00",""
"4134828","9.4757","0.0002","18.517","0.0004","8.3509","0.0002","90","","103.09","0.002","90","","1427.19","0.06","170","2","169.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","o-phenylene-bis(N,N-dimethylpropiolamide)","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","","Heinen, Flemming; Engelage, Elric; Cramer, Christopher J.; Huber, Stefan M.","Hypervalent Iodine(III) Compounds as Biaxial Halogen Bond Donors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13309","","x-ray","1.54184","CuKα","","0.0467","0.0409","","","0.1123","0.1166","","","","","","1.065","","","","has coordinates","251278","2020-10-21","18:00:00",""
"4134829","7.7739","0.0017","11.619","0.003","15.966","0.004","90","","96.442","0.008","90","","1433","0.6","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Cr2 Si2 -","- C24 H44 Cr2 Si2 -","- C48 H88 Cr4 Si4 -","2","0.5","","Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin","Dinitrogen Activation and Hydrogenation by C<sub>5</sub>Me<sub>4</sub>SiMe<sub>3</sub>-Ligated Di- and Trinuclear Chromium Hydride Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02939","","","0.71073","MoKα","","0.0502","0.0416","","","0.1103","0.1159","","","","","","1.069","","","","has coordinates","251279","2020-10-21","18:00:00",""
"4134830","20.6422","0.0009","20.6422","0.0009","19.1449","0.0009","90","","90","","120","","7064.7","0.5","173.15","","173.15","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C42 H79 Cr3 Si3 -","- C42 H79 Cr3 Si3 -","- C252 H474 Cr18 Si18 -","6","0.333333","","Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin","Dinitrogen Activation and Hydrogenation by C<sub>5</sub>Me<sub>4</sub>SiMe<sub>3</sub>-Ligated Di- and Trinuclear Chromium Hydride Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02939","","","0.71073","MoKα","","0.0719","0.0564","","","0.1639","0.1819","","","","","","1.048","","","","has coordinates","251279","2020-10-21","18:00:00",""
"4134831","24.5565","0.0011","11.8827","0.0005","21.1647","0.0009","90","","107.75","0.0015","90","","5881.8","0.4","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H100 Cr4 N2 Si4 -","- C54 H100 Cr4 N2 Si4 -","- C216 H400 Cr16 N8 Si16 -","4","1","","Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin","Dinitrogen Activation and Hydrogenation by C<sub>5</sub>Me<sub>4</sub>SiMe<sub>3</sub>-Ligated Di- and Trinuclear Chromium Hydride Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02939","","","0.71073","MoKα","","0.0895","0.0421","","","0.0882","0.1038","","","","","","1.01","","","","has coordinates,has disorder","251279","2020-10-21","18:00:00",""
"4134832","11.8059","0.0004","20.8085","0.0008","43.452","0.0016","90","","90","","90","","10674.6","0.7","173.15","","173.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C48 H86 Cr4 N2 Si4 -","- C48 H86 Cr4 N2 Si4 -","- C384 H688 Cr32 N16 Si32 -","8","1","","Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin","Dinitrogen Activation and Hydrogenation by C<sub>5</sub>Me<sub>4</sub>SiMe<sub>3</sub>-Ligated Di- and Trinuclear Chromium Hydride Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02939","","","0.71073","MoKα","","0.0601","0.0366","","","0.0789","0.0874","","","","","","1.065","","","","has coordinates","251279","2020-10-21","18:00:00",""
"4134833","28.9967","0.0011","11.1756","0.0004","32.7459","0.0013","90","","94.35","0.001","90","","10580.9","0.7","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H86 Cr4 N2 Si4 -","- C48 H86 Cr4 N2 Si4 -","- C384 H688 Cr32 N16 Si32 -","8","1","","Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin","Dinitrogen Activation and Hydrogenation by C<sub>5</sub>Me<sub>4</sub>SiMe<sub>3</sub>-Ligated Di- and Trinuclear Chromium Hydride Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02939","","","0.71073","MoKα","","0.0604","0.036","","","0.0793","0.0897","","","","","","1.0511","","","","has coordinates","251279","2020-10-21","18:00:00",""
"4134834","24.137","0.0009","11.8989","0.0004","21.1755","0.0008","90","","108.438","0.0013","90","","5769.5","0.4","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H92 Cr4 N2 Si4 -","- C54 H92 Cr4 N2 Si4 -","- C216 H368 Cr16 N8 Si16 -","4","0.5","","Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin","Dinitrogen Activation and Hydrogenation by C<sub>5</sub>Me<sub>4</sub>SiMe<sub>3</sub>-Ligated Di- and Trinuclear Chromium Hydride Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02939","","","0.71073","MoKα","","0.0504","0.0322","","","0.0716","0.0784","","","","","","1.031","","","","has coordinates,has disorder","251279","2020-10-21","18:00:00",""
"4134835","37.955","0.01","10.84","0.003","19.797","0.006","90","","92.239","0.01","90","","8139","4","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H65 Cr3 N2 Si3 -","- C36 H65 Cr3 N2 Si3 -","- C288 H520 Cr24 N16 Si24 -","8","2","","Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin","Dinitrogen Activation and Hydrogenation by C<sub>5</sub>Me<sub>4</sub>SiMe<sub>3</sub>-Ligated Di- and Trinuclear Chromium Hydride Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02939","","","0.71073","MoKα","","0.1054","0.0774","","","0.1883","0.2014","","","","","","1.119","","","","has coordinates,has disorder","251279","2020-10-21","18:00:00",""
"4134836","13.721","0.0003","20.3857","0.0006","8.8553","0.0008","90","","90","","90","","2476.9","0.2","440","","440","","","","","","","","","5","I b a m","-I 2 2c","72","Octanediammonium Tin iodide","","","- C8 H22 I6 N2 Sn2 -","- C8 H22 I6 N2 Sn2 -","- C32 H88 I24 N8 Sn8 -","4","0.25","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Guo, Peijun; Sidhik, Siraj; Kepenekian, Mikaël; Even, Jacky; Mohite, Aditya D.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Water Stable 1D Hybrid Tin(II) Iodide Emits Broad Light with 36% Photoluminescence Quantum Efficiency.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03004","","x-ray","0.71073","MoKα","","0.0662","0.0472","","","0.1194","0.1249","","","","3.22","3.22","2.82","","","","has coordinates","251280","2020-10-21","18:00:00",""
"4134837","21.0227","0.0012","13.4267","0.0008","8.6803","0.0005","90","","108.817","0.0019","90","","2319.2","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Octanediammonium Tin iodide","","","- C8 H22 I6 N2 Sn2 -","- C8 H22 I6 N2 Sn2 -","- C32 H88 I24 N8 Sn8 -","4","0.5","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Guo, Peijun; Sidhik, Siraj; Kepenekian, Mikaël; Even, Jacky; Mohite, Aditya D.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Water Stable 1D Hybrid Tin(II) Iodide Emits Broad Light with 36% Photoluminescence Quantum Efficiency.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03004","","x-ray","0.71073","MoKα","","0.0177","0.0171","","","0.0516","0.0519","","","","1.43","1.43","1.42","","","","has coordinates","251281","2020-10-21","18:00:00",""
"4134838","21.1574","0.0008","13.5267","0.0005","8.75","0.0003","90","","108.89","0.0017","90","","2369.3","0.15","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Octanediammonium Tin iodide","","","- C8 H22 I6 N2 Sn2 -","- C8 H22 I6 N2 Sn2 -","- C32 H88 I24 N8 Sn8 -","4","0.5","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Guo, Peijun; Sidhik, Siraj; Kepenekian, Mikaël; Even, Jacky; Mohite, Aditya D.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Water Stable 1D Hybrid Tin(II) Iodide Emits Broad Light with 36% Photoluminescence Quantum Efficiency.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03004","","x-ray","0.71073","MoKα","","0.038","0.0287","","","0.0718","0.0764","","","","1.4","1.4","1.35","","","","has coordinates","251282","2020-10-21","18:00:00",""
"4134839","12.0899","0.0003","35.279","0.0008","52.6465","0.0012","90","","93.8197","0.0005","90","","22404.9","0.9","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H62.5 Fe N1.5 O P2 S4 Si4 -","- C50 H62.5 Fe N1.5 O P2 S4 Si4 -","- C800 H1000 Fe16 N24 O16 P32 S64 Si64 -","16","4","","Chiang, Chuan-Kuei; Chu, Kai-Ti; Lin, Chia-Chin; Xie, Shi-Rou; Liu, Yu-Chiao; Demeshko, Serhiy; Lee, Gene-Hsiang; Meyer, Franc; Tsai, Ming-Li; Chiang, Ming-Hsi; Lee, Chien-Ming","Photoinduced NO and HNO Production from Mononuclear {FeNO}<sup>6</sup> Complex Bearing a Pendant Thiol.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13837","","","1.54178","CuKα","","0.0734","0.0506","","","0.1271","0.1442","","","","","","1.024","","","","has coordinates","251283","2020-10-21","18:00:00",""
"4134840","11.6404","0.0003","17.7643","0.0005","27.4234","0.0008","90","","99.8809","0.0009","90","","5586.6","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H69 Fe O P2 S4 Si4 -","- C53 H69 Fe O P2 S4 Si4 -","- C212 H276 Fe4 O4 P8 S16 Si16 -","4","1","","Chiang, Chuan-Kuei; Chu, Kai-Ti; Lin, Chia-Chin; Xie, Shi-Rou; Liu, Yu-Chiao; Demeshko, Serhiy; Lee, Gene-Hsiang; Meyer, Franc; Tsai, Ming-Li; Chiang, Ming-Hsi; Lee, Chien-Ming","Photoinduced NO and HNO Production from Mononuclear {FeNO}<sup>6</sup> Complex Bearing a Pendant Thiol.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13837","","","0.71073","MoKα","","0.0833","0.0642","","","0.1405","0.151","","","","","","1.138","","","","has coordinates","251284","2020-10-21","18:00:00",""
"4134841","11.1747","0.0005","17.9172","0.0007","27.6759","0.0012","90","","99.7297","0.0011","90","","5461.5","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H64 Cl2 Fe P2 S4 Si4 -","- C49 H60 Cl2 Fe P2 S4 Si4 -","- C196 H240 Cl8 Fe4 P8 S16 Si16 -","4","1","","Chiang, Chuan-Kuei; Chu, Kai-Ti; Lin, Chia-Chin; Xie, Shi-Rou; Liu, Yu-Chiao; Demeshko, Serhiy; Lee, Gene-Hsiang; Meyer, Franc; Tsai, Ming-Li; Chiang, Ming-Hsi; Lee, Chien-Ming","Photoinduced NO and HNO Production from Mononuclear {FeNO}<sup>6</sup> Complex Bearing a Pendant Thiol.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13837","","","0.71073","MoKα","","0.0603","0.0466","","","0.1147","0.1257","","","","","","1.055","","","","has coordinates,has disorder","251285","2020-10-21","18:00:00",""
"4134842","27.3961","0.0004","17.5818","0.0002","28.1908","0.0004","90","","90","","90","","13578.7","0.3","200","2","200","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C65 H71 Mn N2 O2 P3 S3 Si3 -","- C65 H71 Mn N2 O2 P3 S3 Si3 -","- C520 H568 Mn8 N16 O16 P24 S24 Si24 -","8","1","","Chiang, Chuan-Kuei; Chu, Kai-Ti; Lin, Chia-Chin; Xie, Shi-Rou; Liu, Yu-Chiao; Demeshko, Serhiy; Lee, Gene-Hsiang; Meyer, Franc; Tsai, Ming-Li; Chiang, Ming-Hsi; Lee, Chien-Ming","Photoinduced NO and HNO Production from Mononuclear {FeNO}<sup>6</sup> Complex Bearing a Pendant Thiol.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13837","","","1.54178","CuKα","","0.0448","0.041","","","0.1217","0.1272","","","","","","1.034","","","","has coordinates,has disorder","251286","2020-10-21","18:00:00",""
"4134843","11.2716","0.0003","14.8244","0.0004","19.6616","0.0006","90","","90.5417","0.0009","90","","3285.2","0.16","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 Mn N O P S3 Si3 -","- C27 H36 Mn N O P S3 Si3 -","- C108 H144 Mn4 N4 O4 P4 S12 Si12 -","4","1","","Chiang, Chuan-Kuei; Chu, Kai-Ti; Lin, Chia-Chin; Xie, Shi-Rou; Liu, Yu-Chiao; Demeshko, Serhiy; Lee, Gene-Hsiang; Meyer, Franc; Tsai, Ming-Li; Chiang, Ming-Hsi; Lee, Chien-Ming","Photoinduced NO and HNO Production from Mononuclear {FeNO}<sup>6</sup> Complex Bearing a Pendant Thiol.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13837","","","0.71073","MoKα","","0.0404","0.0306","","","0.0747","0.0823","","","","","","1.054","","","","has coordinates","251287","2020-10-21","18:00:00",""
"4134844","11.6493","0.0003","18.6748","0.0005","27.5515","0.0008","90","","93.9162","0.0007","90","","5979.8","0.3","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C50 H63 Cl4 Fe N O P2 S4 Si4 -","- C50 H63 Cl4 Fe N O P2 S4 Si4 -","- C200 H252 Cl16 Fe4 N4 O4 P8 S16 Si16 -","4","1","","Chiang, Chuan-Kuei; Chu, Kai-Ti; Lin, Chia-Chin; Xie, Shi-Rou; Liu, Yu-Chiao; Demeshko, Serhiy; Lee, Gene-Hsiang; Meyer, Franc; Tsai, Ming-Li; Chiang, Ming-Hsi; Lee, Chien-Ming","Photoinduced NO and HNO Production from Mononuclear {FeNO}<sup>6</sup> Complex Bearing a Pendant Thiol.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13837","","","0.71073","MoKα","","0.0815","0.0694","","","0.1865","0.196","","","","","","1.068","","","","has coordinates,has disorder","251288","2020-10-21","18:00:00",""
"4134845","6.1878","0.0004","14.9676","0.0014","17.511","0.002","90","","90","","90","","1621.8","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","The Total Synthesis of (-)-Scabrolide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02513","","","1.54178","CuKα","","0.0369","0.0353","","","0.0889","0.0906","","","","","","1.048","","","","has coordinates","251312","2020-10-21","18:00:00",""
"4134846","9.0245","0.0013","13.383","0.002","16.329","0.003","90","","90","","90","","1972.1","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 O9 -","- C19 H32 O9 -","- C76 H128 O36 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","The Total Synthesis of (-)-Scabrolide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02513","","","1.54178","CuKα","","0.0315","0.0314","","","0.0874","0.0875","","","","","","1.087","","","","has coordinates","251313","2020-10-21","18:00:00",""
"4134847","6.9085","0.0014","10.3765","0.0019","17.058","0.003","90","","90.92","0.007","90","","1222.7","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H34 O4 Si -","- C27 H34 O4 Si -","- C54 H68 O8 Si2 -","2","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","The Total Synthesis of (-)-Scabrolide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02513","","","0.71073","MoKα","","0.0511","0.0401","","","0.0827","0.0865","","","","","","1.035","","","","has coordinates","251314","2020-10-21","18:00:00",""
"4134848","10.221","0.003","12.581","0.003","13.333","0.004","90","","90","","90","","1714.5","0.8","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O6 -","- C19 H26 O6 -","- C76 H104 O24 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","The Total Synthesis of (-)-Scabrolide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02513","","","0.71073","MoKα","","0.0592","0.0424","","","0.0942","0.1007","","","","","","1.069","","","","has coordinates","251315","2020-10-21","18:00:00",""
"4134849","13.3703","0.0002","6.6693","0.0001","8.8119","0.0001","90","","103.953","0.001","90","","762.577","0.019","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 -","- C20 H22 -","- C40 H44 -","2","0.5","","Zhang, Sheng; Bedi, Deepika; Cheng, L. U.; Unruh, Daniel K.; Li, Guigen; Findlater, Michael","Cobalt (II)-Catalyzed Stereoselective Olefin Isomerization: Facile Access to Acyclic Trisubstituted Alkenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02101","","x-ray","1.54178","CuKα","","0.0455","0.043","","","0.123","0.1259","","","","","","1.047","","","","has coordinates","251316","2020-10-21","18:00:00",""
"4134850","7.4","0.004","9.556","0.004","13.814","0.008","104.002","0.018","101.714","0.019","100.72","0.02","899.2","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 Cl3 N2 O3 S -","- C15 H17 Cl3 N2 O3 S -","- C30 H34 Cl6 N4 O6 S2 -","2","1","","Estrada, Jesús G; Williams, Wendy L.; Ting, Stephen I.; Doyle, Abigail G.","Role of Electron-Deficient Olefin Ligands in a Ni-Catalyzed Aziridine Cross-Coupling To Generate Quaternary Carbons.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02237","","","0.71073","MoKα","","0.0533","0.0377","","","0.0956","0.1065","","","","","","1.092","","","","has coordinates","251317","2020-10-21","18:00:00",""
"4134851","18.0821","0.0011","24.2024","0.0015","24.6475","0.0014","90","","110.073","0.004","90","","10131.3","1.1","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C124 H82 Cl6 -","- C124 H82 Cl6 -","- C496 H328 Cl24 -","4","1","","Schaub, Tobias A.; Prantl, Ephraim A.; Kohn, Julia; Bursch, Markus; Marshall, Checkers R.; Leonhardt, Erik James; Lovell, Terri C.; Zakharov, Lev N.; Brozek, Carl K.; Waldvogel, Siegfried R.; Grimme, Stefan; Jasti, Ramesh","Exploration of the Solid-State Sorption Properties of Shape-persistent Macrocyclic Nanocarbons as Bulk Materials and Small Aggregates.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01117","","","1.54178","CuKα","","0.1996","0.1187","","","0.3055","0.347","","","","","","1.044","","","","has coordinates","251318","2020-10-21","18:00:00",""
"4134852","20.902","0.0008","20.9356","0.0008","22.3508","0.0008","71.185","0.002","88.023","0.002","83.811","0.002","9204","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C101.83 H64.83 Cl14.48 -","- C98.8265 H61.8265 Cl5.4795 -","- C395.306 H247.306 Cl21.918 -","4","2","","Schaub, Tobias A.; Prantl, Ephraim A.; Kohn, Julia; Bursch, Markus; Marshall, Checkers R.; Leonhardt, Erik James; Lovell, Terri C.; Zakharov, Lev N.; Brozek, Carl K.; Waldvogel, Siegfried R.; Grimme, Stefan; Jasti, Ramesh","Exploration of the Solid-State Sorption Properties of Shape-persistent Macrocyclic Nanocarbons as Bulk Materials and Small Aggregates.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01117","","","1.54178","CuKα","","0.1247","0.1065","","","0.3295","0.3545","","","","","","1.044","","","","has coordinates","251319","2020-10-21","18:00:00",""
"4134853","38.384","0.003","15.8148","0.0013","32.575","0.003","90","","93.97","0.005","90","","19727","3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C123 H116 N4 O7.5 -","- C113 H96 N4 O5 -","- C904 H768 N32 O40 -","8","1","","Schaub, Tobias A.; Prantl, Ephraim A.; Kohn, Julia; Bursch, Markus; Marshall, Checkers R.; Leonhardt, Erik James; Lovell, Terri C.; Zakharov, Lev N.; Brozek, Carl K.; Waldvogel, Siegfried R.; Grimme, Stefan; Jasti, Ramesh","Exploration of the Solid-State Sorption Properties of Shape-persistent Macrocyclic Nanocarbons as Bulk Materials and Small Aggregates.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01117","","","1.54178","CuKα","","0.1416","0.0876","","","0.2435","0.2743","","","","","","1.005","","","","has coordinates","251320","2020-10-21","18:00:00",""
"4134854","24.943","0.005","25.029","0.005","48.678","0.01","90","","90","","90","","30390","11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C168 H277 N72 Pd12 -","- C168 H277 N72 Pd12 -","- C672 H1108 N288 Pd48 -","4","1","","Howlader, Prodip; Zangrando, Ennio; Mukherjee, Partha Sarathi","Self-Assembly of Enantiopure Pd12 Tetrahedral Homochiral Nano-Cages with Tetrazole Linkers and Chiral Recognition.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03551","","","0.7","synchrotron","","0.0732","0.0456","","","0.1106","0.1196","","","","","","0.928","","","","has coordinates","251364","2020-10-21","18:00:00",""
"4134855","14.765","0.005","16.931","0.003","22.655","0.003","90","","90","","90","","5663","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H36 Cu N -","- C37 H36 Cu N -","- C296 H288 Cu8 N8 -","8","1","","Gernert, Markus; Balles-Wolf, Lukas; Kerner, Florian; M Uuml Ller, Ulrich; Schmiedel, Alexander; Holzapfel, Marco; Marian, Christel M.; Pflaum, Jens; Lambert, Christoph; Steffen, Andreas","Cyclic (amino)(aryl)carbenes (CAArCs) enter the field of chromophore ligands - Expanded π system leads to unusually deep red emitting Cu<sup>I</sup> compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02234","","","0.71073","MoKα","","0.0399","0.0303","","","0.0805","0.0859","","","","","","1.035","","","","has coordinates","251365","2020-10-21","18:00:00",""
"4134856","11.549","0.002","14.169","0.007","21.429","0.004","73.816","0.01","89.477","0.015","88.83","0.03","3366.9","1.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 Cu N -","- C42 H46 Cu N -","- C168 H184 Cu4 N4 -","4","2","","Gernert, Markus; Balles-Wolf, Lukas; Kerner, Florian; M Uuml Ller, Ulrich; Schmiedel, Alexander; Holzapfel, Marco; Marian, Christel M.; Pflaum, Jens; Lambert, Christoph; Steffen, Andreas","Cyclic (amino)(aryl)carbenes (CAArCs) enter the field of chromophore ligands - Expanded π system leads to unusually deep red emitting Cu<sup>I</sup> compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02234","","","0.71073","MoKα","","0.0644","0.0452","","","0.1065","0.1185","","","","","","1.051","","","","has coordinates","251366","2020-10-21","18:00:00",""
"4134857","23.615","0.011","10.033","0.003","14.816","0.003","90","","90","","90","","3510","2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H46 Cu N O3 -","- C41 H46 Cu N O3 -","- C164 H184 Cu4 N4 O12 -","4","1","","Gernert, Markus; Balles-Wolf, Lukas; Kerner, Florian; M Uuml Ller, Ulrich; Schmiedel, Alexander; Holzapfel, Marco; Marian, Christel M.; Pflaum, Jens; Lambert, Christoph; Steffen, Andreas","Cyclic (amino)(aryl)carbenes (CAArCs) enter the field of chromophore ligands - Expanded π system leads to unusually deep red emitting Cu<sup>I</sup> compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02234","","","0.71073","MoKα","","0.0455","0.0372","","","0.0843","0.088","","","","","","1.049","","","","has coordinates","251367","2020-10-21","18:00:00",""
"4134858","14.836","0.005","12.399","0.005","18.325","0.008","90","","98.24","0.02","90","","3336","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H39 Cu N2 -","- C44 H39 Cu N2 -","- C176 H156 Cu4 N8 -","4","1","","Gernert, Markus; Balles-Wolf, Lukas; Kerner, Florian; M Uuml Ller, Ulrich; Schmiedel, Alexander; Holzapfel, Marco; Marian, Christel M.; Pflaum, Jens; Lambert, Christoph; Steffen, Andreas","Cyclic (amino)(aryl)carbenes (CAArCs) enter the field of chromophore ligands - Expanded π system leads to unusually deep red emitting Cu<sup>I</sup> compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02234","","","0.71073","MoKα","","0.0554","0.0413","","","0.105","0.1131","","","","","","1.036","","","","has coordinates","251368","2020-10-21","18:00:00",""
"4134859","10.565","0.007","10.704","0.006","12.752","0.007","92.177","0.01","95.452","0.01","116.018","0.018","1285","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H31 Br Cu N -","- C32 H31 Br Cu N -","- C64 H62 Br2 Cu2 N2 -","2","1","","Gernert, Markus; Balles-Wolf, Lukas; Kerner, Florian; M Uuml Ller, Ulrich; Schmiedel, Alexander; Holzapfel, Marco; Marian, Christel M.; Pflaum, Jens; Lambert, Christoph; Steffen, Andreas","Cyclic (amino)(aryl)carbenes (CAArCs) enter the field of chromophore ligands - Expanded π system leads to unusually deep red emitting Cu<sup>I</sup> compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02234","","","0.71073","MoKα","","0.0611","0.0391","","","0.0926","0.1017","","","","","","1.03","","","","has coordinates","251369","2020-10-21","18:00:00",""
"4134860","9.793","0.005","10.8202","0.0016","18.064","0.003","97.741","0.011","97.949","0.007","105.42","0.03","1797.8","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H42 Cu N O2 -","- C47 H42 Cu N O2 -","- C94 H84 Cu2 N2 O4 -","2","1","","Gernert, Markus; Balles-Wolf, Lukas; Kerner, Florian; M Uuml Ller, Ulrich; Schmiedel, Alexander; Holzapfel, Marco; Marian, Christel M.; Pflaum, Jens; Lambert, Christoph; Steffen, Andreas","Cyclic (amino)(aryl)carbenes (CAArCs) enter the field of chromophore ligands - Expanded π system leads to unusually deep red emitting Cu<sup>I</sup> compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02234","","","0.71073","MoKα","","0.0456","0.0342","","","0.0789","0.0839","","","","","","1.027","","","","has coordinates","251370","2020-10-21","18:00:00",""
"4134861","12.0826","0.0002","11.9195","0.0002","16.5709","0.0003","90","","90","","90","","2386.52","0.07","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","Mn156Si36Nx","","","- Mn38.869 N0.841 Si9.131 -","- Mn38.869 N0.84 Si9.131 -","- Mn155.476 N3.36 Si36.524 -","4","0.5","","Peterson, Gordon G. C.; Berns, Veronica M.; Fredrickson, Daniel C.","Mn39Si9Nx: Epitaxial Stabilization as a Pathway to the Formation of Intermetallic Nitrides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01716","","x-ray","0.71073","MoKα","","0.0839","0.0311","","","0.0569","0.0798","","","","0.96","0.96","1","","","","has coordinates","251371","2020-10-21","18:00:00",""
"4134862","19.8814","0.0014","5.9438","0.0004","21.4591","0.0015","90","","90","","90","","2535.8","0.3","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","wcp-8-165","","- C15 H18 O4 -","- C15 H18 O4 -","- C120 H144 O32 -","8","2","","Wang, Chengpeng; Naren, Nevin A.; Zheng, Pengfei; Dong, Guangbin","Intramolecular β-Alkenylation of Cyclohexanones via Pd-Catalyzed Desaturation-Mediated C(sp3)-H/Alkyne Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02654","","","0.71073","MoKα","","0.1168","0.0779","","","0.1224","0.1333","","","","","","1.164","","","","has coordinates","251372","2020-10-21","18:00:00",""
"4134863","7.604","0.0004","20.0492","0.0008","12.5383","0.0006","90","","97.511","0.001","90","","1895.11","0.15","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N4 O5 -","- C21 H20 N4 O5 -","- C84 H80 N16 O20 -","4","1","","Wang, Chengpeng; Naren, Nevin A.; Zheng, Pengfei; Dong, Guangbin","Intramolecular β-Alkenylation of Cyclohexanones via Pd-Catalyzed Desaturation-Mediated C(sp3)-H/Alkyne Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02654","","x-ray","0.71073","MoKα","","0.0782","0.0485","","","0.1082","0.1197","","","","","","1.025","","","","has coordinates","251373","2020-10-21","18:00:00",""
"4134864","12.714","0.003","7.5056","0.0016","13.686","0.003","90","","90.064","0.007","90","","1306","0.5","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Hwang, Yeongyu; Jung, Hoimin; Lee, Euijae; Kim, Dongwook; Chang, Sukbok","Quantitative Analysis on Two-Point Ligand Modulation of Iridium Catalysts for Chemodivergent C-H Amidation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02079","","","0.71073","MoKα","","0.1041","0.0784","","","0.1392","0.1483","","","","","","1.115","","","","has coordinates","251374","2020-10-21","18:00:00",""
"4134865","6.159","0.0012","8.188","0.0016","18.031","0.004","98.91","0.03","91.7","0.03","105.15","0.03","864.8","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cl Ir N2 O3 -","- C18 H18 Cl Ir N2 O3 -","- C36 H36 Cl2 Ir2 N4 O6 -","2","1","","Hwang, Yeongyu; Jung, Hoimin; Lee, Euijae; Kim, Dongwook; Chang, Sukbok","Quantitative Analysis on Two-Point Ligand Modulation of Iridium Catalysts for Chemodivergent C-H Amidation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02079","","","0.65","synchrotron","","0.0342","0.0329","","","0.0888","0.0894","","","","","","1.13","","","","has coordinates","251375","2020-10-21","18:00:00",""
"4134866","16.063","0.003","9.074","0.0018","24.195","0.005","90","","90","","90","","3526.6","1.2","223","2","223","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H11 N O -","- C11 H11 N O -","- C176 H176 N16 O16 -","16","4","","Hwang, Yeongyu; Jung, Hoimin; Lee, Euijae; Kim, Dongwook; Chang, Sukbok","Quantitative Analysis on Two-Point Ligand Modulation of Iridium Catalysts for Chemodivergent C-H Amidation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02079","","","0.8","synchrotron","","0.1087","0.0598","","","0.1241","0.1464","","","","","","0.988","","","","has coordinates,has disorder","251376","2020-10-21","18:00:00",""
"4134867","7.571","0.0015","14.723","0.003","23.143","0.005","90","","90","","90","","2579.7","0.9","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 Cl I2 Ir N O -","- C24 H29 Cl I2 Ir N O -","- C96 H116 Cl4 I8 Ir4 N4 O4 -","4","1","","Hwang, Yeongyu; Jung, Hoimin; Lee, Euijae; Kim, Dongwook; Chang, Sukbok","Quantitative Analysis on Two-Point Ligand Modulation of Iridium Catalysts for Chemodivergent C-H Amidation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02079","","","0.65","synchrotron","","0.0233","0.0214","","","0.0509","0.0514","","","","","","1.006","","","","has coordinates","251377","2020-10-21","18:00:00",""
"4134868","20.4511","0.0003","20.4511","0.0003","25.0437","0.0007","90","","90","","120","","9071.2","0.3","253","2","253","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C64 H128 La4 N32 O80 Rb4 -","- C68 H40 La4 N28 O79.9992 Rb4 -","- C204 H120 La12 N84 O239.998 Rb12 -","3","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0923","0.0878","","","0.1714","0.1732","","","","","","1.144","","","","has coordinates,has disorder","252617","2020-10-21","18:00:00",""
"4134869","14.502","","14.502","","14.502","","90","","90","","90","","3049.89","","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C16 H34 La N8 O20 Rb -","- C17 H13.9999 La N7 O19.9998 Rb -","- C68 H55.9996 La4 N28 O79.9992 Rb4 -","4","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0604","0.0537","","","0.1398","0.1426","","","","","","1.231","","","","has coordinates","252617","2020-10-21","18:00:00",""
"4134870","14.549","","14.549","","14.549","","90","","90","","90","","3079.64","","350","2","350","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C16 H34 La N8 O20 Rb -","- C17 H13.9999 La N7 O19.9998 Rb -","- C68 H55.9996 La4 N28 O79.9992 Rb4 -","4","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0616","0.0535","","","0.1382","0.1417","","","","","","1.107","","","","has coordinates","252617","2020-10-21","18:00:00",""
"4134871","20.5225","0.0005","20.5225","0.0005","25.052","0.0007","90","","90","","120","","9137.6","0.4","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C64 H128 La4 N33.33 O80 -","- C68 H40 La4 N32 O79.9992 -","- C204 H120 La12 N96 O239.998 -","3","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0789","0.0729","","","0.1843","0.1867","","","","","","1.583","","","","has coordinates","252617","2020-10-21","18:00:00",""
"4134872","14.5479","0.0001","14.5479","0.0001","14.5479","0.0001","90","","90","","90","","3078.94","0.04","353","2","353","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C16 H36 La N9 O20 -","- C14 H13 La N8 O19.9998 -","- C56 H52 La4 N32 O79.9992 -","4","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0558","0.0489","","","0.1298","0.1355","","","","","","1.088","","","","has coordinates","252617","2020-10-21","18:00:00",""
"4134873","11.3777","0.0002","6.86536","0.0001","11.42344","0.00018","90","","104.831","0.0017","90","","862.58","0.02","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H19 Br Cl F2 N O -","- C17 H19 Br Cl F2 N O -","- C34 H38 Br2 Cl2 F4 N2 O2 -","2","1","","Miller, Edward; Kim, Suhong; Gibson, Katarina; Derrick, Jeffrey S.; Toste, F. Dean","Regio- and Enantioselective Bromocyclization of Difluoroalkenes as a Strategy to Access Tetrasubstituted Difluoromethylene-Containing Stereocenters.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02331","","x-ray","1.54184","CuKα","","0.0545","0.0531","","","0.1528","0.1551","","","","","","1.168","","","","has coordinates","251379","2020-10-21","18:00:00",""
"4134874","18.0955","0.0002","18.0955","0.0002","10.6307","0.0001","90","","90","","120","","3014.63","0.05","100","2","100","2","","","","","","","","7","P 62","P 62","171","","","","- C14 H12 Br Cl F2 N4 O3 -","- C20 H20 Br Cl F2 N O1.77 -","- C120 H120 Br6 Cl6 F12 N6 O10.62 -","6","1","","Miller, Edward; Kim, Suhong; Gibson, Katarina; Derrick, Jeffrey S.; Toste, F. Dean","Regio- and Enantioselective Bromocyclization of Difluoroalkenes as a Strategy to Access Tetrasubstituted Difluoromethylene-Containing Stereocenters.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02331","","x-ray","1.54184","CuKα","","0.1111","0.1093","","","0.356","0.3658","","","","","","1.85","","","","has coordinates,has disorder","251380","2020-10-21","18:00:00",""
"4134875","8.5167","0.0002","18.5743","0.0004","13.0021","0.0002","90","","105.163","0.001","90","","1985.22","0.07","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 N O8 -","- C19 H29 N O8 -","- C76 H116 N4 O32 -","4","2","","McClymont, Kyle S.; Wang, Feng-Yuan; Minakar, Amin; Baran, Phil S.","Total Synthesis of (-)-Maximiscin.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03202","","x-ray","1.54178","CuKα","","0.0255","0.0253","","","0.0683","0.0685","","","","","","1.053","","","","has coordinates","251409","2020-10-21","18:00:00",""
"4134876","11.707","0.002","19.744","0.004","11.109","0.002","90","","117.839","0.004","90","","2270.6","0.7","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 N3 O2 Pt -","- C25 H31 N3 O2 Pt -","- C100 H124 N12 O8 Pt4 -","4","1","","McClymont, Kyle S.; Wang, Feng-Yuan; Minakar, Amin; Baran, Phil S.","Total Synthesis of (-)-Maximiscin.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03202","","x-ray","0.71073","MoKα","","0.0552","0.0361","","","0.06","0.0643","","","","","","1.054","","","","has coordinates","251410","2020-10-21","18:00:00",""
"4134877","9.3492","0.0001","9.3492","0.0001","13.5555","0.0002","90","","90","","120","","1026.11","0.02","100","","100","","","","","","","","","3","P 31","P 31","144","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C39 H60 O12 -","3","1","","McClymont, Kyle S.; Wang, Feng-Yuan; Minakar, Amin; Baran, Phil S.","Total Synthesis of (-)-Maximiscin.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03202","","","1.54178","CuKα","","0.0256","0.0253","","","0.0665","0.067","","","","","","1.065","","","","has coordinates","251411","2020-10-21","18:00:00",""
"4134878","9.8361","0.0002","21.0549","0.0004","13.1959","0.0002","90","","97.5578","0.0009","90","","2709.1","0.09","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H32 B N O4 -","- C30 H32 B N O4 -","- C120 H128 B4 N4 O16 -","4","2","","Li, Xiangyu; Hall, Dennis G.","Stereodivergent Asymmetric Synthesis of α,β-Disubstituted β-Aminoalkylboronic Acid Derivatives via Group-Selective Protodeboronation Enabling Access to the Elusive Anti Isomer.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03207","","","1.54178","CuKα","","0.0623","0.059","","","0.1706","0.176","","","","","","1.04","","","","has coordinates,has disorder","251503","2020-10-21","18:00:00",""
"4134879","12.652","0.006","17.037","0.01","16.19","0.009","90","","112.834","0.011","90","","3216","3","338","2","338","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 D2 F12 N6 O8 S4 -","- C16 H24 D2 F12 N6 O8 S4 -","- C64 H96 D8 F48 N24 O32 S16 -","4","1","","Song, Xian-Jiang; Zhang, Zhi-Xu; Chen, Xiao-Gang; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Bistable State of Protons for Low-Voltage Memories.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02924","","","0.71073","MoKα","","0.194","0.1479","","","0.4149","0.4492","","","","","","1.161","","","","has coordinates","251504","2020-10-21","18:00:00",""
"4134880","12.606","0.004","16.924","0.005","16.08","0.005","90","","112.775","0.005","90","","3163.1","1.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 F12 N6 O8 S4 -","- C16 H26 F12 N6 O8 S4 -","- C64 H104 F48 N24 O32 S16 -","4","1","","Song, Xian-Jiang; Zhang, Zhi-Xu; Chen, Xiao-Gang; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Bistable State of Protons for Low-Voltage Memories.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02924","","","0.71073","MoKα","","0.098","0.0798","","","0.1763","0.1868","","","","","","1.069","","","","has coordinates","251505","2020-10-21","18:00:00",""
"4134881","12.5","0.005","16.911","0.007","15.921","0.007","90","","112.905","0.005","90","","3100","2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H13 F6 N3 O4 S2 -","- C8 H13 F6 N3 O4 S2 -","- C64 H104 F48 N24 O32 S16 -","8","4","","Song, Xian-Jiang; Zhang, Zhi-Xu; Chen, Xiao-Gang; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Bistable State of Protons for Low-Voltage Memories.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02924","","","0.71073","MoKα","","0.0739","0.0646","","","0.1597","0.1669","","","","","","1.042","","","","has coordinates","251506","2020-10-21","18:00:00",""
"4134882","12.542","0.004","16.952","0.006","15.994","0.005","90","","113.037","0.004","90","","3129.3","1.8","243","2","243","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C8 H12 D F6 N3 O4 S2 -","- C8 H12 D F6 N3 O4 S2 -","- C64 H96 D8 F48 N24 O32 S16 -","8","4","","Song, Xian-Jiang; Zhang, Zhi-Xu; Chen, Xiao-Gang; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Bistable State of Protons for Low-Voltage Memories.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02924","","","0.71073","MoKα","","0.1411","0.091","","","0.2375","0.2689","","","","","","0.917","","","","has coordinates","251507","2020-10-21","18:00:00",""
"4134883","31.9312","0.0017","11.0163","0.0006","15.5333","0.001","90","","97.144","0.002","90","","5421.6","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H45 Al Br N O Si2 -","- C23 H45 Al Br N O Si2 -","- C184 H360 Al8 Br8 N8 O8 Si16 -","8","1","","Koshino, Kota; Kinjo, Rei","Construction of σ-aromatic AlB2 ring via A Borane Coupling with A Dicoordinate Cyclic (Alkyl)(Amino)Aluminyl Anion.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03179","","","0.71073","MoKα","","0.0895","0.0529","","","0.1057","0.1185","","","","","","1.053","","","","has coordinates","251754","2020-10-21","18:00:00",""
"4134884","11.3322","0.001","15.847","0.0014","16.6312","0.0015","88.823","0.002","71.777","0.002","73.126","0.002","2706.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H81 Al K N O8 Si2 -","- C53 H81 Al K N O8 Si2 -","- C106 H162 Al2 K2 N2 O16 Si4 -","2","1","","Koshino, Kota; Kinjo, Rei","Construction of σ-aromatic AlB2 ring via A Borane Coupling with A Dicoordinate Cyclic (Alkyl)(Amino)Aluminyl Anion.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03179","","","0.71073","MoKα","","0.1871","0.0641","","","0.0548","0.0686","","","","","","1.057","","","","has coordinates,has disorder","251755","2020-10-21","18:00:00",""
"4134885","12.1403","0.0006","12.5843","0.0007","16.9735","0.0008","82.54","0.002","77.864","0.002","63.527","0.002","2267.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.5 H74 Al2 N2 Si4 -","- C41.5 H74 Al2 N2 Si4 -","- C83 H148 Al4 N4 Si8 -","2","1","","Koshino, Kota; Kinjo, Rei","Construction of σ-aromatic AlB2 ring via A Borane Coupling with A Dicoordinate Cyclic (Alkyl)(Amino)Aluminyl Anion.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03179","","","0.71073","MoKα","","0.0951","0.0459","","","0.0847","0.0986","","","","","","0.997","","","","has coordinates,has disorder","251756","2020-10-21","18:00:00",""
"4134886","15.8845","0.0006","19.0232","0.0007","28.713","0.0012","90","","90","","90","","8676.3","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H70 Al K N2 O8 Si2 -","- C35 H70 Al K N2 O8 Si2 -","- C280 H560 Al8 K8 N16 O64 Si16 -","8","2","","Koshino, Kota; Kinjo, Rei","Construction of σ-aromatic AlB2 ring via A Borane Coupling with A Dicoordinate Cyclic (Alkyl)(Amino)Aluminyl Anion.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03179","","","0.71073","MoKα","","0.098","0.0691","","","0.1712","0.1875","","","","","","1.043","","","","has coordinates,has disorder","251757","2020-10-21","18:00:00",""
"4134887","12.363","0.008","17.201","0.011","21.419","0.011","90","","90","","90","","4555","5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H73 Al B2 K N O8 Si2 -","- C35 H73 Al B2 K N O8 Si2 -","- C140 H292 Al4 B8 K4 N4 O32 Si8 -","4","1","","Koshino, Kota; Kinjo, Rei","Construction of σ-aromatic AlB2 ring via A Borane Coupling with A Dicoordinate Cyclic (Alkyl)(Amino)Aluminyl Anion.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03179","","","0.71073","MoKα","","0.0904","0.0537","","","0.0983","0.1109","","","","","","1.002","","","","has coordinates,has disorder","251758","2020-10-21","18:00:00",""
"4134888","13.286","0.011","13.384","0.011","14.255","0.012","93.101","0.018","97.062","0.015","91.57","0.03","2510","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H74 Al K N O8 Si3 -","- C41 H75 Al K N O8 Si3 -","- C82 H150 Al2 K2 N2 O16 Si6 -","2","1","","Koshino, Kota; Kinjo, Rei","Construction of σ-aromatic AlB2 ring via A Borane Coupling with A Dicoordinate Cyclic (Alkyl)(Amino)Aluminyl Anion.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03179","","","0.71073","MoKα","","0.1794","0.0666","","","0.0895","0.1175","","","","","","1","","","","has coordinates,has disorder","251759","2020-10-21","18:00:00",""
"4134889","11.3793","0.0006","13.5186","0.0005","27.8039","0.0014","90","","98.587","0.002","90","","4229.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H67 Al K N O8 Si2 -","- C35 H67 Al K N O8 Si2 -","- C140 H268 Al4 K4 N4 O32 Si8 -","4","1","","Koshino, Kota; Kinjo, Rei","Construction of σ-aromatic AlB2 ring via A Borane Coupling with A Dicoordinate Cyclic (Alkyl)(Amino)Aluminyl Anion.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03179","","","0.71073","MoKα","","0.1381","0.058","","","0.1056","0.1331","","","","","","1.004","","","","has coordinates,has disorder","251760","2020-10-21","18:00:00",""
"4134890","8.0268","0.0002","23.535","0.0006","16.7335","0.0005","90","","97.682","0.003","90","","3132.77","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 Bi N2 O10 -","- C32 H30 Bi N2 O10 -","- C128 H120 Bi4 N8 O40 -","4","1","","Amombo Noa, Francoise M.; Svensson Grape, Erik; Brülls, Steffen M; Cheung, Ocean; Malmberg, Per; Inge, A. Ken; McKenzie, Christine J.; Mårtensson, Jerker; Ohrstrom, Lars","Metal-Organic Frameworks with Hexakis(4-carboxyphenyl)benzene - Extensions to Reticular Chemistry and Introducing Foldable Nets.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02984","","","0.71073","MoKα","","0.0838","0.0491","","","0.0964","0.113","","","","","","1.058","","","","has coordinates","251761","2020-10-21","18:00:00",""
"4134891","7.9251","0.0009","12.738","0.0014","16.6928","0.0019","74.195","0.003","86.514","0.003","82.047","0.003","1605.4","0.3","206","2","206","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H31 Cu N2 O10 -","- C32 H31 Cu N2 O10 -","- C64 H62 Cu2 N4 O20 -","2","1","","Amombo Noa, Francoise M.; Svensson Grape, Erik; Brülls, Steffen M; Cheung, Ocean; Malmberg, Per; Inge, A. Ken; McKenzie, Christine J.; Mårtensson, Jerker; Ohrstrom, Lars","Metal-Organic Frameworks with Hexakis(4-carboxyphenyl)benzene - Extensions to Reticular Chemistry and Introducing Foldable Nets.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02984","","","0.71073","MoKα","","0.0895","0.0773","","","0.2033","0.2086","","","","","","1.18","","","","has coordinates,has disorder","251762","2020-10-21","18:00:00",""
"4134892","16.696","0.004","21.624","0.005","16.696","0.004","90","","120","","90","","5220","2","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C120 H112 Fe4 N4 O24 -","- C120 H112 Fe4 N4 O24 -","- C240 H224 Fe8 N8 O48 -","2","1","","Amombo Noa, Francoise M.; Svensson Grape, Erik; Brülls, Steffen M; Cheung, Ocean; Malmberg, Per; Inge, A. Ken; McKenzie, Christine J.; Mårtensson, Jerker; Ohrstrom, Lars","Metal-Organic Frameworks with Hexakis(4-carboxyphenyl)benzene - Extensions to Reticular Chemistry and Introducing Foldable Nets.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02984","","","0.71073","MoKα","","0.2383","0.1765","","","0.3935","0.4497","","","","","","1.285","","","","has coordinates","251763","2020-10-21","18:00:00",""
"4134893","29.1139","0.0009","16.3925","0.0005","11.4361","0.0003","90","","99.919","0.002","90","","5376.3","0.3","100.01","0.17","100.01","0.17","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H44 N2 O14 Zn2 -","- C52 H44 N2 O14 Zn2 -","- C208 H176 N8 O56 Zn8 -","4","0.5","","Amombo Noa, Francoise M.; Svensson Grape, Erik; Brülls, Steffen M; Cheung, Ocean; Malmberg, Per; Inge, A. Ken; McKenzie, Christine J.; Mårtensson, Jerker; Ohrstrom, Lars","Metal-Organic Frameworks with Hexakis(4-carboxyphenyl)benzene - Extensions to Reticular Chemistry and Introducing Foldable Nets.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02984","","x-ray","1.54184","CuKα","","0.0483","0.0463","","","0.1532","0.156","","","","","","1.144","","","","has coordinates,has disorder","251764","2020-10-21","18:00:00",""
"4134894","12.8598","0.0008","29.261","0.0014","13.8247","0.0007","90","","103.98","0.006","90","","5048","0.5","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C26 H20 Cu N O6 -","- C26 H20 Cu N O6 -","- C208 H160 Cu8 N8 O48 -","8","1","","Amombo Noa, Francoise M.; Svensson Grape, Erik; Brülls, Steffen M; Cheung, Ocean; Malmberg, Per; Inge, A. Ken; McKenzie, Christine J.; Mårtensson, Jerker; Ohrstrom, Lars","Metal-Organic Frameworks with Hexakis(4-carboxyphenyl)benzene - Extensions to Reticular Chemistry and Introducing Foldable Nets.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02984","","","1.54184","CuKα","","0.1225","0.1199","","","0.3179","0.3203","","","","","","1.09","","","","has coordinates","251765","2020-10-21","18:00:00",""
"4134895","29.1661","0.0014","16.1141","0.0007","13.9552","0.0006","90","","98.847","0.001","90","","6480.7","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C64 H58 Fe4 N4 O20 -","- C64 H58 Fe4 N4 O20 -","- C256 H232 Fe16 N16 O80 -","4","1","","Amombo Noa, Francoise M.; Svensson Grape, Erik; Brülls, Steffen M; Cheung, Ocean; Malmberg, Per; Inge, A. Ken; McKenzie, Christine J.; Mårtensson, Jerker; Ohrstrom, Lars","Metal-Organic Frameworks with Hexakis(4-carboxyphenyl)benzene - Extensions to Reticular Chemistry and Introducing Foldable Nets.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02984","","","0.71073","MoKα","","0.0626","0.0416","","","0.0966","0.1051","","","","","","1.075","","","","has coordinates","251766","2020-10-21","18:00:00",""
"4134896","29.075","0.006","16.016","0.004","13.826","0.003","90","","98.39","0.005","90","","6369","2","297","2","297","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C64 H58 Co4 N4 O20 -","- C64 H58 Co4 N4 O20 -","- C256 H232 Co16 N16 O80 -","4","1","","Amombo Noa, Francoise M.; Svensson Grape, Erik; Brülls, Steffen M; Cheung, Ocean; Malmberg, Per; Inge, A. Ken; McKenzie, Christine J.; Mårtensson, Jerker; Ohrstrom, Lars","Metal-Organic Frameworks with Hexakis(4-carboxyphenyl)benzene - Extensions to Reticular Chemistry and Introducing Foldable Nets.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02984","","","0.71073","MoKα","","0.2717","0.1667","","","0.3598","0.4025","","","","","","1.107","","","","has coordinates","251767","2020-10-21","18:00:00",""
"4134897","16.5927","0.0019","16.5927","0.0019","22.318","0.005","90","","90","","90","","6144.5","1.7","100","2","100","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C12 H6 N1.5 O2 Pd0.25 Zn0.5 -","- C12 H6 N1.5 O2 Pd0.25 Zn0.5 -","- C48 H24 N6 O8 Pd Zn2 -","4","0.25","","Danowski, Wojciech; Castiglioni, Fabio; Sardjan, Andy; Krause, Simon; Pfeifer, Lukas; Roke, Diederik; Comotti, Angiolina; Browne, Wesley R.; Feringa, Ben L.","Visible Light Driven Rotation of Molecular Motors in a Dual-Function Metal Organic Framework Enabled by Energy Transfer.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03063","","","1.54178","CuKα","","0.159","0.1238","","","0.3295","0.3715","","","","","","1.052","","","","has coordinates","251768","2020-10-21","18:00:00",""
"4134898","16.6421","0.0008","16.6421","0.0008","16.1146","0.0015","90","","90","","90","","4463.1","0.5","100","2","100","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C48 H24 N6 O8 Pd Zn2 -","- C48 H24 N6 O8 Pd Zn2 -","- C48 H24 N6 O8 Pd Zn2 -","1","0.0625","","Danowski, Wojciech; Castiglioni, Fabio; Sardjan, Andy; Krause, Simon; Pfeifer, Lukas; Roke, Diederik; Comotti, Angiolina; Browne, Wesley R.; Feringa, Ben L.","Visible Light Driven Rotation of Molecular Motors in a Dual-Function Metal Organic Framework Enabled by Energy Transfer.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03063","","","1.54178","CuKα","","0.0747","0.0625","","","0.1752","0.185","","","","","","1.06","","","","has coordinates","251769","2020-10-21","18:00:00",""
"4134899","7.8815","0.0011","15.761","0.002","33.58","0.005","90","","93.75","0.004","90","","4162.4","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N4 O6 Pd0.5 Zn -","- C36 H24 N4 O6 Pd0.5 Zn -","- C144 H96 N16 O24 Pd2 Zn4 -","4","1","","Danowski, Wojciech; Castiglioni, Fabio; Sardjan, Andy; Krause, Simon; Pfeifer, Lukas; Roke, Diederik; Comotti, Angiolina; Browne, Wesley R.; Feringa, Ben L.","Visible Light Driven Rotation of Molecular Motors in a Dual-Function Metal Organic Framework Enabled by Energy Transfer.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03063","","","1.54178","CuKα","","0.0917","0.0553","","","0.1153","0.1251","","","","","","1.04","","","","has coordinates,has disorder","251770","2020-10-21","18:00:00",""
"4134900","11.0535","0.0008","13.1232","0.0008","12.7009","0.0009","90","","108.368","0.002","90","","1748.5","0.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 F6 I O2 -","- C16 H17 F6 I O2 -","- C64 H68 F24 I4 O8 -","4","1","","Ding, Wei; Chai, Jinkui; Wang, Chen; Wu, Junliang; Yoshikai, Naohiko","Stereoselective Access to Highly Substituted Vinyl Ethers via <i>trans</i>-Difunctionalization of Alkynes with Alcohols and Iodine(III) Electrophile.","Journal of the American Chemical Society","2020","142","19","8619","8624","10.1021/jacs.0c04140","","","0.71073","MoKα","","0.0544","0.0378","","","0.0749","0.09","","","","","","1.298","","","","has coordinates","252607","2020-10-21","18:00:00",""
"4134901","16.2807","0.0004","12.2181","0.0002","21.3944","0.0004","90","","90","","90","","4255.76","0.15","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18.5 H14 Cl F6 I O2 -","- C18.501 H14.002 Cl1.002 F6 I O2 -","- C148.008 H112.016 Cl8.016 F48 I8 O16 -","8","2","","Ding, Wei; Chai, Jinkui; Wang, Chen; Wu, Junliang; Yoshikai, Naohiko","Stereoselective Access to Highly Substituted Vinyl Ethers via <i>trans</i>-Difunctionalization of Alkynes with Alcohols and Iodine(III) Electrophile.","Journal of the American Chemical Society","2020","142","19","8619","8624","10.1021/jacs.0c04140","","","0.71073","MoKα","","0.1518","0.088","","","0.1499","0.174","","","","","","1.104","","","","has coordinates,has disorder","252607","2020-10-21","18:00:00",""
"4134902","7.442","0.0003","11.8848","0.0005","12.5542","0.0005","116.944","0.0013","95.0969","0.0014","102.62","0.0015","943.14","0.07","174","2","174","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 F6 I O2 Si -","- C15 H17 F6 I O2 Si -","- C30 H34 F12 I2 O4 Si2 -","2","1","","Ding, Wei; Chai, Jinkui; Wang, Chen; Wu, Junliang; Yoshikai, Naohiko","Stereoselective Access to Highly Substituted Vinyl Ethers via <i>trans</i>-Difunctionalization of Alkynes with Alcohols and Iodine(III) Electrophile.","Journal of the American Chemical Society","2020","142","19","8619","8624","10.1021/jacs.0c04140","","","0.71073","MoKα","","0.0411","0.0302","","","0.0512","0.0556","","","","","","1.064","","","","has coordinates","252607","2020-10-21","18:00:00",""
"4134903","15.095","0.0004","12.5082","0.0003","20.9361","0.0005","90","","105.178","0.0009","90","","3815.08","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 F6 I O2 -","- C19 H15 F6 I O2 -","- C152 H120 F48 I8 O16 -","8","2","","Ding, Wei; Chai, Jinkui; Wang, Chen; Wu, Junliang; Yoshikai, Naohiko","Stereoselective Access to Highly Substituted Vinyl Ethers via <i>trans</i>-Difunctionalization of Alkynes with Alcohols and Iodine(III) Electrophile.","Journal of the American Chemical Society","2020","142","19","8619","8624","10.1021/jacs.0c04140","","","0.71073","MoKα","","0.0632","0.0431","","","0.0606","0.0657","","","","","","1.136","","","","has coordinates","252607","2020-10-21","18:00:00",""
"4134904","8.7791","0.0003","11.6967","0.0004","18.8185","0.0006","82.514","0.003","79.563","0.002","81.077","0.002","1867.02","0.11","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C37 H38 Cl F6 N6 O3 P Ru -","- C37 H38 Cl F6 N6 O3 P Ru -","- C74 H76 Cl2 F12 N12 O6 P2 Ru2 -","2","1","","Gonell, Sergio; Assaf, Eric A.; Duffee, Kyle D.; Schauer, Cynthia K.; Miller, Alexander J. M.","Kinetics of the <i>Trans</i> Effect in Ruthenium Complexes Provide Insight into the Factors That Control Activity and Stability in CO<sub>2</sub> Electroreduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02912","","","1.54178","CuKα","","0.088","0.0692","","","0.1684","0.1793","","","","","","1.059","","","","has coordinates","251776","2020-10-21","18:00:00",""
"4134905","17.6809","0.0003","13.9926","0.0002","30.1337","0.0005","90","","90","","90","","7455.1","0.2","100","2","100.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C32 H31.35 Cl2 F12 N6 O P2 Ru -","- C32 H31.35 Cl2 F12 N6 O P2 Ru -","- C256 H250.8 Cl16 F96 N48 O8 P16 Ru8 -","8","1","","Gonell, Sergio; Assaf, Eric A.; Duffee, Kyle D.; Schauer, Cynthia K.; Miller, Alexander J. M.","Kinetics of the <i>Trans</i> Effect in Ruthenium Complexes Provide Insight into the Factors That Control Activity and Stability in CO<sub>2</sub> Electroreduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02912","","","1.54178","CuKα","","0.0842","0.0698","","","0.1434","0.1487","","","","","","1.206","","","","has coordinates,has disorder","251777","2020-10-21","18:00:00",""
"4134906","11.039","0.0002","24.302","0.0005","13.6393","0.0003","90","","98.537","0.001","90","","3618.47","0.13","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 F12 N6 O P2 Ru -","- C36 H28 F12 N6 O P2 Ru -","- C144 H112 F48 N24 O4 P8 Ru4 -","4","1","","Gonell, Sergio; Assaf, Eric A.; Duffee, Kyle D.; Schauer, Cynthia K.; Miller, Alexander J. M.","Kinetics of the <i>Trans</i> Effect in Ruthenium Complexes Provide Insight into the Factors That Control Activity and Stability in CO<sub>2</sub> Electroreduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02912","","","1.54178","CuKα","","0.0345","0.0303","","","0.0714","0.0736","","","","","","1.043","","","","has coordinates,has disorder","251778","2020-10-21","18:00:00",""
"4134907","24.8897","0.0002","50.19","0.0003","90.1828","0.0004","90","","90","","90","","112658","1.2","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C438 H420 Cd6 F36 N60 O60 S12 -","- C433.71 H420 Cd6 F23.13 N60 O47.13 S7.71 -","- C3469.68 H3360 Cd48 F185.04 N480 O377.04 S61.68 -","8","1","","Zhang, Dawei; Ronson, Tanya K.; Xu, Lin; Nitschke, Jonathan R.","Transformation Network Culminating in a Heteroleptic Cd<sub>6</sub>L<sub>6</sub>L'<sub>2</sub> Twisted Trigonal Prism.","Journal of the American Chemical Society","2020","142","20","9152","9157","10.1021/jacs.0c03798","","","0.6889","Synchrotron","","0.1742","0.1488","","","0.3915","0.4093","","","","","","1.172","","","","has coordinates,has disorder","252608","2020-10-21","18:00:00",""
"4134908","22.9361","0.0015","23.5657","0.0015","48.429","0.003","90.316","0.002","93.473","0.002","99.963","0.002","25731","3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C246.5 H171.75 Cd4 F24 N41.25 O36 S8 -","- C245.204 H170.25 Cd4 F20.1135 N41.25 O32.1135 S6.7045 -","- C980.818 H681 Cd16 F80.454 N165 O128.454 S26.818 -","4","2","","Zhang, Dawei; Ronson, Tanya K.; Xu, Lin; Nitschke, Jonathan R.","Transformation Network Culminating in a Heteroleptic Cd<sub>6</sub>L<sub>6</sub>L'<sub>2</sub> Twisted Trigonal Prism.","Journal of the American Chemical Society","2020","142","20","9152","9157","10.1021/jacs.0c03798","","","1.54178","CuKα","","0.1323","0.0948","","","0.2524","0.2837","","","","","","1.007","","","","has coordinates,has disorder","252608","2020-10-21","18:00:00",""
"4134909","18.925","0.004","19.158","0.004","48.752","0.01","90","","93.26","0.03","90","","17647","6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C164 H117 F24 Fe2 N25 O16 S8 -","- C161.946 H117 F17.838 Fe2 N23.968 O11.892 S5.946 -","- C647.784 H468 F71.352 Fe8 N95.872 O47.568 S23.784 -","4","1","","Zhang, Dawei; Ronson, Tanya K.; Xu, Lin; Nitschke, Jonathan R.","Transformation Network Culminating in a Heteroleptic Cd<sub>6</sub>L<sub>6</sub>L'<sub>2</sub> Twisted Trigonal Prism.","Journal of the American Chemical Society","2020","142","20","9152","9157","10.1021/jacs.0c03798","","","0.6889","Synchrotron","","0.1659","0.1303","","","0.3425","0.3686","","","","","","1.012","","","","has coordinates,has disorder","252608","2020-10-21","18:00:00",""
"4134910","42.315","0.006","42.315","0.006","19.337","0.004","90","","90","","120","","29985","9","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C115.01 H107.4 F12 N12.64 O23.65 Ru4 S4 -","- C115.01 H107.4 F12 N12.64 O23.65 Ru4 S4 -","- C1035.09 H966.6 F108 N113.76 O212.85 Ru36 S36 -","9","1","","Singh, Jatinder; Kim, Dong Hwan; Kim, Eun-Hee; Kim, Hyunuk; Hadiputra, Rizky; Jung, Jaehoon; Chi, Ki-Whan","The first quantitative synthesis of a closed three‒link chain (6<sup>3</sup><sub>1</sub>) using coordination and non-covalent interactions‒driven self‒assembly.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01406","","","0.7","synchrotron","","0.0875","0.0846","","","0.2272","0.2367","","","","","","1.037","","","","has coordinates","251818","2020-10-21","18:00:00",""
"4134911","5.8373","0.0003","8.5386","0.0005","47.775","0.003","90","","90","","90","","2381.2","0.2","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 O3 -","- C29 H32 O3 -","- C116 H128 O12 -","4","1","","Dong, Xiao-Yang; Cheng, Jiang-Tao; Zhang, Yu-Feng; Li, Zhong-Liang; Zhan, Tian-Ya; Chen, Ji-Jun; Wang, Fu-Li; Yang, Ning-Yuan; Ye, Liu; Gu, Qiang-Shuai; Liu, Xin-Yuan","Copper-Catalyzed Asymmetric Radical 1,2-Carboalkynylation of Alkenes with Alkyl Halides and Terminal Alkynes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03130","","x-ray","1.54178","CuKα","","0.0254","0.0253","","","0.0639","0.064","","","","","","1.067","","","","has coordinates","251854","2020-10-21","18:00:00",""
"4134912","8.983","0.0005","12.8241","0.0007","24.4677","0.0016","90","","90","","90","","2818.7","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 Cl N3 O2 S -","- C32 H28 Cl N3 O2 S -","- C128 H112 Cl4 N12 O8 S4 -","4","1","","Whyte, Andrew; Torelli, Alexa; Mirabi, Bijan; Prieto, Liher; Rodríguez, José F; Lautens, Mark","Cobalt-Catalyzed Enantioselective Hydroarylation of 1,6-Enynes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03246","","","0.71073","MoKα","","0.0578","0.0359","","","0.0758","0.0849","","","","","","1.023","","","","has coordinates","251855","2020-10-21","18:00:00",""
"4134913","10.17","0.005","18.68","0.005","10.35","0.005","90","","101.22","0.05","90","","1928.7","1.5","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C17 H15 Cu N3 O5 -","- C17 H15 Cu N3 O5 -","- C68 H60 Cu4 N12 O20 -","4","0.5","","Ortín-Rubio, Borja; Ghasempour, Hosein; Guillerm, Vincent; Morsali, Ali; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-Clipping: An Approach to Deduce the Topology of Metal-Organic Frameworks Built with Zigzag Ligands.","Journal of the American Chemical Society","2020","142","20","9135","9140","10.1021/jacs.0c03404","","","0.82653","synchrotron","","0.0592","0.0566","","","0.1754","0.1785","","","","","","1.125","","","","has coordinates,has disorder","252609","2020-10-21","18:00:00",""
"4134914","17.29","0.005","17.43","0.005","24.11","0.005","90","","91.22","0.05","90","","7264","3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10.5 H6 O4.5 Tb0.75 -","- C10.5 H6 O4.5 Tb0.75 -","- C168 H96 O72 Tb12 -","16","4","","Ortín-Rubio, Borja; Ghasempour, Hosein; Guillerm, Vincent; Morsali, Ali; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-Clipping: An Approach to Deduce the Topology of Metal-Organic Frameworks Built with Zigzag Ligands.","Journal of the American Chemical Society","2020","142","20","9135","9140","10.1021/jacs.0c03404","","","0.82653","synchrotron","","0.044","0.042","","","0.1244","0.1262","","","","","","1.091","","","","has coordinates","252609","2020-10-21","18:00:00",""
"4134915","6.9388","0.0002","15.0508","0.0003","32.586","0.0008","90","","90","","90","","3403.1","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Br Cl N3 O -","- C17 H17 Br Cl N3 O -","- C136 H136 Br8 Cl8 N24 O8 -","8","2","","Strassfeld, Daniel A.; Wickens, Zachary K.; Picazo, Elias; Jacobsen, Eric N.","Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes.","Journal of the American Chemical Society","2020","142","20","9175","9180","10.1021/jacs.0c03991","","","1.54178","CuKα","","0.0585","0.0459","","","0.0949","0.0996","","","","","","1.047","","","","has coordinates","252610","2020-10-21","18:00:00",""
"4134916","7.0227","0.0003","15.3766","0.0006","15.8486","0.0006","90","","99.589","0.003","90","","1687.5","0.12","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H21 Br Cl N3 O -","- C16 H21 Br Cl N3 O -","- C64 H84 Br4 Cl4 N12 O4 -","4","2","","Strassfeld, Daniel A.; Wickens, Zachary K.; Picazo, Elias; Jacobsen, Eric N.","Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes.","Journal of the American Chemical Society","2020","142","20","9175","9180","10.1021/jacs.0c03991","","","1.54178","CuKα","","0.0668","0.0648","","","0.1692","0.1712","","","","","","1.159","","","","has coordinates","252610","2020-10-21","18:00:00",""
"4134917","9.7525","0.0002","10.9189","0.0002","11.7345","0.0002","115.117","0.0011","96.8758","0.0012","106.146","0.0011","1045.39","0.04","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H24 Br F3 O2 Si -","- C19.9995 H24 Br F2.9985 O2 Si -","- C39.999 H48 Br2 F5.997 O4 Si2 -","2","2","","Strassfeld, Daniel A.; Wickens, Zachary K.; Picazo, Elias; Jacobsen, Eric N.","Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes.","Journal of the American Chemical Society","2020","142","20","9175","9180","10.1021/jacs.0c03991","","","0.71073","MoKα","","0.0247","0.0234","","","0.0582","0.0587","","","","","","1.029","","","","has coordinates,has disorder","252610","2020-10-21","18:00:00",""
"4134918","31.216","0.003","8.4388","0.0008","8.5385","0.0008","90","","93.3905","0.0017","90","","2245.3","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H28 Br Cl N3 O1.5 -","- C23 H28 Br Cl N3 O1.5 -","- C92 H112 Br4 Cl4 N12 O6 -","4","1","","Strassfeld, Daniel A.; Wickens, Zachary K.; Picazo, Elias; Jacobsen, Eric N.","Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes.","Journal of the American Chemical Society","2020","142","20","9175","9180","10.1021/jacs.0c03991","","","0.71073","MoKα","","0.0377","0.0327","","","0.0621","0.0636","","","","","","1.042","","","","has coordinates,has disorder","252610","2020-10-21","18:00:00",""
"4134919","21.8423","0.0005","21.8423","0.0005","39.3731","0.0018","90","","90","","90","","18784.4","1.1","291.1","0.1","291.1","0.1","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C55 H33 Co4.5 N4 O17.5 -","- C55 H33 Co4.5 N4 O17.5 -","- C440 H264 Co36 N32 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","0.71","MoKα","","0.1809","0.097","","","0.2283","0.2793","","","","","","0.92","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134920","21.8132","0.0001","21.8132","0.0001","39.0403","0.0009","90","","90","","90","","18576","0.4","273","2","273.15","","","","","","","","","5","P -4 n 2","P -4 -2n","118","","b","","- C54 H32 Co4.5 N5 O17.5 -","- C54 H32 Co4.5 N5 O17.5 -","- C432 H256 Co36 N40 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","","0.71073","MoKα","","0.0878","0.0736","","","0.2146","0.2293","","","","","","1.123","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134921","21.7735","0.0005","21.7735","0.0005","39.2031","0.0016","90","","90","","90","","18585.6","1","294.08","0.17","294.08","0.17","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C52 H30 Co4.5 N7 O17.5 -","- C52 H30 Co4.5 N7 O17.5 -","- C416 H240 Co36 N56 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","0.71073","MoKα","","0.1544","0.0903","","","0.2385","0.2754","","","","","","0.943","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134922","21.8598","0.0003","21.8598","0.0003","39.3559","0.0011","90","","90","","90","","18806.3","0.6","293.6","0.4","293.6","0.4","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C58 H40 Co4.5 N4 O17.5 -","- C58 H40 Co4.5 N4 O17.5 -","- C464 H320 Co36 N32 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","1.54184","CuKα","","0.1795","0.1208","","","0.311","0.3637","","","","","","1.09","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134923","21.8545","0.0003","21.8545","0.0003","39.3775","0.0009","90","","90","","90","","18807.4","0.6","100","0.1","100","0.1","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C55 H23.5 Co4.5 F4 N4 O17.5 -","- C55 H23.5 Co4.5 F4 N4 O17.5 -","- C440 H188 Co36 F32 N32 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","1.54184","CuKα","","0.1564","0.1049","","","0.2766","0.3256","","","","","","1.053","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134924","21.9069","0.0004","21.9069","0.0004","39.6456","0.0013","90","","90","","90","","19026.4","0.8","293.26","0.16","293.26","0.16","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C57 H33 Co4.5 N4 O17.5 -","- C57 H33 Co4.5 N4 O17.5 -","- C456 H264 Co36 N32 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","0.71073","MoKα","","0.1149","0.0922","","","0.2674","0.2939","","","","","","1.059","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134925","21.9081","0.0004","21.9081","0.0004","39.4769","0.0013","90","","90","","90","","18947.5","0.8","294.1","0.6","294.1","0.6","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C55 H31 Br0.5 Co4.5 N4 O17.5 -","- C55 H31 Br0.5 Co4.5 N4 O17.5 -","- C440 H248 Br4 Co36 N32 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","1.54184","CuKα","","0.228","0.1278","","","0.313","0.4049","","","","","","0.999","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134926","21.6973","0.0005","21.6973","0.0005","39.0746","0.0019","90","","90","","90","","18395.3","1.1","292.17","0.1","292.17","0.1","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C55 H34 N4 Ni4.5 O17.5 -","- C55 H33 N4 Ni4.5 O17.5 -","- C440 H264 N32 Ni36 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","1.54184","CuKα","","0.1853","0.0915","","","0.2244","0.2854","","","","","","0.885","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134927","22.596","0.003","15.3727","0.0018","25.369","0.003","90","","116.2","0.001","90","","7906.8","1.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Plutonium(IV) benzoate chain","","","- C84 H60 O24 Pu3 -","- C84 H60 O24 Pu3 -","- C336 H240 O96 Pu12 -","4","1","","Hastings, Ashley; Ray, Debmalya; Jeong, WooSeok; Gagliardi, Laura; Farha, Omar K.; Hixon, Amy E.","Advancement of Actinide Metal-Organic Framework Chemistry via Synthesis of Pu-UiO-66.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01895","","","0.71073","MoKα","","0.0765","0.0451","","","0.094","0.1072","","","","","","1.053","","","","has coordinates,has disorder","251864","2020-10-21","18:00:00",""
"4134928","19.1389","0.0002","10.964","0.0001","7.0851","0.0001","90","","90","","90","","1486.73","0.03","100","2","100","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C21 H15 N3 -","- C21 H15 N3 -","- C84 H60 N12 -","4","0.5","","Torresi, Stefano; Famulari, Antonino; Marti-Rujas, Javier","Kinetically controlled fast crystallization of M12L8 poly-[n]-catenanes using the 2,4,6-tris(4-pyridyl)benzene ligand and ZnCl2 in aromatic environment.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03319","","","0.72931","Synchrotron","","0.041","0.0407","","","0.1148","0.1151","","","","","","1.122","","","","has coordinates","251915","2020-10-21","18:00:00",""
"4134929","7.0496","0.0004","7.3004","0.0004","12.5978","0.0006","95.981","0.001","91.257","0.001","103.049","0.002","627.47","0.06","150","2","150","2","","","","","","","synthesized Dr. Carina Santos Hurtado","5","P -1","-P 1","2","","","","- C12 H7 Cl2 I N2 -","- C12 H7 Cl2 I N2 -","- C24 H14 Cl4 I2 N4 -","2","1","","Santos Hurtado, Carina; Bastien, Guillaume; Mašát, Milan; Stoček, Jakub Radek; Dracinsky, Martin; Rončević, Igor; Císařová, Ivana; Rogers, Charles T.; Kaleta, Jiří","Regular 2-D Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV-vis and NMR Spectroscopy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01753","","","0.71073","MoKα","","0.0174","0.017","","","0.0384","0.0386","","","","","","1.149","","","","has coordinates","251916","2020-10-21","18:00:00",""
"4134930","6.9334","0.0005","20.6646","0.0016","9.3354","0.0007","90","","91.617","0.003","90","","1337.01","0.17","150","2","150","2","","","","","","","synthesized by Dr. Guillaume Bastien","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 F3 Hg O2 -","- C13 H15 F3 Hg O2 -","- C52 H60 F12 Hg4 O8 -","4","1","","Santos Hurtado, Carina; Bastien, Guillaume; Mašát, Milan; Stoček, Jakub Radek; Dracinsky, Martin; Rončević, Igor; Císařová, Ivana; Rogers, Charles T.; Kaleta, Jiří","Regular 2-D Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV-vis and NMR Spectroscopy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01753","","","0.71073","MoKα","","0.0379","0.03","","","0.0658","0.0686","","","","","","1.099","","","","has coordinates","251917","2020-10-21","18:00:00",""
"4134931","16.9364","0.0006","18.8622","0.0006","16.6935","0.0006","90","","90","","90","","5332.9","0.3","120","2","120","2","","","","","","","synthesized by Dr. Guillaume Bastien","4","I b a 2","I 2 -2c","45","","","","- C14 H21 N O -","- C14 H21 N O -","- C224 H336 N16 O16 -","16","2","","Santos Hurtado, Carina; Bastien, Guillaume; Mašát, Milan; Stoček, Jakub Radek; Dracinsky, Martin; Rončević, Igor; Císařová, Ivana; Rogers, Charles T.; Kaleta, Jiří","Regular 2-D Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV-vis and NMR Spectroscopy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01753","","","1.54178","CuKα","","0.0386","0.0367","","","0.0948","0.0964","","","","","","1.056","","","","has coordinates,has disorder","251918","2020-10-21","18:00:00",""
"4134932","7.2162","0.001","7.3078","0.0011","12.8297","0.0015","90","","100.577","0.005","90","","665.07","0.16","150","2","150","2","","","","","","","synthesized by Dr. Carina Santos Hurtado","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Cl4 N2 O2 -","- C12 H6 Cl4 N2 O2 -","- C24 H12 Cl8 N4 O4 -","2","0.5","","Santos Hurtado, Carina; Bastien, Guillaume; Mašát, Milan; Stoček, Jakub Radek; Dracinsky, Martin; Rončević, Igor; Císařová, Ivana; Rogers, Charles T.; Kaleta, Jiří","Regular 2-D Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV-vis and NMR Spectroscopy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01753","","","0.71073","MoKα","","0.0434","0.0311","","","0.0714","0.076","","","","","","1.078","","","","has coordinates","251919","2020-10-21","18:00:00",""
"4134933","19.8411","0.0011","15.7283","0.0009","5.9355","0.0003","90","","90","","90","","1852.27","0.17","120","2","120","2","","","","","","","synthesized by Dr. Guillaume Bastien","4","P n m a","-P 2ac 2n","62","","","","- C20 H25 I N2 -","- C20.5 H25 I N2 -","- C82 H100 I4 N8 -","4","0.5","","Santos Hurtado, Carina; Bastien, Guillaume; Mašát, Milan; Stoček, Jakub Radek; Dracinsky, Martin; Rončević, Igor; Císařová, Ivana; Rogers, Charles T.; Kaleta, Jiří","Regular 2-D Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV-vis and NMR Spectroscopy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01753","","","0.71073","MoKα","","0.0324","0.0273","","","0.0567","0.0588","","","","","","1.113","","","","has coordinates,has disorder","251920","2020-10-21","18:00:00",""
"4134934","6.2193","0.0003","9.1548","0.0006","13.0735","0.0007","108.089","0.002","95.389","0.002","100.572","0.002","686.43","0.07","150","2","150","2","","","","","","","synthesized by Dr. Guillaume Bastien","5","P -1","-P 1","2","","","","- C24 H32 Cl6 N2 O2 -","- C24 H32 Cl6 N2 O2 -","- C24 H32 Cl6 N2 O2 -","1","0.5","","Santos Hurtado, Carina; Bastien, Guillaume; Mašát, Milan; Stoček, Jakub Radek; Dracinsky, Martin; Rončević, Igor; Císařová, Ivana; Rogers, Charles T.; Kaleta, Jiří","Regular 2-D Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV-vis and NMR Spectroscopy.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01753","","","0.71073","MoKα","","0.0401","0.0362","","","0.0965","0.0993","","","","","","1.04","","","","has coordinates","251921","2020-10-21","18:00:00",""
"4134935","6.8955","0.0002","15.5594","0.0004","21.9079","0.0006","90","","90","","90","","2350.5","0.11","100.01","","100.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(5S*,10R*,12R*,14S*)-6-chloro-2-methyl-5,10-dihydro-1H-5,10-[2,3]epoxireno[1,2,4]triazolo[1,2-b]phthalazine-1,3(2H)-dione","","- C13 H10 Cl N3 O3 -","- C13 H10 Cl N3 O3 -","- C104 H80 Cl8 N24 O24 -","8","1","","Siddiqi, Zohaib; Wertjes, William C.; Sarlah, David","Chemical Equivalent of Arene Monooxygenases: Dearomative Synthesis of Arene Oxides and Oxepines.","Journal of the American Chemical Society","2020","142","22","10125","10131","10.1021/jacs.0c02724","","x-ray","0.71073","MoKα","","0.0418","0.0335","","","0.0788","0.0826","","","","","","1.099","","","","has coordinates,has disorder","257115","2020-10-21","18:00:00",""
"4134936","24.6871","0.0011","6.8296","0.0003","21.0493","0.0009","90","","119.699","0.001","90","","3082.8","0.2","99.99","","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(5R*,11S*,12S*,14R*)-4-chloro-8-methyl-2-(trifluoromethyl)-5,11-dihydro-7H-11,5-[2,3]epoxirenopyrido[2,3-d][1,2,4]triazolo[1,2-a]pyridazine-7,9(8H)-dione","","- C13.5 H9 Cl2 F3 N4 O3 -","- C13.5 H9 Cl2 F3 N4 O3 -","- C108 H72 Cl16 F24 N32 O24 -","8","1","","Siddiqi, Zohaib; Wertjes, William C.; Sarlah, David","Chemical Equivalent of Arene Monooxygenases: Dearomative Synthesis of Arene Oxides and Oxepines.","Journal of the American Chemical Society","2020","142","22","10125","10131","10.1021/jacs.0c02724","","x-ray","0.71073","MoKα","","0.0294","0.0283","","","0.073","0.074","","","","","","1.038","","","","has coordinates,has disorder","257115","2020-10-21","18:00:00",""
"4134937","7.8858","0.0002","6.0451","0.0002","8.4347","0.0003","90","","114.305","0.001","90","","366.45","0.02","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","benzo[d]oxepine","","- C10 H8 O -","- C10 H8 O -","- C20 H16 O2 -","2","0.5","","Siddiqi, Zohaib; Wertjes, William C.; Sarlah, David","Chemical Equivalent of Arene Monooxygenases: Dearomative Synthesis of Arene Oxides and Oxepines.","Journal of the American Chemical Society","2020","142","22","10125","10131","10.1021/jacs.0c02724","","x-ray","0.71073","MoKα","","0.043","0.0421","","","0.112","0.1126","","","","","","1.166","","","","has coordinates,has disorder","257115","2020-10-21","18:00:00",""
"4134938","7.5594","0.0007","15.3365","0.0014","7.7117","0.0007","90","","98.206","0.002","90","","884.9","0.14","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1aR*,2S*,8R*,8aS*)-5-methyl-1a,2,8,8a-tetrahydro-4H-2,8-ethenooxireno[2,3-d][1,2,4]triazolo[1,2-a]pyridazine-4,6(5H)-dione","","- C9 H9 N3 O3 -","- C9 H9 N3 O3 -","- C36 H36 N12 O12 -","4","1","","Siddiqi, Zohaib; Wertjes, William C.; Sarlah, David","Chemical Equivalent of Arene Monooxygenases: Dearomative Synthesis of Arene Oxides and Oxepines.","Journal of the American Chemical Society","2020","142","22","10125","10131","10.1021/jacs.0c02724","","x-ray","0.71073","MoKα","","0.0469","0.0418","","","0.1242","0.1306","","","","","","1.036","","","","has coordinates","257115","2020-10-21","18:00:00",""
"4134939","15.658","0.003","16.014","0.003","24.347","0.004","78.975","0.002","77.363","0.002","82.456","0.003","5821.6","1.8","88","2","88","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H190 Gd2 K2 N8 O19 Si12 -","- C76 H190 Gd2 K2 N8 O19 Si12 -","- C152 H380 Gd4 K4 N16 O38 Si24 -","2","1","","Ryan, Austin J.; Balasubramani, Sreeganesh; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Formation of the End-on Bound Lanthanide Dinitrogen Complexes, [(R2N)3Ln-N=N-Ln(NR2)3]2-, from Divalent [(R2N)3Ln]1- Salts (R = SiMe3).","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01021","","","0.71073","MoKα","","0.0739","0.0465","","","0.1014","0.1129","","","","","","1.041","","","","has coordinates,has disorder","251949","2020-10-21","18:00:00",""
"4134940","15.437","0.002","16.218","0.002","26.133","0.003","102.911","0.0017","96.0143","0.0017","104.664","0.0017","6078.5","1.3","88","2","88","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H200 K2 N12 O14 Si12 Tb2 -","- C80 H200 K2 N12 O14 Si12 Tb2 -","- C160 H400 K4 N24 O28 Si24 Tb4 -","2","1","","Ryan, Austin J.; Balasubramani, Sreeganesh; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Formation of the End-on Bound Lanthanide Dinitrogen Complexes, [(R2N)3Ln-N=N-Ln(NR2)3]2-, from Divalent [(R2N)3Ln]1- Salts (R = SiMe3).","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01021","","","0.71073","MoKα","","0.052","0.0334","","","0.0608","0.0664","","","","","","1.012","","","","has coordinates","251950","2020-10-21","18:00:00",""
"4134941","26.421","0.003","30.378","0.004","17.244","0.002","90","","90.8796","0.0017","90","","13839","3","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H120 Gd K N4 O6 Si8 -","- C48 H120 Gd K N4 O6 Si8 -","- C384 H960 Gd8 K8 N32 O48 Si64 -","8","1","","Ryan, Austin J.; Balasubramani, Sreeganesh; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Formation of the End-on Bound Lanthanide Dinitrogen Complexes, [(R2N)3Ln-N=N-Ln(NR2)3]2-, from Divalent [(R2N)3Ln]1- Salts (R = SiMe3).","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01021","","","0.71073","MoKα","","0.0661","0.0556","","","0.1373","0.1452","","","","","","1.04","","","","has coordinates,has disorder","251951","2020-10-21","18:00:00",""
"4134942","12.6104","0.0011","20.7558","0.0017","16.9683","0.0014","90","","93.7131","0.0011","90","","4431.9","0.6","88","2","88","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H146 Gd2 K N7 O7 Si10 -","- C58 H146 Gd2 K N7 O7 Si10 -","- C116 H292 Gd4 K2 N14 O14 Si20 -","2","1","","Ryan, Austin J.; Balasubramani, Sreeganesh; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Formation of the End-on Bound Lanthanide Dinitrogen Complexes, [(R2N)3Ln-N=N-Ln(NR2)3]2-, from Divalent [(R2N)3Ln]1- Salts (R = SiMe3).","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01021","","","0.71073","MoKα","","0.0352","0.0333","","","0.0846","0.0862","","","","","","1.068","","","","has coordinates","251952","2020-10-21","18:00:00",""
"4134943","15.237","0.003","20.708","0.005","21.341","0.005","75.118","0.003","79.221","0.003","76.734","0.003","6275","2","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H210 Gd2 K2 N12 O15 Si12 -","- C84 H210 Gd2 K2 N12 O15 Si12 -","- C168 H420 Gd4 K4 N24 O30 Si24 -","2","1","","Ryan, Austin J.; Balasubramani, Sreeganesh; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Formation of the End-on Bound Lanthanide Dinitrogen Complexes, [(R2N)3Ln-N=N-Ln(NR2)3]2-, from Divalent [(R2N)3Ln]1- Salts (R = SiMe3).","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01021","","","0.71073","MoKα","","0.0515","0.0362","","","0.0794","0.0864","","","","","","1.026","","","","has coordinates,has disorder","251953","2020-10-21","18:00:00",""
"4134944","13.1985","0.0006","7.991","0.0004","21.6147","0.001","90","","107.357","0.001","90","","2175.88","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H33 Cl N O Rh -","- C23 H33 Cl N O Rh -","- C92 H132 Cl4 N4 O4 Rh4 -","4","1","","Kim, Sangmin; Zhong, Hongyu; Park, Yoonsu; Loose, Florian; Chirik, Paul J.","Catalytic Hydrogenation of a Manganese(V) Nitride to Ammonia.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03346","","","0.71073","MoKα","","0.0382","0.0322","","","0.0802","0.0835","","","","","","1.065","","","","has coordinates","251954","2020-10-21","18:00:00",""
"4134945","12.8238","0.0007","7.5442","0.0004","17.2155","0.001","90","","102.9","0.002","90","","1623.48","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N Rh -","- C19 H26 N Rh -","- C76 H104 N4 Rh4 -","4","1","","Kim, Sangmin; Zhong, Hongyu; Park, Yoonsu; Loose, Florian; Chirik, Paul J.","Catalytic Hydrogenation of a Manganese(V) Nitride to Ammonia.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03346","","","0.71073","MoKα","","0.1006","0.0615","","","0.1065","0.1188","","","","","","1.072","","","","has coordinates","251954","2020-10-21","18:00:00",""
"4134946","13.5272","0.0006","7.7023","0.0003","18.0407","0.0008","90","","111.505","0.001","90","","1748.82","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 N Rh -","- C21 H28 N Rh -","- C84 H112 N4 Rh4 -","4","1","","Kim, Sangmin; Zhong, Hongyu; Park, Yoonsu; Loose, Florian; Chirik, Paul J.","Catalytic Hydrogenation of a Manganese(V) Nitride to Ammonia.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03346","","","0.71073","MoKα","","0.0447","0.035","","","0.083","0.0879","","","","","","1.083","","","","has coordinates","251954","2020-10-21","18:00:00",""
"4134947","8.6741","0.0002","9.5339","0.0002","10.0675","0.0002","99.45","0.001","109.73","0.001","90.874","0.001","770.81","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 N2 Rh2 -","- C38 H48 N2 Rh2 -","- C38 H48 N2 Rh2 -","1","0.5","","Kim, Sangmin; Zhong, Hongyu; Park, Yoonsu; Loose, Florian; Chirik, Paul J.","Catalytic Hydrogenation of a Manganese(V) Nitride to Ammonia.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03346","","","1.54178","CuKα","","0.0188","0.0186","","","0.0502","0.0505","","","","","","1.069","","","","has coordinates","251954","2020-10-21","18:00:00",""
"4134948","12.8596","0.0002","12.8714","0.0002","16.7648","0.0002","92.496","0.001","96.418","0.001","105.15","","2654.03","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H40 B F24 N2 Rh -","- C53 H40 B F24 N2 Rh -","- C106 H80 B2 F48 N4 Rh2 -","2","1","","Kim, Sangmin; Zhong, Hongyu; Park, Yoonsu; Loose, Florian; Chirik, Paul J.","Catalytic Hydrogenation of a Manganese(V) Nitride to Ammonia.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03346","","","1.54178","CuKα","","0.0469","0.0469","","","0.1163","0.1163","","","","","","1.104","","","","has coordinates,has disorder","251954","2020-10-21","18:00:00",""
"4134949","5.9297","0.0004","9.0915","0.0006","19.9795","0.0014","90","","90","","90","","1077.09","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","YCL2-14","","","- C10 H16 Br N O2 -","- C10 H16 Br N O2 -","- C40 H64 Br4 N4 O8 -","4","1","","Lin, You-Chen; Ribaucourt, Aubert; Moazami, Yasamin; Pierce, Joshua G.","Concise Synthesis and Antimicrobial Evaluation of the Guanidinium Alkaloid Batzelladine D: Development of a Stereodivergent Strategy.","Journal of the American Chemical Society","2020","142","21","9850","9857","10.1021/jacs.0c04091","","","0.71073","MoKα","","0.0342","0.0247","","","0.0521","0.0547","","","","","","1.031","","","","has coordinates","252613","2020-10-21","18:00:00",""
"4134950","12.8389","0.0005","11.5893","0.0004","11.69","0.0004","90","","90.6262","0.0012","90","","1739.3","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H29 N O2 Si -","- C15 H29 N O2 Si -","- C60 H116 N4 O8 Si4 -","4","1","","Lin, You-Chen; Ribaucourt, Aubert; Moazami, Yasamin; Pierce, Joshua G.","Concise Synthesis and Antimicrobial Evaluation of the Guanidinium Alkaloid Batzelladine D: Development of a Stereodivergent Strategy.","Journal of the American Chemical Society","2020","142","21","9850","9857","10.1021/jacs.0c04091","","","0.71073","MoKα","","0.045","0.0339","","","0.0843","0.0901","","","","","","1.029","","","","has coordinates","252613","2020-10-21","18:00:00",""
"4134951","30.5594","0.0014","30.5594","0.0014","25.331","0.003","90","","90","","120","","20487","3","173","","173","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C58 H38 I0 N0 O17 Zr3 -","- C58 H38 O17 Zr3 -","- C522 H342 O153 Zr27 -","9","0.5","","Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong","Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.","Journal of the American Chemical Society","2020","142","21","9642","9652","10.1021/jacs.0c00637","","","1.54178","CuKα","","0.0845","0.0685","","","0.1814","0.204","","","","","","1.058","","","","has coordinates","252594","2020-10-21","18:00:00",""
"4134952","30.654","0.004","30.654","0.004","24.9","0.007","90","","90","","120","","20263","7","173","","173","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C42 H30 O17 Zr3 -","- C42 H30 O17 Zr3 -","- C378 H270 O153 Zr27 -","9","0.5","","Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong","Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.","Journal of the American Chemical Society","2020","142","21","9642","9652","10.1021/jacs.0c00637","","","1.54178","CuKα","","0.0979","0.0543","","","0.1178","0.1356","","","","","","0.931","","","","has coordinates","252594","2020-10-21","18:00:00",""
"4134953","16.031","0.002","36.971","0.005","44.102","0.005","90","","90","","90","","26138","6","173","","173","","","","","","","","","4","F m m m","-F 2 2","69","","","","- C56 H30 O20 Zr3 -","- C56 H30 O20 Zr3 -","- C448 H240 O160 Zr24 -","8","0.25","","Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong","Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.","Journal of the American Chemical Society","2020","142","21","9642","9652","10.1021/jacs.0c00637","","","0.71073","MoKα","","0.1093","0.0764","","","0.1983","0.2325","","","","","","1.064","","","","has coordinates","252594","2020-10-21","18:00:00",""
"4134954","18.1834","0.0015","33.744","0.002","34.489","0.002","90","","90","","90","","21162","2","173","","173","","","","","","","","","4","F m m m","-F 2 2","69","","","","- C40 H22 O20 Zr3 -","- C40 H22 O20 Zr3 -","- C320 H176 O160 Zr24 -","8","0.25","","Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong","Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.","Journal of the American Chemical Society","2020","142","21","9642","9652","10.1021/jacs.0c00637","","","0.71073","MoKα","","0.0871","0.0547","","","0.172","0.1961","","","","","","1.128","","","","has coordinates","252594","2020-10-21","18:00:00",""
"4134955","13.2744","0.0003","14.5586","0.0004","16.0139","0.0005","74.834","0.003","76.745","0.002","81.664","0.002","2895.51","0.14","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H76 F6 N2 O13 -","- C58 H76 F6 N2 O13 -","- C116 H152 F12 N4 O26 -","2","1","","Tian, Chong; Fielden, Stephen D. P.; Pérez-Saavedra, Borja; Vitorica-Yrezabal, Iñigo J; Leigh, David A.","Single-Step Enantioselective Synthesis of Mechanically Planar Chiral [2]Rotaxanes Using a Chiral Leaving Group Strategy.","Journal of the American Chemical Society","2020","142","21","9803","9808","10.1021/jacs.0c03447","","x-ray","1.54184","CuKα","","0.0522","0.0455","","","0.1093","0.1132","","","","","","1.046","","","","has coordinates,has disorder","252611","2020-10-21","18:00:00",""
"4134956","31.6505","0.0013","31.6505","0.0013","28.6511","0.0015","90","","90","","120","","24856.1","1.9","150","2","150","2","","","","","","","","7","P -3 m 1","-P 3 2""","164","","","","- C468 H396 Cu24 N12 O278 S24 Zr24 -","- C468 H396 Cu24 N12 O278 S24 Zr24 -","- C468 H396 Cu24 N12 O278 S24 Zr24 -","1","0.0833333","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.0971","0.0707","","","0.1967","0.2236","","","","","","1.026","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4134957","35.9458","0.0006","35.9458","0.0006","28.285","0.0007","90","","90","","90","","36547.1","1.2","150","2","150","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C300 H348 Cu24 N36 O204 S24 -","- C300 H348 Cu24 N36 O204 S24 -","- C600 H696 Cu48 N72 O408 S48 -","2","0.125","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.1094","0.0924","","","0.2624","0.298","","","","","","1.021","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4134958","35.291","0.003","17.2056","0.0014","35.416","0.002","90","","117.236","0.004","90","","19120","3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C124 H120 F12 O52 S4 Zr12 -","- C124 H120 F12 O52 S4 Zr12 -","- C496 H480 F48 O208 S16 Zr48 -","4","1","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.1079","0.0898","","","0.2168","0.2295","","","","","","0.977","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4134959","36.587","0.004","36.587","0.004","36.587","0.004","90","","90","","90","","48976","9","200","2","200","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C120 H120 Cl4 O40 Zr12 -","- C120 H120 Cl4.0002 O40 Zr12 -","- C960 H960 Cl32.0016 O320 Zr96 -","8","0.0416667","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.0905","0.0721","","","0.2016","0.2275","","","","","","1.076","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4134960","43.599","0.004","43.599","0.004","43.599","0.004","90","","90","","90","","82876","13","103","2","103","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C400 H280 Cu24 O272 S24 Zr24 -","- C399.974 H279.974 Cu24 O272 S24 Zr24 -","- C1599.9 H1119.9 Cu96 O1088 S96 Zr96 -","4","0.0208333","","Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","A Charged Coordination Cage-Based Porous Salt.","Journal of the American Chemical Society","2020","142","21","9594","9598","10.1021/jacs.0c02806","","","1.54178","CuKα","","0.2593","0.2023","","","0.5032","0.5595","","","","","","2.291","","","","has coordinates,has disorder","252618","2020-10-21","18:00:00",""
"4134961","9.8817","0.0006","19.0615","0.0015","7.877","0.0005","90","","90","","90","","1483.71","0.17","190","2","189.96","","","","","","","","","8","C m m m","-C 2 2","65","","","","- C22 H26 Cu F6 N4 O4 S2 Si -","- C22 H26 Cu F6 N4 O4 S2 Si -","- C44 H52 Cu2 F12 N8 O8 S4 Si2 -","2","0.125","","Wang, Jun; Zhang, Yan; Zhang, Peixin; Hu, Jianbo; Lin, Rui-Biao; Deng, Qiang; Zeng, Zheling; Xing, Huabin; Deng, Shuguang; Chen, Banglin","Optimizing Pore Space for Flexible-Robust Metal-Organic Framework to Boost Trace Acetylene Removal.","Journal of the American Chemical Society","2020","142","21","9744","9751","10.1021/jacs.0c02594","","","1.34139","GaKα","","0.0751","0.0669","","","0.1928","0.2026","","","","","","1.078","","","","has coordinates,has disorder","252595","2020-10-21","18:00:00",""
"4134962","19.04","0.004","9.9063","0.0018","15.835","0.003","90","","90","","90","","2986.7","1","193","2","193","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C20 H28 Cu F6 N4 O6 S2 Si -","- C20 H28 Cu F6 N4 O6 S2 Si -","- C80 H112 Cu4 F24 N16 O24 S8 Si4 -","4","0.25","","Wang, Jun; Zhang, Yan; Zhang, Peixin; Hu, Jianbo; Lin, Rui-Biao; Deng, Qiang; Zeng, Zheling; Xing, Huabin; Deng, Shuguang; Chen, Banglin","Optimizing Pore Space for Flexible-Robust Metal-Organic Framework to Boost Trace Acetylene Removal.","Journal of the American Chemical Society","2020","142","21","9744","9751","10.1021/jacs.0c02594","","","1.34139","GaKα","","0.0862","0.0752","","","0.239","0.2579","","","","","","1.08","","","","has coordinates,has disorder","252595","2020-10-21","18:00:00",""
"4134963","8.9325","0.0002","10.847","0.0003","10.2984","0.0003","90","","96.103","0.001","90","","992.17","0.05","152","2","152","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H24 O3 -","- C25 H24 O3 -","- C50 H48 O6 -","2","1","","Wang, Huanan; Luo, Hongwen; Zhang, Zhan-Ming; Zheng, Wei-Feng; Yin, Yu; Qian, Hui; Zhang, Junliang; Ma, Shengming","Pd-Catalyzed Enantioselective Syntheses of Trisubstituted Allenes via Coupling of Propargylic Benzoates with Organoboronic Acids.","Journal of the American Chemical Society","2020","142","21","9763","9771","10.1021/jacs.0c02876","","","1.54178","CuKα","","0.0324","0.0321","","","0.0905","0.0909","","","","","","1.113","","","","has coordinates","252614","2020-10-21","18:00:00",""
"4134964","19.7281","0.0008","15.4483","0.0009","30.7824","0.0013","90","","90","","90","","9381.4","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C65 H52 Cl2 N2 -","- C65 H52 Cl2 N2 -","- C520 H416 Cl16 N16 -","8","1","","Nakamura, Kimihiro; Li, Qiang-Qiang; Krejčí, Ondřej; Foster, Adam S.; Sun, Kewei; Kawai, Shigeki; Ito, Shingo","On-Surface Synthesis of a π-Extended Diaza[8]circulene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02534","","","0.71073","MoKα","","0.1227","0.0669","","","0.1545","0.1903","","","","","","1.026","","","","has coordinates,has disorder","252098","2020-10-21","18:00:00",""
"4134965","9.9506","0.0004","11.7661","0.0005","12.7401","0.0006","105.8","0.002","95.355","0.002","105.473","0.002","1360.9","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H29 N -","- C40 H29 N -","- C80 H58 N2 -","2","1","","Nakamura, Kimihiro; Li, Qiang-Qiang; Krejčí, Ondřej; Foster, Adam S.; Sun, Kewei; Kawai, Shigeki; Ito, Shingo","On-Surface Synthesis of a π-Extended Diaza[8]circulene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02534","","","0.71073","MoKα","","0.1125","0.0651","","","0.1383","0.1663","","","","","","1.023","","","","has coordinates","252099","2020-10-21","18:00:00",""
"4134966","10.8065","0.0005","12.0091","0.0006","12.1365","0.0005","76.3184","0.0016","82.9885","0.0017","84.3141","0.0019","1514.86","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H35 Cl2 N -","- C41 H35 Cl2 N -","- C82 H70 Cl4 N2 -","2","1","","Nakamura, Kimihiro; Li, Qiang-Qiang; Krejčí, Ondřej; Foster, Adam S.; Sun, Kewei; Kawai, Shigeki; Ito, Shingo","On-Surface Synthesis of a π-Extended Diaza[8]circulene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02534","","","0.71073","MoKα","","0.1485","0.0813","","","0.2051","0.2515","","","","","","1.038","","","","has coordinates","252100","2020-10-21","18:00:00",""
"4134967","15.8416","0.0008","20.2505","0.001","15.2623","0.0008","90","","100.626","0.0017","90","","4812.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67.51 H54.04 Cl N2 -","- C67.518 H54.042 Cl N2 -","- C270.072 H216.168 Cl4 N8 -","4","1","","Nakamura, Kimihiro; Li, Qiang-Qiang; Krejčí, Ondřej; Foster, Adam S.; Sun, Kewei; Kawai, Shigeki; Ito, Shingo","On-Surface Synthesis of a π-Extended Diaza[8]circulene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02534","","","0.71073","MoKα","","0.155","0.0864","","","0.2371","0.288","","","","","","1.028","","","","has coordinates,has disorder","252101","2020-10-21","18:00:00",""
"4134968","18.7383","0.0003","11.5764","0.0003","22.1767","0.0005","90","","93.211","0.002","90","","4803.06","0.18","100.01","0.1","100.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","PTZ","","- C33 H21 N3 S -","- C33 H21 N3 S -","- C264 H168 N24 S8 -","8","1","","Usui, Ryosuke; Yamamoto, Katsuya; Okajima, Hajime; Mutoh, Katsuya; Sakamoto, Akira; Abe, Jiro; Kobayashi, Yoichi","Photochromic Radical Complexes That Show Heterolytic Bond Dissociation.","Journal of the American Chemical Society","2020","142","22","10132","10142","10.1021/jacs.0c02739","","x-ray","0.71073","MoKα","","0.0698","0.0547","","","0.1433","0.1545","","","","","","1.063","","","","has coordinates","257110","2020-10-21","18:00:00",""
"4134969","6.8256","0.0004","12.4886","0.0008","14.5776","0.0009","92.607","0.005","93.237","0.005","105.501","0.005","1193.14","0.13","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C33 H21 N3 O -","- C33 H21 N3 O -","- C66 H42 N6 O2 -","2","1","","Usui, Ryosuke; Yamamoto, Katsuya; Okajima, Hajime; Mutoh, Katsuya; Sakamoto, Akira; Abe, Jiro; Kobayashi, Yoichi","Photochromic Radical Complexes That Show Heterolytic Bond Dissociation.","Journal of the American Chemical Society","2020","142","22","10132","10142","10.1021/jacs.0c02739","","x-ray","0.71073","MoKα","","0.0808","0.0533","","","0.1471","0.168","","","","","","1.037","","","","has coordinates","257110","2020-10-21","18:00:00",""
"4134970","16.6921","0.0002","24.5705","0.0004","30.887","0.0004","74.761","0.001","85.289","0.001","73.432","0.001","11714.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C242 H172 B F20 N10 O22 Pd2 -","- C242 H172 B F20 N10 O22 Pd2 -","- C484 H344 B2 F40 N20 O44 Pd4 -","2","1","","Kishida, Natsuki; Matsumoto, Kyosuke; Tanaka, Yuya; Akita, Munetaka; Sakurai, Hidehiro; Yoshizawa, Michito","Anisotropic Contraction of a Polyaromatic Capsule and Its Cavity-Induced Compression Effect.","Journal of the American Chemical Society","2020","142","21","9599","9603","10.1021/jacs.0c02932","","x-ray","1.54184","CuKα","","0.1638","0.1442","","","0.4296","0.4471","","","","","","1.819","","","","has coordinates,has disorder","252612","2020-10-21","18:00:00",""
"4134971","5.7339","0.0006","46.854","0.005","6.9754","0.0007","90","","96.287","0.006","90","","1862.7","0.3","298.08","","298.08","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H12 Br F9 O2 S -","- C14 H12 Br F9 O2 S -","- C56 H48 Br4 F36 O8 S4 -","4","2","","Tu, Hai-Yong; Wang, Fang; Huo, Liping; Li, Yuanbo; Zhu, Shengqing; Zhao, Xian; Li, Huan; Qing, Feng-Ling; Chu, Lingling","Enantioselective Three-Component Fluoroalkylarylation of Unactivated Olefins through Nickel-Catalyzed Cross-Electrophile Coupling.","Journal of the American Chemical Society","2020","142","21","9604","9611","10.1021/jacs.0c03708","","","1.54178","CuKα","","0.0857","0.0599","","","0.1517","0.1694","","","","","","1.04","","","","has coordinates,has disorder","252616","2020-10-21","18:00:00",""
"4134972","12.8696","0.0002","12.8696","0.0002","27.1408","0.0006","90","","90","","120","","3892.99","0.12","123.15","","123.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C8 H5 Al0.333 F5 O0.333 P0.333 -","- C8 H5 Al0.333333 F5 O0.333333 P0.333333 -","- C144 H90 Al6 F90 O6 P6 -","18","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0309","0.0301","","","0.0778","0.0783","","","","","","1.0423","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134973","10.7445","0.0002","13.4502","0.0002","21.5779","0.0003","102.082","0.0014","99.1286","0.0014","109.539","0.0016","2783.81","0.09","123.15","","123.15","","","","","","","","","8","P -1","-P 1","2","","","","- C45 H46 Al Cu F15 N2 O2 P -","- C45 H46 Al Cu F15 N2 O2 P -","- C90 H92 Al2 Cu2 F30 N4 O4 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0437","0.0417","","","0.1177","0.1194","","","","","","1.0344","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134974","10.7379","0.0001","13.4792","0.0002","21.5394","0.0002","102.294","0.001","98.951","0.001","108.873","0.001","2796.08","0.06","123.15","","123.15","","","","","","","","","8","P -1","-P 1","2","","","","- C45 H48 Al Cu F15 N2 O2 P -","- C45 H48 Al Cu F15 N2 O2 P -","- C90 H96 Al2 Cu2 F30 N4 O4 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0456","0.0426","","","0.1218","0.1247","","","","","","1.0271","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134975","12.4894","0.0002","19.8533","0.0003","19.8687","0.0004","90","","104.524","0.002","90","","4769.12","0.15","123.15","","123.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H34 Al Cu F15 N2 O2 P -","- C39 H34 Al Cu F15 N2 O2 P -","- C156 H136 Al4 Cu4 F60 N8 O8 P4 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0513","0.0463","","","0.1293","0.1347","","","","","","1.0194","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134976","10.6515","0.0003","12.2115","0.0003","18.7731","0.0005","77.285","0.002","87.441","0.002","77.196","0.002","2322.7","0.11","123.15","","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H45 Al F15 N2 O P -","- C48 H45 Al F15 N2 O P -","- C96 H90 Al2 F30 N4 O2 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","0.71073","MoKα","","0.0662","0.0507","","","0.1343","0.1431","","","","","","1.0251","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134977","10.7276","0.0003","12.1842","0.0003","18.7183","0.0005","77.186","0.002","87.431","0.002","77.69","0.002","2330.83","0.11","123.15","","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H47 Al F15 N2 O P -","- C48 H47 Al F15 N2 O P -","- C96 H94 Al2 F30 N4 O2 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","0.71073","MoKα","","0.0661","0.0495","","","0.1292","0.1393","","","","","","1.0327","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134978","23.7593","0.0003","13.3807","0.0002","21.4965","0.0003","90","","90","","90","","6834.08","0.16","123.15","","123.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C62 H108 Cu2 N4 O6 P2 -","- C62 H108 Cu2 N4 O6 P2 -","- C248 H432 Cu8 N16 O24 P8 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0905","0.0805","","","0.2384","0.2845","","","","","","1.2656","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134979","10.478","0.0001","19.7596","0.0001","21.5187","0.0002","90","","103.503","0.001","90","","4332.1","0.06","123.15","","123.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 Al F15 N2 O P -","- C44 H40 Al F15 N2 O P -","- C176 H160 Al4 F60 N8 O4 P4 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0324","0.0307","","","0.0775","0.0786","","","","","","1.0385","","","","has coordinates,has disorder","252620","2020-10-21","18:00:00",""
"4134980","11.6018","0.0002","19.0189","0.0004","19.6291","0.0004","70.363","0.002","79.054","0.002","89.263","0.002","3999.03","0.15","123.15","","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C78 H70 Al2 F30 N4 O2 P2 -","- C78 H70 Al2 F30 N4 O2 P2 -","- C156 H140 Al4 F60 N8 O4 P4 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0374","0.0334","","","0.087","0.0894","","","","","","1.045","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134981","19.1617","0.0002","19.1616","0.0002","38.3323","0.0004","90","","90","","90","","14074.4","0.3","123.15","","123.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H83 Al Cu F15 N4 O3 P2 -","- C68 H83 Al Cu F15 N4 O3 P2 -","- C544 H664 Al8 Cu8 F120 N32 O24 P16 -","8","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0506","0.041","","","0.1003","0.1054","","","","","","1.0415","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134982","13.1271","0.0013","29.4891","0.0016","13.6529","0.0012","90","","115.889","0.011","90","","4754.7","0.8","123.15","","123.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H41 Al Cu F15 N2 O -","- C50 H41 Al Cu F15 N2 O -","- C200 H164 Al4 Cu4 F60 N8 O4 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.1029","0.0768","","","0.1737","0.1888","","","","","","1.09","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134983","9.6259","0.0002","12.1938","0.0003","16.5765","0.0004","106.815","0.002","91.023","0.002","96.979","0.002","1845.82","0.08","123.15","","123.15","","","","","","","","","9","P -1","-P 1","2","","","","- C33 H34 Al Br Cu F10 N2 O2 P -","- C33 H34 Al Br Cu F10 N2 O2 P -","- C66 H68 Al2 Br2 Cu2 F20 N4 O4 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.028","0.0266","","","0.0678","0.0685","","","","","","1.0569","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134984","12.6447","0.0001","17.084","0.0001","13.2667","0.0001","90","","91.894","0.001","90","","2864.33","0.04","123.15","","123.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C46 H62 Al Br7 Cu4 N4 O2 P2 -","- C46 H62 Al Br7 Cu4 N4 O2 P2 -","- C92 H124 Al2 Br14 Cu8 N8 O4 P4 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.024","0.0235","","","0.0627","0.0635","","","","","","1.0429","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4134985","7.0283","0.0016","16.024","0.004","12.874","0.003","90","","92.36","0.014","90","","1448.7","0.6","170","2","170.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cu F6 N2 -","- C13 H11 Cu F6 N2 -","- C52 H44 Cu4 F24 N8 -","4","1","","Liu, Shuanshuan; Liu, He; Liu, Shihan; Lu, Zehai; Lu, Changhui; Leng, Xuebing; Lan, Yu; Shen, Qilong","C(sp<sup>3</sup>)-CF<sub>3</sub> Reductive Elimination from a Five-Coordinate Neutral Copper(III) Complex.","Journal of the American Chemical Society","2020","142","21","9785","9791","10.1021/jacs.0c03304","","","1.34139","GaKα","","0.1349","0.08","","","0.1985","0.2318","","","","","","1.036","","","","has coordinates","252596","2020-10-21","18:00:00",""
"4134986","12.2651","0.0007","21.5126","0.0012","23.1911","0.0013","102.299","0.002","91.505","0.002","90.837","0.002","5975.3","0.6","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H78 F3 N6 O4 P S -","- C63 H78 F3 N6 O4 P S -","- C252 H312 F12 N24 O16 P4 S4 -","4","2","","Löwe, Pawel; Feldt, Milica; Wünsche, Marius A; Wilm, Lukas F. B.; Dielmann, Fabian","Oxophosphonium-Alkyne Cycloaddition Reactions: Reversible Formation of 1,2-Oxaphosphetes and Six-membered Phosphorus Heterocycles.","Journal of the American Chemical Society","2020","142","21","9818","9826","10.1021/jacs.0c03494","","","0.71073","MoKα","","0.0958","0.0823","","","0.1954","0.2043","","","","","","1.039","","","","has coordinates,has disorder","252597","2020-10-21","18:00:00",""
"4134987","14.4315","0.0009","33.871","0.002","19.0779","0.0011","90","","98.973","0.002","90","","9211.3","1","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H93 B F24 N7 O P -","- C96 H93 B F24 N7 O P -","- C384 H372 B4 F96 N28 O4 P4 -","4","1","","Löwe, Pawel; Feldt, Milica; Wünsche, Marius A; Wilm, Lukas F. B.; Dielmann, Fabian","Oxophosphonium-Alkyne Cycloaddition Reactions: Reversible Formation of 1,2-Oxaphosphetes and Six-membered Phosphorus Heterocycles.","Journal of the American Chemical Society","2020","142","21","9818","9826","10.1021/jacs.0c03494","","","0.71073","MoKα","","0.0842","0.0751","","","0.2072","0.2163","","","","","","1.027","","","","has coordinates,has disorder","252597","2020-10-21","18:00:00",""
"4134988","8.7026","0.0008","19.539","0.002","8.1692","0.0008","90","","90","","90","","1389.1","0.2","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H14 I3 N Pb -","- C6 H14 I3 N Pb -","- C24 H56 I12 N4 Pb4 -","4","0.25","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0545","0.038","","","0.1035","0.1111","","","","","","0.95","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134989","10.7896","0.0006","8.1584","0.0004","10.5876","0.0006","90","","90","","90","","931.98","0.09","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C6 H14 I N -","- C6 H14 I N -","- C24 H56 I4 N4 -","4","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0523","0.0325","","","0.0932","0.1017","","","","","","1.044","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134990","27.464","0.009","6.5518","0.001","6.5518","0.001","90","","90","","90","","1178.9","0.5","423","2","423","2","","","","","","","","6","I m m 2","I 2 -2","44","","","","- C12 H24 F4 I4 N2 Pb -","- C12 H24 F4 I4 N2 Pb -","- C24 H48 F8 I8 N4 Pb2 -","2","0.25","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.2239","0.1715","","","0.4511","0.4769","","","","","","1.585","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134991","8.7688","0.0004","19.8584","0.0009","8.1528","0.0003","90","","90","","90","","1419.68","0.11","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C6 H13 F I3 N Pb -","- C6 H13 F I3 N Pb -","- C24 H52 F4 I12 N4 Pb4 -","4","0.25","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0458","0.0361","","","0.0995","0.1046","","","","","","1.056","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134992","8.5418","0.0006","26.836","0.002","10.0432","0.0006","90","","90","","90","","2302.2","0.3","343","2","343","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C12 H24 F4 I4 N2 Pb -","- C12 H24 F4 I4 N2 Pb -","- C48 H96 F16 I16 N8 Pb4 -","4","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0842","0.0706","","","0.2083","0.2233","","","","","","1.065","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134993","13.835","0.0014","9.9882","0.0007","8.5383","0.0008","90","","104.737","0.011","90","","1141.07","0.19","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H24 F4 I4 N2 Pb -","- C12 H24 F4 I4 N2 Pb -","- C24 H48 F8 I8 N4 Pb2 -","2","1","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0934","0.0721","","","0.1923","0.2031","","","","","","1.095","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134994","10.9328","0.0006","8.215","0.0005","10.4944","0.0005","90","","90","","90","","942.53","0.09","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C6 H12 F I N -","- C6 H12 F I N -","- C24 H48 F4 I4 N4 -","4","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0531","0.0373","","","0.1216","0.1319","","","","","","1.117","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134995","10.3925","0.0008","8.0781","0.0006","23.3552","0.0019","90","","90","","90","","1960.7","0.3","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C6 H12 F2 I N -","- C6 H12 F2 I N -","- C48 H96 F16 I8 N8 -","8","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0502","0.0355","","","0.0933","0.1017","","","","","","1.031","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134996","6.6369","0.0011","6.6369","0.0011","27.272","0.006","90","","90","","90","","1201.3","0.4","493","2","493","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- C6 F2 I4 N Pb -","- C6 F2 I4 N Pb -","- C12 F4 I8 N2 Pb2 -","2","0.125","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.425","0.1909","","","0.4486","0.5254","","","","","","1.174","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4134997","17.6169","0.0004","15.2269","0.0004","29.4261","0.0006","90","","102.281","0.001","90","","7712.9","0.3","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C88 H96 O8 -","- C88 H96 O8 -","- C352 H384 O32 -","4","1","","Nogami, Juntaro; Tanaka, Yusuke; Sugiyama, Haruki; Uekusa, Hidehiro; Muranaka, Atsuya; Uchiyama, Masanobu; Tanaka, Ken","Enantioselective Synthesis of Planar Chiral Zigzag-Type Cyclophenylene Belts by Rhodium-Catalyzed Alkyne Cyclotrimerization.","Journal of the American Chemical Society","2020","142","21","9834","9842","10.1021/jacs.0c03684","","","1.54186","CuKα","","0.2105","0.1574","","","0.3985","0.4436","","","","","","1.34","","","","has coordinates,has disorder","252615","2020-10-21","18:00:00",""
"4134998","31.847","0.01","11.095","0.002","16.608","0.004","90","","93.41","0.015","90","","5858","3","99.99","","99.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H78 Br2 Fe2 P6 -","- C55 H78 Br2 Fe2 P6 -","- C220 H312 Br8 Fe8 P24 -","4","0.5","","Arnett, Charles H.; Agapie, Theodor","Activation of an Open Shell, Carbyne-Bridged Diiron Complex Toward Binding of Dinitrogen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01896","","","1.54178","CuKα","","0.2344","0.1879","","","0.3848","0.4118","","","","","","1.072","","","","has coordinates,has disorder","252178","2020-10-21","18:00:00",""
"4134999","14.878","0.004","16.35","0.005","25.612","0.005","90","","90.577","0.015","90","","6230","3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C65 H100 Fe2 P6 -","- C65 H100 Fe2 P6 -","- C260 H400 Fe8 P24 -","4","0.5","","Arnett, Charles H.; Agapie, Theodor","Activation of an Open Shell, Carbyne-Bridged Diiron Complex Toward Binding of Dinitrogen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01896","","","1.54178","CuKα","","0.0315","0.0296","","","0.0738","0.0749","","","","","","1.025","","","","has coordinates","252178","2020-10-21","18:00:00",""
"4135000","32.05","0.02","11.137","0.011","16.323","0.012","90","","94.19","0.03","90","","5811","8","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H80 Fe2 N4 P6 -","- C55 H80 Fe2 N4 P6 -","- C220 H320 Fe8 N16 P24 -","4","0.5","","Arnett, Charles H.; Agapie, Theodor","Activation of an Open Shell, Carbyne-Bridged Diiron Complex Toward Binding of Dinitrogen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01896","","","0.71073","MoKα","","0.102","0.0801","","","0.1846","0.197","","","","","","1.077","","","","has coordinates,has disorder","252178","2020-10-21","18:00:00",""
"4135001","21.364","0.007","18.351","0.004","29.604","0.005","90","","90","","90","","11606","5","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C60 H92 Fe2 N2 P6 -","- C60 H92 Fe2 N2 P6 -","- C480 H736 Fe16 N16 P48 -","8","1","","Arnett, Charles H.; Agapie, Theodor","Activation of an Open Shell, Carbyne-Bridged Diiron Complex Toward Binding of Dinitrogen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01896","","","1.54178","CuKα","","0.0883","0.0703","","","0.1317","0.1406","","","","","","1.134","","","","has coordinates,has disorder","252178","2020-10-21","18:00:00",""
"4135002","18.123","0.003","17.599","0.003","18.209","0.002","90","","108.13","0.01","90","","5519.4","1.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H78 Fe2 N4 P6 -","- C55 H78 Fe2 N4 P6 -","- C220 H312 Fe8 N16 P24 -","4","1","","Arnett, Charles H.; Agapie, Theodor","Activation of an Open Shell, Carbyne-Bridged Diiron Complex Toward Binding of Dinitrogen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01896","","","1.54178","CuKα","","0.0836","0.0633","","","0.1696","0.1868","","","","","","1.061","","","","has coordinates","252178","2020-10-21","18:00:00",""
"4135003","30.198","0.015","24.87","0.008","20.882","0.013","90","","112.32","0.03","90","","14508","13","100.01","","100.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H77 Cl Fe2 N2 P6 -","- C55 H77 Cl Fe2 N2 P6 -","- C440 H616 Cl8 Fe16 N16 P48 -","8","1","","Arnett, Charles H.; Agapie, Theodor","Activation of an Open Shell, Carbyne-Bridged Diiron Complex Toward Binding of Dinitrogen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01896","","","1.54178","CuKα","","0.2311","0.1024","","","0.223","0.2889","","","","","","0.897","","","","has coordinates","252178","2020-10-21","18:00:00",""
"4135004","10.82397","0.00012","16.16979","0.00018","32.6888","0.0004","90","","96.6693","0.0011","90","","5682.52","0.11","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H80 B2 Li2 O9 -","- C64 H80 B2 Li2 O9 -","- C256 H320 B8 Li8 O36 -","4","1","","Sato, Yukiya; Nakamura, Kei; Sumida, Yuto; Hashizume, Daisuke; Hosoya, Takamitsu; Ohmiya, Hirohisa","Generation of Alkyl Radical through Direct Excitation of Boracene-Based Alkylborate.","Journal of the American Chemical Society","2020","142","22","9938","9943","10.1021/jacs.0c04456","","","0.71073","MoKα","","0.057","0.0456","","","0.1082","0.1152","","","","","","1.029","","","","has coordinates,has disorder","257108","2020-10-21","18:00:00",""
"4135005","13.1945","0.0013","10.7243","0.0011","15.7972","0.0014","90","","92.336","0.004","90","","2233.5","0.4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 B10 -","- C20 H28 B10 -","- C80 H112 B40 -","4","1","","Baek, Yonghyeon; Cheong, Kiun; Ko, Gi Hoon; Han, Gi Uk; Han, Sang Hoon; Kim, Dongwook; Lee, Kooyeon; Lee, Phil Ho","Iridium-Catalyzed Cyclative Indenylation and Dienylation through Sequential B(4)-C Bond Formation, Cyclization, and Elimination from <i>o</i>-Carboranes and Propargyl Alcohols.","Journal of the American Chemical Society","2020","142","22","9890","9895","10.1021/jacs.0c02121","","","0.71073","MoKα","","0.1228","0.0921","","","0.1694","0.1823","","","","","","1.182","","","","has coordinates","257114","2020-10-21","18:00:00",""
"4135006","12.9222","0.0006","10.4623","0.0005","13.8208","0.0007","90","","94.9914","0.0016","90","","1861.43","0.16","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 B10 -","- C14 H24 B10 -","- C56 H96 B40 -","4","1","","Baek, Yonghyeon; Cheong, Kiun; Ko, Gi Hoon; Han, Gi Uk; Han, Sang Hoon; Kim, Dongwook; Lee, Kooyeon; Lee, Phil Ho","Iridium-Catalyzed Cyclative Indenylation and Dienylation through Sequential B(4)-C Bond Formation, Cyclization, and Elimination from <i>o</i>-Carboranes and Propargyl Alcohols.","Journal of the American Chemical Society","2020","142","22","9890","9895","10.1021/jacs.0c02121","","","0.71073","MoKα","","0.0928","0.0707","","","0.1694","0.1931","","","","","","1.123","","","","has coordinates,has disorder","257114","2020-10-21","18:00:00",""
"4135007","20.027","0.003","12.0453","0.0016","18.935","0.003","90","","90","","90","","4567.7","1.2","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H32 B10 -","- C18 H32 B10 -","- C144 H256 B80 -","8","2","","Baek, Yonghyeon; Cheong, Kiun; Ko, Gi Hoon; Han, Gi Uk; Han, Sang Hoon; Kim, Dongwook; Lee, Kooyeon; Lee, Phil Ho","Iridium-Catalyzed Cyclative Indenylation and Dienylation through Sequential B(4)-C Bond Formation, Cyclization, and Elimination from <i>o</i>-Carboranes and Propargyl Alcohols.","Journal of the American Chemical Society","2020","142","22","9890","9895","10.1021/jacs.0c02121","","","0.71073","MoKα","","0.0902","0.0728","","","0.1547","0.1658","","","","","","1.116","","","","has coordinates,has disorder","257114","2020-10-21","18:00:00",""
"4135008","10.3192","0.0004","13.6281","0.0006","25.6934","0.0014","90","","90","","90","","3613.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H34 N10 O10 -","- C39 H34 N10 O10 -","- C156 H136 N40 O40 -","4","1","","Shen, Jie; Ye, Ruijuan; Romanies, Alyssa; Roy, Arundhati; Chen, Feng; Ren, Changliang; Liu, Zhiwei; Zeng, Huaqiang","Aquafoldmer-Based Aquaporin-like Synthetic Water Channel.","Journal of the American Chemical Society","2020","142","22","10050","10058","10.1021/jacs.0c02013","","","0.71073","MoKα","","0.1397","0.0706","","","0.1228","0.153","","","","","","1.065","","","","has coordinates","257107","2020-10-21","18:00:00",""
"4135009","8.89","0.003","14.011","0.005","12.417","0.005","90","","96.911","0.008","90","","1535.4","1","205","","205","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Song, Bichao; Xie, Peipei; Li, Yingzi; Hao, Jiping; Wang, Lu; Chen, Xiangyang; Xu, Zhongliang; Quan, Haitian; Lou, Li-Guang; Xia, Yuanzhi; Houk, K. N.; Yang, Weibo","Pd-Catalyzed Decarboxylative Olefination: Stereoselective Synthesis of Polysubstituted Butadienes and Bioactive Macrocyclic Inhibitors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00078","","","0.71073","MoKα","","0.0646","0.0469","","","0.135","0.1499","","","","","","1.029","","","","has coordinates","252215","2020-10-21","18:00:00",""
"4135010","10.97","0.006","6.974","0.005","29.88","0.02","90","","95.82","0.02","90","","2274","3","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N O4 S -","- C25 H23 N O4 S -","- C100 H92 N4 O16 S4 -","4","1","","Song, Bichao; Xie, Peipei; Li, Yingzi; Hao, Jiping; Wang, Lu; Chen, Xiangyang; Xu, Zhongliang; Quan, Haitian; Lou, Li-Guang; Xia, Yuanzhi; Houk, K. N.; Yang, Weibo","Pd-Catalyzed Decarboxylative Olefination: Stereoselective Synthesis of Polysubstituted Butadienes and Bioactive Macrocyclic Inhibitors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00078","","","0.71073","MoKα","","0.1428","0.0903","","","0.2679","0.3088","","","","","","1.083","","","","has coordinates","252216","2020-10-21","18:00:00",""
"4135011","12.1998","0.0002","12.3637","0.0002","19.2246","0.0002","76.708","0.001","75.705","0.001","81.455","0.001","2721.69","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H70 Ir N2 O7 P Si6 -","- C46 H70 Ir N2 O7 P Si6 -","- C92 H140 Ir2 N4 O14 P2 Si12 -","2","1","","Karmel, Caleb; Hartwig, John F.","Mechanism of the Iridium-Catalyzed Silylation of Aromatic C-H Bonds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03301","","","0.71073","MoKα","","0.0343","0.0271","","","0.059","0.0609","","","","","","1.023","","","","has coordinates","252253","2020-10-21","18:00:00",""
"4135012","9.3332","0.0014","12.1683","0.0018","14.396","0.002","90","","90","","90","","1634.9","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 Br2 N2 Ni O2 -","- C12 H18 Br2 N2 Ni O2 -","- C48 H72 Br8 N8 Ni4 O8 -","4","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","0.71073","MoKα","","0.0418","0.0319","","","0.0619","0.0643","","","","","","0.965","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135013","14.2816","0.0013","14.9089","0.0012","26.853","0.002","90","","90","","90","","5717.6","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C61 H45 Cl9 O2 -","- C61 H45 Cl9 O2 -","- C244 H180 Cl36 O8 -","4","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","0.71073","MoKα","","0.1534","0.0803","","","0.2087","0.2688","","","","","","1.008","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135014","6.349","0.0003","8.618","0.0004","13.1236","0.0006","90","","103.89","0.001","90","","697.07","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C34 H32 N4 O2 -","2","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","1.54178","CuKα","","0.029","0.0287","","","0.0733","0.0738","","","","","","1.036","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135015","6.7225","0.0001","8.4948","0.0002","29.8034","0.0005","90","","90","","90","","1701.96","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C84 H88 N8 O4 -","4","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","1.54178","CuKα","","0.062","0.0597","","","0.1563","0.1608","","","","","","1.047","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135016","10.9629","0.0005","9.5777","0.0004","17.0234","0.0008","90","","108.478","0.001","90","","1695.3","0.13","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H31 Cl4 N4 Ni2 O2 -","- C34 H31 Cl4 N4 Ni2 O2 -","- C68 H62 Cl8 N8 Ni4 O4 -","2","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","0.71073","MoKα","","0.0311","0.0264","","","0.0585","0.0609","","","","","","1.042","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135017","11.0227","0.0003","18.3233","0.0005","12.8616","0.0003","90","","107.871","0.001","90","","2472.35","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H80 I2 Si12 -","- C32 H80 I2 Si12 -","- C64 H160 I4 Si24 -","2","0.5","","Nukazawa, Takumi; Iwamoto, Takeaki","An Isolable Tetrasilicon Analogue of a Planar Bicyclo[1.1.0]butane with π-Type Single-Bonding Character.","Journal of the American Chemical Society","2020","142","22","9920","9924","10.1021/jacs.0c03874","","","0.71073","MoKα","","0.0318","0.0235","","","0.0488","0.0523","","","","","","1.026","","","","has coordinates","257113","2020-10-21","18:00:00",""
"4135018","11.6852","0.0003","14.2348","0.0004","17.0541","0.0005","68.082","0.001","78.177","0.001","76.52","0.001","2537.24","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H80 I2 Si12 -","- C32 H80 I2 Si12 -","- C64 H160 I4 Si24 -","2","1","","Nukazawa, Takumi; Iwamoto, Takeaki","An Isolable Tetrasilicon Analogue of a Planar Bicyclo[1.1.0]butane with π-Type Single-Bonding Character.","Journal of the American Chemical Society","2020","142","22","9920","9924","10.1021/jacs.0c03874","","","0.71073","MoKα","","0.0464","0.0313","","","0.0618","0.0687","","","","","","1.013","","","","has coordinates","257113","2020-10-21","18:00:00",""
"4135019","13.4699","0.0005","13.6164","0.0006","20.1702","0.0009","90","","90","","90","","3699.4","0.3","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H32 Cl2 O4 -","- C51 H32 Cl2 O4 -","- C204 H128 Cl8 O16 -","4","1","","Yubuta, Ayaka; Hosokawa, Tomoka; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki; Tsurusaki, Akihiro; Kamikawa, Ken","Enantioselective Synthesis of Triple Helicenes by Cross-Cyclotrimerization of a Helicenyl Aryne and Alkynes via Dynamic Kinetic Resolution.","Journal of the American Chemical Society","2020","142","22","10025","10033","10.1021/jacs.0c01723","","","0.71075","MoKα","","0.0581","0.0561","","","0.1554","0.158","","","","","","1.025","","","","has coordinates","257109","2020-10-21","18:00:00",""
"4135020","13.9734","0.0008","17.3183","0.0009","21.9354","0.0011","67.158","0.002","77.272","0.003","68.459","0.002","4531.5","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C38.5 H73 Al N P2 Sc Si2 -","- C38.5 H73 Al N P2 Sc Si2 -","- C154 H292 Al4 N4 P8 Sc4 Si8 -","4","2","","Zatsepin, Pavel; Lee, Eunji; Gu, Jun; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Tebbe-like and Phosphonioalkylidene and -alkylidyne Complexes of Scandium.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02742","","","0.71073","MoKα","","0.0749","0.048","","","0.095","0.1063","","","","","","1.03","","","","has coordinates,has disorder","252322","2020-10-21","18:00:00",""
"4135021","39.405","0.007","11.884","0.002","24.015","0.004","90","","97.304","0.005","90","","11155","3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C117 H152 Al2 N2 P6 Sc2 -","- C117 H152 Al2 N2 P6 Sc2 -","- C468 H608 Al8 N8 P24 Sc8 -","4","0.5","","Zatsepin, Pavel; Lee, Eunji; Gu, Jun; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Tebbe-like and Phosphonioalkylidene and -alkylidyne Complexes of Scandium.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02742","","","0.71073","MoKα","","0.1975","0.0859","","","0.2097","0.2602","","","","","","1.031","","","","has coordinates,has disorder","252323","2020-10-21","18:00:00",""
"4135022","10.952","0.0006","14.0978","0.0008","27.7873","0.0015","90","","100.03","0.002","90","","4224.8","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H67 Al N P2 Sc Si2 -","- C36 H67 Al N P2 Sc Si2 -","- C144 H268 Al4 N4 P8 Sc4 Si8 -","4","1","","Zatsepin, Pavel; Lee, Eunji; Gu, Jun; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Tebbe-like and Phosphonioalkylidene and -alkylidyne Complexes of Scandium.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02742","","","0.71073","MoKα","","0.0389","0.0304","","","0.0691","0.0729","","","","","","1.028","","","","has coordinates","252324","2020-10-21","18:00:00",""
"4135023","16.6374","0.0007","17.6783","0.0007","33.7373","0.0014","90","","97.683","0.001","90","","9833.8","0.7","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H69 Al N P3 Sc -","- C51 H69 Al N P3 Sc -","- C408 H552 Al8 N8 P24 Sc8 -","8","2","","Zatsepin, Pavel; Lee, Eunji; Gu, Jun; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Tebbe-like and Phosphonioalkylidene and -alkylidyne Complexes of Scandium.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02742","","","0.71073","MoKα","","0.0736","0.053","","","0.1074","0.1153","","","","","","1.115","","","","has coordinates,has disorder","252325","2020-10-21","18:00:00",""
"4135024","12.5485","0.0005","12.7502","0.0005","15.2081","0.0006","83.649","0.002","86.788","0.002","85.681","0.002","2408.64","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H71 N P3 Sc -","- C51 H71 N P3 Sc -","- C102 H142 N2 P6 Sc2 -","2","1","","Zatsepin, Pavel; Lee, Eunji; Gu, Jun; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Tebbe-like and Phosphonioalkylidene and -alkylidyne Complexes of Scandium.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02742","","","0.71073","MoKα","","0.0686","0.0501","","","0.116","0.1269","","","","","","1.03","","","","has coordinates","252326","2020-10-21","18:00:00",""
"4135025","13.215","0.002","15.972","0.003","16.231","0.003","64.146","0.006","84.121","0.005","66.561","0.005","2818.1","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H84 N3 P2 Sc Si -","- C58 H84 N3 P2 Sc Si -","- C116 H168 N6 P4 Sc2 Si2 -","2","1","","Zatsepin, Pavel; Lee, Eunji; Gu, Jun; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Tebbe-like and Phosphonioalkylidene and -alkylidyne Complexes of Scandium.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02742","","","0.71073","MoKα","","0.0981","0.0579","","","0.1452","0.1652","","","","","","1.035","","","","has coordinates,has disorder","252327","2020-10-21","18:00:00",""
"4135026","12.969","0.002","14.092","0.002","14.336","0.002","83.145","0.006","79.087","0.006","87.572","0.006","2553.7","0.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H82 Al N4 P2 Sc Si2 -","- C46 H82 Al N4 P2 Sc Si2 -","- C92 H164 Al2 N8 P4 Sc2 Si4 -","2","1","","Zatsepin, Pavel; Lee, Eunji; Gu, Jun; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Tebbe-like and Phosphonioalkylidene and -alkylidyne Complexes of Scandium.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02742","","","0.71073","MoKα","","0.0574","0.0485","","","0.1301","0.138","","","","","","1.033","","","","has coordinates,has disorder","252328","2020-10-21","18:00:00",""
"4135027","8.3642","0.0004","22.4504","0.001","17.932","0.0008","90","","95.468","0.001","90","","3351.9","0.3","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H32 O2 P2 -","- C43 H32 O2 P2 -","- C172 H128 O8 P8 -","4","1","","Mackenzie, Harvey K.; Rawe, Benjamin W.; Samedov, Kerim; Walsgrove, Henry T. G.; Uva, Azalea; Han, Zeyu; Gates, Derek P.","A Smart Phosphine-Diyne Polymer Displays ""Turn-on"" Emission with a High Selectivity for Gold(I/III) Ions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04330","","","0.71073","MoKα","","0.0821","0.0567","","","0.1397","0.1504","","","","","","1.119","","","","has coordinates","252358","2020-10-21","18:00:00",""
"4135028","5.9827","0.0008","15.686","0.002","34.121","0.005","90","","90","","90","","3202.1","0.8","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C43 H32 P2 -","- C43 H32 P2 -","- C172 H128 P8 -","4","1","","Mackenzie, Harvey K.; Rawe, Benjamin W.; Samedov, Kerim; Walsgrove, Henry T. G.; Uva, Azalea; Han, Zeyu; Gates, Derek P.","A Smart Phosphine-Diyne Polymer Displays ""Turn-on"" Emission with a High Selectivity for Gold(I/III) Ions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04330","","","0.71073","MoKα","","0.0518","0.0461","","","0.106","0.1087","","","","","","1.081","","","","has coordinates","252359","2020-10-21","18:00:00",""
"4135029","29.6193","0.0019","11.3651","0.0007","12.908","0.0008","90","","103.804","0.002","90","","4219.7","0.5","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H32 Au2 Cl2 P2 -","- C43 H32 Au2 Cl2 P2 -","- C172 H128 Au8 Cl8 P8 -","4","0.5","","Mackenzie, Harvey K.; Rawe, Benjamin W.; Samedov, Kerim; Walsgrove, Henry T. G.; Uva, Azalea; Han, Zeyu; Gates, Derek P.","A Smart Phosphine-Diyne Polymer Displays ""Turn-on"" Emission with a High Selectivity for Gold(I/III) Ions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04330","","x-ray","0.71073","MoKα","","0.0341","0.025","","","0.0558","0.0586","","","","","","1.042","","","","has coordinates","252360","2020-10-21","18:00:00",""
"4135030","20.5852","0.0009","21.9306","0.0005","21.2989","0.0007","90","","118.6","0.005","90","","8442.1","0.6","99.98","0.13","99.98","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C132 H102 Br2 F48 N14 P8 -","- C132 H102 Br2 F48 N14 P8 -","- C264 H204 Br4 F96 N28 P16 -","2","0.5","","Liu, Wenqi; Stern, Charlotte L.; Stoddart, J. Fraser","Suit[4]ane.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03408","","x-ray","0.71073","MoKα","","0.1297","0.1002","","","0.3196","0.3448","","","","","","1.294","","","","has coordinates,has disorder","252394","2020-10-21","18:00:00",""
"4135031","7.0794","0.0002","12.4486","0.0004","12.4689","0.0004","111.199","0.003","98.922","0.003","94.144","0.002","1002.24","0.06","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 F6 N4 P Pd -","- C22 H17 F6 N4 P Pd -","- C44 H34 F12 N8 P2 Pd2 -","2","1","","Zhou, Xue-Quan; Xiao, Ming; Vadde, Ramu; Hilgendorf, Jonathan; Li, Xuezhao; Papadopoulou, Panagiota; Siegler, Maxime A.; Kros, Alexander; Sun, Wen; Bonnet, Sylvestre","The self-assembly of a cyclometalated palladium photosensitizer into proteins-stabilized nanorods triggered drug uptake in vitro and in vivo.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01369","","","1.54178","CuKα","","0.0227","0.0203","","","0.0487","0.0492","","","","","","0.969","","","","has coordinates,has disorder","252395","2020-10-21","18:00:00",""
"4135032","8.7303","0.0003","9.6154","0.0003","13.7013","0.0005","77.129","0.003","76.604","0.003","83.396","0.003","1088.31","0.07","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 B2 F8 N5 Pd -","- C21 H17 B2 F8 N5 Pd -","- C42 H34 B4 F16 N10 Pd2 -","2","1","","Zhou, Xue-Quan; Xiao, Ming; Vadde, Ramu; Hilgendorf, Jonathan; Li, Xuezhao; Papadopoulou, Panagiota; Siegler, Maxime A.; Kros, Alexander; Sun, Wen; Bonnet, Sylvestre","The self-assembly of a cyclometalated palladium photosensitizer into proteins-stabilized nanorods triggered drug uptake in vitro and in vivo.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01369","","","0.71073","MoKα","","0.0449","0.0343","","","0.0666","0.0709","","","","","","1.062","","","","has coordinates","252396","2020-10-21","18:00:00",""
"4135033","7.13321","0.00015","12.3984","0.0003","12.5417","0.0003","111.159","0.002","95.1949","0.0018","100.328","0.002","1002.98","0.04","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 F6 N4 P Pd -","- C22 H17 F6 N4 P Pd -","- C44 H34 F12 N8 P2 Pd2 -","2","1","","Zhou, Xue-Quan; Xiao, Ming; Vadde, Ramu; Hilgendorf, Jonathan; Li, Xuezhao; Papadopoulou, Panagiota; Siegler, Maxime A.; Kros, Alexander; Sun, Wen; Bonnet, Sylvestre","The self-assembly of a cyclometalated palladium photosensitizer into proteins-stabilized nanorods triggered drug uptake in vitro and in vivo.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01369","","","0.71073","MoKα","","0.0281","0.0245","","","0.0533","0.0553","","","","","","1.055","","","","has coordinates,has disorder","252397","2020-10-21","18:00:00",""
"4135034","14.9867","0.0006","11.471","0.0005","24.2026","0.001","90","","104.365","0.001","90","","4030.6","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H31 Cl2 F6 I P2 Pd -","- C43 H31 Cl2 F6 I P2 Pd -","- C172 H124 Cl8 F24 I4 P8 Pd4 -","4","1","","Vasquez, Alena M.; Gurak, John A.; Joe, Candice; Cherney, Emily C.; Engle, Keary M.","Catalytic α-Hydroarylation of Acrylates and Acrylamides via an Interrupted Hydrodehalogenation Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03040","","x-ray","0.71073","MoKα","","0.0288","0.0239","","","0.0541","0.0565","","","","","","1.03","","","","has coordinates,has disorder","252442","2020-10-21","18:00:00",""
"4135035","6.5212","0.0003","11.9108","0.0006","27.1935","0.0011","90","","92.608","0.003","90","","2110.01","0.17","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3aa in manuscript","","","- C21 H30 B2 O5 -","- C21 H30 B2 O5 -","- C84 H120 B8 O20 -","4","1","","Zhang, Lumin; Si, Xiaojia; Rominger, Frank; Hashmi, A Stephen K","Visible-Light-Induced Radical Carbo-Cyclization/<i>gem</i>-Diborylation through Triplet Energy Transfer between a Gold Catalyst and Aryl Iodides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03197","","","1.54178","CuKα","","0.0886","0.0558","","","0.1412","0.1649","","","","","","1.028","","","","has coordinates","252443","2020-10-21","18:00:00",""
"4135036","7.6731","0.0002","14.8909","0.0004","15.3716","0.0005","90","","90","","90","","1756.35","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Cl3 N2 -","- C16 H19 Cl3 N2 -","- C64 H76 Cl12 N8 -","4","1","","Zhou, Mingkang; Li, Kaidi; Chen, Dongping; Xu, Ronghua; Xu, Guangqing; Tang, Wenjun","Enantioselective Reductive Coupling of Imines Templated by Chiral Diboron.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04558","","","0.71073","MoKα","","0.0483","0.0414","","","0.1084","0.1157","","","","","","1.067","","","","has coordinates","252500","2020-10-21","18:00:00",""
"4135037","5.0937","0.0003","10.171","0.0006","10.7742","0.0006","85.704","0.002","77.91","0.002","89.183","0.002","544.28","0.05","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H28 N2 O2 -","- C24 H28 N2 O2 -","- C24 H28 N2 O2 -","1","1","","Zhou, Mingkang; Li, Kaidi; Chen, Dongping; Xu, Ronghua; Xu, Guangqing; Tang, Wenjun","Enantioselective Reductive Coupling of Imines Templated by Chiral Diboron.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04558","","","1.54178","CuKα","","0.039","0.0378","","","0.1011","0.1027","","","","","","1.056","","","","has coordinates,has disorder","252501","2020-10-21","18:00:00",""
"4135038","12.8085","0.0001","60.9472","0.001","36.1921","0.0003","90","","98.539","0.001","90","","27939.9","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C236 H139 Cl10 Co5 N33 O40 S10 -","- C236 H136 Cl7 Co5 N33 O28 S10 -","- C944 H544 Cl28 Co20 N132 O112 S40 -","4","0.5","","Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R.","An <i>S</i><sub>10</sub>-symmetric 5-fold Interlocked [2]Catenane.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03349","","","0.6889","Synchrotron","","0.1333","0.0909","","","0.3063","0.3339","","","","","","1.083","","","","has coordinates,has disorder","252507","2020-10-21","18:00:00",""
"4135039","14.9831","0.0001","24.4806","0.0002","40.1002","0.0002","83.35","0.001","88.867","0.001","85.895","0.001","14571.2","0.17","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C271 H173.5 Co5 F36 N39.5 O43.5 Re4 S22 -","- C267.8 H168.5 Co5 F26.4 N37.9 O37.1 Re4 S18.8 -","- C535.6 H337 Co10 F52.8 N75.8 O74.2 Re8 S37.6 -","2","1","","Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R.","An <i>S</i><sub>10</sub>-symmetric 5-fold Interlocked [2]Catenane.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03349","","","0.6889","Synchrotron","","0.1287","0.0781","","","0.2366","0.2716","","","","","","0.984","","","","has coordinates,has disorder","252508","2020-10-21","18:00:00",""
"4135040","33.308","0.007","28.413","0.006","44.063","0.009","90","","110.98","0.03","90","","38936","16","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C382.5 H313.75 B10 Cu10 F40 N56.25 O2.5 S20 -","- C382.5 H297.85 B10 Cu10 F40 N56.25 O2.5 S20 -","- C1530 H1191.4 B40 Cu40 F160 N225 O10 S80 -","4","1","","Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R.","An <i>S</i><sub>10</sub>-symmetric 5-fold Interlocked [2]Catenane.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03349","","","0.6889","Synchrotron","","0.1098","0.087","","","0.2677","0.2851","","","","","","1.01","","","","has coordinates,has disorder","252509","2020-10-21","18:00:00",""
"4135041","27.3964","0.0008","27.5891","0.0011","27.8154","0.0008","90.192","0.003","118.294","0.002","116.73","0.003","15894.8","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C301 H217.5 B10 Co5 F40 N50.5 O S10 -","- C301 H176 B10 Co5 F40 N50.5 O S10 -","- C602 H352 B20 Co10 F80 N101 O2 S20 -","2","1","","Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R.","An <i>S</i><sub>10</sub>-symmetric 5-fold Interlocked [2]Catenane.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03349","","","0.6889","Synchrotron","","0.1524","0.1092","","","0.32","0.3466","","","","","","1.099","","","","has coordinates,has disorder","252510","2020-10-21","18:00:00",""
"4135042","12.7122","0.0003","60.0379","0.0011","36.2181","0.0005","90","","98.238","0.002","90","","27356.9","0.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C252 H163 B10 Co5 F40 N41 S10 -","- C252 H136 B8 Co5 F32 N41 S10 -","- C1008 H544 B32 Co20 F128 N164 S40 -","4","0.5","","Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R.","An <i>S</i><sub>10</sub>-symmetric 5-fold Interlocked [2]Catenane.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03349","","","0.6889","Synchrotron","","0.1484","0.1131","","","0.3178","0.346","","","","","","1.081","","","","has coordinates,has disorder","252511","2020-10-21","18:00:00",""
"4135043","35.3596","0.0001","34.5841","0.0002","34.619","0.0001","90","","90","","90","","42334.9","0.3","100","2","100","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C398 H305 B10 Cu10 F40 N40 O4.5 S20 -","- C398 H305 B9 Cu10 F36 N40 O4.5 S20 -","- C1592 H1220 B36 Cu40 F144 N160 O18 S80 -","4","0.5","","Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R.","An <i>S</i><sub>10</sub>-symmetric 5-fold Interlocked [2]Catenane.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03349","","","0.6889","Synchrotron","","0.116","0.0949","","","0.3027","0.3188","","","","","","1.087","","","","has coordinates,has disorder","252512","2020-10-21","18:00:00",""
"4135044","24.5549","0.0002","26.508","0.0003","47.3015","0.0005","90","","93.073","0.001","90","","30744.3","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C253 H161.5 B22 F48 N40.5 O32 S26 Zn5 -","- C242.2 H160 B24 F21.6 N36.1 O14.4 S17.2 Zn5 -","- C968.8 H640 B96 F86.4 N144.4 O57.6 S68.8 Zn20 -","4","1","","Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R.","An <i>S</i><sub>10</sub>-symmetric 5-fold Interlocked [2]Catenane.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03349","","","0.6889","Synchrotron","","0.1878","0.1263","","","0.3435","0.3866","","","","","","1.121","","","","has coordinates,has disorder","252513","2020-10-21","18:00:00",""
"4135045","51.354","0.006","5.7125","0.0007","17.328","0.002","90","","93.198","0.004","90","","5075.4","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 N5 Ni -","- C28 H34 N5 Ni -","- C224 H272 N40 Ni8 -","8","1","","McNeece, Andrew J.; Jesse, Kate; Xie, Jiaze; Filatov, Alexander S.; Anderson, John S.","Generation and Oxidative Reactivity of a Ni(II) Superoxo Complex via Ligand-Based Redox Non-Innocence.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03244","","","0.71073","MoKα","","0.0851","0.0672","","","0.1602","0.1703","","","","","","1.078","","","","has coordinates,has disorder","252547","2020-10-21","18:00:00",""
"4135046","12.197","0.006","15.166","0.008","21.97","0.011","71.701","0.012","76.17","0.011","69.672","0.013","3579","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H68 F6 N10 Ni2 O6 S2 -","- C58 H68 F6 N10 Ni2 O6 S2 -","- C116 H136 F12 N20 Ni4 O12 S4 -","2","1","","McNeece, Andrew J.; Jesse, Kate; Xie, Jiaze; Filatov, Alexander S.; Anderson, John S.","Generation and Oxidative Reactivity of a Ni(II) Superoxo Complex via Ligand-Based Redox Non-Innocence.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03244","","","0.71073","MoKα","","0.1917","0.1592","","","0.3329","0.3534","","","","","","1.045","","","","has coordinates,has disorder","252548","2020-10-21","18:00:00",""
"4135047","26.1933","0.0004","14.6636","0.0002","20.6104","0.0003","90","","90","","90","","7916.2","0.2","249.99","0.1","249.99","0.1","","","","","","","","8","P n n a","-P 2a 2bc","52","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-cobalt bis(hexafluorophosphate) ethanol solvate","","- C69 H82 Br4 Co2 F12 N8 O7 P2 -","- C63 H64 Br4 Co2 F12 N8 O4 P2 -","- C252 H256 Br16 Co8 F48 N32 O16 P8 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.0666","0.0574","","","0.1842","0.1926","","","","","","1.119","","","","has coordinates,has disorder","252572","2020-10-21","18:00:00",""
"4135048","21.6","0.004","15","0.003","20.22","0.004","90","","90","","90","","6551","2","100","2","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris (2-pyridylmethyl)amine)-di-cobalt(III) bis(hexafluorophosphate) methanol solvate","","- C59.5 H62 Br4 Co2 F12 N8 O6.5 P2 -","- C57 H52 Br4 Co2 F12 N8 O4 P2 -","- C228 H208 Br16 Co8 F48 N32 O16 P8 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","0.710918","Synchrotron","","0.0873","0.0645","","","0.1975","0.2212","","","","","","1.079","","","","has coordinates,has disorder","252573","2020-10-21","18:00:00",""
"4135049","17.948","0.004","20.058","0.004","22.915","0.005","90","","90","","90","","8249","3","100","2","100","2","","","","","","","","8","I b a 2","I 2 -2c","45","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(bis(6-methyl-2-pyridylmethyl)(2-pyridylmethyl)amine)-di-cobalt(III) bis(hexafluorophosphate) 1,4-dioxane solvate","","- C79 H96 Br4 Co2 F12 N8 O13 P2 -","- C69 H76 Br4 Co2 F12 N8 O8 P2 -","- C276 H304 Br16 Co8 F48 N32 O32 P8 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","0.7109","Synchrotron","","0.0732","0.0669","","","0.1715","0.1795","","","","","","1.054","","","","has coordinates,has disorder","252574","2020-10-21","18:00:00",""
"4135050","18.36149","0.00017","7.57018","0.00007","22.8673","0.0002","90","","90","","90","","3178.55","0.05","130","0.1","130","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","""3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6' -tetraol diethyl ether solvate""","","- C29 H40 Br4 O6 -","- C29 H40 Br4 O6 -","- C116 H160 Br16 O24 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.0231","0.0227","","","0.0596","0.06","","","","","","1.107","","","","has coordinates","252575","2020-10-21","18:00:00",""
"4135051","9.474","0.0019","16.711","0.003","24.172","0.005","84.25","0.03","87.61","0.03","79.98","0.03","3748.4","1.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-zinc(II) bis(hexafluorophosphate) toluene solvate","","- C70 H72 Br4 F12 N8 O4 P2 Zn2 -","- C63 H64 Br4 F12 N8 O4 P2 Zn2 -","- C126 H128 Br8 F24 N16 O8 P4 Zn4 -","2","1","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","0.710756","Synchrotron","","0.0675","0.0585","","","0.1666","0.1763","","","","","","1.085","","","","has coordinates,has disorder","252576","2020-10-21","18:00:00",""
"4135052","26.0671","0.0003","14.5259","0.0002","20.4819","0.0003","90","","90","","90","","7755.43","0.18","200","0.1","200","0.1","","","","","","","","8","P n n a","-P 2a 2bc","52","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-cobalt bis(hexafluorophosphate) ethanol solvate","","- C68 H79 Br4 Co2 F12 N8 O6.5 P2 -","- C63 H64 Br4 Co2 F12 N8 O4 P2 -","- C252 H256 Br16 Co8 F48 N32 O16 P8 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.1021","0.0869","","","0.2723","0.2926","","","","","","1.116","","","","has coordinates,has disorder","252577","2020-10-21","18:00:00",""
"4135053","26.2505","0.0005","14.6662","0.0004","20.6389","0.0005","90","","90","","90","","7945.9","0.3","299.98","0.1","299.98","0.1","","","","","","","","8","P n n a","-P 2a 2bc","52","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-cobalt bis(hexafluorophosphate) ethanol solvate","","- C67 H76 Br4 Co2 F12 N8 O6 P2 -","- C63 H64 Br4 Co2 F11.988 N8 O4 P1.998 -","- C252 H256 Br16 Co8 F47.952 N32 O16 P7.992 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.0737","0.0621","","","0.1875","0.203","","","","","","1.056","","","","has coordinates,has disorder","252578","2020-10-21","18:00:00",""
"4135054","13.4672","0.0004","15.7188","0.0004","20.5224","0.0005","111.532","0.002","90.341","0.002","109.649","0.003","3764.1","0.2","130.01","0.1","130.01","0.1","","","","","","","","7","P 1","P 1","1","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris (2-pyridylmethyl)amine)-di-cobalt(III) bis(perchlorate) acetone solvate","","- C68.58 H75.16 Br4 Cl2 Co2 N8 O15.86 -","- C68.5815 H75.163 Br4 Cl2 Co2 N8 O15.8605 -","- C137.163 H150.326 Br8 Cl4 Co4 N16 O31.721 -","2","2","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.0401","0.0371","","","0.0958","0.098","","","","","","1.046","","","","has coordinates,has disorder","252579","2020-10-21","18:00:00",""
"4135055","26.024","0.0003","14.4389","0.0001","20.3551","0.0002","90","","90","","90","","7648.59","0.13","149.99","0.1","149.99","0.1","","","","","","","","8","P n n a","-P 2a 2bc","52","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-cobalt bis(hexafluorophosphate) ethanol solvate","","- C69 H82 Br4 Co2 F12 N8 O7 P2 -","- C63 H64 Br4 Co2 F11.988 N8 O4 P1.998 -","- C252 H256 Br16 Co8 F47.952 N32 O16 P7.992 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.1236","0.1097","","","0.3012","0.3139","","","","","","1.124","","","","has coordinates,has disorder","252580","2020-10-21","18:00:00",""
"4135056","20.821","0.004","23.729","0.005","15.968","0.003","90","","106.12","0.03","90","","7579","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-zinc(II) hexafluorophosphate toluene solvate","","- C77 H80 Br4 F6 N8 O4 P Zn2 -","- C63 H64 Br4 F6 N8 O4 P Zn2 -","- C252 H256 Br16 F24 N32 O16 P4 Zn8 -","4","1","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","0.710756","Synchrotron","","0.0995","0.0725","","","0.2032","0.2281","","","","","","0.927","","","","has coordinates,has disorder","252581","2020-10-21","18:00:00",""
"4135057","26.0119","0.0003","14.2861","0.0002","20.1208","0.0002","90","","90","","90","","7477.06","0.15","99.99","0.13","99.99","0.13","","","","","","","","8","P n n a","-P 2a 2bc","52","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-cobalt bis(hexafluorophosphate) ethanol solvate","","- C67 H76 Br4 Co2 F12 N8 O6 P2 -","- C63 H64 Br4 Co2 F12 N8 O4 P2 -","- C252 H256 Br16 Co8 F48 N32 O16 P8 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.081","0.0711","","","0.195","0.2029","","","","","","1.033","","","","has coordinates","252582","2020-10-21","18:00:00",""
"4135058","17.127","0.003","19.36","0.004","25.008","0.005","84.2","0.03","81.18","0.03","89.83","0.03","8151","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris (2-pyridylmethyl)amine)-di-cobalt(III) bis(perchlorate) acetone solvate","","- C78 H94 Br4 Cl2 Co2 N8 O19 -","- C57 H52 Br4 Cl2 Co2 N8 O12 -","- C228 H208 Br16 Cl8 Co8 N32 O48 -","4","2","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","0.7109","Synchrotron","","0.1021","0.0681","","","0.1815","0.1996","","","","","","1.019","","","","has coordinates,has disorder","252583","2020-10-21","18:00:00",""
"4135059","18.3116","0.0016","19.4359","0.0018","29.992","0.003","74.473","0.003","75.276","0.003","84.941","0.003","9944.6","1.6","206","2","205.82","","","","","","","","","4","P -1","-P 1","2","","","","- C168 H132 N12 S12 -","- C168 H132 N12 S12 -","- C336 H264 N24 S24 -","2","1","","Sun, Zhongwei; Li, Pan; Xu, Shijun; Li, Zi-Ying; Nomura, Yoshiaki; Li, Zimu; Liu, Xiaoyun; Zhang, Shaodong","Controlled Hierarchical Self-Assembly of Catenated Cages.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03330","","","1.34139","GaKα","","0.1332","0.1","","","0.2672","0.2876","","","","","","1.101","","","","has coordinates,has disorder","252649","2020-10-21","18:00:00",""
"4135060","70.5814","0.0019","15.2442","0.0004","41.8633","0.0011","90","","118.04","0.001","90","","39755.9","1.9","170","2","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C180 H168 N12 O3 S12 -","- C180 H168 N12 O3 S12 -","- C1440 H1344 N96 O24 S96 -","8","1","","Sun, Zhongwei; Li, Pan; Xu, Shijun; Li, Zi-Ying; Nomura, Yoshiaki; Li, Zimu; Liu, Xiaoyun; Zhang, Shaodong","Controlled Hierarchical Self-Assembly of Catenated Cages.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03330","","","1.34139","GaKα","","0.1643","0.1069","","","0.3125","0.3594","","","","","","1.043","","","","has coordinates","252650","2020-10-21","18:00:00",""
"4135061","10.3008","0.0008","10.3151","0.0009","13.5595","0.0014","94.497","0.008","103.341","0.007","119.914","0.006","1182.7","0.2","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 Ge N O2 -","- C29 H25 Ge N O2 -","- C58 H50 Ge2 N2 O4 -","2","1","","Debrauwer, Vincent; Turlik, Aneta; Rummler, Lénaic; Prescimone, Alessandro; Blanchard, Nicolas; Houk, K. N.; Bizet, Vincent","Ligand-Controlled Regiodivergent Palladium-Catalyzed Hydrogermylation of Ynamides.","Journal of the American Chemical Society","2020","142","25","11153","11164","10.1021/jacs.0c03556","","","1.34143","GaKα","","0.0511","0.0461","","0.064","0.0569","0.0583","","","","","","1.0623","","","","has coordinates","253726","2020-10-21","18:00:00",""
"4135062","20.0288","0.0008","14.5601","0.0007","18.7951","0.0008","90","","115.273","0.002","90","","4956.4","0.4","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Ge N O3 -","- C30 H27 Ge N O3 -","- C240 H216 Ge8 N8 O24 -","8","2","","Debrauwer, Vincent; Turlik, Aneta; Rummler, Lénaic; Prescimone, Alessandro; Blanchard, Nicolas; Houk, K. N.; Bizet, Vincent","Ligand-Controlled Regiodivergent Palladium-Catalyzed Hydrogermylation of Ynamides.","Journal of the American Chemical Society","2020","142","25","11153","11164","10.1021/jacs.0c03556","","x-ray","1.54178","CuKα","","0.0448","0.0391","","","0.0994","0.1034","","","","","","1.036","","","","has coordinates","253726","2020-10-21","18:00:00",""
"4135063","9.2732","0.0004","10.0269","0.0003","27.8796","0.001","90","","94.522","0.003","90","","2584.22","0.16","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 F3 Ge N O2 -","- C30 H24 F3 Ge N O2 -","- C120 H96 F12 Ge4 N4 O8 -","4","1","","Debrauwer, Vincent; Turlik, Aneta; Rummler, Lénaic; Prescimone, Alessandro; Blanchard, Nicolas; Houk, K. N.; Bizet, Vincent","Ligand-Controlled Regiodivergent Palladium-Catalyzed Hydrogermylation of Ynamides.","Journal of the American Chemical Society","2020","142","25","11153","11164","10.1021/jacs.0c03556","","","1.34143","GaKα","","0.073","0.0646","","0.0845","0.0782","0.0764","","","","","","1.0273","","","","has coordinates","253726","2020-10-21","18:00:00",""
"4135064","18.0288","0.0015","18.508","0.0014","22.4157","0.0015","113.701","0.007","90.846","0.007","114.996","0.008","6051.7","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Cl N2 Ni -","- C30 H28 Cl N2 Ni -","- C240 H224 Cl8 N16 Ni8 -","8","4","","Somerville, Rosie J.; Odena, Carlota; Obst, Marc F.; Hazari, Nilay; Hopmann, Kathrin H.; Martin, Ruben","Ni(I)-Alkyl Complexes Bearing Phenanthroline Ligands: Experimental Evidence for CO<sub>2</sub> Insertion at Ni(I) Centers.","Journal of the American Chemical Society","2020","142","25","10936","10941","10.1021/jacs.0c04695","","","0.71073","MoKα","","0.0799","0.0452","","","0.1058","0.1163","","","","","","0.986","","","","has coordinates","253725","2020-10-21","18:00:00",""
"4135065","9.8891","0.0016","21.524","0.003","14.62","0.002","90","","103.029","0.005","90","","3031.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Cl N2 Ni -","- C36 H40 Cl N2 Ni -","- C144 H160 Cl4 N8 Ni4 -","4","1","","Somerville, Rosie J.; Odena, Carlota; Obst, Marc F.; Hazari, Nilay; Hopmann, Kathrin H.; Martin, Ruben","Ni(I)-Alkyl Complexes Bearing Phenanthroline Ligands: Experimental Evidence for CO<sub>2</sub> Insertion at Ni(I) Centers.","Journal of the American Chemical Society","2020","142","25","10936","10941","10.1021/jacs.0c04695","","","0.71073","MoKα","","0.0935","0.0526","","","0.1148","0.1306","","","","","","1.032","","","","has coordinates","253725","2020-10-21","18:00:00",""
"4135066","11.0083","0.0006","32.4592","0.0017","8.8043","0.0005","90","","90.9405","0.0018","90","","3145.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H44 N2 Ni O0.5 -","- C37 H44 N2 Ni O0.5 -","- C148 H176 N8 Ni4 O2 -","4","1","","Somerville, Rosie J.; Odena, Carlota; Obst, Marc F.; Hazari, Nilay; Hopmann, Kathrin H.; Martin, Ruben","Ni(I)-Alkyl Complexes Bearing Phenanthroline Ligands: Experimental Evidence for CO<sub>2</sub> Insertion at Ni(I) Centers.","Journal of the American Chemical Society","2020","142","25","10936","10941","10.1021/jacs.0c04695","","","0.71073","MoKα","","0.0821","0.0521","","","0.109","0.1217","","","","","","1.055","","","","has coordinates,has disorder","253725","2020-10-21","18:00:00",""
"4135067","7.0969","0.0005","8.5411","0.0006","14.8555","0.0011","91.182","0.006","103.436","0.006","97.147","0.006","867.87","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10 B2 -","- C10 H10 B2 -","- C40 H40 B8 -","4","2","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.0547","0.0475","","","0.1302","0.1351","","","","","","1.056","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135068","11.1648","0.0006","14.6132","0.001","17.7975","0.001","90","","99.81","0.004","90","","2861.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 B2 N4 -","- C28 H42 B2 N4 -","- C112 H168 B8 N16 -","4","1","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.0768","0.0558","","","0.1388","0.1491","","","","","","1.024","","","","has coordinates,has disorder","253180","2020-10-21","18:00:00",""
"4135069","8.0114","0.0004","20.4702","0.001","14.6659","0.0007","90","","102.299","0.004","90","","2349.9","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 B2 -","- C28 H30 B2 -","- C112 H120 B8 -","4","1","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.0686","0.0571","","","0.1248","0.1302","","","","","","1.146","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135070","8.8118","0.0008","24.1649","0.0018","11.803","0.0012","90","","108.54","0.008","90","","2382.9","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 B2 N -","- C28 H29 B2 N -","- C112 H116 B8 N4 -","4","1","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.1065","0.0747","","","0.1662","0.1826","","","","","","1.124","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135071","7.631","0.0004","17.0502","0.0009","19.5937","0.0008","90","","90","","90","","2549.3","0.2","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C29 H31 B2 N -","- C29 H31 B2 N -","- C116 H124 B8 N4 -","4","0.5","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.0698","0.0593","","","0.1279","0.1328","","","","","","1.179","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135072","8.7888","0.0005","24.0199","0.0012","11.8661","0.0007","90","","108.501","0.005","90","","2375.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 B2 O -","- C28 H28 B2 O -","- C112 H112 B8 O4 -","4","1","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.0835","0.0662","","","0.1415","0.1491","","","","","","1.199","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135073","7.4924","0.0009","9.6174","0.0012","11.9767","0.0016","95.305","0.011","101.49","0.01","103.923","0.01","811.88","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 Br2 N -","- C19 H15 Br2 N -","- C38 H30 Br4 N2 -","2","1","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.1105","0.0822","","","0.1612","0.1689","","","","","","1.382","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135074","11.4624","0.0006","33.3828","0.0016","7.3003","0.0004","90","","118.642","0.004","90","","2451.6","0.2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H21 B2 Br2 N -","- C29 H21 B2 Br2 N -","- C116 H84 B8 Br8 N4 -","4","1","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.0401","0.0378","","","0.0964","0.0977","","","","","","1.039","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135075","13.7589","0.0007","14.0096","0.0009","20.7132","0.001","90","","90","","90","","3992.6","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H19 B2 N -","- C29 H19 B2 N -","- C232 H152 B16 N8 -","8","2","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.131","0.0884","","","0.1786","0.1999","","","","","","1.108","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135076","16.755","0.003","16.845","0.003","18.531","0.004","103.56","0.03","110.52","0.03","107.89","0.03","4304","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C152 H146 Au12 Cl4 N6 O2 P12 S4 -","- C152 H146 Au12 Cl4 N6 O2 P12 S4 -","- C152 H146 Au12 Cl4 N6 O2 P12 S4 -","1","0.5","","Yan, Liang-Liang; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Concentration- and Solvation-Induced Reversible Structural Transformation and Assembly of Polynuclear Gold(I) Sulfido Complexes.","Journal of the American Chemical Society","2020","142","26","11560","11568","10.1021/jacs.0c04677","","","0.82653","synchrotron","","0.0602","0.0599","","","0.1716","0.1721","","","","","","1.029","","","","has coordinates","253724","2020-10-21","18:00:00",""
"4135077","16.927","0.003","11.43","0.002","32.513","0.007","90","","99.02","0.03","90","","6213","2","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C104 H100 Au10 Cl10 N4 P8 S4 -","- C104 H100 Au10 Cl10 N4 P8 S4 -","- C208 H200 Au20 Cl20 N8 P16 S8 -","2","0.5","","Yan, Liang-Liang; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Concentration- and Solvation-Induced Reversible Structural Transformation and Assembly of Polynuclear Gold(I) Sulfido Complexes.","Journal of the American Chemical Society","2020","142","26","11560","11568","10.1021/jacs.0c04677","","","0.82653","synchrotron","","0.0617","0.0585","","","0.1748","0.1799","","","","","","1.06","","","","has coordinates","253724","2020-10-21","18:00:00",""
"4135078","32.431","0.005","32.431","0.005","24.806","0.005","90","","90","","90","","26090","8","100","2","100","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C104 H100 Au10 Cl2 N4 P8 S4 -","- C104 H100 Au10 Cl2 N4 P8 S4 -","- C832 H800 Au80 Cl16 N32 P64 S32 -","8","1","","Yan, Liang-Liang; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Concentration- and Solvation-Induced Reversible Structural Transformation and Assembly of Polynuclear Gold(I) Sulfido Complexes.","Journal of the American Chemical Society","2020","142","26","11560","11568","10.1021/jacs.0c04677","","","0.82657","synchrotron","","0.0703","0.0699","","","0.1844","0.185","","","","","","1.029","","","","has coordinates,has disorder","253724","2020-10-21","18:00:00",""
"4135079","16.539","0.003","33.236","0.007","14.185","0.003","90","","105.86","0.03","90","","7501","3","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C146 H134 Au12 Cl4 N6 O2 P12 S4 -","- C146 H134 Au12 Cl4 N6 O2 P12 S4 -","- C292 H268 Au24 Cl8 N12 O4 P24 S8 -","2","0.5","","Yan, Liang-Liang; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Concentration- and Solvation-Induced Reversible Structural Transformation and Assembly of Polynuclear Gold(I) Sulfido Complexes.","Journal of the American Chemical Society","2020","142","26","11560","11568","10.1021/jacs.0c04677","","","0.71073","synchrotron","","0.078","0.0779","","","0.1857","0.1859","","","","","","1.194","","","","has coordinates","253724","2020-10-21","18:00:00",""
"4135080","4.6691","0.0002","14.0872","0.0007","18.8945","0.001","81.134","0.004","86.917","0.004","85.816","0.004","1223.51","0.1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 N2 O4 S -","- C32 H26 N2 O4 S -","- C64 H52 N4 O8 S2 -","2","1","","Hayakawa, Sakiho; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi","Dinaphthothiepine Bisimide and Its Sulfoxide: Soluble Precursors for Perylene Bisimide.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04096","","","0.71075","MoKα","","0.1415","0.0691","","","0.1451","0.1835","","","","","","1.002","","","","has coordinates","253376","2020-10-21","18:00:00",""
"4135081","3.8643","0.0003","18.7063","0.0011","16.2605","0.001","90","","92.736","0.003","90","","1174.08","0.14","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 O2.15 S0.85 -","- C12 H9 N3 O2.147 S0.853 -","- C48 H36 N12 O8.588 S3.412 -","4","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.34139","GaKα","","0.0899","0.0693","","","0.1815","0.1984","","","","","","1.122","","","","has coordinates,has disorder","253411","2020-10-21","18:00:00",""
"4135082","8.4024","0.0002","16.0107","0.0004","8.5218","0.0002","90","","90.787","0.001","90","","1146.32","0.05","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N3 O2.23 S0.76 -","- C12 H9 N3 O2.236 S0.764 -","- C48 H36 N12 O8.944 S3.056 -","4","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.54178","CuKα","","0.0335","0.0333","","","0.0859","0.0861","","","","","","1.138","","","","has coordinates,has disorder","253412","2020-10-21","18:00:00",""
"4135083","3.8603","0.0002","18.6172","0.001","16.3357","0.0009","90","","92.759","0.002","90","","1172.65","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 O2.07 S0.93 -","- C12 H9 N3 O2.072 S0.928 -","- C48 H36 N12 O8.288 S3.712 -","4","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.34139","GaKα","","0.0484","0.0483","","","0.1186","0.1188","","","","","","1.148","","","","has coordinates,has disorder","253413","2020-10-21","18:00:00",""
"4135084","4.0133","0.0004","22.502","0.003","12.7868","0.0016","90","","95.858","0.006","90","","1148.7","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 O2.6 S0.4 -","- C12 H9 N3 O2.598 S0.402 -","- C48 H36 N12 O10.392 S1.608 -","4","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.34139","GaKα","","0.1138","0.0896","","","0.2579","0.2833","","","","","","1.146","","","","has coordinates,has disorder","253414","2020-10-21","18:00:00",""
"4135085","4.0286","0.0003","23.2739","0.0016","12.5799","0.001","90","","96.504","0.005","90","","1171.92","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.54178","CuKα","","0.1426","0.0748","","","0.1733","0.226","","","","","","0.97","","","","has coordinates","253415","2020-10-21","18:00:00",""
"4135086","22.3314","0.0008","13.9004","0.0005","7.2164","0.0003","90","","90","","90","","2240.08","0.15","200","","200","","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C96 H72 N24 O24 -","8","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.34139","GaKα","","0.0563","0.0555","","","0.1265","0.1276","","","","","","1.157","","","","has coordinates","253416","2020-10-21","18:00:00",""
"4135087","4.2017","0.0004","11.1768","0.001","14.222","0.0012","90","","95.403","0.005","90","","664.92","0.1","150","","150","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H8 Cl N3 O3 -","- C13 H8 Cl N3 O3 -","- C26 H16 Cl2 N6 O6 -","2","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.34139","GaKα","","0.0734","0.0601","","","0.1661","0.1808","","","","","","1.056","","","","has coordinates","253417","2020-10-21","18:00:00",""
"4135088","7.3803","0.0013","8.258","0.0011","20.722","0.003","89.248","0.009","88.452","0.012","63.458","0.009","1129.4","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C48 H36 N12 O12 -","4","2","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.54178","CuKα","","0.1069","0.0896","","","0.2334","0.2509","","","","","","1.013","","","","has coordinates","253418","2020-10-21","18:00:00",""
"4135089","3.9696","0.0008","22.591","0.005","12.705","0.002","90","","97.231","0.014","90","","1130.3","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.54178","CuKα","","0.1062","0.0856","","","0.2109","0.2272","","","","","","1.043","","","","has coordinates","253419","2020-10-21","18:00:00",""
"4135090","3.952","0.004","21.87","0.016","12.864","0.012","90","","95.6","0.04","90","","1106.5","1.7","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C48 H36 N12 O12 -","4","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.54178","CuKα","","0.1458","0.0813","","","0.1977","0.2328","","","","","","1","","","","has coordinates","253420","2020-10-21","18:00:00",""
"4135091","23.2603","0.001","6.8371","0.0003","14.6629","0.0006","90","","112.324","0.001","90","","2157.11","0.16","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C96 H72 N24 O24 -","8","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.54178","CuKα","","0.0381","0.0368","","","0.096","0.1001","","","","","","1.052","","","","has coordinates","253421","2020-10-21","18:00:00",""
"4135092","5.1612","0.0003","30.938","0.002","9.7231","0.0006","90","","91.905","0.003","90","","1551.7","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H48.67 N O10.33 -","- C30.9999 H48.6664 N O10.3333 -","- C61.9998 H97.3328 N2 O20.6666 -","2","1","","Li, Qiuhan; Levi, Samuel; Jacobsen, Eric N.","Highly Selective β-Mannosylations and β-Rhamnosylations Catalyzed by a Bis-thiourea.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04255","","","1.54178","CuKα","","0.0337","0.0332","","","0.0896","0.0904","","","","","","1.091","","","","has coordinates,has disorder","253484","2020-10-21","18:00:00",""
"4135093","6.4201","0.0002","10.7569","0.0003","19.4267","0.0006","90","","93.2719","0.0016","90","","1339.43","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","2","","Li, Qiuhan; Levi, Samuel; Jacobsen, Eric N.","Highly Selective β-Mannosylations and β-Rhamnosylations Catalyzed by a Bis-thiourea.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04255","","","1.54178","CuKα","","0.0322","0.0315","","","0.0854","0.0857","","","","","","1.045","","","","has coordinates","253485","2020-10-21","18:00:00",""
"4135094","9.0039","0.0006","10.8077","0.0007","13.3414","0.0009","94.3829","0.0015","92.6065","0.0014","105.41","0.0013","1245.01","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","HS1","","","- C19 H43 N Si4 -","- C19 H43 N Si4 -","- C38 H86 N2 Si8 -","2","1","","Sakai, Holt A.; Liu, Wei; Le, Chi Chip; MacMillan, David W. C.","Cross-Electrophile Coupling of Unactivated Alkyl Chlorides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04812","","","0.71073","MoKα","","0.0468","0.0345","","","0.0842","0.0903","","","","","","1.032","","","","has coordinates","253531","2020-10-21","18:00:00",""
"4135095","6.2063","0.001","8.2335","0.0013","18.476","0.003","90","","98.177","0.009","90","","934.5","0.3","170","2","170.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 Br Si -","- C20 H23 Br Si -","- C40 H46 Br2 Si2 -","2","1","","Fu, Liang; Zhang, Zhihan; Chen, Pinhong; Lin, Zhenyang; Liu, Guosheng","Enantioselective Copper-Catalyzed Alkynylation of Benzylic C-H Bonds via Radical Relay.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05373","","","1.34139","GaKα","","0.1007","0.0841","","","0.209","0.2314","","","","","","1.122","","","","has coordinates","253634","2020-10-21","18:00:00",""
"4135096","9.7177","0.0004","10.0431","0.0005","22.0386","0.001","90","","90","","90","","2150.88","0.17","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N4 O3 S -","- C22 H20 N4 O3 S -","- C88 H80 N16 O12 S4 -","4","1","","Fu, Liang; Zhang, Zhihan; Chen, Pinhong; Lin, Zhenyang; Liu, Guosheng","Enantioselective Copper-Catalyzed Alkynylation of Benzylic C-H Bonds via Radical Relay.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05373","","","0.71073","MoKα","","0.0559","0.0431","","","0.1017","0.1118","","","","","","1.059","","","","has coordinates","253635","2020-10-21","18:00:00",""
"4135097","9.5614","0.0002","26.9394","0.0005","7.325","0.0001","90","","90","","90","","1886.76","0.06","170","2","169.97","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N S Si -","- C20 H21 N S Si -","- C80 H84 N4 S4 Si4 -","4","1","","Fu, Liang; Zhang, Zhihan; Chen, Pinhong; Lin, Zhenyang; Liu, Guosheng","Enantioselective Copper-Catalyzed Alkynylation of Benzylic C-H Bonds via Radical Relay.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05373","","","1.34139","GaKα","","0.0472","0.0391","","","0.0798","0.0833","","","","","","1.092","","","","has coordinates","253636","2020-10-21","18:00:00",""
"4135098","34.0184","0.0007","26.2564","0.0006","21.7846","0.0005","90","","90","","90","","19458","0.7","170.15","","170.15","","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C120 H220 Au28 S20 -","- C120 H220 Au28 S20 -","- C480 H880 Au112 S80 -","4","0.25","","Xia, Nan; Yuan, Jinyun; Liao, Lingwen; Zhang, Wenhao; Li, Jin; Deng, Haiteng; Yang, Jinlong; Wu, Zhikun","Structural Oscillation Revealed in Gold Nanoparticles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02117","","","1.34139","GaKα","","0.1112","0.0879","","","0.2179","0.2368","","","","","","1.012","","","","has coordinates","253637","2020-10-21","18:00:00",""
"4135099","31.7979","0.0013","18.4577","0.0007","26.0404","0.0011","90","","94.017","0.002","90","","15246","1.1","170","","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C100 H180 Au28 S20 -","- C100 H180 Au28 S20 -","- C400 H720 Au112 S80 -","4","0.5","","Xia, Nan; Yuan, Jinyun; Liao, Lingwen; Zhang, Wenhao; Li, Jin; Deng, Haiteng; Yang, Jinlong; Wu, Zhikun","Structural Oscillation Revealed in Gold Nanoparticles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02117","","","1.34139","GaKα","","0.1184","0.1046","","","0.2646","0.2812","","","","","","1.134","","","","has coordinates,has disorder","253638","2020-10-21","18:00:00",""
"4135100","61.4081","0.0005","11.47738","0.00011","22.2013","0.0002","90","","93.3428","0.0008","90","","15620.9","0.2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C135 H247 Cu4 N33 O17 -","- C135 H247 Cu4 N33 O17 -","- C540 H988 Cu16 N132 O68 -","4","0.5","","Wu, Tong; MacMillan, Samantha N.; Rajabimoghadam, Khashayar; Siegler, Maxime A.; Lancaster, Kyle M.; Garcia-Bosch, Isaac","Structure, spectroscopy and reactivity of a mononuclear copper hydroxide complex in three molecular oxidation states.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03867","","","1.54178","CuKα","","0.0432","0.0424","","","0.1186","0.1193","","","","","","1.024","","","","has coordinates,has disorder","253668","2020-10-21","18:00:00",""
"4135101","14.423","0.003","28.903","0.006","31.726","0.006","90","","90","","90","","13226","5","127.15","","127.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C134 H128 O18 P4 Rh2 -","- C134 H128 O18 P4 Rh2 -","- C536 H512 O72 P16 Rh8 -","4","1","","Yang, Liang-Liang; Evans, Declan; Xu, Bin; Li, Wen-Tao; Li, Mao-Lin; Zhu, Shou-Fei; Houk, K. N.; Zhou, Qi-Lin","Enantioselective Diarylcarbene Insertion into Si-H Bonds Induced by Electronic Properties of the Carbenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04725","","","0.71073","MoKα","","0.1192","0.1017","","","0.2024","0.2163","","","","","","1.125","","","","has coordinates","253669","2020-10-21","18:00:00",""
"4135102","9.952","0.002","19.926","0.004","10.453","0.002","90","","90.6","0.03","90","","2072.8","0.7","113","2","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H21 N O2 Si -","- C23 H21 N O2 Si -","- C92 H84 N4 O8 Si4 -","4","2","","Yang, Liang-Liang; Evans, Declan; Xu, Bin; Li, Wen-Tao; Li, Mao-Lin; Zhu, Shou-Fei; Houk, K. N.; Zhou, Qi-Lin","Enantioselective Diarylcarbene Insertion into Si-H Bonds Induced by Electronic Properties of the Carbenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04725","","","0.71073","MoKα","","0.0912","0.0763","","","0.1955","0.2095","","","","","","1.078","","","","has coordinates","253670","2020-10-21","18:00:00",""
"4135103","13.1217","0.0003","7.9281","0.0002","14.9286","0.0004","90","","97.444","0.001","90","","1539.94","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F9 H6 K5 Mo3 O7 -","- F9 H6 K5 Mo3 O7 -","- F36 H24 K20 Mo12 O28 -","4","1","","Ding, Fenghua; Griffith, Kent J.; Koçer, Can P; Saballos, Richard; Wang, Yiran; Zhang, Chi; Nisbet, Matthew L.; Morris, Andrew J.; Rondinelli, James M.; Poeppelmeier, Kenneth R.","Multimodal Structure Solution with <sup>19</sup>F NMR Crystallography of Spin Singlet Molybdenum Oxyfluorides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04019","","","0.71073","MoKα","","0.0196","0.0187","","","0.0482","0.0489","","","","","","1.063","","","","has coordinates","253671","2020-10-21","18:00:00",""
"4135104","7.4246","0.0004","12.0849","0.0005","16.0856","0.0008","90","","91.596","0.002","90","","1442.73","0.12","100","2","99.92","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- F9 H4 K5 Mo3 O6 -","- F9 H4 K5 Mo3 O6 -","- F36 H16 K20 Mo12 O24 -","4","1","","Ding, Fenghua; Griffith, Kent J.; Koçer, Can P; Saballos, Richard; Wang, Yiran; Zhang, Chi; Nisbet, Matthew L.; Morris, Andrew J.; Rondinelli, James M.; Poeppelmeier, Kenneth R.","Multimodal Structure Solution with <sup>19</sup>F NMR Crystallography of Spin Singlet Molybdenum Oxyfluorides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04019","","","0.71073","MoKα","","0.0249","0.0187","","","0.037","0.0386","","","","","","1.033","","","","has coordinates","253671","2020-10-21","18:00:00",""
"4135105","6.31509","0.00009","24.7024","0.0003","14.59723","0.00018","90","","94.6464","0.0012","90","","2269.65","0.05","100","","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F36 H4 K16 Mo6 O10 Ti3 -","- F36 H4 K16 Mo6 O10 Ti3 -","- F72 H8 K32 Mo12 O20 Ti6 -","2","0.5","","Ding, Fenghua; Griffith, Kent J.; Koçer, Can P; Saballos, Richard; Wang, Yiran; Zhang, Chi; Nisbet, Matthew L.; Morris, Andrew J.; Rondinelli, James M.; Poeppelmeier, Kenneth R.","Multimodal Structure Solution with <sup>19</sup>F NMR Crystallography of Spin Singlet Molybdenum Oxyfluorides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04019","","","0.71073","MoKα","","0.0191","0.0173","","","0.0377","0.0383","","","","","","1.062","","","","has coordinates","253671","2020-10-21","18:00:00",""
"4135106","6.3368","0.0001","24.8645","0.0002","14.7128","0.0001","90","","94.419","0.001","90","","2311.28","0.04","296.1","0.3","296.1","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F36 H4 K16 Mo6 O10 Ti3 -","- F36 H4 K16 Mo6 O10 Ti3 -","- F72 H8 K32 Mo12 O20 Ti6 -","2","0.5","","Ding, Fenghua; Griffith, Kent J.; Koçer, Can P; Saballos, Richard; Wang, Yiran; Zhang, Chi; Nisbet, Matthew L.; Morris, Andrew J.; Rondinelli, James M.; Poeppelmeier, Kenneth R.","Multimodal Structure Solution with <sup>19</sup>F NMR Crystallography of Spin Singlet Molybdenum Oxyfluorides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04019","","x-ray","0.71073","MoKα","","0.0216","0.0189","","","0.041","0.0418","","","","","","1.058","","","","has coordinates","253671","2020-10-21","18:00:00",""
"4135107","11.485","0.0003","11.79","0.0003","12.1794","0.0003","107.588","0.002","92.5269","0.0019","101.528","0.0019","1530.72","0.07","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C45.5 H32 Cl -","- C45.5 H32 Cl -","- C91 H64 Cl2 -","2","1","","Li, Yuanming; Segawa, Yasutomo; Yagi, Akiko; Itami, Kenichiro","A Nonalternant Aromatic Belt: Methylene-Bridged [6]Cycloparaphenylene Synthesized from Pillar[6]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06007","","x-ray","0.71073","MoKα","","0.0903","0.0582","","","0.1543","0.1702","","","","","","1.056","","","","has coordinates,has disorder","254188","2020-10-21","18:00:00",""
"4135108","23.196","0.004","23.143","0.005","16.933","0.003","90","","117.36","0.004","90","","8073","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H84 N8 Ni2 O16 -","- C72 H76 N8 Ni2 O16 -","- C288 H304 N32 Ni8 O64 -","4","1","","Mao, Kaihui; Zhang, Jinlei; Guo, Zijing; Liu, Lizhe; Ma, He; Chin, Yiying; Lin, Hong-Ji; Bao, Songsong; Xie, Hangqing; Yang, Run; Jing, Zhaoyang; Shen, Jiancang; Yuan, Guoliang; Chen, Jian; Wu, Peiheng; Wu, Xinglong","Constructing Asymmetrical Ni-Centered {NiN2O4} Octahedra in Layered Metal-Organic Structures for Near-Room-Temperature Single-Phase Magnetoelectricity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05845","","","0.71073","MoKα","","0.0932","0.0714","","","0.1793","0.1941","","","","","","1.017","","","","has coordinates","254189","2020-10-21","18:00:00",""
"4135109","23.205","0.008","23.187","0.008","16.965","0.005","90","","117.28","0.007","90","","8113","5","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H84 N8 Ni2 O16 -","- C72 H76 N8 Ni2 O16 -","- C288 H304 N32 Ni8 O64 -","4","1","","Mao, Kaihui; Zhang, Jinlei; Guo, Zijing; Liu, Lizhe; Ma, He; Chin, Yiying; Lin, Hong-Ji; Bao, Songsong; Xie, Hangqing; Yang, Run; Jing, Zhaoyang; Shen, Jiancang; Yuan, Guoliang; Chen, Jian; Wu, Peiheng; Wu, Xinglong","Constructing Asymmetrical Ni-Centered {NiN2O4} Octahedra in Layered Metal-Organic Structures for Near-Room-Temperature Single-Phase Magnetoelectricity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05845","","","0.71073","MoKα","","0.1503","0.0817","","","0.1938","0.2375","","","","","","1.005","","","","has coordinates","254190","2020-10-21","18:00:00",""
"4135110","23.256","0.006","23.214","0.006","17.011","0.004","90","","116.955","0.007","90","","8186","4","250","2","250","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H84 N8 Ni2 O16 -","- C72 H76 N8 Ni2 O16 -","- C288 H304 N32 Ni8 O64 -","4","1","","Mao, Kaihui; Zhang, Jinlei; Guo, Zijing; Liu, Lizhe; Ma, He; Chin, Yiying; Lin, Hong-Ji; Bao, Songsong; Xie, Hangqing; Yang, Run; Jing, Zhaoyang; Shen, Jiancang; Yuan, Guoliang; Chen, Jian; Wu, Peiheng; Wu, Xinglong","Constructing Asymmetrical Ni-Centered {NiN2O4} Octahedra in Layered Metal-Organic Structures for Near-Room-Temperature Single-Phase Magnetoelectricity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05845","","","0.71073","MoKα","","0.1685","0.0941","","","0.2098","0.246","","","","","","1.02","","","","has coordinates","254191","2020-10-21","18:00:00",""
"4135111","23.292","0.008","23.257","0.008","16.959","0.006","90","","117.11","0.007","90","","8177","5","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H84 N8 Ni2 O16 -","- C72 H76 N8 Ni2 O16 -","- C288 H304 N32 Ni8 O64 -","4","1","","Mao, Kaihui; Zhang, Jinlei; Guo, Zijing; Liu, Lizhe; Ma, He; Chin, Yiying; Lin, Hong-Ji; Bao, Songsong; Xie, Hangqing; Yang, Run; Jing, Zhaoyang; Shen, Jiancang; Yuan, Guoliang; Chen, Jian; Wu, Peiheng; Wu, Xinglong","Constructing Asymmetrical Ni-Centered {NiN2O4} Octahedra in Layered Metal-Organic Structures for Near-Room-Temperature Single-Phase Magnetoelectricity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05845","","","0.71073","MoKα","","0.1266","0.0827","","","0.2043","0.2428","","","","","","1.036","","","","has coordinates","254192","2020-10-21","18:00:00",""
"4135112","28.055","0.0013","7.0673","0.0006","7.8774","0.0005","90","","90","","90","","1561.88","0.18","150","","150","","","","","","","","","4","C m c 21","C 2c -2","36","2","","","- C17 H16 N4 O2 -","- C17 H16 N4 O2 -","- C68 H64 N16 O8 -","4","0.5","","Faghani, Abbas; Gholami, Mohammad Fardin; Trunk, Matthias; Müller, Johannes; Pachfule, Pradip; Vogl, Sarah; Donskyi, Ievgen; Nickl, Philip; Shao, Jingjing; Huang, Michael R. S.; Unger, Wolfgang E. S.; Arenal, Raul; Koch, Christoph T.; Paulus, Beate; Rabe, Jürgen P; Thomas, Arne; Haag, Rainer; Adeli, Mohsen","Metal-Assisted and Solvent-Mediated Synthesis of Two-Dimensional Triazine Structures on Gram Scale.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02399","","","1.54184","CuKα","","0.0546","0.0468","","","0.1293","0.1376","","","","","","1.042","","","","has coordinates","254317","2020-10-21","18:00:00",""
"4135113","12.7314","0.0008","14.6585","0.0008","15.0308","0.0011","90","","102.22","0.007","90","","2741.5","0.3","298","","298","","","","","","","","","5","C 1 2 1","C 2y","5","1","","","- C30 H21 Cl2 N6 O4 -","- C30 H21 Cl2 N6 O4 -","- C120 H84 Cl8 N24 O16 -","4","1","","Faghani, Abbas; Gholami, Mohammad Fardin; Trunk, Matthias; Müller, Johannes; Pachfule, Pradip; Vogl, Sarah; Donskyi, Ievgen; Nickl, Philip; Shao, Jingjing; Huang, Michael R. S.; Unger, Wolfgang E. S.; Arenal, Raul; Koch, Christoph T.; Paulus, Beate; Rabe, Jürgen P; Thomas, Arne; Haag, Rainer; Adeli, Mohsen","Metal-Assisted and Solvent-Mediated Synthesis of Two-Dimensional Triazine Structures on Gram Scale.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02399","","","1.54184","CuKα","","0.2213","0.1583","","","0.4739","0.5385","","","","","","1.59","","","","has coordinates","254318","2020-10-21","18:00:00",""
"4135114","21.6885","0.0016","13.647","0.004","12.5084","0.0011","90","","90","","90","","3702.3","1.2","150","","150","","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- C18 Br6 -","- C18 Br6 -","- C144 Br48 -","8","0.5","","Scriven, Lorel M.; Kaiser, Katharina; Schulz, Fabian; Sterling, Alistair J.; Woltering, Steffen L.; Gawel, Przemyslaw; Christensen, Kirsten E.; Anderson, Harry L.; Gross, Leo","Synthesis of Cyclo[18]carbon via Debromination of C<sub>18</sub>Br<sub>6</sub>.","Journal of the American Chemical Society","2020","142","30","12921","12924","10.1021/jacs.0c05033","","","1.54184","CuKα","","0.2032","0.1297","","0.372","0.2958","0.372","","","","","","0.9687","","","","has coordinates","257120","2020-10-21","18:00:00",""
"4135115","9.666","0.002","13.466","0.004","18.476","0.005","90","","90","","90","","2404.9","1.1","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H41 Fe O P3 -","- C20 H41 Fe O P3 -","- C80 H164 Fe4 O4 P12 -","4","0.5","","Messinis, Antonis M.; Finger, Lars H.; Hu, Lianrui; Ackermann, Lutz","Allenes for Versatile Iron-Catalyzed C-H Activation by Weak O-Coordination: Mechanistic Insights by Kinetics, Intermediate Isolation, and Computation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04837","","","0.71073","MoKα","","0.029","0.0242","","","0.0603","0.0625","","","","","","1.087","","","","has coordinates,has disorder","254355","2020-10-21","18:00:00",""
"4135116","10.626","0.011","19.78","0.02","12.823","0.014","90","","99.803","0.011","90","","2656","5","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C56 H58 O18 -","- C56 H58 O18 -","- C112 H116 O36 -","2","1","","Fujino, Haruka; Fukuda, Takumi; Nagatomo, Masanori; Inoue, Masayuki","Convergent Total Synthesis of Hikizimycin Enabled by Intermolecular Radical Addition to Aldehyde.","Journal of the American Chemical Society","2020","142","30","13227","13234","10.1021/jacs.0c06354","","","0.71075","MoKα","","0.0927","0.0764","","","0.15","0.1639","","","","","","1.06","","","","has coordinates","257119","2020-10-21","18:00:00",""
"4135117","9.4563","0.0004","10.1865","0.0005","17.3631","0.0008","98.128","0.002","93.544","0.002","102.231","0.002","1610.85","0.13","125","2","125","2","","","","","","","","5","P -1","-P 1","2","tBuXphosAuC6H3F2","","","- C35 H48 Au F2 P -","- C35 H48 Au F2 P -","- C70 H96 Au2 F4 P2 -","2","1","","Daley, Ryan A.; Morrenzin, Aaron S.; Neufeldt, Sharon R.; Topczewski, Joseph J.","Gold Catalyzed Decarboxylative Cross-Coupling of Iodoarenes.","Journal of the American Chemical Society","2020","142","30","13210","13218","10.1021/jacs.0c06244","","","0.71073","MoKα","","0.03","0.0245","","","0.0544","0.0567","","","","","","1.043","","","","has coordinates","257118","2020-10-21","18:00:00",""
"4135118","8.7684","0.0005","11.8623","0.0007","12.2989","0.0007","89.239","0.003","77.878","0.002","77.626","0.002","1221","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 Co N3 O -","- C27 H34 Co N3 O -","- C54 H68 Co2 N6 O2 -","2","1","","Kwon, Yubin M.; Lee, Yuri; Evenson, Garrett E.; Jackson, Timothy A.; Wang, Dong","Crystal Structure and C-H Bond Cleaving Reactivity of a Mononuclear Co<sup>IV</sup>-dinitrate Complex.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04368","","x-ray","0.71073","MoKα","","0.065","0.0484","","","0.1376","0.1481","","","","","","1.041","","","","has coordinates","254438","2020-10-21","18:00:00",""
"4135119","7.9985","0.0005","19.2252","0.0011","17.3541","0.0009","90","","99.346","0.002","90","","2633.2","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Co N5 O6 -","- C27 H33 Co N5 O6 -","- C108 H132 Co4 N20 O24 -","4","1","","Kwon, Yubin M.; Lee, Yuri; Evenson, Garrett E.; Jackson, Timothy A.; Wang, Dong","Crystal Structure and C-H Bond Cleaving Reactivity of a Mononuclear Co<sup>IV</sup>-dinitrate Complex.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04368","","x-ray","0.71073","MoKα","","0.0654","0.0422","","","0.0798","0.0862","","","","","","1.043","","","","has coordinates","254439","2020-10-21","18:00:00",""
"4135120","36.2527","0.0018","10.9071","0.0005","30.0533","0.0015","90","","116.434","0.001","90","","10641","0.9","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27.5 H34 Cl Co N4 O3 -","- C27.5 H34 Cl Co N4 O3 -","- C440 H544 Cl16 Co16 N64 O48 -","16","2","","Kwon, Yubin M.; Lee, Yuri; Evenson, Garrett E.; Jackson, Timothy A.; Wang, Dong","Crystal Structure and C-H Bond Cleaving Reactivity of a Mononuclear Co<sup>IV</sup>-dinitrate Complex.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04368","","x-ray","0.71073","MoKα","","0.0689","0.0463","","","0.1099","0.1201","","","","","","1.087","","","","has coordinates","254440","2020-10-21","18:00:00",""
"4135121","15.7192","0.0004","15.9825","0.0004","16.7031","0.0003","107.799","0.002","96.824","0.002","112.746","0.002","3547.99","0.17","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C84 H172 Cu4 K4 N12 O28 Pb18 -","- C83.42 H170.84 Cu4 K4 N12 O28 Pb18 -","- C83.42 H170.84 Cu4 K4 N12 O28 Pb18 -","1","0.5","","Lei, Qiao; Zhang, Chao; Shu, Cong-Cong; Morgan, Harry; McGrady, John E.; Sun, Zhong-Ming","[Cu4@E18]4- (E=Sn, Pb): Fused Derivatives of Endohedral Stannaspherene and Plumbaspherene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04815","","","1.54178","CuKα","","0.056","0.052","","","0.1461","0.1493","","","","","","1.067","","","","has coordinates,has disorder","254625","2020-10-21","18:00:00",""
"4135122","15.6801","0.0003","15.8817","0.0003","16.6035","0.0003","107.945","0.002","96.88","0.001","112.688","0.002","3492.49","0.14","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C84 H172 Cu4 K4 N12 O28 Sn18 -","- C84 H172 Cu4 K4 N12 O28 Sn18 -","- C84 H172 Cu4 K4 N12 O28 Sn18 -","1","0.5","","Lei, Qiao; Zhang, Chao; Shu, Cong-Cong; Morgan, Harry; McGrady, John E.; Sun, Zhong-Ming","[Cu4@E18]4- (E=Sn, Pb): Fused Derivatives of Endohedral Stannaspherene and Plumbaspherene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04815","","x-ray","1.54184","CuKα","","0.054","0.0466","","","0.1266","0.1317","","","","","","1.053","","","","has coordinates,has disorder","254626","2020-10-21","18:00:00",""
"4135123","32.9819","0.0004","32.9819","0.0004","9.9569","0.0002","90","","90","","90","","10831.2","0.3","100","","293","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C153 H94 Cu2 N4 O42 -","- C156 H80 Cu2 N4 O42 -","- C312 H160 Cu4 N8 O84 -","2","0.125","","Haase, Frederik; Craig, Gavin A.; Bonneau, Mickaele; Sugimoto, Kunihisa; Furukawa, Shuhei","A pseudo five-fold symmetrical ligand drives geometric frustration in porous metal-organic and hydrogen bonded frameworks.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04450","","x-ray","0.71073","MoKα","","0.0918","0.08","","","0.2408","0.2532","","","","","","1.039","","","","has coordinates,has disorder","254682","2020-10-21","18:00:00",""
"4135124","24.473","0.0006","27.0553","0.0004","20.237","0.0005","90","","113.928","0.003","90","","12247.8","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C454 H486 Cu16 N34 O128 -","- C454 H494 Cu16 N34 O128 -","- C454 H494 Cu16 N34 O128 -","1","0.125","","Haase, Frederik; Craig, Gavin A.; Bonneau, Mickaele; Sugimoto, Kunihisa; Furukawa, Shuhei","A pseudo five-fold symmetrical ligand drives geometric frustration in porous metal-organic and hydrogen bonded frameworks.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04450","","x-ray","0.71073","MoKα","","0.0883","0.0773","","","0.2333","0.2458","","","","","","1.041","","","","has coordinates,has disorder","254683","2020-10-21","18:00:00",""
"4135125","28.6889","0.0003","21.166","0.0002","14.4751","0.0002","90","","90","","90","","8789.7","0.17","100","","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H23 Cu2 N O10 -","- C39 H20 Cu2 N O12 -","- C312 H160 Cu16 N8 O96 -","8","2","","Haase, Frederik; Craig, Gavin A.; Bonneau, Mickaele; Sugimoto, Kunihisa; Furukawa, Shuhei","A pseudo five-fold symmetrical ligand drives geometric frustration in porous metal-organic and hydrogen bonded frameworks.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04450","","x-ray","0.71073","MoKα","","0.0715","0.0564","","","0.1555","0.168","","","","","","1.041","","","","has coordinates,has disorder","254684","2020-10-21","18:00:00",""
"4135126","18.5763","0.0007","19.8786","0.0008","20.7652","0.0007","116.547","0.004","103.456","0.003","104.134","0.004","6113.7","0.6","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C240 H264 Cl2 Cu32 P2 S24 -","- C240 H264 Cl2 Cu32 P2 S24 -","- C240 H264 Cl2 Cu32 P2 S24 -","1","0.5","","Lee, Sanghwa; Bootharaju, Megalamane S.; Deng, Guocheng; Malola, Sami; Baek, Woonhyuk; Häkkinen, Hannu; Zheng, Nanfeng; Hyeon, Taeghwan","[Cu32(PET)24H8Cl2](PPh4)2: A Copper Hydride Nanocluster with a Bisquare Antiprismatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06577","","x-ray","1.54184","CuKα","","0.2482","0.1726","","","0.4704","0.6203","","","","","","1.282","","","","has coordinates,has disorder","254705","2020-10-21","18:00:00",""
"4135127","9.1818","0.0013","9.8124","0.0007","14.8937","0.0009","105.663","0.006","98.138","0.009","105.425","0.01","1212.1","0.2","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H32 N2 O3 -","- C27 H32 N2 O3 -","- C54 H64 N4 O6 -","2","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.07","0.052","","","0.1384","0.1552","","","","","","1.032","","","","has coordinates,has disorder","254792","2020-10-21","18:00:00",""
"4135128","14.4748","0.0005","10.1278","0.0003","16.7654","0.0006","90","","108.018","0.004","90","","2337.24","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 N2 O5 -","- C25 H32 N2 O5 -","- C100 H128 N8 O20 -","4","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","0.71073","MoKα","","0.0671","0.0414","","","0.0974","0.1023","","","","","","0.966","","","","has coordinates","254793","2020-10-21","18:00:00",""
"4135129","7.28461","0.00018","8.30644","0.00017","11.231","0.0003","90","","107.116","0.003","90","","649.48","0.03","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C30 H36 N4 O2 -","2","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.0239","0.0239","","","0.0623","0.0624","","","","","","1.057","","","","has coordinates","254794","2020-10-21","18:00:00",""
"4135130","9.1569","0.0002","30.0858","0.0007","9.35117","0.00019","90","","98.262","0.002","90","","2549.44","0.1","140","0.1","140","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 N2 O5 -","- C28 H36 N2 O5 -","- C112 H144 N8 O20 -","4","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.0483","0.0408","","","0.1017","0.1065","","","","","","1.081","","","","has coordinates,has disorder","254795","2020-10-21","18:00:00",""
"4135131","10.583","0.0003","22.1488","0.0006","7.6644","0.0002","90","","91.898","0.003","90","","1795.56","0.08","139.99","0.1","139.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N2 O3 -","- C20 H26 N2 O3 -","- C80 H104 N8 O12 -","4","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","0.71073","MoKα","","0.0569","0.0439","","","0.1092","0.1183","","","","","","1.023","","","","has coordinates","254796","2020-10-21","18:00:00",""
"4135132","7.5941","0.001","11.684","0.003","11.764","0.003","91.79","0.017","97.291","0.019","102.179","0.017","1010.3","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 F3 N2 O3 -","- C19 H21 F3 N2 O3 -","- C38 H42 F6 N4 O6 -","2","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","","0.71073","MoKα","","0.1338","0.0741","","","0.1818","0.2212","","","","","","1.045","","","","has coordinates,has disorder","254797","2020-10-21","18:00:00",""
"4135133","16.496","0.001","6.8584","0.0005","12.8051","0.0008","90","","94.605","0.006","90","","1444.04","0.16","140.01","0.1","140.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O3 -","- C15 H22 N2 O3 -","- C60 H88 N8 O12 -","4","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.0889","0.0638","","","0.1572","0.1798","","","","","","1.035","","","","has coordinates","254798","2020-10-21","18:00:00",""
"4135134","7.4352","0.0007","11.778","0.002","11.8822","0.0012","83.102","0.011","89.166","0.008","76.743","0.011","1005.4","0.2","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N2 O3 -","- C22 H28 N2 O3 -","- C44 H56 N4 O6 -","2","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.0981","0.0785","","","0.2172","0.2395","","","","","","1.033","","","","has coordinates","254799","2020-10-21","18:00:00",""
"4135135","11.5067","0.0004","11.7673","0.0004","15.5305","0.0005","102.988","0.003","97.945","0.003","96.625","0.003","2005.91","0.12","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 I N2 O3 -","- C20 H25 I N2 O3 -","- C80 H100 I4 N8 O12 -","4","2","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.0327","0.0315","","","0.0836","0.0846","","","","","","1.031","","","","has coordinates","254800","2020-10-21","18:00:00",""
"4135136","8.3248","0.0002","10.4978","0.0003","14.7652","0.0005","84.564","0.003","87.962","0.003","74.981","0.003","1240.6","0.07","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H34 N2 O5 -","- C25 H34 N2 O5 -","- C50 H68 N4 O10 -","2","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.042","0.0353","","","0.0898","0.0945","","","","","","1.038","","","","has coordinates","254801","2020-10-21","18:00:00",""
"4135137","13.313","0.011","16.775","0.014","11.29","0.003","90","","108.53","0.06","90","","2391","3","139.99","0.1","139.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 N2 O5 -","- C25 H34 N2 O5 -","- C100 H136 N8 O20 -","4","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.2593","0.1427","","","0.2924","0.3554","","","","","","0.938","","","","has coordinates","254802","2020-10-21","18:00:00",""
"4135138","6.93221","0.00011","7.41652","0.00012","13.7616","0.0003","90","","92.0002","0.0016","90","","707.09","0.02","139.9","0.4","139.9","0.4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C36 H40 N4 O2 -","2","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.0313","0.0308","","","0.084","0.0847","","","","","","1.047","","","","has coordinates","254803","2020-10-21","18:00:00",""
"4135139","7.4744","0.0003","9.0004","0.0003","9.4211","0.0003","90","","93.445","0.003","90","","632.64","0.04","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C30 H36 N4 O4 -","2","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.0357","0.0323","","","0.0803","0.0828","","","","","","1.051","","","","has coordinates","254804","2020-10-21","18:00:00",""
"4135140","8.4594","0.0004","17.1371","0.0012","33.46","0.002","90","","90","","90","","4850.7","0.5","140","0.1","140","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H32 N2 O6 Si -","- C24 H32 N2 O6 Si -","- C192 H256 N16 O48 Si8 -","8","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.1285","0.065","","","0.1529","0.1952","","","","","","1.029","","","","has coordinates","254805","2020-10-21","18:00:00",""
"4135141","8.46","0.0003","13.8649","0.0004","15.5724","0.0005","105.814","0.003","97.712","0.003","90.105","0.003","1740.15","0.1","163","","163","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H28 B2 F8 N2 O2 -","- C42 H28 B2 F8 N2 O2 -","- C84 H56 B4 F16 N4 O4 -","2","1","","Karimi, Mohammadjavad; Borthakur, Rosmita; Dorsey, Christopher L.; Chen, Chang-Hong; Lajeune, Sébastien; Gabbai, Francois P.","Bifunctional carbenium dications as metal-free catalysts for the reduction of oxygen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04841","","x-ray","0.71073","MoKα","","0.0805","0.0789","","","0.1513","0.1521","","","","","","1.002","","","","has coordinates","254806","2020-10-21","18:00:00",""
"4135142","18.1316","0.0012","9.3794","0.0008","23.3395","0.0016","90","","92.688","0.006","90","","3964.8","0.5","163","","163","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H41 B2 F8 N O4 -","- C47 H41 B2 F8 N O4 -","- C188 H164 B8 F32 N4 O16 -","4","1","","Karimi, Mohammadjavad; Borthakur, Rosmita; Dorsey, Christopher L.; Chen, Chang-Hong; Lajeune, Sébastien; Gabbai, Francois P.","Bifunctional carbenium dications as metal-free catalysts for the reduction of oxygen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04841","","x-ray","1.54184","CuKα","","0.1496","0.1056","","","0.25","0.2827","","","","","","1.002","","","","has coordinates","254807","2020-10-21","18:00:00",""
"4135143","9.9804","0.0001","8.616","0.0001","12.822","0.0001","90","","102.111","0.0012","90","","1078.04","0.019","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H29 Cl F N O -","- C25 H29 Cl F N O -","- C50 H58 Cl2 F2 N2 O2 -","2","1","","Roagna, Giulia; Ascough, David M. H.; Ibba, Francesco; Vicini, Anna Chiara; Fontana, Alberto; Christensen, Kirsten E.; Peschiulli, Aldo; Oehlrich, Daniel; Misale, Antonio; Trabanco, Andrés A; Paton, Robert S.; Pupo, Gabriele; Gouverneur, Veronique","Hydrogen Bonding Phase-Transfer Catalysis with Ionic Reactants: Enantioselective Synthesis of γ-Fluoroamines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05131","","","1.54184","CuKα","","0.0268","0.0265","","0.0706","0.07","0.0706","","","","","","0.9949","","","","has coordinates","254839","2020-10-21","18:00:00",""
"4135144","9.9504","0.0001","10.5265","0.0001","23.7547","0.0004","90","","90","","90","","2488.14","0.05","300","","300","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 Cl F N -","- C11 H17 Cl F N -","- C88 H136 Cl8 F8 N8 -","8","2","","Roagna, Giulia; Ascough, David M. H.; Ibba, Francesco; Vicini, Anna Chiara; Fontana, Alberto; Christensen, Kirsten E.; Peschiulli, Aldo; Oehlrich, Daniel; Misale, Antonio; Trabanco, Andrés A; Paton, Robert S.; Pupo, Gabriele; Gouverneur, Veronique","Hydrogen Bonding Phase-Transfer Catalysis with Ionic Reactants: Enantioselective Synthesis of γ-Fluoroamines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05131","","","1.54184","CuKα","","0.0382","0.0343","","0.0997","0.0944","0.0997","","","","","","1.0011","","","","has coordinates,has disorder","254839","2020-10-21","18:00:00",""
"4135145","25.93","0.003","25.93","0.003","17.8","0.004","90","","90","","120","","10365","3","100","2","100","2","","","","","","","","5","P 6 2 2","P 6 2","177","","","","- C62 H52 N4 Ni O2 -","- C62 H52 N4 Ni O2 -","- C372 H312 N24 Ni6 O12 -","6","0.5","","Wen, Qiang; Tenenholtz, Shira; Shimon, Linda J. W.; Bar-Elli, Omri; Beck, Lior; Houben, Lothar; Cohen, Sidney R.; Feldman, Yishay; Oron, Dan; Lahav, Michal; van der Boom, Milko E.","Chiral and SHG-Active Metal-Organic Frameworks Formed in Solution and on Surfaces: Uniformity, Morphology Control, Oriented Growth, and Post-assembly Functionalization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05384","","","0.7","synchrotron","","0.1036","0.0872","","","0.2467","0.2644","","","","","","1.009","","","","has coordinates","255125","2020-10-21","18:00:00",""
"4135146","13.6468","0.0009","13.6468","0.0009","7.0913","0.0004","90","","90","","90","","1320.65","0.14","100","2","100","2","","","","","","","","3","P -4","P -4","81","","","","- C62 H52 N4 -","- C62 H52 N4 -","- C62 H52 N4 -","1","0.25","","Wen, Qiang; Tenenholtz, Shira; Shimon, Linda J. W.; Bar-Elli, Omri; Beck, Lior; Houben, Lothar; Cohen, Sidney R.; Feldman, Yishay; Oron, Dan; Lahav, Michal; van der Boom, Milko E.","Chiral and SHG-Active Metal-Organic Frameworks Formed in Solution and on Surfaces: Uniformity, Morphology Control, Oriented Growth, and Post-assembly Functionalization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05384","","","0.71073","MoKα","","0.0832","0.0572","","","0.1452","0.1617","","","","","","0.907","","","","has coordinates,has disorder","255126","2020-10-21","18:00:00",""
"4135147","25.8466","0.0008","25.8466","0.0008","18.0005","0.0004","90","","90","","120","","10414.1","0.5","100","2","100","2","","","","","","","","5","P 6 2 2","P 6 2","177","","","","- C62 H52 Br2 N4 Ni -","- C62 H52 Br2 N4 Ni -","- C372 H312 Br12 N24 Ni6 -","6","0.5","","Wen, Qiang; Tenenholtz, Shira; Shimon, Linda J. W.; Bar-Elli, Omri; Beck, Lior; Houben, Lothar; Cohen, Sidney R.; Feldman, Yishay; Oron, Dan; Lahav, Michal; van der Boom, Milko E.","Chiral and SHG-Active Metal-Organic Frameworks Formed in Solution and on Surfaces: Uniformity, Morphology Control, Oriented Growth, and Post-assembly Functionalization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05384","","","1.54184","CuKα","","0.098","0.0901","","","0.2482","0.2583","","","","","","1.15","","","","has coordinates","255127","2020-10-21","18:00:00",""
"4135148","25.912","0.0008","25.912","0.0008","17.7714","0.0004","90","","90","","120","","10333.7","0.5","100","2","100","2","","","","","","","","5","P 6 2 2","P 6 2","177","","","","- C62 H52 Cl2 N4 Ni -","- C62 H52 Cl2 N4 Ni -","- C372 H312 Cl12 N24 Ni6 -","6","0.5","","Wen, Qiang; Tenenholtz, Shira; Shimon, Linda J. W.; Bar-Elli, Omri; Beck, Lior; Houben, Lothar; Cohen, Sidney R.; Feldman, Yishay; Oron, Dan; Lahav, Michal; van der Boom, Milko E.","Chiral and SHG-Active Metal-Organic Frameworks Formed in Solution and on Surfaces: Uniformity, Morphology Control, Oriented Growth, and Post-assembly Functionalization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05384","","","1.54184","CuKα","","0.1054","0.0796","","","0.2159","0.2354","","","","","","1.002","","","","has coordinates,has disorder","255128","2020-10-21","18:00:00",""
"4135149","25.738","0.0018","25.738","0.0018","17.9031","0.001","90","","90","","120","","10270.9","1.2","100","2","100","2","","","","","","","","5","P 6 2 2","P 6 2","177","","","","- C62 H52 N4 Ni O2 -","- C62 H52 N4 Ni O2 -","- C372 H312 N24 Ni6 O12 -","6","0.5","","Wen, Qiang; Tenenholtz, Shira; Shimon, Linda J. W.; Bar-Elli, Omri; Beck, Lior; Houben, Lothar; Cohen, Sidney R.; Feldman, Yishay; Oron, Dan; Lahav, Michal; van der Boom, Milko E.","Chiral and SHG-Active Metal-Organic Frameworks Formed in Solution and on Surfaces: Uniformity, Morphology Control, Oriented Growth, and Post-assembly Functionalization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05384","","","1.54184","CuKα","","0.1124","0.1031","","","0.295","0.3052","","","","","","1.293","","","","has coordinates","255129","2020-10-21","18:00:00",""
"4135150","13.1368","0.0004","13.5686","0.0005","23.9919","0.0008","103.984","0.001","90.546","0.001","102.001","0.001","4051","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C79.34 H96.02 F3 Fe4 N6 O4.66 S5 -","- C79.34 H96.02 F3 Fe4 N6 O4.66 S5 -","- C158.68 H192.04 F6 Fe8 N12 O9.32 S10 -","2","1","","Brown, Alexandra C.; Suess, Daniel L. M.","Reversible Formation of Alkyl Radicals at [Fe<sub>4</sub>S<sub>4</sub>] Clusters and Its Implications for Selectivity in Radical SAM Enzymes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05590","","","0.71073","MoKα","","0.0416","0.0345","","","0.0861","0.0913","","","","","","0.998","","","","has coordinates,has disorder","255130","2020-10-21","18:00:00",""
"4135151","14.489","0.0004","22.5108","0.0006","20.7697","0.0005","90","","96.722","0.001","90","","6727.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H79 Fe4 N6 S4 -","- C70 H79 Fe4 N6 S4 -","- C280 H316 Fe16 N24 S16 -","4","1","","Brown, Alexandra C.; Suess, Daniel L. M.","Reversible Formation of Alkyl Radicals at [Fe<sub>4</sub>S<sub>4</sub>] Clusters and Its Implications for Selectivity in Radical SAM Enzymes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05590","","","0.71073","MoKα","","0.0532","0.0338","","","0.0752","0.084","","","","","","1.03","","","","has coordinates","255131","2020-10-21","18:00:00",""
"4135152","22.8252","0.0011","22.8252","0.0011","53.979","0.003","90","","90","","120","","24355","2","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C78.92 H95.01 F3 Fe4 N8 O4.98 S5 -","- C78.9672 H94.827 F2.9997 Fe3.9999 N7.9998 O4.9917 S4.9999 -","- C947.606 H1137.92 F35.9964 Fe47.9988 N95.9976 O59.9004 S59.9988 -","12","0.333333","","Brown, Alexandra C.; Suess, Daniel L. M.","Reversible Formation of Alkyl Radicals at [Fe<sub>4</sub>S<sub>4</sub>] Clusters and Its Implications for Selectivity in Radical SAM Enzymes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05590","","","0.71073","MoKα","","0.0542","0.0351","","","0.0806","0.095","","","","","","1.139","","","","has coordinates,has disorder","255132","2020-10-21","18:00:00",""
"4135153","31.712","0.005","31.712","0.005","10.0698","0.0014","90","","90","","90","","10127","3","93","","93","","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C33 H19 Cd F6 N3 O7 S2 -","- C33 H19 Cd F6 N3 O7 S2 -","- C264 H152 Cd8 F48 N24 O56 S16 -","8","1","","Sato, Hiroshi; Matsui, Toshiya; Chen, Zhiyi; Pirillo, Jenny; Hijikata, Yuh; Aida, Takuzo","Photochemically Crushable and Regenerative Metal‒Organic Framework","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06615","","","0.71075","MoKα","","0.0691","0.0676","","","0.183","0.184","","","","","","1.178","","","","has coordinates","255186","2020-10-21","18:00:00",""
"4135154","12.3534","0.0002","16.8232","0.0003","16.9837","0.0003","90","","96.717","0.001","90","","3505.39","0.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 B Cl2 F10 N2 O -","- C38 H33 B Cl2 F10 N2 O -","- C152 H132 B4 Cl8 F40 N8 O4 -","4","1","","Vidal, Fernando; McQuade, James; Lalancette, Roger; Jäkle, Frieder","ROMP-Boranes as Moisture-Tolerant and Recyclable Lewis Acid Organocatalysts.","Journal of the American Chemical Society","2020","142","34","14427","14431","10.1021/jacs.0c05454","","","1.54178","CuKα","","0.0864","0.0601","","","0.1285","0.1437","","","","","","1.027","","","","has coordinates","255871","2020-10-21","18:00:00",""
"4135155","18.8513","0.0002","18.8513","0.0002","49.401","0.0006","90","","90","","120","","15203.7","0.3","253","1","253","1","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C86 H51 Cu13 N13 O12 S12 -","- C84 H48 Cu13 N12 O12 S12 -","- C504 H288 Cu78 N72 O72 S72 -","6","0.166667","","Han, Haixiang; Yao, Yuan; Bhargava, Anuj; Wei, Zheng; Tang, Zhichu; Suntivich, Jin; Voznyy, Oleksandr; Robinson, Richard D.","Tertiary Hierarchical Complexity in Assemblies of Sulfur-Bridged Metal Chiral Clusters","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04764","","","1.54184","CuKα","","0.1059","0.1021","","","0.2905","0.2953","","","","","","1.109","","","","has coordinates","255296","2020-10-21","18:00:00",""
"4135156","12.7847","0.0001","15.0435","0.0001","14.647","0.0002","90","","113.055","0.001","90","","2592.01","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H45 N P2 Zn -","- C24 H45 N P2 Zn -","- C96 H180 N4 P8 Zn4 -","4","1","","Rauch, Michael; Kar, Sayan; Kumar, Amit; Avram, Liat; Shimon, Linda J. W.; Milstein, David","Metal-Ligand Cooperation Facilitates Bond Activation and Catalytic Hydrogenation with Zinc Pincer Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05500","","","1.54184","CuKα","","0.0402","0.0388","","","0.1148","0.1159","","","","","","1.127","","","","has coordinates","255410","2020-10-21","18:00:00",""
"4135157","10.6779","0.0003","11.669","0.0003","11.7338","0.0003","84.721","0.002","79.833","0.002","72.012","0.002","1367.64","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H47 N P2 Zn -","- C25 H47 N P2 Zn -","- C50 H94 N2 P4 Zn2 -","2","1","","Rauch, Michael; Kar, Sayan; Kumar, Amit; Avram, Liat; Shimon, Linda J. W.; Milstein, David","Metal-Ligand Cooperation Facilitates Bond Activation and Catalytic Hydrogenation with Zinc Pincer Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05500","","","1.54184","CuKα","","0.0381","0.0367","","","0.1003","0.1021","","","","","","1.064","","","","has coordinates","255410","2020-10-21","18:00:00",""
"4135158","15.2477","0.0006","13.1523","0.0004","15.7173","0.0006","90","","117.078","0.005","90","","2806.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H43 Cl2 N P2 Zn -","- C23 H43 Cl2 N P2 Zn -","- C92 H172 Cl8 N4 P8 Zn4 -","4","1","","Rauch, Michael; Kar, Sayan; Kumar, Amit; Avram, Liat; Shimon, Linda J. W.; Milstein, David","Metal-Ligand Cooperation Facilitates Bond Activation and Catalytic Hydrogenation with Zinc Pincer Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05500","","","0.71073","MoKα","","0.0577","0.0385","","","0.0831","0.0882","","","","","","1.07","","","","has coordinates","255410","2020-10-21","18:00:00",""
"4135159","20.4697","0.0003","12.0184","0.0002","14.2193","0.0002","90","","92.954","0.001","90","","3493.49","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H60 N2 P2 Si2 Zn -","- C29 H60 N2 P2 Si2 Zn -","- C116 H240 N8 P8 Si8 Zn4 -","4","1","","Rauch, Michael; Kar, Sayan; Kumar, Amit; Avram, Liat; Shimon, Linda J. W.; Milstein, David","Metal-Ligand Cooperation Facilitates Bond Activation and Catalytic Hydrogenation with Zinc Pincer Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05500","","","1.54184","CuKα","","0.0435","0.0419","","","0.1093","0.1103","","","","","","1.054","","","","has coordinates","255410","2020-10-21","18:00:00",""
"4135160","19.5996","0.0002","7.7111","0.0001","23.492","0.0003","90","","105.151","0.001","90","","3427.04","0.07","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 Cl N3 O2 P2 Zn -","- C30 H50 Cl N3 O2 P2 Zn -","- C120 H200 Cl4 N12 O8 P8 Zn4 -","4","1","","Rauch, Michael; Kar, Sayan; Kumar, Amit; Avram, Liat; Shimon, Linda J. W.; Milstein, David","Metal-Ligand Cooperation Facilitates Bond Activation and Catalytic Hydrogenation with Zinc Pincer Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05500","","","1.54184","CuKα","","0.0367","0.0358","","","0.0927","0.0934","","","","","","1.065","","","","has coordinates","255410","2020-10-21","18:00:00",""
"4135161","28.6002","0.0007","28.6002","0.0007","10.14949","0.00019","90","","90","","120","","7189.7","0.3","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C6 H5 N3 O3 Zn -","- C6 H5 N3 O3 Zn -","- C108 H90 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0486","0.0392","","","0.0858","0.0902","","","","","","1.042","","","","has coordinates","255514","2020-10-21","18:00:00",""
"4135162","26.6208","0.0013","26.6208","0.0013","10.1543","0.0004","90","","90","","120","","6231.9","0.5","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C11.17 H11.46 N3 O3 Zn -","- C11.2 H11.5 N3 O3 Zn -","- C201.6 H207 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0673","0.0639","","","0.1685","0.1718","","","","","","1.102","","","","has coordinates","255515","2020-10-21","18:00:00",""
"4135163","27.9529","0.0009","27.9529","0.0009","10.1479","0.0003","90","","90","","120","","6866.9","0.4","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C10.22 H11.29 N3 O3 Zn -","- C10.222 H11.296 N3 O3 Zn -","- C183.996 H203.328 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0665","0.0587","","","0.1632","0.1679","","","","","","1.108","","","","has coordinates,has disorder","255516","2020-10-21","18:00:00",""
"4135164","28.7263","0.0009","28.7263","0.0009","10.1348","0.0004","90","","90","","120","","7242.8","0.4","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C8.38 H10.55 N3.79 O3.79 Zn -","- C8.382 H10.558 N3.794 O3.794 Zn -","- C150.876 H190.044 N68.292 O68.292 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0652","0.0584","","","0.1639","0.1689","","","","","","1.101","","","","has coordinates,has disorder","255517","2020-10-21","18:00:00",""
"4135165","27.0471","0.0011","27.0471","0.0011","10.1495","0.0004","90","","90","","120","","6430.1","0.4","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C8.93 H10.85 N3 O3.73 Zn -","- C8.924 H10.848 N3 O3.731 Zn -","- C160.632 H195.264 N54 O67.158 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0578","0.0559","","","0.1467","0.1477","","","","","","1.128","","","","has coordinates","255518","2020-10-21","18:00:00",""
"4135166","28.659","0.0013","28.659","0.0013","10.1251","0.0004","90","","90","","120","","7202","0.5","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7.83 H8.66 N3 O3.21 Zn -","- C7.84 H8.68 N3 O3.21 Zn -","- C141.12 H156.24 N54 O57.78 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0795","0.078","","","0.2249","0.2261","","","","","","1.142","","","","has coordinates,has disorder","255519","2020-10-21","18:00:00",""
"4135167","28.2634","0.0009","28.2634","0.0009","10.1714","0.0003","90","","90","","120","","7036.6","0.4","150","","150","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","","0.71073","MoKα","","0.0532","0.0492","","","0.1626","0.1664","","","","","","1.099","","","","has coordinates","255520","2020-10-21","18:00:00",""
"4135168","26.5317","0.0007","26.5317","0.0007","10.1159","0.0002","90","","90","","120","","6166.9","0.3","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C11.25 H12 N3 O3 Zn -","- C11.2497 H11.9996 N3 O3 Zn -","- C202.495 H215.993 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.047","0.0446","","","0.1184","0.1198","","","","","","1.037","","","","has coordinates,has disorder","255521","2020-10-21","18:00:00",""
"4135169","26.3829","0.001","26.3829","0.001","10.1215","0.0004","90","","90","","120","","6101.3","0.4","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C8.96 H9.44 N4.48 O3 Zn -","- C8.96 H9.44 N4.48 O3 Zn -","- C161.28 H169.92 N80.64 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0559","0.0477","","","0.1122","0.116","","","","","","1.032","","","","has coordinates,has disorder","255522","2020-10-21","18:00:00",""
"4135170","28.8656","0.001","28.8656","0.001","10.1277","0.0003","90","","90","","120","","7308.1","0.4","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C9.73 H13.38 N3.91 O3.91 Zn -","- C9.733 H13.377 N3.911 O3.911 Zn -","- C175.194 H240.786 N70.398 O70.398 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0856","0.0633","","","0.1596","0.1723","","","","","","1.066","","","","has coordinates,has disorder","255523","2020-10-21","18:00:00",""
"4135171","28.0844","0.0006","28.0844","0.0006","10.1209","0.0002","90","","90","","120","","6913.2","0.2","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C7.94 H9.67 N3 O3.78 Zn -","- C7.94 H9.656 N3 O3.776 Zn -","- C142.92 H173.808 N54 O67.968 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0444","0.042","","","0.13","0.1324","","","","","","1.182","","","","has coordinates,has disorder","255524","2020-10-21","18:00:00",""
"4135172","28.2673","0.0009","28.2673","0.0009","10.1143","0.0002","90","","90","","120","","6999","0.3","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0847","0.0692","","","0.1922","0.2018","","","","","","1.136","","","","has coordinates","255525","2020-10-21","18:00:00",""
"4135173","27.8332","0.0003","27.8332","0.0003","10.14011","0.00014","90","","90","","120","","6802.99","0.14","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C8.9 H9.85 N3.95 O3 Zn -","- C8.899 H9.8485 N3.9495 O3 Zn -","- C160.182 H177.273 N71.091 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0383","0.0371","","","0.1149","0.1158","","","","","","1.087","","","","has coordinates,has disorder","255526","2020-10-21","18:00:00",""
"4135174","28.3977","0.0008","28.3977","0.0008","10.1062","0.0002","90","","90","","120","","7058.1","0.3","100","","100","","","","","","","","","6","R 3 :H","R 3","146","","","","- C8.54 H11.62 N3 O3.77 S0.77 Zn -","- C8.548 H11.644 N3 O3.774 S0.774 Zn -","- C153.864 H209.592 N54 O67.932 S13.932 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0942","0.0761","","","0.2156","0.2273","","","","","","1.043","","","","has coordinates,has disorder","255527","2020-10-21","18:00:00",""
"4135175","27.0749","0.0011","27.0749","0.0011","10.1437","0.0004","90","","90","","120","","6439.6","0.4","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C9.79 H9.73 N3 O3 Zn -","- C9.784 H9.73 N3 O3 Zn -","- C176.112 H175.14 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0608","0.057","","","0.1509","0.1538","","","","","","1.096","","","","has coordinates,has disorder","255528","2020-10-21","18:00:00",""
"4135176","24.035","0.003","24.035","0.003","10.2251","0.0005","90","","90","","120","","5115.5","0.9","195","","195","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.6889","synchrotron","","0.1019","0.0857","","","0.2207","0.2345","","","","","","1.062","","","","has coordinates","255529","2020-10-21","18:00:00",""
"4135177","27.9972","0.0004","27.9972","0.0004","10.18666","0.00017","90","","90","","120","","6914.99","0.18","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0271","0.0258","","","0.064","0.0645","","","","","","1.05","","","","has coordinates","255530","2020-10-21","18:00:00",""
"4135178","28.3178","0.0004","28.3178","0.0004","10.1489","0.0002","90","","90","","120","","7048","0.2","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C8.97 H10.94 N3 O3.66 Zn -","- C8.9755 H10.951 N3 O3.6585 Zn -","- C161.559 H197.118 N54 O65.853 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0501","0.0474","","","0.1425","0.1446","","","","","","1.12","","","","has coordinates,has disorder","255531","2020-10-21","18:00:00",""
"4135179","29.5677","0.0011","29.5677","0.0011","10.1237","0.0003","90","","90","","120","","7664.9","0.5","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C13.24 H12.24 N3 O3 Zn -","- C13.236 H12.236 N3 O3 Zn -","- C238.248 H220.248 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0767","0.0604","","","0.1459","0.1549","","","","","","1.071","","","","has coordinates,has disorder","255532","2020-10-21","18:00:00",""
"4135180","28.6845","0.0007","28.6845","0.0007","10.1435","0.0002","90","","90","","120","","7227.9","0.3","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7.54 H8.09 N3 O3.27 Zn -","- C7.542 H8.084 N3 O3.271 Zn -","- C135.756 H145.512 N54 O58.878 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0861","0.0718","","","0.1981","0.2103","","","","","","1.085","","","","has coordinates,has disorder","255533","2020-10-21","18:00:00",""
"4135181","28.1677","0.0004","28.1677","0.0004","10.1579","0.0001","90","","90","","120","","6979.71","0.16","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C10.53 H11.41 N3 O3 Zn -","- C10.532 H11.415 N3 O3 Zn -","- C189.576 H205.47 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0428","0.0396","","","0.1128","0.1151","","","","","","1.125","","","","has coordinates,has disorder","255534","2020-10-21","18:00:00",""
"4135182","28.1768","0.0004","28.1768","0.0004","10.1733","0.0001","90","","90","","120","","6994.81","0.16","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0479","0.0463","","","0.1575","0.1594","","","","","","1.158","","","","has coordinates","255535","2020-10-21","18:00:00",""
"4135183","27.7361","0.0009","27.7361","0.0009","10.1353","0.0003","90","","90","","120","","6752.4","0.4","150","","150","","","","","","","","","6","R 3 :H","R 3","146","","","","- C7.69 H8.37 Cl1.37 N3 O3 Zn -","- C7.6835 H8.367 Cl1.367 N3 O3 Zn -","- C138.303 H150.606 Cl24.606 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","","0.71073","MoKα","","0.0756","0.0662","","","0.187","0.1953","","","","","","1.08","","","","has coordinates,has disorder","255536","2020-10-21","18:00:00",""
"4135184","28.9145","0.0003","28.9145","0.0003","10.1521","0.0001","90","","90","","120","","7350.52","0.13","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0577","0.0546","","","0.1767","0.1805","","","","","","1.073","","","","has coordinates","255537","2020-10-21","18:00:00",""
"4135185","28.2675","0.0005","28.2675","0.0005","10.1239","0.0002","90","","90","","120","","7005.7","0.2","100","","100","","","","","","","","","6","R 3 :H","R 3","146","","","","- C8.44 H9.16 F2.16 N3 O3.72 Zn -","- C8.439 H9.1585 F2.1585 N3 O3.7195 Zn -","- C151.902 H164.853 F38.853 N54 O66.951 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0678","0.057","","","0.1622","0.1702","","","","","","1.095","","","","has coordinates,has disorder","255538","2020-10-21","18:00:00",""
"4135186","28.3671","0.0009","28.3671","0.0009","10.1749","0.0004","90","","90","","120","","7090.7","0.4","150","","150","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","","0.71073","MoKα","","0.0694","0.0572","","","0.1781","0.1877","","","","","","1.099","","","","has coordinates","255539","2020-10-21","18:00:00",""
"4135187","28.8315","0.0004","28.8315","0.0004","10.1304","0.0002","90","","90","","120","","7292.8","0.2","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7.74 H8.77 N3 O3.29 Zn -","- C7.7375 H8.77 N3 O3.295 Zn -","- C139.275 H157.86 N54 O59.31 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0526","0.0495","","","0.1559","0.159","","","","","","1.111","","","","has coordinates,has disorder","255540","2020-10-21","18:00:00",""
"4135188","27.0355","0.0009","27.0355","0.0009","10.1431","0.0004","90","","90","","120","","6420.5","0.4","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C8.01 H9.02 N3 O4.01 Zn -","- C8.016 H9.032 N3 O4.008 Zn -","- C144.288 H162.576 N54 O72.144 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0555","0.0508","","","0.1421","0.1451","","","","","","1.177","","","","has coordinates,has disorder","255541","2020-10-21","18:00:00",""
"4135189","26.583","0.0012","26.583","0.0012","10.1311","0.0004","90","","90","","120","","6200.1","0.5","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C10 H10 N3 O3 Zn -","- C10 H10 N3 O3 Zn -","- C180 H180 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0931","0.0811","","","0.2014","0.2094","","","","","","1.115","","","","has coordinates,has disorder","255542","2020-10-21","18:00:00",""
"4135190","27.4717","0.0008","27.4717","0.0008","10.1111","0.0002","90","","90","","120","","6608.5","0.3","100","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C8.17 H8.25 F3.25 N3 O4.08 Zn -","- C8.166 H8.249 F3.249 N3 O4.083 Zn -","- C146.988 H148.482 F58.482 N54 O73.494 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0702","0.0641","","","0.1839","0.1903","","","","","","1.05","","","","has coordinates,has disorder","255543","2020-10-21","18:00:00",""
"4135191","26.102","0.002","26.102","0.002","10.1291","0.0005","90","","90","","120","","5976.5","0.7","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C6 H5 N3 O3 Zn -","- C6 H5 N3 O3 Zn -","- C108 H90 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.1405","0.1158","","","0.2835","0.2988","","","","","","1.181","","","","has coordinates","255544","2020-10-21","18:00:00",""
"4135192","28.539","0.003","28.539","0.003","10.1528","0.0006","90","","90","","120","","7161.3","1.1","150","","150","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C6 H5 N3 O3 Zn -","- C6 H5 N3 O3 Zn -","- C108 H90 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.1354","0.1092","","","0.2517","0.2676","","","","","","1.131","","","","has coordinates","255545","2020-10-21","18:00:00",""
"4135193","28.5688","0.0005","28.5688","0.0005","10.12978","0.00018","90","","90","","120","","7160","0.2","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C8.5 H10.5 N3.5 O3.5 Zn -","- C8.505 H10.511 N3.501 O3.501 Zn -","- C153.09 H189.198 N63.018 O63.018 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0571","0.0546","","","0.1643","0.1668","","","","","","1.075","","","","has coordinates,has disorder","255546","2020-10-21","18:00:00",""
"4135194","27.7811","0.0008","27.7811","0.0008","10.127","0.0003","90","","90","","120","","6768.8","0.3","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C9.68 H12.35 N3 O4.23 Zn -","- C9.675 H12.35 N3 O4.225 Zn -","- C174.15 H222.3 N54 O76.05 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0675","0.06","","","0.1529","0.1573","","","","","","1.06","","","","has coordinates,has disorder","255547","2020-10-21","18:00:00",""
"4135195","28.1471","0.0004","28.1471","0.0004","10.16708","0.00014","90","","90","","120","","6975.8","0.17","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C8.26 H8.44 N3 O3 Zn -","- C8.26 H8.44 N3 O3 Zn -","- C148.68 H151.92 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0511","0.0483","","","0.1513","0.154","","","","","","1.064","","","","has coordinates","255548","2020-10-21","18:00:00",""
"4135196","26.5867","0.0014","26.5867","0.0014","10.1323","0.0004","90","","90","","120","","6202.5","0.5","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C9.5 H9 N3 O3 Zn -","- C9.5 H9 N3 O3 Zn -","- C171 H162 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0638","0.0586","","","0.1564","0.1598","","","","","","1.103","","","","has coordinates,has disorder","255549","2020-10-21","18:00:00",""
"4135197","26.5411","0.0014","26.5411","0.0014","10.1419","0.0004","90","","90","","120","","6187.1","0.5","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C9 H8 N3 O3 Zn -","- C9 H8 N3 O3 Zn -","- C162 H144 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0755","0.0641","","","0.1487","0.155","","","","","","1.06","","","","has coordinates,has disorder","255550","2020-10-21","18:00:00",""
"4135198","28.0952","0.0014","28.0952","0.0014","10.1517","0.0005","90","","90","","120","","6939.6","0.6","100","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C7.51 H9.54 N3 O3.76 S0.76 Zn -","- C7.512 H9.536 N3 O3.756 S0.756 Zn -","- C135.216 H171.648 N54 O67.608 S13.608 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0852","0.0752","","","0.2169","0.2268","","","","","","1.061","","","","has coordinates,has disorder","255551","2020-10-21","18:00:00",""
"4135199","27.1513","0.0006","27.1513","0.0006","10.1334","0.0002","90","","90","","120","","6469.4","0.2","100","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C6.84 H6.68 Cl1.68 N3 O3 Zn -","- C6.842 H6.684 Cl1.684 N3 O3 Zn -","- C123.156 H120.312 Cl30.312 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0741","0.0726","","","0.2109","0.2127","","","","","","1.076","","","","has coordinates","255552","2020-10-21","18:00:00",""
"4135200","26.4227","0.0007","26.4227","0.0007","10.1231","0.0002","90","","90","","120","","6120.7","0.3","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C10.82 H11.03 N3 O3 Zn -","- C10.8 H11 N3 O3 Zn -","- C194.4 H198 N54 O54 Zn18 -","18","1","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0617","0.0585","","","0.1565","0.1596","","","","","","1.083","","","","has coordinates","255554","2020-10-21","18:00:00",""
"4135201","28.1915","0.0006","28.1915","0.0006","10.2028","0.0002","90","","90","","120","","7022.4","0.3","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C12.78 H12.78 N3 O3 Zn -","- C12.715 H12.715 N3 O3 Zn -","- C228.87 H228.87 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0528","0.0477","","","0.136","0.1404","","","","","","1.01","","","","has coordinates,has disorder","255555","2020-10-21","18:00:00",""
"4135202","40.5456","0.0007","40.546","","19.6333","0.0004","90","","90","","120","","27952.2","0.7","100","2","99.98","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C96 H52 O36 Zr6 -","- C96 H52 O36 Zr6 -","- C288 H156 O108 Zr18 -","3","0.125","","Pang, Jiandong; Di, Zhengyi; Qin, Jun-Sheng; Yuan, Shuai; Lollar, Christina T.; Li, Jialuo; Zhang, Peng; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Precisely Embedding Active Sites into a Mesoporous Zr-Framework through Linker Installation for High-Efficiency Photocatalysis.","Journal of the American Chemical Society","2020","142","35","15020","15026","10.1021/jacs.0c05758","","","1.54184","CuKα","","0.0612","0.0477","","","0.1471","0.1547","","","","","","1.079","","","","has coordinates","255870","2020-10-21","18:00:00",""
"4135203","41.321","0.004","41.321","","19.208","0.002","90","","90","","120","","28402","4","293","2","293.38","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C14.25 H10 F1.5 O4.5 Zr0.75 -","- C13.75 H8.5 O4.5 Zr0.75 -","- C330 H204 O108 Zr18 -","24","1","","Pang, Jiandong; Di, Zhengyi; Qin, Jun-Sheng; Yuan, Shuai; Lollar, Christina T.; Li, Jialuo; Zhang, Peng; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Precisely Embedding Active Sites into a Mesoporous Zr-Framework through Linker Installation for High-Efficiency Photocatalysis.","Journal of the American Chemical Society","2020","142","35","15020","15026","10.1021/jacs.0c05758","","","1.54184","CuKα","","0.0854","0.0589","","","0.1622","0.1712","","","","","","1.107","","","","has coordinates,has disorder","255870","2020-10-21","18:00:00",""
"4135204","40.8928","0.0008","40.893","","19.2023","0.0004","90","","90","","120","","27808.6","0.8","100","2","99.99","","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C14.65 H8.2 Cl0 N0.45 O4.75 Ru0.12 Zr0.75 -","- C14.9 H8 N0.45 O4.75 Ru0.125 Zr0.75 -","- C357.6 H192 N10.8 O114 Ru3 Zr18 -","24","1","","Pang, Jiandong; Di, Zhengyi; Qin, Jun-Sheng; Yuan, Shuai; Lollar, Christina T.; Li, Jialuo; Zhang, Peng; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Precisely Embedding Active Sites into a Mesoporous Zr-Framework through Linker Installation for High-Efficiency Photocatalysis.","Journal of the American Chemical Society","2020","142","35","15020","15026","10.1021/jacs.0c05758","","","1.54184","CuKα","","0.1354","0.1002","","","0.3012","0.3272","","","","","","1.108","","","","has coordinates,has disorder","255870","2020-10-21","18:00:00",""
"4135205","14.4913","0.0004","18.099","0.0005","25.5467","0.0007","90","","90","","90","","6700.3","0.3","100","2","100","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C32 H28 N6 O7 Ru -","- C32 H22 N6 O7 Ru -","- C256 H176 N48 O56 Ru8 -","8","1","","Pang, Jiandong; Di, Zhengyi; Qin, Jun-Sheng; Yuan, Shuai; Lollar, Christina T.; Li, Jialuo; Zhang, Peng; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Precisely Embedding Active Sites into a Mesoporous Zr-Framework through Linker Installation for High-Efficiency Photocatalysis.","Journal of the American Chemical Society","2020","142","35","15020","15026","10.1021/jacs.0c05758","","","1.54184","CuKα","","0.0651","0.0632","","","0.1853","0.1865","","","","","","1.185","","","","has coordinates,has disorder","255870","2020-10-21","18:00:00",""
"4135206","12.6771","0.0015","5.6603","0.0007","13.2825","0.0015","90","","112.322","0.0018","90","","881.68","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H15 Br F2 N4 O2 -","- C18 H15 Br F2 N4 O2 -","- C36 H30 Br2 F4 N8 O4 -","2","1","","Levin, Mark D.; Ovian, John M.; Read, Jacquelyne A.; Sigman, Matthew S.; Jacobsen, Eric N.","Catalytic Enantioselective Synthesis of Difluorinated Alkyl Bromides.","Journal of the American Chemical Society","2020","142","35","14831","14837","10.1021/jacs.0c07043","","","0.71073","MoKα","","0.0683","0.0505","","","0.1106","0.1193","","","","","","1.026","","","","has coordinates","255869","2020-10-21","18:00:00",""
"4135207","13.6391","0.0006","7.6769","0.0003","18.8407","0.0008","90","","106.859","0.002","90","","1887.95","0.14","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H13 Br N2 O6 -","- C19 H13 Br N2 O6 -","- C76 H52 Br4 N8 O24 -","4","2","","Huang, Wen-Yu; Lu, Chun-Hua; Ghorai, Samir; Li, Bing; Li, Changkun","Regio- and Enantioselective Allylic Alkylation of Terminal Alkynes by Synergistic Rh/Cu Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08283","","","1.54178","CuKα","","0.0851","0.0516","","","0.1522","0.1715","","","","","","1.026","","","","has coordinates","255665","2020-10-21","18:00:00",""
"4135208","10.5663","0.0007","12.6322","0.0008","22.8317","0.0014","90","","92.385","0.003","90","","3044.8","0.3","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H33 Cu I N2 O2 P -","- C30 H33 Cu I N2 O2 P -","- C120 H132 Cu4 I4 N8 O8 P4 -","4","2","","Huang, Wen-Yu; Lu, Chun-Hua; Ghorai, Samir; Li, Bing; Li, Changkun","Regio- and Enantioselective Allylic Alkylation of Terminal Alkynes by Synergistic Rh/Cu Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08283","","","1.54178","CuKα","","0.1044","0.089","","","0.251","0.2673","","","","","","1.022","","","","has coordinates","255666","2020-10-21","18:00:00",""
"4135209","11.6082","0.0004","12.8385","0.0004","21.5239","0.0007","75.264","0.001","81.793","0.001","65.578","0.001","2822.09","0.16","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C61 H78 N4 O10 -","- C61 H78 N4 O10 -","- C122 H156 N8 O20 -","2","1","","Li, Errui; Jie, Kecheng; Fang, Yu; Cai, Peiyu; Huang, Feihe","Transformation of Nonporous Adaptive Pillar[4]arene[1]quinone Crystals into Fluorescent Crystals via Multi-Step Solid-Vapor Postsynthetic Modification for Fluorescence Turn-on Sensing of Ethylenediamine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07482","","","0.71073","MoKα","","0.0765","0.0645","","","0.1781","0.1871","","","","","","1.039","","","","has coordinates,has disorder","255693","2020-10-21","18:00:00",""
"4135210","12.6366","0.0004","15.8733","0.0006","16.1976","0.0006","66.788","0.001","79.799","0.001","71.514","0.001","2826.85","0.18","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H68 N2 O10 -","- C56 H68 N2 O10 -","- C112 H136 N4 O20 -","2","1","","Li, Errui; Jie, Kecheng; Fang, Yu; Cai, Peiyu; Huang, Feihe","Transformation of Nonporous Adaptive Pillar[4]arene[1]quinone Crystals into Fluorescent Crystals via Multi-Step Solid-Vapor Postsynthetic Modification for Fluorescence Turn-on Sensing of Ethylenediamine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07482","","","0.71073","MoKα","","0.0566","0.0432","","","0.1093","0.1177","","","","","","1.028","","","","has coordinates,has disorder","255694","2020-10-21","18:00:00",""
"4135211","18.7932","0.0011","12.7208","0.0006","24.3108","0.0013","90","","100.886","0.002","90","","5707.3","0.5","170","2","170.01","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C57 H80 N6 O10 -","- C57 H80 N6 O10 -","- C228 H320 N24 O40 -","4","1","","Li, Errui; Jie, Kecheng; Fang, Yu; Cai, Peiyu; Huang, Feihe","Transformation of Nonporous Adaptive Pillar[4]arene[1]quinone Crystals into Fluorescent Crystals via Multi-Step Solid-Vapor Postsynthetic Modification for Fluorescence Turn-on Sensing of Ethylenediamine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07482","","","0.71073","MoKα","","0.1764","0.0974","","","0.2821","0.3422","","","","","","1.03","","","","has coordinates,has disorder","255695","2020-10-21","18:00:00",""
"4135212","13.482","0.0006","17.7729","0.0007","21.1215","0.001","90","","94.377","0.004","90","","5046.3","0.4","170.6","","170.6","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H63 N O10 -","- C53 H63 N O10 -","- C212 H252 N4 O40 -","4","1","","Li, Errui; Jie, Kecheng; Fang, Yu; Cai, Peiyu; Huang, Feihe","Transformation of Nonporous Adaptive Pillar[4]arene[1]quinone Crystals into Fluorescent Crystals via Multi-Step Solid-Vapor Postsynthetic Modification for Fluorescence Turn-on Sensing of Ethylenediamine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07482","","","0.71073","MoKα","","0.103","0.0572","","","0.127","0.1548","","","","","","1.018","","","","has coordinates","255696","2020-10-21","18:00:00",""
"4135213","9.176","0.0002","9.948","0.0002","15.9081","0.0003","90","","99.787","0.001","90","","1431","0.05","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H49 N O3 S Si -","- C25 H49 N O3 S Si -","- C50 H98 N2 O6 S2 Si2 -","2","1","","Nicolaou, K. C.; Krieger, Johannes; Murhade, Ganesh M.; Subramanian, Parthasarathi; Dherange, Balu D.; Vourloumis, Dionisios; Munneke, Stefan; Lin, Baiwei; Gu, Christine; Sarvaiaya, Hetal; Sandoval, Joseph; Zhang, Zhaomei; Aujay, Monette; Purcell, James W.; Gavrilyuk, Julia","Streamlined Symmetrical Total Synthesis of Disorazole B1 and Design, Synthesis, and Biological Investigation of Disorazole Analogues","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07094","","x-ray","1.54178","CuKα","","0.0233","0.0229","","","0.0596","0.06","","","","","","1.038","","","","has coordinates,has disorder","255697","2020-10-21","18:00:00",""
"4135214","10.9661","0.0006","20.2493","0.0011","12.9096","0.0007","90","","102.242","0.002","90","","2801.5","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26.5 H35 Cl Ni O3 P2 S -","- C26.5 H35 Cl Ni O3 P2 S -","- C106 H140 Cl4 Ni4 O12 P8 S4 -","4","1","","Entz, Emily D.; Russell, John; Hooker, Leidy; Neufeldt, Sharon R.","Small Phosphine Ligands Enable Selective Oxidative Addition of Ar-O over Ar-Cl Bonds at Nickel(0).","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06995","","x-ray","0.71073","MoKα","","0.0709","0.0534","","","0.1298","0.1453","","","","","","1.039","","","","has coordinates,has disorder","255718","2020-10-21","18:00:00",""
"4135215","23.011","0.01","16.617","0.009","21.113","0.009","90","","91.04","0.03","90","","8072","7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C95 H96 F12 N2 O5 P2 -","- C95 H96 F12 N2 O5 P2 -","- C380 H384 F48 N8 O20 P8 -","4","1","","Frydrych, Rafał; Lis, Tadeusz; Bury, Wojciech; Cybińska, Joanna; Stępień, Marcin","Feeding a Molecular Squid: A Pliable Nanocarbon Receptor for Electron-Poor Aromatics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07956","","x-ray","0.71073","MoKα","","0.1622","0.0732","","","0.1862","0.2059","","","","","","1.004","","","","has coordinates,has disorder","255758","2020-10-21","18:00:00",""
"4135216","21.8","0.009","18.632","0.008","20.532","0.008","90","","102.05","0.05","90","","8156","6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C97 H96 F12 N2 O5 P2 -","- C97 H96 F12 N2 O5 P2 -","- C388 H384 F48 N8 O20 P8 -","4","1","","Frydrych, Rafał; Lis, Tadeusz; Bury, Wojciech; Cybińska, Joanna; Stępień, Marcin","Feeding a Molecular Squid: A Pliable Nanocarbon Receptor for Electron-Poor Aromatics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07956","","x-ray","1.54184","CuKα","","0.3169","0.1082","","","0.1297","0.168","","","","","","0.875","","","","has coordinates","255759","2020-10-21","18:00:00",""
"4135217","12.027","0.002","16.806","0.003","19.642","0.004","72.1","0.05","84.41","0.04","85.99","0.04","3756.7","1.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C90 H104.4 O8.2 -","- C90 H104.4 O8.2 -","- C180 H208.8 O16.4 -","2","1","","Frydrych, Rafał; Lis, Tadeusz; Bury, Wojciech; Cybińska, Joanna; Stępień, Marcin","Feeding a Molecular Squid: A Pliable Nanocarbon Receptor for Electron-Poor Aromatics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07956","","","1.54184","CuKα","","0.1039","0.0775","","","0.2021","0.2405","","","","","","1.04","","","","has coordinates,has disorder","255760","2020-10-21","18:00:00",""
"4135218","19.335","0.01","20.831","0.011","21.77","0.012","117.13","0.05","97.39","0.05","90.8","0.05","7712","8","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C96.5 H96 O8.5 -","- C96.5 H96 O8.5 -","- C386 H384 O34 -","4","2","","Frydrych, Rafał; Lis, Tadeusz; Bury, Wojciech; Cybińska, Joanna; Stępień, Marcin","Feeding a Molecular Squid: A Pliable Nanocarbon Receptor for Electron-Poor Aromatics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07956","","x-ray","1.54184","CuKα","","0.2597","0.1163","","","0.2483","0.3428","","","","","","1.003","","","","has coordinates,has disorder","255761","2020-10-21","18:00:00",""
"4135219","16.394","0.007","24.705","0.01","18.366","0.007","90","0.03","92.58","0.04","90","0.03","7431","5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C83.2 H84.4 Cl6.4 O4 -","- C83.2 H84.4 Cl6.4 O4 -","- C332.8 H337.6 Cl25.6 O16 -","4","1","","Frydrych, Rafał; Lis, Tadeusz; Bury, Wojciech; Cybińska, Joanna; Stępień, Marcin","Feeding a Molecular Squid: A Pliable Nanocarbon Receptor for Electron-Poor Aromatics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07956","","","1.5418","CuKα","","0.1207","0.1029","","","0.2682","0.2891","","","","","","1.667","","","","has coordinates,has disorder","255762","2020-10-21","18:00:00",""
"4135220","32.979","0.005","18.11","0.003","25.513","0.005","90","","90","","90","","15238","5","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C98 H96 O4 -","- C98 H96 O4 -","- C784 H768 O32 -","8","2","","Frydrych, Rafał; Lis, Tadeusz; Bury, Wojciech; Cybińska, Joanna; Stępień, Marcin","Feeding a Molecular Squid: A Pliable Nanocarbon Receptor for Electron-Poor Aromatics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07956","","","1.54184","CuKα","","0.1053","0.0827","","","0.2146","0.2355","","","","","","1.09","","","","has coordinates,has disorder","255763","2020-10-21","18:00:00",""
"4135221","30.2999","0.0014","32.5605","0.0013","34.8099","0.0018","90","","90","","90","","34343","3","150","0.1","150","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C224 H388 Cr15 F17 N4 Ni4 O77 S2 -","- C224 H388 Cr15 F17 N4 Ni4 O77 S2 -","- C896 H1552 Cr60 F68 N16 Ni16 O308 S8 -","4","1","","Lockyer, Selena J.; Nawaz, Selina; Brookfield, Adam; Fielding, Alistair J.; Vitorica-Yrezabal, Inigo J; Timco, Grigore A.; Burton, Neil A.; Bowen, Alice M.; Winpenny, Richard E. P.; McInnes, Eric J. L.","Conformational flexibility of hybrid [3]- and [4]-rotaxanes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06547","","","1.54184","CuKα","","0.1921","0.1808","","","0.4311","0.4414","","","","","","1.888","","","","has coordinates","255839","2020-10-21","18:00:00",""
"4135222","30.139","0.0006","52.7563","0.0009","30.1676","0.0008","90","","90","","90","","47967.2","1.8","150.01","0.11","150.01","0.11","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C315 H543 Cr27 F24 N6 O109 S3 -","- C315 H543 Cr27 F24 N6 O109 S3 -","- C1260 H2172 Cr108 F96 N24 O436 S12 -","4","0.5","","Lockyer, Selena J.; Nawaz, Selina; Brookfield, Adam; Fielding, Alistair J.; Vitorica-Yrezabal, Inigo J; Timco, Grigore A.; Burton, Neil A.; Bowen, Alice M.; Winpenny, Richard E. P.; McInnes, Eric J. L.","Conformational flexibility of hybrid [3]- and [4]-rotaxanes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06547","","x-ray","0.71073","MoKα","","0.1879","0.1471","","","0.3688","0.4074","","","","","","1.365","","","","has coordinates,has disorder","255840","2020-10-21","18:00:00",""
"4135223","6.7374","0.0006","13.1786","0.0013","14.477","0.0012","75.796","0.004","82.956","0.004","78.182","0.004","1216.14","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","jwjcop1","","","- C51 H58 B2 Cl2 F4 N6 Pd2 -","- C51 H58 B2 Cl2 F4 N6 Pd2 -","- C51 H58 B2 Cl2 F4 N6 Pd2 -","1","0.5","","Morstein, Johannes; Höfler, Denis; Ueno, Kohei; Jurss, Jonah W.; Walvoord, Ryan R.; Bruemmer, Kevin J.; Rezgui, Samir P.; Brewer, Thomas F.; Saitoe, Minoru; Michel, Brian W.; Chang, Christopher J.","Ligand-Directed Approach to Activity-Based Sensing: Developing Palladacycle Fluorescent Probes That Enable Endogenous Carbon Monoxide Detection.","Journal of the American Chemical Society","2020","142","37","15917","15930","10.1021/jacs.0c06405","","","0.71073","MoKα","","0.0379","0.0312","","","0.0622","0.0656","","","","","","1.036","","","","has coordinates,has disorder","257116","2020-10-21","18:00:00",""
"4135224","17.1369","0.0008","12.7322","0.0006","12.0144","0.0005","90","","103.187","0.002","90","","2552.3","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","cop1_py","","","- C27 H30 B Cl F2 N4 Pd -","- C27 H30 B Cl F2 N4 Pd -","- C108 H120 B4 Cl4 F8 N16 Pd4 -","4","1","","Morstein, Johannes; Höfler, Denis; Ueno, Kohei; Jurss, Jonah W.; Walvoord, Ryan R.; Bruemmer, Kevin J.; Rezgui, Samir P.; Brewer, Thomas F.; Saitoe, Minoru; Michel, Brian W.; Chang, Christopher J.","Ligand-Directed Approach to Activity-Based Sensing: Developing Palladacycle Fluorescent Probes That Enable Endogenous Carbon Monoxide Detection.","Journal of the American Chemical Society","2020","142","37","15917","15930","10.1021/jacs.0c06405","","","0.71073","MoKα","","0.0215","0.0205","","","0.056","0.0567","","","","","","1.06","","","","has coordinates","257116","2020-10-21","18:00:00",""
"4135225","6.815","","7.825","","20.231","0.001","98.326","0.002","91.92","0.002","100.133","0.002","1048.92","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","rxnCOP1","","","- C23 H26 B F2 N3 O2 -","- C23 H26 B F2 N3 O2 -","- C46 H52 B2 F4 N6 O4 -","2","1","","Morstein, Johannes; Höfler, Denis; Ueno, Kohei; Jurss, Jonah W.; Walvoord, Ryan R.; Bruemmer, Kevin J.; Rezgui, Samir P.; Brewer, Thomas F.; Saitoe, Minoru; Michel, Brian W.; Chang, Christopher J.","Ligand-Directed Approach to Activity-Based Sensing: Developing Palladacycle Fluorescent Probes That Enable Endogenous Carbon Monoxide Detection.","Journal of the American Chemical Society","2020","142","37","15917","15930","10.1021/jacs.0c06405","","","0.71073","MoKα","","0.0453","0.038","","","0.0928","0.0984","","","","","","1.03","","","","has coordinates","257116","2020-10-21","18:00:00",""
"4135226","18.123","0.003","9.381","0.002","12.241","0.003","90","","119.36","0.02","90","","1813.8","0.8","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H35 Li N2 -","- C19 H35 Li N2 -","- C76 H140 Li4 N8 -","4","1","","Münch, Annika; Knauer, Lena; Ott, Holger; Sindlinger, Christian; Herbst-Irmer, Regine; Strohmann, Carsten; Stalke, Dietmar","Insight into the Bonding and Aggregation of Alkyllithiums by Experimental Charge Density Studies and Energy Decomposition Analyses.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06035","","","0.71073","MoKα","","0.029","0.029","","","","0.034","","","","","","2.36","","","","has coordinates","255844","2020-10-21","18:00:00",""
"4135227","8.389","0.002","11.624","0.002","13.213","0.003","114.52","0.03","95.98","0.02","91.19","0.02","1163","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H44 Li2 N2 -","- C22 H44 Li2 N2 -","- C44 H88 Li4 N4 -","2","1","","Münch, Annika; Knauer, Lena; Ott, Holger; Sindlinger, Christian; Herbst-Irmer, Regine; Strohmann, Carsten; Stalke, Dietmar","Insight into the Bonding and Aggregation of Alkyllithiums by Experimental Charge Density Studies and Energy Decomposition Analyses.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06035","","","0.71073","MoKα","","0.022","0.022","","","","0.017","","","","","","1.817","","","","has coordinates","255845","2020-10-21","18:00:00",""
"4135228","22.246","0.003","9.093","0.002","17.511","0.002","90","","126.51","0.02","90","","2847","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H54 Li4 N2 -","- C26 H54 Li4 N2 -","- C104 H216 Li16 N8 -","4","0.5","","Münch, Annika; Knauer, Lena; Ott, Holger; Sindlinger, Christian; Herbst-Irmer, Regine; Strohmann, Carsten; Stalke, Dietmar","Insight into the Bonding and Aggregation of Alkyllithiums by Experimental Charge Density Studies and Energy Decomposition Analyses.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06035","","","0.71073","MoKα","","0.023","0.023","","","","0.04","","","","","","5.763","","","","has coordinates","255846","2020-10-21","18:00:00",""
"4135229","12.1264","0.0003","9.0714","0.0002","20.8156","0.0006","90","","95.4095","0.001","90","","2279.59","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","NT2","","","- C17 H30 Br F6 N3 Ni -","- C17 H30 Br F6 N3 Ni -","- C68 H120 Br4 F24 N12 Ni4 -","4","1","","Till, Nicholas A.; Tian, Lei; Dong, Zhe; Scholes, Gregory D.; MacMillan, David W. C.","Mechanistic Analysis of Metallaphotoredox C-N Coupling: Photocatalysis Initiates and Perpetuates Ni(I)/Ni(III) Coupling Activity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05901","","","1.54178","CuKα","","0.0387","0.0349","","","0.0823","0.0843","","","","","","1.155","","","","has coordinates,has disorder","255847","2020-10-21","18:00:00",""
"4135230","9.485","0.0003","23.4562","0.0007","8.9525","0.0002","90","","110.58","0.0014","90","","1864.67","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NT1","","","- C14 H21 Br F6 N2 Ni -","- C14 H21 Br F6 N2 Ni -","- C56 H84 Br4 F24 N8 Ni4 -","4","1","","Till, Nicholas A.; Tian, Lei; Dong, Zhe; Scholes, Gregory D.; MacMillan, David W. C.","Mechanistic Analysis of Metallaphotoredox C-N Coupling: Photocatalysis Initiates and Perpetuates Ni(I)/Ni(III) Coupling Activity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05901","","","1.54178","CuKα","","0.0374","0.0314","","","0.0715","0.0747","","","","","","1.133","","","","has coordinates,has disorder","255848","2020-10-21","18:00:00",""
"4135231","11.3083","0.0005","22.6701","0.0011","7.3209","0.0003","90","","100.676","0.0018","90","","1844.3","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NT3","","","- C16 H21 Br F6 N2 Ni -","- C16 H21 Br F6 N2 Ni -","- C64 H84 Br4 F24 N8 Ni4 -","4","1","","Till, Nicholas A.; Tian, Lei; Dong, Zhe; Scholes, Gregory D.; MacMillan, David W. C.","Mechanistic Analysis of Metallaphotoredox C-N Coupling: Photocatalysis Initiates and Perpetuates Ni(I)/Ni(III) Coupling Activity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05901","","","0.71073","MoKα","","0.0492","0.0329","","","0.0675","0.0719","","","","","","1.064","","","","has coordinates,has disorder","255849","2020-10-21","18:00:00",""
"4135232","11.7169","0.0015","13.0843","0.0017","13.9715","0.0018","110.79","0.002","94.411","0.002","96.326","0.002","1974.7","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H35 Cl3 N4 O3 -","- C46 H35 Cl3 N4 O3 -","- C92 H70 Cl6 N8 O6 -","2","1","","Ma, Chun; Sheng, Feng-Tao; Wang, Hai-Qing; Deng, Shuang; Zhang, Yu-Chen; Jiao, Yinchun; Tan, Wei; Shi, Feng","Atroposelective Access to Oxindole-Based Axially Chiral Styrenes via the Strategy of Catalytic Kinetic Resolution.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00208","","","0.71073","MoKα","","0.0901","0.0637","","","0.1785","0.2009","","","","","","1.045","","","","has coordinates","255850","2020-10-21","18:00:00",""
"4135233","11.9932","0.0003","12.6212","0.0003","17.8528","0.0004","86.402","0.001","87.426","0.001","65.937","0.001","2462.09","0.1","170","2","170","","","","","","","","","4","P 1","P 1","1","","","","- C30 H23 N3 O -","- C30 H23 N3 O -","- C120 H92 N12 O4 -","4","4","","Ma, Chun; Sheng, Feng-Tao; Wang, Hai-Qing; Deng, Shuang; Zhang, Yu-Chen; Jiao, Yinchun; Tan, Wei; Shi, Feng","Atroposelective Access to Oxindole-Based Axially Chiral Styrenes via the Strategy of Catalytic Kinetic Resolution.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00208","","","1.34139","GaKα","","0.0454","0.0435","","","0.1186","0.1207","","","","","","1.042","","","","has coordinates","255851","2020-10-21","18:00:00",""
"4135234","5.5291","0.0002","9.2918","0.0004","31.0756","0.0012","90","","90","","90","","1596.52","0.11","123","2","123.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl O2 S -","- C17 H17 Cl O2 S -","- C68 H68 Cl4 O8 S4 -","4","1","","Zhang, Qinglong; Dong, Dongfang; Zi, Weiwei","Palladium-Catalyzed Regio- and Enantioselective Hydrosulfonylation of 1,3-Dienes with Sulfinic Acids: Scope, Mechanism, and Origin of Selectivity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05976","","x-ray","0.71073","MoKα","","0.0403","0.0354","","","0.083","0.087","","","","","","1.01","","","","has coordinates","255901","2020-10-21","18:00:00",""
"4135235","11.2473","0.0019","12.2989","0.0014","12.6264","0.0018","71.197","0.006","67.507","0.004","70.565","0.004","1483.2","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H15 F26 N -","- C25 H15 F26 N -","- C50 H30 F52 N2 -","2","1","","Lim, Irene; Vian, Antoine; van de Wouw, Heidi; Day, Rachael A.; Gomez, Carlos; Liu, Yucen; Rheingold, Arnold L.; Campas, Otger; Sletten, Ellen M.","Fluorous soluble cyanine dyes for visualizing perfluorocarbons in living systems.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07761","","x-ray","0.71073","MoKα","","0.0607","0.0374","","","0.0775","0.0867","","","","","","1.009","","","","has coordinates","255902","2020-10-21","18:00:00",""
"4135236","16.0766","0.0006","8.861","0.0003","10.0045","0.0004","90","","90","","90","","1425.19","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C72 H60 Br4 O8 -","4","1","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0203","0.0187","","","0.0459","0.0463","","","","","","0.98","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135237","16.8492","0.0009","8.7623","0.0004","19.0314","0.001","90","","100.588","0.005","90","","2761.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","2","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.7107","MoKα","","0.059","0.0442","","","0.1171","0.1257","","","","","","1.041","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135238","9.3491","0.0004","9.3991","0.0004","18.1237","0.0008","90","","96.9317","0.0012","90","","1580.95","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 O2 -","- C21 H16 O2 -","- C84 H64 O8 -","4","1","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0594","0.0467","","","0.121","0.1288","","","","","","1.03","","","","has coordinates,has disorder","257121","2020-10-21","18:00:00",""
"4135239","10.7611","0.0015","8.0387","0.0006","26.664","0.003","90","","92.145","0.004","90","","2305","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 Br N2 Ni -","- C26 H31 Br N2 Ni -","- C104 H124 Br4 N8 Ni4 -","4","1","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0603","0.0344","","","0.0639","0.0707","","","","","","1.023","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135240","13.8725","0.0009","12.4952","0.0007","15.8443","0.0009","90","","90","","90","","2746.4","0.3","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C50 H40 Br4 Cl4 F12 N8 Ni2 -","- C50 H40 Br4 Cl4 F12 N8 Ni2 -","- C100 H80 Br8 Cl8 F24 N16 Ni4 -","2","0.25","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0686","0.0626","","","0.1515","0.1538","","","","","","1.203","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135241","8.656","0.0008","11.3735","0.0008","27.925","0.002","90","","90","","90","","2749.2","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","1","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0834","0.0607","","","0.1564","0.1745","","","","","","1.03","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135242","13.8194","0.0013","15.7357","0.0015","14.0798","0.0013","90","","115.166","0.002","90","","2771.1","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H37 B Br N7 O P W -","- C21 H37 B Br N7 O P W -","- C84 H148 B4 Br4 N28 O4 P4 W4 -","4","1","","Smith, Jacob A.; Schouten, Anna; Wilde, Justin H.; Westendorff, Karl S.; Dickie, Diane A.; Ess, Daniel H.; Harman, W. Dean","Experiments and Direct Dynamics Simulations that Probe η2-Arene/Aryl-Hydride Equilibria of Tungsten Benzene Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08032","","","0.71073","MoKα","","0.043","0.0253","","","0.0518","0.0595","","","","","","1.062","","","","has coordinates,has disorder","256359","2020-10-21","18:00:00",""
"4135243","41.31","0.0019","41.31","0.0019","11.032","0.003","90","","90","","120","","16304","5","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C28 H45 B N7 O2 P W -","- C28 H45 B N7 O2 P W -","- C504 H810 B18 N126 O36 P18 W18 -","18","1","","Smith, Jacob A.; Schouten, Anna; Wilde, Justin H.; Westendorff, Karl S.; Dickie, Diane A.; Ess, Daniel H.; Harman, W. Dean","Experiments and Direct Dynamics Simulations that Probe η2-Arene/Aryl-Hydride Equilibria of Tungsten Benzene Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08032","","","0.71073","MoKα","","0.0811","0.0472","","","0.0867","0.0962","","","","","","1.008","","","","has coordinates,has disorder","256359","2020-10-21","18:00:00",""
"4135244","14.2624","0.0017","24.788","0.003","10.7571","0.0011","90","","99.649","0.003","90","","3749.2","0.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H54 B F3 N7 O P W -","- C32.993 H53.995 B F2.997 N7 O P W -","- C131.972 H215.98 B4 F11.988 N28 O4 P4 W4 -","4","1","","Smith, Jacob A.; Schouten, Anna; Wilde, Justin H.; Westendorff, Karl S.; Dickie, Diane A.; Ess, Daniel H.; Harman, W. Dean","Experiments and Direct Dynamics Simulations that Probe η2-Arene/Aryl-Hydride Equilibria of Tungsten Benzene Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08032","","","0.71073","MoKα","","0.1046","0.0491","","","0.0861","0.1008","","","","","","0.965","","","","has coordinates,has disorder","256359","2020-10-21","18:00:00",""
"4135245","11.465","0.002","11.7033","0.0018","13.76","0.002","66.976","0.004","89.73","0.004","88.613","0.004","1698.7","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H41 B F6 N7 O P W -","- C29 H41 B F6 N7 O P W -","- C58 H82 B2 F12 N14 O2 P2 W2 -","2","1","","Smith, Jacob A.; Schouten, Anna; Wilde, Justin H.; Westendorff, Karl S.; Dickie, Diane A.; Ess, Daniel H.; Harman, W. Dean","Experiments and Direct Dynamics Simulations that Probe η2-Arene/Aryl-Hydride Equilibria of Tungsten Benzene Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08032","","","0.71073","MoKα","","0.1363","0.0701","","","0.1267","0.1523","","","","","","1.045","","","","has coordinates,has disorder","256359","2020-10-21","18:00:00",""
"4135246","11.9475","0.0005","15.6261","0.0006","16.6514","0.0008","90","","94.128","0.001","90","","3100.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H47 B N7 O P W -","- C27 H47 B N7 O P W -","- C108 H188 B4 N28 O4 P4 W4 -","4","1","","Smith, Jacob A.; Schouten, Anna; Wilde, Justin H.; Westendorff, Karl S.; Dickie, Diane A.; Ess, Daniel H.; Harman, W. Dean","Experiments and Direct Dynamics Simulations that Probe η2-Arene/Aryl-Hydride Equilibria of Tungsten Benzene Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08032","","","0.71073","MoKα","","0.042","0.0266","","","0.0498","0.0538","","","","","","1.018","","","","has coordinates","256359","2020-10-21","18:00:00",""
"4135247","13.1384","0.0015","14.6742","0.0017","21.777","0.003","97.443","0.004","93.751","0.004","97.774","0.004","4110.1","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H110 B2 F6 N14 O7 P2 W2 -","- C69 H110 B2 F6 N14 O7 P2 W2 -","- C138 H220 B4 F12 N28 O14 P4 W4 -","2","1","","Smith, Jacob A.; Schouten, Anna; Wilde, Justin H.; Westendorff, Karl S.; Dickie, Diane A.; Ess, Daniel H.; Harman, W. Dean","Experiments and Direct Dynamics Simulations that Probe η2-Arene/Aryl-Hydride Equilibria of Tungsten Benzene Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08032","","","0.71073","MoKα","","0.1082","0.0489","","","0.0858","0.1016","","","","","","0.99","","","","has coordinates,has disorder","256359","2020-10-21","18:00:00",""
"4135248","32.3336","0.001","33.9663","0.0008","51.4808","0.0015","90","","90","","90","","56539","3","209","100","209","100","","","","","","","","3","F 2 2 2","F 2 2","22","","","","- C216 H200 N24 -","- C216 H200 N24 -","- C1728 H1600 N192 -","8","0.5","","Qu, Hang; Huang, Zheyu; Dong, Xue; Wang, Xinchang; Tang, Xiao; Li, Zhihao; Gao, Wenbin; Liu, Haoliang; Huang, Ruishan; Zhao, Zujin; Zhang, Hui; Yang, Liulin; Tian, Zhongqun; Cao, Xiaoyu","Truncated Face-Rotating Polyhedra Constructed from Pentagonal Pentaphenylpyrrole through Graph Theory.","Journal of the American Chemical Society","2020","142","38","16223","16228","10.1021/jacs.0c08243","","x-ray","1.54184","CuKα","","0.0973","0.0421","","","0.1162","0.1419","","","","","","0.881","","","","has coordinates","257122","2020-10-21","18:00:00",""
"4135249","32.3016","0.001","34.0393","0.0011","50.8944","0.0014","90","","90","","90","","55960","3","295","1","295","1","","","","","","","","3","F 2 2 2","F 2 2","22","","","","- C216 H200 N24 -","- C216 H200 N24 -","- C1728 H1600 N192 -","8","0.5","","Qu, Hang; Huang, Zheyu; Dong, Xue; Wang, Xinchang; Tang, Xiao; Li, Zhihao; Gao, Wenbin; Liu, Haoliang; Huang, Ruishan; Zhao, Zujin; Zhang, Hui; Yang, Liulin; Tian, Zhongqun; Cao, Xiaoyu","Truncated Face-Rotating Polyhedra Constructed from Pentagonal Pentaphenylpyrrole through Graph Theory.","Journal of the American Chemical Society","2020","142","38","16223","16228","10.1021/jacs.0c08243","","x-ray","1.54184","CuKα","","0.0596","0.0426","","","0.1238","0.1368","","","","","","0.975","","","","has coordinates","257122","2020-10-21","18:00:00",""
"4135250","10.5727","0.0002","9.663","0.0002","38.7804","0.0006","90","","91.267","0.002","90","","3960.99","0.13","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H25 N O5 -","- C39 H25 N O5 -","- C156 H100 N4 O20 -","4","1","","Qu, Hang; Huang, Zheyu; Dong, Xue; Wang, Xinchang; Tang, Xiao; Li, Zhihao; Gao, Wenbin; Liu, Haoliang; Huang, Ruishan; Zhao, Zujin; Zhang, Hui; Yang, Liulin; Tian, Zhongqun; Cao, Xiaoyu","Truncated Face-Rotating Polyhedra Constructed from Pentagonal Pentaphenylpyrrole through Graph Theory.","Journal of the American Chemical Society","2020","142","38","16223","16228","10.1021/jacs.0c08243","","x-ray","1.54184","CuKα","","0.0902","0.0854","","","0.2274","0.2316","","","","","","1.072","","","","has coordinates,has disorder","257122","2020-10-21","18:00:00",""
"4135251","31.963","0.0017","9.805","0.0005","15.0555","0.0008","90","","112.711","0.003","90","","4352.5","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H25 Br N2 O3 -","- C23 H25 Br N2 O3 -","- C184 H200 Br8 N16 O24 -","8","1","","Chan, Jessica Z.; Yesilcimen, Ahmet; Cao, Min; Zhang, Yuyang; Zhang, Bochao; Wasa, Masayuki","Direct Conversion of <i>N</i>-Alkylamines to <i>N</i>-Propargylamines through C-H Activation Promoted by Lewis Acid/Organocopper Catalysis: Application to Late-Stage Functionalization of Bioactive Molecules.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08599","","","1.54178","CuKα","","0.0826","0.0611","","","0.1753","0.1919","","","","","","1.071","","","","has coordinates,has disorder","256393","2020-10-21","18:00:00",""
"4135252","9.3543","0.0002","9.4109","0.0002","11.0915","0.0003","88.4588","0.0014","70.3721","0.0013","70.9637","0.0013","865.63","0.04","100","","100.02","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 B Br O2 -","- C16 H28 B Br O2 -","- C32 H56 B2 Br2 O4 -","2","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0246","0.0216","","","0.0526","0.0538","","","","","","1.039","","","","has coordinates","257117","2020-10-21","18:00:00",""
"4135253","38.7408","0.0009","6.1921","0.0001","17.4843","0.0004","90","","98.748","0.001","90","","4145.46","0.15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H33 B O3 -","- C23 H33 B O3 -","- C184 H264 B8 O24 -","8","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0482","0.0397","","","0.094","0.0992","","","","","","1.021","","","","has coordinates","257117","2020-10-21","18:00:00",""
"4135254","14.1029","0.0005","11.3545","0.0004","13.1218","0.0005","90","","98.427","0.003","90","","2078.53","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 B O4 -","- C22 H33 B O4 -","- C88 H132 B4 O16 -","4","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0719","0.0499","","","0.146","0.1631","","","","","","1.071","","","","has coordinates,has disorder","257117","2020-10-21","18:00:00",""
"4135255","6.2461","0.0002","6.9103","0.0002","22.7041","0.0006","90","","94.1036","0.0016","90","","977.45","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 O S -","- C11 H12 O S -","- C44 H48 O4 S4 -","4","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0341","0.0305","","","0.0816","0.0839","","","","","","1.05","","","","has coordinates","257117","2020-10-21","18:00:00",""
"4135256","6.6532","0.0002","19.3711","0.0006","28.5231","0.0009","102.053","0.002","91.973","0.002","90.586","0.002","3592.31","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H29 B O4 -","- C17 H29 B O4 -","- C136 H232 B8 O32 -","8","4","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0834","0.0589","","","0.1519","0.1657","","","","","","1.024","","","","has coordinates","257117","2020-10-21","18:00:00",""
"4135257","10.0127","0.0003","11.0765","0.0004","10.3165","0.0004","90","","91.013","0.002","90","","1143.98","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 B O3 -","- C26 H33 B O3 -","- C52 H66 B2 O6 -","2","1","","Bennett, Steven H.; Fawcett, Alexander; Denton, Elliott H.; Biberger, Tobias; Fasano, Valerio; Winter, Nils; Aggarwal, Varinder K.","Difunctionalization of C-C σ-Bonds Enabled by the Reaction of Bicyclo[1.1.0]butyl Boronate Complexes with Electrophiles: Reaction Development, Scope, and Stereochemical Origins.","Journal of the American Chemical Society","2020","142","39","16766","16775","10.1021/jacs.0c07357","","","0.71073","MoKα","","0.0528","0.0417","","","0.0813","0.0868","","","","","","1.015","","","","has coordinates","257117","2020-10-21","18:00:00",""
"4135258","5.7066","0.0004","8.4577","0.0006","30.146","0.002","90","","90","","90","","1454.99","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C60 H76 N4 O16 -","4","1","","Wang, Jian-Cheng; Kan, Xuan; Shang, Jin-Yan; Qiao, Hua; Dong, Yu-Bin","Catalytic Asymmetric Synthesis of Chiral Covalent Organic Frameworks from Prochiral Monomers for Heterogeneous Asymmetric Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07461","","x-ray","1.54178","CuKα","","0.055","0.0432","","","0.104","0.1175","","","","","","1.061","","","","has coordinates","256674","2020-10-21","18:00:00",""
"4135259","5.71444","0.00017","8.4542","0.0003","30.1647","0.0009","90","","90","","90","","1457.29","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C60 H76 N4 O16 -","4","1","","Wang, Jian-Cheng; Kan, Xuan; Shang, Jin-Yan; Qiao, Hua; Dong, Yu-Bin","Catalytic Asymmetric Synthesis of Chiral Covalent Organic Frameworks from Prochiral Monomers for Heterogeneous Asymmetric Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07461","","","1.54184","CuKα","","0.0418","0.0381","","","0.0976","0.0995","","","","","","1.07","","","","has coordinates","256675","2020-10-21","18:00:00",""
"4135260","16.4049","0.0012","16.8227","0.0013","18.9102","0.0014","90","","87.971","0.002","90","","5215.5","0.7","145","","145","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 B Cl2 N Si2 Zr -","- C22 H32 B Cl2 N Si2 Zr -","- C176 H256 B8 Cl16 N8 Si16 Zr8 -","8","2","","Zhang, Hui; Wang, Junyi; Yang, Weiguang; Xiang, Libo; Sun, Weicheng; Ming, Wenbo; Li, Yinxin; Lin, Zhenyang; Ye, Qing","Solution-Phase Synthesis of a Base-Free Benzoborirene and a Three-Dimensional Inorganic Analogue.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06538","","","0.71073","MoKα","","0.1347","0.072","","","0.1531","0.1764","","","","","","1.055","","","","has coordinates","256895","2020-10-21","18:00:00",""
"4135261","9.632","0.0005","10.2599","0.0006","13.7887","0.0007","91.44","0.002","98.925","0.002","99.721","0.002","1324.97","0.12","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H42 B N3 Si2 -","- C23 H42 B N3 Si2 -","- C46 H84 B2 N6 Si4 -","2","1","","Zhang, Hui; Wang, Junyi; Yang, Weiguang; Xiang, Libo; Sun, Weicheng; Ming, Wenbo; Li, Yinxin; Lin, Zhenyang; Ye, Qing","Solution-Phase Synthesis of a Base-Free Benzoborirene and a Three-Dimensional Inorganic Analogue.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06538","","","0.71073","MoKα","","0.0612","0.0427","","","0.0951","0.105","","","","","","1.025","","","","has coordinates","256895","2020-10-21","18:00:00",""
"4135262","9.5798","0.0009","20.813","0.002","10.2723","0.001","90","","107.734","0.003","90","","1950.8","0.3","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H28 B11 N Si2 -","- C8 H28 B11 N Si2 -","- C32 H112 B44 N4 Si8 -","4","1","","Zhang, Hui; Wang, Junyi; Yang, Weiguang; Xiang, Libo; Sun, Weicheng; Ming, Wenbo; Li, Yinxin; Lin, Zhenyang; Ye, Qing","Solution-Phase Synthesis of a Base-Free Benzoborirene and a Three-Dimensional Inorganic Analogue.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06538","","","0.71073","MoKα","","0.0722","0.0465","","","0.1082","0.1214","","","","","","1.034","","","","has coordinates","256895","2020-10-21","18:00:00",""
"4135263","9.6845","0.0005","19.2174","0.0011","16.6527","0.0008","90","","92.683","0.002","90","","3095.9","0.3","104","2","104.02","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H48 B11 N3 Si2 -","- C19 H48 B11 N3 Si2 -","- C76 H192 B44 N12 Si8 -","4","1","","Zhang, Hui; Wang, Junyi; Yang, Weiguang; Xiang, Libo; Sun, Weicheng; Ming, Wenbo; Li, Yinxin; Lin, Zhenyang; Ye, Qing","Solution-Phase Synthesis of a Base-Free Benzoborirene and a Three-Dimensional Inorganic Analogue.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06538","","","0.71073","MoKα","","0.0616","0.056","","","0.153","0.159","","","","","","1.0398","","","","has coordinates","256895","2020-10-21","18:00:00",""
"4135264","30.7532","0.0012","30.7532","0.0012","23.0554","0.0004","90","","90","","90","","21804.9","1.3","123","","123","","","","","","","","","6","I 4","I 4","79","","","","- C356 H208 F168 N24 O64 Tb8 -","- C356 H208 F168 N24 O64 Tb8 -","- C712 H416 F336 N48 O128 Tb16 -","2","0.25","","Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi","Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08229","","","0.71075","MoKα","","0.0659","0.0493","","","0.1079","0.1152","","","","","","1.026","","","","has coordinates,has disorder","256949","2020-10-21","18:00:00",""
"4135265","30.7803","0.0014","30.7803","0.0014","23.1544","0.0005","90","","90","","90","","21937.1","1.5","123","","123","","","","","","","","","6","I 4","I 4","79","","","","- C356 H224 Eu8 F168 N24 O64 -","- C356 H224 Eu8 F168 N24 O64 -","- C712 H448 Eu16 F336 N48 O128 -","2","0.25","","Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi","Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08229","","","0.71075","MoKα","","0.0722","0.0489","","","0.1057","0.1153","","","","","","1.018","","","","has coordinates,has disorder","256950","2020-10-21","18:00:00",""
"4135266","5.0938","0.0003","14.6539","0.001","18.6644","0.0012","80.974","0.006","89.293","0.006","82.793","0.006","1365.03","0.15","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H9 F21 O6 -","- C24 H9 F21 O6 -","- C48 H18 F42 O12 -","2","1","","Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi","Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08229","","","0.71075","MoKα","","0.08","0.0579","","","0.1458","0.1598","","","","","","1.065","","","","has coordinates","256951","2020-10-21","18:00:00",""
"4135267","30.7047","0.0018","30.7047","0.0018","23.1299","0.0007","90","","90","","90","","21806.4","1.9","123","","123","","","","","","","","","6","I 4","I 4","79","","","","- C356 H204 Eu8 F168 N24 O64 -","- C356 H204 Eu8 F168 N24 O64 -","- C712 H408 Eu16 F336 N48 O128 -","2","0.25","","Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi","Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08229","","","0.71075","MoKα","","0.1044","0.067","","","0.1502","0.1673","","","","","","1.033","","","","has coordinates,has disorder","256952","2020-10-21","18:00:00",""
"4135268","30.7233","0.0013","30.7233","0.0013","23.0251","0.0005","90","","90","","90","","21733.9","1.4","123","","123","","","","","","","","","6","I 4","I 4","79","","","","- C356 H208 F168 N24 O64 Tb8 -","- C356 H208 F168 N24 O64 Tb8 -","- C712 H416 F336 N48 O128 Tb16 -","2","0.25","","Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi","Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08229","","","0.71075","MoKα","","0.0746","0.0489","","","0.1031","0.1171","","","","","","1.039","","","","has coordinates,has disorder","256953","2020-10-21","18:00:00",""
"4135269","24.146","0.001","9.8138","0.0004","7.8489","0.0003","90","","91.965","0.004","90","","1858.81","0.13","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C14 H20 Cl2 Fe I N Pb -","- C14 H20 Cl2 Fe I N Pb -","- C56 H80 Cl8 Fe4 I4 N4 Pb4 -","4","1","","Zhang, Zhi-Xu; Zhang, Han-Yue; Zhang, Wei; Chen, Xiao-Gang; Wang, Hui; Xiong, Ren-Gen","Organometallic-Based Hybrid Perovskite Piezoelectrics with a Narrow Band Gap.","Journal of the American Chemical Society","2020","142","41","17787","17794","10.1021/jacs.0c09288","","","0.71073","MoKα","","0.0441","0.0357","","","0.1007","0.1035","","","","","","1.102","","","","has coordinates","258709","2020-11-04","01:23:00",""
"4135270","25.8959","0.0016","10.0928","0.0005","7.944","0.0004","90","","93.798","0.005","90","","2071.7","0.19","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C14 H20 Fe I3 N Pb -","- C14 H20 Fe I3 N Pb -","- C56 H80 Fe4 I12 N4 Pb4 -","4","1","","Zhang, Zhi-Xu; Zhang, Han-Yue; Zhang, Wei; Chen, Xiao-Gang; Wang, Hui; Xiong, Ren-Gen","Organometallic-Based Hybrid Perovskite Piezoelectrics with a Narrow Band Gap.","Journal of the American Chemical Society","2020","142","41","17787","17794","10.1021/jacs.0c09288","","","0.71073","MoKα","","0.0637","0.0611","","","0.1742","0.1764","","","","","","1.099","","","","has coordinates","258709","2020-11-04","01:23:01",""
"4135271","25.248","0.003","10.0268","0.0007","7.9347","0.0007","90","","92.55","0.009","90","","2006.7","0.3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C14 H20 Br2 Fe I N Pb -","- C14 H20 Br2 Fe I N Pb -","- C56 H80 Br8 Fe4 I4 N4 Pb4 -","4","1","","Zhang, Zhi-Xu; Zhang, Han-Yue; Zhang, Wei; Chen, Xiao-Gang; Wang, Hui; Xiong, Ren-Gen","Organometallic-Based Hybrid Perovskite Piezoelectrics with a Narrow Band Gap.","Journal of the American Chemical Society","2020","142","41","17787","17794","10.1021/jacs.0c09288","","","0.71073","MoKα","","0.0499","0.0468","","","0.1324","0.1341","","","","","","1.128","","","","has coordinates","258709","2020-11-04","01:23:01",""
"4135272","11.9642","0.0002","26.3927","0.0004","21.6924","0.0003","90","","90.1923","0.0007","90","","6849.72","0.18","170","2","170.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71.5 H73.5 Cl4.5 N2 O8 -","- C71.5 H73.5 Cl4.5 N2 O8 -","- C286 H294 Cl18 N8 O32 -","4","2","","Zhu, Huangtianzhi; Li, Qi; Shi, Bingbing; Xing, Hao; Sun, Yan; Lu, Shuai; Shangguan, Liqing; Li, Xiaopeng; Huang, Feihe; Stang, Peter J.","Formation of Planar Chiral Platinum Triangles via Pillar[5]arene for Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","142","41","17340","17345","10.1021/jacs.0c09598","","","1.34139","GaKα","","0.0713","0.0634","","","0.1692","0.1764","","","","","","1.039","","","","has coordinates","258708","2020-11-04","01:22:48",""
"4135273","11.9689","0.0002","26.3969","0.0005","21.6869","0.0004","90","","90.193","0.001","90","","6851.8","0.2","170","2","170.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71.5 H73.5 Cl4.5 N2 O8 -","- C71.5 H73.5 Cl4.5 N2 O8 -","- C286 H294 Cl18 N8 O32 -","4","2","","Zhu, Huangtianzhi; Li, Qi; Shi, Bingbing; Xing, Hao; Sun, Yan; Lu, Shuai; Shangguan, Liqing; Li, Xiaopeng; Huang, Feihe; Stang, Peter J.","Formation of Planar Chiral Platinum Triangles via Pillar[5]arene for Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","142","41","17340","17345","10.1021/jacs.0c09598","","","1.34139","GaKα","","0.0737","0.0686","","","0.1877","0.1921","","","","","","1.027","","","","has coordinates","258708","2020-11-04","01:22:48",""
"4135274","11.0288","0.0002","14.2907","0.0003","14.774","0.0003","70.148","0.001","70.769","0.001","84.111","0.001","2067.82","0.07","170","","170","","","","","","","","","5","P 1","P 1","1","","","","- C53 H33 Cl3 N4 O -","- C53 H33 Cl3 N4 O -","- C106 H66 Cl6 N8 O2 -","2","2","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","1.54178","CuKα","","0.0743","0.0578","","","0.143","0.1605","","","","","","1.005","","","","has coordinates,has disorder","258707","2020-11-04","01:22:24",""
"4135275","10.7802","0.0004","16.7891","0.0006","23.3522","0.0009","88.514","0.001","81.094","0.001","73.999","0.001","4013.2","0.3","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H34 Cl2 N4 O -","- C53 H34 Cl2 N4 O -","- C212 H136 Cl8 N16 O4 -","4","2","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","0.71073","MoKα","","0.155","0.1076","","","0.2889","0.3298","","","","","","1.022","","","","has coordinates","258707","2020-11-04","01:22:28",""
"4135276","9.2451","0.0007","20.9753","0.0016","37.803","0.003","90","","90","","90","","7330.7","1","100","2","100.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C52 H32 N4 S -","- C52 H32 N4 S -","- C416 H256 N32 S8 -","8","1","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","0.71073","MoKα","","0.1346","0.0627","","","0.1263","0.1601","","","","","","0.996","","","","has coordinates","258707","2020-11-04","01:22:28",""
"4135277","10.9982","0.0009","16.8852","0.0014","23.75","0.002","88.085","0.003","79.744","0.003","73.887","0.002","4169","0.6","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C105 H65 Cl3 N8 S2 -","- C105 H65 Cl3 N8 S2 -","- C210 H130 Cl6 N16 S4 -","2","2","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","0.71073","MoKα","","0.157","0.0904","","","0.2195","0.2716","","","","","","1.017","","","","has coordinates,has disorder","258707","2020-11-04","01:22:28",""
"4135278","10.7744","0.0011","13.9056","0.0015","15.4119","0.0015","109.438","0.003","107.172","0.003","93.623","0.003","2046.7","0.4","170","","170","","","","","","","","","5","P 1","P 1","1","","","","- C53 H34 Cl2 N4 S -","- C53 H34 Cl2 N4 S -","- C106 H68 Cl4 N8 S2 -","2","2","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","0.71073","MoKα","","0.169","0.0927","","","0.2361","0.3014","","","","","","1.015","","","","has coordinates,has disorder","258707","2020-11-04","01:22:28",""
"4135279","10.8332","0.0004","15.6637","0.0006","43.2298","0.0016","90","","92.527","0.002","90","","7328.4","0.5","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H32 N4 O -","- C52 H32 N4 O -","- C416 H256 N32 O8 -","8","4","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","1.54178","CuKα","","0.0982","0.0945","","","0.2557","0.2579","","","","","","1.074","","","","has coordinates","258707","2020-11-04","01:22:28",""
"4135280","8.9752","0.0003","12.9775","0.0004","14.8463","0.0005","71.874","0.001","85.865","0.001","84.038","0.001","1633.08","0.09","170","2","170","","","","","","","","","6","P 1","P 1","1","","","","- C69 H58 Cl2 F12 N4 O6 -","- C69 H58 Cl2 F12 N4 O6 -","- C69 H58 Cl2 F12 N4 O6 -","1","1","","Yao, Qi-Jun; Xie, Pei-Pei; Wu, Yong-Jie; Feng, Ya-Lan; Teng, Ming-Ya; Hong, Xin; Shi, Bing-Feng","Enantioselective Synthesis of Atropisomeric Anilides via Pd(II)-Catalyzed Asymmetric C-H Olefination.","Journal of the American Chemical Society","2020","142","42","18266","18276","10.1021/jacs.0c09400","","","1.54178","CuKα","","0.0555","0.0551","","","0.1508","0.1514","","","","","","1.018","","","","has coordinates","258712","2020-11-04","01:24:51",""
"4135281","7.7185","0.0002","19.1801","0.0006","8.914","0.0003","90","","97.217","0.001","90","","1309.19","0.07","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H26 N2 O5 -","- C31 H26 N2 O5 -","- C62 H52 N4 O10 -","2","1","","Yao, Qi-Jun; Xie, Pei-Pei; Wu, Yong-Jie; Feng, Ya-Lan; Teng, Ming-Ya; Hong, Xin; Shi, Bing-Feng","Enantioselective Synthesis of Atropisomeric Anilides via Pd(II)-Catalyzed Asymmetric C-H Olefination.","Journal of the American Chemical Society","2020","142","42","18266","18276","10.1021/jacs.0c09400","","","1.54178","CuKα","","0.0287","0.0287","","","0.0731","0.0732","","","","","","1.064","","","","has coordinates","258712","2020-11-04","01:24:51",""
"4135282","25.4658","0.0013","25.5043","0.0012","25.6054","0.0012","67.082","0.004","85.207","0.004","84.085","0.004","15219","1.4","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C444 H224 Au110 F144 N2 -","- C432 H194 Au110 F144 -","- C432 H194 Au110 F144 -","1","0.5","","Wang, Jia-Qi; Shi, Shuang; He, Rui-Lin; Yuan, Shang-Fu; Yang, Gao-Yuan; Liang, Gui-Jie; Wang, Quan-Ming","Total Structure Determination of the Largest Alkynyl-Protected fcc Gold Nanocluster Au<sub>110</sub> and the Study on Its Ultrafast Excited-State Dynamics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07397","","x-ray","1.54184","CuKα","","0.1595","0.0836","","","0.1971","0.2392","","","","","","0.787","","","","has coordinates","258306","2020-10-21","18:00:00",""
"4135283","7.818","0.0007","10.0517","0.0009","13.0676","0.0011","95.658","0.002","91.485","0.002","94.652","0.002","1017.94","0.15","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H28 B10 -","- C17 H24 B10 -","- C34 H48 B20 -","2","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1212","0.0809","","","0.2417","0.2847","","","","","","1.035","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135284","11.0304","0.0013","9.9701","0.0012","15.231","0.0017","90","","107.563","0.008","90","","1596.9","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 B10 -","- C11 H18 B10 -","- C44 H72 B40 -","4","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1292","0.066","","","0.1595","0.198","","","","","","1.01","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135285","10.5403","0.0005","14.201","0.0005","15.1636","0.0006","65.4693","0.0019","75.0948","0.0019","71.5823","0.0019","1938.09","0.14","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H26 B10 -","- C15 H26 B10 -","- C60 H104 B40 -","4","2","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1255","0.0832","","","0.25","0.2931","","","","","","1.028","","","","has coordinates,has disorder","258711","2020-11-04","01:24:27",""
"4135286","16.7399","0.0007","12.5493","0.0005","22.3515","0.0011","90","","90","","90","","4695.5","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H34 B10 -","- C19 H34 B10 -","- C152 H272 B80 -","8","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1748","0.0936","","","0.246","0.2951","","","","","","1.023","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135287","15.046","0.0003","7.8624","0.0002","15.3076","0.0003","90","","95.3224","0.0012","90","","1803.05","0.07","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 B10 -","- C15 H20 B10 -","- C60 H80 B40 -","4","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.0593","0.0503","","","0.1416","0.1512","","","","","","1.072","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135288","26.7508","0.0014","8.5536","0.0004","25.4822","0.0012","90","","118.6","0.0015","90","","5119.3","0.4","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H37 B10 N O -","- C20 H37 B10 N O -","- C160 H296 B80 N8 O8 -","8","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1008","0.0601","","","0.136","0.157","","","","","","1.036","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135289","16.4151","0.0008","12.5821","0.0006","21.684","0.0012","90","","90","","90","","4478.5","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H32 B10 -","- C18 H32 B10 -","- C144 H256 B80 -","8","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.0996","0.0625","","","0.1652","0.1942","","","","","","1.024","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135290","30.0485","0.0014","10.8314","0.0005","23.7342","0.0011","90","","102.004","0.0015","90","","7555.8","0.6","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H50 B20 -","- C28 H50 B20 -","- C224 H400 B160 -","8","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1013","0.0657","","","0.1756","0.206","","","","","","1.031","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135291","15.086","0.0007","12.9393","0.0006","11.5931","0.0005","90","","102.262","0.0014","90","","2211.37","0.17","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 B10 -","- C18 H32 B10 -","- C72 H128 B40 -","4","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1014","0.0599","","","0.137","0.1618","","","","","","1.051","","","","has coordinates,has disorder","258711","2020-11-04","01:24:27",""
"4135292","14.3162","0.0005","7.2812","0.0003","19.0278","0.0007","90","","90","","90","","1983.44","0.13","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H26 B10 O -","- C15 H26 B10 O -","- C60 H104 B40 O4 -","4","0.5","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.0656","0.0564","","","0.1589","0.1723","","","","","","1.06","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135293","7.0829","0.0002","24.8661","0.0007","10.414","0.0003","90","","130.943","0.0011","90","","1385.45","0.07","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 B20 -","- C16 H30 B20 -","- C32 H60 B40 -","2","0.5","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.077","0.0557","","","0.1557","0.1715","","","","","","1.056","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135294","13.2198","0.0009","19.9501","0.0014","21.0748","0.0014","69.421","0.007","75.275","0.006","72.132","0.006","4885.3","0.6","223","","223","","","","","","","","","6","P -1","-P 1","2","","","","- C89 H76 Cl4 N6 O3 S16 -","- C89 H76 Cl4 N6 O3 S16 -","- C178 H152 Cl8 N12 O6 S32 -","2","1","","Lee, Ji Yoon; Root, Harrison D.; Ali, Rashid; An, Won; Lynch, Vincent M.; Bähring, Steffen; Kim, In Su; Sessler, Jonathan L.; Park, Jung Su","Ratiometric Turn-On Fluorophore Displacement Ensembles for Nitroaromatic Explosives Detection","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08106","","","1.54184","CuKα","","0.188","0.0726","","","0.1776","0.2447","","","","","","0.977","","","","has coordinates","258429","2020-10-21","18:00:00",""
"4135295","17.7127","0.0009","20.83","0.0011","23.3893","0.0012","77.227","0.004","73.33","0.005","66.176","0.005","7507.8","0.7","223","","223","","","","","","","","","5","P -1","-P 1","2","","","","- C136 H120 N8 O8 S16 -","- C136 H120 N8 O8 S16 -","- C272 H240 N16 O16 S32 -","2","1","","Lee, Ji Yoon; Root, Harrison D.; Ali, Rashid; An, Won; Lynch, Vincent M.; Bähring, Steffen; Kim, In Su; Sessler, Jonathan L.; Park, Jung Su","Ratiometric Turn-On Fluorophore Displacement Ensembles for Nitroaromatic Explosives Detection","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08106","","x-ray","0.71073","MoKα","","0.1223","0.058","","","0.1407","0.1603","","","","","","0.907","","","","has coordinates,has disorder","258430","2020-10-21","18:00:00",""
"4135296","20.4388","0.0003","20.4388","0.0003","31.2788","0.0005","90","","90","","90","","13066.5","0.3","223.15","","223.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C116 H112 N8 O8 S16 -","- C116 H112 N8 O8 S16 -","- C464 H448 N32 O32 S64 -","4","0.25","","Lee, Ji Yoon; Root, Harrison D.; Ali, Rashid; An, Won; Lynch, Vincent M.; Bähring, Steffen; Kim, In Su; Sessler, Jonathan L.; Park, Jung Su","Ratiometric Turn-On Fluorophore Displacement Ensembles for Nitroaromatic Explosives Detection","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08106","","","1.54184","CuKα","","0.0661","0.0453","","","0.1249","0.1366","","","","","","1.028","","","","has coordinates,has disorder","258431","2020-10-21","18:00:00",""
"4135297","13.2524","0.0013","16.566","0.0016","17.6421","0.0018","62.187","0.004","75.974","0.004","85.011","0.004","3322","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C148 H174 Cl8 Cu2 N8 -","- C148 H174 Cl8 Cu2 N8 -","- C148 H174 Cl8 Cu2 N8 -","1","0.5","","Bakhoda, Abolghasem; Okoromoba, Otome E.; Greene, Christine; Raghibi Boroujeni, Mahdi; Bertke, Jeffery A.; Warren, Timothy H.","A Three Coordinate Copper(II) Alkynyl Complex in C-C Bond Formation: The Sesquicentennial of the Glaser Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07137","","","0.71073","MoKα","","0.2775","0.0937","","","0.1628","0.222","","","","","","0.955","","","","has coordinates,has disorder","258463","2020-10-21","18:00:00",""
"4135298","8.401","0.004","8.962","0.004","15.78","0.008","103.367","0.009","93.159","0.014","116.101","0.01","1021.2","0.9","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H18 Cl2 -","- C27 H18 Cl2 -","- C54 H36 Cl4 -","2","1","","Bakhoda, Abolghasem; Okoromoba, Otome E.; Greene, Christine; Raghibi Boroujeni, Mahdi; Bertke, Jeffery A.; Warren, Timothy H.","A Three Coordinate Copper(II) Alkynyl Complex in C-C Bond Formation: The Sesquicentennial of the Glaser Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07137","","","0.71073","MoKα","","0.0338","0.0296","","","0.0747","0.0775","","","","","","1.04","","","","has coordinates","258464","2020-10-21","18:00:00",""
"4135299","29.325","0.002","10.638","0.0008","23.8621","0.0018","90","","90.545","0.003","90","","7443.7","0.9","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H100 Cl4 Cu2 N4 -","- C79 H100 Cl4 Cu2 N4 -","- C316 H400 Cl16 Cu8 N16 -","4","1","","Bakhoda, Abolghasem; Okoromoba, Otome E.; Greene, Christine; Raghibi Boroujeni, Mahdi; Bertke, Jeffery A.; Warren, Timothy H.","A Three Coordinate Copper(II) Alkynyl Complex in C-C Bond Formation: The Sesquicentennial of the Glaser Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07137","","","0.71073","MoKα","","0.1414","0.0854","","","0.1662","0.1843","","","","","","1.107","","","","has coordinates,has disorder","258465","2020-10-21","18:00:00",""
"4135300","8.0553","0.0005","10.2611","0.0006","10.6161","0.0007","90","","90","","90","","877.49","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","rac-(S,S,S)-1-methyl-1-ethynyl-1- (5-methyl-tetrahydrofuran-2-yl)-methanol","","- C9 H14 O2 -","- C9 H14 O2 -","- C36 H56 O8 -","4","1","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","Mo-Kα","","0.0521","0.0384","","","0.0918","0.0988","","","","","","1.037","","","","has coordinates","258710","2020-11-04","01:23:31",""
"4135301","13.8465","0.0006","6.4641","0.0003","11.3247","0.0005","90","","107.264","0.002","90","","967.95","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(trimethylsilyl)methyl-(5H)-furan-2-one","","- C8 H14 O2 Si -","- C8 H14 O2 Si -","- C32 H56 O8 Si4 -","4","1","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","1.54178","Cu-Kα","","0.0368","0.0322","","","0.0827","0.0863","","","","","","1.046","","","","has coordinates","258710","2020-11-04","01:23:34",""
"4135302","12.5303","0.0015","5.8923","0.0005","20.003","0.003","90","","91.647","0.01","90","","1476.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-spirocyclohexane-3(H)-4(phenylcarboxy)-5(methoxy)-furan","","- C17 H22 O3 -","- C17 H22 O3 -","- C68 H88 O12 -","4","1","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","MoKα","","0.0583","0.0383","","","0.0892","0.0965","","","","","","1.039","","","","has coordinates","258710","2020-11-04","01:23:34",""
"4135303","19.802","0.003","16.26","0.002","23.261","0.002","90","","107.91","0.008","90","","7126.6","1.6","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","(hapto-3-(1-(methoxycyclohexyl)-hex-5-ene-2-ylidenyl))- (hapto-5-pentamethylcyclopentadienyl)-chloro-ruthenium(ii)","","- C25 H41 Cl O Ru -","- C25 H41 Cl O Ru -","- C300 H492 Cl12 O12 Ru12 -","12","6","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","MoKα","","0.1196","0.0809","","","0.1991","0.2286","","","","","","1.061","","","","has coordinates,has disorder","258710","2020-11-04","01:23:34",""
"4135304","8.9181","0.0004","21.7716","0.0009","9.155","0.0004","90","","94.822","0.002","90","","1771.26","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","rac-(S,S,R)-1-methyl-1-ethynyl-1- (5-methyl-tetrahydrofuran-2-yl)-methanol","","- C9 H14 O2 -","- C9 H14 O2 -","- C72 H112 O16 -","8","2","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","Mo-Kα","","0.0657","0.043","","","0.1111","0.1237","","","","","","1.034","","","","has coordinates,has disorder","258710","2020-11-04","01:23:34",""
"4135305","10.5379","0.0006","15.712","0.001","20.9915","0.0014","89.81","0.003","89.849","0.003","84.937","0.003","3462","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1,2-di(triemthylsilyl)-3,4-di(3,3-dimethyl- prop-2-en-1-yl-carboxylato)-cyclobutadienyl- pentamethylcyclopentadienyl-chloro-ruthenium(II)","","- C32 H51 Cl O4 Ru Si2 -","- C32 H51 Cl O4 Ru Si2 -","- C128 H204 Cl4 O16 Ru4 Si8 -","4","2","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","Mo-Kα","","0.0792","0.046","","","0.1014","0.1147","","","","","","1.013","","","","has coordinates,has disorder","258710","2020-11-04","01:23:35",""
"4135306","11.3802","0.0003","12.6447","0.0003","12.9434","0.0004","85.1416","0.0015","66.2419","0.0013","88.5246","0.0015","1698.51","0.08","105.13","","105.13","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H26 B Br3 N2 -","- C35 H26 B Br3 N2 -","- C70 H52 B2 Br6 N4 -","2","1","","Atilgan, Ahmet; Cetin, M. Mustafa; Yu, Jierui; Beldjoudi, Yassine; Liu, Jian; Stern, Charlotte L.; Cetin, Furkan M.; Islamoglu, Timur; Farha, Omar K.; Deria, Pravas; Stoddart, J. Fraser; Hupp, Joseph T.","Post-Synthetically Elaborated BODIPY-based Porous Organic Polymers (POPs) for Photochemical Detoxification of a Sulfur Mustard Simulant.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07784","","","0.71073","MoKα","","0.0423","0.0307","","","0.0727","0.0763","","","","","","1.056","","","","has coordinates","258473","2020-10-21","18:00:00",""
"4135307","17.398","0.003","23.989","0.004","9.6741","0.0012","90","","112.936","0.01","90","","3718.4","1","100","2","99.93","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H31 B Br3 I2 N3 O -","- C38 H31 B Br3 I2 N3 O -","- C152 H124 B4 Br12 I8 N12 O4 -","4","0.5","","Atilgan, Ahmet; Cetin, M. Mustafa; Yu, Jierui; Beldjoudi, Yassine; Liu, Jian; Stern, Charlotte L.; Cetin, Furkan M.; Islamoglu, Timur; Farha, Omar K.; Deria, Pravas; Stoddart, J. Fraser; Hupp, Joseph T.","Post-Synthetically Elaborated BODIPY-based Porous Organic Polymers (POPs) for Photochemical Detoxification of a Sulfur Mustard Simulant.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07784","","","1.54178","CuKα","","0.0719","0.0589","","","0.15","0.1597","","","","","","1.056","","","","has coordinates,has disorder","258474","2020-10-21","18:00:00",""
"4135308","17.388","0.002","24.134","0.003","9.624","0.0011","90","","115.472","0.005","90","","3646.1","0.8","100","2","99.93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H31 B Br5 N3 O -","- C38 H31 B Br4.99 N3 O -","- C152 H124 B4 Br19.96 N12 O4 -","4","0.5","","Atilgan, Ahmet; Cetin, M. Mustafa; Yu, Jierui; Beldjoudi, Yassine; Liu, Jian; Stern, Charlotte L.; Cetin, Furkan M.; Islamoglu, Timur; Farha, Omar K.; Deria, Pravas; Stoddart, J. Fraser; Hupp, Joseph T.","Post-Synthetically Elaborated BODIPY-based Porous Organic Polymers (POPs) for Photochemical Detoxification of a Sulfur Mustard Simulant.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07784","","","1.54178","CuKα","","0.0327","0.0315","","","0.0791","0.08","","","","","","1.053","","","","has coordinates,has disorder","258475","2020-10-21","18:00:00",""
"4135309","13.8415","0.0012","15.1909","0.0013","16.21","0.0014","90","","109.352","0.006","90","","3215.8","0.5","99.97","","99.97","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 B Br I2 N2 O4 S -","- C27 H37 B Br I2 N2 O4 S -","- C108 H148 B4 Br4 I8 N8 O16 S4 -","4","1","","Atilgan, Ahmet; Cetin, M. Mustafa; Yu, Jierui; Beldjoudi, Yassine; Liu, Jian; Stern, Charlotte L.; Cetin, Furkan M.; Islamoglu, Timur; Farha, Omar K.; Deria, Pravas; Stoddart, J. Fraser; Hupp, Joseph T.","Post-Synthetically Elaborated BODIPY-based Porous Organic Polymers (POPs) for Photochemical Detoxification of a Sulfur Mustard Simulant.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07784","","","1.54178","CuKα","","0.0595","0.0478","","","0.1202","0.1276","","","","","","1.027","","","","has coordinates","258476","2020-10-21","18:00:00",""
"4135310","10.54","0.04","13.48","0.05","14.6","0.1","76.4","0.2","82.4","0.2","76.5","0.2","1954","17","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C102 B2 N2 -","- C102 B2 N2 -","- C102 B2 N2 -","1","0.5","","Lu, Hua; Nakamuro, Takayuki; Yamashita, Keitaro; Yanagisawa, Haruaki; Nureki, Osamu; Kikkawa, Masahide; Gao, Han; Tian, Jiangwei; Shang, Rui; Nakamura, Eiichi","B/N-Doped p-Arylenevinylene Chromophores: Synthesis, Properties, and Microcrystal Electron Crystallographic Study","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10337","","","0.0251","200keVelectrons","","0.3542","0.2429","","","0.5948","0.6149","","","","","","2.32","","","","has coordinates","258562","2020-10-22","22:57:10",""
"4135311","10.6701","0.0006","15.1062","0.0009","8.7738","0.0006","90","","102.335","0.004","90","","1381.56","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 B N -","- C38 H28 B N -","- C76 H56 B2 N2 -","2","0.5","","Lu, Hua; Nakamuro, Takayuki; Yamashita, Keitaro; Yanagisawa, Haruaki; Nureki, Osamu; Kikkawa, Masahide; Gao, Han; Tian, Jiangwei; Shang, Rui; Nakamura, Eiichi","B/N-Doped p-Arylenevinylene Chromophores: Synthesis, Properties, and Microcrystal Electron Crystallographic Study","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10337","","","1.54178","CuKα","","0.0654","0.0487","","","0.1271","0.1332","","","","","","1.02","","","","has coordinates","258563","2020-10-22","22:57:30",""
"4135312","10.7685","0.0006","5.8871","0.0003","16.4455","0.0009","90","","98.501","0.004","90","","1031.11","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H24 O3 -","- C27 H24 O3 -","- C54 H48 O6 -","2","1","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","1.54178","CuKα","","0.1062","0.0713","","","0.167","0.1896","","","","","","1.018","","","","has coordinates","258627","2020-10-29","23:45:43",""
"4135313","15.7106","0.001","7.0972","0.0004","11.3233","0.0007","90","","90","","90","","1262.56","0.13","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C56 H52 N4 O16 -","4","1","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","1.54178","CuKα","","0.0308","0.0303","","","0.0787","0.0793","","","","","","1.092","","","","has coordinates,has disorder","258628","2020-10-29","23:46:07",""
"4135314","11.4685","0.0002","11.4685","0.0002","42.486","0.001","90","","90","","120","","4839.38","0.16","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C18 H14 Br N O3 -","- C18 H14 Br N O3 -","- C216 H168 Br12 N12 O36 -","12","2","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","0.71073","MoKα","","0.0776","0.0425","","","0.0645","0.0757","","","","","","0.913","","","","has coordinates","258629","2020-10-29","23:46:31",""
"4135315","40.7287","0.0011","5.4786","0.0001","14.2667","0.0004","90","","90","","90","","3183.42","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O2 S -","- C18 H17 N O2 S -","- C144 H136 N8 O16 S8 -","8","2","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","0.71073","MoKα","","0.122","0.0673","","","0.1234","0.1454","","","","","","1.048","","","","has coordinates,has disorder","258630","2020-10-29","23:46:56",""
"4135316","9.3925","0.0007","22.0153","0.0017","9.7818","0.0007","90","","91.787","0.002","90","","2021.7","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H19 N O2 -","- C26 H19 N O2 -","- C104 H76 N4 O8 -","4","2","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","1.54178","CuKα","","0.0303","0.0303","","","0.0793","0.0794","","","","","","1.027","","","","has coordinates","258631","2020-10-29","23:47:18",""
"4135317","6.1262","0.0004","7.1062","0.0005","31.219","0.002","90","","90","","90","","1359.09","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 F N O2 -","- C17 H12 F N O2 -","- C68 H48 F4 N4 O8 -","4","1","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","1.54178","CuKα","","0.0345","0.0333","","","0.0825","0.0837","","","","","","1.057","","","","has coordinates","258632","2020-10-29","23:47:40",""
"4135318","5.8908","0.0003","7.3386","0.0004","33.7998","0.0017","90","","90","","90","","1461.17","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Br N O2 -","- C17 H12 Br N O2 -","- C68 H48 Br4 N4 O8 -","4","1","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","0.71073","MoKα","","0.0766","0.0375","","","0.0733","0.0866","","","","","","0.934","","","","has coordinates","258633","2020-10-29","23:48:04",""
"4135319","13.7935","0.0005","18.27","0.0006","18.3454","0.0007","91.909","0.003","91.064","0.003","101.56","0.003","4525.4","0.3","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C71 H152 N4 O16 Si4 U -","- C71 H152 N4 O16 Si4 U -","- C142 H304 N8 O32 Si8 U2 -","2","1","","Barluzzi, Luciano; Scopelliti, Rosario; Mazzanti, Marinella","Photochemical Synthesis of a Stable Terminal Uranium(VI) Nitride","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09814","","x-ray","0.71073","MoKα","","0.0923","0.0561","","","0.1184","0.1363","","","","","","1.097","","","","has coordinates,has disorder","258634","2020-10-29","23:48:29",""
"4135320","14.2473","0.0003","24.0781","0.0005","27.7546","0.0007","90.6362","0.0019","93.3686","0.0018","91.8783","0.0017","9498.8","0.4","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C66 H144 K N5 O22 Si4 U -","- C66 H144 K N5 O22 Si4 U -","- C264 H576 K4 N20 O88 Si16 U4 -","4","2","","Barluzzi, Luciano; Scopelliti, Rosario; Mazzanti, Marinella","Photochemical Synthesis of a Stable Terminal Uranium(VI) Nitride","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09814","","x-ray","0.71073","MoKα","","0.0877","0.0578","","","0.1227","0.1347","","","","","","1.05","","","","has coordinates,has disorder","258635","2020-10-29","23:48:58",""
"4135321","13.8047","0.0002","18.2614","0.0004","18.3619","0.0004","91.9047","0.0017","91.0275","0.0016","101.261","0.0016","4535.87","0.16","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72 H152 N2 O17 Si4 U -","- C72 H152 N2 O17 Si4 U -","- C144 H304 N4 O34 Si8 U2 -","2","1","","Barluzzi, Luciano; Scopelliti, Rosario; Mazzanti, Marinella","Photochemical Synthesis of a Stable Terminal Uranium(VI) Nitride","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09814","","x-ray","0.71073","MoKα","","0.0575","0.0379","","","0.0793","0.089","","","","","","1.047","","","","has coordinates,has disorder","258636","2020-10-29","23:49:26",""
"4135322","14.10407","0.00017","16.7659","0.0002","19.9097","0.0002","88.6774","0.0009","81.8561","0.001","86.4823","0.001","4651.24","0.09","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C78 H160 N2 O16 Si4 U -","- C78 H160 N2 O16 Si4 U -","- C156 H320 N4 O32 Si8 U2 -","2","1","","Barluzzi, Luciano; Scopelliti, Rosario; Mazzanti, Marinella","Photochemical Synthesis of a Stable Terminal Uranium(VI) Nitride","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09814","","x-ray","1.54184","CuKα","","0.0203","0.0188","","","0.044","0.0446","","","","","","1.034","","","","has coordinates,has disorder","258637","2020-10-29","23:49:54",""
"4135323","11.738","0.0003","4.4064","0.0001","27.5661","0.0008","90","","94.026","0.003","90","","1422.26","0.06","295.4","0.4","295.4","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Xie, Ming-Sheng; Huang, Bin; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Rational Design of 2-Substituted DMAP-<i>N</i>-oxides as Acyl Transfer Catalysts: Dynamic Kinetic Resolution of Azlactones.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09075","","x-ray","1.54184","CuKα","","0.0734","0.0613","","","0.1856","0.1907","","","","","","1.256","","","","has coordinates","258651","2020-10-30","23:47:19",""
"4135324","16.2461","0.0002","16.402","0.0002","19.8014","0.0002","90","","90","","90","","5276.45","0.11","170","0.1","170","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H77 Cl N8 O6 -","- C52 H77 Cl N8 O6 -","- C208 H308 Cl4 N32 O24 -","4","1","","Xie, Ming-Sheng; Huang, Bin; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Rational Design of 2-Substituted DMAP-<i>N</i>-oxides as Acyl Transfer Catalysts: Dynamic Kinetic Resolution of Azlactones.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09075","","x-ray","1.54184","CuKα","","0.0564","0.0485","","","0.1235","0.1305","","","","","","1.042","","","","has coordinates,has disorder","258652","2020-10-30","23:47:49",""
"4135325","5.49233","0.00005","12.68068","0.00013","30.6855","0.0003","90","","90","","90","","2137.14","0.04","290.8","0.8","290.8","0.8","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C88 H112 N16 O16 -","4","1","","Xie, Ming-Sheng; Huang, Bin; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Rational Design of 2-Substituted DMAP-<i>N</i>-oxides as Acyl Transfer Catalysts: Dynamic Kinetic Resolution of Azlactones.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09075","","x-ray","1.54184","CuKα","","0.0449","0.0418","","","0.111","0.112","","","","","","1.067","","","","has coordinates","258653","2020-10-30","23:48:13",""
"4135326","8.4358","0.0003","11.8215","0.0005","11.8878","0.0005","89.4274","0.0014","84.7711","0.0013","88.91","0.0013","1180.31","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N Rh -","- C30 H30 N Rh -","- C60 H60 N2 Rh2 -","2","1","","Kim, Jinwoo; Kim, Dongwook; Chang, Sukbok","Merging Two Functions in a Single Rh Catalyst System: Bimodular Conjugate for Light-Induced Oxidative Coupling","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09982","","","0.71073","MoKα","","0.0271","0.0229","","","0.0494","0.0538","","","","","","1.202","","","","has coordinates","258654","2020-10-30","23:48:37",""
"4135327","36.987","0.007","35.02","0.007","22.654","0.005","90","","92.27","0.03","90","","29320","10","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H70 Cl6 N2 O8 Rh2 -","- C74 H70 Cl6 N2 O8 Rh2 -","- C1184 H1120 Cl96 N32 O128 Rh32 -","16","4","","Kim, Jinwoo; Kim, Dongwook; Chang, Sukbok","Merging Two Functions in a Single Rh Catalyst System: Bimodular Conjugate for Light-Induced Oxidative Coupling","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09982","","","0.8","synchrotron","","0.1443","0.0957","","","0.2769","0.3119","","","","","","1.016","","","","has coordinates,has disorder","258655","2020-10-30","23:49:18",""
"4135328","36.655","0.007","9.368","0.0019","32.952","0.007","90","","108.36","0.03","90","","10739","4","253","2","253","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C44 H43 F18 N Rh Sb3 -","- C44 H43 F18 N Rh Sb3 -","- C352 H344 F144 N8 Rh8 Sb24 -","8","2","","Kim, Jinwoo; Kim, Dongwook; Chang, Sukbok","Merging Two Functions in a Single Rh Catalyst System: Bimodular Conjugate for Light-Induced Oxidative Coupling","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09982","","","0.85","synchrotron","","0.2163","0.1155","","","0.3295","0.3865","","","","","","1.071","","","","has coordinates,has disorder","258656","2020-10-30","23:49:50",""
"4135329","14.509","0.002","18.34","0.003","15.539","0.003","90","","96.485","0.002","90","","4108.4","1.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H63 Ir O3 P2 Si3 -","- C34 H63 Ir O3 P2 Si3 -","- C136 H252 Ir4 O12 P8 Si12 -","4","2","","Esteruelas, Miguel A.; Martínez, Antonio; Oliván, Montserrat; Oñate, Enrique","Kinetic Analysis and Sequencing of Si-H and C-H Bond Activation Reactions: Direct Silylation of Arenes Catalyzed by an Iridium-Polyhydride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07578","","","0.71073","MoKα","","0.1413","0.0577","","","0.0985","0.1242","","","","","","0.997","","","","has coordinates,has disorder","258668","2020-11-01","00:01:09",""
"4135330","11.8183","0.0005","4.94497","0.00016","14.9662","0.0006","90","","110.509","0.005","90","","819.2","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H22 Br N O2 -","- C16 H22 Br N O2 -","- C32 H44 Br2 N2 O4 -","2","1","","Shu, Xiaomin; Huan, Leitao; Huang, Qian; Huo, Haohua","Direct Enantioselective C(sp<sup>3</sup>)-H Acylation for the Synthesis of α-Amino Ketones.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10471","","x-ray","1.54184","CuKα","","0.0458","0.0424","","","0.1063","0.1095","","","","","","1.063","","","","has coordinates","258669","2020-11-01","00:04:13",""
"4135331","11.705","0.0006","5.1203","0.0002","15.0401","0.0007","90","","112.529","0.005","90","","832.61","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1","","- C19 H20 Cl N O2 -","- C19 H20 Cl N O2 -","- C38 H40 Cl2 N2 O4 -","2","1","","Shu, Xiaomin; Huan, Leitao; Huang, Qian; Huo, Haohua","Direct Enantioselective C(sp<sup>3</sup>)-H Acylation for the Synthesis of α-Amino Ketones.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10471","","x-ray","1.54184","CuKα","","0.0408","0.0403","","","0.1053","0.1059","","","","","","1.065","","","","has coordinates","258670","2020-11-01","00:07:24",""
"4135332","39.5169","0.0007","11.9534","0.0002","12.6942","0.0002","90","","90","","90","","5996.25","0.17","170","2","169.97","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C29 H33 N O4 S -","- C29 H33 N O4 S -","- C232 H264 N8 O32 S8 -","8","2","","Wang, Ye; Zhang, Wen-Yun; Xie, Jia-Hao; Yu, Zong-Lun; Tan, Jia-Hao; Zheng, Chao; Hou, Xue-Long; You, Shu-Li","Enantioselective Desymmetrization of Bisphenol Derivatives via Ir-Catalyzed Allylic Dearomatization.","Journal of the American Chemical Society","2020","142","45","19354","19359","10.1021/jacs.0c09638","","","1.34139","GaKα","","0.063","0.0488","","","0.1203","0.129","","","","","","1.043","","","","has coordinates","259525","2020-12-04","02:23:31",""
"4135333","27.8647","0.0009","8.5749","0.0003","12.588","0.0004","90","","94.3636","0.0013","90","","2999.02","0.17","296","2","296.15","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C29 H38 O11 -","- C29 H38 O11 -","- C116 H152 O44 -","4","1","","Wang, Ye; Zhang, Wen-Yun; Xie, Jia-Hao; Yu, Zong-Lun; Tan, Jia-Hao; Zheng, Chao; Hou, Xue-Long; You, Shu-Li","Enantioselective Desymmetrization of Bisphenol Derivatives via Ir-Catalyzed Allylic Dearomatization.","Journal of the American Chemical Society","2020","142","45","19354","19359","10.1021/jacs.0c09638","","","1.54178","CuKα","","0.046","0.0442","","","0.1053","0.1065","","","","","","1.119","","","","has coordinates","259525","2020-12-04","02:23:41",""
"4135334","12.452","0.003","26.389","0.007","36.476","0.009","90","","90","","90","","11986","5","170.15","","170.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C54 H62 Cl9 N3 O12 -","- C54 H62 Cl9 N3 O12 -","- C432 H496 Cl72 N24 O96 -","8","1","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","0.71073","MoKα","","0.083","0.0675","","","0.1803","0.1952","","","","","","1.027","","","","has coordinates,has disorder","259515","2020-12-04","02:18:54",""
"4135335","11.1358","0.0019","11.707","0.0019","27.45","0.005","80.177","0.005","82.927","0.006","70.428","0.005","3314","1","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H82 Cl8 N4 O17 -","- C55 H82 Cl8 N4 O17 -","- C110 H164 Cl16 N8 O34 -","2","1","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","0.71073","MoKα","","0.1333","0.0871","","","0.2195","0.2486","","","","","","1.028","","","","has coordinates,has disorder","259515","2020-12-04","02:18:55",""
"4135336","20.2673","0.0006","12.7006","0.0004","20.9446","0.0006","90","","108.196","0.001","90","","5121.7","0.3","170","2","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C53 H71 N3 O16 -","- C53 H71 N3 O16 -","- C212 H284 N12 O64 -","4","0.5","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","0.71073","MoKα","","0.0763","0.0651","","","0.1792","0.1914","","","","","","1.032","","","","has coordinates,has disorder","259515","2020-12-04","02:18:55",""
"4135337","12.0165","0.0005","18.208","0.0008","25.1259","0.0011","90","","90","","90","","5497.5","0.4","170","2","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H76 N4 O15 -","- C56 H76 N4 O15 -","- C224 H304 N16 O60 -","4","1","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","1.54178","CuKα","","0.0591","0.0564","","","0.1599","0.1631","","","","","","1.062","","","","has coordinates,has disorder","259515","2020-12-04","02:18:55",""
"4135338","11.8167","0.0009","19.4344","0.0018","20.4342","0.0017","90","","95.609","0.003","90","","4670.3","0.7","170","2","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H60 Cl N3 O12 -","- C51 H60 Cl N3 O12 -","- C204 H240 Cl4 N12 O48 -","4","1","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","0.71073","MoKα","","0.0805","0.064","","","0.1668","0.1826","","","","","","1.082","","","","has coordinates","259515","2020-12-04","02:18:55",""
"4135339","21.5851","0.0011","14.7231","0.0008","15.1871","0.0008","90","","94.212","0.002","90","","4813.4","0.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C108 H112 O Si4 -","- C116 H128 O2 Si4 -","- C232 H256 O4 Si8 -","2","0.5","","Bergman, Harrison M.; Kiel, Gavin R.; Witzke, Ryan J.; Nenon, David P.; Schwartzberg, Adam M.; Liu, Yi; Tilley, T. Don","Shape-Selective Synthesis of Pentacene Macrocycles and the Effect of Geometry on Singlet Fission.","Journal of the American Chemical Society","2020","142","47","19850","19855","10.1021/jacs.0c09941","","x-ray","0.7288","synchrotron","","0.105","0.0899","","","0.2502","0.2642","","","","","","1.097","","","","has coordinates,has disorder","259516","2020-12-04","02:19:53",""
"4135340","21.0146","0.0009","17.8252","0.0008","16.958","0.0007","90","","90.02","0.002","90","","6352.3","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C156 H146 O4 Si4 -","- C156 H164 O4 Si4 -","- C312 H328 O8 Si8 -","2","0.5","","Bergman, Harrison M.; Kiel, Gavin R.; Witzke, Ryan J.; Nenon, David P.; Schwartzberg, Adam M.; Liu, Yi; Tilley, T. Don","Shape-Selective Synthesis of Pentacene Macrocycles and the Effect of Geometry on Singlet Fission.","Journal of the American Chemical Society","2020","142","47","19850","19855","10.1021/jacs.0c09941","","","0.7288","synchrotron","","0.084","0.0644","","","0.1551","0.1687","","","","","","1.038","","","","has coordinates,has disorder","259516","2020-12-04","02:19:54",""
"4135341","11.8612","0.0005","14.1474","0.0007","14.9784","0.0008","100.353","0.002","102.176","0.002","107.043","0.002","2269.2","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C106 H70 Cl18 -","- C106 H70 Cl18 -","- C106 H70 Cl18 -","1","0.5","","Bergman, Harrison M.; Kiel, Gavin R.; Witzke, Ryan J.; Nenon, David P.; Schwartzberg, Adam M.; Liu, Yi; Tilley, T. Don","Shape-Selective Synthesis of Pentacene Macrocycles and the Effect of Geometry on Singlet Fission.","Journal of the American Chemical Society","2020","142","47","19850","19855","10.1021/jacs.0c09941","","","0.7288","synchrotron","","0.1224","0.0892","","","0.2729","0.2902","","","","","","1.144","","","","has coordinates,has disorder","259516","2020-12-04","02:19:54",""
"4135342","26.7857","0.0015","12.5558","0.0007","25.1482","0.0014","90","","118.957","0.003","90","","7400.4","0.7","170","2","170.02","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C76 H95 O14 -","- C76 H95 O14 -","- C304 H380 O56 -","4","0.5","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.1509","0.1408","","","0.3477","0.3525","","","","","","0.922","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135343","13.5823","0.0003","22.8453","0.0006","20.4508","0.0005","90","","100.373","0.001","90","","6242","0.3","170","2","170.02","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C67 H86 O12 -","- C67 H86 O12 -","- C268 H344 O48 -","4","1","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.0608","0.0512","","","0.1311","0.1398","","","","","","1.022","","","","has coordinates","259514","2020-12-04","02:18:29",""
"4135344","14.1746","0.0004","16.4665","0.0006","19.6666","0.0006","79.172","0.002","77.599","0.002","72.479","0.002","4237.6","0.2","170","2","169.97","","","","","","","","","4","P -1","-P 1","2","","","","- C71 H78 Br12 O13 -","- C71 H78 Br12 O13 -","- C142 H156 Br24 O26 -","2","1","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.1333","0.1095","","","0.2601","0.2756","","","","","","0.925","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135345","28.6532","0.0017","12.3731","0.0008","44.242","0.003","90","","108.836","0.002","90","","14845.1","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C67 H76 Br10 O12 -","- C67 H76 Br10 O12 -","- C536 H608 Br80 O96 -","8","1","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.54178","CuKα","","0.2183","0.1619","","","0.3888","0.4225","","","","","","1.563","","","","has coordinates","259514","2020-12-04","02:18:29",""
"4135346","12.8203","0.0003","12.9026","0.0003","12.9306","0.0003","61.278","0.001","73.375","0.001","78.559","0.001","1792.62","0.07","170","2","169.99","","","","","","","","","3","P -1","-P 1","2","","","","- C78 H100 O14 -","- C78 H100 O14 -","- C78 H100 O14 -","1","0.5","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.0578","0.0543","","","0.147","0.1518","","","","","","1.037","","","","has coordinates","259514","2020-12-04","02:18:29",""
"4135347","13.8496","0.0002","23.998","0.0003","25.2072","0.0003","90","","90","","90","","8377.93","0.19","170","2","169.99","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C78 H88 Br12 O14 -","- C78 H88 Br12 O14 -","- C312 H352 Br48 O56 -","4","0.5","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.0421","0.0391","","","0.1017","0.1041","","","","","","1.037","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135348","24.4691","0.0009","20.7774","0.0008","12.8545","0.0005","90","","90","","90","","6535.3","0.4","170","2","169.98","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C60 H66 Br10 O11 -","- C60 H66 Br10 O11 -","- C240 H264 Br40 O44 -","4","0.5","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.1304","0.0982","","","0.2904","0.3197","","","","","","1.173","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135349","13.167","0.003","14.706","0.004","30.336","0.007","87.834","0.008","86.789","0.008","85.765","0.009","5845","2","170","2","170.15","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H76 O11 -","- C60 H76 O11 -","- C240 H304 O44 -","4","2","","Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.","Journal of the American Chemical Society","2020","142","46","19722","19730","10.1021/jacs.0c09757","","","1.34139","GaKα","","0.204","0.1337","","","0.3072","0.3712","","","","","","0.788","","","","has coordinates,has disorder","259514","2020-12-04","02:18:29",""
"4135350","8.8938","0.0003","5.9958","0.0002","9.519","0.0003","90","","94.883","0.001","90","","505.76","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 Br N -","- C11 H14 Br N -","- C22 H28 Br2 N2 -","2","1","","Yan, Xingchen; Ge, Luo; Castiñeira Reis, Marta; Harutyunyan, Syuzanna R.","Nucleophilic Dearomatization of N-Heteroaromatics Enabled by Lewis Acids and Copper Catalysis.","Journal of the American Chemical Society","2020","142","47","20247","20256","10.1021/jacs.0c09974","","","1.54178","CuKα","","0.0176","0.0174","","","0.042","0.0421","","","","","","1.076","","","","has coordinates","259518","2020-12-04","02:20:24",""
"4135351","11.3762","0.0003","12.0964","0.0003","18.5162","0.0005","98.867","0.001","102.089","0.001","113.854","0.001","2195.93","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H68 O3 Si3 Ti3 -","- C39 H68 O3 Si3 Ti3 -","- C78 H136 O6 Si6 Ti6 -","2","1","","Hu, Shaowei; Shima, Takanori; Hou, Zhaomin","Hydrodeoxygenative Cyclotetramerization of Carbon Monoxide by a Trinuclear Titanium Polyhydride Complex.","Journal of the American Chemical Society","2020","142","47","19889","19894","10.1021/jacs.0c10403","","","0.71073","MoKα","","0.0589","0.0472","","","0.1187","0.1254","","","","","","1.029","","","","has coordinates","259519","2020-12-04","02:20:46",""
"4135352","10.0717","0.0017","11.556","0.002","12.004","0.002","61.262","0.006","73.979","0.006","81.524","0.006","1177.3","0.4","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C41 H70 O5 Si3 Ti3 -","- C41 H70 O5 Si3 Ti3 -","- C41 H70 O5 Si3 Ti3 -","1","1","","Hu, Shaowei; Shima, Takanori; Hou, Zhaomin","Hydrodeoxygenative Cyclotetramerization of Carbon Monoxide by a Trinuclear Titanium Polyhydride Complex.","Journal of the American Chemical Society","2020","142","47","19889","19894","10.1021/jacs.0c10403","","","0.71073","MoKα","","0.0465","0.0385","","","0.0925","0.0966","","","","","","1.006","","","","has coordinates","259519","2020-12-04","02:20:46",""
"4135353","8.7584","0.0015","14.858","0.002","20.54","0.004","70.651","0.005","86.515","0.006","78.122","0.006","2467.9","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H36.5 N0.5 O2.5 Si1.5 Ti1.5 -","- C23 H36.5 N0.5 O2.5 Si1.5 Ti1.5 -","- C92 H146 N2 O10 Si6 Ti6 -","4","2","","Hu, Shaowei; Shima, Takanori; Hou, Zhaomin","Hydrodeoxygenative Cyclotetramerization of Carbon Monoxide by a Trinuclear Titanium Polyhydride Complex.","Journal of the American Chemical Society","2020","142","47","19889","19894","10.1021/jacs.0c10403","","","0.71073","MoKα","","0.14","0.0608","","","0.1069","0.1305","","","","","","1.003","","","","has coordinates","259519","2020-12-04","02:20:46",""
"4135354","20.8973","0.0011","11.6751","0.0006","19.2927","0.0011","90","","90","","90","","4707","0.4","173.15","","173.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H70 O5 Si3 Ti3 -","- C41 H70 O5 Si3 Ti3 -","- C164 H280 O20 Si12 Ti12 -","4","1","","Hu, Shaowei; Shima, Takanori; Hou, Zhaomin","Hydrodeoxygenative Cyclotetramerization of Carbon Monoxide by a Trinuclear Titanium Polyhydride Complex.","Journal of the American Chemical Society","2020","142","47","19889","19894","10.1021/jacs.0c10403","","","0.71073","MoKα","","0.0613","0.0587","","","0.1585","0.1611","","","","","","1.036","","","","has coordinates,has disorder","259519","2020-12-04","02:20:46",""
"4135355","7.19727","0.00016","10.5288","0.0002","24.3626","0.0006","90","","90","","90","","1846.16","0.07","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Cl2 Fe N2 -","- C14 H28 Cl2 Fe N2 -","- C56 H112 Cl8 Fe4 N8 -","4","1","","Braconi, Elena; Götzinger, Alissa C; Cramer, Nicolai","Enantioselective Iron-Catalyzed Cross-[4+4]-Cycloaddition of 1,3-Dienes Provides Chiral Cyclooctadienes.","Journal of the American Chemical Society","2020","142","47","19819","19824","10.1021/jacs.0c09486","","x-ray","0.71073","MoKα","","0.0442","0.0365","","","0.0782","0.0821","","","","","","1.062","","","","has coordinates","259517","2020-12-04","02:20:16",""
"4135356","10.40448","0.00016","10.40448","0.00016","9.2611","0.0002","90","","90","","90","","1002.54","0.03","140","0.1","140","0.1","","","","","","","","5","P 42","P 4c","77","","","","- C20 H24 Cl2 Fe N2 -","- C20 H24 Cl2 Fe N2 -","- C40 H48 Cl4 Fe2 N4 -","2","0.5","","Braconi, Elena; Götzinger, Alissa C; Cramer, Nicolai","Enantioselective Iron-Catalyzed Cross-[4+4]-Cycloaddition of 1,3-Dienes Provides Chiral Cyclooctadienes.","Journal of the American Chemical Society","2020","142","47","19819","19824","10.1021/jacs.0c09486","","x-ray","0.71073","MoKα","","0.0291","0.0259","","","0.0616","0.0633","","","","","","1.04","","","","has coordinates","259517","2020-12-04","02:20:16",""
"4135357","7.33605","0.00014","11.0844","0.0002","26.8365","0.0005","90","","90","","90","","2182.23","0.07","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H36 Cl2 Fe N2 -","- C18 H36 Cl2 Fe N2 -","- C72 H144 Cl8 Fe4 N8 -","4","1","","Braconi, Elena; Götzinger, Alissa C; Cramer, Nicolai","Enantioselective Iron-Catalyzed Cross-[4+4]-Cycloaddition of 1,3-Dienes Provides Chiral Cyclooctadienes.","Journal of the American Chemical Society","2020","142","47","19819","19824","10.1021/jacs.0c09486","","x-ray","1.54184","CuKα","","0.0236","0.0231","","","0.0607","0.0612","","","","","","1.036","","","","has coordinates","259517","2020-12-04","02:20:16",""
"4135358","14.5785","0.0005","11.9443","0.0004","10.9829","0.0005","90","","90","","90","","1912.45","0.13","140","0.1","140","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C46 H52 Cl2 Rh2 -","- C46 H52 Cl2 Rh2 -","- C92 H104 Cl4 Rh4 -","2","0.5","","Braconi, Elena; Götzinger, Alissa C; Cramer, Nicolai","Enantioselective Iron-Catalyzed Cross-[4+4]-Cycloaddition of 1,3-Dienes Provides Chiral Cyclooctadienes.","Journal of the American Chemical Society","2020","142","47","19819","19824","10.1021/jacs.0c09486","","x-ray","0.71073","MoKα","","0.0343","0.027","","","0.0504","0.0536","","","","","","1.054","","","","has coordinates","259517","2020-12-04","02:20:16",""
"4135359","10.7128","0.0015","12.9374","0.0017","32.667","0.004","90","","96.259","0.003","90","","4500.5","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H102 Cl4 N6 O16 Rh4 -","- C90 H102 Cl4 N6 O16 Rh4 -","- C180 H204 Cl8 N12 O32 Rh8 -","2","0.5","","Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.","Journal of the American Chemical Society","2020","142","47","19862","19867","10.1021/jacs.0c09842","","","0.41328","synchrotron","","0.0431","0.0362","","","0.0871","0.0902","","","","","","1.078","","","","has coordinates","259520","2020-12-04","02:21:12",""
"4135360","12.8813","0.0018","12.9498","0.0018","18.331","0.003","90","","102.871","0.002","90","","2981","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 Cl6 N6 O8 Rh2 -","- C58 H60 Cl6 N6 O8 Rh2 -","- C116 H120 Cl12 N12 O16 Rh4 -","2","0.5","","Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.","Journal of the American Chemical Society","2020","142","47","19862","19867","10.1021/jacs.0c09842","","","0.41328","synchrotron","","0.0603","0.0449","","","0.1081","0.1173","","","","","","1.054","","","","has coordinates","259520","2020-12-04","02:21:12",""
"4135361","15.6237","0.0009","17.2551","0.0008","19.6274","0.0013","111.577","0.002","94.521","0.002","96.215","0.002","4851.2","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C184 H204 Cl24 N4 O32 Rh8 -","- C184 H204 Cl24 N4 O32 Rh8 -","- C184 H204 Cl24 N4 O32 Rh8 -","1","0.5","","Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.","Journal of the American Chemical Society","2020","142","47","19862","19867","10.1021/jacs.0c09842","","x-ray","0.71073","MoKα","","0.0465","0.0386","","","0.0819","0.0854","","","","","","1.101","","","","has coordinates","259520","2020-12-04","02:21:12",""
"4135362","10.9316","0.0008","12.9312","0.0009","32.433","0.002","90","","99.31","0.001","90","","4524.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H102 Cl4 N6 O16 Rh4 -","- C90 H102 Cl4 N6 O16 Rh4 -","- C180 H204 Cl8 N12 O32 Rh8 -","2","0.5","","Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.","Journal of the American Chemical Society","2020","142","47","19862","19867","10.1021/jacs.0c09842","","","0.41328","synchrotron","","0.0508","0.042","","","0.1101","0.1156","","","","","","1.045","","","","has coordinates","259520","2020-12-04","02:21:12",""
"4135363","12.961","0.002","12.909","0.002","18.381","0.003","90","","100.334","0.002","90","","3025.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 Cl6 N4.28 O8 Rh2 -","- C58 H60 Cl6 N4.276 O8 Rh2 -","- C116 H120 Cl12 N8.552 O16 Rh4 -","2","0.5","","Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","<i>In Crystallo</i> Snapshots of Rh<sub>2</sub>-Catalyzed C-H Amination.","Journal of the American Chemical Society","2020","142","47","19862","19867","10.1021/jacs.0c09842","","","0.41328","synchrotron","","0.0615","0.0447","","","0.1149","0.1242","","","","","","1.082","","","","has coordinates,has disorder","259520","2020-12-04","02:21:12",""
"4135364","7.9196","0.0003","8.505","0.0004","27.304","0.0012","90","","90","","90","","1839.09","0.14","170","2","169.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N O2 P -","- C20 H26 N O2 P -","- C80 H104 N4 O8 P4 -","4","1","","Li, Yan-Bo; Tian, Hu; Yin, Liang","Copper(I)-Catalyzed Asymmetric 1,4-Conjugate Hydrophosphination of α,β-Unsaturated Amides.","Journal of the American Chemical Society","2020","142","47","20098","20106","10.1021/jacs.0c09654","","","1.34139","GaKα","","0.0613","0.0479","","","0.1076","0.117","","","","","","1.039","","","","has coordinates","259521","2020-12-04","02:21:26",""
"4135365","16.0085","0.0003","7.8446","0.0002","16.2448","0.0004","90","","93.22","0.001","90","","2036.81","0.08","170","2","169.99","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H28 N O2 P -","- C21 H28 N O2 P -","- C84 H112 N4 O8 P4 -","4","1","","Li, Yan-Bo; Tian, Hu; Yin, Liang","Copper(I)-Catalyzed Asymmetric 1,4-Conjugate Hydrophosphination of α,β-Unsaturated Amides.","Journal of the American Chemical Society","2020","142","47","20098","20106","10.1021/jacs.0c09654","","","1.34139","GaKα","","0.0391","0.0366","","","0.0946","0.097","","","","","","1.056","","","","has coordinates","259521","2020-12-04","02:21:26",""
"4135366","10.6291","0.0003","31.7456","0.0008","11.4376","0.0003","90","","92.961","0.001","90","","3854.2","0.18","193","","193.01","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H41 Cl N2 O4 P2 Pd -","- C40 H41 Cl N2 O4 P2 Pd -","- C160 H164 Cl4 N8 O16 P8 Pd4 -","4","2","","Li, Yan-Bo; Tian, Hu; Yin, Liang","Copper(I)-Catalyzed Asymmetric 1,4-Conjugate Hydrophosphination of α,β-Unsaturated Amides.","Journal of the American Chemical Society","2020","142","47","20098","20106","10.1021/jacs.0c09654","","","0.71073","MoKα","","0.0357","0.032","","","0.0962","0.1021","","","","","","0.808","","","","has coordinates","259521","2020-12-04","02:21:26",""
"4135367","19.3198","0.0009","19.3198","0.0009","20.7955","0.0013","90","","90","","120","","6722.1","0.6","193","2","193","2","","","","","","","","6","P 61","P 61","169","","","","- C32 H22 Mn2 Ni O10 S4 -","- C32 H20 Mn2 Ni O10 S4 -","- C192 H120 Mn12 Ni6 O60 S24 -","6","1","","Zhou, Yan; Hu, Qin; Yu, Fei; Ran, Guang-Ying; Wang, Hai-Ying; Shepherd, Nicholas D.; D'Alessandro, Deanna M; Kurmoo, Mohamedally; Zuo, Jing-Lin","A Metal-Organic Framework Based on a Nickel Bis(dithiolene) Connector: Synthesis, Crystal Structure, and Application as an Electrochemical Glucose Sensor.","Journal of the American Chemical Society","2020","142","48","20313","20317","10.1021/jacs.0c09009","","","1.34139","GaKα","","0.098","0.0673","","","0.1688","0.1874","","","","","","1.018","","","","has coordinates","259522","2020-12-04","02:21:42",""
"4135368","13.408","0.002","18.225","0.002","7.9041","0.0011","90","","94.302","0.006","90","","1926","0.4","150","","150","","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N2 O2 -","- C27 H20 N2 O2 -","- C108 H80 N8 O8 -","4","0.5","","Kasemthaveechok, Sitthichok; Abella, Laura; Jean, Marion; Cordier, Marie; Roisnel, Thierry; Vanthuyne, Nicolas; Guizouarn, Thierry; Cador, Olivier; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Axially and Helically Chiral Cationic Radical Bicarbazoles: SOMO-HOMO Level Inversion and Chirality Impact on the Stability of Mono- and Diradical Cations.","Journal of the American Chemical Society","2020","142","48","20409","20418","10.1021/jacs.0c08948","","x-ray","0.71073","MoKα","","0.0697","0.0572","","","0.1507","0.1631","","","","","","1.063","","","","has coordinates","259524","2020-12-04","02:22:29",""
"4135369","16.902","0.003","9.9528","0.0018","17.758","0.002","90","","99.9","0.006","90","","2942.8","0.8","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 N2 O2 -","- C35 H36 N2 O2 -","- C140 H144 N8 O8 -","4","1","","Kasemthaveechok, Sitthichok; Abella, Laura; Jean, Marion; Cordier, Marie; Roisnel, Thierry; Vanthuyne, Nicolas; Guizouarn, Thierry; Cador, Olivier; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Axially and Helically Chiral Cationic Radical Bicarbazoles: SOMO-HOMO Level Inversion and Chirality Impact on the Stability of Mono- and Diradical Cations.","Journal of the American Chemical Society","2020","142","48","20409","20418","10.1021/jacs.0c08948","","x-ray","0.71073","MoKα","","0.1255","0.0917","","","0.2346","0.2641","","","","","","1.078","","","","has coordinates,has disorder","259524","2020-12-04","02:22:37",""
"4135370","13.139","0.0017","34.437","0.005","13.4698","0.0019","90","","92.046","0.005","90","","6090.8","1.5","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 N2 O2 -","- C36 H40 N2 O2 -","- C288 H320 N16 O16 -","8","2","","Kasemthaveechok, Sitthichok; Abella, Laura; Jean, Marion; Cordier, Marie; Roisnel, Thierry; Vanthuyne, Nicolas; Guizouarn, Thierry; Cador, Olivier; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Axially and Helically Chiral Cationic Radical Bicarbazoles: SOMO-HOMO Level Inversion and Chirality Impact on the Stability of Mono- and Diradical Cations.","Journal of the American Chemical Society","2020","142","48","20409","20418","10.1021/jacs.0c08948","","x-ray","0.71073","MoKα","","0.092","0.0601","","","0.1397","0.1577","","","","","","0.992","","","","has coordinates","259524","2020-12-04","02:22:43",""
"4135371","9.5316","0.001","9.9882","0.0011","12.1305","0.0013","74.757","0.004","77.144","0.004","74.314","0.004","1058.4","0.2","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C56 H48 N4 O4 -","2","1","","Kasemthaveechok, Sitthichok; Abella, Laura; Jean, Marion; Cordier, Marie; Roisnel, Thierry; Vanthuyne, Nicolas; Guizouarn, Thierry; Cador, Olivier; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Axially and Helically Chiral Cationic Radical Bicarbazoles: SOMO-HOMO Level Inversion and Chirality Impact on the Stability of Mono- and Diradical Cations.","Journal of the American Chemical Society","2020","142","48","20409","20418","10.1021/jacs.0c08948","","x-ray","0.71073","MoKα","","0.0619","0.0466","","","0.1179","0.1269","","","","","","1.045","","","","has coordinates,has disorder","259524","2020-12-04","02:22:44",""
"4135372","10.1005","0.0005","11.4816","0.0006","15.6108","0.0008","84.1313","0.0017","74.5085","0.0015","70.8989","0.0015","1648.34","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N3 O2 -","- C19 H23 N3 O2 -","- C76 H92 N12 O8 -","4","2","","Jeon, Jinwon; Lee, Changseok; Seo, Huiyeong; Hong, Sungwoo","NiH-Catalyzed Proximal-Selective Hydroamination of Unactivated Alkenes.","Journal of the American Chemical Society","2020","142","48","20470","20480","10.1021/jacs.0c10333","","","0.71073","MoKα","","0.0581","0.0479","","","0.1065","0.1132","","","","","","1.076","","","","has coordinates,has disorder","259523","2020-12-04","02:21:58",""
"4135373","12.1484","0.0005","12.2854","0.0005","24.5486","0.0009","90","","98.0774","0.0014","90","","3627.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C160 H200 N24 O16 -","8","2","","Jeon, Jinwon; Lee, Changseok; Seo, Huiyeong; Hong, Sungwoo","NiH-Catalyzed Proximal-Selective Hydroamination of Unactivated Alkenes.","Journal of the American Chemical Society","2020","142","48","20470","20480","10.1021/jacs.0c10333","","","0.71073","MoKα","","0.0922","0.0695","","","0.137","0.1463","","","","","","1.138","","","","has coordinates,has disorder","259523","2020-12-04","02:22:07",""
"4135374","13.3692","0.0009","22.2187","0.0016","22.4798","0.0018","113.514","0.003","102.465","0.003","97.137","0.004","5811.4","0.8","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C111 H96 F24 N24 Ni2 P4 -","- C111 H96 F24 N24 Ni2 P4 -","- C222 H192 F48 N48 Ni4 P8 -","2","1","","Hooper, Catherine A. J.; Cardo, Lucia; Craig, James S.; Melidis, Lazaros; Garai, Aditya; Egan, Ross T.; Sadovnikova, Viktoriia; Burkert, Florian; Male, Louise; Hodges, Nikolas J.; Browning, Douglas F.; Rosas, Roselyne; Liu, Fengbo; Rocha, Fillipe V.; Lima, Mauro A.; Liu, Simin; Bardelang, David; Hannon, Michael J.","Rotaxanating Metallo-supramolecular Nano-cylinder Helicates to Switch DNA Junction Binding","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07750","","","0.71073","MoKα","","0.4031","0.1942","","","0.2928","0.39","","","","","","1.043","","","","has coordinates","259210","2020-11-20","23:56:30",""
"4135375","14.6717","0.0004","18.6418","0.0005","22.0009","0.0004","66.665","0.002","83.538","0.002","80.35","0.001","5439.9","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C108.5 H94.5 F24 Fe2 N25 P4 -","- C108.5 H94.5 F24 Fe2 N25 P4 -","- C217 H189 F48 Fe4 N50 P8 -","2","1","","Hooper, Catherine A. J.; Cardo, Lucia; Craig, James S.; Melidis, Lazaros; Garai, Aditya; Egan, Ross T.; Sadovnikova, Viktoriia; Burkert, Florian; Male, Louise; Hodges, Nikolas J.; Browning, Douglas F.; Rosas, Roselyne; Liu, Fengbo; Rocha, Fillipe V.; Lima, Mauro A.; Liu, Simin; Bardelang, David; Hannon, Michael J.","Rotaxanating Metallo-supramolecular Nano-cylinder Helicates to Switch DNA Junction Binding","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07750","","","0.71073","MoKα","","0.1686","0.1041","","","0.1806","0.2129","","","","","","1.064","","","","has coordinates,has disorder","259211","2020-11-20","23:56:58",""
"4135376","3.3823","0.0001","5.453","0.0003","9.2505","0.0004","90","","96.88","0.004","90","","169.385","0.013","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C H F0 Na O4 Zn -","- C H Na O4 Zn -","- C2 H2 Na2 O8 Zn2 -","2","1","","Peng, Guang; Lin, Chensheng; Ye, Ning","NaZnCO3(OH): A High-Performance Carbonate Ultraviolet Nonlinear Optical Crystal Derived from KBe2BO3F2","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09866","","","1.3405","GaKα","","0.0198","0.0198","","","0.0501","0.0501","","","","","","1.12","","","","has coordinates","259252","2020-11-25","23:43:32",""
"4135377","27.8962","0.0005","13.02525","0.00018","22.6848","0.0004","90","","100.909","0.0018","90","","8093.7","0.2","100","0.3","100","0.3","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C90 H114 K2 N4 O12 -","- C90 H114 K2 N4 O12 -","- C360 H456 K8 N16 O48 -","4","0.5","","Gadjieva, Natalia A.; Szirmai, Péter; Sági, Olivér; Alemany, Pere; Bartholomew, Amymarie K.; Stone, Ilana; Conejeros, Sergio; Paley, Daniel W.; Hernández Sánchez, Raúl; Fowler, Brandon; Peurifoy, Samuel R.; Náfrádi, Bálint; Forró, László; Roy, Xavier; Batail, Patrick; Canadell, Enric; Steigerwald, Michael L.; Nuckolls, Colin","Intermolecular Resonance Correlates Electron Pairs Down a Supermolecular Chain: Antiferromagnetism in K-Doped p-Terphenyl","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05606","","x-ray","1.54184","CuKα","","0.048","0.0376","","","0.0904","0.0967","","","","","","1.009","","","","has coordinates,has disorder","259253","2020-11-25","23:44:06",""
"4135378","11.84648","0.00007","6.18222","0.00005","21.5257","0.00012","90","","90.2727","0.0005","90","","1576.47","0.018","294.15","","294.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 B F N -","- C18 H21 B F N -","- C72 H84 B4 F4 N4 -","4","1","","Yang, Ji-Min; Guo, Feng-Kai; Zhao, Yu-Tao; Zhang, Qiao; Huang, Ming-Yao; Li, Mao-Lin; Zhu, Shou-Fei; Zhou, Qi-Lin","Insertion of Alkylidene Carbenes into B-H Bonds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09596","","x-ray","1.54184","CuKα","","0.0434","0.0413","","","0.1148","0.1167","","","","","","1.063","","","","has coordinates","259263","2020-11-26","23:49:58",""
"4135379","25.7295","0.0003","11.2014","0.0001","25.9806","0.0003","90","","109.322","0.001","90","","7066.02","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H102 N2 O6 P4 Ru2 -","- C75 H102 N2 O6 P4 Ru2 -","- C300 H408 N8 O24 P16 Ru8 -","4","1","","Tang, Shan; Rauch, Michael; Montag, Michael; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Catalytic Oxidative Deamination by Water with H<sub>2</sub> Liberation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10826","","x-ray","1.54184","CuKα","","0.0389","0.0321","","","0.0795","0.0827","","","","","","1.034","","","","has coordinates,has disorder","259264","2020-11-26","23:50:28",""
"4135380","21.279","0.002","12.954","0.0012","12.0149","0.0011","90","","90","","90","","3311.9","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H43 Au N2 O3 -","- C38 H43 Au N2 O3 -","- C152 H172 Au4 N8 O12 -","4","1","","Sen, Sajal; Hufnagel, Stephanie; Maier, Esther Y.; Aguilar, Isaiah; Selvakumar, Jayaraman; DeVore, Jennie E.; Lynch, Vincent M.; Arumugam, Kuppuswamy; Cui, Zhengrong; Sessler, Jonathan L.; Arambula, Jonathan F.","Rationally Designed Redox-Active Au(I) N-Heterocyclic Carbene: An Immunogenic Cell Death Inducer.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09753","","","0.71073","MoKα","","0.0491","0.0326","","","0.0643","0.0687","","","","","","1.004","","","","has coordinates","259265","2020-11-26","23:50:55",""
"4135381","11.7196","0.0012","19.7733","0.0008","19.8993","0.0012","90","","93.504","0.007","90","","4602.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H56 Au Cl N4 O3 -","- C49 H56 Au Cl N4 O3 -","- C196 H224 Au4 Cl4 N16 O12 -","4","1","","Sen, Sajal; Hufnagel, Stephanie; Maier, Esther Y.; Aguilar, Isaiah; Selvakumar, Jayaraman; DeVore, Jennie E.; Lynch, Vincent M.; Arumugam, Kuppuswamy; Cui, Zhengrong; Sessler, Jonathan L.; Arambula, Jonathan F.","Rationally Designed Redox-Active Au(I) N-Heterocyclic Carbene: An Immunogenic Cell Death Inducer.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09753","","","1.54184","CuKα","","0.0405","0.0364","","","0.0928","0.0973","","","","","","1.041","","","","has coordinates","259266","2020-11-26","23:51:23",""
"4135382","15.0983","0.0004","19.1026","0.0005","10.0922","0.0002","90","","90","","90","","2910.76","0.12","120","","120.01","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C27 H39 Al N3 O2 P2 Rh -","- C27 H39 Al N3 O2 P2 Rh -","- C108 H156 Al4 N12 O8 P8 Rh4 -","4","0.5","","Lai, Qingheng; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Unexpected B/Al Transelementation within a Rh Pincer Complex.","Journal of the American Chemical Society","2020","142","50","20920","20923","10.1021/jacs.0c09344","","x-ray","0.71073","MoKα","","0.0225","0.0194","","","0.0452","0.0476","","","","","","1.077","","","","has coordinates","260429","2021-01-04","03:14:30",""
"4135383","12.21","0.003","14.684","0.003","14.725","0.003","90","","111.369","0.006","90","","2458.6","0.9","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 B N2 O2 P2 Rh -","- C22 H34 B N2 O2 P2 Rh -","- C88 H136 B4 N8 O8 P8 Rh4 -","4","1","","Lai, Qingheng; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Unexpected B/Al Transelementation within a Rh Pincer Complex.","Journal of the American Chemical Society","2020","142","50","20920","20923","10.1021/jacs.0c09344","","","0.71073","MoKα","","0.0526","0.0472","","","0.1068","0.1086","","","","","","1.318","","","","has coordinates,has disorder","260429","2021-01-04","03:14:40",""
"4135384","15.278","0.0005","9.6009","0.0003","19.5396","0.0006","90","","93.389","0.002","90","","2861.11","0.16","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H76 Al2 N4 O4 P4 Rh2 -","- C51 H76 Al2 N4 O4 P4 Rh2 -","- C102 H152 Al4 N8 O8 P8 Rh4 -","2","0.5","","Lai, Qingheng; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Unexpected B/Al Transelementation within a Rh Pincer Complex.","Journal of the American Chemical Society","2020","142","50","20920","20923","10.1021/jacs.0c09344","","","0.71073","MoKα","","0.0272","0.0213","","","0.0483","0.0509","","","","","","1.069","","","","has coordinates,has disorder","260429","2021-01-04","03:14:43",""
"4135385","9.22979","0.00012","12.58246","0.00017","12.86856","0.00016","90","","91.0663","0.0011","90","","1494.21","0.03","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br N O2 -","- C16 H16 Br N O2 -","- C64 H64 Br4 N4 O8 -","4","1","","Luan, Zi-Hong; Qu, Jian-Ping; Kang, Yan-Biao","Discovery of Oxygen α-Nucleophilic Addition to α,β-Unsaturated Amides Catalyzed by Redox-Neutral Organic Photoreductant.","Journal of the American Chemical Society","2020","142","50","20942","20947","10.1021/jacs.0c10707","","","1.54184","CuKα","","0.0432","0.0415","","","0.1115","0.1139","","","","","","1.055","","","","has coordinates","260430","2021-01-04","03:14:56",""
"4135386","8.70779","0.00014","9.8648","0.0002","18.3289","0.0003","90","","90","","90","","1574.46","0.05","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Luan, Zi-Hong; Qu, Jian-Ping; Kang, Yan-Biao","Discovery of Oxygen α-Nucleophilic Addition to α,β-Unsaturated Amides Catalyzed by Redox-Neutral Organic Photoreductant.","Journal of the American Chemical Society","2020","142","50","20942","20947","10.1021/jacs.0c10707","","","1.54184","CuKα","","0.0363","0.0351","","","0.0951","0.0966","","","","","","1.055","","","","has coordinates","260430","2021-01-04","03:14:56",""
"4135387","13.6755","0.0007","5.2979","0.0003","31.08","0.0014","90","","92.838","0.005","90","","2249","0.2","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H23 N -","- C33 H23 N -","- C132 H92 N4 -","4","1","","Luan, Zi-Hong; Qu, Jian-Ping; Kang, Yan-Biao","Discovery of Oxygen α-Nucleophilic Addition to α,β-Unsaturated Amides Catalyzed by Redox-Neutral Organic Photoreductant.","Journal of the American Chemical Society","2020","142","50","20942","20947","10.1021/jacs.0c10707","","","1.54184","CuKα","","0.1346","0.0719","","","0.1394","0.1787","","","","","","1.001","","","","has coordinates","260430","2021-01-04","03:14:56",""
"4135388","12.5632","0.0008","10.1388","0.0005","10.1456","0.0005","90","","96.467","0.005","90","","1284.08","0.12","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Luan, Zi-Hong; Qu, Jian-Ping; Kang, Yan-Biao","Discovery of Oxygen α-Nucleophilic Addition to α,β-Unsaturated Amides Catalyzed by Redox-Neutral Organic Photoreductant.","Journal of the American Chemical Society","2020","142","50","20942","20947","10.1021/jacs.0c10707","","","1.54184","CuKα","","0.0467","0.0428","","","0.1162","0.1203","","","","","","1.058","","","","has coordinates","260430","2021-01-04","03:14:56",""
"4135389","12.0621","0.0002","11.3639","0.0002","15.1141","0.0002","90","","90.006","0.002","90","","2071.73","0.06","103","5","103","5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Si3 -","- C20 H28 Si3 -","- C80 H112 Si12 -","4","1","","Lu, Lingxiang; Siu, Juno C.; Lai, Yihuan; Lin, Song","An Electroreductive Approach to Radical Silylation via the Activation of Strong Si-Cl Bond.","Journal of the American Chemical Society","2020","142","51","21272","21278","10.1021/jacs.0c10899","","x-ray","1.54184","CuKα","","0.052","0.0483","","","0.13","0.1328","","","","","","1.098","","","","has coordinates","260426","2021-01-04","03:12:40",""
"4135390","15.4791","0.0013","15.4791","0.0013","26.403","0.002","90","","90","","90","","6326.2","0.9","100","2","99.99","","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C33.75 H36 Cl N2 Ni P2 -","- C33.75 H36 Cl N2 Ni P2 -","- C270 H288 Cl8 N16 Ni8 P16 -","8","1","","Hwang, Seung Jun; Tanushi, Akira; Radosevich, Alexander T.","Enthalpy-Controlled Insertion of a ""Nonspectator"" Tricoordinate Phosphorus Ligand into Group 10 Transition Metal-Carbon Bonds.","Journal of the American Chemical Society","2020","142","51","21285","21291","10.1021/jacs.0c11161","","","0.71073","MoKα","","0.0611","0.0523","","","0.1476","0.1547","","","","","","1.131","","","","has coordinates,has disorder","260425","2021-01-04","03:12:23",""
"4135391","21.249","0.003","18.319","0.002","14.6841","0.0018","90","","101.772","0.001","90","","5595.7","1.2","15","2","15","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H68 Cl2 N6 P4 Pt2 -","- C62 H68 Cl2 N6 P4 Pt2 -","- C248 H272 Cl8 N24 P16 Pt8 -","4","1","","Hwang, Seung Jun; Tanushi, Akira; Radosevich, Alexander T.","Enthalpy-Controlled Insertion of a ""Nonspectator"" Tricoordinate Phosphorus Ligand into Group 10 Transition Metal-Carbon Bonds.","Journal of the American Chemical Society","2020","142","51","21285","21291","10.1021/jacs.0c11161","","","0.24797","synchrotron","","0.0475","0.0463","","","0.1258","0.1262","","","","","","0.969","","","","has coordinates,has disorder","260425","2021-01-04","03:12:24",""
"4135392","18.9534","0.0009","8.4688","0.0004","21.9113","0.0011","90","","107.14","0.0018","90","","3360.8","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H37 N3 O P2 -","- C40 H37 N3 O P2 -","- C160 H148 N12 O4 P8 -","4","2","","Hwang, Seung Jun; Tanushi, Akira; Radosevich, Alexander T.","Enthalpy-Controlled Insertion of a ""Nonspectator"" Tricoordinate Phosphorus Ligand into Group 10 Transition Metal-Carbon Bonds.","Journal of the American Chemical Society","2020","142","51","21285","21291","10.1021/jacs.0c11161","","","0.71073","MoKα","","0.1159","0.0942","","","0.2307","0.2543","","","","","","1.071","","","","has coordinates,has disorder","260425","2021-01-04","03:12:24",""
"4135393","15.426","0.003","15.426","0.003","26.835","0.006","90","","90","","90","","6386","2","15","2","15","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C131 H141 Cl4 F3 N12 P8 Pd4 -","- C131 H141 Cl4 F3 N12 P8 Pd4 -","- C262 H282 Cl8 F6 N24 P16 Pd8 -","2","0.25","","Hwang, Seung Jun; Tanushi, Akira; Radosevich, Alexander T.","Enthalpy-Controlled Insertion of a ""Nonspectator"" Tricoordinate Phosphorus Ligand into Group 10 Transition Metal-Carbon Bonds.","Journal of the American Chemical Society","2020","142","51","21285","21291","10.1021/jacs.0c11161","","","0.24797","synchrotron","","0.0425","0.0371","","","0.097","0.1018","","","","","","1.087","","","","has coordinates,has disorder","260425","2021-01-04","03:12:24",""
"4135394","10.5457","0.0002","10.5457","0.0002","10.5457","0.0002","90","","90","","90","","1172.81","0.04","298","","298","","","","101","","","","synthetic","3","P m -3","-P 2 2 3","200","Fe-THQ","Fe-THQ","","- C18 Fe4 O24 -","- C18 Fe4 O24 -","- C36 Fe8 O48 -","2","0.0833333","","Chen, Gan; Gee, Leland B.; Xu, Wenqian; Zhu, Yanbing; Lezama-Pacheco, Juan S; Huang, Zhehao; Li, Zongqi; Babicz, Jr, Jeffrey T; Choudhury, Snehashis; Chang, Ting-Hsiang; Reed, Evan; Solomon, Edward I.; Bao, Zhenan","Valence-Dependent Electrical Conductivity in a 3D Tetrahydroxyquinone-Based Metal-Organic Framework.","Journal of the American Chemical Society","2020","142","51","21243","21248","10.1021/jacs.0c09379","powder diffraction","x-ray","0.44811","Synchrotronmono-beam","","","","","","","","0.0695","","4.485","","","","","","","has coordinates","260421","2021-01-04","03:10:05",""
"4135395","11.5159","0.0014","26.624","0.003","28.024","0.003","75.516","0.002","86.674","0.002","89.643","0.002","8304.7","1.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C162 H257 B3 Si9 -","- C162 H257 B3 Si9 -","- C324 H514 B6 Si18 -","2","1","","Heitkemper, Tobias; Sarcevic, Julijan; Sindlinger, Christian P.","A Neutral Silicon(II) Half-Sandwich Compound.","Journal of the American Chemical Society","2020","142","51","21304","21309","10.1021/jacs.0c11904","","","0.71073","MoKα","","0.1314","0.0946","","","0.2433","0.27","","","","","","1.11","","","","has coordinates,has disorder","260422","2021-01-04","03:10:38",""
"4135396","46.461","0.002","19.6539","0.0009","20.108","0.0009","90","","91.637","0.002","90","","18353.9","1.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C148 H192 Al2 B2 Cl8 F72 O10 Si6 -","- C148 H192 Al2 B2 Cl8 F72 O10 Si6 -","- C592 H768 Al8 B8 Cl32 F288 O40 Si24 -","4","1","","Heitkemper, Tobias; Sarcevic, Julijan; Sindlinger, Christian P.","A Neutral Silicon(II) Half-Sandwich Compound.","Journal of the American Chemical Society","2020","142","51","21304","21309","10.1021/jacs.0c11904","","","0.71073","MoKα","","0.1111","0.0906","","","0.2419","0.2611","","","","","","1.036","","","","has coordinates,has disorder","260422","2021-01-04","03:10:48",""
"4135397","10.6412","0.0019","13.78","0.003","21.703","0.004","73.982","0.003","80.257","0.003","88.739","0.003","3013.7","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H101 B Li2 O2 Si2 -","- C60 H101 B Li2 O2 Si2 -","- C120 H202 B2 Li4 O4 Si4 -","2","1","","Heitkemper, Tobias; Sarcevic, Julijan; Sindlinger, Christian P.","A Neutral Silicon(II) Half-Sandwich Compound.","Journal of the American Chemical Society","2020","142","51","21304","21309","10.1021/jacs.0c11904","","","0.71073","MoKα","","0.0572","0.0438","","","0.1106","0.1191","","","","","","1.036","","","","has coordinates,has disorder","260422","2021-01-04","03:10:50",""
"4135398","17.3585","0.0003","7.8792","0.0001","21.9818","0.0005","90","","112.747","0.002","90","","2772.63","0.1","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 As F6 N7 Pt -","- C29 H18 As F6 N7 Pt -","- C116 H72 As4 F24 N28 Pt4 -","4","1","","Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.","Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.","Journal of the American Chemical Society","2020","142","51","21353","21367","10.1021/jacs.0c09467","","","0.71073","MoKα","","0.0232","0.0168","","","0.0364","0.0377","","","","","","0.945","","","","has coordinates","260423","2021-01-04","03:11:22",""
"4135399","26.3591","0.0005","15.2165","0.0003","19.67","0.0007","90","","118.351","0.001","90","","6943.2","0.3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H72 As2 Cl2 N14 Pt2 -","- C71 H72 As2 Cl2 N14 Pt2 -","- C284 H288 As8 Cl8 N56 Pt8 -","4","0.5","","Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.","Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.","Journal of the American Chemical Society","2020","142","51","21353","21367","10.1021/jacs.0c09467","","","0.71073","MoKα","","0.0412","0.0285","","","0.0654","0.0689","","","","","","1.024","","","","has coordinates,has disorder","260423","2021-01-04","03:11:30",""
"4135400","17.3133","0.0003","7.8025","0.0001","21.8762","0.0004","90","","112.753","0.001","90","","2725.22","0.08","456","2","456","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 F6 N7 P Pt -","- C29 H18 F6 N7 P Pt -","- C116 H72 F24 N28 P4 Pt4 -","4","1","","Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.","Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.","Journal of the American Chemical Society","2020","142","51","21353","21367","10.1021/jacs.0c09467","","","0.71073","MoKα","","0.0353","0.0246","","","0.0523","0.0541","","","","","","0.943","","","","has coordinates","260423","2021-01-04","03:11:33",""
"4135401","27.3367","0.0014","15.1157","0.0008","19.6084","0.001","90","","116.709","0.001","90","","7237.9","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H36 Cl N7 Pt Sb -","- C35.501 H36 Cl1.002 N7 Pt Sb -","- C284.008 H288 Cl8.016 N56 Pt8 Sb8 -","8","1","","Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.","Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.","Journal of the American Chemical Society","2020","142","51","21353","21367","10.1021/jacs.0c09467","","","0.71073","MoKα","","0.0415","0.0358","","","0.0827","0.0883","","","","","","1.173","","","","has coordinates,has disorder","260423","2021-01-04","03:11:36",""
"4135402","17.3569","0.0005","8.0541","0.0002","21.9642","0.0006","90","","113.066","0.002","90","","2825","0.14","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 F6 N7 Pt Sb -","- C29 H18 F6 N7 Pt Sb -","- C116 H72 F24 N28 Pt4 Sb4 -","4","1","","Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.","Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.","Journal of the American Chemical Society","2020","142","51","21353","21367","10.1021/jacs.0c09467","","","0.71073","MoKα","","0.0309","0.0207","","","0.0422","0.0439","","","","","","0.983","","","","has coordinates","260423","2021-01-04","03:11:45",""
"4135403","11.6432","0.0011","12.2106","0.001","15.1043","0.0016","94.218","0.007","105.721","0.007","114.863","0.005","1831.8","0.3","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H34 Cl6 N2 O6 -","- C38 H34 Cl6 N2 O6 -","- C76 H68 Cl12 N4 O12 -","2","1","","Saal, Fridolin; Zhang, Fangyuan; Holzapfel, Marco; Stolte, Matthias; Michail, Evripidis; Moos, Michael; Schmiedel, Alexander; Krause, Ana-Maria; Lambert, Christoph; Würthner, Frank; Ravat, Prince","[<i>n</i>]Helicene Diimides (<i>n</i> = 5, 6, and 7): Through-Bond versus Through-Space Conjugation.","Journal of the American Chemical Society","2020","142","51","21298","21303","10.1021/jacs.0c11053","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","260424","2021-01-04","03:11:58",""
"4135404","24.9274","0.0017","10.0744","0.0006","13.9318","0.0008","90","","117.911","0.004","90","","3091.7","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 N2 O6 -","- C40 H34 N2 O6 -","- C160 H136 N8 O24 -","4","0.5","","Saal, Fridolin; Zhang, Fangyuan; Holzapfel, Marco; Stolte, Matthias; Michail, Evripidis; Moos, Michael; Schmiedel, Alexander; Krause, Ana-Maria; Lambert, Christoph; Würthner, Frank; Ravat, Prince","[<i>n</i>]Helicene Diimides (<i>n</i> = 5, 6, and 7): Through-Bond versus Through-Space Conjugation.","Journal of the American Chemical Society","2020","142","51","21298","21303","10.1021/jacs.0c11053","","","1.54178","CuKα","","0.0869","0.0643","","","0.1678","0.1863","","","","","","1.04","","","","has coordinates,has disorder","260424","2021-01-04","03:11:58",""
"4135405","6.2249","0.0002","8.8294","0.0002","9.3691","0.0002","90","","90","","90","","514.95","0.02","403","2","403","2","","","","","","","","6","A m m 2","A 2 -2","38","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","0.25","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0179","0.0168","","","0.0341","0.0346","","","","","","1.002","","","","has coordinates","260427","2021-01-04","03:13:18",""
"4135406","6.1587","0.0001","8.8322","0.0002","9.3515","0.0002","90","","90","","90","","508.674","0.018","363","2","363","2","","","","","","","","6","A m m 2","A 2 -2","38","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","0.25","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0212","0.02","","","0.0389","0.0393","","","","","","1.003","","","","has coordinates","260427","2021-01-04","03:13:18",""
"4135407","8.788","0.0003","5.9866","0.0002","9.2245","0.0003","90","","90.03","0.003","90","","485.3","0.03","93","2","93","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","1","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0266","0.0256","","","0.0611","0.0618","","","","","","1","","","","has coordinates","260427","2021-01-04","03:13:18",""
"4135408","8.8349","0.0002","6.0723","0.0001","9.3144","0.0002","90","","90.03","","90","","499.7","0.018","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","1","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0371","0.0367","","","0.094","0.0944","","","","","","1.002","","","","has coordinates","260427","2021-01-04","03:13:19",""
"4135409","8.8138","0.0002","6.0127","0.0001","9.259","0.0002","90","","90.03","0.003","90","","490.678","0.017","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","1","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0312","0.031","","","0.0749","0.0751","","","","","","1.001","","","","has coordinates","260427","2021-01-04","03:13:19",""
"4135410","6.5123","0.0006","7.987","0.0007","19.602","0.014","90","","91.48","0.017","90","","1019.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 F N O5 Re -","- C7 H11 F N O5 Re -","- C28 H44 F4 N4 O20 Re4 -","4","1","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0428","0.0397","","","0.1116","0.114","","","","","","1.05","","","","has coordinates","260427","2021-01-04","03:13:19",""
"4135411","9.134","0.0007","14.443","0.001","15.714","0.001","90","","91.365","0.003","90","","2072.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N3 O3 S -","- C22 H25 N3 O3 S -","- C88 H100 N12 O12 S4 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0659","0.0557","","","0.1519","0.1623","","","","","","1.034","","","","has coordinates","260428","2021-01-04","03:13:41",""
"4135412","7.9874","0.0008","16.3053","0.0015","11.7305","0.0011","90","","93.629","0.003","90","","1524.7","0.3","135","2","135","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N3 O2 S -","- C15 H19 N3 O2 S -","- C60 H76 N12 O8 S4 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0385","0.0359","","","0.0949","0.0974","","","","","","1.052","","","","has coordinates","260428","2021-01-04","03:13:42",""
"4135413","9.4287","0.0003","14.026","0.0005","25.9572","0.0009","90","","98.656","0.001","90","","3393.7","0.2","100","2","99.99","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13.99 H17.25 Cl0.35 F3 N2 O2 S -","- C13.9835 H17.249 Cl0.3505 F3 N2 O2 S -","- C111.868 H137.992 Cl2.804 F24 N16 O16 S8 -","8","2","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0638","0.0553","","","0.1533","0.1622","","","","","","1.045","","","","has coordinates,has disorder","260428","2021-01-04","03:13:42",""
"4135414","11.9671","0.0006","10.6451","0.0006","13.0472","0.0007","90","","95.151","0.002","90","","1655.38","0.15","100","2","100.02","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 F3 N2 -","- C18 H25 F3 N2 -","- C72 H100 F12 N8 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.039","0.0342","","","0.0817","0.0852","","","","","","1.049","","","","has coordinates","260428","2021-01-04","03:13:42",""
"4135415","28.9093","0.0007","6.1109","0.0001","19.8414","0.0004","90","","104.537","0.001","90","","3393","0.12","120","2","120.06","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27.9 H22.9 Cl2.72 F17 N3 O2 S -","- C27.905 H22.905 Cl2.715 F17 N3 O2 S -","- C111.62 H91.62 Cl10.86 F68 N12 O8 S4 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0672","0.049","","","0.1152","0.1277","","","","","","1.034","","","","has coordinates,has disorder","260428","2021-01-04","03:13:42",""
"4135416","15.5602","0.0005","9.1547","0.0003","18.4847","0.0007","90","","110.478","0.002","90","","2466.73","0.15","100","2","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 F3 N3 O4 -","- C24 H28 F3 N3 O4 -","- C96 H112 F12 N12 O16 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0763","0.0525","","","0.1305","0.1466","","","","","","1.029","","","","has coordinates","260428","2021-01-04","03:13:42",""
"4135417","24.7462","0.001","8.7463","0.0004","11.885","0.0005","90","","98.217","0.002","90","","2545.95","0.19","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 F17 N2 -","- C24 H17 F17 N2 -","- C96 H68 F68 N8 -","4","1","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0438","0.0366","","","0.09","0.0959","","","","","","1.044","","","","has coordinates,has disorder","260428","2021-01-04","03:13:42",""
"4135418","9.3765","0.0004","23.4519","0.0009","10.6409","0.0004","90","","90.0379","0.0018","90","","2339.9","0.16","100","2","100.07","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F3 N2 O -","- C12 H13 F3 N2 O -","- C96 H104 F24 N16 O8 -","8","2","","Chandrachud, Preeti P.; Wojtas, Lukasz; Lopchuk, Justin M.","Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents.","Journal of the American Chemical Society","2020","142","52","21743","21750","10.1021/jacs.0c09403","","","1.54178","CuKα","","0.0565","0.048","","","0.1177","0.1272","","","","","","1.069","","","","has coordinates","260428","2021-01-04","03:13:42",""
"4135419","10.4509","0.0004","12.2972","0.0004","13.7176","0.0005","64.875","0.002","77.838","0.002","65.854","0.002","1455.03","0.1","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H25 F12 N3 O2 P2 S2 -","- C25 H25 F12 N3 O2 P2 S2 -","- C50 H50 F24 N6 O4 P4 S4 -","2","1","","Anamimoghadam, Ommid; Jones, Leighton O.; Cooper, James A.; Beldjoudi, Yassine; Nguyen, Minh T.; Liu, Wenqi; Krzyaniak, Matthew D.; Pezzato, Cristian; Stern, Charlotte L.; Patel, Hasmukh A.; Wasielewski, Michael R.; Schatz, George C.; Stoddart, J. Fraser","Discrete Open-Shell Tris(bipyridinium radical cationic) Inclusion Complexes in the Solid State","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07148","","","0.71073","MoKα","","0.0617","0.0429","","","0.0975","0.1064","","","","","","1.031","","","","has coordinates","260066","2020-12-21","23:40:36",""
"4135420","10.9093","0.0008","11.8788","0.0009","14.016","0.0011","112.99","0.002","93.419","0.002","105.009","0.002","1588.4","0.2","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H58 F24 N10 O4 P4 -","- C52 H58 F24 N10 O4 P4 -","- C52 H58 F24 N10 O4 P4 -","1","0.5","","Anamimoghadam, Ommid; Jones, Leighton O.; Cooper, James A.; Beldjoudi, Yassine; Nguyen, Minh T.; Liu, Wenqi; Krzyaniak, Matthew D.; Pezzato, Cristian; Stern, Charlotte L.; Patel, Hasmukh A.; Wasielewski, Michael R.; Schatz, George C.; Stoddart, J. Fraser","Discrete Open-Shell Tris(bipyridinium radical cationic) Inclusion Complexes in the Solid State","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07148","","","0.71073","MoKα","","0.0414","0.0354","","","0.0937","0.0977","","","","","","1.042","","","","has coordinates","260067","2020-12-21","23:40:55",""
"4135421","12.178","0.0007","12.6271","0.0007","12.8582","0.0007","112.345","0.003","98.076","0.003","113.601","0.003","1572.7","0.17","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 F18 N10 O4 P3 -","- C60 H66 F18 N10 O4 P3 -","- C60 H66 F18 N10 O4 P3 -","1","0.5","","Anamimoghadam, Ommid; Jones, Leighton O.; Cooper, James A.; Beldjoudi, Yassine; Nguyen, Minh T.; Liu, Wenqi; Krzyaniak, Matthew D.; Pezzato, Cristian; Stern, Charlotte L.; Patel, Hasmukh A.; Wasielewski, Michael R.; Schatz, George C.; Stoddart, J. Fraser","Discrete Open-Shell Tris(bipyridinium radical cationic) Inclusion Complexes in the Solid State","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07148","","","0.71073","MoKα","","0.0907","0.0721","","","0.1829","0.1942","","","","","","1.058","","","","has coordinates,has disorder","260068","2020-12-21","23:41:13",""
"4135422","12.155","0.002","23.664","0.005","20.711","0.004","90","","90.006","0.003","90","","5957","2","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 F12 N4 O4 P2 -","- C40 H40 F12 N4 O4 P2 -","- C160 H160 F48 N16 O16 P8 -","4","0.5","","Anamimoghadam, Ommid; Jones, Leighton O.; Cooper, James A.; Beldjoudi, Yassine; Nguyen, Minh T.; Liu, Wenqi; Krzyaniak, Matthew D.; Pezzato, Cristian; Stern, Charlotte L.; Patel, Hasmukh A.; Wasielewski, Michael R.; Schatz, George C.; Stoddart, J. Fraser","Discrete Open-Shell Tris(bipyridinium radical cationic) Inclusion Complexes in the Solid State","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07148","","","0.71073","MoKα","","0.1895","0.1412","","","0.3842","0.4331","","","","","","1.524","","","","has coordinates,has disorder","260069","2020-12-21","23:41:37",""
"4135423","10.3979","0.0007","20.626","0.0014","13.6454","0.0009","90","","101.224","0.002","90","","2870.5","0.3","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 F24 N8 O4 P4 -","- C48 H52 F24 N8 O4 P4 -","- C96 H104 F48 N16 O8 P8 -","2","0.5","","Anamimoghadam, Ommid; Jones, Leighton O.; Cooper, James A.; Beldjoudi, Yassine; Nguyen, Minh T.; Liu, Wenqi; Krzyaniak, Matthew D.; Pezzato, Cristian; Stern, Charlotte L.; Patel, Hasmukh A.; Wasielewski, Michael R.; Schatz, George C.; Stoddart, J. Fraser","Discrete Open-Shell Tris(bipyridinium radical cationic) Inclusion Complexes in the Solid State","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07148","","","1.54178","CuKα","","0.033","0.0319","","","0.0842","0.0849","","","","","","1.044","","","","has coordinates","260070","2020-12-21","23:42:00",""
"4135424","10.3883","0.0005","10.9508","0.0005","13.4312","0.0007","84.113","0.002","86.835","0.002","74.908","0.002","1466.81","0.12","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H56 F24 N6 O6 P4 -","- C52 H56 F24 N6 O6 P4 -","- C52 H56 F24 N6 O6 P4 -","1","0.5","","Anamimoghadam, Ommid; Jones, Leighton O.; Cooper, James A.; Beldjoudi, Yassine; Nguyen, Minh T.; Liu, Wenqi; Krzyaniak, Matthew D.; Pezzato, Cristian; Stern, Charlotte L.; Patel, Hasmukh A.; Wasielewski, Michael R.; Schatz, George C.; Stoddart, J. Fraser","Discrete Open-Shell Tris(bipyridinium radical cationic) Inclusion Complexes in the Solid State","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07148","","","0.71073","MoKα","","0.0632","0.0474","","","0.112","0.1202","","","","","","1.02","","","","has coordinates","260071","2020-12-21","23:42:18",""
"4135425","9.6576","0.0009","16.5515","0.0015","10.2287","0.001","90","","109.901","0.003","90","","1537.4","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H24 F3 N O3 S -","- C38 H24 F3 N O3 S -","- C76 H48 F6 N2 O6 S2 -","2","1","","Wang, Qiang; Zhang, Wen-Wen; Zheng, Chao; Gu, Qing; You, Shu-Li","Enantioselective Synthesis of Azoniahelicenes by Rh-Catalyzed C‒H Annulation with Alkynes","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11735","","","0.71073","MoKα","","0.0875","0.0621","","","0.1519","0.1736","","","","","","1.054","","","","has coordinates,has disorder","260152","2020-12-25","23:33:42",""
"4135426","7.6626","0.0003","15.2264","0.0005","21.4966","0.0007","90","","90","","90","","2508.09","0.15","173","2","172.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H23 N O -","- C36 H23 N O -","- C144 H92 N4 O4 -","4","1","","Wang, Qiang; Zhang, Wen-Wen; Zheng, Chao; Gu, Qing; You, Shu-Li","Enantioselective Synthesis of Azoniahelicenes by Rh-Catalyzed C‒H Annulation with Alkynes","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11735","","","1.34139","GaKα","","0.0432","0.0394","","","0.0947","0.0981","","","","","","1.13","","","","has coordinates","260153","2020-12-25","23:34:08",""
"4135427","7.304","0.007","14.694","0.016","25.32","0.03","90","","90","","90","","2717","5","296","2","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H26 N2 O2 -","- C37 H26 N2 O2 -","- C148 H104 N8 O8 -","4","1","","Shi, Zhao-Tao; Hu, Yi-Xiong; Hu, Zhubin; Zhang, Qi; Chen, Shao-Yu; Chen, Meng; Yu, Jing-Jing; Yin, Guang-Qiang; Sun, Haitao; Xu, Lin; Li, Xiaopeng; Feringa, Ben L.; Yang, Hai-Bo; Tian, He; Qu, Da-Hui","Visible-Light-Driven Rotation of Molecular Motors in Discrete Supramolecular Metallacycles","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11752","","","1.34139","GaKα","","0.2512","0.1094","","","0.2146","0.318","","","","","","0.747","","","","has coordinates","260206","2020-12-30","00:01:51",""
"4135428","7.2586","0.0002","14.8057","0.0004","25.2215","0.0007","90","","90","","90","","2710.52","0.13","170","2","169.98","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H26 N2 O2 -","- C37 H26 N2 O2 -","- C148 H104 N8 O8 -","4","1","","Shi, Zhao-Tao; Hu, Yi-Xiong; Hu, Zhubin; Zhang, Qi; Chen, Shao-Yu; Chen, Meng; Yu, Jing-Jing; Yin, Guang-Qiang; Sun, Haitao; Xu, Lin; Li, Xiaopeng; Feringa, Ben L.; Yang, Hai-Bo; Tian, He; Qu, Da-Hui","Visible-Light-Driven Rotation of Molecular Motors in Discrete Supramolecular Metallacycles","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11752","","","1.34139","GaKα","","0.0578","0.0517","","","0.1418","0.1472","","","","","","1.091","","","","has coordinates","260207","2020-12-30","00:02:09",""
"4135429","10.9265","0.0005","12.9671","0.0006","21.9636","0.001","83.843","0.001","88.723","0.001","69.597","0.001","2899.5","0.2","293","","293.31","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H26 N2 O2 -","- C37 H26 N2 O2 -","- C148 H104 N8 O8 -","4","2","","Shi, Zhao-Tao; Hu, Yi-Xiong; Hu, Zhubin; Zhang, Qi; Chen, Shao-Yu; Chen, Meng; Yu, Jing-Jing; Yin, Guang-Qiang; Sun, Haitao; Xu, Lin; Li, Xiaopeng; Feringa, Ben L.; Yang, Hai-Bo; Tian, He; Qu, Da-Hui","Visible-Light-Driven Rotation of Molecular Motors in Discrete Supramolecular Metallacycles","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11752","","","0.71073","MoKα","","0.1222","0.0617","","","0.1612","0.2059","","","","","","1.068","","","","has coordinates","260208","2020-12-30","00:02:45",""
"4135430","13.8359","0.0005","14.2602","0.0004","24.8906","0.001","90.302","0.003","103.428","0.004","97.512","0.003","4732.5","0.3","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C73 H109 F9 N3 O6 P5.5 Pt2 -","- C73 H109 F9 N3 O6 P5.5 Pt2 -","- C146 H218 F18 N6 O12 P11 Pt4 -","2","1","","Jiang, Wei-Ling; Peng, Zhiyong; Huang, Bin; Zhao, Xiao-Li; Sun, Di; Shi, Xueliang; Yang, Hai-Bo","TEMPO Radical-Functionalized Supramolecular Coordination Complexes with Controllable Spin-Spin Interactions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11738","","x-ray","1.54184","CuKα","","0.1431","0.1086","","","0.253","0.274","","","","","","1.058","","","","has coordinates","260209","2020-12-30","00:03:13",""
"4135431","9.4316","0.0002","21.0748","0.0003","21.3237","0.0003","84.687","0.001","81.217","0.001","88.568","0.001","4170.54","0.12","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C134 H192 F24 N6 O8 P12 Pt4 -","- C134 H192 F24 N6 O8 P12 Pt4 -","- C134 H192 F24 N6 O8 P12 Pt4 -","1","0.5","","Jiang, Wei-Ling; Peng, Zhiyong; Huang, Bin; Zhao, Xiao-Li; Sun, Di; Shi, Xueliang; Yang, Hai-Bo","TEMPO Radical-Functionalized Supramolecular Coordination Complexes with Controllable Spin-Spin Interactions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11738","","x-ray","1.54184","CuKα","","0.11","0.0954","","","0.2544","0.2719","","","","","","1.056","","","","has coordinates,has disorder","260210","2020-12-30","00:03:34",""
"4135432","19.4785","0.0015","19.5995","0.0007","20.0531","0.0019","92.012","0.005","115.044","0.008","91.519","0.005","6924.4","1","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C124 H120 B3 F12 N12 O16 Pd2 -","- C124 H120 B3 F12 N12 O16 Pd2 -","- C248 H240 B6 F24 N24 O32 Pd4 -","2","1","","Jiang, Wei-Ling; Peng, Zhiyong; Huang, Bin; Zhao, Xiao-Li; Sun, Di; Shi, Xueliang; Yang, Hai-Bo","TEMPO Radical-Functionalized Supramolecular Coordination Complexes with Controllable Spin-Spin Interactions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11738","","x-ray","1.54184","CuKα","","0.2495","0.1898","","","0.4383","0.4764","","","","","","1.024","","","","has coordinates","260211","2020-12-30","00:04:01",""
"4135433","30.224","0.0002","19.7501","0.0001","27.1586","0.0002","90","","92.612","0.001","90","","16194.9","0.18","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C128 H199 F24 N6 O10 P12 Pt4 -","- C128 H199 F24 N6 O10 P12 Pt4 -","- C512 H796 F96 N24 O40 P48 Pt16 -","4","1","","Jiang, Wei-Ling; Peng, Zhiyong; Huang, Bin; Zhao, Xiao-Li; Sun, Di; Shi, Xueliang; Yang, Hai-Bo","TEMPO Radical-Functionalized Supramolecular Coordination Complexes with Controllable Spin-Spin Interactions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11738","","x-ray","1.54184","CuKα","","0.0804","0.0736","","","0.1754","0.1804","","","","","","1.041","","","","has coordinates,has disorder","260212","2020-12-30","00:04:37",""
"4135434","12.0853","0.0005","18.1737","0.0009","19.882","0.0006","107.001","0.003","90.638","0.003","94.11","0.004","4162.8","0.3","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C134 H194 B4 F16 N6 O8 P8 Pt4 -","- C134 H194 B4 F16 N6 O8 P8 Pt4 -","- C134 H194 B4 F16 N6 O8 P8 Pt4 -","1","0.5","","Jiang, Wei-Ling; Peng, Zhiyong; Huang, Bin; Zhao, Xiao-Li; Sun, Di; Shi, Xueliang; Yang, Hai-Bo","TEMPO Radical-Functionalized Supramolecular Coordination Complexes with Controllable Spin-Spin Interactions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11738","","x-ray","1.54184","CuKα","","0.1296","0.0998","","","0.2524","0.2742","","","","","","0.972","","","","has coordinates","260213","2020-12-30","00:04:58",""
"4135435","13.5498","0.0002","45.425","0.0005","13.8449","0.0002","90","","108.155","0.001","90","","8097.3","0.2","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H111 F12 N3 O7 P6 Pt2 -","- C70 H111 F12 N3 O7 P6 Pt2 -","- C280 H444 F48 N12 O28 P24 Pt8 -","4","1","","Jiang, Wei-Ling; Peng, Zhiyong; Huang, Bin; Zhao, Xiao-Li; Sun, Di; Shi, Xueliang; Yang, Hai-Bo","TEMPO Radical-Functionalized Supramolecular Coordination Complexes with Controllable Spin-Spin Interactions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11738","","x-ray","1.54184","CuKα","","0.1154","0.1125","","","0.2632","0.2647","","","","","","1.191","","","","has coordinates","260214","2020-12-30","00:05:23",""
"4135436","24.2191","0.0004","23.9973","0.0005","27.2389","0.0005","90","","90","","90","","15831.1","0.5","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H100 Ge2 N4 Te2 -","- C90 H100 Ge2 N4 Te2 -","- C720 H800 Ge16 N32 Te16 -","8","1","","Sharma, Mahendra K.; Ebeler, Falk; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Isolation of a Ge(I) Diradicaloid and Dihydrogen Splitting.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11828","","x-ray","0.71073","MoKα","","0.0735","0.0409","","","0.0721","0.0815","","","","","","1.046","","","","has coordinates","260253","2020-12-30","23:57:02",""
"4135437","11.0725","0.0003","16.4856","0.0006","22.3612","0.0007","101.491","0.003","101.127","0.002","100.578","0.002","3818.7","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C87 H97 Ge2 N4 S2 -","- C87 H97 Ge2 N4 S2 -","- C174 H194 Ge4 N8 S4 -","2","1","","Sharma, Mahendra K.; Ebeler, Falk; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Isolation of a Ge(I) Diradicaloid and Dihydrogen Splitting.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11828","","x-ray","0.71073","MoKα","","0.0698","0.046","","","0.0914","0.1006","","","","","","1.044","","","","has coordinates","260254","2020-12-30","23:57:28",""
"4135438","12.8343","0.0004","14.2908","0.0005","17.1398","0.0006","82.394","0.003","84.112","0.003","87.309","0.003","3097.78","0.18","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C70 H86 Ge2 N4 O -","- C70 H86 Ge2 N4 O -","- C140 H172 Ge4 N8 O2 -","2","1","","Sharma, Mahendra K.; Ebeler, Falk; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Isolation of a Ge(I) Diradicaloid and Dihydrogen Splitting.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11828","","x-ray","1.54184","CuKα","","0.0576","0.0459","","","0.1143","0.1214","","","","","","1.032","","","","has coordinates","260255","2020-12-30","23:57:53",""
"4135439","13.7437","0.0004","20.2913","0.0004","24.8641","0.0004","90","","98.358","0.002","90","","6860.4","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H94 Cl2 Ge2 N4 O2 -","- C74 H94 Cl2 Ge2 N4 O2 -","- C296 H376 Cl8 Ge8 N16 O8 -","4","1","","Sharma, Mahendra K.; Ebeler, Falk; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Isolation of a Ge(I) Diradicaloid and Dihydrogen Splitting.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11828","","x-ray","0.71073","MoKα","","0.0838","0.0515","","","0.1263","0.1325","","","","","","1.029","","","","has coordinates,has disorder","260256","2020-12-30","23:58:25",""
"4135440","33.739","0.0006","39.7538","0.001","43.9214","0.0013","90","","96.384","0.002","90","","58544","3","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","NP5H","","","- C351 H162 N20 O40 -","- C351 H162 N20 O40 -","- C1404 H648 N80 O160 -","4","1","","Xiao, Xiao; Pedersen, Stephan K.; Aranda, Daniel; Yang, Jingjing; Wiscons, Ren A.; Pittelkow, Michael; Steigerwald, Michael L.; Santoro, Fabrizio; Schuster, Nathaniel J.; Nuckolls, Colin","Chirality Amplified: Long, Discrete Helicene Nanoribbons","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11260","","x-ray","1.54184","CuKα","","0.2716","0.2168","","","0.4906","0.5446","","","","","","1.599","","","","has coordinates","260257","2020-12-30","23:59:03",""
"4135441","9.194","0.0004","12.409","0.0005","13.3632","0.0006","67.1523","0.0014","70.2511","0.0015","78.9093","0.0015","1319.04","0.1","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H40 Cl14 F6 N2 O2 Ru2 -","- C40 H40 Cl14 F6 N2 O2 Ru2 -","- C40 H40 Cl14 F6 N2 O2 Ru2 -","1","0.5","","Crawley, Matthew R.; Zhang, Daoyang; Oldacre, Amanda N.; Beavers, Christine M.; Friedman, Alan E.; Cook, Timothy R.","Tuning the Reactivity of Cofacial Porphyrin Prisms for Oxygen Reduction Using Modular Building Blocks","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11895","","x-ray","0.71073","MoKα","","0.0484","0.0369","","","0.0777","0.0829","","","","","","1.07","","","","has coordinates,has disorder","260258","2020-12-30","23:59:25",""
"4135442","41.929","0.002","28.768","0.0014","25.7008","0.0014","90","","127.726","0.001","90","","24520","2","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C228 H192 F36 N24 O22 Ru8 S4 Zn2 -","- C228 H192 F36 N24 O22 Ru8 S4 Zn2 -","- C912 H768 F144 N96 O88 Ru32 S16 Zn8 -","4","0.5","","Crawley, Matthew R.; Zhang, Daoyang; Oldacre, Amanda N.; Beavers, Christine M.; Friedman, Alan E.; Cook, Timothy R.","Tuning the Reactivity of Cofacial Porphyrin Prisms for Oxygen Reduction Using Modular Building Blocks","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11895","","","0.71073","MoKα","","0.2043","0.15","","","0.4041","0.4517","","","","","","1.555","","","","has coordinates,has disorder","260259","2020-12-31","00:00:00",""
"4135443","16.3718","0.0013","16.3947","0.0013","16.8901","0.0014","80.413","0.002","63.417","0.002","61.422","0.002","3553.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H78 N4 O11 P8 -","- C78 H78 N4 O11 P8 -","- C156 H156 N8 O22 P16 -","2","1","","Shepard, Scott M.; Kim, Hyehwang; Bang, Qing Xin; Alhokbany, Norah; Cummins, Christopher C.","Synthesis of α,δ-Disubstituted Tetraphosphates and Terminally-Functionalized Nucleoside Pentaphosphates","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11884","","","0.71073","MoKα","","0.0382","0.0319","","","0.082","0.0859","","","","","","1.032","","","","has coordinates","260260","2020-12-31","00:00:28",""
"4135444","28.799","0.006","7.2045","0.0013","28.78","0.005","90","","119.657","0.005","90","","5189.1","1.7","100.15","","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 N6 O5 -","- C31 H26 N6 O5 -","- C248 H208 N48 O40 -","8","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.2068","0.0929","","","0.1824","0.2388","","","","","","0.985","","","","has coordinates","260261","2020-12-31","00:00:52",""
"4135445","15.002","0.0005","7.5587","0.0002","25.1734","0.0008","90","","101.094","0.002","90","","2801.21","0.15","100.15","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N4 O5 -","- C36 H26 N4 O5 -","- C144 H104 N16 O20 -","4","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.0888","0.0587","","","0.1401","0.1564","","","","","","1.052","","","","has coordinates,has disorder","260262","2020-12-31","00:01:16",""
"4135446","7.1148","0.0004","8.2264","0.0006","9.7166","0.0006","73.803","0.004","88.59","0.004","80.599","0.004","538.67","0.06","100.15","","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 N6 -","- C26 H22 N6 -","- C26 H22 N6 -","1","0.5","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.0702","0.0493","","","0.1162","0.1278","","","","","","1.048","","","","has coordinates","260263","2020-12-31","00:01:33",""
"4135447","31.2029","0.0011","6.8944","0.0003","19.5728","0.0008","90","","99.506","0.002","90","","4152.8","0.3","100.15","","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 N5 O4 -","- C23 H23 N5 O4 -","- C184 H184 N40 O32 -","8","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.0866","0.0564","","","0.1362","0.1532","","","","","","1.042","","","","has coordinates","260264","2020-12-31","00:01:57",""
"4135448","8.4913","0.001","12.9191","0.0013","17.326","0.002","79.92","0.007","77.96","0.008","73.429","0.007","1768.1","0.4","298.15","","298.15","","","","","","","","","3","P -1","-P 1","2","","","","- C44 H25 N11 -","- C44 H25 N11 -","- C88 H50 N22 -","2","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.1853","0.0617","","","0.1396","0.1964","","","","","","0.915","","","","has coordinates","260265","2020-12-31","00:02:20",""
"4135449","8.3762","0.0004","12.8002","0.0006","17.106","0.0008","80.665","0.003","78.924","0.002","73.94","0.003","1718.04","0.14","100.15","","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C44 H25 N11 -","- C44 H25 N11 -","- C88 H50 N22 -","2","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.0665","0.0491","","","0.1321","0.1449","","","","","","1.019","","","","has coordinates","260266","2020-12-31","00:02:37",""
"4135450","7.1207","0.0019","11.372","0.003","12.809","0.004","88.841","0.019","78.9","0.02","72.015","0.018","967.2","0.5","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C22.27 H22.36 N2.37 O2.63 -","- C22.268 H22.366 N2.366 O2.634 -","- C44.536 H44.732 N4.732 O5.268 -","2","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.4451","0.1299","","","0.3044","0.4723","","","","","","0.918","","","","has coordinates,has disorder","260267","2020-12-31","00:03:05",""
"4135451","28.876","0.003","7.3487","0.0006","28.877","0.003","90","","119.746","0.005","90","","5320.3","0.9","298.15","","298.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 N6 O5 -","- C31 H26 N6 O5 -","- C248 H208 N48 O40 -","8","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.3198","0.0989","","","0.1855","0.2727","","","","","","0.917","","","","has coordinates","260268","2020-12-31","00:03:33",""
"4135452","15.03","0.003","7.6625","0.0009","25.365","0.004","90","","100.908","0.013","90","","2868.4","0.8","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N4 O5 -","- C36 H26 N4 O5 -","- C144 H104 N16 O20 -","4","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.5832","0.1698","","","0.2369","0.3806","","","","","","0.947","","","","has coordinates,has disorder","260269","2020-12-31","00:03:57",""
"4135453","7.1434","0.0006","8.2482","0.0007","10.0068","0.0009","107.04","0.006","91.24","0.006","97.381","0.006","557.95","0.09","298.15","","298.15","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 N6 -","- C26 H22 N6 -","- C26 H22 N6 -","1","0.5","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.1325","0.0526","","","0.1228","0.1614","","","","","","0.956","","","","has coordinates","260270","2020-12-31","00:04:13",""
"4135454","10.9617","0.0005","15.6825","0.0008","13.4532","0.0007","90","","99.498","0.004","90","","2281","0.2","100.15","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N3 O5 -","- C28 H25 N3 O5 -","- C112 H100 N12 O20 -","4","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.1942","0.0829","","","0.1684","0.22","","","","","","0.978","","","","has coordinates","260271","2020-12-31","00:04:33",""
"4135455","31.3701","0.0017","7.0028","0.0004","19.8595","0.0011","90","","99.353","0.003","90","","4304.7","0.4","298.15","","298.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 N5 O4 -","- C23 H23 N5 O4 -","- C184 H184 N40 O32 -","8","1","","Bhowal, Rohit; Balaraman, Anina Anju; Ghosh, Manasi; Dutta, Soma; Dey, Krishna Kishor; Chopra, Deepak","Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11459","","","0.71073","MoKα","","0.1011","0.0534","","","0.1404","0.169","","","","","","1.042","","","","has coordinates","260272","2020-12-31","00:04:56",""
"4135456","7.4768","0.0002","8.769","0.0002","14.5437","0.0003","90","","97.775","0.002","90","","944.78","0.04","133.15","","133.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 I N2 O -","- C22 H21 I N2 O -","- C44 H42 I2 N4 O2 -","2","1","","Bai, Zibo; Zhang, Heng; Wang, Hao; Yu, Hanrui; Chen, Gong; He, Gang","Enantioselective Alkylamination of Unactivated Alkenes under Copper Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c12333","","x-ray","0.71073","MoKα","","0.026","0.0254","","","0.0642","0.0652","","","","","","1.056","","","","has coordinates","260303","2021-01-01","00:07:02",""
"4135457","8.377","0.0006","11.524","0.0008","22.2398","0.0012","90","","90","","90","","2147","0.2","113","2","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 I N2 O -","- C26 H21 I N2 O -","- C104 H84 I4 N8 O4 -","4","1","","Bai, Zibo; Zhang, Heng; Wang, Hao; Yu, Hanrui; Chen, Gong; He, Gang","Enantioselective Alkylamination of Unactivated Alkenes under Copper Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c12333","","x-ray","0.71073","MoKα","","0.0452","0.0399","","","0.0927","0.096","","","","","","1.089","","","","has coordinates","260304","2021-01-01","00:07:31",""
"4135458","6.4155","0.0013","6.4155","0.0013","5.488","0.003","90","","90","","90","","225.88","0.14","295","","295","","358","","","","","","","2","I 4/m c m","-I 4 2c","140","","","MoBi2","- Bi2 Mo -","- Bi2 Mo -","- Bi8 Mo4 -","4","0.125","","Altman, Alison B.; Tamerius, Alexandra D.; Koocher, Nathan Z.; Meng, Yue; Pickard, Chris J.; Walsh, James P. S.; Rondinelli, James M.; Jacobsen, Steven D.; Freedman, Danna E.","Computationally Directed Discovery of MoBi2","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09419","powder diffraction","","0.406626","","","2.68","","","","","","","","3.92","","","","","","","has coordinates","260305","2021-01-01","00:08:44",""
"4135459","5.8795","0.0003","6.8242","0.0004","17.4352","0.0009","81.502","0.006","88.355","0.006","63.886","0.005","620.72","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N2 O14 Rb2 -","- C20 H24 N2 O14 Rb2 -","- C20 H24 N2 O14 Rb2 -","1","0.5","","Abe, Haruka; Kawasaki, Ayumi; Takeda, Takashi; Hoshino, Norihisa; Matsuda, Wakana; Seki, Shu; Akutagawa, Tomoyuki","Crystal Lattice Design of H2O-Tolerant n-Type Semiconducting Dianionic Naphthalenediimide Derivatives","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11545","","","1.54187","CuKα","","0.0473","0.0438","","","0.1121","0.1144","","","","","","1.072","","","","has coordinates","260306","2021-01-01","00:09:10",""
"4135460","7.53515","0.00014","9.37159","0.00017","17.3157","0.0003","100.624","0.0012","98.803","0.0011","93.048","0.0012","1183.48","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N2 Na2 O14 -","- C20 H24 N2 Na2 O14 -","- C40 H48 N4 Na4 O28 -","2","1","","Abe, Haruka; Kawasaki, Ayumi; Takeda, Takashi; Hoshino, Norihisa; Matsuda, Wakana; Seki, Shu; Akutagawa, Tomoyuki","Crystal Lattice Design of H2O-Tolerant n-Type Semiconducting Dianionic Naphthalenediimide Derivatives","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11545","","","1.54187","CuKα","","0.0668","0.0496","","","0.1242","0.136","","","","","","1.112","","","","has coordinates","260307","2021-01-01","00:09:30",""
"4135461","7.5163","0.0004","12.556","0.0007","16.8507","0.0009","83.769","0.006","81.148","0.006","80.127","0.006","1542.54","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N2 O9.33 Rb2 -","- C20 H12 N2 O9.33333 Rb2 -","- C60 H36 N6 O28 Rb6 -","3","1.5","","Abe, Haruka; Kawasaki, Ayumi; Takeda, Takashi; Hoshino, Norihisa; Matsuda, Wakana; Seki, Shu; Akutagawa, Tomoyuki","Crystal Lattice Design of H2O-Tolerant n-Type Semiconducting Dianionic Naphthalenediimide Derivatives","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11545","","","1.54187","CuKα","","0.0718","0.06","","","0.1644","0.1726","","","","","","1.092","","","","has coordinates","260308","2021-01-01","00:09:58",""
"4135462","5.1996","0.0011","6.5535","0.0014","16.494","0.004","92.691","0.007","95.914","0.007","98.42","0.007","551.9","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cs2 N2 O10 -","- C20 H12 Cs2 N2 O10 -","- C20 H12 Cs2 N2 O10 -","1","0.5","","Abe, Haruka; Kawasaki, Ayumi; Takeda, Takashi; Hoshino, Norihisa; Matsuda, Wakana; Seki, Shu; Akutagawa, Tomoyuki","Crystal Lattice Design of H2O-Tolerant n-Type Semiconducting Dianionic Naphthalenediimide Derivatives","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11545","","","1.54187","CuKα","","0.121","0.092","","","0.219","0.2437","","","","","","1.103","","","","has coordinates","260309","2021-01-01","00:10:22",""
"4135463","16.2707","","8.4478","","8.1981","","90","","91.212","","90","","1126.59","","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 K2 N2 O12 -","- C20 H20 K2 N2 O12 -","- C40 H40 K4 N4 O24 -","2","0.5","","Abe, Haruka; Kawasaki, Ayumi; Takeda, Takashi; Hoshino, Norihisa; Matsuda, Wakana; Seki, Shu; Akutagawa, Tomoyuki","Crystal Lattice Design of H2O-Tolerant n-Type Semiconducting Dianionic Naphthalenediimide Derivatives","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11545","","","1.54187","CuKα","","0.1719","0.0944","","","0.2266","0.3068","","","","","","0.908","","","","has coordinates","260310","2021-01-01","00:10:44",""
"4135464","35.295","0.003","35.295","0.003","26.356","0.003","90","","90","","90","","32833","5","141.68","","141.68","","","","","","","","","7","P 4/n :2","-P 4a","85","","202209d","","- C82.7 H72 F4 N2.7 O9.3 Rh2.7 S1.3 -","- C496 H432 F24 N16 O56 Rh16 S8 -","- C992 H864 F48 N32 O112 Rh32 S16 -","2","0.25","","Zhang, Hai-Ning; Lin, Yue-Jian; Jin, Guo-Xin","Selective Construction of Very Large Stacking-Interaction-Induced Molecular 818 Metalla-knots and Borromean Ring Using Curved Dipyridyl Ligands","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11925","","","1.34139","synchrotron","","0.1339","0.1051","","","0.3156","0.3676","","","","","","1.2154","","","","has coordinates","260311","2021-01-01","00:12:12",""
"4135465","36.467","0.004","29.225","0.004","42.676","0.005","90","","102.209","0.005","90","","44453","9","140","2","140","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C128.67 H160 F12 N4 O37.33 Rh4 S4 -","- C351 H316 F27 N12 O53 Rh12 S9 -","- C1404 H1264 F108 N48 O212 Rh48 S36 -","4","0.5","","Zhang, Hai-Ning; Lin, Yue-Jian; Jin, Guo-Xin","Selective Construction of Very Large Stacking-Interaction-Induced Molecular 818 Metalla-knots and Borromean Ring Using Curved Dipyridyl Ligands","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11925","","","1.54178","CuKα","","0.1497","0.1015","","","0.299","0.3446","","","","","","1.107","","","","has coordinates,has disorder","260312","2021-01-01","00:13:03",""
"4135466","15.8656","0.0007","18.5301","0.0008","27.9838","0.0012","92.145","0.002","104.593","0.002","110.192","0.002","7401.9","0.6","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C150 H167 F12 N5 O26 Rh4 S4 -","- C273 H266 F21 N10 O41 Rh8 S7 -","- C273 H266 F21 N10 O41 Rh8 S7 -","1","0.5","","Zhang, Hai-Ning; Lin, Yue-Jian; Jin, Guo-Xin","Selective Construction of Very Large Stacking-Interaction-Induced Molecular 818 Metalla-knots and Borromean Ring Using Curved Dipyridyl Ligands","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11925","","","1.34138","GaKα","","0.0655","0.0573","","","0.1595","0.1664","","","","","","1.025","","","","has coordinates,has disorder","260313","2021-01-01","00:13:36",""
"4135467","7.953","0.0001","18.4696","0.0002","17.102","0.0003","90","","93.875","0.001","90","","2506.35","0.06","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N4 O11 S -","- C22 H28 N4 O11 S -","- C88 H112 N16 O44 S4 -","4","1","","Shen, Zican; Walker, Morgan M.; Chen, Shuming; Parada, Giovanny A.; Chu, Duc M.; Dongbang, Sun; Mayer, James M.; Houk, K. N.; Ellman, Jonathan A.","General Light-Mediated, Highly Diastereoselective Piperidine Epimerization: From Most Accessible to Most Stable Stereoisomer","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11911","","","1.54184","CuKα","","0.0498","0.0412","","","0.1062","0.112","","","","","","1.031","","","","has coordinates","260314","2021-01-01","00:14:01",""
"4135468","16.9893","0.0012","16.9893","0.0012","22.6602","0.0017","90","","90","","90","","6540.6","0.8","200.02","","200.02","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.9 Bi11 Ca13.94 Lu0.16 -","- Al0.9 Bi11 Ca13.94 Lu0.16 -","- Al7.2 Bi88 Ca111.52 Lu1.28 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0398","0.0303","","","0.0648","0.0681","","","","","","1.072","","","","has coordinates","260315","2021-01-01","00:16:02",""
"4135469","17.0092","0.0012","17.0092","0.0012","22.7001","0.0017","90","","90","","90","","6567.4","0.8","199.99","","199.99","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.89 Bi11 Ca13.95 Lu0.16 -","- Al0.889 Bi11 Ca13.948 Lu0.163 -","- Al7.112 Bi88 Ca111.584 Lu1.304 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0463","0.0318","","","0.0625","0.0668","","","","","","1.053","","","","has coordinates","260315","2021-01-01","00:16:03",""
"4135470","17.0115","0.0019","17.0115","0.0019","22.696","0.003","90","","90","","90","","6568","1.4","200","","200","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.88 Bi11 Ca13.95 Lu0.17 -","- Al0.877 Bi11 Ca13.956 Lu0.167 -","- Al7.016 Bi88 Ca111.648 Lu1.336 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0467","0.0331","","","0.0714","0.0766","","","","","","1.039","","","","has coordinates","260315","2021-01-01","00:16:03",""
"4135471","17.0165","0.0016","17.0165","0.0016","22.73","0.002","90","","90","","90","","6581.7","1","199.98","","199.98","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.85 Bi11 Ca13.96 Lu0.18 -","- Al0.852 Bi11 Ca13.964 Lu0.184 -","- Al6.816 Bi88 Ca111.712 Lu1.472 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0466","0.0336","","","0.0783","0.0836","","","","","","1.039","","","","has coordinates","260315","2021-01-01","00:16:03",""
"4135472","17.026","0.002","17.026","0.002","22.735","0.003","90","","90","","90","","6590.5","1.4","200","","200","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.86 Bi11 Ca13.95 Lu0.19 -","- Al0.855 Bi11 Ca13.952 Lu0.193 -","- Al6.84 Bi88 Ca111.616 Lu1.544 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0408","0.0305","","","0.0685","0.0722","","","","","","1.074","","","","has coordinates","260315","2021-01-01","00:16:03",""
"4135473","17.019","0.002","17.019","0.002","22.714","0.003","90","","90","","90","","6579","1.4","200.01","","200.01","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.93 Bi11 Ca13.91 Tm0.17 -","- Al0.927 Bi11 Ca13.908 Tm0.165 -","- Al7.416 Bi88 Ca111.264 Tm1.32 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0499","0.0382","","","0.0967","0.1028","","","","","","1.047","","","","has coordinates","260315","2021-01-01","00:16:03",""
"4135474","17.029","0.002","17.029","0.002","22.689","0.003","90","","90","","90","","6579.5","1.4","200.01","","200.01","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al Bi11 Ca13.9 La0.1 -","- Al Bi11 Ca13.9 La0.1 -","- Al8 Bi88 Ca111.2 La0.8 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0434","0.0305","","","0.064","0.0684","","","","","","1.068","","","","has coordinates","260315","2021-01-01","00:16:03",""
"4135475","6.75499","0.00015","10.0036","0.0002","28.9","0.0007","90","","90","","90","","1952.89","0.08","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 Br2 N O3 S -","- C21 H15 Br2 N O3 S -","- C84 H60 Br8 N4 O12 S4 -","4","1","","Ito, Tsubasa; Harada, Shingo; Homma, Haruka; Takenaka, Hiroki; Hirose, Shumpei; Nemoto, Tetsuhiro","Asymmetric Intramolecular Dearomatization of Nonactivated Arenes with Ynamides for Rapid Assembly of Fused Ring System under Silver Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10682","","","1.54187","CuKα","","0.0246","0.0237","","","0.0575","0.0579","","","","","","1.065","","","","has coordinates","260316","2021-01-01","00:17:08",""
"4135476","10.1732","0.0005","10.8571","0.0005","14.6473","0.0007","71.482","0.005","78.632","0.006","79.222","0.006","1490.43","0.13","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H23 Br Cl2 N4 O5 S -","- C30 H23 Br Cl2 N4 O5 S -","- C60 H46 Br2 Cl4 N8 O10 S2 -","2","1","","Ito, Tsubasa; Harada, Shingo; Homma, Haruka; Takenaka, Hiroki; Hirose, Shumpei; Nemoto, Tetsuhiro","Asymmetric Intramolecular Dearomatization of Nonactivated Arenes with Ynamides for Rapid Assembly of Fused Ring System under Silver Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10682","","","1.54187","CuKα","","0.1436","0.0647","","","0.1061","0.1286","","","","","","0.896","","","","has coordinates","260317","2021-01-01","00:17:30",""
"4135477","10.2586","0.0002","11.4779","0.0002","16.7535","0.0002","79.687","0.001","82.79","0.001","78.383","0.001","1892.84","0.06","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H54 F6 N3.8 O4 P3 Ru S2 -","- C26 H54 F6 N3.8 O4 P3 Ru S2 -","- C52 H108 F12 N7.6 O8 P6 Ru2 S4 -","2","1","","Ma, Senjie; Hill, Christopher K.; Olen, Casey L.; Hartwig, John F.","Ruthenium-Catalyzed Hydroamination of Unactivated Terminal Alkenes with Stoichiometric Amounts of Alkene and an Ammonia Surrogate by Sequential Oxidation and Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11043","","","0.71073","MoKα","","0.0392","0.031","","","0.0736","0.0765","","","","","","1.055","","","","has coordinates,has disorder","260318","2021-01-01","00:17:58",""
"4135478","10.5702","0.0002","18.7348","0.0004","24.3472","0.0005","90","","92.934","0.002","90","","4815.17","0.17","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C29 H55 Cl2 F12 N4 O8 P3 Ru S4 -","- C29 H55 Cl2 F12 N4 O8 P3 Ru S4 -","- C116 H220 Cl8 F48 N16 O32 P12 Ru4 S16 -","4","1","","Ma, Senjie; Hill, Christopher K.; Olen, Casey L.; Hartwig, John F.","Ruthenium-Catalyzed Hydroamination of Unactivated Terminal Alkenes with Stoichiometric Amounts of Alkene and an Ammonia Surrogate by Sequential Oxidation and Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11043","","","0.71073","MoKα","","0.0378","0.0316","","","0.073","0.0754","","","","","","1.029","","","","has coordinates,has disorder","260319","2021-01-01","00:18:25",""
"4135479","11.433","0.003","18.944","0.005","18.126","0.005","90","","91.423","0.005","90","","3924.6","1.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H45 F12 N2 O8.25 P3 Ru S4 -","- C22 H45 F12 N2 O8.25 P3 Ru S4 -","- C88 H180 F48 N8 O33 P12 Ru4 S16 -","4","1","","Ma, Senjie; Hill, Christopher K.; Olen, Casey L.; Hartwig, John F.","Ruthenium-Catalyzed Hydroamination of Unactivated Terminal Alkenes with Stoichiometric Amounts of Alkene and an Ammonia Surrogate by Sequential Oxidation and Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11043","","","0.71073","MoKα","","0.0376","0.0331","","","0.0761","0.0786","","","","","","1.123","","","","has coordinates,has disorder","260320","2021-01-01","00:18:51",""
"4135480","12.6581","0.0004","14.3288","0.0004","20.7537","0.0006","90","","106.345","0.003","90","","3612.08","0.19","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H52 F6 N3 O4 P3 Ru S2 -","- C26 H52 F6 N3 O4 P3 Ru S2 -","- C104 H208 F24 N12 O16 P12 Ru4 S8 -","4","1","","Ma, Senjie; Hill, Christopher K.; Olen, Casey L.; Hartwig, John F.","Ruthenium-Catalyzed Hydroamination of Unactivated Terminal Alkenes with Stoichiometric Amounts of Alkene and an Ammonia Surrogate by Sequential Oxidation and Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11043","","","0.71073","MoKα","","0.0401","0.0335","","","0.0794","0.0819","","","","","","1.033","","","","has coordinates,has disorder","260321","2021-01-01","00:19:17",""
"4135481","13.713","0.0005","13.7765","0.0004","15.619","0.0004","86.125","0.002","86.183","0.003","60.219","0.003","2553.29","0.16","100","0.2","100","0.2","","","","","","","","6","P 1","P 1","1","","","","- C39 H74 Au0.5 K0.5 N O35 -","- C39 H74 Au0.49995 K0.5 N O35 -","- C78 H148 Au0.9999 K N2 O70 -","2","2","","Liu, Wenqi; Jones, Leighton O.; Wu, Huang; Stern, Charlotte L.; Sponenburg, Rebecca A.; Schatz, George C.; Stoddart, J. Fraser","Supramolecular Gold Stripping from Activated Carbon Using α-Cyclodextrin.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11769","","x-ray","0.71073","MoKα","","0.0763","0.0571","","","0.1313","0.1383","","","","","","1.032","","","","has coordinates,has disorder","260322","2021-01-01","00:19:47",""
"4135482","13.99063","0.00013","23.4405","0.0002","51.2967","0.0004","90","","90","","90","","16822.6","0.2","100.02","0.1","100.02","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H74 Au K N2 O37 -","- C38 H74 Au K N2 O37 -","- C456 H888 Au12 K12 N24 O444 -","12","3","","Liu, Wenqi; Jones, Leighton O.; Wu, Huang; Stern, Charlotte L.; Sponenburg, Rebecca A.; Schatz, George C.; Stoddart, J. Fraser","Supramolecular Gold Stripping from Activated Carbon Using α-Cyclodextrin.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11769","","x-ray","1.54184","CuKα","","0.0652","0.0588","","","0.1425","0.1474","","","","","","1.022","","","","has coordinates","260323","2021-01-01","00:20:23",""
"4135483","13.7332","0.0005","13.7848","0.0005","15.6408","0.0007","86.135","0.004","86.215","0.003","60.269","0.004","2563.5","0.2","99.98","0.17","99.98","0.17","","","","","","","","6","P 1","P 1","1","","","","- C78 H148 Ag K N2 O70 -","- C78 H148 Ag K N2 O70 -","- C78 H148 Ag K N2 O70 -","1","1","","Liu, Wenqi; Jones, Leighton O.; Wu, Huang; Stern, Charlotte L.; Sponenburg, Rebecca A.; Schatz, George C.; Stoddart, J. Fraser","Supramolecular Gold Stripping from Activated Carbon Using α-Cyclodextrin.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11769","","x-ray","0.71073","MoKα","","0.0791","0.0755","","","0.1968","0.1988","","","","","","1.102","","","","has coordinates,has disorder","260324","2021-01-01","00:20:44",""
"4135484","25.65","0.005","16.48","0.003","17.35","0.004","90","","106.05","0.03","90","","7048","3","160","2","160","2","","","","","","","","5","C 1 2/m 1","-C 2y","12",";Sc3N@C2v(7854)-C70/NiOEP/C6H6/C7H8;","","","- C116 H55 N5 Ni Sc3 -","- C116 H52 N5 Ni Sc3 -","- C464 H208 N20 Ni4 Sc12 -","4","0.5","","Hao, Yajuan; Wang, Yaofeng; Dubrovin, Vasilii; Avdoshenko, Stanislav M.; Popov, Alexey A.; Liu, Fupin","Caught in Phase Transition: Snapshot of the Metallofullerene Sc3N@C70 Rotation in the Crystal","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10758","","","0.7999","synchrotron","","0.1172","0.0925","","","0.2737","0.3143","","","","","","1.097","","","","has coordinates","260325","2021-01-01","00:21:20",""
"4135485","17.21","0.003","16.42","0.003","25.76","0.005","90","","106.31","0.03","90","","6987","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14",";Sc3N@C2v(7854)-C70/NiOEP/C6H6/C7H8;","","","- C116 H55 N5 Ni Sc3 -","- C116 H55 N5 Ni Sc3 -","- C464 H220 N20 Ni4 Sc12 -","4","1","","Hao, Yajuan; Wang, Yaofeng; Dubrovin, Vasilii; Avdoshenko, Stanislav M.; Popov, Alexey A.; Liu, Fupin","Caught in Phase Transition: Snapshot of the Metallofullerene Sc3N@C70 Rotation in the Crystal","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10758","","","0.7999","synchrotron","","0.094","0.0805","","","0.2244","0.238","","","","","","1.059","","","","has coordinates,has disorder","260326","2021-01-01","00:21:53",""
"4135486","25.67","0.005","16.53","0.003","17.42","0.004","90","","105.99","0.03","90","","7106","3","220","2","220","2","","","","","","","","5","C 1 2/m 1","-C 2y","12",";Sc3N@C2v(7854)-C70/NiOEP/C6H6/C7H8;","","","- C116 H55 N5 Ni Sc3 -","- C116 H52 N5 Ni Sc3 -","- C464 H208 N20 Ni4 Sc12 -","4","0.5","","Hao, Yajuan; Wang, Yaofeng; Dubrovin, Vasilii; Avdoshenko, Stanislav M.; Popov, Alexey A.; Liu, Fupin","Caught in Phase Transition: Snapshot of the Metallofullerene Sc3N@C70 Rotation in the Crystal","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10758","","","0.7999","synchrotron","","0.1278","0.098","","","0.3036","0.3479","","","","","","1.081","","","","has coordinates","260327","2021-01-01","00:22:27",""
"4135487","35.208","0.009","8.244","0.002","9.711","0.003","90","","90","","90","","2818.7","1.3","296","2","296.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C120 H112 Cl8 N8 O8 -","8","2","","Yao, Ya-Hong; Yang, Hui-Yi; Chen, Ming; Wu, Fei; Xu, Xing-Xing; Guan, Zheng-Hui","Asymmetric Markovnikov Hydroaminocarbonylation of Alkenes Enabled by Palladium-Monodentate Phosphoramidite Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11249","","","0.71073","MoKα","","0.0993","0.0537","","","0.1067","0.1243","","","","","","0.969","","","","has coordinates","260328","2021-01-01","00:30:21",""
"4135488","21.642","0.0003","24.0386","0.0004","25.2054","0.0004","80.592","0.001","81.819","0.001","79.012","0.001","12615.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C223 H178.5 Ag8 F36 I2 N48.5 O25.5 S12 -","- C223.002 H171 Ag8 F36 I2 N48.501 O25.5 S12 -","- C446.004 H342 Ag16 F72 I4 N97.002 O51 S24 -","2","1","","McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Selective Anion Binding Drives the Formation of AgI8L6 and AgI12L6 Six-Stranded Helicates","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11905","","","0.6889","Synchrotron","","0.1226","0.0741","","","0.2033","0.2245","","","","","","0.965","","","","has coordinates,has disorder","260329","2021-01-01","00:31:00",""
"4135489","23.9775","0.0001","23.9775","0.0001","70.6392","0.0003","90","","90","","120","","35171","0.3","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C221 H204.5 Ag12 B4 F16 N46.5 O22.5 S4 -","- C220.999 H179.001 Ag12 B3.9999 F15.9996 N46.4995 O22.5001 S4 -","- C1326 H1074.01 Ag72 B23.9994 F95.9976 N278.997 O135.001 S24 -","6","0.333333","","McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Selective Anion Binding Drives the Formation of AgI8L6 and AgI12L6 Six-Stranded Helicates","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11905","","","0.6889","","","0.0608","0.0474","","","0.1646","0.1703","","","","","","1.071","","","","has coordinates,has disorder","260330","2021-01-01","00:31:51",""
"4135490","9.068","0.004","18.588","0.009","14.778","0.007","90","","97.915","0.006","90","","2467","2","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Fe N P -","- C28 H30 Fe N P -","- C112 H120 Fe4 N4 P4 -","4","1","","Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11448","","","0.71","synchrotron","","0.0898","0.0515","","","0.1207","0.1449","","","","","","1.0883","","","","has coordinates","260331","2021-01-01","00:33:48",""
"4135491","10.3021","0.0002","15.5176","0.0003","15.833","0.0002","90","","97.035","0.001","90","","2512.07","0.08","172.98","0.1","172.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 Fe O P -","- C28 H41 Fe O P -","- C112 H164 Fe4 O4 P4 -","4","1","","Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11448","","x-ray","1.54184","CuKα","","0.049","0.0396","","","0.0896","0.0953","","","","","","1.062","","","","has coordinates","260331","2021-01-01","00:33:48",""
"4135492","11.1228","0.0004","12.5847","0.0005","14.3033","0.0005","68.935","0.003","74.78","0.003","72.989","0.003","1758.59","0.12","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H46 Fe N3 P Sn -","- C36 H46 Fe N3 P Sn -","- C72 H92 Fe2 N6 P2 Sn2 -","2","1","","Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11448","","","1.54184","CuKα","","0.051","0.0407","","","0.1036","0.113","","","","","","1.065","","","","has coordinates,has disorder","260331","2021-01-01","00:33:48",""
"4135493","10.3649","0.0005","12.66","0.0006","20.0264","0.0007","80.482","0.003","81.219","0.004","66.868","0.005","2372.1","0.2","172.99","0.1","172.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H76 Fe N P Sn2 -","- C48 H76 Fe N P Sn2 -","- C96 H152 Fe2 N2 P2 Sn4 -","2","1","","Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11448","","x-ray","1.54184","CuKα","","0.071","0.0552","","","0.1355","0.1529","","","","","","1.054","","","","has coordinates","260331","2021-01-01","00:33:48",""
"4135494","11.1311","0.0005","12.5609","0.0006","14.3749","0.0005","68.552","0.004","73.77","0.004","72.278","0.004","1749.54","0.14","173","0.1","173","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C37 H48 Fe N O P Sn -","- C37 H48 Fe N O P Sn -","- C74 H96 Fe2 N2 O2 P2 Sn2 -","2","1","","Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11448","","x-ray","1.54184","CuKα","","0.055","0.0468","","","0.1127","0.1169","","","","","","1.017","","","","has coordinates","260331","2021-01-01","00:33:48",""
"4135495","10.2056","0.0004","11.5487","0.0004","13.9039","0.0003","100.883","0.002","90.65","0.002","113.739","0.004","1466.13","0.1","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 Fe N P -","- C36 H36 Fe N P -","- C72 H72 Fe2 N2 P2 -","2","1","","Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11448","","x-ray","1.54184","CuKα","","0.0409","0.0378","","","0.0997","0.1014","","","","","","1.089","","","","has coordinates","260331","2021-01-01","00:33:48",""
"4135496","10.5741","0.0002","17.7274","0.0003","33.2179","0.0005","90","","92.91","0.002","90","","6218.71","0.18","172.99","0.1","172.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H94 Fe2 O2 P2 -","- C72 H94 Fe2 O2 P2 -","- C288 H376 Fe8 O8 P8 -","4","1","","Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11448","","x-ray","1.54184","CuKα","","0.0917","0.0728","","","0.1936","0.2412","","","","","","1.07","","","","has coordinates","260331","2021-01-01","00:33:48",""
"4135497","10.3227","0.0004","12.8127","0.0005","13.4047","0.0005","99.047","0.003","101.93","0.003","92.236","0.003","1708.36","0.12","172.99","0.1","172.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H51 Fe2 O P -","- C40 H51 Fe2 O P -","- C80 H102 Fe4 O2 P2 -","2","1","","Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11448","","x-ray","1.54184","CuKα","","0.0522","0.0384","","","0.0866","0.0967","","","","","","1.046","","","","has coordinates","260331","2021-01-01","00:33:48",""
"4135542","11.506","0.008","12.614","0.006","17.118","0.016","75.681","0.017","71.28","0.03","88.66","0.015","2276","3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H68 N2 O3 Ru -","- C53 H68 N2 O3 Ru -","- C106 H136 N4 O6 Ru2 -","2","1","","Xu, Yan; Wong, Jonathan J.; Samkian, Adrian E.; Ko, Jeong Hoon; Chen, Shuming; Houk, K. N.; Grubbs, Robert H.","Efficient Z-Selective Olefin-Acrylamide Cross-Metathesis Enabled by Sterically Demanding Cyclometalated Ruthenium Catalysts","Journal of the American Chemical Society","2020","142","","20987","20993","10.1021/jacs.0c11334","","","0.71073","MoKα","","0.0475","0.0338","","","0.0722","0.0768","","","","","","1.04","","","","has coordinates","261190","2021-01-25","10:14:17",""
"4350770","16.3338","0.0008","18.9402","0.0006","19.5016","0.0008","90","","107.165","0.003","90","","5764.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H110 Ge12 N4 Nd10 O84 -","- C62 H56 Ge12 N4 Nd10 O84 -","- C124 H112 Ge24 N8 Nd20 O168 -","2","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Correction to Lanthanide Germanate Cluster Organic Frameworks Based on {Ln<sub>8</sub>Ge<sub>12</sub>} Clusters: From One-Dimensional Chains to Two- Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2020","59","5","3340","3340","10.1021/acs.inorgchem.9b03158","","","0.71073","MoKα","","0.0525","0.0458","","","0.1171","0.1223","","","","","","1.065","","","","has coordinates","257106","2020-10-21","18:00:00",""
"4350771","16.425","0.006","18.842","0.006","19.184","0.007","90","","106.542","0.005","90","","5691","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H108 Ge12 N6 Nd10 O84 -","- C60 H60 Ge12 N6 Nd10 O84 -","- C120 H120 Ge24 N12 Nd20 O168 -","2","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Correction to Lanthanide Germanate Cluster Organic Frameworks Based on {Ln<sub>8</sub>Ge<sub>12</sub>} Clusters: From One-Dimensional Chains to Two- Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2020","59","5","3340","3340","10.1021/acs.inorgchem.9b03158","","","0.71073","MoKα","","0.0498","0.0377","","","0.0934","0.1042","","","","","","1.047","","","","has coordinates","257106","2020-10-21","18:00:00",""
"4350772","10.6118","0.0004","3.70869","0.00011","6.13996","0.00019","90","","106.44","0.0008","90","","231.764","0.013","1.5","","1.5","","","","","","","","","4","C 1 2/m 1","-C 2y","12","cobalt(II) thiocyanate","catena[bis(mu2-thiocyanato-N,S)cobalt(II)]","","- C2 Co N2 S2 -","- C2 Co N2 S2 -","- C4 Co2 N4 S4 -","2","0.25","","Bassey, Euan N.; Paddison, Joseph A. M.; Keyzer, Evan N.; Lee, Jeongjae; Manuel, Pascal; da Silva, Ivan; Dutton, Siân E.; Grey, Clare P.; Cliffe, Matthew J.","Strengthening the Magnetic Interactions in Pseudobinary First-Row Transition Metal Thiocyanates, M(NCS)2","Inorganic Chemistry","2020","59","16","11627","11639","10.1021/acs.inorgchem.0c01478","powder diffraction","","","","","","","","","","","","","0.0718","","","","","","","has coordinates","287952","2023-12-03","17:53:14",""
"4350773","10.63","0.016","3.742","0.006","6.168","0.01","90","","105.038","0.007","90","","236.9","0.6","10","","10","","","","","","","","","4","C 1 2/m 1","-C 2y","12","iron(II) thiocyanate","catena[bis(mu2-thiocyanato-N,S)iron(II)]","","- C2 Fe N2 S2 -","- C2 Fe N2 S2 -","- C4 Fe2 N4 S4 -","2","0.25","","Bassey, Euan N.; Paddison, Joseph A. M.; Keyzer, Evan N.; Lee, Jeongjae; Manuel, Pascal; da Silva, Ivan; Dutton, Siân E.; Grey, Clare P.; Cliffe, Matthew J.","Strengthening the Magnetic Interactions in Pseudobinary First-Row Transition Metal Thiocyanates, M(NCS)2","Inorganic Chemistry","2020","59","16","11627","11639","10.1021/acs.inorgchem.0c01478","powder diffraction","","","","","","","","","","","","","2.97","","","","","","","has coordinates","287952","2023-12-03","17:53:15",""
"4350774","10.837","0.0017","3.8824","0.0006","6.2175","0.0009","90","","105.348","0.002","90","","252.26","0.07","1.5","","1.5","","","","","","","","","4","C 1 2/m 1","-C 2y","12","manganese(II) thiocyanate","catena[bis(mu2-thiocyanato-N,S)manganese(II)]","","- C2 Mn N2 S2 -","- C2 Mn N2 S2 -","- C4 Mn2 N4 S4 -","2","0.25","","Bassey, Euan N.; Paddison, Joseph A. M.; Keyzer, Evan N.; Lee, Jeongjae; Manuel, Pascal; da Silva, Ivan; Dutton, Siân E.; Grey, Clare P.; Cliffe, Matthew J.","Strengthening the Magnetic Interactions in Pseudobinary First-Row Transition Metal Thiocyanates, M(NCS)2","Inorganic Chemistry","2020","59","16","11627","11639","10.1021/acs.inorgchem.0c01478","powder diffraction","","","","","","","","","","","","","0.299","","","","","","","has coordinates","287952","2023-12-03","17:53:15",""
"4350775","10.507","0.0005","3.61889","0.00005","6.16252","0.00016","90","","107.509","0.003","90","","223.465","0.013","1.5","","1.5","","","","","","","","","4","C 1 2/m 1","-C 2y","12","nickel(II) thiocyanate","catena[bis(mu2-thiocyanato-N,S)nickel(II)]","","- C2 N2 Ni S2 -","- C2 N2 Ni S2 -","- C4 N4 Ni2 S4 -","2","0.25","","Bassey, Euan N.; Paddison, Joseph A. M.; Keyzer, Evan N.; Lee, Jeongjae; Manuel, Pascal; da Silva, Ivan; Dutton, Siân E.; Grey, Clare P.; Cliffe, Matthew J.","Strengthening the Magnetic Interactions in Pseudobinary First-Row Transition Metal Thiocyanates, M(NCS)2","Inorganic Chemistry","2020","59","16","11627","11639","10.1021/acs.inorgchem.0c01478","powder diffraction","","","","","","","","","","","","","0.376","","","","","","","has coordinates","287952","2023-12-03","17:53:15",""
"4350776","6.72257","0.0001","9.34586","0.00015","9.00894","0.00013","90","","102.883","0.0013","90","","551.768","0.015","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B4 Dy2 K2 Li4 O12 -","- B4 Dy2 K2 Li4 O12 -","- B8 Dy4 K4 Li8 O24 -","2","0.5","","Chen, Pengyun; Murshed, M. Mangir; Fischer, Michael; Frederichs, Thomas; Gesing, Thorsten M.","KLi2RE(BO3)2 (RE = Dy, Ho, Er, Tm, Yb, and Y): Structural, Spectroscopic, And Thermogravimetric Studies on a Series of Mixed-Alkali Rare-Earth Orthoborates","Inorganic Chemistry","2020","59","24","18214","18224","10.1021/acs.inorgchem.0c02684","","","0.71073","MoKα","","0.0443","0.0266","","","0.0325","0.0348","","","","","","1.048","","","","has coordinates","260042","2020-12-21","16:21:17",""
"4350777","6.69887","0.00005","9.28866","0.00006","8.97274","0.00007","90","","102.751","0.0006","90","","544.546","0.007","301","2","301","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B2 Er K Li2 O6 -","- B2 Er K Li2 O6 -","- B8 Er4 K4 Li8 O24 -","4","1","","Chen, Pengyun; Murshed, M. Mangir; Fischer, Michael; Frederichs, Thomas; Gesing, Thorsten M.","KLi2RE(BO3)2 (RE = Dy, Ho, Er, Tm, Yb, and Y): Structural, Spectroscopic, And Thermogravimetric Studies on a Series of Mixed-Alkali Rare-Earth Orthoborates","Inorganic Chemistry","2020","59","24","18214","18224","10.1021/acs.inorgchem.0c02684","","","0.71073","MoKα","","0.0143","0.0117","","","0.0241","0.0246","","","","","","1.074","","","","has coordinates","260043","2020-12-21","16:21:53",""
"4350778","6.71112","0.00005","9.31737","0.00006","8.99091","0.00006","90","","102.826","0.0006","90","","548.175","0.007","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B2 Ho K Li2 O6 -","- B2 Ho K Li2 O6 -","- B8 Ho4 K4 Li8 O24 -","4","1","","Chen, Pengyun; Murshed, M. Mangir; Fischer, Michael; Frederichs, Thomas; Gesing, Thorsten M.","KLi2RE(BO3)2 (RE = Dy, Ho, Er, Tm, Yb, and Y): Structural, Spectroscopic, And Thermogravimetric Studies on a Series of Mixed-Alkali Rare-Earth Orthoborates","Inorganic Chemistry","2020","59","24","18214","18224","10.1021/acs.inorgchem.0c02684","","","0.71073","MoKα","","0.0299","0.0202","","","0.0303","0.0319","","","","","","1.053","","","","has coordinates","260044","2020-12-21","16:25:29",""
"4350779","6.68034","0.00008","9.25845","0.00001","8.94919","0.00012","90","","102.666","0.001","90","","540.034","0.01","301","2","301","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B2 K Li2 O6 Tm -","- B2 K Li2 O6 Tm -","- B8 K4 Li8 O24 Tm4 -","4","1","","Chen, Pengyun; Murshed, M. Mangir; Fischer, Michael; Frederichs, Thomas; Gesing, Thorsten M.","KLi2RE(BO3)2 (RE = Dy, Ho, Er, Tm, Yb, and Y): Structural, Spectroscopic, And Thermogravimetric Studies on a Series of Mixed-Alkali Rare-Earth Orthoborates","Inorganic Chemistry","2020","59","24","18214","18224","10.1021/acs.inorgchem.0c02684","","","0.71073","MoKα","","0.0287","0.0195","","","0.0295","0.031","","","","","","1.042","","","","has coordinates","260045","2020-12-21","16:25:49",""
"4350780","6.71322","0.00006","9.30571","0.00008","8.9865","0.00008","90","","102.835","0.0008","90","","547.371","0.009","301","2","301","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B2 K Li2 O6 Y -","- B2 K Li2 O6 Y -","- B8 K4 Li8 O24 Y4 -","4","1","","Chen, Pengyun; Murshed, M. Mangir; Fischer, Michael; Frederichs, Thomas; Gesing, Thorsten M.","KLi2RE(BO3)2 (RE = Dy, Ho, Er, Tm, Yb, and Y): Structural, Spectroscopic, And Thermogravimetric Studies on a Series of Mixed-Alkali Rare-Earth Orthoborates","Inorganic Chemistry","2020","59","24","18214","18224","10.1021/acs.inorgchem.0c02684","","","0.71073","MoKα","","0.064","0.0328","","","0.0497","0.0559","","","","","","1.005","","","","has coordinates","260046","2020-12-21","16:26:16",""
"4350781","6.68262","0.00004","9.22959","0.00005","8.93478","0.00006","90","","102.592","0.0005","90","","537.823","0.006","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B2 K Li2 O6 Yb -","- B2 K Li2 O6 Yb -","- B8 K4 Li8 O24 Yb4 -","4","1","","Chen, Pengyun; Murshed, M. Mangir; Fischer, Michael; Frederichs, Thomas; Gesing, Thorsten M.","KLi2RE(BO3)2 (RE = Dy, Ho, Er, Tm, Yb, and Y): Structural, Spectroscopic, And Thermogravimetric Studies on a Series of Mixed-Alkali Rare-Earth Orthoborates","Inorganic Chemistry","2020","59","24","18214","18224","10.1021/acs.inorgchem.0c02684","","","0.71073","MoKα","","0.0125","0.0118","","","0.0318","0.0321","","","","","","1.054","","","","has coordinates","260047","2020-12-21","16:26:38",""
"4350782","11.9086","0.0005","21.6399","0.0008","14.8958","0.0006","90","","102.158","0.002","90","","3752.6","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(N'-[4-amino-6-(pyridin-2-yl)-1,3,5-triazin-2-yl]ethanimidamide) -(N-[4-amino-6-(pyridin-2-yl)-1,3,5-triazin-2-yl]ethanimidamide)-cobalt diperchlorate acetonitrile solvate","","- C28 H33 Cl2 Co N18 O8 -","- C28 H33 Cl2 Co N18 O8 -","- C112 H132 Cl8 Co4 N72 O32 -","4","1","","Rajak, Sanil; Chair,Khaoula; Rana, Love Karan; Kaur, Prabhjyot; Maris, Thierry; Duong, Adam","Amidine/Amidinate Cobalt Complexes: One-Pot Synthesis, Mechanism, and Photocatalytic Application for Hydrogen Production","Inorganic Chemistry","2020","59","","14910","14919","10.1021/acs.inorgchem.0c01495","","","1.54178","CuKα","","0.0642","0.0528","","","0.1422","0.1521","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","260193","2020-12-29","19:58:36",""
"4350783","11.5878","0.0006","7.4968","0.0004","21.0318","0.0011","90","","100.942","0.003","90","","1793.85","0.16","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/n 1","-P 2yn","14","","bis(acetonitrile)-diaqua-bis[6-(pyridin-4-yl)-1,3,5-triazine-2,4-diamine] -cobalt diperchlorate acetonitrile solvate","","- C24 H32 Cl2 Co N16 O10 -","- C24 H32 Cl2 Co N16 O10 -","- C48 H64 Cl4 Co2 N32 O20 -","2","0.5","","Rajak, Sanil; Chair,Khaoula; Rana, Love Karan; Kaur, Prabhjyot; Maris, Thierry; Duong, Adam","Amidine/Amidinate Cobalt Complexes: One-Pot Synthesis, Mechanism, and Photocatalytic Application for Hydrogen Production","Inorganic Chemistry","2020","59","","14910","14919","10.1021/acs.inorgchem.0c01495","","","1.54178","CuKα","","0.0789","0.0446","","","0.0945","0.1016","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","260194","2020-12-29","19:58:49",""
"4350784","24.4834","0.0007","9.8021","0.0003","24.8817","0.0007","90","","101.822","0.001","90","","5844.7","0.3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(acetonitrile)-bis[6-(pyridin-2-yl)-1,3,5-triazine-2,4-diamine] -cobalt diperchlorate","","- C20 H22 Cl2 Co N14 O8 -","- C20 H22 Cl2 Co N14 O8 -","- C160 H176 Cl16 Co8 N112 O64 -","8","1","","Rajak, Sanil; Chair,Khaoula; Rana, Love Karan; Kaur, Prabhjyot; Maris, Thierry; Duong, Adam","Amidine/Amidinate Cobalt Complexes: One-Pot Synthesis, Mechanism, and Photocatalytic Application for Hydrogen Production","Inorganic Chemistry","2020","59","","14910","14919","10.1021/acs.inorgchem.0c01495","","x-ray","1.34139","GaKα","","0.0482","0.0452","","","0.1251","0.1289","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","260195","2020-12-29","19:59:08",""
"4350785","12.5415","0.0003","16.956","0.0004","23.1839","0.0006","90","","105.14","0.001","90","","4759","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N'-[4-amino-6-(pyridin-2-yl)-1,3,5-triazin-2-yl]benzenecarboximidamide) -(N-[4-amino-6-(pyridin-2-yl)-1,3,5-triazin-2-yl]benzenecarboximidamido)-cobalt diperchlorate benzonitrile ethyl acetate solvate","","- C83 H87 Cl4 Co2 N29 O24 -","- C83 H87 Cl4 Co2 N29 O24 -","- C166 H174 Cl8 Co4 N58 O48 -","2","0.5","","Rajak, Sanil; Chair,Khaoula; Rana, Love Karan; Kaur, Prabhjyot; Maris, Thierry; Duong, Adam","Amidine/Amidinate Cobalt Complexes: One-Pot Synthesis, Mechanism, and Photocatalytic Application for Hydrogen Production","Inorganic Chemistry","2020","59","","14910","14919","10.1021/acs.inorgchem.0c01495","","x-ray","1.34139","GaKα","","0.0501","0.0474","","","0.1298","0.1326","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","260197","2020-12-29","20:22:47",""
"4350786","12.328","0.0003","20.9629","0.0005","23.1256","0.0005","90","","90.308","0.001","90","","5976.3","0.2","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","N'-[4-amino-6-(pyridin-2-yl)-1,3,5-triazin-2-yl]benzenecarboximidamide) -(N-[4-amino-6-(pyridin-2-yl)-1,3,5-triazin-2-yl]benzenecarboximidamido)-cobalt diperchlorate benzonitrile ethyl acetate solvate","","- C62 H54 B Co F4 N18 O -","- C62 H54 B Co F4 N18 O -","- C248 H216 B4 Co4 F16 N72 O4 -","4","1","","Rajak, Sanil; Chair,Khaoula; Rana, Love Karan; Kaur, Prabhjyot; Maris, Thierry; Duong, Adam","Amidine/Amidinate Cobalt Complexes: One-Pot Synthesis, Mechanism, and Photocatalytic Application for Hydrogen Production","Inorganic Chemistry","2020","59","","14910","14919","10.1021/acs.inorgchem.0c01495","","x-ray","1.34139","GaKα","","0.0356","0.033","","","0.0864","0.0886","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","260198","2020-12-29","20:28:29",""
"4350827","20.3687","0.0011","8.8343","0.0005","18.9769","0.0009","90","","115.79","0.005","90","","3074.6","0.3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cl2 Co N4 S2 -","- C12 H8 Cl2 Co N4 S2 -","- C96 H64 Cl16 Co8 N32 S16 -","8","1","","Michael Böhme; Aleksej Jochim; Michał Rams; Thomas Lohmiller; Stefan Suckert; Alexander Schnegg; Winfried Plass; Christian Näther","Variation of the Chain Geometry in Isomeric 1D Co(NCS)2 Coordination Polymers and Their Influence on the Magnetic Properties","Inorganic Chemistry","2020","59","8","5325","5338","10.1021/acs.inorgchem.9b03357","","","0.71073","MoKα","","0.0554","0.0391","","","0.0874","0.0947","","","","","","1.024","","","","has coordinates","297595","2025-02-05","19:15:22",""
"4350828","8.083","0.0005","9.3935","0.0006","10.7022","0.0007","73.445","0.005","83.196","0.005","80.791","0.005","766.59","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Cl2 Co N4 S2 -","- C12 H8 Cl2 Co N4 S2 -","- C24 H16 Cl4 Co2 N8 S4 -","2","1","","Michael Böhme; Aleksej Jochim; Michał Rams; Thomas Lohmiller; Stefan Suckert; Alexander Schnegg; Winfried Plass; Christian Näther","Variation of the Chain Geometry in Isomeric 1D Co(NCS)2 Coordination Polymers and Their Influence on the Magnetic Properties","Inorganic Chemistry","2020","59","8","5325","5338","10.1021/acs.inorgchem.9b03357","","","0.71073","MoKα","","0.0948","0.0604","","","0.089","0.0975","","","","","","1.168","","","","has coordinates","297596","2025-02-05","19:16:32",""
"4350832","11.1314","0.0008","5.6539","0.0003","12.7102","0.0009","90","","102.278","0.006","90","","781.63","0.09","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Co N4 S2 -","- C14 H14 Co N4 S2 -","- C28 H28 Co2 N8 S4 -","2","0.5","","Aleksej Jochim; Thomas Lohmiller; Michał Rams; Michael Böhme; Magdalena Ceglarska; Alexander Schnegg; Winfried Plass; Christian Näther","Influence of the Coligand onto the Magnetic Anisotropy and the Magnetic Behavior of One-Dimensional Coordination Polymers","Inorganic Chemistry","2020","59","13","8971","8982","10.1021/acs.inorgchem.0c00815","","","0.71073","MoKα","","0.0341","0.0316","","","0.0903","0.0921","","","","","","1.079","","","","has coordinates","297705","2025-02-12","17:36:37",""
"4350833","5.6769","0.0003","6.6815","0.0004","9.8653","0.0006","84.847","0.005","82.077","0.005","70.706","0.005","349.41","0.04","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H18 Co N4 O2 S2 -","- C10 H18 Co N4 O2 S2 -","- C10 H18 Co N4 O2 S2 -","1","0.5","","Aleksej Jochim; Thomas Lohmiller; Michał Rams; Michael Böhme; Magdalena Ceglarska; Alexander Schnegg; Winfried Plass; Christian Näther","Influence of the Coligand onto the Magnetic Anisotropy and the Magnetic Behavior of One-Dimensional Coordination Polymers","Inorganic Chemistry","2020","59","13","8971","8982","10.1021/acs.inorgchem.0c00815","","","0.71073","MoKα","","0.0222","0.0194","","","0.0499","0.0507","","","","","","1.027","","","","has coordinates","297705","2025-02-12","17:36:38",""
"4350834","5.6745","0.0004","8.6004","0.0006","8.6262","0.0006","63.511","0.005","84.644","0.005","71.042","0.005","355.69","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H12 Co N6 S4 -","- C8 H12 Co N6 S4 -","- C8 H12 Co N6 S4 -","1","0.5","","Aleksej Jochim; Thomas Lohmiller; Michał Rams; Michael Böhme; Magdalena Ceglarska; Alexander Schnegg; Winfried Plass; Christian Näther","Influence of the Coligand onto the Magnetic Anisotropy and the Magnetic Behavior of One-Dimensional Coordination Polymers","Inorganic Chemistry","2020","59","13","8971","8982","10.1021/acs.inorgchem.0c00815","","","0.71073","MoKα","","0.029","0.0233","","","0.0544","0.0561","","","","","","1.037","","","","has coordinates","297705","2025-02-12","17:36:38",""
"4517292","9.2782","0.0001","9.2782","0.0001","39.8985","0.0013","90","","90","","90","","3434.66","0.12","296","2","296","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C18 H23 N O -","- C18 H23 N O -","- C144 H184 N8 O8 -","8","1","","Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao","Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species","ACS Catalysis","2020","","","1334","","10.1021/acscatal.9b04699","","","1.54184","CuKα","","0.0873","0.0735","","","0.2262","0.2407","","","","","","1.062","","","","has coordinates","246429","2020-10-21","18:00:00",""
"4517293","5.6249","0.0003","8.6932","0.0007","34.663","0.002","90","","92.653","0.006","90","","1693.15","0.19","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O -","- C20 H23 N O -","- C80 H92 N4 O4 -","4","1","","Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao","Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species","ACS Catalysis","2020","","","1334","","10.1021/acscatal.9b04699","","","1.54184","CuKα","","0.0801","0.0539","","","0.1339","0.1552","","","","","","1.049","","","","has coordinates","246430","2020-10-21","18:00:00",""
"4517294","6.5339","0.0004","8.3328","0.0005","15.0376","0.0007","85.743","0.004","84.357","0.004","77.273","0.005","793.58","0.08","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C32 H42 N2 O6 -","2","1","","Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao","Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species","ACS Catalysis","2020","","","1334","","10.1021/acscatal.9b04699","","","1.54184","CuKα","","0.0575","0.0477","","","0.1369","0.1469","","","","","","1.046","","","","has coordinates","246431","2020-10-21","18:00:00",""
"4517295","9.47792","0.00011","11.47657","0.00011","15.35077","0.00016","90","","90","","90","","1669.76","0.03","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao","Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species","ACS Catalysis","2020","","","1334","","10.1021/acscatal.9b04699","","","1.54184","CuKα","","0.0542","0.053","","","0.1623","0.1647","","","","","","1.07","","","","has coordinates","246432","2020-10-21","18:00:00",""
"4517296","7.638","0.0001","11.3062","0.0002","20.7899","0.0003","90","","95.235","0.001","90","","1787.86","0.05","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","","Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao","Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species","ACS Catalysis","2020","","","1334","","10.1021/acscatal.9b04699","","","1.54184","CuKα","","0.0516","0.0463","","","0.1311","0.1384","","","","","","1.03","","","","has coordinates","246433","2020-10-21","18:00:00",""
"4517297","16.66","0.001","15.5656","0.0008","28.2198","0.0016","90","","97.375","0.004","90","","7257.5","0.7","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 n 1","P -2yac","7","","","","- C84 H54 Cl2 P2 Pd -","- C84 H54 Cl2 P2 Pd -","- C336 H216 Cl8 P8 Pd4 -","4","2","","Beránek, Tomáš; Žádný, Jaroslav; Strašák, Tomáš; Karban, Jindřich; Císařová, Ivana; Sýkora, Jan; Storch, Jan","Synthesis of a Helical Phosphine and a Catalytic Study of Its Palladium Complex.","ACS omega","2020","5","1","882","892","10.1021/acsomega.9b03830","","","1.54178","CuKα","","0.2117","0.1004","","","0.2611","0.3273","","","","","","0.97","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4517301","18.756","0.002","18.756","0.002","37.339","0.01","90","","90","","120","","11376","3","296","2","296","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C24 H12 Cu2 O10 Se -","- C24 H12 Cu2 O10 Se -","- C216 H108 Cu18 O90 Se9 -","9","0.25","","Dong, Qiubing; Guo, Yanan; Cao, Haifei; Wang, Suna; Matsuda, Ryotaro; Duan, Jingui","Accelerated C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> Separation by a Se-Functionalized Porous Coordination Polymer with Low Binding Energy.","ACS applied materials & interfaces","2020","12","3","3764","3772","10.1021/acsami.9b20623","","","0.71073","MoKα","","0.0989","0.0792","","","0.2637","0.289","","","","","","1.149","","","","has coordinates,has disorder","247520","2020-10-21","18:00:00",""
"4517302","12.7592","0.0007","12.8409","0.0007","21.6356","0.0012","85.111","0.001","78.328","0.001","76.463","0.001","3372.4","0.3","120","2","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C69 H61 B F24 N2 Pd -","- C69 H61 B F24 N2 Pd -","- C138 H122 B2 F48 N4 Pd2 -","2","1","","Bermesheva, Evgeniya V.; Wozniak, Alyona I.; Andreyanov, Fedor A.; Karpov, Gleb O.; Nechaev, Mikhail S.; Asachenko, Andrey F.; Topchiy, Maxim A.; Melnikova, Elizaveta K.; Nelyubina, Yulia V.; Gribanov, Pavel S.; Bermeshev, Maxim V.","Polymerization of 5-Alkylidene-2-norbornenes with Highly Active Pd‒N-Heterocyclic Carbene Complex Catalysts: Catalyst Structure‒Activity Relationships","ACS Catalysis","2020","","","1663","1678","10.1021/acscatal.9b04686","","","0.71073","MoKα","","0.1179","0.0593","","","0.1191","0.1473","","","","","","1.006","","","","has coordinates,has disorder","257043","2020-10-21","18:00:00",""
"4517303","13.8611","0.0016","16.2187","0.0019","16.4272","0.0019","90","","95.818","0.003","90","","3674","0.7","120","2","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H49 F6 N2 Pd Sb -","- C37 H49 F6 N2 Pd Sb -","- C148 H196 F24 N8 Pd4 Sb4 -","4","1","","Bermesheva, Evgeniya V.; Wozniak, Alyona I.; Andreyanov, Fedor A.; Karpov, Gleb O.; Nechaev, Mikhail S.; Asachenko, Andrey F.; Topchiy, Maxim A.; Melnikova, Elizaveta K.; Nelyubina, Yulia V.; Gribanov, Pavel S.; Bermeshev, Maxim V.","Polymerization of 5-Alkylidene-2-norbornenes with Highly Active Pd‒N-Heterocyclic Carbene Complex Catalysts: Catalyst Structure‒Activity Relationships","ACS Catalysis","2020","","","1663","1678","10.1021/acscatal.9b04686","","","0.71073","MoKα","","0.0572","0.0381","","","0.0752","0.0839","","","","","","1.014","","","","has coordinates,has disorder","257043","2020-10-21","18:00:00",""
"4517304","12.2879","0.0006","12.5324","0.0007","25.74","0.0014","90","","101.171","0.001","90","","3888.8","0.4","120","2","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H49.88 B Cl3 F4 N2 Pd -","- C38 H49.886 B Cl3 F4 N2 Pd -","- C152 H199.544 B4 Cl12 F16 N8 Pd4 -","4","1","","Bermesheva, Evgeniya V.; Wozniak, Alyona I.; Andreyanov, Fedor A.; Karpov, Gleb O.; Nechaev, Mikhail S.; Asachenko, Andrey F.; Topchiy, Maxim A.; Melnikova, Elizaveta K.; Nelyubina, Yulia V.; Gribanov, Pavel S.; Bermeshev, Maxim V.","Polymerization of 5-Alkylidene-2-norbornenes with Highly Active Pd‒N-Heterocyclic Carbene Complex Catalysts: Catalyst Structure‒Activity Relationships","ACS Catalysis","2020","","","1663","1678","10.1021/acscatal.9b04686","","","0.71073","MoKα","","0.1039","0.0843","","","0.1769","0.1854","","","","","","1.105","","","","has coordinates,has disorder","257043","2020-10-21","18:00:00",""
"4517305","12.7466","0.0011","13.1407","0.0011","21.5974","0.0019","77.667","0.002","83.865","0.002","74.979","0.002","3408.2","0.5","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H63 B F24 N2 Pd -","- C70 H63 B F24 N2 Pd -","- C140 H126 B2 F48 N4 Pd2 -","2","1","","Bermesheva, Evgeniya V.; Wozniak, Alyona I.; Andreyanov, Fedor A.; Karpov, Gleb O.; Nechaev, Mikhail S.; Asachenko, Andrey F.; Topchiy, Maxim A.; Melnikova, Elizaveta K.; Nelyubina, Yulia V.; Gribanov, Pavel S.; Bermeshev, Maxim V.","Polymerization of 5-Alkylidene-2-norbornenes with Highly Active Pd‒N-Heterocyclic Carbene Complex Catalysts: Catalyst Structure‒Activity Relationships","ACS Catalysis","2020","","","1663","1678","10.1021/acscatal.9b04686","","","0.71073","MoKα","","0.1379","0.0788","","","0.1746","0.2071","","","","","","1.011","","","","has coordinates,has disorder","257043","2020-10-21","18:00:00",""
"4517306","23.6621","0.0003","23.6621","0.0003","7.5296","0.0002","90","","90","","120","","3650.98","0.12","99.9","0.5","99.9","0.5","","","","","","","","6","P 63/m","-P 6c","176","","","","- C22 H33 N3 O4 S Si -","- C22 H33 N3 O4 S Si -","- C132 H198 N18 O24 S6 Si6 -","6","0.5","","Prybil, Joshua W.; Wallace, Rodney; Warren, Alexandra; Klingman, Jordan; Vaillant, Romane; Hall, Michael B.; Yang, Xin; Brennessel, William W.; Chin, Robert M.","Silylation of Pyridine, Picolines, and Quinoline with a Zinc Catalyst","ACS Omega","2020","5","3","1528","1539","10.1021/acsomega.9b03317","","x-ray","1.54184","CuKα","","0.1383","0.1365","","","0.3691","0.3702","","","","","","1.184","","","","has coordinates,has disorder","257079","2020-10-21","18:00:00",""
"4517307","11.0617","0.0002","24.4886","0.0005","17.3459","0.0004","90","","122.08","0.002","90","","3981.29","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H50 B2 N4 P2 Ti -","- C41 H50 B2 N4 P2 Ti -","- C164 H200 B8 N16 P8 Ti4 -","4","1","","Bhattacharjee, Jayeeta; Harinath, Adimulam; Bano, Kulsum; Panda, Tarun K.","Highly Chemoselective Hydroboration of Alkynes and Nitriles Catalyzed by Group 4 Metal Amidophosphine‒Borane Complexes","ACS Omega","2020","5","3","1595","1606","10.1021/acsomega.9b03598","","","1.54184","CuKα","","0.0535","0.0482","","","0.1342","0.1401","","","","","","1.066","","","","has coordinates","257080","2020-10-21","18:00:00",""
"4517308","10.8835","0.001","13.0462","0.0014","26.353","0.002","95.711","0.008","101.515","0.007","101.049","0.008","3561.4","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H40 B2 Cl0 N2 P2 Zr -","- C40 H40 B2 N2 P2 Zr -","- C160 H160 B8 N8 P8 Zr4 -","4","2","","Bhattacharjee, Jayeeta; Harinath, Adimulam; Bano, Kulsum; Panda, Tarun K.","Highly Chemoselective Hydroboration of Alkynes and Nitriles Catalyzed by Group 4 Metal Amidophosphine‒Borane Complexes","ACS Omega","2020","5","3","1595","1606","10.1021/acsomega.9b03598","","","1.54184","CuKα","","0.0399","0.0341","","","0.0849","0.089","","","","","","1.027","","","","has coordinates","257080","2020-10-21","18:00:00",""
"4517309","12.6729","0.0002","21.3485","0.0003","23.3993","0.0005","90","","96.078","0.002","90","","6295.03","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H60 B4 N4 P4 Zr -","- C60 H60 B4 N4 P4 Zr -","- C240 H240 B16 N16 P16 Zr4 -","4","1","","Bhattacharjee, Jayeeta; Harinath, Adimulam; Bano, Kulsum; Panda, Tarun K.","Highly Chemoselective Hydroboration of Alkynes and Nitriles Catalyzed by Group 4 Metal Amidophosphine‒Borane Complexes","ACS Omega","2020","5","3","1595","1606","10.1021/acsomega.9b03598","","","1.54184","CuKα","","0.1165","0.0924","","","0.2751","0.3015","","","","","","1.261","","","","has coordinates","257080","2020-10-21","18:00:00",""
"4517310","9.2067","0.001","5.9745","0.0007","24.769","0.003","90","","91.977","0.007","90","","1361.6","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 -","- C18 H20 N2 -","- C72 H80 N8 -","4","1","","Padhi, Birakishore; Kang, Geunhee; Kim, Eunmin; Ha, Jeongmin; Kim, Hyun Tae; Lim, Jeewoo; Joo, Jung Min","Pd-Catalyzed C‒H Annulation of Five-Membered Heteroaryl Halides with Norbornene Derivatives","ACS Catalysis","2020","","","1792","1798","10.1021/acscatal.9b05177","","","0.71073","MoKα","","0.0773","0.0608","","","0.1601","0.17","","","","","","1.065","","","","has coordinates","257060","2020-10-21","18:00:00",""
"4517311","8.6336","0.0002","28.9267","0.0006","8.0359","0.0002","90","","107.081","0.003","90","","1918.37","0.08","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H15 N O3 S -","- C25 H15 N O3 S -","- C100 H60 N4 O12 S4 -","4","1","","Mu, Yingxiao; Xu, Bingjia; Yang, Zhan; Wen, Hanhui; Yang, Zhiyong; Mane, Sunil Kumar Baburao; Zhao, Juan; Zhang, Yi; Chi, Zhenguo; Tang, Ben Zhong","Reversible and Continuous Color-Tunable Persistent Luminescence of Metal-Free Organic Materials by ""Self""-Interface Energy Transfer.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b19919","","","1.54178","CuKα","","0.0407","0.0364","","","0.0947","0.0986","","","","","","1.042","","","","has coordinates","246824","2020-10-21","18:00:00",""
"4517312","8.5934","0.0002","28.5006","0.0006","8.00518","0.00017","90","","106.664","0.003","90","","1878.27","0.08","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H60 N4 O12 S4 -","- C100 H60 N4 O12 S4 -","- C100 H60 N4 O12 S4 -","1","0.25","","Mu, Yingxiao; Xu, Bingjia; Yang, Zhan; Wen, Hanhui; Yang, Zhiyong; Mane, Sunil Kumar Baburao; Zhao, Juan; Zhang, Yi; Chi, Zhenguo; Tang, Ben Zhong","Reversible and Continuous Color-Tunable Persistent Luminescence of Metal-Free Organic Materials by ""Self""-Interface Energy Transfer.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b19919","","x-ray","1.54184","CuKα","","0.052","0.0458","","","0.1221","0.1309","","","","","","1.06","","","","has coordinates","246824","2020-10-21","18:00:00",""
"4517313","11.2531","0.0005","19.4921","0.0006","19.6596","0.0003","96.865","0.002","95.807","0.002","92.809","0.003","4251.2","0.2","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C83 H76 F5 N4 O3 S4 -","- C83 H76 F5 N4 O3 S4 -","- C166 H152 F10 N8 O6 S8 -","2","1","","Feng, Shiyu; Li, Miao; Tang, Ningning; Wang, Xiaodong; Huang, Hao; Ran, Guangliu; Liu, Yahui; Xie, Zengqi; Zhang, Wenkai; Bo, Zhishan","Regulating the Packing of Non-Fullerene Acceptors via Multiple Noncovalent Interactions for Enhancing the Performance of Organic Solar Cells.","ACS applied materials & interfaces","2020","12","4","4638","4648","10.1021/acsami.9b18076","","x-ray","1.54184","CuKα","","0.1875","0.1338","","","0.3507","0.4018","","","","","","1.232","","","","has coordinates,has disorder","247518","2020-10-21","18:00:00",""
"4517314","12.6483","0.0005","12.9721","0.0006","14.7724","0.0004","105.314","0.003","99.476","0.003","116.269","0.004","1982.13","0.17","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C91.94 H103.54 F0.34 N4 O3.66 S4 -","- C91.948 H103.554 F0.342 N4 O3.658 S4 -","- C91.948 H103.554 F0.342 N4 O3.658 S4 -","1","0.5","","Feng, Shiyu; Li, Miao; Tang, Ningning; Wang, Xiaodong; Huang, Hao; Ran, Guangliu; Liu, Yahui; Xie, Zengqi; Zhang, Wenkai; Bo, Zhishan","Regulating the Packing of Non-Fullerene Acceptors via Multiple Noncovalent Interactions for Enhancing the Performance of Organic Solar Cells.","ACS applied materials & interfaces","2020","12","4","4638","4648","10.1021/acsami.9b18076","","x-ray","1.54184","CuKα","","0.14","0.1143","","","0.306","0.3341","","","","","","1.287","","","","has coordinates,has disorder","247518","2020-10-21","18:00:00",""
"4517315","11.302","0.007","11.408","0.007","6.494","0.004","90","","90","","90","","837.3","0.9","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- B10 Cl2 O18 Sr4 -","- B10 Cl2 O18 Sr4 -","- B20 Cl4 O36 Sr8 -","2","0.5","","Wang, Zujian; He, Jiangang; Hu, Bing; Shan, Pai; Xiong, Zheyao; Su, Rongbing; He, Chao; Yang, Xiaoming; Long, Xifa","Ca<sub>2</sub>B<sub>5</sub>O<sub>9</sub>Cl and Sr<sub>2</sub>B<sub>5</sub>O<sub>9</sub>Cl: Nonlinear Optical Crystals with Deep-Ultraviolet Transparency Windows.","ACS applied materials & interfaces","2020","12","4","4632","4637","10.1021/acsami.9b21072","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","247519","2020-10-21","18:00:00",""
"4517316","11.1369","0.0006","11.2626","0.0005","6.2995","0.0003","90","","90","","90","","790.15","0.07","101.3","0.3","101.3","0.3","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- B10 Ca4 Cl2 O18 -","- B10 Ca4 Cl2 O18 -","- B20 Ca8 Cl4 O36 -","2","0.5","","Wang, Zujian; He, Jiangang; Hu, Bing; Shan, Pai; Xiong, Zheyao; Su, Rongbing; He, Chao; Yang, Xiaoming; Long, Xifa","Ca<sub>2</sub>B<sub>5</sub>O<sub>9</sub>Cl and Sr<sub>2</sub>B<sub>5</sub>O<sub>9</sub>Cl: Nonlinear Optical Crystals with Deep-Ultraviolet Transparency Windows.","ACS applied materials & interfaces","2020","12","4","4632","4637","10.1021/acsami.9b21072","","","0.71073","MoKα","","0.0327","0.0309","","","0.0633","0.0642","","","","","","1.056","","","","has coordinates","247519","2020-10-21","18:00:00",""
"4517318","16.0799","0.0018","18.649","0.002","19.39","0.002","102.207","0.003","114.118","0.003","93.054","0.003","5123","1","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H94 O26 S8 Zn3 -","- C96 H58 O20 S8 Zn3 -","- C192 H116 O40 S16 Zn6 -","2","1","","Gordillo, Monica A.; Benavides, Paola A.; Panda, Dillip K.; Saha, Sourav","The Advent of Electrically Conducting Double-Helical Metal-Organic Frameworks Featuring Butterfly-Shaped Electron-Rich π-Extended Tetrathiafulvalene Ligands.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b20234","","","0.71073","MoKα","","0.1425","0.1046","","","0.2607","0.2887","","","","","","1.042","","","","has coordinates,has disorder","246970","2020-10-21","18:00:00",""
"4517319","11.5972","0.0005","9.6059","0.0004","13.0289","0.0005","90","","107.205","0.004","90","","1386.49","0.1","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O -","- C18 H18 O -","- C72 H72 O4 -","4","1","","Jiang, Cheng; Lu, Hong; Xu, Wen-Hua; Wu, Jianing; Yu, Tian-Yang; Xu, Peng-Fei; Wei, Hao","Ni-Catalyzed 1,2-Acyl Migration Reactions Triggered by C‒C Bond Activation of Ketones","ACS Catalysis","2020","","","1947","1953","10.1021/acscatal.9b04112","","x-ray","1.54184","CuKα","","0.0628","0.0534","","","0.1404","0.16","","","","","","1.078","","","","has coordinates","257042","2020-10-21","18:00:00",""
"4517320","11.3444","0.0002","16.6403","0.0003","10.0554","0.0002","90","","103.695","0.002","90","","1844.23","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C88 H84 N4 O12 -","4","1","","Jiang, Cheng; Lu, Hong; Xu, Wen-Hua; Wu, Jianing; Yu, Tian-Yang; Xu, Peng-Fei; Wei, Hao","Ni-Catalyzed 1,2-Acyl Migration Reactions Triggered by C‒C Bond Activation of Ketones","ACS Catalysis","2020","","","1947","1953","10.1021/acscatal.9b04112","","x-ray","1.54184","CuKα","","0.0529","0.0468","","","0.1209","0.1286","","","","","","1.061","","","","has coordinates,has disorder","257042","2020-10-21","18:00:00",""
"4517321","11.6212","0.0001","13.0997","0.0002","25.0298","0.0003","90","","97.156","0.001","90","","3780.71","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H35 Mn2 N3 O11 -","- C38 H35 Mn2 N3 O11 -","- C152 H140 Mn8 N12 O44 -","4","1","","Sun, Fang-Zhou; Yang, Shan-Qing; Krishna, Rajamani; Zhang, Ying-Hui; Xia, Yu-Pei; Hu, Tong-Liang","Microporous Metal-Organic Framework with a Completely Reversed Adsorption Relationship for C<sub>2</sub> Hydrocarbons at Room Temperature.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b22410","","x-ray","1.54184","CuKα","","0.0503","0.0461","","","0.1277","0.1305","","","","","","1.055","","","","has coordinates","247192","2020-10-21","18:00:00",""
"4517322","12.5702","0.0005","16.2085","0.0007","33.5599","0.0014","90","","90","","90","","6837.6","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,4-bis(morpholinopropyl)-5,7-diphenyl-1,2,3,4-tetrahyro-6H-cyclopenta[b] pyrazin-6-one iron tricarbonyl","","- C36 H42 Fe N4 O6 -","- C36 H42 Fe N4 O6 -","- C288 H336 Fe8 N32 O48 -","8","1","","Coufourier, Sébastien; Gaignard Gaillard, Quentin; Lohier, Jean-François; Poater, Albert; Gaillard, Sylvain; Renaud, Jean-Luc","Hydrogenation of CO2, Hydrogenocarbonate, and Carbonate to Formate in Water using Phosphine Free Bifunctional Iron Complexes","ACS Catalysis","2020","","","2108","2116","10.1021/acscatal.9b04340","","","0.71073","MoKα","","0.0706","0.0419","","","0.0848","0.0957","","","","","","1.046","","","","has coordinates,has disorder","257012","2020-10-21","18:00:00",""
"4517323","12.3781","0.0008","16.2241","0.001","31.858","0.002","90","","90","","90","","6397.8","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,4-bis(morpholinoethyl)-5,7-diphenyl-1,2,3,4-tetrahyro-6H-cyclopenta[b] pyrazin-6-one iron tricarbonyl","","- C34 H38.5 Fe N4 O6.25 -","- C34 H38.5 Fe N4 O6.25 -","- C272 H308 Fe8 N32 O50 -","8","1","","Coufourier, Sébastien; Gaignard Gaillard, Quentin; Lohier, Jean-François; Poater, Albert; Gaillard, Sylvain; Renaud, Jean-Luc","Hydrogenation of CO2, Hydrogenocarbonate, and Carbonate to Formate in Water using Phosphine Free Bifunctional Iron Complexes","ACS Catalysis","2020","","","2108","2116","10.1021/acscatal.9b04340","","","0.71073","MoKα","","0.0524","0.0368","","","0.0857","0.0944","","","","","","1.016","","","","has coordinates,has disorder","257012","2020-10-21","18:00:00",""
"4517324","15.3766","0.0003","15.3766","0.0003","15.4761","0.0005","90","","90","","90","","3659.17","0.16","180.01","0.1","180.01","0.1","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C43 H10 F20 N4 Ni O2 -","- C43 H10 F20 N4 Ni O2 -","- C172 H40 F80 N16 Ni4 O8 -","4","0.25","","Wu, Zhuo-Yan; Xue, Haozong; Wang, Teng; Guo, Yanru; Meng, Yin-Shan; Li, Xingguo; Zheng, Jie; Brückner, Christian; Rao, Guodong; Britt, R. David; Zhang, Jun-Long","Mimicking of Tunichlorin: Deciphering the Importance of a β-Hydroxyl Substituent on Boosting the Hydrogen Evolution Reaction","ACS Catalysis","2020","","","2177","2188","10.1021/acscatal.9b03985","","","0.71073","MoKα","","0.0476","0.041","","","0.1058","0.1149","","","","","","1.096","","","","has coordinates,has disorder","257026","2020-10-21","18:00:00",""
"4517325","15.4016","0.0001","15.4016","0.0001","15.4334","0.0004","90","","90","","90","","3660.95","0.1","180.1","0.2","180.1","0.2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C43 H8 F20 N4 Ni O2 -","- C43 H8 F20 N4 Ni O2 -","- C172 H32 F80 N16 Ni4 O8 -","4","0.25","","Wu, Zhuo-Yan; Xue, Haozong; Wang, Teng; Guo, Yanru; Meng, Yin-Shan; Li, Xingguo; Zheng, Jie; Brückner, Christian; Rao, Guodong; Britt, R. David; Zhang, Jun-Long","Mimicking of Tunichlorin: Deciphering the Importance of a β-Hydroxyl Substituent on Boosting the Hydrogen Evolution Reaction","ACS Catalysis","2020","","","2177","2188","10.1021/acscatal.9b03985","","","0.71073","MoKα","","0.0313","0.0305","","","0.0865","0.0875","","","","","","1.043","","","","has coordinates,has disorder","257026","2020-10-21","18:00:00",""
"4517326","8.379","0.0007","9.2459","0.0008","12.5657","0.001","80.0558","0.0019","75.674","0.002","72.1841","0.0017","893","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H18 Br2 N2 Ni O S -","- C16 H18 Br2 N2 Ni O S -","- C32 H36 Br4 N4 Ni2 O2 S2 -","2","1","","Yanagi, Tomoyuki; Somerville, Rosie J.; Nogi, Keisuke; Martin, Ruben; Yorimitsu, Hideki","Ni-Catalyzed Carboxylation of C(sp2)‒S Bonds with CO2: Evidence for the Multifaceted Role of Zn","ACS Catalysis","2020","","","2117","2123","10.1021/acscatal.9b05141","","","0.71073","MoKα","","0.0323","0.0238","","","0.0537","0.0562","","","","","","1.056","","","","has coordinates","257027","2020-10-21","18:00:00",""
"4517327","12.3683","0.0006","11.2848","0.0005","32.6128","0.0013","90","","90","","90","","4551.9","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H24 Br N4 Ni -","- C28 H24 Br N4 Ni -","- C224 H192 Br8 N32 Ni8 -","8","1","","Yanagi, Tomoyuki; Somerville, Rosie J.; Nogi, Keisuke; Martin, Ruben; Yorimitsu, Hideki","Ni-Catalyzed Carboxylation of C(sp2)‒S Bonds with CO2: Evidence for the Multifaceted Role of Zn","ACS Catalysis","2020","","","2117","2123","10.1021/acscatal.9b05141","","","0.71075","MoKα","","0.1232","0.0617","","","0.1337","0.1561","","","","","","1.068","","","","has coordinates","257027","2020-10-21","18:00:00",""
"4517328","18.1357","0.0003","18.1424","0.0004","17.9779","0.0004","90","","90.1029","0.0015","90","","5915.2","0.2","150.01","0.12","150.01","0.12","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C57 H60 B F24 P2 Rh -","- C57 H60 B F24 P2 Rh -","- C228 H240 B4 F96 P8 Rh4 -","4","1","","Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S.","Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization","ACS Catalysis","2020","","","1984","1992","10.1021/acscatal.9b03727","","x-ray","1.54184","CuKα","","0.0273","0.0269","","","0.0706","0.0711","","","","","","1.049","","","","has coordinates,has disorder","257028","2020-10-21","18:00:00",""
"4517329","35.55","0.0005","17.7103","0.0002","18.7565","0.0003","90","","90","","90","","11809.1","0.3","150.01","0.1","150.01","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C56 H56 B F26 P2 Rh -","- C56 H56 B F26 P2 Rh -","- C448 H448 B8 F208 P16 Rh8 -","8","1","","Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S.","Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization","ACS Catalysis","2020","","","1984","1992","10.1021/acscatal.9b03727","","x-ray","1.54184","CuKα","","0.1167","0.1069","","","0.278","0.2856","","","","","","1.032","","","","has coordinates,has disorder","257028","2020-10-21","18:00:00",""
"4517330","13.8945","0.0002","17.8193","0.0002","23.5243","0.0004","90","","96.457","0.001","90","","5787.44","0.14","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H60 B F24 P2 Rh -","- C54 H60 B F24 P2 Rh -","- C216 H240 B4 F96 P8 Rh4 -","4","1","","Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S.","Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization","ACS Catalysis","2020","","","1984","1992","10.1021/acscatal.9b03727","","x-ray","1.54184","CuKα","","0.055","0.041","","","0.104","0.1133","","","","","","1.025","","","","has coordinates,has disorder","257028","2020-10-21","18:00:00",""
"4517331","17.59335","0.00007","18.77356","0.0001","35.33268","0.00014","90","","91.6093","0.0004","90","","11665.4","0.09","150.02","0.18","150.02","0.18","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C54 H58 B F24 P2 Rh -","- C54 H58 B F24 P2 Rh -","- C432 H464 B8 F192 P16 Rh8 -","8","2","","Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S.","Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization","ACS Catalysis","2020","","","1984","1992","10.1021/acscatal.9b03727","","x-ray","1.54184","CuKα","","0.038","0.0332","","","0.0839","0.0874","","","","","","1.017","","","","has coordinates,has disorder","257028","2020-10-21","18:00:00",""
"4517332","24.0564","0.0002","18.6694","0.0002","12.3508","0.0001","90","","90","","90","","5546.97","0.09","150","0.13","150","0.13","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C101 H106 B2 Cl2 F48 P4 Rh2 -","- C101 H106 B2 Cl2 F48 P4 Rh2 -","- C202 H212 B4 Cl4 F96 P8 Rh4 -","2","0.5","","Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S.","Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization","ACS Catalysis","2020","","","1984","1992","10.1021/acscatal.9b03727","","x-ray","1.54184","CuKα","","0.0477","0.0441","","","0.11","0.113","","","","","","1.03","","","","has coordinates,has disorder","257028","2020-10-21","18:00:00",""
"4517333","13.4962","0.0005","15.0316","0.0004","15.0479","0.0003","86.52","0.002","82.231","0.002","64.562","0.003","2731.48","0.15","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H53.94 B F24 P2 Rh -","- C50 H53.9326 B F24 P2 Rh -","- C100 H107.865 B2 F48 P4 Rh2 -","2","1","","Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S.","Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization","ACS Catalysis","2020","","","1984","1992","10.1021/acscatal.9b03727","","x-ray","1.54184","CuKα","","0.0462","0.0413","","","0.1051","0.1094","","","","","","1.02","","","","has coordinates,has disorder","257028","2020-10-21","18:00:00",""
"4517334","12.0444","0.0006","14.0441","0.0006","25.7109","0.0008","93.9","0.003","97.182","0.004","92.677","0.004","4298.3","0.3","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C44 H71 Cl F2 O P2 Pd -","- C44 H71 Cl F2 O P2 Pd -","- C176 H284 Cl4 F8 O4 P8 Pd4 -","4","2","","Reina, Antonio; Krachko, Tetiana; Onida, Killian; Bouyssi, Didier; Jeanneau, Erwann; Monteiro, Nuno; Amgoune, Abderrahmane","Development and Mechanistic Investigations of a Base-Free Suzuki‒Miyaura Cross-Coupling of α,α-Difluoroacetamides via C‒N Bond Cleavage","ACS Catalysis","2020","","","2189","2197","10.1021/acscatal.9b05159","","x-ray","0.71073","MoKα","","0.1141","0.0716","","","0.1742","0.2236","","","","","","1.158","","","","has coordinates","257035","2020-10-21","18:00:00",""
"4517335","13.4397","0.001","18.3716","0.0012","21.7868","0.0013","81.169","0.005","89.195","0.006","73.803","0.007","5102.3","0.6","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C53 H76.5 F4 N0.5 O3 P2 Pd -","- C53 H76.5 F4 N0.5 O3 P2 Pd -","- C212 H306 F16 N2 O12 P8 Pd4 -","4","2","","Reina, Antonio; Krachko, Tetiana; Onida, Killian; Bouyssi, Didier; Jeanneau, Erwann; Monteiro, Nuno; Amgoune, Abderrahmane","Development and Mechanistic Investigations of a Base-Free Suzuki‒Miyaura Cross-Coupling of α,α-Difluoroacetamides via C‒N Bond Cleavage","ACS Catalysis","2020","","","2189","2197","10.1021/acscatal.9b05159","","x-ray","0.71073","MoKα","","0.1513","0.0762","","","0.1712","0.2339","","","","","","1.061","","","","has coordinates,has disorder","257035","2020-10-21","18:00:00",""
"4517336","9.8179","0.0001","14.1041","0.0001","20.6209","0.0002","90","","99.978","0.001","90","","2812.24","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H39 Ag F9 O P -","- C28 H39 Ag F9 O P -","- C112 H156 Ag4 F36 O4 P4 -","4","1","","Panigrahi, Adyasha; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor","Ag/Pd Cocatalyzed Direct Arylation of Fluoroarene Derivatives with Aryl Bromides","ACS Catalysis","2020","","","2100","2107","10.1021/acscatal.9b05334","","x-ray","1.54184","CuKα","","0.0291","0.029","","","0.0727","0.0727","","","","","","1.091","","","","has coordinates,has disorder","257038","2020-10-21","18:00:00",""
"4517337","27.5364","0.0005","15.9525","0.0002","25.9141","0.0005","90","","112.975","0.002","90","","10480.4","0.3","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H172 Ag4 Br4 Cl6 P4 -","- C98 H158 Ag4 Br4 Cl6 P4 -","- C392 H632 Ag16 Br16 Cl24 P16 -","4","0.5","","Panigrahi, Adyasha; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor","Ag/Pd Cocatalyzed Direct Arylation of Fluoroarene Derivatives with Aryl Bromides","ACS Catalysis","2020","","","2100","2107","10.1021/acscatal.9b05334","","x-ray","1.54184","CuKα","","0.0374","0.0332","","","0.084","0.0859","","","","","","1.055","","","","has coordinates","257038","2020-10-21","18:00:00",""
"4517338","9.051","0.006","12.257","0.005","23.016","0.004","99.247","0.003","100.894","0.002","94.83","0.004","2457","2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","Keinan162b (Ofer)","","","- C53 H54 Cl2 N2 O3 P Ru -","- C53 H54 Cl2 N2 O3 P Ru -","- C106 H108 Cl4 N4 O6 P2 Ru2 -","2","1","","Eivgi, Or; Vaisman, Anna; Nechmad, Noy B.; Baranov, Mark; Lemcoff, N. Gabriel","Latent Ruthenium Benzylidene Phosphite Complexes for Visible-Light-Induced Olefin Metathesis","ACS Catalysis","2020","","","2033","2038","10.1021/acscatal.9b05079","","","0.71073","MoKα","","0.1804","0.0796","","","0.1629","0.2122","","","","","","0.908","","","","has coordinates","257052","2020-10-21","18:00:00",""
"4517339","14.3812","0.0002","16.1503","0.0002","26.0144","0.0003","90","","100.411","0.001","90","","5942.65","0.13","200","50","200","50","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H62 Cl2 N5 O9 P Ru -","- C61 H62 Cl2 N5 O9 P Ru -","- C244 H248 Cl8 N20 O36 P4 Ru4 -","4","1","","Eivgi, Or; Vaisman, Anna; Nechmad, Noy B.; Baranov, Mark; Lemcoff, N. Gabriel","Latent Ruthenium Benzylidene Phosphite Complexes for Visible-Light-Induced Olefin Metathesis","ACS Catalysis","2020","","","2033","2038","10.1021/acscatal.9b05079","","x-ray","1.54184","CuKα","","0.0452","0.0412","","","0.1144","0.1177","","","","","","1.078","","","","has coordinates,has disorder","257052","2020-10-21","18:00:00",""
"4517340","5.7494","0.0006","9.6543","0.001","10.4417","0.0011","100.704","0.002","91.306","0.002","94.062","0.002","567.68","0.1","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H22 N O7 P -","- C25 H22 N O7 P -","- C25 H22 N O7 P -","1","1","","Trost, Barry M.; Shinde, Anand H.; Wang, Youliang; Zuo, Zhijun; Min, Chang","Palladium-Catalyzed Regio-, Enantio-, and Diastereoselective Asymmetric [3 + 2] Cycloaddition Reactions: Synthesis of Chiral Cyclopentyl Phosphonates","ACS Catalysis","2020","","","1969","1975","10.1021/acscatal.9b05073","","","1.54178","CuKα","","0.0772","0.0649","","","0.1898","0.2359","","","","","","1.221","","","","has coordinates","257053","2020-10-21","18:00:00",""
"4517341","7.7692","0.0007","10.2212","0.001","11.985","0.0014","88.69","0.007","79.375","0.009","70.875","0.008","883.07","0.16","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H12 Cl Cu N3 O5 -","- C19 H12 Cl Cu N3 O5 -","- C38 H24 Cl2 Cu2 N6 O10 -","2","1","","Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier","Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.9b00202","","","0.71073","MoKα","","0.0559","0.0465","","","0.1151","0.123","","","","","","1.093","","","","has coordinates","247207","2020-10-21","18:00:00",""
"4517342","9.501","0.0006","12.0141","0.0007","16.0425","0.0009","90","","104.212","0.002","90","","1775.14","0.18","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Br Cl Cu N3 O5 -","- C17 H11 Br Cl Cu N3 O5 -","- C68 H44 Br4 Cl4 Cu4 N12 O20 -","4","1","","Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier","Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.9b00202","","","0.71073","MoKα","","0.0651","0.0447","","","0.0909","0.0995","","","","","","1.051","","","","has coordinates,has disorder","247208","2020-10-21","18:00:00",""
"4517343","9.0204","0.0003","12.282","0.0004","16.5426","0.0006","90","","103.404","0.003","90","","1782.81","0.11","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Cl2 Cu N3 O5 -","- C17 H11 Cl2 Cu N3 O5 -","- C68 H44 Cl8 Cu4 N12 O20 -","4","1","","Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier","Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.9b00202","","x-ray","1.54184","CuKα","","0.0782","0.0744","","","0.1689","0.171","","","","","","1.188","","","","has coordinates,has disorder","247209","2020-10-21","18:00:00",""
"4517344","9.4571","0.0003","12.0889","0.0003","16.1386","0.0005","90","","104.155","0.003","90","","1789.04","0.09","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Br2 Cu N3 O5 -","- C17 H11 Br2 Cu N3 O5 -","- C68 H44 Br8 Cu4 N12 O20 -","4","1","","Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier","Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.9b00202","","x-ray","1.54184","CuKα","","0.0504","0.0482","","","0.1405","0.1428","","","","","","1.082","","","","has coordinates,has disorder","247211","2020-10-21","18:00:00",""
"4517345","11.1024","0.0006","9.8747","0.0005","16.2535","0.001","90","","105.997","0.006","90","","1712.92","0.17","140","0.1","140","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cl2 Cu2 N6 O10 -","- C34 H24 Cl2 Cu2 N6 O10 -","- C68 H48 Cl4 Cu4 N12 O20 -","2","0.5","","Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier","Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.9b00202","","x-ray","1.54184","CuKα","","0.0579","0.0513","","","0.135","0.1425","","","","","","1.05","","","","has coordinates","247212","2020-10-21","18:00:00",""
"4517346","8.3749","0.0004","9.8223","0.0005","10.502","0.0005","97.603","0.002","112.314","0.002","96.478","0.002","779.56","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 Cu N3 O5 -","- C17 H13 Cu N3 O5 -","- C34 H26 Cu2 N6 O10 -","2","1","","Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier","Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.9b00202","","","0.71073","MoKα","","0.0428","0.0319","","","0.0685","0.0735","","","","","","1.046","","","","has coordinates","247213","2020-10-21","18:00:00",""
"4517347","11.2956","0.0007","9.8232","0.0006","16.4469","0.0011","90","","105.989","0.003","90","","1754.33","0.19","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Br Cu N3 O5 -","- C17 H12 Br Cu N3 O5 -","- C68 H48 Br4 Cu4 N12 O20 -","4","1","","Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier","Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.9b00202","","","0.71073","MoKα","","0.0674","0.0435","","","0.0991","0.1145","","","","","","1.056","","","","has coordinates","247214","2020-10-21","18:00:00",""
"4517348","8.8193","0.0002","8.9176","0.0002","11.4613","0.0002","94.706","0.002","111.477","0.002","95.805","0.002","827.58","0.03","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 Cu N3 O5 -","- C19 H13 Cu N3 O5 -","- C38 H26 Cu2 N6 O10 -","2","1","","Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier","Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.9b00202","","x-ray","1.54184","CuKα","","0.0266","0.0255","","","0.0678","0.0687","","","","","","1.061","","","","has coordinates","247215","2020-10-21","18:00:00",""
"4517349","10.8307","0.0009","13.7904","0.0012","15.3733","0.0013","107.399","0.001","96.927","0.001","108.983","0.001","2010.6","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H106 F12 P2 Ru2 S12 -","- C70 H106 F12 P2 Ru2 S12 -","- C70 H106 F12 P2 Ru2 S12 -","1","0.5","","Fan, Rong; Sumitani, Ryo; Mochida, Tomoyuki","Synthesis and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes","ACS Omega","2020","","","","","10.1021/acsomega.9b04272","","","0.71073","MoKα","","0.047","0.0421","","","0.1108","0.1168","","","","","","1.067","","","","has coordinates,has disorder","247216","2020-10-21","18:00:00",""
"4517350","8.0817","0.0012","9.6637","0.0014","23.803","0.003","90","","99.684","0.002","90","","1832.5","0.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 F6 P Ru S3 -","- C14 H17 F6 P Ru S3 -","- C56 H68 F24 P4 Ru4 S12 -","4","1","","Fan, Rong; Sumitani, Ryo; Mochida, Tomoyuki","Synthesis and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes","ACS Omega","2020","","","","","10.1021/acsomega.9b04272","","","0.71073","MoKα","","0.0264","0.0257","","","0.0645","0.0649","","","","","","1.043","","","","has coordinates","247217","2020-10-21","18:00:00",""
"4517351","8.2478","0.0008","16.2374","0.0015","15.405","0.0015","90","","99.669","0.001","90","","2033.8","0.3","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","trismesk","","","- C32 H40 F12 N2 P2 Ru2 S6 -","- C32 H40 F12 N2 P2 Ru2 S6 -","- C64 H80 F24 N4 P4 Ru4 S12 -","2","0.5","","Fan, Rong; Sumitani, Ryo; Mochida, Tomoyuki","Synthesis and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes","ACS Omega","2020","","","","","10.1021/acsomega.9b04272","","","0.71073","MoKα","","0.0251","0.0225","","","0.0583","0.06","","","","","","1.075","","","","has coordinates","247218","2020-10-21","18:00:00",""
"4517352","21.314","0.003","14.4802","0.0019","17.724","0.002","90","","91.531","0.002","90","","5468.2","1.2","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","RuSC3Vert","","","- C44 H64 F12 N2 P2 Ru2 S6 -","- C44 H64 F12 N2 P2 Ru2 S6 -","- C176 H256 F48 N8 P8 Ru8 S24 -","4","1","","Fan, Rong; Sumitani, Ryo; Mochida, Tomoyuki","Synthesis and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes","ACS Omega","2020","","","","","10.1021/acsomega.9b04272","","","0.71073","MoKα","","0.0698","0.0509","","","0.1193","0.131","","","","","","1.032","","","","has coordinates,has disorder","247219","2020-10-21","18:00:00",""
"4517353","21.815","0.002","40.483","0.004","10.9637","0.0011","90","","90","","90","","9682.4","1.6","90","2","90","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C20 H29 F6 P Ru S3 -","- C20 H29 F6 P Ru S3 -","- C320 H464 F96 P16 Ru16 S48 -","16","4","","Fan, Rong; Sumitani, Ryo; Mochida, Tomoyuki","Synthesis and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes","ACS Omega","2020","","","","","10.1021/acsomega.9b04272","","","0.71073","MoKα","","0.0227","0.0217","","","0.0543","0.0549","","","","","","1.037","","","","has coordinates","247220","2020-10-21","18:00:00",""
"4517354","5.4824","0.0002","9.0496","0.0003","21.3585","0.0008","90","","93.8688","0.0005","90","","1057.26","0.07","123","0.1","123","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 Pb Se2 -","- C22 H20 N2 Pb Se2 -","- C44 H40 N4 Pb2 Se4 -","2","1","","Vartak, Prathamesh B.; Wang, Zhongyong; Groy, Thomas L.; Trovitch, Ryan J.; Wang, Robert Y.","Solution and Solid-State Characterization of PbSe Precursors","ACS Omega","2020","","","","","10.1021/acsomega.9b03715","","","0.71073","MoKα","","0.0257","0.0245","","","0.0585","0.0592","","","","","","1.032","","","","has coordinates,has disorder","247221","2020-10-21","18:00:00",""
"4517355","18.8828","0.0003","5.7569","0.0001","9.3054","0.0001","90","","101.737","0.002","90","","990.41","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","","Bera, Santu; Xue, Bin; Rehak, Pavel; Jacoby, Guy; Ji, Wei; Shimon, Linda J. W.; Beck, Roy; Král, Petr; Cao, Yi; Gazit, Ehud","Self-Assembly of Aromatic Amino Acid Enantiomers into Supramolecular Materials of High Rigidity.","ACS nano","2020","","","","","10.1021/acsnano.9b07307","","","1.54184","CuKα","","0.041","0.0393","","","0.0969","0.0979","","","","","","1.042","","","","has coordinates","247222","2020-10-21","18:00:00",""
"4517356","8.7941","0.0002","6.0013","0.0001","31.0223","0.0007","90","","97.019","0.002","90","","1624.96","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","2","","Bera, Santu; Xue, Bin; Rehak, Pavel; Jacoby, Guy; Ji, Wei; Shimon, Linda J. W.; Beck, Roy; Král, Petr; Cao, Yi; Gazit, Ehud","Self-Assembly of Aromatic Amino Acid Enantiomers into Supramolecular Materials of High Rigidity.","ACS nano","2020","","","","","10.1021/acsnano.9b07307","","","1.54184","CuKα","","0.0901","0.0888","","","0.2655","0.2664","","","","","","1.104","","","","has coordinates","247223","2020-10-21","18:00:00",""
"4517358","26.885","0.005","26.637","0.005","12.468","0.003","90","","116.42","0.03","90","","7996","4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C117 H119 Cu9 N23 O47 -","- C88 H32 Cu9 N12 O42 -","- C176 H64 Cu18 N24 O84 -","2","0.25","","Meng, Lingkun; Yang, Lixia; Chen, Cailing; Dong, Xinglong; Ren, Siyuan; Li, Guang Hua; Li, Yi; Han, Yu; Shi, Zhan; Feng, Shouhua","Selective Acetylene Adsorption within an Imino Functionalized Nanocage-Based Metal-Organic Framework.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b21938","","","0.71073","MoKα","","0.0828","0.0726","","","0.1956","0.2011","","","","","","1.043","","","","has coordinates,has disorder","247261","2020-10-21","18:00:00",""
"4517359","8.269","0.0002","9.9012","0.0002","13.5986","0.0002","90","","90","","90","","1113.36","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Cl N O2 -","- C12 H12 Cl N O2 -","- C48 H48 Cl4 N4 O8 -","4","1","","Ren, Xinkun; Chandgude, Ajay L.; Fasan, Rudi","Highly Stereoselective Synthesis of Fused Cyclopropane-γ-Lactams via Biocatalytic Iron-Catalyzed Intramolecular Cyclopropanation","ACS Catalysis","2020","","","2308","2313","10.1021/acscatal.9b05383","","x-ray","1.54184","CuKα","","0.0306","0.0296","","","0.0702","0.0721","","","","","","1.107","","","","has coordinates","257018","2020-10-21","18:00:00",""
"4517360","5.6803","0.0002","9.2798","0.0003","9.3092","0.0003","90","","90.739","0.003","90","","490.67","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O -","- C12 H13 N O -","- C24 H26 N2 O2 -","2","1","","Ren, Xinkun; Chandgude, Ajay L.; Fasan, Rudi","Highly Stereoselective Synthesis of Fused Cyclopropane-γ-Lactams via Biocatalytic Iron-Catalyzed Intramolecular Cyclopropanation","ACS Catalysis","2020","","","2308","2313","10.1021/acscatal.9b05383","","x-ray","1.54184","CuKα","","0.0482","0.0438","","","0.1144","0.1183","","","","","","1.057","","","","has coordinates","257018","2020-10-21","18:00:00",""
"4517361","9.1592","0.0018","11.449","0.002","27.96","0.006","90","","90","","90","","2932","1","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 I N O5 P -","- C30 H35 I N O5 P -","- C120 H140 I4 N4 O20 P4 -","4","1","","Yang, Guo-Hui; Zheng, Hanliang; Li, Xin; Cheng, Jin-Pei","Asymmetric Synthesis of Axially Chiral Phosphamides via Atroposelective N-Allylic Alkylation","ACS Catalysis","2020","","","2324","2333","10.1021/acscatal.9b05443","","","0.71073","MoKα","","0.0333","0.0293","","","0.0614","0.078","","","","","","1.057","","","","has coordinates","257046","2020-10-21","18:00:00",""
"4517362","6.9049","0.0006","17.9673","0.0013","10.1305","0.0007","90","","106.637","0.009","90","","1204.2","0.17","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N3 O5 -","- C27 H29 N3 O5 -","- C54 H58 N6 O10 -","2","1","","Chowdhury, Srayoshi Roy; Nandi, Sujay Kumar; Podder, Debasish; Haldar, Debasish","Conformational Heterogeneity and Self-Assembly of α,β,γ-Hybrid Peptides Containing Fenamic Acid: Multistimuli-Responsive Phase-Selective Gelation","ACS Omega","2020","","","","","10.1021/acsomega.9b03532","","x-ray","0.71073","MoKα","","0.0455","0.0423","","","0.1229","0.1275","","","","","","0.971","","","","has coordinates","247379","2020-10-21","18:00:00",""
"4517363","13.2844","0.0009","9.4272","0.0006","36.075","0.002","90","","93.302","0.004","90","","4510.3","0.5","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N3 O4 -","- C25 H25 N3 O4 -","- C200 H200 N24 O32 -","8","2","","Chowdhury, Srayoshi Roy; Nandi, Sujay Kumar; Podder, Debasish; Haldar, Debasish","Conformational Heterogeneity and Self-Assembly of α,β,γ-Hybrid Peptides Containing Fenamic Acid: Multistimuli-Responsive Phase-Selective Gelation","ACS Omega","2020","","","","","10.1021/acsomega.9b03532","","x-ray","1.54178","CuKα","","0.1735","0.1315","","","0.3302","0.3497","","","","","","1.1","","","","has coordinates","247380","2020-10-21","18:00:00",""
"4517364","6.9113","0.0003","18.1972","0.0008","10.137","0.0004","90","","105.648","0.005","90","","1227.64","0.09","298","4","298","4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N3 O4 -","- C27 H29 N3 O4 -","- C54 H58 N6 O8 -","2","1","","Chowdhury, Srayoshi Roy; Nandi, Sujay Kumar; Podder, Debasish; Haldar, Debasish","Conformational Heterogeneity and Self-Assembly of α,β,γ-Hybrid Peptides Containing Fenamic Acid: Multistimuli-Responsive Phase-Selective Gelation","ACS Omega","2020","","","","","10.1021/acsomega.9b03532","","x-ray","0.71073","MoKα","","0.0534","0.047","","","0.1506","0.1574","","","","","","1.088","","","","has coordinates","247381","2020-10-21","18:00:00",""
"4517365","10.9997","0.0001","10.5162","0.0001","14.1245","0.0001","90","","106.586","0.001","90","","1565.87","0.02","100.02","0.1","100.02","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H36 Fe N O P S -","- C37 H36 Fe N O P S -","- C74 H72 Fe2 N2 O2 P2 S2 -","2","1","","Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang","Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling","ACS Catalysis","2020","10","2","1548","1554","10.1021/acscatal.9b04354","","x-ray","1.54184","CuKα","","0.0452","0.0441","","","0.115","0.1157","","","","","","1.058","","","","has coordinates","256992","2020-10-21","18:00:00",""
"4517366","9.5052","0.0001","11.4481","0.0001","11.0312","0.0001","90","","93.722","0.001","90","","1197.84","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H23 O P -","- C32 H23 O P -","- C64 H46 O2 P2 -","2","1","","Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang","Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling","ACS Catalysis","2020","10","2","1548","1554","10.1021/acscatal.9b04354","","x-ray","1.54184","CuKα","","0.0357","0.0354","","","0.0971","0.0974","","","","","","1.053","","","","has coordinates","256992","2020-10-21","18:00:00",""
"4517367","10.3729","0.0003","11.5112","0.0002","15.6134","0.0003","90","","106.888","0.002","90","","1783.91","0.07","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H37 Cl3 Fe N O2 P S -","- C38 H37 Cl3 Fe N O2 P S -","- C76 H74 Cl6 Fe2 N2 O4 P2 S2 -","2","1","","Ji, Wangqin; Wu, Hai-Hong; Zhang, Junliang","Axially Chiral Biaryl Monophosphine Oxides Enabled by Palladium/WJ-Phos-Catalyzed Asymmetric Suzuki‒Miyaura Cross-coupling","ACS Catalysis","2020","10","2","1548","1554","10.1021/acscatal.9b04354","","x-ray","1.54184","CuKα","","0.0609","0.0595","","","0.1537","0.1546","","","","","","1.049","","","","has coordinates","256992","2020-10-21","18:00:00",""
"4517368","13.5499","0.0005","15.2341","0.0005","24.4346","0.0009","90","","90","","90","","5043.8","0.3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H24 F3 N O6 S -","- C27 H24 F3 N O6 S -","- C216 H192 F24 N8 O48 S8 -","8","1","","Uno, Hiroto; Imai, Takanori; Harada, Kyosuke; Shibata, Norio","Synthesis of Highly Functionalized 12-Membered Trifluoromethyl Heterocycles via a Nondecarboxylative Pd-Catalyzed [6 + 6] Annulation","ACS Catalysis","2020","10","2","1454","1459","10.1021/acscatal.9b05377","","","0.71075","MoKα","","","0.0527","","","","0.127","","","","","","1.032","","","","has coordinates","256993","2020-10-21","18:00:00",""
"4517369","8.4561","0.0003","8.5762","0.0003","12.4229","0.0004","110.047","0.0009","111.941","0.001","90.1156","0.0011","776.24","0.05","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 F3 N O4 S -","- C16 H12 F3 N O4 S -","- C32 H24 F6 N2 O8 S2 -","2","1","","Uno, Hiroto; Imai, Takanori; Harada, Kyosuke; Shibata, Norio","Synthesis of Highly Functionalized 12-Membered Trifluoromethyl Heterocycles via a Nondecarboxylative Pd-Catalyzed [6 + 6] Annulation","ACS Catalysis","2020","10","2","1454","1459","10.1021/acscatal.9b05377","","","0.71075","MoKα","","","0.0346","","","","0.1547","","","","","","1.131","","","","has coordinates","256993","2020-10-21","18:00:00",""
"4517370","9.4313","0.0003","11.4154","0.0004","13.8509","0.0004","84.332","0.006","74.645","0.006","85.308","0.006","1428.55","0.09","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H29 F4 N O6 S -","- C29 H29 F4 N O6 S -","- C58 H58 F8 N2 O12 S2 -","2","1","","Uno, Hiroto; Imai, Takanori; Harada, Kyosuke; Shibata, Norio","Synthesis of Highly Functionalized 12-Membered Trifluoromethyl Heterocycles via a Nondecarboxylative Pd-Catalyzed [6 + 6] Annulation","ACS Catalysis","2020","10","2","1454","1459","10.1021/acscatal.9b05377","","","0.71075","MoKα","","","0.0484","","","","0.1277","","","","","","1.035","","","","has coordinates","256993","2020-10-21","18:00:00",""
"4517371","12.177","0.003","18.604","0.004","20.729","0.005","111.648","0.003","101.917","0.003","95.562","0.003","4192.6","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H89.83 Co Ga N7 O0 P5 -","- C75 H90 Co Ga N7 P5 -","- C150 H180 Co2 Ga2 N14 P10 -","2","1","","Vollmer, Matthew V.; Ye, Jingyun; Linehan, John C.; Graziano, Brendan J.; Preston, Andrew; Wiedner, Eric S.; Lu, Connie C.","Cobalt-Group 13 Complexes Catalyze CO2 Hydrogenation via a Co(−I)/Co(I) Redox Cycle","ACS Catalysis","2020","","","2459","2470","10.1021/acscatal.9b03534","","","0.71073","MoKα","","0.0531","0.0353","","","0.0876","0.0943","","","","","","1.036","","","","has coordinates,has disorder","257032","2020-10-21","18:00:00",""
"4517372","12.2163","0.0015","18.704","0.003","20.45","0.004","112.181","0.007","100.878","0.009","95.913","0.008","4170.4","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","16259_[InCo(N2)]PPN","","","- C79 H98 Co In N7 O P5 -","- C79 H98 Co In N7 O P5 -","- C158 H196 Co2 In2 N14 O2 P10 -","2","1","","Vollmer, Matthew V.; Ye, Jingyun; Linehan, John C.; Graziano, Brendan J.; Preston, Andrew; Wiedner, Eric S.; Lu, Connie C.","Cobalt-Group 13 Complexes Catalyze CO2 Hydrogenation via a Co(−I)/Co(I) Redox Cycle","ACS Catalysis","2020","","","2459","2470","10.1021/acscatal.9b03534","","","0.71073","MoKα","","0.0572","0.0359","","","0.0905","0.1052","","","","","","1.05","","","","has coordinates","257032","2020-10-21","18:00:00",""
"4517373","12.329","0.006","27.522","0.013","12.652","0.007","90","","105.97","0.02","90","","4127","4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","19092_AlCoH","","","- C42 H64 Al Co N4 P3 -","- C42 H64 Al Co N4 P3 -","- C168 H256 Al4 Co4 N16 P12 -","4","2","","Vollmer, Matthew V.; Ye, Jingyun; Linehan, John C.; Graziano, Brendan J.; Preston, Andrew; Wiedner, Eric S.; Lu, Connie C.","Cobalt-Group 13 Complexes Catalyze CO2 Hydrogenation via a Co(−I)/Co(I) Redox Cycle","ACS Catalysis","2020","","","2459","2470","10.1021/acscatal.9b03534","","","0.71073","MoKα","","0.101","0.0551","","","0.0961","0.1101","","","","","","1.02","","","","has coordinates","257032","2020-10-21","18:00:00",""
"4517374","12.4071","0.0013","19.343","0.002","19.588","0.002","110.472","0.004","97.544","0.004","101.928","0.003","4201.3","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","18200_GaCoH","","","- C82 H132 Co2 Ga2 N8 O P6 -","- C82 H132 Co2 Ga2 N8 O P6 -","- C164 H264 Co4 Ga4 N16 O2 P12 -","2","1","","Vollmer, Matthew V.; Ye, Jingyun; Linehan, John C.; Graziano, Brendan J.; Preston, Andrew; Wiedner, Eric S.; Lu, Connie C.","Cobalt-Group 13 Complexes Catalyze CO2 Hydrogenation via a Co(−I)/Co(I) Redox Cycle","ACS Catalysis","2020","","","2459","2470","10.1021/acscatal.9b03534","","","0.71073","MoKα","","0.1088","0.0741","","","0.1561","0.1723","","","","","","1.085","","","","has coordinates,has disorder","257032","2020-10-21","18:00:00",""
"4517375","15.6109","0.0018","15.6109","0.0018","15.6109","0.0018","90","","90","","90","","3804.4","0.8","200","","200","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","Magnesium borohydride","","","- B2 H8 Kr0.313 Mg -","- B2 H8 Kr0.312667 Mg -","- B48 H192 Kr7.504 Mg24 -","24","0.25","","Dovgaliuk, Iurii; Dyadkin, Vadim; Donckt, Mathieu Vander; Filinchuk, Yaroslav; Chernyshov, Dmitry","Non-Isothermal Kinetics of Kr Adsorption by Nanoporous γ-Mg(BH<sub>4</sub>)<sub>2</sub> from <i>in situ</i> Synchrotron Powder Diffraction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b19239","powder diffraction","","0.67522","synchrotron","","","","","","","","","12.7055","8.2593","","","","","","","has coordinates","247466","2020-10-21","18:00:00",""
"4517376","15.72748","0.00011","15.72748","0.00011","15.72748","0.00011","90","","90","","90","","3890.25","0.05","114","","114","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","Magnesium borohydride","","","- B2 H8 Kr0.635 Mg -","- B2 H8 Kr0.635333 Mg -","- B48 H192 Kr15.248 Mg24 -","24","0.25","","Dovgaliuk, Iurii; Dyadkin, Vadim; Donckt, Mathieu Vander; Filinchuk, Yaroslav; Chernyshov, Dmitry","Non-Isothermal Kinetics of Kr Adsorption by Nanoporous γ-Mg(BH<sub>4</sub>)<sub>2</sub> from <i>in situ</i> Synchrotron Powder Diffraction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b19239","powder diffraction","","0.78487","synchrotron","","","","","","","","","3.7636","9.2248","","","","","","","has coordinates","247467","2020-10-21","18:00:00",""
"4517377","15.562","0.002","15.562","0.002","15.562","0.002","90","","90","","90","","3768.7","0.8","115","","115","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","Magnesium borohydride","","","- B2 H8 Kr0.557 Mg -","- B2 H8 Kr0.557333 Mg -","- B48 H192 Kr13.376 Mg24 -","24","0.25","","Dovgaliuk, Iurii; Dyadkin, Vadim; Donckt, Mathieu Vander; Filinchuk, Yaroslav; Chernyshov, Dmitry","Non-Isothermal Kinetics of Kr Adsorption by Nanoporous γ-Mg(BH<sub>4</sub>)<sub>2</sub> from <i>in situ</i> Synchrotron Powder Diffraction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b19239","powder diffraction","","0.67522","synchrotron","","","","","","","","","10.4314","10.6542","","","","","","","has coordinates","247468","2020-10-21","18:00:00",""
"4517378","15.7621","0.0002","15.7621","0.0002","15.7621","0.0002","90","","90","","90","","3916","0.09","200","","200","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","Magnesium borohydride","","","- B2 H8 Kr0.4 Mg -","- B2 H8 Kr0.4044 Mg -","- B48 H192 Kr9.7056 Mg24 -","24","0.25","","Dovgaliuk, Iurii; Dyadkin, Vadim; Donckt, Mathieu Vander; Filinchuk, Yaroslav; Chernyshov, Dmitry","Non-Isothermal Kinetics of Kr Adsorption by Nanoporous γ-Mg(BH<sub>4</sub>)<sub>2</sub> from <i>in situ</i> Synchrotron Powder Diffraction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b19239","powder diffraction","","0.67522","synchrotron","","","","","","","","","7.5697","8.2594","","","","","","","has coordinates","247469","2020-10-21","18:00:00",""
"4517379","15.7779","0.0003","15.7779","0.0003","15.7779","0.0003","90","","90","","90","","3927.78","0.13","300","","300","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","Magnesium borohydride","","","- B2 H8 Kr0.008 Mg -","- B2 H8 Kr0.00826667 Mg -","- B48 H192 Kr0.1984 Mg24 -","24","0.25","","Dovgaliuk, Iurii; Dyadkin, Vadim; Donckt, Mathieu Vander; Filinchuk, Yaroslav; Chernyshov, Dmitry","Non-Isothermal Kinetics of Kr Adsorption by Nanoporous γ-Mg(BH<sub>4</sub>)<sub>2</sub> from <i>in situ</i> Synchrotron Powder Diffraction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b19239","powder diffraction","","0.67522","synchrotron","","","","","","","","","3.205","8.7133","","","","","","","has coordinates","247470","2020-10-21","18:00:00",""
"4517380","15.6782","0.0013","15.6782","0.0013","15.6782","0.0013","90","","90","","90","","3853.8","0.6","300","","300","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","Magnesium borohydride","","","- B2 H8 Kr0.02 Mg -","- B2 H8 Kr0.02 Mg -","- B48 H192 Kr0.48 Mg24 -","24","0.25","","Dovgaliuk, Iurii; Dyadkin, Vadim; Donckt, Mathieu Vander; Filinchuk, Yaroslav; Chernyshov, Dmitry","Non-Isothermal Kinetics of Kr Adsorption by Nanoporous γ-Mg(BH<sub>4</sub>)<sub>2</sub> from <i>in situ</i> Synchrotron Powder Diffraction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b19239","powder diffraction","","","synchrotron","","","","","","","","","4.177","8.2593","","","","","","","has coordinates","247471","2020-10-21","18:00:00",""
"4517381","24.7458","","5.635","","7.0259","","90","","90.501","","90","","979.672","","293","","293","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","a aluminum based metal organic framework","1np","","- C24 Al2 N4 O12 -","- C24 Al2 N4 O12 -","- C48 Al4 N8 O24 -","2","0.25","","Liang, Jie; Li, Xiaohang; Xi, Rubing; Shan, Guangcun; Li, Pei-Zhou; Liu, Jia; Zhao, Yanli; Zou, Ruqiang","A Robust Aluminum Metal-Organic Framework with Temperature-Induced Breathing Effect","ACS Materials Letters","2020","","","220","","10.1021/acsmaterialslett.9b00399","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","","2.24","3.862","","","","","","","has coordinates","247473","2020-10-21","18:00:00",""
"4517382","13.3534","0.0002","19.2873","0.0003","14.681","0.0002","90","","94.714","0.002","90","","3768.32","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 F3 O Si -","- C20 H23 F3 O Si -","- C160 H184 F24 O8 Si8 -","8","2","","Iwamoto, Hiroaki; Hayashi, Yuta; Ozawa, Yu; Ito, Hajime","Silyl-Group-Directed Linear-Selective Allylation of Carbonyl Compounds with Trisubstituted Allylboronates Using a Copper(I) Catalyst","ACS Catalysis","2020","","","2471","","10.1021/acscatal.9b05408","","x-ray","1.54184","CuKα","","0.0552","0.0516","","","0.1733","0.1793","","","","","","1.114","","","","has coordinates","247843","2020-10-21","18:00:00",""
"4517383","9.6286","0.0003","10.7523","0.0003","25.4679","0.0008","90","","90","","90","","2636.68","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 Br2 O4 -","- C31 H26 Br2 O4 -","- C124 H104 Br8 O16 -","4","1","","Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei","Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids","ACS Catalysis","2020","10","4","2596","2602","10.1021/acscatal.9b05577","","","0.71073","MoKα","","0.0455","0.0321","","","0.0562","0.0613","","","","","","1.047","","","","has coordinates","256991","2020-10-21","18:00:00",""
"4517384","7.712","0.002","10.915","0.003","12.298","0.003","114.959","0.006","99.228","0.006","100.157","0.007","891.3","0.4","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H20 O3 -","- C24 H20 O3 -","- C48 H40 O6 -","2","1","","Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei","Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids","ACS Catalysis","2020","10","4","2596","2602","10.1021/acscatal.9b05577","","","0.71073","MoKα","","0.0868","0.0541","","","0.1265","0.1469","","","","","","0.992","","","","has coordinates","256991","2020-10-21","18:00:00",""
"4517385","8.89","0.0004","21.1643","0.0011","11.0358","0.0005","90","","104.694","0.002","90","","2008.48","0.17","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C53 H42 O2 P2 -","- C53 H42 O2 P2 -","- C106 H84 O4 P4 -","2","1","","Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei","Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids","ACS Catalysis","2020","10","4","2596","2602","10.1021/acscatal.9b05577","","","0.71073","MoKα","","0.0643","0.0458","","","0.0891","0.1004","","","","","","1.036","","","","has coordinates","256991","2020-10-21","18:00:00",""
"4517386","15.3961","0.0005","13.602","0.0004","16.0574","0.0004","90","","90","","90","","3362.7","0.17","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 N6 O3 S -","- C14 H18 N6 O3 S -","- C112 H144 N48 O24 S8 -","8","1","","Oliveira, Ana P. A.; Freitas, Jennifer T. J.; Diniz, Renata; Pessoa, Claudia; Maranhão, Sarah S; Ribeiro, Juliana M.; Souza-Fagundes, Elaine M; Beraldo, Heloisa","Triethylphosphinegold(I) Complexes with Secnidazole-Derived Thiosemicarbazones: Cytotoxic Activity against HCT-116 Colorectal Cancer Cells under Hypoxia Conditions.","ACS omega","2020","5","6","2939","2946","10.1021/acsomega.9b03778","","x-ray","0.71073","MoKα","","0.0678","0.0489","","","0.14","0.1538","","","","","","1.027","","","","has coordinates","248692","2020-10-21","18:00:00",""
"4517387","8.1536","0.0004","8.732","0.0006","9.8349","0.0005","89.139","0.005","81.378","0.004","68.29","0.006","642.57","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 N6 O2 S -","- C9 H14 N6 O2 S -","- C18 H28 N12 O4 S2 -","2","1","","Oliveira, Ana P. A.; Freitas, Jennifer T. J.; Diniz, Renata; Pessoa, Claudia; Maranhão, Sarah S; Ribeiro, Juliana M.; Souza-Fagundes, Elaine M; Beraldo, Heloisa","Triethylphosphinegold(I) Complexes with Secnidazole-Derived Thiosemicarbazones: Cytotoxic Activity against HCT-116 Colorectal Cancer Cells under Hypoxia Conditions.","ACS omega","2020","5","6","2939","2946","10.1021/acsomega.9b03778","","x-ray","0.71073","MoKα","","0.086","0.0659","","","0.1718","0.196","","","","","","1.127","","","","has coordinates","248692","2020-10-21","18:00:00",""
"4517388","9.1165","0.0008","10.8798","0.0013","13.0957","0.0015","73.946","0.01","88.38","0.008","77.43","0.009","1217.6","0.2","181","13","181","13","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 B Br2 -","- C27 H29 B Br2 -","- C54 H58 B2 Br4 -","2","1","","Ru, Chenglong; Wei, Qiuyu; Chen, Wenhao; Guan, Qiye; Zhang, Qianqian; Ling, Yuan; Tao, Chunlan; Qin, Dongdong; Wu, Jincai; Pan, Xiaobo","Tunable Conjugated Organoborane Oligomers for Visible-Light-Driven Hydrogen Evolution","ACS Energy Letters","2020","5","2","669","675","10.1021/acsenergylett.0c00075","","","0.71073","MoKα","","0.063","0.0415","","","0.0785","0.0871","","","","","","1.027","","","","has coordinates","257081","2020-10-21","18:00:00",""
"4517389","26.451","0.007","7.875","0.002","13.315","0.004","90","","94.256","0.006","90","","2765.9","1.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N4 O -","- C16 H14 N4 O -","- C128 H112 N32 O8 -","8","1","","Ohmatsu, Kohsuke; Suzuki, Ryuhei; Furukawa, Yukino; Sato, Makoto; Ooi, Takashi","Zwitterionic 1,2,3-Triazolium Amidate as a Catalyst for Photoinduced Hydrogen-Atom Transfer Radical Alkylation","ACS Catalysis","2020","","","2627","","10.1021/acscatal.9b04491","","","0.71075","MoKα","","0.0504","0.0342","","","0.0802","0.084","","","","","","0.936","","","","has coordinates","247951","2020-10-21","18:00:00",""
"4517390","12.465","0.009","11.018","0.007","22.209","0.015","90","","92.386","0.014","90","","3048","4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 Cl N4 O -","- C16 H15 Cl N4 O -","- C128 H120 Cl8 N32 O8 -","8","1","","Ohmatsu, Kohsuke; Suzuki, Ryuhei; Furukawa, Yukino; Sato, Makoto; Ooi, Takashi","Zwitterionic 1,2,3-Triazolium Amidate as a Catalyst for Photoinduced Hydrogen-Atom Transfer Radical Alkylation","ACS Catalysis","2020","","","2627","","10.1021/acscatal.9b04491","","","0.71075","MoKα","","0.0525","0.0446","","","0.1074","0.1089","","","","","","0.91","","","","has coordinates","247952","2020-10-21","18:00:00",""
"4517391","6.62","0.0003","7.8565","0.0005","17.0496","0.0007","83.308","0.004","86.928","0.004","73.022","0.005","842.15","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H14 Br Mn N2 O3 S -","- C15 H14 Br Mn N2 O3 S -","- C30 H28 Br2 Mn2 N4 O6 S2 -","2","1","","Jana, Akash; Das, Kuhali; Kundu, Abhishek; Thorve, Pradip Ramdas; Adhikari, Debashis; Maji, Biplab","A Phosphine-Free Manganese Catalyst Enables Stereoselective Synthesis of (1 + n)-Membered Cycloalkanes from Methyl Ketones and 1,n-Diols","ACS Catalysis","2020","","","2615","","10.1021/acscatal.9b05567","","x-ray","1.54184","CuKα","","0.0464","0.0368","","","0.0886","0.0943","","","","","","0.98","","","","has coordinates","247953","2020-10-21","18:00:00",""
"4517392","7.5394","0.0003","9.7257","0.0004","11.6722","0.0005","108.97","0.004","99.234","0.003","101.738","0.003","768.37","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H12 Br Mn N2 O3 S -","- C14 H12 Br Mn N2 O3 S -","- C28 H24 Br2 Mn2 N4 O6 S2 -","2","1","","Jana, Akash; Das, Kuhali; Kundu, Abhishek; Thorve, Pradip Ramdas; Adhikari, Debashis; Maji, Biplab","A Phosphine-Free Manganese Catalyst Enables Stereoselective Synthesis of (1 + n)-Membered Cycloalkanes from Methyl Ketones and 1,n-Diols","ACS Catalysis","2020","","","2615","","10.1021/acscatal.9b05567","","x-ray","1.54184","CuKα","","0.054","0.0536","","","0.1396","0.14","","","","","","1.063","","","","has coordinates","247954","2020-10-21","18:00:00",""
"4517393","18.6751","0.0008","11.9733","0.0005","21.1751","0.0015","90","","90","","90","","4734.8","0.4","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C15 H22 I N6 O3 Zn -","- C15 H22 I N6 O3 Zn -","- C120 H176 I8 N48 O24 Zn8 -","8","1","","Chen, Yu; Orr, Asuka A.; Tao, Kai; Wang, Zhibin; Ruggiero, Antonella; Shimon, Linda J. W.; Schnaider, Lee; Goodall, Alicia; Rencus-Lazar, Sigal; Gilead, Sharon; Slutsky, Inna; Tamamis, Phanourios; Tan, Zhan'ao; Gazit, Ehud","High-Efficiency Fluorescence through Bioinspired Supramolecular Self-Assembly.","ACS nano","2020","","","","","10.1021/acsnano.9b10024","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","247981","2020-10-21","18:00:00",""
"4517394","14.1788","0.0011","8.3217","0.0006","17.7545","0.0016","90","","107.843","0.003","90","","1994.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H25 N O3 S -","- C24 H25 N O3 S -","- C96 H100 N4 O12 S4 -","4","2","","Chin, Kek Foo; Ye, Xinyi; Li, Yongxin; Lee, Richmond; Kabylda, Adil M.; Leow, Dasheng; Zhang, Xin; Xia Ang, Esther Cai; Tan, Choon-Hong","Bisguanidinium-Catalyzed Epoxidation of Allylic and Homoallylic Amines under Phase Transfer Conditions","ACS Catalysis","2020","","","2684","","10.1021/acscatal.9b04862","","","0.71073","MoKα","","0.1504","0.07","","","0.1124","0.1414","","","","","","1.05","","","","has coordinates","247994","2020-10-21","18:00:00",""
"4517395","10.9657","0.0008","14.7551","0.0012","16.165","0.0012","102.59","0.0017","97.3713","0.0016","101.976","0.002","2455.5","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C100 H138 N8 O13 W2 -","- C100 H138 N8 O13 W2 -","- C100 H138 N8 O13 W2 -","1","1","","Chin, Kek Foo; Ye, Xinyi; Li, Yongxin; Lee, Richmond; Kabylda, Adil M.; Leow, Dasheng; Zhang, Xin; Xia Ang, Esther Cai; Tan, Choon-Hong","Bisguanidinium-Catalyzed Epoxidation of Allylic and Homoallylic Amines under Phase Transfer Conditions","ACS Catalysis","2020","","","2684","","10.1021/acscatal.9b04862","","","0.71073","MoKα","","0.08","0.0611","","","0.1464","0.1567","","","","","","1.063","","","","has coordinates,has disorder","247995","2020-10-21","18:00:00",""
"4517396","13.6251","0.0006","15.5532","0.0006","15.146","0.0006","90","","98.224","0.001","90","","3176.6","0.2","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H18 F3 N O9 P2 S -","- C37 H18 F3 N O9 P2 S -","- C148 H72 F12 N4 O36 P8 S4 -","4","1","","Alice Heskia; Thierry Maris; James D. Wuest","Bis(phosphangulene)iminium Salts. Holding on to Fullerenes with Phangs","Cryst. Growth & Design","2020","20","","1319","1327","10.1021/acs.cgd.9b01568","","x-ray","1.34139","GaKα","","0.0408","0.0395","","","0.1016","0.103","","","","","","1.082","","","","has coordinates,has Fobs","248030","2020-10-21","18:00:00",""
"4517397","13.0119","0.0004","15.621","0.0005","14.9019","0.0005","90","","97.364","0.002","90","","3003.96","0.17","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H18 B F4 N O6 P2 -","- C36 H18 B F4 N O6 P2 -","- C144 H72 B4 F16 N4 O24 P8 -","4","1","","Alice Heskia; Thierry Maris; James D. Wuest","Bis(phosphangulene)iminium Salts. Holding on to Fullerenes with Phangs","Cryst. Growth & Design","2020","20","","1319","1327","10.1021/acs.cgd.9b01568","","x-ray","1.34139","GaKα","","0.0785","0.059","","","0.1457","0.1571","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","248031","2020-10-21","18:00:00",""
"4517398","15.9625","0.0005","16.9936","0.0005","25.4614","0.0008","90","","97.837","0.002","90","","6842.2","0.4","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C156 H84 Ag4 Br8 Cl2 N4 O25 P8 -","- C156 H84 Ag4 Br8 Cl2 N4 O25 P8 -","- C312 H168 Ag8 Br16 Cl4 N8 O50 P16 -","2","0.5","","Alice Heskia; Thierry Maris; James D. Wuest","Bis(phosphangulene)iminium Salts. Holding on to Fullerenes with Phangs","Cryst. Growth & Design","2020","20","","1319","1327","10.1021/acs.cgd.9b01568","","x-ray","1.34139","GaKα","","0.0796","0.0638","","","0.1701","0.1867","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","248032","2020-10-21","18:00:00",""
"4517399","13.8832","0.0006","35.9157","0.0017","14.1516","0.0006","90","","119.08","0.002","90","","6166.8","0.5","150","","150","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C104 H22 Ag7 F24 N O32 P2 S8 -","- C104 H22 Ag7 F24 N O32 P2 S8 -","- C208 H44 Ag14 F48 N2 O64 P4 S16 -","2","0.5","","Alice Heskia; Thierry Maris; James D. Wuest","Bis(phosphangulene)iminium Salts. Holding on to Fullerenes with Phangs","Cryst. Growth & Design","2020","20","","1319","1327","10.1021/acs.cgd.9b01568","","x-ray","1.34139","GaKα","","0.0723","0.0624","","","0.168","0.1747","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","248033","2020-10-21","18:00:00",""
"4517400","21.7542","0.0011","21.1692","0.0011","14.5338","0.0008","90","","97.072","0.003","90","","6642.2","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H18 I N O6 P2 -","- C36 H18 I N O6 P2 -","- C288 H144 I8 N8 O48 P16 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Bis(phosphangulene)iminium Salts. Holding on to Fullerenes with Phangs","Cryst. Growth & Design","2020","20","","1319","1327","10.1021/acs.cgd.9b01568","","x-ray","1.54178","CuKα","","0.0552","0.0508","","","0.13","0.134","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","248036","2020-10-21","18:00:00",""
"4517401","12.9613","0.0007","10.7014","0.0004","13.1802","0.0006","90","","113.51","0.006","90","","1676.39","0.15","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H27 N O4 Pt S -","- C34 H27 N O4 Pt S -","- C68 H54 N2 O8 Pt2 S2 -","2","1","","Jiang, Zhiyong; Wang, Jun; Gao, Tingting; Ma, Jianping; Chen, Runfeng; Liu, Zhipeng","Rational Design of Axially Chiral Platinabinaphthalenes with Aggregation-Induced Emission for Red Circularly Polarized Phosphorescent Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b20568","","x-ray","1.54184","CuKα","","0.0592","0.0505","","","0.1068","0.1147","","","","","","0.985","","","","has coordinates","248037","2020-10-21","18:00:00",""
"4517402","10.232","0.002","23.201","0.004","13.408","0.002","90","","90.275","0.007","90","","3182.9","1","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H27 N O4 Pt S -","- C34 H27 N O4 Pt S -","- C136 H108 N4 O16 Pt4 S4 -","4","2","","Jiang, Zhiyong; Wang, Jun; Gao, Tingting; Ma, Jianping; Chen, Runfeng; Liu, Zhipeng","Rational Design of Axially Chiral Platinabinaphthalenes with Aggregation-Induced Emission for Red Circularly Polarized Phosphorescent Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b20568","","","0.71073","MoKα","","0.0366","0.0317","","","0.0666","0.0686","","","","","","0.95","","","","has coordinates","248038","2020-10-21","18:00:00",""
"4517403","13.7293","0.0004","11.363","0.0004","12.5175","0.0004","90","","95.847","0.003","90","","1942.65","0.11","119.99","0.1","119.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cl2 O7 U0.5 -","- C6 H6 Cl2 O7 U0.5 -","- C48 H48 Cl16 O56 U4 -","8","1","","Refn, Vanja E.; Kubus, Mariusz; Mossin, Susanne; Larsen, René Wugt; Pedersen, Kasper S.","A Redox-Innocent Uranium(IV)-Quinoid Metal-Organic Framework.","ACS omega","2020","5","7","3462","3466","10.1021/acsomega.9b03727","","x-ray","0.71073","MoKα","","0.0201","0.0183","","","0.0435","0.0442","","","","","","1.041","","","","has coordinates","248695","2020-10-21","18:00:00",""
"4517404","13.8598","0.0007","11.496","0.0006","12.61","0.0006","90","","96.415","0.005","90","","1996.6","0.17","285","13","285","13","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl4 O14 U -","- C12 H12 Cl4 O14 U -","- C48 H48 Cl16 O56 U4 -","4","0.5","","Refn, Vanja E.; Kubus, Mariusz; Mossin, Susanne; Larsen, René Wugt; Pedersen, Kasper S.","A Redox-Innocent Uranium(IV)-Quinoid Metal-Organic Framework.","ACS omega","2020","5","7","3462","3466","10.1021/acsomega.9b03727","","x-ray","0.71073","MoKα","","0.0221","0.02","","","0.0434","0.0445","","","","","","1.056","","","","has coordinates","248695","2020-10-21","18:00:00",""
"4517405","9.529","0.002","10.567","0.003","20.407","0.005","87.353","0.007","86.97","0.007","63.261","0.005","1832","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C100 H68 N4 O8 -","4","2","","Panday, Anoop Kumar; Ali, Danish; Choudhury, Lokman H.","Cs<sub>2</sub>CO<sub>3</sub>-Mediated Rapid Room-Temperature Synthesis of 3-Amino-2-aroyl Benzofurans and Their Copper-Catalyzed <i>N</i>-Arylation Reactions.","ACS omega","2020","5","7","3646","3660","10.1021/acsomega.9b04169","","","0.71073","MoKα","","0.126","0.092","","","0.2239","0.2417","","","","","","1.111","","","","has coordinates","248697","2020-10-21","18:00:00",""
"4517406","33.014","0.004","33.014","0.004","22.911","0.003","90","","90","","90","","24971","5","195","","195","","","","0","","","","synthetic","4","P 4/m m m","-P 4 2","123","desolvated pcn12","desolvated pcn12","none","- C17 H8 Cu2 O8 -","- C17 H8 Cu2 O8 -","- C408 H192 Cu48 O192 -","24","1.5","","Elsaidi, Sameh K.; Ongari, Daniele; Mohamed, Mona H.; Xu, Wenqian; Motkuri, Radha Kishan; Haranczyk, Maciej; Thallapally, Praveen K.","Metal Organic Frameworks for Xenon Storage Applications","ACS Materials Letters","2020","2","3","233","238","10.1021/acsmaterialslett.9b00468","powder diffraction","x-ray","0.45336","Synchrotronmono-beam","","","","","","","","0.0528","","6.33","","","","","","","has coordinates","257089","2020-10-21","18:00:00",""
"4517407","7.9413","0.0013","7.9555","0.0013","8.0755","0.0013","81.685","0.006","63.54","0.005","72.764","0.005","436.18","0.12","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H23 N3 O3 S -","- C17 H23 N3 O3 S -","- C17 H23 N3 O3 S -","1","1","","Chiou, Wen-Hua; Hsu, Kuo-Hsun; Huang, Wen-Wei","Rh-Catalyzed Hydroformylation-Initiated Bicyclization: Construction of Azabicyclic Systems.","ACS omega","2020","5","7","3717","3724","10.1021/acsomega.9b04400","","x-ray","0.71073","MoKα","","0.074","0.056","","","0.117","0.1313","","","","","","0.946","","","","has coordinates","248696","2020-10-21","18:00:00",""
"4517408","11.0203","0.0007","11.5372","0.0007","12.58","0.0008","65.952","0.001","72.572","0.002","88.782","0.002","1384.23","0.15","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N Nd O11 -","- C30 H24 N Nd O11 -","- C60 H48 N2 Nd2 O22 -","2","1","","Chen, Wei; Liu, Haiyu; Fan, Ruiqing; Wang, Ping; Sun, Tiancheng; Yang, Yulin","Formation and Encapsulation of Lead Halide Perovskites in Lanthanide Metal-Organic Frameworks for Tunable Emission.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b23617","","","0.71073","MoKα","","0.0278","0.0239","","","0.0638","0.0739","","","","","","1.129","","","","has coordinates,has disorder","248124","2020-10-21","18:00:00",""
"4517409","10.9384","0.0008","11.4632","0.0008","12.4861","0.0009","66.001","0.002","72.607","0.002","88.79","0.002","1355.79","0.17","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N O11 Sm -","- C30 H24 N O11 Sm -","- C60 H48 N2 O22 Sm2 -","2","1","","Chen, Wei; Liu, Haiyu; Fan, Ruiqing; Wang, Ping; Sun, Tiancheng; Yang, Yulin","Formation and Encapsulation of Lead Halide Perovskites in Lanthanide Metal-Organic Frameworks for Tunable Emission.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b23617","","","0.71073","MoKα","","0.039","0.0364","","","0.0934","0.1001","","","","","","1.122","","","","has coordinates,has disorder","248124","2020-10-21","18:00:00",""
"4517410","10.981","0.003","11.518","0.003","12.583","0.003","65.786","0.003","72.419","0.002","88.675","0.003","1374.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Eu N O11 -","- C30 H24 Eu N O11 -","- C60 H48 Eu2 N2 O22 -","2","1","","Chen, Wei; Liu, Haiyu; Fan, Ruiqing; Wang, Ping; Sun, Tiancheng; Yang, Yulin","Formation and Encapsulation of Lead Halide Perovskites in Lanthanide Metal-Organic Frameworks for Tunable Emission.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b23617","","","0.71073","MoKα","","0.0851","0.054","","","0.1056","0.1434","","","","","","1.016","","","","has coordinates","248124","2020-10-21","18:00:00",""
"4517411","10.9796","0.001","11.521","0.001","12.5993","0.0011","65.73","0.001","72.371","0.001","88.632","0.001","1375.4","0.2","293","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Gd N O11 -","- C30 H24 Gd N O11 -","- C60 H48 Gd2 N2 O22 -","2","1","","Chen, Wei; Liu, Haiyu; Fan, Ruiqing; Wang, Ping; Sun, Tiancheng; Yang, Yulin","Formation and Encapsulation of Lead Halide Perovskites in Lanthanide Metal-Organic Frameworks for Tunable Emission.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b23617","","","0.71073","MoKα","","0.0229","0.0197","","","0.053","0.0628","","","","","","1.175","","","","has coordinates,has disorder","248124","2020-10-21","18:00:00",""
"4517412","10.9653","0.0013","11.5047","0.0014","12.6011","0.0015","65.644","0.001","72.303","0.001","88.582","0.001","1370.3","0.3","293","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N O11 Tb -","- C30 H24 N O11 Tb -","- C60 H48 N2 O22 Tb2 -","2","1","","Chen, Wei; Liu, Haiyu; Fan, Ruiqing; Wang, Ping; Sun, Tiancheng; Yang, Yulin","Formation and Encapsulation of Lead Halide Perovskites in Lanthanide Metal-Organic Frameworks for Tunable Emission.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b23617","","","0.71073","MoKα","","0.0286","0.0255","","","0.0611","0.0632","","","","","","1.099","","","","has coordinates","248124","2020-10-21","18:00:00",""
"4517413","10.893","0.003","11.439","0.003","12.52","0.003","65.768","0.006","72.267","0.006","88.55","0.006","1346","0.6","293","2","293.01","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Dy N O11 -","- C30 H24 Dy N O11 -","- C60 H48 Dy2 N2 O22 -","2","1","","Chen, Wei; Liu, Haiyu; Fan, Ruiqing; Wang, Ping; Sun, Tiancheng; Yang, Yulin","Formation and Encapsulation of Lead Halide Perovskites in Lanthanide Metal-Organic Frameworks for Tunable Emission.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b23617","","","0.71073","MoKα","","0.0573","0.0429","","","0.0936","0.1047","","","","","","1.061","","","","has coordinates","248124","2020-10-21","18:00:00",""
"4517414","7.8574","0.0004","19.2849","0.0009","9.9755","0.0005","90","","102.355","0.001","90","","1476.57","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N6 O14 Zn -","- C26 H28 N6 O14 Zn -","- C52 H56 N12 O28 Zn2 -","2","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors.","ACS omega","2020","5","7","3774","3785","10.1021/acsomega.0c00136","","","0.71073","MoKα","","0.0311","0.0256","","","0.0503","0.0528","","","","","","1.025","","","","has coordinates","248694","2020-10-21","18:00:00",""
"4517415","5.9866","0.0007","8.7293","0.001","22.354","0.003","96.624","0.003","90.797","0.004","90.264","0.003","1160.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N4 O12 Zn -","- C20 H20 N4 O12 Zn -","- C40 H40 N8 O24 Zn2 -","2","1","","Brahma, Rinki; Baruah, Jubaraj B.","Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors.","ACS omega","2020","5","7","3774","3785","10.1021/acsomega.0c00136","","","0.71073","MoKα","","0.0623","0.0544","","","0.1793","0.1902","","","","","","1.012","","","","has coordinates","248694","2020-10-21","18:00:00",""
"4517416","20.1428","0.0011","6.2816","0.0003","25.1031","0.0013","90","","104.399","0.005","90","","3076.5","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 N6 O12 Zn -","- C28 H28 N6 O12 Zn -","- C112 H112 N24 O48 Zn4 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors.","ACS omega","2020","5","7","3774","3785","10.1021/acsomega.0c00136","","","0.71073","MoKα","","0.0552","0.0406","","","0.0788","0.0861","","","","","","1.038","","","","has coordinates","248694","2020-10-21","18:00:00",""
"4517417","22.0343","0.0008","13.6328","0.0005","15.1548","0.0006","90","","100.715","0.001","90","","4473","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 N8 O20 Zn2 -","- C42 H36 N8 O20 Zn2 -","- C168 H144 N32 O80 Zn8 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors.","ACS omega","2020","5","7","3774","3785","10.1021/acsomega.0c00136","","","0.71073","MoKα","","0.0469","0.0318","","","0.0877","0.0979","","","","","","1.04","","","","has coordinates","248694","2020-10-21","18:00:00",""
"4517418","8.0671","0.0006","12.718","0.002","14.3069","0.0018","81.172","0.013","76.06","0.009","74.624","0.012","1367.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N6 O11 Zn -","- C26 H22 N6 O11 Zn -","- C52 H44 N12 O22 Zn2 -","2","1","","Brahma, Rinki; Baruah, Jubaraj B.","Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors.","ACS omega","2020","5","7","3774","3785","10.1021/acsomega.0c00136","","","0.71073","MoKα","","0.0755","0.0523","","","0.0992","0.1178","","","","","","1.007","","","","has coordinates","248694","2020-10-21","18:00:00",""
"4517419","7.5177","0.0004","7.727","0.0004","11.325","0.0006","72.545","0.003","77.25","0.004","63.092","0.003","556.83","0.05","295","2","295","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H4 F14 S2 -","- C26 H4 F14 S2 -","- C26 H4 F14 S2 -","1","0.5","","Sosorev, Andrey Yu; Trukhanov, Vasiliy A.; Maslennikov, Dmitry R.; Borshchev, Oleg V.; Polyakov, Roman A.; Skorotetcky, Maxim S.; Surin, Nikolay M.; Kazantsev, Maxim S.; Dominskiy, Dmitry I.; Tafeenko, Viktor A.; Ponomarenko, Sergey A.; Paraschuk, Dmitry Yu","Fluorinated Thiophene-Phenylene Co-Oligomers for Optoelectronic Devices.","ACS applied materials & interfaces","2020","12","8","9507","9519","10.1021/acsami.9b20295","","","1.54186","CuKα","","0.049","0.0404","","","0.1049","0.1092","","","","","","1","","","","has coordinates","248689","2020-10-21","18:00:00",""
"4517420","43.582","0.001","5.8661","0.0001","7.7244","0.0002","90","","90","","90","","1974.79","0.08","295","2","295","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C26 H14 F4 S2 -","- C26 H14 F4 S2 -","- C104 H56 F16 S8 -","4","1","","Sosorev, Andrey Yu; Trukhanov, Vasiliy A.; Maslennikov, Dmitry R.; Borshchev, Oleg V.; Polyakov, Roman A.; Skorotetcky, Maxim S.; Surin, Nikolay M.; Kazantsev, Maxim S.; Dominskiy, Dmitry I.; Tafeenko, Viktor A.; Ponomarenko, Sergey A.; Paraschuk, Dmitry Yu","Fluorinated Thiophene-Phenylene Co-Oligomers for Optoelectronic Devices.","ACS applied materials & interfaces","2020","12","8","9507","9519","10.1021/acsami.9b20295","","","1.54186","CuKα","","0.0439","0.0369","","","0.0894","0.0916","","","","","","0.934","","","","has coordinates","248689","2020-10-21","18:00:00",""
"4517421","7.342","0.001","25.736","0.005","11.628","0.004","90","","96.3","0.01","90","","2183.9","0.9","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H8 F10 S2 -","- C26 H8 F10 S2 -","- C104 H32 F40 S8 -","4","1","","Sosorev, Andrey Yu; Trukhanov, Vasiliy A.; Maslennikov, Dmitry R.; Borshchev, Oleg V.; Polyakov, Roman A.; Skorotetcky, Maxim S.; Surin, Nikolay M.; Kazantsev, Maxim S.; Dominskiy, Dmitry I.; Tafeenko, Viktor A.; Ponomarenko, Sergey A.; Paraschuk, Dmitry Yu","Fluorinated Thiophene-Phenylene Co-Oligomers for Optoelectronic Devices.","ACS applied materials & interfaces","2020","12","8","9507","9519","10.1021/acsami.9b20295","","","1.54186","CuKα","","0.102","0.0491","","","0.1048","0.1356","","","","","","0.91","","","","has coordinates","248689","2020-10-21","18:00:00",""
"4517422","15.631","0.0004","9.89045","0.00019","15.9579","0.0004","90","","113.655","0.003","90","","2259.77","0.11","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 F O6 -","- C26 H25 F O6 -","- C104 H100 F4 O24 -","4","1","","Liu, Jian; Vasamsetty, Laxmaiah; Anwar, Muhammad; Yang, Shuang; Xu, Weici; Liu, Jinggong; Nagaraju, Sakkani; Fang, Xinqiang","Organocatalyzed Kinetic Resolution of α-Functionalized Ketones: The Malonate Unit Leads the Way","ACS Catalysis","2020","","","2882","2893","10.1021/acscatal.9b05608","","x-ray","1.54184","CuKα","","0.0435","0.0387","","","0.0995","0.1026","","","","","","1.057","","","","has coordinates,has disorder","257014","2020-10-21","18:00:00",""
"4517423","8.4862","0.0004","11.6076","0.0005","21.8095","0.0008","81.344","0.003","79.625","0.003","70.309","0.004","1980.25","0.15","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O5 -","- C23 H24 O5 -","- C92 H96 O20 -","4","2","","Liu, Jian; Vasamsetty, Laxmaiah; Anwar, Muhammad; Yang, Shuang; Xu, Weici; Liu, Jinggong; Nagaraju, Sakkani; Fang, Xinqiang","Organocatalyzed Kinetic Resolution of α-Functionalized Ketones: The Malonate Unit Leads the Way","ACS Catalysis","2020","","","2882","2893","10.1021/acscatal.9b05608","","x-ray","0.71073","MoKα","","0.0603","0.0433","","","0.1089","0.1164","","","","","","1.055","","","","has coordinates","257014","2020-10-21","18:00:00",""
"4517424","10.4234","0.0001","6.0234","0.0001","15.0661","0.0001","90","","90.369","0.001","90","","945.895","0.019","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H24 O4 -","- C23 H24 O4 -","- C46 H48 O8 -","2","1","","Liu, Jian; Vasamsetty, Laxmaiah; Anwar, Muhammad; Yang, Shuang; Xu, Weici; Liu, Jinggong; Nagaraju, Sakkani; Fang, Xinqiang","Organocatalyzed Kinetic Resolution of α-Functionalized Ketones: The Malonate Unit Leads the Way","ACS Catalysis","2020","","","2882","2893","10.1021/acscatal.9b05608","","x-ray","1.54184","CuKα","","0.0325","0.0321","","","0.0838","0.0841","","","","","","1.0697","","","","has coordinates","257014","2020-10-21","18:00:00",""
"4517425","7.97537","0.00005","7.97537","0.00005","34.7796","0.0003","90","","90","","90","","2212.21","0.03","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C104 H120 N8 O16 -","8","1","","Roque, Jose B.; Kuroda, Yusuke; Jurczyk, Justin; Xu, Li-Ping; Ham, Jin Su; Göttemann, Lucas T.; Roberts, Charis A.; Adpressa, Donovon; Saurí, Josep; Joyce, Leo A.; Musaev, Djamaladdin G.; Yeung, Charles S.; Sarpong, Richmond","C‒C Cleavage Approach to C‒H Functionalization of Saturated Aza-Cycles","ACS Catalysis","2020","","","2929","2941","10.1021/acscatal.9b04551","","","1.54184","CuKα","","0.0272","0.0271","","","0.0699","0.07","","","","","","1.058","","","","has coordinates","257056","2020-10-21","18:00:00",""
"4517426","7.97639","0.00005","7.97639","0.00005","34.7863","0.0003","90","","90","","90","","2213.2","0.03","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C104 H120 N8 O16 -","8","1","","Roque, Jose B.; Kuroda, Yusuke; Jurczyk, Justin; Xu, Li-Ping; Ham, Jin Su; Göttemann, Lucas T.; Roberts, Charis A.; Adpressa, Donovon; Saurí, Josep; Joyce, Leo A.; Musaev, Djamaladdin G.; Yeung, Charles S.; Sarpong, Richmond","C‒C Cleavage Approach to C‒H Functionalization of Saturated Aza-Cycles","ACS Catalysis","2020","","","2929","2941","10.1021/acscatal.9b04551","","","1.54184","CuKα","","0.0268","0.0265","","","0.0663","0.0665","","","","","","1.058","","","","has coordinates","257056","2020-10-21","18:00:00",""
"4517427","8.6719","0.0007","15.1388","0.0012","9.5746","0.0007","90","","116.469","0.004","90","","1125.21","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","jr001","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Roque, Jose B.; Kuroda, Yusuke; Jurczyk, Justin; Xu, Li-Ping; Ham, Jin Su; Göttemann, Lucas T.; Roberts, Charis A.; Adpressa, Donovon; Saurí, Josep; Joyce, Leo A.; Musaev, Djamaladdin G.; Yeung, Charles S.; Sarpong, Richmond","C‒C Cleavage Approach to C‒H Functionalization of Saturated Aza-Cycles","ACS Catalysis","2020","","","2929","2941","10.1021/acscatal.9b04551","","","0.71073","MoKα","","0.0503","0.043","","","0.111","0.1165","","","","","","1.081","","","","has coordinates","257056","2020-10-21","18:00:00",""
"4517428","14.853","0.002","18.958","0.002","22.386","0.003","105.048","0.006","92.216","0.012","95.751","0.012","6043","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H64 F45 P5 Ru2 -","- C105 H64 F45 P5 Ru2 -","- C210 H128 F90 P10 Ru4 -","2","1","","Estes, Deven P.; Leutzsch, Markus; Schubert, Lukas; Bordet, Alexis; Leitner, Walter","Effect of Ligand Electronics on the Reversible Catalytic Hydrogenation of CO2 to Formic Acid Using Ruthenium Polyhydride Complexes: A Thermodynamic and Kinetic Study","ACS Catalysis","2020","","","2990","2998","10.1021/acscatal.0c00404","","","0.71073","MoKα","","0.0566","0.0454","","","0.1163","0.1246","","","","","","1.053","","","","has coordinates,has disorder","257015","2020-10-21","18:00:00",""
"4517429","5.166","","13.624","","24.035","","90","","95.88","","90","","1682.72","","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 Br N O -","- C20 H17 Br N O -","- C80 H68 Br4 N4 O4 -","4","2","","Lemay, Jean-Christian; Dong, Yi; Albert, Vincent; Inouye, Monica; Groves, Michael N.; Boukouvalas, John; McBreen, Peter H.","Relative Abundances of Surface Diastereomeric Complexes Formed by Two Chiral Modifiers That Differ by a Methyl Group","ACS Catalysis","2020","","","3034","3041","10.1021/acscatal.9b04682","","","0.71073","MoKα","","0.0614","0.0478","","","0.1178","0.1277","","","","","","1.039","","","","has coordinates","257039","2020-10-21","18:00:00",""
"4517430","9.6783","0.0009","23.209","0.002","14.9411","0.0014","90","","95.11","0.003","90","","3342.8","0.5","297","","297.04","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H30 N2 O -","- C49 H30 N2 O -","- C196 H120 N8 O4 -","4","1","","Wang, Sha-Sha; Rong, Rong; Liu, Yi-Ran; Hu, Xiao; Zhang, He; Yu, Yang; Wei, Ying; Xie, Ling-Hai; Huang, Wei","The Dimensionality Transition between Three-Dimensional and Two-Dimensional Organic Microcrystals: Specific Symmetry and Selective Adhesion.","ACS omega","2020","5","7","3749","3754","10.1021/acsomega.9b03962","","x-ray","0.71073","MoKα","","0.1708","0.0622","","","0.1135","0.1471","","","","","","0.983","","","","has coordinates","248693","2020-10-21","18:00:00",""
"4517431","12.4934","0.0003","24.7612","0.0006","13.0442","0.0003","90","","95.7511","0.0013","90","","4014.93","0.17","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H51 Cl F3 N7 O3 S Zn -","- C37 H51 Cl F3 N7 O3 S Zn -","- C148 H204 Cl4 F12 N28 O12 S4 Zn4 -","4","1","","Drummond, Michael J.; Miller, Tabitha J.; Ford, Courtney L.; Fout, Alison R.","Catalytic Perchlorate Reduction Using Iron: Mechanistic Insights and Improved Catalyst Turnover","ACS Catalysis","2020","","","3175","3182","10.1021/acscatal.9b05029","","","0.71073","MoKα","","0.0684","0.0434","","","0.0821","0.0917","","","","","","1.034","","","","has coordinates,has disorder","257016","2020-10-21","18:00:00",""
"4517432","13.7445","0.0011","17.581","0.0012","7.2542","0.0006","90","","101.283","0.008","90","","1719","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F4 O4 -","- C18 H14 F4 O4 -","- C72 H56 F16 O16 -","4","1","","Liu, Guangyuan; Zhang, Xingxing; Kuang, Guanghua; Lu, Naihao; Fu, Yang; Peng, Yiyuan; Xiao, Qiang; Zhou, Yirong","Phosphine-Free Ru-Catalyzed Regio- and Stereoselective Addition of Benzoic Acids to Trifluoromethylated Alkynes toward Facile Access to Trifluoromethyl Group-Substituted (E)-Enol Esters","ACS Omega","2020","5","8","4158","4166","10.1021/acsomega.9b03936","","x-ray","0.71073","MoKα","","0.0951","0.0571","","","0.1151","0.1334","","","","","","1.032","","","","has coordinates","257066","2020-10-21","18:00:00",""
"4517433","9.7229","0.0001","9.7229","0.0001","58.2467","0.0008","90","","90","","120","","4768.63","0.1","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- K2 Mo15 Se19 -","- K2 Mo15 Se19 -","- K12 Mo90 Se114 -","6","0.166667","","Daigre, Gilles; Gougeon, Patrick; Gall, Philippe; Merdrignac-Conanec, Odile; Al Rahal Al Orabi, Rabih; Gautier, Régis; Dauscher, Anne; Candolfi, Christophe; Lenoir, Bertrand","Unravelling the Beneficial Influence of Ag insertion on the Thermoelectric Properties of the Cluster Compound K2Mo15Se19","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.9b02488","","","0.71069","MoKα","","0.0662","0.031","","","0.052","0.0588","","","","","","1.058","","","","has coordinates","248371","2020-10-21","18:00:00",""
"4517434","9.9615","0.0001","9.9615","0.0001","57.5198","0.0009","90","","90","","120","","4943.08","0.1","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ag2.19 K2 Mo15 Se19 -","- Ag2.2182 K2 Mo15 Se19 -","- Ag13.3092 K12 Mo90 Se114 -","6","0.166667","","Daigre, Gilles; Gougeon, Patrick; Gall, Philippe; Merdrignac-Conanec, Odile; Al Rahal Al Orabi, Rabih; Gautier, Régis; Dauscher, Anne; Candolfi, Christophe; Lenoir, Bertrand","Unravelling the Beneficial Influence of Ag insertion on the Thermoelectric Properties of the Cluster Compound K2Mo15Se19","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.9b02488","","","0.71069","MoKα","","0.0551","0.0296","","","0.0485","0.0549","","","","","","1.14","","","","has coordinates","248372","2020-10-21","18:00:00",""
"4517435","18.4403","0.0012","25.068","0.0017","25.5947","0.0017","90","","90","","90","","11831.4","1.4","110.15","","110.15","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C94 H88 B Br2 Co F24 N6 O8 S2 -","- C94 H88 B Br2 Co F24 N6 O8 S2 -","- C376 H352 B4 Br8 Co4 F96 N24 O32 S8 -","4","1","","Kabes, Connor Q.; Maximuck, William J.; Ghosh, Subrata K.; Kumar, Anil; Bhuvanesh, Nattamai; Gladysz, John A.","Chiral Tricationic Tris(1,2-diphenylethylenediamine) Cobalt(III) Hydrogen Bond Donor Catalysts with Defined Carbon/Metal Configurations; Matched/Mismatched Effects upon Enantioselectivities with Enantiomeric Chiral Counter Anions","ACS Catalysis","2020","","","3249","3263","10.1021/acscatal.9b05496","","","0.8857","","","0.0777","0.0572","","","0.1477","0.1593","","","","","","1.016","","","","has coordinates","257022","2020-10-21","18:00:00",""
"4517436","6.2697","0.0003","10.8812","0.0005","27.9823","0.0013","90","","90","","90","","1909","0.15","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 B F3 N O4 -","- C18 H23 B F3 N O4 -","- C72 H92 B4 F12 N4 O16 -","4","1","","Fan, Dongyang; Zhang, Jian; Hu, Yanhua; Zhang, Zhenfeng; Gridnev, Ilya D.; Zhang, Wanbin","Asymmetric Hydrogenation of α-Boryl Enamides Enabled by Nonbonding Interactions","ACS Catalysis","2020","","","3232","3240","10.1021/acscatal.9b04543","","","1.54178","CuKα","","0.0457","0.0432","","","0.1148","0.118","","","","","","1.029","","","","has coordinates","257023","2020-10-21","18:00:00",""
"4517437","8.3309","0.0019","6.6556","0.0018","10.916","0.003","90","","96.337","0.008","90","","601.6","0.3","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 N O S -","- C14 H15 N O S -","- C28 H30 N2 O2 S2 -","2","1","","Kim, Alexia N.; Ngamnithiporn, Aurapat; Welin, Eric R.; Daiger, Martin T.; Grünanger, Christian U.; Bartberger, Michael D.; Virgil, Scott C.; Stoltz, Brian M.","Iridium-Catalyzed Enantioselective and Diastereoselective Hydrogenation of 1,3-Disubstituted Isoquinolines","ACS Catalysis","2020","","","3241","3248","10.1021/acscatal.0c00211","","","0.71073","MoKα","","0.0484","0.0383","","","0.0909","0.096","","","","","","1.058","","","","has coordinates,has disorder","257024","2020-10-21","18:00:00",""
"4517438","7.0246","0.0004","17.2258","0.0011","27.7","0.002","90","","95.667","0.004","90","","3335.4","0.4","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H48 N2 S -","- C36 H48 N2 S -","- C144 H192 N8 S4 -","4","2","","Echeverri, Marcelo; Ruiz, Constanza; Gámez-Valenzuela, Sergio; Alonso-Navarro, Matias; Gutierrez-Puebla, Enrique; Serrano, José L; Ruiz Delgado, M. Carmen; Gómez-Lor, Berta","Stimuli-Responsive Benzothiadiazole Derivative as a Dopant for Rewritable Polymer Blends.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b21209","","x-ray","1.54178","CuKα","","0.1696","0.1002","","","0.2558","0.3358","","","","","","1.037","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4517439","11.3197","0.0003","15.6008","0.0004","16.353","0.0005","90","","102.492","0.0014","90","","2819.51","0.14","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 O3 -","- C19 H14 O3 -","- C152 H112 O24 -","8","2","","Rajesh, U. Chinna; Losovyj, Yaroslav; Chen, Chun-Hsing; Zaleski, Jeffrey M.","Designing Synergistic Nanocatalysts for Multiple Substrate Activation: Interlattice Ag‒Fe3O4 Hybrid Materials for CO2-Inserted Lactones","ACS Catalysis","2020","","","3349","3359","10.1021/acscatal.9b04260","","","0.71073","MoKα","","0.0667","0.0437","","0.11","0.0971","0.1099","","","","","","0.9862","","","","has coordinates","257030","2020-10-21","18:00:00",""
"4517440","15.2434","0.0007","7.8592","0.0002","15.5165","0.0009","90","","105.045","0.005","90","","1795.17","0.15","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H43 N3 O9 -","- C31.0006 H43.0015 N3 O9 -","- C62.0012 H86.003 N6 O18 -","2","1","","Hilton, Margaret J.; Brackett, Christopher M.; Mercado, Brandon Q.; Blagg, Brian S. J.; Miller, Scott J.","Catalysis-Enabled Access to Cryptic Geldanamycin Oxides","ACS Central Science","2020","","","","","10.1021/acscentsci.0c00024","","","1.54184","CuKα","","0.1318","0.091","","","0.2251","0.2609","","","","","","1.048","","","","has coordinates,has disorder","248416","2020-10-21","18:00:00",""
"4517441","8.1886","0.0002","18.757","0.0003","20.4466","0.0004","90","","90","","90","","3140.47","0.11","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 N2 O10 -","- C29 H40 N2 O10 -","- C116 H160 N8 O40 -","4","1","","Hilton, Margaret J.; Brackett, Christopher M.; Mercado, Brandon Q.; Blagg, Brian S. J.; Miller, Scott J.","Catalysis-Enabled Access to Cryptic Geldanamycin Oxides","ACS Central Science","2020","","","","","10.1021/acscentsci.0c00024","","","1.54184","CuKα","","0.041","0.0365","","","0.0941","0.0968","","","","","","1.037","","","","has coordinates","248417","2020-10-21","18:00:00",""
"4517442","12.5726","0.0004","7.5849","0.0002","16.0036","0.0004","90","","99.298","0.003","90","","1506.08","0.07","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H40 N2 O10 -","- C29 H40 N2 O10 -","- C58 H80 N4 O20 -","2","1","","Hilton, Margaret J.; Brackett, Christopher M.; Mercado, Brandon Q.; Blagg, Brian S. J.; Miller, Scott J.","Catalysis-Enabled Access to Cryptic Geldanamycin Oxides","ACS Central Science","2020","","","","","10.1021/acscentsci.0c00024","","","1.54184","CuKα","","0.0651","0.0596","","","0.1511","0.1558","","","","","","1.064","","","","has coordinates","248418","2020-10-21","18:00:00",""
"4517443","16.1463","0.0003","7.8473","0.0001","30.1019","0.0005","90","","103.866","0.002","90","","3702.91","0.11","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H40 N2 O10 -","- C29 H40 N2 O10 -","- C116 H160 N8 O40 -","4","2","","Hilton, Margaret J.; Brackett, Christopher M.; Mercado, Brandon Q.; Blagg, Brian S. J.; Miller, Scott J.","Catalysis-Enabled Access to Cryptic Geldanamycin Oxides","ACS Central Science","2020","","","","","10.1021/acscentsci.0c00024","","","1.54184","CuKα","","0.0383","0.0372","","","0.1054","0.1064","","","","","","1.056","","","","has coordinates,has disorder","248419","2020-10-21","18:00:00",""
"4517444","20.7812","0.001","16.1138","0.0007","36.3151","0.0016","90","","103.015","0.002","90","","11848.2","0.9","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H36 N4 O16 S2 Zn2 -","- C53 H36 N4 O16 S2 Zn2 -","- C424 H288 N32 O128 S16 Zn16 -","8","1","","Chakraborty, Gouri; Das, Prasenjit; Mandal, Sanjay K.","Polar Sulfone-functionalised Oxygen-rich Metal Organic Frameworks for Highly Selective CO2 Capture and Sensitive Detection of Acetylacetone at ppb Level.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b22658","","","0.71073","MoKα","","0.0805","0.0663","","","0.1656","0.1747","","","","","","1.03","","","","has coordinates","248441","2020-10-21","18:00:00",""
"4517445","15.1979","0.0009","29.42","0.0018","32.182","0.002","90","","90","","90","","14389.3","1.5","100","2","100","","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C53 H36 Cd2 N4 O16 S2 -","- C53 H36 Cd2 N4 O16 S2 -","- C424 H288 Cd16 N32 O128 S16 -","8","0.5","","Chakraborty, Gouri; Das, Prasenjit; Mandal, Sanjay K.","Polar Sulfone-functionalised Oxygen-rich Metal Organic Frameworks for Highly Selective CO2 Capture and Sensitive Detection of Acetylacetone at ppb Level.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b22658","","","0.71073","MoKα","","0.0442","0.0363","","","0.1013","0.1082","","","","","","1.059","","","","has coordinates","248442","2020-10-21","18:00:00",""
"4517446","14.4073","0.0005","14.9016","0.0004","16.512","0.0005","104.953","0.001","111.191","0.001","99.539","0.001","3058.53","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Complex_6d","","","- C56 H99 B3 Ir N2 O7 Si2 -","- C56 H99 B3 Ir N2 O7 Si2 -","- C112 H198 B6 Ir2 N4 O14 Si4 -","2","1","","Larsen, Matthew A.; Oeschger, Raphael J.; Hartwig, John F.","Effect of Ligand Structure on the Electron Density and Activity of Iridium Catalysts for the Borylation of Alkanes","ACS Catalysis","2020","","","3415","3424","10.1021/acscatal.0c00152","","","0.71073","MoKα","","0.0441","0.0357","","","0.0769","0.0814","","","","","","1.055","","","","has coordinates,has disorder","257029","2020-10-21","18:00:00",""
"4517447","10.69","0.0005","11.3617","0.0005","11.7062","0.0005","62.2925","0.0014","85.46","0.0017","73.2316","0.0016","1202.7","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","lm1mfm579F(619) - 19MCD00","","","- C43 H48 Cl2 N6 O12 Pd2 S2 -","- C43 H48 Cl2 N6 O12 Pd2 S2 -","- C43 H48 Cl2 N6 O12 Pd2 S2 -","1","0.5","","Cendón, Borja; Font, Marc; Mascareñas, José L.; Gul\?ías, Moisés","Palladium-Catalyzed Formal (4+2) Cycloaddition between Alkyl Amides and Dienes Initiated by the Activation of C(sp3)‒H Bonds","ACS Catalysis","2020","","","3425","3430","10.1021/acscatal.0c00664","","","0.71073","MoKα","","0.0553","0.0417","","","0.0704","0.0757","","","","","","1.116","","","","has coordinates,has disorder","256988","2020-10-21","18:00:00",""
"4517448","22.973","0.002","6.9135","0.0007","25.839","0.003","90","","106.258","0.003","90","","3939.7","0.7","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 N2 O5 S -","- C21 H22 N2 O5 S -","- C168 H176 N16 O40 S8 -","8","1","","Cendón, Borja; Font, Marc; Mascareñas, José L.; Gul\?ías, Moisés","Palladium-Catalyzed Formal (4+2) Cycloaddition between Alkyl Amides and Dienes Initiated by the Activation of C(sp3)‒H Bonds","ACS Catalysis","2020","","","3425","3430","10.1021/acscatal.0c00664","","","0.71073","MoKα","","0.0578","0.04","","","0.0883","0.095","","","","","","1.023","","","","has coordinates","256988","2020-10-21","18:00:00",""
"4517449","6.5642","0.0009","18.183","0.003","18.879","0.003","89.513","0.007","86.524","0.006","85.366","0.006","2241.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 N4 O5 Pd S -","- C21 H22 N4 O5 Pd S -","- C84 H88 N16 O20 Pd4 S4 -","4","2","","Cendón, Borja; Font, Marc; Mascareñas, José L.; Gul\?ías, Moisés","Palladium-Catalyzed Formal (4+2) Cycloaddition between Alkyl Amides and Dienes Initiated by the Activation of C(sp3)‒H Bonds","ACS Catalysis","2020","","","3425","3430","10.1021/acscatal.0c00664","","x-ray","0.71073","MoKα","","0.067","0.0473","","","0.0978","0.1066","","","","","","1.136","","","","has coordinates","256988","2020-10-21","18:00:00",""
"4517450","9.0308","0.0005","11.8072","0.0006","11.9867","0.0006","97.855","0.016","105.716","0.017","105.33","0.016","1156.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H25 Cl2 N3 O Pd -","- C25 H25 Cl2 N3 O Pd -","- C50 H50 Cl4 N6 O2 Pd2 -","2","1","","Cendón, Borja; Font, Marc; Mascareñas, José L.; Gul\?ías, Moisés","Palladium-Catalyzed Formal (4+2) Cycloaddition between Alkyl Amides and Dienes Initiated by the Activation of C(sp3)‒H Bonds","ACS Catalysis","2020","","","3425","3430","10.1021/acscatal.0c00664","","","0.71073","MoKα","","0.0326","0.0269","","","0.0593","0.0624","","","","","","1.078","","","","has coordinates","256988","2020-10-21","18:00:00",""
"4517451","7.555","0.009","7.727","0.009","8.337","0.009","105.747","0.018","96.866","0.019","115.116","0.017","408.5","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H5 Mo O8 -","- C4 H5 Mo O8 -","- C8 H10 Mo2 O16 -","2","1","","Barber, Greg D.; George, Christy; Hogg, Kathryn; Johnstone, Shae T.; Pacheco, Carlos N.; Yennawar, Hemant P.; Van Der Sluys, William G.","Hydrothermal Synthesis and Structure of a Dinuclear Molybdenum(III) Hydroxy Squarate with a Mo‒Mo Bond","ACS Omega","2020","","","","","10.1021/acsomega.0c00083","","","0.71073","MoKα","","0.0398","0.0374","","","0.0987","0.1005","","","","","","1.121","","","","has coordinates","248528","2020-10-21","18:00:00",""
"4517452","7.489","0.004","7.545","0.004","8.142","0.004","106.303","0.009","95.252","0.01","113.775","0.01","393","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H5 Cr O8 -","- C4 H5 Cr O8 -","- C8 H10 Cr2 O16 -","2","1","","Barber, Greg D.; George, Christy; Hogg, Kathryn; Johnstone, Shae T.; Pacheco, Carlos N.; Yennawar, Hemant P.; Van Der Sluys, William G.","Hydrothermal Synthesis and Structure of a Dinuclear Molybdenum(III) Hydroxy Squarate with a Mo‒Mo Bond","ACS Omega","2020","","","","","10.1021/acsomega.0c00083","","","0.71073","MoKα","","0.0489","0.0463","","","0.1281","0.1316","","","","","","1.087","","","","has coordinates","248528","2020-10-21","18:00:00",""
"4517453","23.9369","0.0006","9.0172","0.0002","33.4311","0.0008","90","","90","","90","","7215.9","0.3","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C38 H31 F6 Ir N4 O P -","- C38 H31 F6 Ir N4 O P -","- C304 H248 F48 Ir8 N32 O8 P8 -","8","2","","Lin, Nan; Ou, Hui-Dan; Xu, Qiyan; Jin, Yan; Deng, Wei; Yao, Zi-Jian","An Efficient Probe of Cyclometallated Phosphorescent Iridium Complex for Selective Detection of Cyanide","ACS Omega","2020","","","","","10.1021/acsomega.9b04364","","","1.34138","GaKα","","0.0512","0.0393","","","0.0882","0.0933","","","","","","1.014","","","","has coordinates","248529","2020-10-21","18:00:00",""
"4517454","16.045","0.003","34.887","0.007","16.55","0.003","90","","114.68","0.03","90","","8418","3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C104.5 H98 N4 S3 -","- C104.5 H98 N4 S3 -","- C418 H392 N16 S12 -","4","2","","Li, Panpan; Chan, Chin-Yiu; Lai, Shiu-Lun; Chan, Hing; Leung, Ming-Yi; Hong, Eugene Yau-Hin; Li, Jingwen; Wu, Hongbin; Chan, Mei-Yee; Yam, Vivian Wing-Wah","Three-Dimensional Spirothienoquinoline-Based Small Molecules for Organic Photovoltaic and Organic Resistive Memory Applications.","ACS applied materials & interfaces","2020","12","10","11865","11875","10.1021/acsami.9b19746","","","0.71","synchrotron","","0.0679","0.0647","","","0.1759","0.1813","","","","","","1.042","","","","has coordinates,has disorder","250037","2020-10-21","18:00:00",""
"4517455","10.2207","0.0011","11.4378","0.0015","12.3943","0.0012","90","","90","","90","","1448.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Br O4 -","- C15 H15 Br O4 -","- C60 H60 Br4 O16 -","4","1","","Chen, Jun-Bo; Xu, Man; Zhang, Jun-Qi; Sun, Bing-Bing; Hu, Jia-Ming; Yu, Jie-Qiang; Wang, Xing-Wang; Xia, Yuanzhi; Wang, Zheng","Modular Chiral Bisoxalamide‒Copper-Catalyzed Asymmetric Oxo-Diels‒Alder Reaction: Carbonyl Coordination for High Enantio- and Diastereocontrols","ACS Catalysis","2020","","","3556","","10.1021/acscatal.9b05606","","x-ray","0.71073","MoKα","","0.1188","0.0606","","","0.1082","0.1291","","","","","","1.021","","","","has coordinates","248590","2020-10-21","18:00:00",""
"4517456","12.5285","0.0004","16.597","0.0006","14.9439","0.0005","90","","93.876","0.001","90","","3100.26","0.18","120","2","120.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C61 H86 Cl2 N8 O8 -","- C61 H86 Cl2 N8 O8 -","- C122 H172 Cl4 N16 O16 -","2","1","","Chen, Jun-Bo; Xu, Man; Zhang, Jun-Qi; Sun, Bing-Bing; Hu, Jia-Ming; Yu, Jie-Qiang; Wang, Xing-Wang; Xia, Yuanzhi; Wang, Zheng","Modular Chiral Bisoxalamide‒Copper-Catalyzed Asymmetric Oxo-Diels‒Alder Reaction: Carbonyl Coordination for High Enantio- and Diastereocontrols","ACS Catalysis","2020","","","3556","","10.1021/acscatal.9b05606","","","0.71073","MoKα","","0.077","0.0517","","","0.1089","0.1252","","","","","","1.03","","","","has coordinates,has disorder","248591","2020-10-21","18:00:00",""
"4517457","21.059","0.002","5.9199","0.0006","13.2305","0.0018","90","","99.636","0.005","90","","1626.1","0.3","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 -","- C20 H26 -","- C80 H104 -","4","1","","Mato, Mauro; García-Morales, Cristina; Echavarren, Antonio M.","Synthesis of Trienes by Rhodium-Catalyzed Assembly and Disassembly of Non-Acceptor Cyclopropanes","ACS Catalysis","2020","","","3564","","10.1021/acscatal.0c00006","","","0.71073","MoKα","","0.0877","0.0594","","","0.1429","0.1594","","","","","","1.017","","","","has coordinates","248592","2020-10-21","18:00:00",""
"4517458","25.487","0.005","9.845","0.002","26.272","0.005","90","","110.11","0.03","90","","6190","2","113","2","113.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O4 -","- C24 H25 N O4 -","- C288 H300 N12 O48 -","12","6","","Feng, Jiaxu; Huang, You","Phosphine-Catalyzed Remote 1,7-Addition for Synthesis of Diene Carboxylates","ACS Catalysis","2020","","","3541","","10.1021/acscatal.0c00588","","","0.71073","MoKα","","0.1431","0.0534","","","0.1181","0.1606","","","","","","0.944","","","","has coordinates","248593","2020-10-21","18:00:00",""
"4517459","13.199","0.003","17.845","0.004","8.5547","0.0017","90","","98.41","0.03","90","","1993.3","0.8","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C88 H92 N4 O20 -","4","1","","Feng, Jiaxu; Huang, You","Phosphine-Catalyzed Remote 1,7-Addition for Synthesis of Diene Carboxylates","ACS Catalysis","2020","","","3541","","10.1021/acscatal.0c00588","","","0.71073","MoKα","","0.075","0.0488","","","0.1064","0.1211","","","","","","0.982","","","","has coordinates","248594","2020-10-21","18:00:00",""
"4517460","10.6172","0.0014","12.2394","0.0016","12.8906","0.0017","97.354","0.004","90.322","0.005","94.404","0.004","1656.2","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H45 Cl N6 O6 -","- C31 H45 Cl N6 O6 -","- C62 H90 Cl2 N12 O12 -","2","1","","Singh, Harpreet; Devi, Manisha; Jena, Nityasagar; Iqbal, Mohamed Musthafa; Nailwal, Yogendra; De Sarkar, Abir; Pal, Santanu Kumar","Proton Triggered Fluorescence Switching in Self-Exfoliated Ionic Covalent Organic Nanosheets for Applications in Selective Detection of Anions.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b20743","","","0.71073","MoKα","","0.093","0.0592","","","0.1435","0.1623","","","","","","1.023","","","","has coordinates","248791","2020-10-21","18:00:00",""
"4517461","9.3619","0.0003","10.2474","0.0003","11.0622","0.0003","73.881","0.001","65.949","0.001","83.137","0.001","931","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 F2 N O2 -","- C24 H17 F2 N O2 -","- C48 H34 F4 N2 O4 -","2","1","","Luo, Kaixiu; Mao, Shuai; He, Kun; Yu, Xianglin; Pan, Junhong; Lin, Jun; Shao, Zhihui; Jin, Yi","Highly Regioselective Synthesis of Multisubstituted Pyrroles via Ag-Catalyzed [4+1C]insert Cascade","ACS Catalysis","2020","","","3733","","10.1021/acscatal.9b05360","","","1.54178","CuKα","","0.0451","0.0407","","","0.1349","0.1434","","","","","","1.158","","","","has coordinates","249124","2020-10-21","18:00:00",""
"4517462","17.623","0.01","8.753","0.005","12.749","0.007","90","","99.38","0.008","90","","1940.3","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C96 H84 N4 O12 -","4","1","","Luo, Kaixiu; Mao, Shuai; He, Kun; Yu, Xianglin; Pan, Junhong; Lin, Jun; Shao, Zhihui; Jin, Yi","Highly Regioselective Synthesis of Multisubstituted Pyrroles via Ag-Catalyzed [4+1C]insert Cascade","ACS Catalysis","2020","","","3733","","10.1021/acscatal.9b05360","","","0.71073","MoKα","","0.0646","0.0421","","","0.111","0.1257","","","","","","1.038","","","","has coordinates","249125","2020-10-21","18:00:00",""
"4517463","9.984","0.0009","5.4028","0.0003","12.6101","0.001","90","","111.475","0.006","90","","632.99","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","ent-14","ent-14","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C30 H32 N4 O4 -","2","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54178","CuKα","","0.049","0.0417","","","0.0984","0.1019","","","","","","1.036","","","","has coordinates","249127","2020-10-21","18:00:00",""
"4517464","9.6081","0.0004","5.9379","0.0002","13.0825","0.0005","90","","102.38","0.002","90","","729.03","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","ent-30","ent-30","","- C17 H16 N4 O -","- C17 H16 N4 O -","- C34 H32 N8 O2 -","2","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54178","CuKα","","0.0273","0.0261","","","0.0663","0.0674","","","","","","1.04","","","","has coordinates","249128","2020-10-21","18:00:00",""
"4517465","6.8163","0.0001","9.5313","0.0002","15.3468","0.0002","73.148","0.002","77.834","0.001","89.575","0.002","931.27","0.03","90","2","90","2","","","","","","","","5","P 1","P 1","1","8","8","","- C38 H55 Cl N4 O5 -","- C38 H55 Cl N4 O5 -","- C38 H55 Cl N4 O5 -","1","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54184","CuKα","","0.0429","0.042","","","0.1122","0.1136","","","","","","1.053","","","","has coordinates","249129","2020-10-21","18:00:00",""
"4517466","5.3519","0.0002","10.567","0.0004","26.7767","0.0011","90","","90","","90","","1514.32","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ent-22","ent-22","","- C19 H17 N3 O -","- C19 H17 N3 O -","- C76 H68 N12 O4 -","4","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54178","CuKα","","0.0424","0.0408","","","0.0951","0.0961","","","","","","1.079","","","","has coordinates","249130","2020-10-21","18:00:00",""
"4517467","13.777","0.006","5.073","0.002","15.86","0.006","90","","103.272","0.007","90","","1078.9","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","20","20","","- C27 H25 N3 O4 -","- C27 H25 N3 O4 -","- C54 H50 N6 O8 -","2","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54178","CuKα","","0.065","0.0394","","","0.0774","0.0875","","","","","","1.024","","","","has coordinates","249131","2020-10-21","18:00:00",""
"4517468","16.3071","0.0003","4.7352","0.0001","19.7305","0.0004","90","","97.866","0.001","90","","1509.2","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","7","7","","- C18 H22 N2 O -","- C18 H22 N2 O -","- C72 H88 N8 O4 -","4","2","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54178","CuKα","","0.0323","0.0299","","","0.0738","0.0753","","","","","","1.048","","","","has coordinates","249132","2020-10-21","18:00:00",""
"4517469","5.7224","0.0003","9.4414","0.0005","23.8273","0.0012","90","","90","","90","","1287.33","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ent-13","ent-13","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54178","CuKα","","0.0306","0.0304","","","0.0778","0.078","","","","","","1.086","","","","has coordinates","249133","2020-10-21","18:00:00",""
"4517470","9.8446","0.0008","5.8701","0.0005","13.6268","0.0011","90","","101.772","0.006","90","","770.91","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","ent-21","ent-21","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C40 H36 N4 O2 -","2","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54178","CuKα","","0.0373","0.0313","","","0.0656","0.069","","","","","","1.05","","","","has coordinates","249134","2020-10-21","18:00:00",""
"4517471","5.7576","0.0003","6.6825","0.0004","29.3671","0.0016","90","","90","","90","","1129.9","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ent-12","ent-12","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C56 H56 N8 O4 -","4","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54178","CuKα","","0.0339","0.0331","","","0.0821","0.0825","","","","","","1.05","","","","has coordinates","249135","2020-10-21","18:00:00",""
"4517472","10.7972","0.0005","4.7321","0.0001","13.9575","0.0006","90","","111.019","0.005","90","","665.69","0.05","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","9","9","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C32 H36 N4 O2 -","2","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54184","CuKα","","0.0289","0.0285","","","0.0773","0.0777","","","","","","1.061","","","","has coordinates","249136","2020-10-21","18:00:00",""
"4517473","8.8961","0.0004","8.1587","0.0003","17.989","0.0007","90","","94.847","0.002","90","","1300.98","0.09","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H22 Br2 I4 N2 Pb -","- C16 H22 Br2 I4 N2 Pb -","- C32 H44 Br4 I8 N4 Pb2 -","2","1","","Straus, Daniel B.; Hurtado Parra, Sebastian; Iotov, Natasha; Zhao, Qinghua; Gau, Michael R.; Carroll, Patrick J.; Kikkawa, James M.; Kagan, Cherie R.","Tailoring Hot Exciton Dynamics in 2D Hybrid Perovskites through Cation Modification.","ACS nano","2020","","","","","10.1021/acsnano.0c00037","","","0.71073","MoKα","","0.0419","0.0324","","","0.0608","0.064","","","","","","0.979","","","","has coordinates","249137","2020-10-21","18:00:00",""
"4517474","32.8889","0.0014","6.179","0.0003","6.0988","0.0003","90","","89.989","0.002","90","","1239.4","0.1","100","","100","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H22 F2 I4 N2 Pb -","- C16 H21.9984 F2 I4 N2 Pb -","- C32 H43.9968 F4 I8 N4 Pb2 -","2","0.25","","Straus, Daniel B.; Hurtado Parra, Sebastian; Iotov, Natasha; Zhao, Qinghua; Gau, Michael R.; Carroll, Patrick J.; Kikkawa, James M.; Kagan, Cherie R.","Tailoring Hot Exciton Dynamics in 2D Hybrid Perovskites through Cation Modification.","ACS nano","2020","","","","","10.1021/acsnano.0c00037","","","0.71073","MoKα","","0.0597","0.0494","","","0.0866","0.0904","","","","","","1.272","","","","has coordinates,has disorder","249138","2020-10-21","18:00:00",""
"4517475","33.2779","0.0018","6.1691","0.0003","6.1839","0.0003","90","","90.255","0.003","90","","1269.51","0.11","100","","100","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H22 Cl2 I4 N2 Pb -","- C16 H22 Cl2 I4 N2 Pb -","- C32 H44 Cl4 I8 N4 Pb2 -","2","0.25","","Straus, Daniel B.; Hurtado Parra, Sebastian; Iotov, Natasha; Zhao, Qinghua; Gau, Michael R.; Carroll, Patrick J.; Kikkawa, James M.; Kagan, Cherie R.","Tailoring Hot Exciton Dynamics in 2D Hybrid Perovskites through Cation Modification.","ACS nano","2020","","","","","10.1021/acsnano.0c00037","","","0.71073","MoKα","","0.064","0.0493","","","0.0853","0.089","","","","","","1.211","","","","has coordinates,has disorder","249139","2020-10-21","18:00:00",""
"4517476","15.7036","0.0016","13.5822","0.0014","9.9735","0.001","90","","97.264","0.007","90","","2110.2","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Br O -","- C23 H33 Br O -","- C92 H132 Br4 O4 -","4","1","","Takahashi, Toshifumi; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-Catalyzed Intermolecular Carbobromination of Alkynes","ACS Catalysis","2020","10","6","3773","3777","10.1021/acscatal.0c00980","","","0.71075","MoKα","","","0.0604","","","","0.1311","","","","","","1.035","","","","has coordinates","256994","2020-10-21","18:00:00",""
"4517477","9.0497","0.0003","11.0964","0.0005","17.4034","0.0005","80.749","0.003","86.494","0.002","89.645","0.003","1721.66","0.11","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 Br O -","- C20 H21 Br O -","- C80 H84 Br4 O4 -","4","2","","Takahashi, Toshifumi; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-Catalyzed Intermolecular Carbobromination of Alkynes","ACS Catalysis","2020","10","6","3773","3777","10.1021/acscatal.0c00980","","x-ray","1.54184","CuKα","","0.0932","0.0868","","","0.2355","0.2403","","","","","","1.083","","","","has coordinates","256994","2020-10-21","18:00:00",""
"4517478","14.7609","0.001","16.1284","0.0012","20.1218","0.0014","73.575","0.002","89.177","0.003","66.103","0.004","4173.5","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","Gross184b (Woormi)","","","- C93 H27 F30 Fe2 N13 -","- C93 H27 F30 Fe2 N13 -","- C186 H54 F60 Fe4 N26 -","2","1","","Sinha, Woormileela; Mahammed, Atif; Fridman, Natalia; Gross, Zeev","Water Oxidation Catalysis by Mono- and Binuclear Iron Corroles","ACS Catalysis","2020","","","3764","","10.1021/acscatal.9b05382","","","0.71073","MoKα","","0.0841","0.0539","","","0.1564","0.1721","","","","","","0.968","","","","has coordinates,has disorder","249199","2020-10-21","18:00:00",""
"4517479","36.007","0.011","12.107","0.009","18.503","0.005","90","","90.893","0.009","90","","8065","7","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Gross140 (Woormi)","","","- C51 H27 Co F6 N6 -","- C51 H27 Co F6 N6 -","- C408 H216 Co8 F48 N48 -","8","1","","Sinha, Woormileela; Mahammed, Atif; Fridman, Natalia; Gross, Zeev","Water Oxidation Catalysis by Mono- and Binuclear Iron Corroles","ACS Catalysis","2020","","","3764","","10.1021/acscatal.9b05382","","","0.71073","MoKα","","0.0742","0.0534","","","0.1465","0.1605","","","","","","1.086","","","","has coordinates","249200","2020-10-21","18:00:00",""
"4517480","15.257","0.0004","17.202","0.0005","25.355","0.001","83.153","0.001","79.357","0.001","71.301","0.001","6181.9","0.3","200","2","200.15","","","","","","","","","5","P -1","-P 1","2","Gross143 (Woormi)","","","- C156 H92 Fe4 N16 O2 -","- C156 H92 Fe4 N16 O2 -","- C312 H184 Fe8 N32 O4 -","2","1","","Sinha, Woormileela; Mahammed, Atif; Fridman, Natalia; Gross, Zeev","Water Oxidation Catalysis by Mono- and Binuclear Iron Corroles","ACS Catalysis","2020","","","3764","","10.1021/acscatal.9b05382","","","0.71073","MoKα","","0.1915","0.0913","","","0.1951","0.2375","","","","","","1.012","","","","has coordinates","249201","2020-10-21","18:00:00",""
"4517481","9.6626","0.0011","10.1376","0.0012","11.1294","0.0015","97.909","0.011","105.084","0.011","114.113","0.011","923.2","0.2","100.01","0.12","100.01","0.12","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N4 O -","- C21 H24 N4 O -","- C42 H48 N8 O2 -","2","1","","Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai","Alkynyl Triazenes as Fluoroalkyne Surrogates: Regioselective Access to 4-Fluoro-2-pyridones by a Rh(III)-Catalyzed C‒H Activation‒Lossen Rearrangement‒Wallach Reaction","ACS Catalysis","2020","10","6","3790","3796","10.1021/acscatal.0c00499","","x-ray","0.71073","MoKα","","0.0974","0.0683","","","0.1658","0.1834","","","","","","1.06","","","","has coordinates","256996","2020-10-21","18:00:00",""
"4517482","10.2367","0.0003","11.4102","0.0004","13.7829","0.0005","109.851","0.003","92.169","0.003","112.466","0.003","1373.04","0.1","140","0.11","140","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 F N O -","- C18 H14 F N O -","- C72 H56 F4 N4 O4 -","4","2","","Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai","Alkynyl Triazenes as Fluoroalkyne Surrogates: Regioselective Access to 4-Fluoro-2-pyridones by a Rh(III)-Catalyzed C‒H Activation‒Lossen Rearrangement‒Wallach Reaction","ACS Catalysis","2020","10","6","3790","3796","10.1021/acscatal.0c00499","","x-ray","1.54184","CuKα","","0.0443","0.0405","","","0.1127","0.1177","","","","","","1.023","","","","has coordinates","256996","2020-10-21","18:00:00",""
"4517483","15.294","0.0008","15.9747","0.0008","22.8893","0.0012","90","","109.52","","90","","5270.8","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H58 Co O5 P3 -","- C61 H58 Co O5 P3 -","- C244 H232 Co4 O20 P12 -","4","1","","Chen, Jia-Feng; Li, Changkun","Cobalt-Catalyzed gem-Cross-Dimerization of Terminal Alkynes","ACS Catalysis","2020","","","3881","","10.1021/acscatal.9b05078","","","1.54178","CuKα","","0.0416","0.0382","","","0.1101","0.1138","","","","","","1.043","","","","has coordinates","249230","2020-10-21","18:00:00",""
"4517484","11.1714","0.0003","19.5049","0.0005","22.2984","0.0006","90","","90","","90","","4858.8","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C57 H43 Co O6 P3 -","- C57 H43 Co O6 P3 -","- C228 H172 Co4 O24 P12 -","4","1","","Chen, Jia-Feng; Li, Changkun","Cobalt-Catalyzed gem-Cross-Dimerization of Terminal Alkynes","ACS Catalysis","2020","","","3881","","10.1021/acscatal.9b05078","","","1.54178","CuKα","","0.07","0.0683","","","0.2013","0.2036","","","","","","1.05","","","","has coordinates","249231","2020-10-21","18:00:00",""
"4517485","13.8158","0.0012","18.9639","0.0019","18.5497","0.0018","90","","92.904","0.009","90","","4853.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H44 Co N4 O6 -","- C62 H44 Co N4 O6 -","- C248 H176 Co4 N16 O24 -","4","0.5","","Xu, Dandan; Wu, Shijie; Xu, Xinxin; Wang, Qiang","Hybrid Zn Battery with Coordination-Polymer-Derived, Oxygen-Vacancy-Rich Co3O4 as a Cathode Material","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.9b06715","","x-ray","0.71073","MoKα","","0.1925","0.0817","","","0.1369","0.1759","","","","","","1.02","","","","has coordinates","249233","2020-10-21","18:00:00",""
"4517486","17.261","0.002","14.564","0.002","14.563","0.003","90","","120.954","0.002","90","","3139.6","0.9","296","2","296","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C16 H16 Cl Cu12 Mo12 N24 O47 P V3 -","- C16 H16 Cl Cu12 Mo12 N24 O47 P V3 -","- C32 H32 Cl2 Cu24 Mo24 N48 O94 P2 V6 -","2","0.25","","Yang, Xiya; Sha, Jingquan; Li, Wenjing; Tan, Zenglong; Hou, Liran; Jiang, Jianzhuang","Ternary Cross-Vanadium Tetra-Capped POMOFs@PPy/RGO Nanocomposites with Hybrid Battery-Supercapacitor Behavior for Enhancing Lithium Battery Storage","ACS Sustainable Chemistry & Engineering","2020","8","11","4667","4675","10.1021/acssuschemeng.0c01162","","","0.71073","MoKα","","0.071","0.0642","","","0.1966","0.2029","","","","","","1.064","","","","has coordinates","257094","2020-10-21","18:00:00",""
"4517487","14.5374","0.0008","14.5374","0.0008","29.782","0.003","90","","90","","90","","6294","0.8","296","2","296","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C16 H16 Cl Cu12 Mo12 N24 O42 P V2 -","- C16 H16 Cl Cu12 Mo12 N24 O42 P V2 -","- C64 H64 Cl4 Cu48 Mo48 N96 O168 P4 V8 -","4","0.5","","Yang, Xiya; Sha, Jingquan; Li, Wenjing; Tan, Zenglong; Hou, Liran; Jiang, Jianzhuang","Ternary Cross-Vanadium Tetra-Capped POMOFs@PPy/RGO Nanocomposites with Hybrid Battery-Supercapacitor Behavior for Enhancing Lithium Battery Storage","ACS Sustainable Chemistry & Engineering","2020","8","11","4667","4675","10.1021/acssuschemeng.0c01162","","","0.71073","MoKα","","0.108","0.0947","","","0.2358","0.245","","","","","","1.116","","","","has coordinates","257094","2020-10-21","18:00:00",""
"4517488","11.6448","0.0006","12.2417","0.0006","13.6216","0.0007","65.094","0.002","69.132","0.002","87.878","0.002","1630.98","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H51 N2 O32 Sm3 -","- C52 H51 N2 O32 Sm3 -","- C52 H51 N2 O32 Sm3 -","1","0.5","","Zhang, Zhi-Hui; Lan, Jian-Hui; Yuan, Li-Yong; Sheng, Pan-Pan; He, Ming-Yang; Zheng, Li-Rong; Chen, Qun; Chai, Zhi-Fang; Gibson, John K.; Shi, Wei-Qun","Rational Construction of Porous Metal-Organic Frameworks for Uranium(VI) Extraction: The Strong Periodic Tendency with a Metal Node.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02121","","","0.71073","MoKα","","0.0637","0.0408","","","0.1132","0.1221","","","","","","1.108","","","","has coordinates","249283","2020-10-21","18:00:00",""
"4517489","11.6419","0.0004","12.2249","0.0004","13.5781","0.0005","65.04","0.001","68.486","0.002","88.015","0.002","1613.29","0.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H67 Eu3 N2 O40 -","- C52 H67 Eu3 N2 O40 -","- C52 H67 Eu3 N2 O40 -","1","0.5","","Zhang, Zhi-Hui; Lan, Jian-Hui; Yuan, Li-Yong; Sheng, Pan-Pan; He, Ming-Yang; Zheng, Li-Rong; Chen, Qun; Chai, Zhi-Fang; Gibson, John K.; Shi, Wei-Qun","Rational Construction of Porous Metal-Organic Frameworks for Uranium(VI) Extraction: The Strong Periodic Tendency with a Metal Node.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02121","","","0.71073","MoKα","","0.0376","0.0304","","","0.0977","0.1033","","","","","","1.12","","","","has coordinates,has disorder","249283","2020-10-21","18:00:00",""
"4517490","11.6557","0.0014","12.2318","0.0013","13.5538","0.0017","65.008","0.004","66.387","0.005","88.173","0.005","1582.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H49 Gd3 N2 O31 -","- C52 H49 Gd3 N2 O31 -","- C52 H49 Gd3 N2 O31 -","1","0.5","","Zhang, Zhi-Hui; Lan, Jian-Hui; Yuan, Li-Yong; Sheng, Pan-Pan; He, Ming-Yang; Zheng, Li-Rong; Chen, Qun; Chai, Zhi-Fang; Gibson, John K.; Shi, Wei-Qun","Rational Construction of Porous Metal-Organic Frameworks for Uranium(VI) Extraction: The Strong Periodic Tendency with a Metal Node.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02121","","","0.71073","MoKα","","0.0606","0.036","","","0.0749","0.0817","","","","","","1.041","","","","has coordinates","249283","2020-10-21","18:00:00",""
"4517491","11.637","0.003","12.225","0.003","13.59","0.003","65.062","0.004","69.474","0.003","87.698","0.004","1628.5","0.7","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H53 N2 O33 Tb3 -","- C52 H53 N2 O33 Tb3 -","- C52 H53 N2 O33 Tb3 -","1","0.5","","Zhang, Zhi-Hui; Lan, Jian-Hui; Yuan, Li-Yong; Sheng, Pan-Pan; He, Ming-Yang; Zheng, Li-Rong; Chen, Qun; Chai, Zhi-Fang; Gibson, John K.; Shi, Wei-Qun","Rational Construction of Porous Metal-Organic Frameworks for Uranium(VI) Extraction: The Strong Periodic Tendency with a Metal Node.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02121","","","0.71073","MoKα","","0.0466","0.037","","","0.1123","0.1285","","","","","","1.093","","","","has coordinates","249283","2020-10-21","18:00:00",""
"4517492","11.5982","0.0004","12.2091","0.0004","13.5331","0.0005","65.025","0.001","68.665","0.001","87.743","0.001","1603.22","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H51 Dy3 N2 O32 -","- C52 H51 Dy3 N2 O32 -","- C52 H51 Dy3 N2 O32 -","1","0.5","","Zhang, Zhi-Hui; Lan, Jian-Hui; Yuan, Li-Yong; Sheng, Pan-Pan; He, Ming-Yang; Zheng, Li-Rong; Chen, Qun; Chai, Zhi-Fang; Gibson, John K.; Shi, Wei-Qun","Rational Construction of Porous Metal-Organic Frameworks for Uranium(VI) Extraction: The Strong Periodic Tendency with a Metal Node.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02121","","","0.71073","MoKα","","0.0334","0.0249","","","0.0725","0.0768","","","","","","1.026","","","","has coordinates","249283","2020-10-21","18:00:00",""
"4517493","11.5964","0.0006","12.192","0.0006","13.4894","0.0007","64.872","0.002","68.012","0.002","87.937","0.002","1583.81","0.15","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H63 Er3 N4 O33 -","- C58 H63 Er3 N4 O33 -","- C58 H63 Er3 N4 O33 -","1","0.5","","Zhang, Zhi-Hui; Lan, Jian-Hui; Yuan, Li-Yong; Sheng, Pan-Pan; He, Ming-Yang; Zheng, Li-Rong; Chen, Qun; Chai, Zhi-Fang; Gibson, John K.; Shi, Wei-Qun","Rational Construction of Porous Metal-Organic Frameworks for Uranium(VI) Extraction: The Strong Periodic Tendency with a Metal Node.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02121","","","0.71073","MoKα","","0.0302","0.0267","","","0.0776","0.0801","","","","","","1.083","","","","has coordinates,has disorder","249283","2020-10-21","18:00:00",""
"4517494","11.5652","0.0008","12.1973","0.0009","13.4782","0.0011","65.045","0.003","67.26","0.003","87.751","0.004","1572.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H53 N4 O28 Y3 -","- C58 H53 N4 O28 Y3 -","- C58 H53 N4 O28 Y3 -","1","0.5","","Zhang, Zhi-Hui; Lan, Jian-Hui; Yuan, Li-Yong; Sheng, Pan-Pan; He, Ming-Yang; Zheng, Li-Rong; Chen, Qun; Chai, Zhi-Fang; Gibson, John K.; Shi, Wei-Qun","Rational Construction of Porous Metal-Organic Frameworks for Uranium(VI) Extraction: The Strong Periodic Tendency with a Metal Node.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02121","","","0.71073","MoKα","","0.0959","0.0651","","","0.1555","0.1706","","","","","","1.064","","","","has coordinates","249283","2020-10-21","18:00:00",""
"4517495","7.447","0.0002","14.6245","0.0004","19.8929","0.0005","90","","90","","90","","2166.51","0.1","179.99","0.1","179.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 O3 -","- C27 H34 O3 -","- C108 H136 O12 -","4","1","","Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao","Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles","ACS Catalysis","2020","10","6","3895","3903","10.1021/acscatal.0c00246","","x-ray","0.71073","MoKα","","0.0405","0.0358","","","0.0908","0.0945","","","","","","1.031","","","","has coordinates","256995","2020-10-21","18:00:00",""
"4517496","12.2802","0.0006","7.2838","0.0004","37.4807","0.0017","90","","90.803","0.004","90","","3352.2","0.3","180","0.1","180","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C39 H54 O5 -","- C39 H54 O5 -","- C156 H216 O20 -","4","1","","Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao","Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles","ACS Catalysis","2020","10","6","3895","3903","10.1021/acscatal.0c00246","","x-ray","0.71073","MoKα","","0.1091","0.0598","","","0.1074","0.1213","","","","","","1.01","","","","has coordinates","256995","2020-10-21","18:00:00",""
"4517497","5.9236","0.0012","13.586","0.003","12.496","0.003","90","","100.7","0.03","90","","988.2","0.4","113.15","","113.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C44 H64 O8 -","2","1","","Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao","Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles","ACS Catalysis","2020","10","6","3895","3903","10.1021/acscatal.0c00246","","","0.71073","MoKα","","0.0631","0.0447","","","0.096","0.1134","","","","","","0.925","","","","has coordinates","256995","2020-10-21","18:00:00",""
"4517498","7.83127","0.0001","16.36158","0.00017","8.81821","0.00011","90","","104.574","0.0013","90","","1093.54","0.02","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H17 N3 O3 S -","- C8 H17 N3 O3 S -","- C32 H68 N12 O12 S4 -","4","1","","Jehanno, Coralie; Demarteau, Jeremy; Mantione, Daniele; Arno, Maria C.; Ruipérez, Fernando; Hedrick, James L.; Dove, Andrew P.; Sardon, Haritz","Synthesis of Functionalized Cyclic Carbonates through Commodity Polymer Upcycling","ACS Macro Letters","2020","","","443","447","10.1021/acsmacrolett.0c00164","","x-ray","1.54184","CuKα","","0.0347","0.0341","","","0.0964","0.0969","","","","","","1.047","","","","has coordinates","257086","2020-10-21","18:00:00",""
"4517499","14.798","0.0005","30.4525","0.0007","14.7929","0.0005","90","","119.955","0.005","90","","5775.7","0.4","119","","119","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C81 Cl21 N9 Pb3 Sb2 -","- C81 Cl21 N9 Pb3 Sb2 -","- C162 Cl42 N18 Pb6 Sb4 -","2","1","","Zhou, Chenkun; Lee, Sujin; Lin, Haoran; Neu, Jennifer; Chaaban, Maya; Xu, Liang-Jin; Arcidiacono, Ashley; He, Qingquan; Worku, Michael; Ledbetter, Logan; Lin, Xinsong; Schlueter, John A.; Siegrist, Theo; Ma, Biwu","Bulk Assembly of Multicomponent Zero-Dimensional Metal Halides with Dual Emission","ACS Materials Letters","2020","","","376","380","10.1021/acsmaterialslett.0c00011","","","0.71073","MoKα","","0.1856","0.1084","","0.2132","0.1858","0.175","","","","","","1.081","","","","has coordinates","257091","2020-10-21","18:00:00",""
"4517500","14.1795","0.0003","8.7989","0.0002","20.5217","0.0004","90","","102.312","0.002","90","","2501.48","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Ag F6 N4 Sb -","- C26 H18 Ag F6 N4 Sb -","- C104 H72 Ag4 F24 N16 Sb4 -","4","1","","Li, Cheng-Peng; Zhou, Hang; Chen, Jing; Wang, Jia-Jun; Du, Miao; Zhou, Wuzong","A Highly Efficient Coordination Polymer for Selective Trapping and Sensing of Perrhenate/Pertechnetate.","ACS applied materials & interfaces","2020","12","13","15246","15254","10.1021/acsami.0c00775","","","1.54184","CuKα","","0.0483","0.0436","","","0.1191","0.1235","","","","","","1.06","","","","has coordinates","250038","2020-10-21","18:00:00",""
"4517501","14.3428","0.0003","8.6193","0.0002","20.253","0.0005","90","","101.798","0.002","90","","2450.88","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Ag N4 O4 Re -","- C26 H18 Ag N4 O4 Re -","- C104 H72 Ag4 N16 O16 Re4 -","4","1","","Li, Cheng-Peng; Zhou, Hang; Chen, Jing; Wang, Jia-Jun; Du, Miao; Zhou, Wuzong","A Highly Efficient Coordination Polymer for Selective Trapping and Sensing of Perrhenate/Pertechnetate.","ACS applied materials & interfaces","2020","12","13","15246","15254","10.1021/acsami.0c00775","","x-ray","1.54184","CuKα","","0.0486","0.0415","","","0.1076","0.114","","","","","","1.029","","","","has coordinates","250038","2020-10-21","18:00:00",""
"4517502","17.846","0.0003","15.0741","0.0002","18.2288","0.0003","90","","94.492","0.001","90","","4888.71","0.13","101","2","101","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H37 Cl3 N P Pd -","- C20 H37 Cl3 N P Pd -","- C160 H296 Cl24 N8 P8 Pd8 -","8","1","","Hu, Huaiyuan; Gilliam, Ashley M.; Qu, Fengrui; Shaughnessy, Kevin H.","Enolizable Ketones as Activators of Palladium(II) Precatalysts in Amine Arylation Reactions","ACS Catalysis","2020","10","7","4127","4135","10.1021/acscatal.0c00221","","x-ray","0.71073","MoKα","","0.0176","0.016","","","0.0393","0.0398","","","","","","1.0368","","","","has coordinates,has disorder","257005","2020-10-21","18:00:00",""
"4517503","7.2868","0.0006","14.4003","0.0012","16.4259","0.0013","90","","90","","90","","1723.6","0.2","298","2","295.5","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H3 Au Cl2 N2 O2 -","- C5 H3 Au Cl2 N2 O2 -","- C40 H24 Au8 Cl16 N16 O16 -","8","1","","Stenger-Smith, Jenny; Kamariza, Mireille; Chakraborty, Indranil; Ouattara, Ramatoulaye; Bertozzi, Carolyn R.; Mascharak, Pradip K.","Enhanced Bactericidal Effects of Pyrazinamide Toward Mycobacterium smegmatis and Mycobacterium tuberculosis upon Conjugation to a {Au(I)-triphenylphosphine}+ Moiety","ACS Omega","2020","5","12","6826","6833","10.1021/acsomega.0c00071","","","0.71076","MoKα","","0.0286","0.0243","","","0.0627","0.0667","","","","","","1.084","","","","has coordinates","257078","2020-10-21","18:00:00",""
"4517504","7.0334","0.001","12.6524","0.0016","15.688","0.002","79.435","0.004","81.214","0.005","89.464","0.004","1356","0.3","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H22 Au F3 N3 O5 P S -","- C24 H22 Au F3 N3 O5 P S -","- C48 H44 Au2 F6 N6 O10 P2 S2 -","2","1","","Stenger-Smith, Jenny; Kamariza, Mireille; Chakraborty, Indranil; Ouattara, Ramatoulaye; Bertozzi, Carolyn R.; Mascharak, Pradip K.","Enhanced Bactericidal Effects of Pyrazinamide Toward Mycobacterium smegmatis and Mycobacterium tuberculosis upon Conjugation to a {Au(I)-triphenylphosphine}+ Moiety","ACS Omega","2020","5","12","6826","6833","10.1021/acsomega.0c00071","","","0.71073","MoKα","","0.0474","0.0435","","","0.1197","0.1217","","","","","","1.136","","","","has coordinates","257078","2020-10-21","18:00:00",""
"4517505","6.6857","0.001","7.2848","0.0011","8.9057","0.0013","94.664","0.002","106.878","0.002","91.649","0.002","413.06","0.11","298","2","295.5","","","","","","","","","6","P -1","-P 1","2","","","","- C5 H4 Au Cl2 N3 O -","- C5 H4 Au Cl2 N3 O -","- C10 H8 Au2 Cl4 N6 O2 -","2","1","","Stenger-Smith, Jenny; Kamariza, Mireille; Chakraborty, Indranil; Ouattara, Ramatoulaye; Bertozzi, Carolyn R.; Mascharak, Pradip K.","Enhanced Bactericidal Effects of Pyrazinamide Toward Mycobacterium smegmatis and Mycobacterium tuberculosis upon Conjugation to a {Au(I)-triphenylphosphine}+ Moiety","ACS Omega","2020","5","12","6826","6833","10.1021/acsomega.0c00071","","","0.71076","MoKα","","0.0175","0.0174","","","0.0425","0.0426","","","","","","1.198","","","","has coordinates","257078","2020-10-21","18:00:00",""
"4517506","12.627","0.004","16.99","0.005","4.5162","0.0013","90","","90","","90","","968.9","0.5","273","2","273.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C15 H8 Cl4 F6 N4 O -","- C15 H8 Cl4 F6 N4 O -","- C30 H16 Cl8 F12 N8 O2 -","2","0.5","","Mondal, Amita; Hazra, Abhijit; Chakrabarty, Jitamanyu; Bose K, Jagadeesh C.; Banerjee, Priyabrata","Tandem Detection of Sub-Nano Molar Level CN‒ and Hg2+ in Aqueous Medium by a Suitable Molecular Sensor: A Viable Solution for Detection of CN‒ and Development of the RGB-Based Sensory Device","ACS Omega","2020","5","12","6576","6587","10.1021/acsomega.9b04311","","","0.71073","MoKα","","0.0448","0.037","","","0.085","0.0903","","","","","","1.028","","","","has coordinates,has disorder","257076","2020-10-21","18:00:00",""
"4517507","25.831","0.006","7.3258","0.0017","7.3487","0.0018","90","","90","","90","","1390.6","0.6","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H10 Cd Cl4 F6 N2 -","- C4 H10 Cd Cl4 F6 N2 -","- C16 H40 Cd4 Cl16 F24 N8 -","4","0.5","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi","Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4]","ACS Omega","2020","5","12","6773","6780","10.1021/acsomega.0c00113","","","0.71076","MoKα","","0.0538","0.0451","","","0.1082","0.1192","","","","","","1.149","","","","has coordinates","257077","2020-10-21","18:00:00",""
"4517508","7.5273","0.0009","7.4027","0.0009","23.054","0.003","90","","90","","90","","1284.6","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","csp-2fc-cd","","- C4 H12 Cd Cl4 F4 N2 -","- C4 H12 Cd Cl4 F4 N2 -","- C16 H48 Cd4 Cl16 F16 N8 -","4","0.5","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi","Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4]","ACS Omega","2020","5","12","6773","6780","10.1021/acsomega.0c00113","","","0.71076","MoKα","","0.0539","0.0512","","","0.1184","0.1196","","","","","","1.396","","","","has coordinates","257077","2020-10-21","18:00:00",""
"4517509","11.2047","0.0008","7.6515","0.0005","7.305","0.0005","90","","104.162","0.007","90","","607.24","0.07","269.98","0.1","270","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H14 Cd Cl4 F2 N2 -","- C4 H14 Cd Cl4 F2 N2 -","- C8 H28 Cd2 Cl8 F4 N4 -","2","0.5","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi","Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4]","ACS Omega","2020","5","12","6773","6780","10.1021/acsomega.0c00113","","","0.71073","MoKα","","0.0683","0.0656","","","0.1833","0.1861","","","","","","1.142","","","","has coordinates","257077","2020-10-21","18:00:00",""
"4517510","7.461","0.0007","23.412","0.002","7.5566","0.0007","90","","90","","90","","1320","0.2","340","2","340.01","","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C4 H12 Cd Cl4 F4 N2 -","- C4 H12 Cd Cl4 F4 N2 -","- C16 H48 Cd4 Cl16 F16 N8 -","4","0.25","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi","Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4]","ACS Omega","2020","5","12","6773","6780","10.1021/acsomega.0c00113","","","0.71073","MoKα","","0.0606","0.053","","","0.1347","0.1423","","","","","","1.207","","","","has coordinates","257077","2020-10-21","18:00:00",""
"4517511","7.4525","0.0007","21.842","0.002","7.5766","0.0006","90","","90","","90","","1233.3","0.19","300","","300","","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C H1.5 Cd0.25 Cl F0.5 N0.5 -","- C H1.5 Cd0.25 Cl F0.5 N0.5 -","- C16 H24 Cd4 Cl16 F8 N8 -","16","1","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi","Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4]","ACS Omega","2020","5","12","6773","6780","10.1021/acsomega.0c00113","","","0.71073","MoKα","","0.0328","0.0314","","","0.0859","0.0872","","","","","","1.082","","","","has coordinates","257077","2020-10-21","18:00:00",""
"4517512","21.774","0.004","27.098","0.004","7.6429","0.0012","90","","99.062","0.008","90","","4453.3","1.3","180","2","180","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H37 Mg O13 -","- C48 H37 Mg O13 -","- C192 H148 Mg4 O52 -","4","0.5","","Hu, Zengchi; Qiao, Chengfang; Xia, Zhengqiang; Li, Feng; Han, Jing; Wei, Qing; Yang, Qi; Xie, Gang; Chen, Sanping; Gao, Sheng-Li","A Luminescent Mg-MOF for sustained release of 5-fluorouracil: appropriate host-guest interaction and satisfied acid-base resistance.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c01198","","","1.34139","GaKα","","0.0811","0.0711","","","0.222","0.236","","","","","","1.09","","","","has coordinates","249614","2020-10-21","18:00:00",""
"4517513","16.6366","0.0007","12.7954","0.0006","37.4749","0.0017","90","","101.172","0.002","90","","7826.2","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H64 B Co F24 P4 -","- C86 H64 B Co F24 P4 -","- C344 H256 B4 Co4 F96 P16 -","4","1","","Gray, Montgomery; Hines, Michael T.; Parsutkar, Mahesh M.; Wahlstrom, A. J.; Brunelli, Nicholas A.; RajanBabu, T. V.","Mechanism of Cobalt-Catalyzed Heterodimerization of Acrylates and 1,3-Dienes. A Potential Role of Cationic Cobalt(I) Intermediates","ACS Catalysis","2020","10","7","4337","4348","10.1021/acscatal.9b05455","","x-ray","0.71073","MoKα","","0.0421","0.0348","","","0.0881","0.0921","","","","","","1.023","","","","has coordinates,has disorder","257007","2020-10-21","18:00:00",""
"4517514","14.1589","0.0009","17.0352","0.001","24.3773","0.0014","90","","100.025","0.003","90","","5790","0.6","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H60 Br3 Co O P4 Zn -","- C58 H60 Br3 Co O P4 Zn -","- C232 H240 Br12 Co4 O4 P16 Zn4 -","4","1","","Gray, Montgomery; Hines, Michael T.; Parsutkar, Mahesh M.; Wahlstrom, A. J.; Brunelli, Nicholas A.; RajanBabu, T. V.","Mechanism of Cobalt-Catalyzed Heterodimerization of Acrylates and 1,3-Dienes. A Potential Role of Cationic Cobalt(I) Intermediates","ACS Catalysis","2020","10","7","4337","4348","10.1021/acscatal.9b05455","","x-ray","0.71073","MoKα","","0.0537","0.0359","","","0.0867","0.0929","","","","","","1.044","","","","has coordinates,has disorder","257007","2020-10-21","18:00:00",""
"4517515","8.7317","0.0006","6.1983","0.0004","11.9174","0.0007","90","","110.056","0.002","90","","605.88","0.07","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 N S -","- C15 H13 N S -","- C30 H26 N2 S2 -","2","1","","Pandey, Anand Kumar; Chand, Shiv; Singh, Rahul; Kumar, Saurabh; Singh, Krishna Nand","Iodine-Catalyzed Synthesis of 3-Arylthioindoles Employing a 1-Aryltriazene/CS2 Combination as a New Sulfenylation Source","ACS Omega","2020","","","","","10.1021/acsomega.0c00472","","x-ray","0.71073","MoKα","","0.0592","0.0491","","","0.1131","0.1217","","","","","","1.06","","","","has coordinates","249706","2020-10-21","18:00:00",""
"4517516","11.485","0.004","17.736","0.006","34.901","0.012","90","","92.971","0.009","90","","7100","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H64 Eu N3 O46 P6 U6 -","- C36 H64 Eu N3 O46 P6 U6 -","- C144 H256 Eu4 N12 O184 P24 U24 -","4","0.5","","Zhang, Yugang; Chen, Lanhua; Liu, Zhiyong; Liu, Wei; Yuan, Mengjia; Shu, Jie; Wang, Ning; He, Linwei; Zhang, Jiarong; Xie, Jian; Chen, Xijian; Diwu, Juan","Full-Range Ratiometric Detection of D2O in H2O by a Heterobimetallic Uranyl/Lanthanide Framework with 4f/5f Bimodal Emission","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c02783","","","0.71073","MoKα","","0.0482","0.0365","","","0.0798","0.084","","","","","","1.066","","","","has coordinates","249732","2020-10-21","18:00:00",""
"4517517","20.222","0.003","18.433","0.003","7.6641","0.0016","90","","90","","90","","2856.8","0.9","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C11 H4 Ca2 O10 -","- C11 H4 Ca2 O10 -","- C88 H32 Ca16 O80 -","8","0.5","","Li, Liangying; Guo, Lidong; Zheng, Fang; Zhang, Zhiguo; Yang, Qiwei; Yang, Yiwen; Ren, Qilong; Bao, Zongbi","Calcium-Based Metal-Organic Framework for Simultaneous Capture of Trace Propyne and Propadiene from Propylene.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c03139","","","0.71073","MoKα","","0.0704","0.0597","","","0.1587","0.1705","","","","","","1.057","","","","has coordinates,has disorder","249733","2020-10-21","18:00:00",""
"4517518","19.916","0.004","18.697","0.004","7.67","0.0016","90","","90","","90","","2856.1","1","193","2","193","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C11 H4 Ca2 O10 -","- C11 H4 Ca2 O10 -","- C88 H32 Ca16 O80 -","8","0.5","","Li, Liangying; Guo, Lidong; Zheng, Fang; Zhang, Zhiguo; Yang, Qiwei; Yang, Yiwen; Ren, Qilong; Bao, Zongbi","Calcium-Based Metal-Organic Framework for Simultaneous Capture of Trace Propyne and Propadiene from Propylene.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c03139","","","0.71073","MoKα","","0.0555","0.0544","","","0.1406","0.1421","","","","","","1.072","","","","has coordinates,has disorder","268283","2021-08-30","06:31:23",""
"4517519","10.2077","0.0004","19.7705","0.0007","8.1575","0.0003","90","","97.395","0.001","90","","1632.58","0.11","99.93","","99.93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C84 H72 N8 O4 -","4","1","","Zhu, Cuiju; Kuniyil, Rositha; Jei, Becky B.; Ackermann, Lutz","Domino C‒H Activation/Directing Group Migration/Alkyne Annulation: Unique Selectivity by d6-Cobalt(III) Catalysts","ACS Catalysis","2020","10","7","4444","4450","10.1021/acscatal.9b05413","","","0.71073","MoKα","","0.038","0.0364","","","0.0939","0.0953","","","","","","1.071","","","","has coordinates","257006","2020-10-21","18:00:00",""
"4517520","9.0581","0.0012","9.9273","0.0012","10.2645","0.0012","105.947","0.004","96.819","0.004","97.151","0.004","869.2","0.19","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C44 H40 N4 O2 -","2","1","","Zhu, Cuiju; Kuniyil, Rositha; Jei, Becky B.; Ackermann, Lutz","Domino C‒H Activation/Directing Group Migration/Alkyne Annulation: Unique Selectivity by d6-Cobalt(III) Catalysts","ACS Catalysis","2020","10","7","4444","4450","10.1021/acscatal.9b05413","","","0.71073","MoKα","","0.0437","0.0409","","","0.1051","0.1077","","","","","","1.036","","","","has coordinates","257006","2020-10-21","18:00:00",""
"4517521","8.7963","0.0009","10.354","0.0012","11.5419","0.0014","110.43","0.003","100.373","0.003","101.27","0.004","930.16","0.19","100.01","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C50 H40 N4 O2 -","2","1","","Zhu, Cuiju; Kuniyil, Rositha; Jei, Becky B.; Ackermann, Lutz","Domino C‒H Activation/Directing Group Migration/Alkyne Annulation: Unique Selectivity by d6-Cobalt(III) Catalysts","ACS Catalysis","2020","10","7","4444","4450","10.1021/acscatal.9b05413","","","0.71073","MoKα","","0.0469","0.041","","","0.1026","0.1081","","","","","","1.048","","","","has coordinates","257006","2020-10-21","18:00:00",""
"4517522","10.0207","0.0015","19.056","0.003","10.3059","0.001","90","","105.173","0.011","90","","1899.4","0.5","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C39 H45 F3 N2 O5 P Rh S -","- C39 H45 F3 N2 O5 P Rh S -","- C78 H90 F6 N4 O10 P2 Rh2 S2 -","2","1","","Xu, Wen-Bin; Ghorai, Samir; Huang, Wenyu; Li, Changkun","Rh(I)/Bisoxazolinephosphine-Catalyzed Regio- and Enantioselective Allylic Substitutions","ACS Catalysis","2020","","","4491","4496","10.1021/acscatal.0c00712","","","1.54178","CuKα","","0.0333","0.0325","","","0.0876","0.0888","","","","","","1.059","","","","has coordinates,has disorder","257048","2020-10-21","18:00:00",""
"4517523","10.9434","0.0006","10.9434","0.0006","60.442","0.004","90","","90","","90","","7238.4","0.7","295","2","295","2","","","","","","","","9","P 43 21 2","P 4nw 2abw","96","","","","- C35 H40 Cl F3 N2 O5 P Rh S -","- C35 H40 Cl F3 N2 O5 P Rh S -","- C280 H320 Cl8 F24 N16 O40 P8 Rh8 S8 -","8","1","","Xu, Wen-Bin; Ghorai, Samir; Huang, Wenyu; Li, Changkun","Rh(I)/Bisoxazolinephosphine-Catalyzed Regio- and Enantioselective Allylic Substitutions","ACS Catalysis","2020","","","4491","4496","10.1021/acscatal.0c00712","","","1.54178","CuKα","","0.0264","0.0256","","","0.0683","0.0692","","","","","","0.996","","","","has coordinates","257048","2020-10-21","18:00:00",""
"4517524","13.6532","0.0004","7.216","0.0002","18.2271","0.0005","90","","101.211","0.0009","90","","1761.49","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 F3 N4 O2 Pt0.5 -","- C17 H16 F3 N4 O2 Pt0.5 -","- C68 H64 F12 N16 O8 Pt2 -","4","1","","Ko, Chang-Lun; Hung, Wen-Yi; Chen, Po-Ting; Wang, Tsai-Hui; Hsu, Hsiu-Fu; Liao, Jia-Ling; Ly, Kiet Tuong; Wang, Sheng Fu; Yu, Chang-Hung; Liu, Shih-Hung; Lee, Gene-Hsiang; Tai, Wun-Shan; Chou, Pi-Tai; Chi, Yun","Versatile Pt(II) Pyrazolate Complexes: Emission Tuning via Interplay of Chelate Designs and Stacking Assemblies.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b23388","","","0.71073","MoKα","","0.0292","0.0203","","","0.0371","0.0405","","","","","","1.111","","","","has coordinates,has disorder","249826","2020-10-21","18:00:00",""
"4517525","5.4881","0.0004","17.594","0.0012","11.4063","0.0008","90","","96.767","0.002","90","","1093.69","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 F6 N8 Pt -","- C20 H20 F6 N8 Pt -","- C40 H40 F12 N16 Pt2 -","2","0.5","","Ko, Chang-Lun; Hung, Wen-Yi; Chen, Po-Ting; Wang, Tsai-Hui; Hsu, Hsiu-Fu; Liao, Jia-Ling; Ly, Kiet Tuong; Wang, Sheng Fu; Yu, Chang-Hung; Liu, Shih-Hung; Lee, Gene-Hsiang; Tai, Wun-Shan; Chou, Pi-Tai; Chi, Yun","Versatile Pt(II) Pyrazolate Complexes: Emission Tuning via Interplay of Chelate Designs and Stacking Assemblies.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b23388","","","0.71073","MoKα","","0.0238","0.0157","","","0.0331","0.0355","","","","","","1.147","","","","has coordinates","249826","2020-10-21","18:00:00",""
"4517526","11.9498","0.0002","9.229","0.0002","18.3551","0.0004","90","","93.5512","0.0005","90","","2020.4","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 F6 N7 Pt -","- C19 H15 F6 N7 Pt -","- C76 H60 F24 N28 Pt4 -","4","1","","Ko, Chang-Lun; Hung, Wen-Yi; Chen, Po-Ting; Wang, Tsai-Hui; Hsu, Hsiu-Fu; Liao, Jia-Ling; Ly, Kiet Tuong; Wang, Sheng Fu; Yu, Chang-Hung; Liu, Shih-Hung; Lee, Gene-Hsiang; Tai, Wun-Shan; Chou, Pi-Tai; Chi, Yun","Versatile Pt(II) Pyrazolate Complexes: Emission Tuning via Interplay of Chelate Designs and Stacking Assemblies.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b23388","","","0.71073","MoKα","","0.0173","0.0154","","","0.0333","0.0342","","","","","","1.073","","","","has coordinates","249826","2020-10-21","18:00:00",""
"4517527","8.43","0.0001","11.6177","0.0001","10.918","0.0001","90","","108.357","0.001","90","","1014.87","0.018","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H19 F5 N2 -","- C25 H19 F5 N2 -","- C50 H38 F10 N4 -","2","1","","Li, Jiuling; Zhang, Dan; Chen, Jianghui; Ma, Chaoqun; Hu, Wenhao","Enantioselective Synthesis of Fluoroalkyl-Substituted syn-Diamines by the Asymmetric gem-Difunctionalization of 2,2,2-Trifluorodiazoethane","ACS Catalysis","2020","","","4559","4565","10.1021/acscatal.0c00972","","x-ray","1.54184","CuKα","","0.032","0.0317","","","0.0855","0.0857","","","","","","1.037","","","","has coordinates","257057","2020-10-21","18:00:00",""
"4517528","11.8848","0.0003","19.0951","0.0004","17.618","0.0004","90","","105.834","0.003","90","","3846.55","0.16","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H64 N Ni P2 -","- C42 H64 N Ni P2 -","- C168 H256 N4 Ni4 P8 -","4","1","","Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill","Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study","ACS Catalysis","2020","","","4630","4639","10.1021/acscatal.0c00393","","x-ray","1.54184","CuKα","","0.0977","0.0689","","","0.1747","0.193","","","","","","1.044","","","","has coordinates,has disorder","257050","2020-10-21","18:00:00",""
"4517529","11.7655","0.0001","14.098","0.0001","22.4255","0.0001","90","","93.047","0.001","90","","3714.46","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H64 Ni P2 S -","- C40 H64 Ni P2 S -","- C160 H256 Ni4 P8 S4 -","4","1","","Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill","Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study","ACS Catalysis","2020","","","4630","4639","10.1021/acscatal.0c00393","","x-ray","1.54184","CuKα","","0.0311","0.0296","","","0.0801","0.0811","","","","","","1.032","","","","has coordinates","257050","2020-10-21","18:00:00",""
"4517530","12.7568","0.0002","12.7744","0.0002","17.1688","0.0003","73.619","0.002","89.592","0.001","75.811","0.002","2596.58","0.08","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C52 H96 Ni P4 -","- C52 H96 Ni P4 -","- C104 H192 Ni2 P8 -","2","1","","Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill","Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study","ACS Catalysis","2020","","","4630","4639","10.1021/acscatal.0c00393","","x-ray","1.54184","CuKα","","0.0728","0.0655","","","0.1774","0.1854","","","","","","1.03","","","","has coordinates","257050","2020-10-21","18:00:00",""
"4517531","12.2203","0.0001","18.687","0.0001","15.2866","0.0001","90","","99.052","0.001","90","","3447.38","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H56 Br2 Ni P2 -","- C33 H56 Br2 Ni P2 -","- C132 H224 Br8 Ni4 P8 -","4","1","","Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill","Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study","ACS Catalysis","2020","","","4630","4639","10.1021/acscatal.0c00393","","x-ray","1.54184","CuKα","","0.0539","0.0515","","","0.1362","0.1379","","","","","","1.066","","","","has coordinates,has disorder","257050","2020-10-21","18:00:00",""
"4517532","14.4888","0.0002","5.6004","0.0001","15.206","0.0002","90","","109.454","0.002","90","","1163.42","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O2 S -","- C13 H13 N O2 S -","- C52 H52 N4 O8 S4 -","4","1","","Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill","Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study","ACS Catalysis","2020","","","4630","4639","10.1021/acscatal.0c00393","","x-ray","1.54184","CuKα","","0.0473","0.0409","","","0.1154","0.1203","","","","","","1.082","","","","has coordinates","257050","2020-10-21","18:00:00",""
"4517533","10.5652","0.0001","22.4696","0.0001","15.3099","0.0001","90","","105.292","0.001","90","","3505.82","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H61 Br Ni O P2 -","- C36 H61 Br Ni O P2 -","- C144 H244 Br4 Ni4 O4 P8 -","4","1","","Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill","Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study","ACS Catalysis","2020","","","4630","4639","10.1021/acscatal.0c00393","","x-ray","1.54184","CuKα","","0.0272","0.0239","","","0.0608","0.0622","","","","","","1.051","","","","has coordinates,has disorder","257050","2020-10-21","18:00:00",""
"4517534","10.6205","0.0001","8.92","0.0001","11.9761","0.0001","90","","97.617","0.001","90","","1124.54","0.019","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N -","- C14 H19 N -","- C56 H76 N4 -","4","1","","Bismuto, Alessandro; Delcaillau, Tristan; Müller, Patrick; Morandi, Bill","Nickel-Catalyzed Amination of Aryl Thioethers: A Combined Synthetic and Mechanistic Study","ACS Catalysis","2020","","","4630","4639","10.1021/acscatal.0c00393","","x-ray","1.54184","CuKα","","0.0449","0.0411","","","0.1157","0.119","","","","","","1.075","","","","has coordinates","257050","2020-10-21","18:00:00",""
"4517535","4.495","0.0006","13.8963","0.0016","19.758","0.003","90","","90","","90","","1234.2","0.3","295","2","295","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C16 H6 F2 N4 O -","- C16 H6 F2 N4 O -","- C64 H24 F8 N16 O4 -","4","1","","Kvashnin, Yuriy A.; Verbitskiy, Egor V.; Eltsov, Oleg S.; Slepukhin, Pavel A.; Tameev, Alexey R.; Nekrasova, Natalia V.; Rusinov, Gennady L.; Nunzi, Jean-Michel; Chupakhin, Oleg N.; Charushin, Valery N.","Dibenzo[f,h]furazano[3,4-b]quinoxalines: Synthesis by Intramolecular Cyclization through Direct Transition Metal-Free C‒H Functionalization and Electrochemical, Photophysical, and Charge Mobility Characterization","ACS Omega","2020","","","","","10.1021/acsomega.0c00479","","x-ray","0.71073","MoKα","","0.1239","0.0801","","","0.1945","0.2399","","","","","","1.02","","","","has coordinates,has disorder","249870","2020-10-21","18:00:00",""
"4517536","9.3825","0.0006","10.3799","0.0006","11.1183","0.0003","76.894","0.004","89.918","0.004","73.255","0.005","1007.51","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Br F3 N2 Ni -","- C22 H19 Br F3 N2 Ni -","- C44 H38 Br2 F6 N4 Ni2 -","2","1","","Rand, Alexander W.; Yin, Hongfei; Xu, Liang; Giacoboni, Jessica; Martin-Montero, Raul; Romano, Ciro; Montgomery, John; Martin, Ruben","Dual Catalytic Platform for Enabling sp3 α C‒H Arylation and Alkylation of Benzamides","ACS Catalysis","2020","","","4671","","10.1021/acscatal.0c01318","","","0.7107","MoKα","","0.0777","0.0455","","","0.1031","0.1112","","","","","","0.919","","","","has coordinates","249964","2020-10-21","18:00:00",""
"4517537","15.0776","0.0002","6.6335","0.0001","21.5511","0.0003","90","","102.6","0.001","90","","2103.57","0.05","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 B2 O2 -","- C22 H34 B2 O2 -","- C88 H136 B8 O8 -","4","1","","Docherty, Jamie H.; Nicholson, Kieran; Dominey, Andrew P.; Thomas, Stephen P.","A Boron‒Boron Double Transborylation Strategy for the Synthesis of gem-Diborylalkanes","ACS Catalysis","2020","","","4686","","10.1021/acscatal.0c00869","","x-ray","1.54184","CuKα","","0.0744","0.0664","","","0.179","0.188","","","","","","1.033","","","","has coordinates,has disorder","249965","2020-10-21","18:00:00",""
"4517538","28.201","0.009","14.449","0.004","20.928","0.008","90","","91.058","0.016","90","","8526","5","210","2","210","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 Co2 F6 N2 O9 -","- C44 H42 Co2 F6 N2 O9 -","- C352 H336 Co16 F48 N16 O72 -","8","1","","Song, Xiao-Jiao; Xue, Xiao-Ming","Study on the Magneto-Structural Correlation of a New Dinuclear Cobalt(II) Complex with Double μ-Phenoxo Bridges.","ACS omega","2020","5","14","8347","8354","10.1021/acsomega.0c00853","","","1.34139","GaKα","","0.0836","0.0524","","","0.133","0.1458","","","","","","1.06","","","","has coordinates","251426","2020-10-21","18:00:00",""
"4517539","4.42","0.002","43.948","0.009","7.635","0.002","90","","97.64","0.03","90","","1469.9","0.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H14 F3 N O2 -","- C17 H14 F3 N O2 -","- C68 H56 F12 N4 O8 -","4","1","","Song, Xiao-Jiao; Xue, Xiao-Ming","Study on the Magneto-Structural Correlation of a New Dinuclear Cobalt(II) Complex with Double μ-Phenoxo Bridges.","ACS omega","2020","5","14","8347","8354","10.1021/acsomega.0c00853","","","0.71073","MoKα","","0.0368","0.0337","","","0.0843","0.0871","","","","","","1.028","","","","has coordinates","251426","2020-10-21","18:00:00",""
"4517540","20.8825","0.0005","20.8825","0.0005","10.11","0.0003","90","","90","","90","","4408.8","0.2","100","0.1","100","0.1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C46 H26 Br8 F4 N4 O2 -","- C46 H26 Br8 F4 N4 O2 -","- C184 H104 Br32 F16 N16 O8 -","4","0.25","","Thomas, Kolle E.; Slebodnick, Carla; Ghosh, Abhik","Facile Supramolecular Engineering of Porphyrin cis Tautomers: The Case of β-Octabromo-<i>meso</i>-tetraarylporphyrins.","ACS omega","2020","5","15","8893","8901","10.1021/acsomega.0c00517","","x-ray","0.71073","MoKα","","0.099","0.0703","","","0.1878","0.2051","","","","","","1.071","","","","has coordinates,has disorder","251428","2020-10-21","18:00:00",""
"4517541","36.7959","0.0004","10.19901","0.00008","30.7172","0.0003","90","","112.85","0.0011","90","","10623","0.2","99.99","0.11","99.99","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H26 Br8 F12 N4 O2 -","- C50 H26 Br8 F12 N4 O2 -","- C400 H208 Br64 F96 N32 O16 -","8","2","","Thomas, Kolle E.; Slebodnick, Carla; Ghosh, Abhik","Facile Supramolecular Engineering of Porphyrin cis Tautomers: The Case of β-Octabromo-<i>meso</i>-tetraarylporphyrins.","ACS omega","2020","5","15","8893","8901","10.1021/acsomega.0c00517","","x-ray","1.54184","CuKα","","0.0528","0.0476","","","0.1209","0.1241","","","","","","1.127","","","","has coordinates,has disorder","251428","2020-10-21","18:00:00",""
"4517542","11.4317","0.0015","12.324","0.002","15.915","0.002","85.293","0.003","74.338","0.003","84.999","0.003","2146.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H51 Cl O P2 Pd -","- C50 H51 Cl O P2 Pd -","- C100 H102 Cl2 O2 P4 Pd2 -","2","1","","Erken, Christina; Hindemith, Carsten; Weyhermüller, Thomas; Hölscher, Markus; Werlé, Christophe; Leitner, Walter","Hydroamination of Aromatic Alkynes to Imines Catalyzed by Pd(II)-Anthraphos Complexes.","ACS omega","2020","5","15","8912","8918","10.1021/acsomega.0c00562","","","0.71073","MoKα","","0.0745","0.0464","","","0.1023","0.1148","","","","","","1.025","","","","has coordinates,has disorder","251431","2020-10-21","18:00:00",""
"4517543","12.1515","0.0006","12.242","0.0007","16.8588","0.0005","86.933","0.004","70.832","0.004","68.328","0.004","2194.8","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H46 F6 N O2 P2 Pd Sb -","- C48 H46 F6 N O2 P2 Pd Sb -","- C96 H92 F12 N2 O4 P4 Pd2 Sb2 -","2","1","","Erken, Christina; Hindemith, Carsten; Weyhermüller, Thomas; Hölscher, Markus; Werlé, Christophe; Leitner, Walter","Hydroamination of Aromatic Alkynes to Imines Catalyzed by Pd(II)-Anthraphos Complexes.","ACS omega","2020","5","15","8912","8918","10.1021/acsomega.0c00562","","","0.71073","MoKα","","0.04","0.0271","","","0.0652","0.0686","","","","","","1.02","","","","has coordinates,has disorder","251431","2020-10-21","18:00:00",""
"4517544","15.6405","0.0014","3.9355","0.0004","18.191","0.002","90","","90","","90","","1119.7","0.2","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C14 H8 Br2 -","- C14 H8 Br2 -","- C56 H32 Br8 -","4","1","","Erken, Christina; Hindemith, Carsten; Weyhermüller, Thomas; Hölscher, Markus; Werlé, Christophe; Leitner, Walter","Hydroamination of Aromatic Alkynes to Imines Catalyzed by Pd(II)-Anthraphos Complexes.","ACS omega","2020","5","15","8912","8918","10.1021/acsomega.0c00562","","","0.71073","MoKα","","0.0314","0.0274","","","0.0618","0.0632","","","","","","1.043","","","","has coordinates","251431","2020-10-21","18:00:00",""
"4517545","7.1231","0.0003","7.1231","0.0003","19.3925","0.0016","90","","90","","120","","852.12","0.09","293","2","293","2","","","","","","","","2","P 65","P 65","170","","","","- In2 Se3 -","- In2 Se3 -","- In12 Se18 -","6","1","","Chi, Yang; Sun, Zong-Dong; Xu, Qian-Ting; Xue, Huai-Guo; Guo, Sheng-Ping","Hexagonal In<sub>2</sub>Se<sub>3</sub>: A Defect Wurtzite-Type Infrared Nonlinear Optical Material with Moderate Birefringence Contributed by Unique InSe<sub>5</sub> Unit.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.9b23085","","","0.71073","MoKα","","0.0434","0.0424","","","0.1069","0.1074","","","","","","1.232","","","","has coordinates","250000","2020-10-21","18:00:00",""
"4517546","17.7721","0.0008","28.9182","0.0012","23.5633","0.001","90","","90.112","0.002","90","","12110","0.9","200","","200","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C84 H184 N3 O37 Sb Si3 Ti W9 -","- C84 H184 N3 O37 Sb Si3 Ti W9 -","- C336 H736 N12 O148 Sb4 Si12 Ti4 W36 -","4","1","","Solé-Daura, Albert; Zhang, Teng; Fouilloux, Hugo; Robert, Carine; Thomas, Christophe M.; Chamoreau, Lise-Marie; Carbó, Jorge J.; Proust, Anna; Guillemot, Geoffroy; Poblet, Josep M.","Catalyst Design for Alkene Epoxidation by Molecular Analogues of Heterogeneous Titanium-Silicalite Catalysts","ACS Catalysis","2020","","","4737","","10.1021/acscatal.9b05147","","","0.71073","MoKα","","0.0824","0.0571","","","0.1143","0.1341","","","","","","1.1","","","","has coordinates","250001","2020-10-21","18:00:00",""
"4517547","15.249","0.0008","6.1775","0.0003","16.2653","0.0009","90","","113.939","0.002","90","","1400.4","0.13","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","2","","Dai, Zhen-Yao; Nong, Zhong-Sheng; Wang, Pu-Sheng","Light-Mediated Asymmetric Aliphatic C‒H Alkylation with Hydrogen Atom Transfer Catalyst and Chiral Phosphoric Acid","ACS Catalysis","2020","10","8","4786","4790","10.1021/acscatal.0c00610","","","1.34139","GaKα","","0.0877","0.0652","","","0.1546","0.1739","","","","","","1.025","","","","has coordinates","256990","2020-10-21","18:00:00",""
"4517548","7.589","0.003","14.368","0.004","18.561","0.005","72.261","0.01","85.4","0.03","88.99","0.03","1921.4","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Cl2 N2 O12 -","- C44 H40 Cl2 N2 O12 -","- C88 H80 Cl4 N4 O24 -","2","1","","Yang, Dezhi; Cao, Junzi; Jiao, Lingtai; Yang, Shiying; Zhang, Li; Lu, Yang; Du, Guanhua","Solubility and Stability Advantages of a New Cocrystal of Berberine Chloride with Fumaric Acid.","ACS omega","2020","5","14","8283","8292","10.1021/acsomega.0c00692","","","1.54178","CuKα","","0.088","0.0714","","","0.2136","0.2483","","","","","","1.044","","","","has coordinates","251427","2020-10-21","18:00:00",""
"4517549","5.0909","0.0007","18.372","0.003","11.6238","0.0014","90","","98.735","0.004","90","","1074.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C48 H56 N8 O4 -","4","1","","Novanna, Motakatla; Kannadasan, Sathananthan; Shanmugam, Ponnusamy","Microwave-Assisted <i>N</i>-Allylation/Homoallylation-RCM Approach: Access to Pyrrole-, Pyridine-, or Azepine-Appended (Het)aryl Aminoamides.","ACS omega","2020","5","15","8515","8522","10.1021/acsomega.9b04038","","","0.71073","MoKα","","0.1299","0.0643","","","0.1632","0.2137","","","","","","1.028","","","","has coordinates","251430","2020-10-21","18:00:00",""
"4517550","14.8009","0.0003","11.9949","0.0003","15.0518","0.0005","90","","114.048","0.002","90","","2440.29","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N2 O S -","- C11 H14 N2 O S -","- C88 H112 N16 O8 S8 -","8","2","","Novanna, Motakatla; Kannadasan, Sathananthan; Shanmugam, Ponnusamy","Microwave-Assisted <i>N</i>-Allylation/Homoallylation-RCM Approach: Access to Pyrrole-, Pyridine-, or Azepine-Appended (Het)aryl Aminoamides.","ACS omega","2020","5","15","8515","8522","10.1021/acsomega.9b04038","","","0.71073","MoKα","","0.1169","0.0578","","","0.1415","0.1778","","","","","","1.054","","","","has coordinates,has disorder","251430","2020-10-21","18:00:00",""
"4517551","24.7582","0.0014","24.7582","0.0014","31.9322","0.0019","90","","90","","90","","19573","2","150","2","150","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C280 H198 N2 O56 Zr6 -","- C280 H198 N2 O54 Zr4 -","- C560 H396 N4 O108 Zr8 -","2","0.125","","Cheng, Shengxian; Li, Kedi; Hu, Jieying; He, Jun; Zeller, Matthias; Xu, Zhengtao","Building Conjugated Donor-Acceptor Cross-Links into Metal-Organic Frameworks for Photo- and Electroactivity.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c01634","","","0.71073","MoKα","","0.1043","0.0933","","","0.2745","0.2876","","","","","","1.09","","","","has coordinates,has disorder","250504","2020-10-21","18:00:00",""
"4517552","10.081","0.0006","26.6065","0.0012","14.0765","0.0007","90","","105.018","0.003","90","","3646.6","0.3","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H43 Cl4 N3 O Ru S -","- C37 H43 Cl4 N3 O Ru S -","- C148 H172 Cl16 N12 O4 Ru4 S4 -","4","1","","Segalovich-Gerendash, Gal; Rozenberg, Illya; Alassad, Nebal; Nechmad, Noy B.; Goldberg, Israel; Kozuch, Sebastian; Lemcoff, N. Gabriel","Imposing Latency in Ruthenium Sulfoxide-Chelated Benzylidenes: Expanding Opportunities for Thermal and Photoactivation in Olefin Metathesis","ACS Catalysis","2020","","","4827","","10.1021/acscatal.0c00676","","","0.71073","MoKα","","0.0472","0.0339","","","0.0734","0.08","","","","","","1.034","","","","has coordinates","250505","2020-10-21","18:00:00",""
"4517553","12.4359","0.0013","16.0865","0.0007","26.638","0.002","90","","98.824","0.009","90","","5265.9","0.7","100.15","","100.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42.65 H53 Ag Cl5.29 I N6 O8.35 S -","- C42.649 H53 Ag Cl5.298 I N6 O8.351 S -","- C170.596 H212 Ag4 Cl21.192 I4 N24 O33.404 S4 -","4","1","","Elkoush, Tasneem; Mak, Choi L.; Paley, Daniel W.; Campbell, Michael G.","Silver(II) and Silver(III) Intermediates in Alkene Aziridination with a Dinuclear Silver(I) Nitrene Transfer Catalyst","ACS Catalysis","2020","","","4820","","10.1021/acscatal.0c00065","","x-ray","0.41328","","","0.1196","0.1086","","","0.2771","0.2854","","","","","","1.094","","","","has coordinates,has disorder","250506","2020-10-21","18:00:00",""
"4517554","20.4684","0.0004","13.4202","0.0002","15.4089","0.0002","90","","90","","90","","4232.67","0.12","99.96","0.14","99.96","0.14","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C40 H47 Ag Cl2 N5 O8 S2 -","- C40 H47 Ag Cl2 N5 O8 S2 -","- C160 H188 Ag4 Cl8 N20 O32 S8 -","4","1","","Elkoush, Tasneem; Mak, Choi L.; Paley, Daniel W.; Campbell, Michael G.","Silver(II) and Silver(III) Intermediates in Alkene Aziridination with a Dinuclear Silver(I) Nitrene Transfer Catalyst","ACS Catalysis","2020","","","4820","","10.1021/acscatal.0c00065","","x-ray","1.54184","CuKα","","0.0577","0.0541","","","0.1339","0.138","","","","","","1.022","","","","has coordinates,has disorder","250507","2020-10-21","18:00:00",""
"4517555","12.219","0.002","15.7","0.003","15.737","0.003","101.19","0.03","97.41","0.03","92.52","0.03","2929.4","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H44 N20 O12 Zn5 -","- C34 H22 N18 O9 Zn5 -","- C68 H44 N36 O18 Zn10 -","2","1","","Kan, Liang; Li, Guanghua; Liu, Yunling","Highly Selective Separation of C3H8 and C2H2 over CH4 within Two Water-Stable Zn5 Cluster-Based Metal-Organic Frameworks.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c04538","","","0.71073","MoKα","","0.0506","0.0355","","","0.0956","0.0999","","","","","","1.055","","","","has coordinates","250538","2020-10-21","18:00:00",""
"4517556","14.406","0.003","15.241","0.003","16.333","0.003","97.6","0.03","95.92","0.03","106.86","0.03","3363.8","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37.5 H42.5 N23.5 O13.5 Zn5 -","- C32 H19 N21 O10 Zn5 -","- C64 H38 N42 O20 Zn10 -","2","1","","Kan, Liang; Li, Guanghua; Liu, Yunling","Highly Selective Separation of C3H8 and C2H2 over CH4 within Two Water-Stable Zn5 Cluster-Based Metal-Organic Frameworks.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c04538","","","0.71073","MoKα","","0.0639","0.0449","","","0.1234","0.1301","","","","","","1.046","","","","has coordinates,has disorder","250539","2020-10-21","18:00:00",""
"4517557","10.4131","0.0009","7.3711","0.0006","5.4291","0.0005","90","","90","","90","","416.72","0.06","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- H5 Na3 Ni -","- H5 Na3 Ni -","- H20 Na12 Ni4 -","4","0.5","","Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich","Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>.","ACS omega","2020","5","15","8730","8743","10.1021/acsomega.0c00239","powder diffraction","x-ray","0.41127","synchrotron","","0.0594","0.0594","","0.0668","0.0667","","","","4.9","","","","","","","has coordinates","251429","2020-10-21","18:00:00",""
"4517558","7.3444","0.0009","6.8828","0.0009","7.2247","0.0008","90","","90","","90","","365.21","0.08","593","","593","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- H5 Na3 Ni -","- H5 Na3 Ni -","- H20 Na12 Ni4 -","4","0.25","","Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich","Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>.","ACS omega","2020","5","15","8730","8743","10.1021/acsomega.0c00239","powder diffraction","x-ray","0.22542","synchrotron","","0.0871","0.0835","","0.0879","0.0878","","","","4.49","","","","","","","has coordinates","251429","2020-10-21","18:00:00",""
"4517559","7.3575","0.0013","6.7932","0.0015","7.2231","0.0012","90","","90","","90","","361.02","0.12","300","","300","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- H5 Na3 Ni -","- H5 Na3 Ni -","- H20 Na12 Ni4 -","4","0.25","","Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich","Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>.","ACS omega","2020","5","15","8730","8743","10.1021/acsomega.0c00239","powder diffraction","x-ray","0.22542","synchrotron","","0.111","0.1094","","0.1015","0.1013","","","","4.7","","","","","","","has coordinates","251429","2020-10-21","18:00:00",""
"4517560","7.16905","0.00016","7.16905","0.00016","7.16905","0.00016","90","","90","","90","","368.455","0.014","638","","638","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- H5 Na3 Ni -","- H5.0004 Na3 Ni -","- H20.0016 Na12 Ni4 -","4","0.0208333","","Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich","Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>.","ACS omega","2020","5","15","8730","8743","10.1021/acsomega.0c00239","powder diffraction","x-ray","0.22542","synchrotron","","0.0641","0.0641","","0.0836","0.0836","","","","4.26","","","","","","","has coordinates","251429","2020-10-21","18:00:00",""
"4517561","3.43235","0.00003","3.43235","0.00003","3.43235","0.00003","90","","90","","90","","40.4366","0.0006","293","","293","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- H3 Na Ni -","- H3 Na Ni -","- H3 Na Ni -","1","0.0208333","","Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich","Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>.","ACS omega","2020","5","15","8730","8743","10.1021/acsomega.0c00239","powder diffraction","x-ray","0.3544","synchrotron","","0.0239","0.0239","","0.0351","0.0351","","","","1.28","","","","","","","has coordinates","251429","2020-10-21","18:00:00",""
"4517562","36.341","0.008","36.43","0.008","25.851","0.007","90","","90.192","0.008","90","","34224","14","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C231 H132 Eu6 O32 -","- C231 H132 Eu6 O32 -","- C924 H528 Eu24 O128 -","4","0.5","","Duan, Zhigang; Li, Yue; Xiao, Xue; Huang, Xiaoli; Li, Xiaoteng; Li, Yiyang; Zhang, Chong; Zhang, Hang; Li, Lin; Lin, Zhihua; Zhao, Yonggang; Huang, Wei","Interpenetrated Metal-Organic Frameworks with <b>ftw</b> Topology and Versatile Functions.","ACS applied materials & interfaces","2020","12","16","18715","18722","10.1021/acsami.0c03336","","","0.71073","MoKα","","0.1153","0.1005","","","0.279","0.2916","","","","","","1.183","","","","has coordinates,has disorder","251420","2020-10-21","18:00:00",""
"4517563","35.6432","0.0009","35.6432","0.0009","43.654","0.003","90","","90","","120","","48029","4","296","2","296","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C231 H144 O32 Zr6 -","- C229.5 H144 O32 Zr6 -","- C1377 H864 O192 Zr36 -","6","0.166667","","Duan, Zhigang; Li, Yue; Xiao, Xue; Huang, Xiaoli; Li, Xiaoteng; Li, Yiyang; Zhang, Chong; Zhang, Hang; Li, Lin; Lin, Zhihua; Zhao, Yonggang; Huang, Wei","Interpenetrated Metal-Organic Frameworks with <b>ftw</b> Topology and Versatile Functions.","ACS applied materials & interfaces","2020","12","16","18715","18722","10.1021/acsami.0c03336","","","0.71073","MoKα","","0.1012","0.0712","","","0.206","0.2239","","","","","","1.044","","","","has coordinates,has disorder","251420","2020-10-21","18:00:00",""
"4517564","28.278","0.007","5.5097","0.0013","20.597","0.005","90","","127.417","0.006","90","","2548.8","1.1","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 N2 S -","- C36 H24 N2 S -","- C144 H96 N8 S4 -","4","0.5","","Xu, Letian; Zhou, Kun; Ma, Huili; Lv, Anqi; Pei, Dandan; Li, Guoping; Zhang, Yanfeng; An, Zhongfu; Li, Ang; He, Gang","Ultralong Organic Phosphorescent Nanocrystals with Long-Lived Triplet Excited States for Afterglow Imaging and Photodynamic Therapy.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c04005","","x-ray","0.71073","MoKα","","0.0428","0.0357","","","0.0917","0.0975","","","","","","1.057","","","","has coordinates","250684","2020-10-21","18:00:00",""
"4517565","20.621","0.003","5.6913","0.001","22.676","0.004","90","","99.462","0.012","90","","2625.1","0.8","150.15","","150.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C36 H24 N2 Te -","- C36 H24 N2 Te -","- C144 H96 N8 Te4 -","4","0.5","","Xu, Letian; Zhou, Kun; Ma, Huili; Lv, Anqi; Pei, Dandan; Li, Guoping; Zhang, Yanfeng; An, Zhongfu; Li, Ang; He, Gang","Ultralong Organic Phosphorescent Nanocrystals with Long-Lived Triplet Excited States for Afterglow Imaging and Photodynamic Therapy.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c04005","","","0.71073","MoKα","","0.0247","0.0224","","","0.0599","0.0613","","","","","","1.073","","","","has coordinates","250685","2020-10-21","18:00:00",""
"4517566","16.827","0.002","16.972","0.002","21.654","0.003","90","","90","","90","","6184.1","1.3","296","2","296.15","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C320 H256 N16 O16 -","- C320 H256 N16 O16 -","- C320 H256 N16 O16 -","1","0.125","","Xu, Letian; Zhou, Kun; Ma, Huili; Lv, Anqi; Pei, Dandan; Li, Guoping; Zhang, Yanfeng; An, Zhongfu; Li, Ang; He, Gang","Ultralong Organic Phosphorescent Nanocrystals with Long-Lived Triplet Excited States for Afterglow Imaging and Photodynamic Therapy.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c04005","","","0.71073","MoKα","","0.146","0.0842","","","0.2582","0.3167","","","","","","1.043","","","","has coordinates","250686","2020-10-21","18:00:00",""
"4517567","28.158","0.002","5.58","0.0004","20.6226","0.0015","90","","127.213","0.004","90","","2580.5","0.3","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 N2 Se -","- C36 H24 N2 Se -","- C144 H96 N8 Se4 -","4","0.5","","Xu, Letian; Zhou, Kun; Ma, Huili; Lv, Anqi; Pei, Dandan; Li, Guoping; Zhang, Yanfeng; An, Zhongfu; Li, Ang; He, Gang","Ultralong Organic Phosphorescent Nanocrystals with Long-Lived Triplet Excited States for Afterglow Imaging and Photodynamic Therapy.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c04005","","x-ray","0.71073","MoKα","","0.0273","0.0246","","","0.0629","0.0641","","","","","","1.08","","","","has coordinates","250687","2020-10-21","18:00:00",""
"4517568","31.3169","0.0009","13.0613","0.0003","7.9634","0.0002","90","","90","","90","","3257.34","0.15","179.99","0.1","179.99","0.1","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C17 H14 Cl I N2 O2 -","- C17 H14 Cl I N2 O2 -","- C136 H112 Cl8 I8 N16 O16 -","8","1","","Sun, Han-Li; Yang, Fan; Ye, Wei-Ting; Wang, Jun-Jie; Zhu, Rong","Dual Cobalt and Photoredox Catalysis Enabled Intermolecular Oxidative Hydrofunctionalization","ACS Catalysis","2020","10","9","4983","4989","10.1021/acscatal.0c01209","","x-ray","0.71073","MoKα","","0.0302","0.0233","","","0.0505","0.0525","","","","","","1.025","","","","has coordinates","257010","2020-10-21","18:00:00",""
"4517569","7.3777","0.0016","9.654","0.002","10.051","0.002","72.698","0.004","87.979","0.005","70.408","0.005","642.3","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H16 N4 S2 -","- C36 H16 N4 S2 -","- C36 H16 N4 S2 -","1","0.5","","Jin, Jianqun; Wu, Shanyu; Ma, Yudong; Dong, Caiqiao; Wang, Wei; Liu, Xitong; Xu, Haixiao; Long, Guankui; Zhang, Mingtao; Zhang, Jing; Huang, Wei","Nucleation Control-Triggering Cocrystal Polymorphism of Charge-Transfer Complexes Differing in Physical and Electronic Properties.","ACS applied materials & interfaces","2020","12","17","19718","19726","10.1021/acsami.9b23590","","","0.71073","MoKα","","0.0748","0.0704","","","0.2104","0.2137","","","","","","0.868","","","","has coordinates,has disorder","251419","2020-10-21","18:00:00",""
"4517570","11.9205","0.0018","16.126","0.002","13.885","0.002","90","","107.673","0.012","90","","2543.1","0.6","295","2","295","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C36.16 H16 N4 S2 -","- C36.188 H16.188 N4 S1.812 -","- C144.752 H64.752 N16 S7.248 -","4","0.5","","Jin, Jianqun; Wu, Shanyu; Ma, Yudong; Dong, Caiqiao; Wang, Wei; Liu, Xitong; Xu, Haixiao; Long, Guankui; Zhang, Mingtao; Zhang, Jing; Huang, Wei","Nucleation Control-Triggering Cocrystal Polymorphism of Charge-Transfer Complexes Differing in Physical and Electronic Properties.","ACS applied materials & interfaces","2020","12","17","19718","19726","10.1021/acsami.9b23590","","","0.71073","MoKα","","0.0659","0.0486","","","0.1152","0.1228","","","","","","1.013","","","","has coordinates,has disorder","251419","2020-10-21","18:00:00",""
"4517571","8.0634","0.0002","19.6046","0.0006","12.6297","0.0004","90","","93.722","0.003","90","","1992.29","0.1","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cl Ir N2 O -","- C22 H26 Cl Ir N2 O -","- C88 H104 Cl4 Ir4 N8 O4 -","4","1","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","0.71073","MoKα","","0.0416","0.0344","","","0.0839","0.0867","","","","","","1.088","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517572","20.4075","0.0004","8.0569","0.0002","14.2212","0.0003","90","","103.892","0.002","90","","2269.87","0.09","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 N2 O2 Si -","- C23 H32 N2 O2 Si -","- C92 H128 N8 O8 Si4 -","4","1","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","1.54184","CuKα","","0.0954","0.0874","","","0.2409","0.2485","","","","","","1.083","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517573","8.2563","0.0005","8.5661","0.0004","19.6108","0.0011","78.098","0.004","89.653","0.005","71.445","0.005","1283.94","0.13","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H36 N2 O3 S Si -","- C27 H36 N2 O3 S Si -","- C54 H72 N4 O6 S2 Si2 -","2","1","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","1.54184","CuKα","","0.0719","0.0647","","","0.1747","0.1829","","","","","","1.036","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517574","43.3006","0.0008","12.9147","0.0002","24.7725","0.0004","90","","103.997","0.0017","90","","13441.8","0.4","123","","123","","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C65 H59 B Cl F24 Ir N2 O Si -","- C65 H59 B Cl F24 Ir N2 O Si -","- C520 H472 B8 Cl8 F192 Ir8 N16 O8 Si8 -","8","1","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","1.54184","CuKα","","0.0443","0.0428","","","0.1168","0.118","","","","","","1.036","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517575","20.6873","0.0011","7.8511","0.0004","26.1279","0.0012","90","","98.161","0.004","90","","4200.7","0.4","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Cl Ir N2 O -","- C23 H10 Cl Ir N2 O -","- C184 H80 Cl8 Ir8 N16 O8 -","8","2","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","1.54184","CuKα","","0.1088","0.1024","","","0.2379","0.2412","","","","","","1.094","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517576","7.4602","0.0008","7.7802","0.0009","14.1269","0.0015","92.011","0.004","102.586","0.004","97.486","0.004","791.72","0.15","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O5 -","- C18 H14 N2 O5 -","- C36 H28 N4 O10 -","2","1","","Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines","ACS Catalysis","2020","10","9","5023","5029","10.1021/acscatal.0c00884","","","0.71073","MoKα","","0.0772","0.0546","","","0.1148","0.1262","","","","","","1.03","","","","has coordinates","257009","2020-10-21","18:00:00",""
"4517577","11.9493","0.0017","6.9494","0.0009","17.493","0.003","90","","104.384","0.005","90","","1407.1","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Br Cl3 N O2 -","- C12 H9 Br Cl3 N O2 -","- C48 H36 Br4 Cl12 N4 O8 -","4","1","","Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines","ACS Catalysis","2020","10","9","5023","5029","10.1021/acscatal.0c00884","","","0.71073","MoKα","","0.0558","0.0449","","","0.1141","0.1258","","","","","","1.039","","","","has coordinates","257009","2020-10-21","18:00:00",""
"4517578","7.5628","0.0017","16.969","0.004","11.191","0.002","90","","105.563","0.0019","90","","1383.5","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines","ACS Catalysis","2020","10","9","5023","5029","10.1021/acscatal.0c00884","","","0.71073","MoKα","","0.047","0.0382","","","0.0928","0.1","","","","","","1.041","","","","has coordinates","257009","2020-10-21","18:00:00",""
"4517579","7.4538","0.0003","16.3766","0.0007","12.0863","0.0005","90","","106.556","0.002","90","","1414.18","0.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl N2 O3 -","- C16 H11 Cl N2 O3 -","- C64 H44 Cl4 N8 O12 -","4","1","","Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines","ACS Catalysis","2020","10","9","5023","5029","10.1021/acscatal.0c00884","","","0.71073","MoKα","","0.054","0.0397","","","0.0943","0.1036","","","","","","1.028","","","","has coordinates","257009","2020-10-21","18:00:00",""
"4517580","8.6223","0.0017","10.073","0.002","11.48","0.002","85","0.03","71.73","0.03","76.75","0.03","921.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 Br N2 -","- C23 H19 Br N2 -","- C46 H38 Br2 N4 -","2","1","","Tan, Zhenda; Ci, Chenggang; Yang, Jian; Wu, Yang; Cao, Liang; Jiang, Huanfeng; Zhang, Min","Catalytic Conversion of N-Heteroaromatics to Functionalized Arylamines by Merging Hydrogen Transfer and Selective Coupling","ACS Catalysis","2020","","","5243","","10.1021/acscatal.0c00394","","","0.71073","MoKα","","0.119","0.0883","","","0.2042","0.225","","","","","","1.003","","","","has coordinates","250883","2020-10-21","18:00:00",""
"4517581","7.4417","0.0015","9.5742","0.0019","13.391","0.003","74.82","0.03","87.16","0.03","74.55","0.03","887.3","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 N2 -","- C23 H20 N2 -","- C46 H40 N4 -","2","1","","Tan, Zhenda; Ci, Chenggang; Yang, Jian; Wu, Yang; Cao, Liang; Jiang, Huanfeng; Zhang, Min","Catalytic Conversion of N-Heteroaromatics to Functionalized Arylamines by Merging Hydrogen Transfer and Selective Coupling","ACS Catalysis","2020","","","5243","","10.1021/acscatal.0c00394","","","0.71073","MoKα","","0.115","0.0641","","","0.1513","0.1935","","","","","","1.018","","","","has coordinates","250884","2020-10-21","18:00:00",""
"4517582","11.029","0.0005","13.8947","0.0007","23.635","0.0009","90","","102.05","0.002","90","","3542.1","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 Au B F4 N2 -","- C31 H46 Au B F4 N2 -","- C124 H184 Au4 B4 F16 N8 -","4","1","","Yazdani, Sima; Junor, Glen P.; Peltier, Jesse L.; Gembicky, Milan; Jazzar, Rodolphe; Grotjahn, Douglas B.; Bertrand, Guy","Influence of Carbene and Phosphine Ligands on the Catalytic Activity of Gold Complexes in the Hydroamination and Hydrohydrazination of Alkynes","ACS Catalysis","2020","","","5190","","10.1021/acscatal.0c01352","","x-ray","0.71073","MoKα","","0.031","0.0222","","","0.0468","0.0492","","","","","","1.048","","","","has coordinates","250885","2020-10-21","18:00:00",""
"4517583","5.2585","0.0018","15.779","0.003","18.526","0.004","90","","95.843","0.014","90","","1529.2","0.7","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C64 H72 N8 O8 S4 -","4","1","","Yazdani, Sima; Junor, Glen P.; Peltier, Jesse L.; Gembicky, Milan; Jazzar, Rodolphe; Grotjahn, Douglas B.; Bertrand, Guy","Influence of Carbene and Phosphine Ligands on the Catalytic Activity of Gold Complexes in the Hydroamination and Hydrohydrazination of Alkynes","ACS Catalysis","2020","","","5190","","10.1021/acscatal.0c01352","","x-ray","0.71073","MoKα","","0.068","0.0415","","","0.0837","0.0925","","","","","","1.019","","","","has coordinates","250886","2020-10-21","18:00:00",""
"4517584","15.2805","0.0009","18.4692","0.0012","20.3195","0.0013","78.445","0.001","80.937","0.001","82.219","0.001","5516.1","0.6","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H47 Au B F20 N -","- C62 H47 Au B F20 N -","- C248 H188 Au4 B4 F80 N4 -","4","2","","Yazdani, Sima; Junor, Glen P.; Peltier, Jesse L.; Gembicky, Milan; Jazzar, Rodolphe; Grotjahn, Douglas B.; Bertrand, Guy","Influence of Carbene and Phosphine Ligands on the Catalytic Activity of Gold Complexes in the Hydroamination and Hydrohydrazination of Alkynes","ACS Catalysis","2020","","","5190","","10.1021/acscatal.0c01352","","x-ray","0.71073","MoKα","","0.0412","0.0263","","","0.0555","0.0615","","","","","","1.043","","","","has coordinates,has disorder","250887","2020-10-21","18:00:00",""
"4517585","17.9392","0.0011","18.2892","0.001","17.3878","0.001","90","","118.402","0.002","90","","5018.1","0.5","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C56 H78 Au B F4 N2 -","- C56 H78 Au B F4 N2 -","- C224 H312 Au4 B4 F16 N8 -","4","1","","Yazdani, Sima; Junor, Glen P.; Peltier, Jesse L.; Gembicky, Milan; Jazzar, Rodolphe; Grotjahn, Douglas B.; Bertrand, Guy","Influence of Carbene and Phosphine Ligands on the Catalytic Activity of Gold Complexes in the Hydroamination and Hydrohydrazination of Alkynes","ACS Catalysis","2020","","","5190","","10.1021/acscatal.0c01352","","x-ray","0.71073","MoKα","","0.031","0.0188","","","0.0427","0.0476","","","","","","1.04","","","","has coordinates,has disorder","250888","2020-10-21","18:00:00",""
"4517586","11.564","0.005","11.051","0.005","18.1","0.007","90","","107.954","0.014","90","","2200.4","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H25 Co N7 O13 -","- C14 H25 Co N7 O13 -","- C56 H100 Co4 N28 O52 -","4","1","","Shah, Syed Raza; Shah, Zarbad; Khiat, Mohammed; Khan, Ajmal; Hill, Leila R.; Khan, Shakeel; Hussain, Javid; Csuk, René; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Complexes of N- and O-Donor Ligands as Potential Urease Inhibitors","ACS Omega","2020","","","","","10.1021/acsomega.0c01089","","","0.71073","MoKα","","0.0642","0.0511","","","0.1429","0.1587","","","","","","1.044","","","","has coordinates","250935","2020-10-21","18:00:00",""
"4517587","11.5555","0.0006","11.0401","0.0006","18.0417","0.0008","90","","107.654","0.002","90","","2193.25","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24.64 N7 O13 Zn -","- C14 H24.644 N7 O13 Zn -","- C56 H98.576 N28 O52 Zn4 -","4","1","","Shah, Syed Raza; Shah, Zarbad; Khiat, Mohammed; Khan, Ajmal; Hill, Leila R.; Khan, Shakeel; Hussain, Javid; Csuk, René; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Complexes of N- and O-Donor Ligands as Potential Urease Inhibitors","ACS Omega","2020","","","","","10.1021/acsomega.0c01089","","","0.71073","MoKα","","0.0453","0.035","","","0.12","0.1319","","","","","","1.092","","","","has coordinates,has disorder","250935","2020-10-21","18:00:00",""
"4517588","7.1817","0.0009","8.3024","0.001","23.248","0.003","90","","91.594","0.005","90","","1385.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 N8 Ni O12 S2 -","- C20 H30 N8 Ni O12 S2 -","- C40 H60 N16 Ni2 O24 S4 -","2","0.5","","Shah, Syed Raza; Shah, Zarbad; Khiat, Mohammed; Khan, Ajmal; Hill, Leila R.; Khan, Shakeel; Hussain, Javid; Csuk, René; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Complexes of N- and O-Donor Ligands as Potential Urease Inhibitors","ACS Omega","2020","","","","","10.1021/acsomega.0c01089","","","0.71073","MoKα","","0.0397","0.0359","","","0.1397","0.1453","","","","","","1.344","","","","has coordinates","250935","2020-10-21","18:00:00",""
"4517589","7.1297","0.0006","7.9881","0.0008","12.2187","0.0008","84.616","0.002","86.409","0.004","82.067","0.004","685.32","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 Co N8 O14 -","- C20 H30 Co N8 O14 -","- C20 H30 Co N8 O14 -","1","0.5","","Shah, Syed Raza; Shah, Zarbad; Khiat, Mohammed; Khan, Ajmal; Hill, Leila R.; Khan, Shakeel; Hussain, Javid; Csuk, René; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Complexes of N- and O-Donor Ligands as Potential Urease Inhibitors","ACS Omega","2020","","","","","10.1021/acsomega.0c01089","","","0.71073","MoKα","","0.0357","0.0293","","","0.0877","0.0914","","","","","","1.234","","","","has coordinates","250935","2020-10-21","18:00:00",""
"4517590","7.152","0.003","7.947","0.004","12.222","0.005","84.7","0.02","86.949","0.013","82.23","0.02","684.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 N8 O14 Zn -","- C20 H30 N8 O14 Zn -","- C20 H30 N8 O14 Zn -","1","0.5","","Shah, Syed Raza; Shah, Zarbad; Khiat, Mohammed; Khan, Ajmal; Hill, Leila R.; Khan, Shakeel; Hussain, Javid; Csuk, René; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Complexes of N- and O-Donor Ligands as Potential Urease Inhibitors","ACS Omega","2020","","","","","10.1021/acsomega.0c01089","","","0.71075","MoKα","","0.0397","0.0301","","","0.0713","0.0758","","","","","","1.083","","","","has coordinates","250935","2020-10-21","18:00:00",""
"4517591","24.3715","0.0003","8.7872","0.0001","37.3337","0.0004","90","","95.671","0.001","90","","7956.15","0.16","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H41 Cl4 N2 O4 -","- C44 H41 Cl4 N2 O4 -","- C352 H328 Cl32 N16 O32 -","8","1","","Chen, Jian; Xia, Jianxing; Gao, Wei-Jie; Yu, Hui-Juan; Zhong, Jun-Xing; Jia, Chunyang; Qin, Yuan-Shou; She, Zhigang; Kuang, Dai-Bin; Shao, Guang","Tetraphenylbutadiene-Based Symmetric 3D Hole-Transporting Materials for Perovskite Solar Cells: A Trial Trade-off between Charge Mobility and Film Morphology.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02751","","x-ray","1.54184","CuKα","","0.06","0.0568","","","0.1553","0.1589","","","","","","1.042","","","","has coordinates,has disorder","251017","2020-10-21","18:00:00",""
"4517592","6.4195","0.0003","10.8173","0.0006","11.1868","0.0006","104.935","0.005","96.182","0.004","106.722","0.005","704.83","0.07","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 Br4 O -","- C32 H26 Br4 O -","- C32 H26 Br4 O -","1","0.5","","Chen, Jian; Xia, Jianxing; Gao, Wei-Jie; Yu, Hui-Juan; Zhong, Jun-Xing; Jia, Chunyang; Qin, Yuan-Shou; She, Zhigang; Kuang, Dai-Bin; Shao, Guang","Tetraphenylbutadiene-Based Symmetric 3D Hole-Transporting Materials for Perovskite Solar Cells: A Trial Trade-off between Charge Mobility and Film Morphology.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02751","","x-ray","0.71073","MoKα","","0.0527","0.0433","","","0.0961","0.1021","","","","","","1.054","","","","has coordinates","251018","2020-10-21","18:00:00",""
"4517593","8.3343","0.0003","8.2225","0.0004","27.6171","0.0015","90","","90","","90","","1892.57","0.15","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(butylammonium) tetrabromoplumbate","","- C8 H24 Br4 N2 Pb -","- C8 H24 Br4 N2 Pb -","- C32 H96 Br16 N8 Pb4 -","4","0.5","","Tu, Qing; Spanopoulos, Ioannis; Vasileiadou, Eugenia Savvas; Li, Xiaotong; Kanatzidis, Mercouri G.; Shekhawat, Gajendra S.; Dravid, Vinayak P.","Exploring the Factors Affecting the Mechanical Properties of 2D Hybrid Organic-Inorganic Perovskites.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02313","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","251019","2020-10-21","18:00:00",""
"4517594","27.9864","0.0007","7.987","0.004","7.8338","0.0007","90","","90","","90","","1751.1","0.9","293","","293","","","","","","","","","5","C m c 21","C 2c -2","36","Butylammonium Lead Chloride","","","- C8 H24 Cl4 N2 Pb -","- C8 H24 Cl4 N2 Pb -","- C32 H96 Cl16 N8 Pb4 -","4","0.5","","Tu, Qing; Spanopoulos, Ioannis; Vasileiadou, Eugenia Savvas; Li, Xiaotong; Kanatzidis, Mercouri G.; Shekhawat, Gajendra S.; Dravid, Vinayak P.","Exploring the Factors Affecting the Mechanical Properties of 2D Hybrid Organic-Inorganic Perovskites.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02313","","x-ray","0.71359","MoKα","","0.0216","0.0195","","","0.0465","0.0469","","","","1.72","1.72","1.69","","","","has coordinates","251020","2020-10-21","18:00:00",""
"4517595","9.9098","0.0003","16.2274","0.0005","26.3625","0.0011","90","","99.482","0.003","90","","4181.4","0.3","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C150 O2 S4 -","- C150 O2 S4 -","- C300 O4 S8 -","2","0.5","","Li, Shu-Hui; Xing, Zhou; Wu, Bao-Shan; Chen, Zuo-Chang; Yao, Yang-Rong; Tian, Han-Rui; Li, Meng-Fan; Yun, Da-Qin; Deng, Lin-Long; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","Hybrid Fullerene-Based Electron Transport Layers Improving the Thermal Stability of Perovskite Solar Cells.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02119","","x-ray","1.54184","CuKα","","0.1779","0.1545","","","0.3304","0.3455","","","","","","1.025","","","","has coordinates,has disorder","251021","2020-10-21","18:00:00",""
"4517596","9.9634","0.0009","10.4671","0.0008","19.4469","0.001","91.567","0.005","100.133","0.006","97.856","0.007","1975","0.3","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C153 H32 S2 -","- C153 H32 S2 -","- C153 H32 S2 -","1","0.5","","Li, Shu-Hui; Xing, Zhou; Wu, Bao-Shan; Chen, Zuo-Chang; Yao, Yang-Rong; Tian, Han-Rui; Li, Meng-Fan; Yun, Da-Qin; Deng, Lin-Long; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","Hybrid Fullerene-Based Electron Transport Layers Improving the Thermal Stability of Perovskite Solar Cells.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02119","","x-ray","1.54184","CuKα","","0.1251","0.0937","","","0.2442","0.2716","","","","","","1.048","","","","has coordinates,has disorder","251022","2020-10-21","18:00:00",""
"4517597","24.3892","0.0005","17.9795","0.0004","19.0562","0.0004","90","","102.934","0.002","90","","8144.2","0.3","99.99","0.1","99.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H14 O2 S4 -","- C72 H14 O2 S4 -","- C576 H112 O16 S32 -","8","1","","Li, Shu-Hui; Xing, Zhou; Wu, Bao-Shan; Chen, Zuo-Chang; Yao, Yang-Rong; Tian, Han-Rui; Li, Meng-Fan; Yun, Da-Qin; Deng, Lin-Long; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","Hybrid Fullerene-Based Electron Transport Layers Improving the Thermal Stability of Perovskite Solar Cells.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02119","","x-ray","1.54184","CuKα","","0.0746","0.0696","","","0.1956","0.2031","","","","","","1.069","","","","has coordinates","251023","2020-10-21","18:00:00",""
"4517598","7.7639","0.0011","9.7745","0.0015","16.044","0.003","90.123","0.007","96.248","0.006","112.826","0.006","1114.2","0.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","1375_diff_tol","","","- C23 H28 N2 O2 S -","- C23 H28 N2 O2 S -","- C46 H56 N4 O4 S2 -","2","2","","Rigotti, Thomas; Mas-Ballesté, Rubén; Alemán, José","Enantioselective Aminocatalytic [2 + 2] Cycloaddition through Visible Light Excitation","ACS Catalysis","2020","10","9","5335","5346","10.1021/acscatal.0c01413","","","0.71073","MoKα","","0.1243","0.0517","","","0.1085","0.143","","","","","","1.017","","","","has coordinates","257011","2020-10-21","18:00:00",""
"4517599","27.793","0.004","5.8115","0.0006","7.5423","0.0009","90","","92.799","0.009","90","","1216.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Na2 O5 -","- C14 H10 Na2 O5 -","- C56 H40 Na8 O20 -","4","1","","Wu, Hongwei; Gu, Long; Baryshnikov, Glib V.; Wang, Hou; Minaev, Boris F.; Agren, Hans; Zhao, Yanli","Molecular Phosphorescence in Polymer Matrix with Reversible Sensitivity.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c04859","","","0.71073","MoKα","","0.1473","0.1066","","","0.2603","0.2888","","","","","","1.05","","","","has coordinates","251078","2020-10-21","18:00:00",""
"4517600","7.1183","0.0002","5.9626","0.0002","29.6753","0.0009","90","","90","","90","","1259.53","0.07","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","0.5","","Wu, Hongwei; Gu, Long; Baryshnikov, Glib V.; Wang, Hou; Minaev, Boris F.; Agren, Hans; Zhao, Yanli","Molecular Phosphorescence in Polymer Matrix with Reversible Sensitivity.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c04859","","","0.71073","MoKα","","0.0656","0.0467","","","0.117","0.1317","","","","","","1.058","","","","has coordinates","251080","2020-10-21","18:00:00",""
"4517601","18.0031","0.0008","12.0358","0.0006","7.5303","0.0004","90","","99.337","0.002","90","","1610.06","0.14","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O3 -","- C22 H16 O3 -","- C88 H64 O12 -","4","1","","Popova, Marina; Soboleva, Tatiana; Benninghoff, Abby D.; Berreau, Lisa M.","CO Sense and Release Flavonols: Progress toward the Development of an Analyte Replacement PhotoCORM for Use in Living Cells","ACS Omega","2020","","","","","10.1021/acsomega.0c00409","","x-ray","0.71073","MoKα","","0.051","0.0398","","","0.0986","0.1054","","","","","","1.027","","","","has coordinates","251081","2020-10-21","18:00:00",""
"4517602","20.065","0.003","21.913","0.003","16.255","0.003","90","","98.773","0.005","90","","7063.5","1.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C74 H30 F16 Fe2 N8 O -","- C74 H30 F16 Fe2 N8 O -","- C296 H120 F64 Fe8 N32 O4 -","4","1","","Thomas, Kolle E.; Settineri, Nicholas S.; Teat, Simon J.; Steene, Erik; Ghosh, Abhik","Molecular Structure of Copper and μ-Oxodiiron Octafluorocorrole Derivatives: Insights into Ligand Noninnocence","ACS Omega","2020","","","","","10.1021/acsomega.0c01035","","","0.7288","Synchrotron","","0.0696","0.0669","","","0.1728","0.1774","","","","","","1.082","","","","has coordinates","251082","2020-10-21","18:00:00",""
"4517603","23.636","0.002","34.02","0.003","30.888","0.003","90","","102.819","0.003","90","","24218","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37.86 H16.14 Cl2.14 Cu F8 N4 O0.14 -","- C37.8571 H16.1429 Cl2.14286 Cu F8 N4 O0.142857 -","- C1060 H452 Cl60 Cu28 F224 N112 O4 -","28","7","","Thomas, Kolle E.; Settineri, Nicholas S.; Teat, Simon J.; Steene, Erik; Ghosh, Abhik","Molecular Structure of Copper and μ-Oxodiiron Octafluorocorrole Derivatives: Insights into Ligand Noninnocence","ACS Omega","2020","","","","","10.1021/acsomega.0c01035","","","0.7288","Synchrotron","","0.0861","0.0779","","","0.2075","0.2137","","","","","","1.034","","","","has coordinates,has disorder","251083","2020-10-21","18:00:00",""
"4517604","10.0412","0.0004","15.8623","0.0006","15.2487","0.0005","90","","91.963","0.004","90","","2427.33","0.16","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H39 Au Cl P -","- C26 H39 Au Cl P -","- C104 H156 Au4 Cl4 P4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","0.71073","MoKα","","0.0223","0.0185","","","0.0387","0.0399","","","","","","1.043","","","","has coordinates","257040","2020-10-21","18:00:00",""
"4517605","8.8317","0.0004","22.6453","0.0009","9.2451","0.0006","90","","106.967","0.006","90","","1768.51","0.17","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H28 F3 O3 P S -","- C13 H28 F3 O3 P S -","- C52 H112 F12 O12 P4 S4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","1.54184","CuKα","","0.0866","0.0823","","","0.2221","0.2282","","","","","","1.046","","","","has coordinates,has disorder","257040","2020-10-21","18:00:00",""
"4517606","7.362","0.0002","16.8285","0.0003","25.1572","0.0005","90","","90","","90","","3116.76","0.12","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H52 F3 O3 P S -","- C31 H52 F3 O3 P S -","- C124 H208 F12 O12 P4 S4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","1.54184","CuKα","","0.0692","0.0666","","","0.1796","0.1837","","","","","","1.041","","","","has coordinates","257040","2020-10-21","18:00:00",""
"4517607","9.5","0.0002","10.6274","0.0002","18.6029","0.0004","90","","100.595","0.002","90","","1846.13","0.07","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H28 F3 O3 P S -","- C15 H28 F3 O3 P S -","- C60 H112 F12 O12 P4 S4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","1.54184","CuKα","","0.0574","0.0522","","","0.1293","0.1341","","","","","","1.04","","","","has coordinates","257040","2020-10-21","18:00:00",""
"4517608","11.9313","0.0002","15.6446","0.0002","15.2881","0.0002","90","","109.268","0.002","90","","2693.84","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Au Cl P -","- C32 H39 Au Cl P -","- C128 H156 Au4 Cl4 P4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","0.71073","MoKα","","0.0587","0.0344","","","0.0687","0.0717","","","","","","0.923","","","","has coordinates","257040","2020-10-21","18:00:00",""
"4517609","10.1139","0.0002","12.6246","0.0003","13.5249","0.0003","111.882","0.002","109.918","0.002","96.579","0.002","1447.74","0.07","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H39 P -","- C34 H39 P -","- C68 H78 P2 -","2","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","1.54184","CuKα","","0.0435","0.0381","","","0.1005","0.1057","","","","","","1.043","","","","has coordinates,has disorder","257040","2020-10-21","18:00:00",""
"4517610","10.66","0.0003","11.355","0.0003","23.7632","0.0007","90","","100.803","0.003","90","","2825.42","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 Au Cl P -","- C30 H47 Au Cl P -","- C120 H188 Au4 Cl4 P4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","0.71073","MoKα","","0.0619","0.0371","","","0.0566","0.0626","","","","","","1.116","","","","has coordinates,has disorder","257040","2020-10-21","18:00:00",""
"4517611","11.1508","0.0002","18.5177","0.0004","21.1099","0.0005","90","","100.488","0.002","90","","4286.1","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 F3 O3 P S -","- C21 H32 F3 O3 P S -","- C168 H256 F24 O24 P8 S8 -","8","2","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","1.54184","CuKα","","0.0746","0.0642","","","0.1644","0.1749","","","","","","1.039","","","","has coordinates,has disorder","257040","2020-10-21","18:00:00",""
"4517612","8.7107","0.0002","9.9662","0.0003","25.5485","0.0006","90","","96.659","0.002","90","","2202.97","0.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H31.22 Au Cl O0.11 P -","- C24 H31 Au Cl O0.11 P -","- C96 H124 Au4 Cl4 O0.44 P4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","0.71073","MoKα","","0.0208","0.0168","","","0.0322","0.0336","","","","","","1.033","","","","has coordinates,has disorder","257040","2020-10-21","18:00:00",""
"4517613","11.5515","0.0002","18.5889","0.0002","17.7571","0.0002","90","","99.907","0.001","90","","3756.12","0.09","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40.9 H35.8 Cl1.8 F3 O3 P S -","- C40.9 H35.8 Cl1.8 F3 O3 P S -","- C163.6 H143.2 Cl7.2 F12 O12 P4 S4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","1.54184","CuKα","","0.0726","0.0701","","","0.1794","0.1818","","","","","","1.026","","","","has coordinates,has disorder","257040","2020-10-21","18:00:00",""
"4517614","10.0872","0.0003","14.0744","0.0006","16.7016","0.0005","78.85","0.003","81.86","0.002","78.924","0.003","2269.59","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H68 Au2 Cl2 P2 -","- C47 H68 Au2 Cl2 P2 -","- C94 H136 Au4 Cl4 P4 -","2","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","0.71073","MoKα","","0.0462","0.0285","","","0.0483","0.0539","","","","","","1.034","","","","has coordinates,has disorder","257040","2020-10-21","18:00:00",""
"4517615","10.0134","0.0002","14.7285","0.0003","15.0955","0.0003","90","","92.029","0.002","90","","2224.92","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H35 Au Cl P -","- C24 H35 Au Cl P -","- C96 H140 Au4 Cl4 P4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","0.71073","MoKα","","0.0355","0.0249","","","0.0467","0.0506","","","","","","1.054","","","","has coordinates","257040","2020-10-21","18:00:00",""
"4517616","17.478","0.0003","10.4898","0.0002","17.7113","0.0004","90","","99.9348","0.0018","90","","3198.51","0.11","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H24 F3 O3 P S -","- C11 H24 F3 O3 P S -","- C88 H192 F24 O24 P8 S8 -","8","2","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","1.54184","CuKα","","0.0388","0.0326","","","0.0852","0.0902","","","","","","1.02","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4517617","10.7821","0.0003","20.369","0.0004","11.1066","0.0003","90","","106.794","0.003","90","","2335.2","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 Au Cl P -","- C26 H35 Au Cl P -","- C104 H140 Au4 Cl4 P4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","1.54184","CuKα","","0.0188","0.0177","","","0.0428","0.0433","","","","","","1.081","","","","has coordinates","257040","2020-10-21","18:00:00",""
"4517618","19.023","0.004","8.5687","0.0017","21.327","0.004","90","","113.37","0.03","90","","3191.2","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H46 N3 O2 P Ru -","- C33 H46 N3 O2 P Ru -","- C132 H184 N12 O8 P4 Ru4 -","4","1","","Kar, Sayan; Rauch, Michael; Kumar, Amit; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Selective Room-Temperature Hydrogenation of Amides to Amines and Alcohols Catalyzed by a Ruthenium Pincer Complex and Mechanistic Insight","ACS Catalysis","2020","","","5511","5515","10.1021/acscatal.0c01406","","","0.71073","MoKα","","0.0465","0.0343","","","0.0806","0.0868","","","","","","1.09","","","","has coordinates","257049","2020-10-21","18:00:00",""
"4517619","11.41","0.0004","38.9819","0.0012","18.2057","0.0007","90","","97.329","0.003","90","","8031.4","0.5","170.01","0.1","170.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H80 Br2 N4 Ni -","- C90 H80 Br2 N4 Ni -","- C360 H320 Br8 N16 Ni4 -","4","1","","Zada, Muhammad; Vignesh, Arumugam; Guo, Liwei; Zhang, Randi; Zhang, Wenjuan; Ma, Yanping; Sun, Yang; Sun, Wen-Hua","Sterically and Electronically Modified Aryliminopyridyl-Nickel Bromide Precatalysts for an Access to Branched Polyethylene with Vinyl/Vinylene End Groups","ACS Omega","2020","","","","","10.1021/acsomega.0c01208","","","0.71073","MoKα","","0.1336","0.0859","","","0.1759","0.1933","","","","","","1.063","","","","has coordinates","251217","2020-10-21","18:00:00",""
"4517620","15.6936","0.0004","18.8357","0.0005","14.8346","0.0007","90","","92.195","0.003","90","","4381.9","0.3","170.01","0.1","170.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H37 Br2 F N2 Ni O -","- C43 H37 Br2 F N2 Ni O -","- C172 H148 Br8 F4 N8 Ni4 O4 -","4","1","","Zada, Muhammad; Vignesh, Arumugam; Guo, Liwei; Zhang, Randi; Zhang, Wenjuan; Ma, Yanping; Sun, Yang; Sun, Wen-Hua","Sterically and Electronically Modified Aryliminopyridyl-Nickel Bromide Precatalysts for an Access to Branched Polyethylene with Vinyl/Vinylene End Groups","ACS Omega","2020","","","","","10.1021/acsomega.0c01208","","x-ray","0.71073","MoKα","","0.1089","0.0615","","","0.1333","0.1496","","","","","","1.04","","","","has coordinates","251217","2020-10-21","18:00:00",""
"4517621","24.49","0.004","31.655","0.005","8.3979","0.0012","90","","90","","90","","6510.3","1.7","100","","100","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C23 H16 Br Cl Eu N3 O7 -","- C23 H16 Br Cl Eu N3 O7 -","- C184 H128 Br8 Cl8 Eu8 N24 O56 -","8","1","","Gupta, Kritika; Patra, Ashis K.","Luminescent Europium(III) 'Turn-ON' Sensor for G-series Chemical Warfare Simulants: A Mechanistic Investigation.","ACS sensors","2020","","","","","10.1021/acssensors.9b02552","","","0.71073","MoKα","","0.0815","0.0584","","","0.1369","0.1515","","","","","","1.029","","","","has coordinates","251218","2020-10-21","18:00:00",""
"4517622","14.6776","0.0005","20.6265","0.0007","62.33","0.002","90","","90","","90","","18870.3","1.1","297","2","297.58","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H76 Cl4 N2 Zn -","- C42 H76 Cl4 N2 Zn -","- C672 H1216 Cl64 N32 Zn16 -","16","2","","Dubovoy, Viktor; Nawrocki, Shiri; Verma, Gaurav; Wojtas, Lukasz; Desai, Primit; Al-Tameemi, Hassan; Brinzari, Tatiana V.; Stranick, Michael; Chen, Dailin; Xu, Shaopeng; Ma, Shengqian; Boyd, Jeffrey M.; Asefa, Tewodros; Pan, Long","Synthesis, Characterization, and Investigation of the Antimicrobial Activity of Cetylpyridinium Tetrachlorozincate","ACS Omega","2020","","","","","10.1021/acsomega.0c00131","","","1.54178","CuKα","","0.114","0.0553","","","0.0969","0.118","","","","","","1.028","","","","has coordinates","251272","2020-10-21","18:00:00",""
"4517623","14.0801","0.0003","20.5166","0.0004","62.5674","0.0012","90","","90","","90","","18074.2","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H76 Cl4 N2 O0.13 Zn -","- C42 H76 Cl4 N2 O0.133 Zn -","- C672 H1216 Cl64 N32 O2.128 Zn16 -","16","2","","Dubovoy, Viktor; Nawrocki, Shiri; Verma, Gaurav; Wojtas, Lukasz; Desai, Primit; Al-Tameemi, Hassan; Brinzari, Tatiana V.; Stranick, Michael; Chen, Dailin; Xu, Shaopeng; Ma, Shengqian; Boyd, Jeffrey M.; Asefa, Tewodros; Pan, Long","Synthesis, Characterization, and Investigation of the Antimicrobial Activity of Cetylpyridinium Tetrachlorozincate","ACS Omega","2020","","","","","10.1021/acsomega.0c00131","","","1.54178","CuKα","","0.0772","0.0481","","","0.09","0.0997","","","","","","1.043","","","","has coordinates","251273","2020-10-21","18:00:00",""
"4517624","7.9914","0.0002","19.2773","0.0006","12.1358","0.0003","90","","90.712","0.002","90","","1869.41","0.09","292.8","0.4","292.8","0.4","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 N O5 S -","- C19 H17 N O5 S -","- C76 H68 N4 O20 S4 -","4","2","","Zhang, Hongkui; Jiang, Chunhui; Tan, Jian-Ping; Hu, Hui-Lin; Chen, Yayun; Ren, Xiaoyu; Zhang, Hong-Su; Wang, Tianli","Highly Enantioselective Construction of Fully Substituted Stereocenters Enabled by In Situ Phosphonium-Containing Organocatalysis","ACS Catalysis","2020","","","5698","5706","10.1021/acscatal.0c01079","","x-ray","1.54184","CuKα","","0.0552","0.0534","","","0.1395","0.1434","","","","","","1.051","","","","has coordinates","257034","2020-10-21","18:00:00",""
"4517625","24.3244","0.0009","12.278","0.0005","17.7756","0.0006","90","","112.772","0.002","90","","4895","0.3","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Br1.25 Cu I N3 O -","- C24 H19 Br1.25 Cu I N3 O -","- C192 H152 Br10 Cu8 I8 N24 O8 -","8","1","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.1382","0.1034","","","0.2692","0.2998","","","","","","1.035","","","","has coordinates","251395","2020-10-21","18:00:00",""
"4517626","25.122","0.003","11.9422","0.0011","17.937","0.002","90","","113.817","0.005","90","","4923","0.9","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H42 Cl4 Cu2 I2 N6 O2 -","- C48 H42 Cl4 Cu2 I2 N6 O2 -","- C192 H168 Cl16 Cu8 I8 N24 O8 -","4","0.5","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.0719","0.0554","","","0.1333","0.1486","","","","","","1.094","","","","has coordinates","251396","2020-10-21","18:00:00",""
"4517627","23.8568","0.0009","12.7232","0.0005","17.6759","0.0007","90","","112.562","0.002","90","","4954.6","0.3","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 Cu I N3 O -","- C29 H24 Cu I N3 O -","- C232 H192 Cu8 I8 N24 O8 -","8","1","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.0633","0.0457","","","0.1227","0.1341","","","","","","1.074","","","","has coordinates","251397","2020-10-21","18:00:00",""
"4517628","12.5064","0.0012","13.6759","0.0012","17.512","0.0016","109.965","0.004","89.613","0.004","114.963","0.004","2518.8","0.4","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H48 Cu2 I2 N8 O2 -","- C56 H48 Cu2 I2 N8 O2 -","- C112 H96 Cu4 I4 N16 O4 -","2","1","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.073","0.0477","","","0.0973","0.1148","","","","","","1.109","","","","has coordinates","251398","2020-10-21","18:00:00",""
"4517629","24.6615","0.0009","12.0846","0.0005","18.0322","0.0007","90","","113.58","0.002","90","","4925.3","0.3","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H19 Cl2 Cu I N3 O -","- C23 H19 Cl2 Cu I N3 O -","- C184 H152 Cl16 Cu8 I8 N24 O8 -","8","1","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.1354","0.1075","","","0.2353","0.2519","","","","","","1.157","","","","has coordinates","251399","2020-10-21","18:00:00",""
"4517630","24.184","0.01","12.642","0.006","17.903","0.008","90","","113.189","0.004","90","","5031","4","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 Cu I N3 O2 -","- C22 H17 Cu I N3 O2 -","- C176 H136 Cu8 I8 N24 O16 -","8","1","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.1894","0.0729","","","0.203","0.2534","","","","","","1.023","","","","has coordinates,has disorder","251400","2020-10-21","18:00:00",""
"4517631","18.18","0.002","11.85","0.001","24.082","0.003","90","","109.299","0.008","90","","4896.5","0.9","100","2","100","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C24 H22 Cu I N3 O3 -","- C24 H22 Cu I N3 O3 -","- C192 H176 Cu8 I8 N24 O24 -","8","1","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.1494","0.1348","","","0.2927","0.3017","","","","","","1.168","","","","has coordinates","251401","2020-10-21","18:00:00",""
"4517632","23.576","0.0019","12.8738","0.0011","17.7114","0.0014","90","","110.88","0.002","90","","5022.6","0.7","100","2","100.03","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H45 Cu2 I2 N7 O2 -","- C56 H45 Cu2 I2 N7 O2 -","- C224 H180 Cu8 I8 N28 O8 -","4","1","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.1322","0.0817","","","0.1677","0.2034","","","","","","1.091","","","","has coordinates","251402","2020-10-21","18:00:00",""
"4517633","23.696","0.004","12.9253","0.0019","17.71","0.003","90","","111.762","0.002","90","","5037.6","1.4","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Cu I N3 O -","- C28 H22 Cu I N3 O -","- C224 H176 Cu8 I8 N24 O8 -","8","1","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.081","0.0641","","","0.1358","0.1507","","","","","","1.071","","","","has coordinates","251403","2020-10-21","18:00:00",""
"4517634","24.2935","0.0009","12.633","0.0005","17.7632","0.0006","90","","113.007","0.001","90","","5017.9","0.3","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H22.64 Cu I N4 O -","- C29 H22.6416 Cu I N4 O -","- C232 H181.133 Cu8 I8 N32 O8 -","8","1","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.0779","0.0662","","","0.1755","0.1907","","","","","","1.047","","","","has coordinates,has disorder","251404","2020-10-21","18:00:00",""
"4517635","23.918","0.0009","12.742","0.0005","17.8041","0.0007","90","","112.848","0.002","90","","5000.3","0.3","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H21 Cl1.5 Cu I N3 O -","- C28 H21 Cl1.5 Cu I N3 O -","- C224 H168 Cl12 Cu8 I8 N24 O8 -","8","1","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.1017","0.0812","","","0.2275","0.256","","","","","","1.035","","","","has coordinates","251405","2020-10-21","18:00:00",""
"4517636","12.166","0.004","13.376","0.005","18.035","0.005","68.76","0.02","74.17","0.02","66.27","0.02","2476.3","1.5","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H36 Cl6 Cu2 I2 N6 O2 -","- C46 H35 Cl6 Cu2 I2 N6 O2 -","- C92 H70 Cl12 Cu4 I4 N12 O4 -","2","1","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.203","0.1083","","","0.2767","0.3533","","","","","","1.228","","","","has coordinates","251406","2020-10-21","18:00:00",""
"4517637","24.282","0.003","12.437","0.0014","17.961","0.002","90","","112.1","0.004","90","","5025.6","1","109","2","108.77","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H15.95 Cl4 Cu I N3 O -","- C23 H15.947 Cl4 Cu I N3 O -","- C184 H127.576 Cl32 Cu8 I8 N24 O8 -","8","1","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.1089","0.0983","","","0.2325","0.2385","","","","","","1.266","","","","has coordinates,has disorder","251407","2020-10-21","18:00:00",""
"4517638","5.383","0.003","12.923","0.007","43.54","0.02","90","","90","","90","","3029","3","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H8 N28 O14 -","- C16 H8 N28 O14 -","- C64 H32 N112 O56 -","4","1","","Zhai, Lianjie; Bi, Fuqiang; Zhang, Junlin; Zhang, Jiarong; Li, Xiangzhi; Wang, Bozhou; Chen, Sanping","3,4-Bis(3-tetrazolylfuroxan-4-yl)furoxan: A Linear C-C Bonded Pentaheterocyclic Energetic Material with High Heat of Formation and Superior Performance.","ACS omega","2020","5","19","11115","11122","10.1021/acsomega.0c01048","","","0.71073","MoKα","","0.0707","0.0432","","","0.0899","0.0993","","","","","","0.99","","","","has coordinates","252590","2020-10-21","18:00:00",""
"4517639","13.5688","0.0014","11.1801","0.001","11.1208","0.001","90","","90","","90","","1687","0.3","293","2","293","2","","","","","","","","2","P 21 21 2","P 2 2ab","18","","","","- C20 H32 -","- C20 H32 -","- C80 H128 -","4","1","","Li, Zhong; Jiang, Yuanyuan; Zhang, Xingwang; Chang, Yimin; Li, Shuai; Zhang, Xiaomin; Zheng, Shanmin; Geng, Ce; Men, Ping; Ma, Li; Yang, Ying; Gao, Zhengquan; Tang, Ya-Jie; Li, Shengying","Fragrant Venezuelaenes A and B with A 5‒5‒6‒7 Tetracyclic Skeleton: Discovery, Biosynthesis, and Mechanisms of Central Catalysts","ACS Catalysis","2020","10","10","5846","5851","10.1021/acscatal.0c01575","","","1.54184","CuKα","","0.0756","0.053","","","0.1274","0.1488","","","","","","1.026","","","","has coordinates","256989","2020-10-21","18:00:00",""
"4517640","6.6642","0.0004","7.7286","0.0005","15.5866","0.001","90","","95.532","0.002","90","","799.05","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H18 Br N O -","- C19 H18 Br N O -","- C38 H36 Br2 N2 O2 -","2","1","","Jadhav, Prakash D.; Chen, Jia-Xuan; Liu, Rai-Shung","Gold(I)-Catalyzed Highly Enantioselective [4 + 2]-Annulations of Cyclopentadienes with Nitrosoarenes via Nitroso-Povarov versus Oxidative Nitroso-Povarov Reactions","ACS Catalysis","2020","","","5840","","10.1021/acscatal.0c01293","","","0.71073","MoKα","","0.0307","0.0263","","","0.0529","0.054","","","","","","0.998","","","","has coordinates","251749","2020-10-21","18:00:00",""
"4517641","6.4745","0.0005","6.9054","0.0005","18.0777","0.0014","90","","99.293","0.002","90","","797.63","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Br N O2 -","- C19 H16 Br N O2 -","- C38 H32 Br2 N2 O4 -","2","1","","Jadhav, Prakash D.; Chen, Jia-Xuan; Liu, Rai-Shung","Gold(I)-Catalyzed Highly Enantioselective [4 + 2]-Annulations of Cyclopentadienes with Nitrosoarenes via Nitroso-Povarov versus Oxidative Nitroso-Povarov Reactions","ACS Catalysis","2020","","","5840","","10.1021/acscatal.0c01293","","","0.71073","MoKα","","0.0229","0.0217","","","0.0518","0.0661","","","","","","1.09","","","","has coordinates","251750","2020-10-21","18:00:00",""
"4517642","10.509","0.002","8.293","0.002","15.916","0.003","90","0.03","93.31","0.03","90","0.03","1384.8","0.5","190","2","190","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 N4 -","- C16 H18 N4 -","- C64 H72 N16 -","4","2","","Luo, Xu-Feng; Han, Hua-Bo; Yan, Zhi-Ping; Wu, Zheng-Guang; Su, Jian; Zou, Jian-Wei; Zhu, Zi-Qi; Zheng, You-Xuan; Zuo, Jing-Lin","Multi-color Circularly Polarized Photoluminescence and Electroluminescence with 1,2-Diaminecyclohexane Enantiomers.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02400","","","1.34139","GaKα","","0.0468","0.0406","","","0.1387","0.1586","","","","","","0.694","","","","has coordinates","251811","2020-10-21","18:00:00",""
"4517643","10.274","0.002","8.37","0.002","16.094","0.003","90","0.03","93.1","0.03","90","0.03","1382","0.5","190","2","190","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N4 -","- C16 H18 N4 -","- C64 H72 N16 -","4","1","","Luo, Xu-Feng; Han, Hua-Bo; Yan, Zhi-Ping; Wu, Zheng-Guang; Su, Jian; Zou, Jian-Wei; Zhu, Zi-Qi; Zheng, You-Xuan; Zuo, Jing-Lin","Multi-color Circularly Polarized Photoluminescence and Electroluminescence with 1,2-Diaminecyclohexane Enantiomers.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02400","","","1.34139","GaKα","","0.1462","0.1345","","","0.2601","0.2654","","","","","","1.115","","","","has coordinates","251812","2020-10-21","18:00:00",""
"4517644","11.5544","0.0005","19.6985","0.0007","14.4539","0.0006","90","","100.545","0.002","90","","3234.2","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 N6 -","- C40 H34.998 N6 -","- C160 H139.992 N24 -","4","1","","Luo, Xu-Feng; Han, Hua-Bo; Yan, Zhi-Ping; Wu, Zheng-Guang; Su, Jian; Zou, Jian-Wei; Zhu, Zi-Qi; Zheng, You-Xuan; Zuo, Jing-Lin","Multi-color Circularly Polarized Photoluminescence and Electroluminescence with 1,2-Diaminecyclohexane Enantiomers.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02400","","","0.71073","MoKα","","0.1464","0.1275","","","0.2778","0.2863","","","","","","1.183","","","","has coordinates,has disorder","251813","2020-10-21","18:00:00",""
"4517645","25.7273","0.0012","25.7273","0.0012","25.9151","0.001","90","","90","","120","","14855","1.1","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40.33 H36.67 Cl0.67 N6 -","- C40.33 H36 Cl0.666667 N6 -","- C725.94 H648 Cl12 N108 -","18","1","","Luo, Xu-Feng; Han, Hua-Bo; Yan, Zhi-Ping; Wu, Zheng-Guang; Su, Jian; Zou, Jian-Wei; Zhu, Zi-Qi; Zheng, You-Xuan; Zuo, Jing-Lin","Multi-color Circularly Polarized Photoluminescence and Electroluminescence with 1,2-Diaminecyclohexane Enantiomers.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02400","","","0.71073","MoKα","","0.1363","0.1035","","","0.2221","0.2372","","","","","","1.164","","","","has coordinates,has disorder","251814","2020-10-21","18:00:00",""
"4517646","21.1057","0.0012","7.7008","0.0005","12.7349","0.0007","90","","106.92","0.002","90","","1980.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H44 B2 N2 -","- C52 H44 B2 N2 -","- C104 H88 B4 N4 -","2","0.5","","Hsieh, Chia-Min; Wu, Tien-Lin; Jayakumar, Jayachandran; Wang, Ying-Chun; Ko, Chang-Lun; Hung, Wen-Yi; Lin, Tzu-Chieh; Wu, Hsin-Hui; Lin, Kuan-Heng; Lin, Cheng-Hung; Hsieh, Shuchen; Cheng, Chien-Hong","Diboron-based Delayed Fluorescent Emitters with Orange-to-red Emission and Superior OLEDs Efficiency.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c03711","","","0.71073","MoKα","","0.0811","0.05","","","0.1317","0.1491","","","","","","1.002","","","","has coordinates","251847","2020-10-21","18:00:00",""
"4517647","15.601","0.004","8.0342","0.0018","17.108","0.004","90","","93.21","0.007","90","","2141","0.9","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Cl N3 O2 Ru -","- C25 H22 Cl N3 O2 Ru -","- C100 H88 Cl4 N12 O8 Ru4 -","4","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Sukhikh, Taisiya S.; Gushchin, Artem L.; Ivanov, Alexander Yu; Tennikova, Tatiana B.; Sharoyko, Vladimir V.; Baykov, Sergey V.; Benassi, Enrico; Potapov, Andrei S.","Arene-Ruthenium(II) Complexes Containing 11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one Derivatives and Tryptanthrin-6-oxime: Synthesis, Characterization, Cytotoxicity, and Catalytic Transfer Hydrogenation of Aryl Ketones.","ACS omega","2020","5","19","11167","11179","10.1021/acsomega.0c01204","","","0.71073","MoKα","","0.0211","0.019","","","0.0508","0.0525","","","","","","1.069","","","","has coordinates","252591","2020-10-21","18:00:00",""
"4517648","15.3365","0.001","8.0892","0.0006","17.0781","0.0014","90","","93.968","0.002","90","","2113.6","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Cl N3 O Ru -","- C25 H22 Cl N3 O Ru -","- C100 H88 Cl4 N12 O4 Ru4 -","4","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Sukhikh, Taisiya S.; Gushchin, Artem L.; Ivanov, Alexander Yu; Tennikova, Tatiana B.; Sharoyko, Vladimir V.; Baykov, Sergey V.; Benassi, Enrico; Potapov, Andrei S.","Arene-Ruthenium(II) Complexes Containing 11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one Derivatives and Tryptanthrin-6-oxime: Synthesis, Characterization, Cytotoxicity, and Catalytic Transfer Hydrogenation of Aryl Ketones.","ACS omega","2020","5","19","11167","11179","10.1021/acsomega.0c01204","","","0.71073","MoKα","","0.0273","0.0224","","","0.054","0.0565","","","","","","1.026","","","","has coordinates","252591","2020-10-21","18:00:00",""
"4517649","34.0106","0.0013","12.5712","0.0005","20.0181","0.0008","90","","123.395","0.001","90","","7145.7","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H41 Cl3 N4 O2.5 Ru2 -","- C35.5 H39.4997 Cl3 N4 O2.4999 Ru2 -","- C284 H315.998 Cl24 N32 O19.9992 Ru16 -","8","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Sukhikh, Taisiya S.; Gushchin, Artem L.; Ivanov, Alexander Yu; Tennikova, Tatiana B.; Sharoyko, Vladimir V.; Baykov, Sergey V.; Benassi, Enrico; Potapov, Andrei S.","Arene-Ruthenium(II) Complexes Containing 11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one Derivatives and Tryptanthrin-6-oxime: Synthesis, Characterization, Cytotoxicity, and Catalytic Transfer Hydrogenation of Aryl Ketones.","ACS omega","2020","5","19","11167","11179","10.1021/acsomega.0c01204","","","0.71073","MoKα","","0.0447","0.0313","","","0.0724","0.0788","","","","","","1.02","","","","has coordinates,has disorder","252591","2020-10-21","18:00:00",""
"4517650","18.414","0.002","16.071","0.002","7.6248","0.0011","90","","97.453","0.004","90","","2237.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25.5 H24.5 Cl N4.5 O1.5 Ru -","- C25.5 H24.5 Cl N4.5 O1.5 Ru -","- C102 H98 Cl4 N18 O6 Ru4 -","4","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Sukhikh, Taisiya S.; Gushchin, Artem L.; Ivanov, Alexander Yu; Tennikova, Tatiana B.; Sharoyko, Vladimir V.; Baykov, Sergey V.; Benassi, Enrico; Potapov, Andrei S.","Arene-Ruthenium(II) Complexes Containing 11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one Derivatives and Tryptanthrin-6-oxime: Synthesis, Characterization, Cytotoxicity, and Catalytic Transfer Hydrogenation of Aryl Ketones.","ACS omega","2020","5","19","11167","11179","10.1021/acsomega.0c01204","","","0.71073","MoKα","","0.0424","0.0296","","","0.0597","0.0639","","","","","","1.023","","","","has coordinates,has disorder","252591","2020-10-21","18:00:00",""
"4517651","16.1983","0.0015","6.9475","0.0007","18.7656","0.0017","90","","94.386","0.003","90","","2105.7","0.3","110","2","110","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C14 H24 Fe K2 N3 O13 -","- C14 H24 Fe K2 N3 O13 -","- C56 H96 Fe4 K8 N12 O52 -","4","1","","Waters, Scott E.; Robb, Brian H.; Marshak, Michael P.","Effect of Chelation on Iron‒Chromium Redox Flow Batteries","ACS Energy Letters","2020","","","1758","1762","10.1021/acsenergylett.0c00761","","","0.71073","MoKα","","0.0359","0.0315","","","0.0768","0.0793","","","","","","1.136","","","","has coordinates","257082","2020-10-21","18:00:00",""
"4517652","11.0421","0.0002","24.1416","0.0004","24.0743","0.0004","90","","90.606","0.001","90","","6417.22","0.19","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 Cl5 N2 P4 Sb -","- C72 H60 Cl5 N2 P4 Sb -","- C288 H240 Cl20 N8 P16 Sb4 -","4","1","","He, Qingquan; Zhou, Chenkun; Xu, Liangjin; Lee, Sujin; Lin, Xinsong; Neu, Jennifer; Worku, Michael; Chaaban, Maya; Ma, Biwu","Highly Stable Organic Antimony Halide Crystals for X-ray Scintillation","ACS Materials Letters","2020","2","6","633","638","10.1021/acsmaterialslett.0c00133","","x-ray","0.71073","MoKα","","0.047","0.0346","","","0.084","0.0881","","","","","","1.086","","","","has coordinates","257088","2020-10-21","18:00:00",""
"4517653","7.4599","0.0001","21.2716","0.0002","31.6447","0.0003","90","","90","","90","","5021.51","0.1","90.15","","90.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 O4 Si -","- C14 H28 O4 Si -","- C168 H336 O48 Si12 -","12","3","","Yoshikawa, Yusuke; Ishibashi, Airi; Takehara, Tsunayoshi; Suzuki, Takeyuki; Murai, Kenichi; Kaneda, Yasufumi; Nimura, Keisuke; Arisawa, Mitsuhiro","Design and Synthesis of 1,2-Deoxy-pyranose Derivatives of Spliceostatin A toward Prostate Cancer Treatment","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00153","","x-ray","1.54184","CuKα","","0.0369","0.0346","","","0.0865","0.0876","","","","","","1.047","","","","has coordinates","251982","2020-10-21","18:00:00",""
"4517654","7.801","0.004","12.152","0.006","15.317","0.008","90","","102.595","0.014","90","","1417.1","1.3","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 O2 P2 Se4 -","- C28 H26 O2 P2 Se4 -","- C56 H52 O4 P4 Se8 -","2","0.5","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0893","0.0676","","","0.1573","0.1738","","","","","","1.029","","","","has coordinates","252592","2020-10-21","18:00:00",""
"4517655","9.3324","0.0013","9.3983","0.0007","12.8393","0.0014","70.724","0.011","88.5","0.014","64.524","0.008","950.7","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Cl4 O4 P2 Se4 -","- C32 H34 Cl4 O4 P2 Se4 -","- C32 H34 Cl4 O4 P2 Se4 -","1","0.5","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0259","0.0221","","","0.0567","0.0576","","","","","","1.072","","","","has coordinates","252592","2020-10-21","18:00:00",""
"4517656","7.22","0.002","14.28","0.005","13.986","0.004","90","","98.244","0.007","90","","1427.1","0.8","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 O4 P2 Se4 -","- C28 H22 O4 P2 Se4 -","- C56 H44 O8 P4 Se8 -","2","0.5","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.1034","0.0427","","","0.0775","0.0875","","","","","","0.897","","","","has coordinates","252592","2020-10-21","18:00:00",""
"4517657","7.495","0.004","7.59","0.004","12.69","0.006","95.836","0.013","96.199","0.007","107.677","0.014","676.9","0.6","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 N2 O2 Se -","- C16 H12 N2 O2 Se -","- C32 H24 N4 O4 Se2 -","2","1","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0672","0.0475","","","0.1081","0.13","","","","","","0.989","","","","has coordinates","252592","2020-10-21","18:00:00",""
"4517658","9.609","0.0012","23.648","0.003","11.5281","0.0014","90","","101.559","0.003","90","","2566.4","0.6","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 Cl2 N2 P Se2 -","- C25 H25 Cl2 N2 P Se2 -","- C100 H100 Cl8 N8 P4 Se8 -","4","1","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0264","0.0213","","","0.0509","0.0525","","","","","","1.034","","","","has coordinates","252592","2020-10-21","18:00:00",""
"4517659","11.336","0.002","9.2316","0.0016","20.825","0.004","90","","98.573","0.005","90","","2155","0.7","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N2 P Se2 -","- C23 H21 N2 P Se2 -","- C92 H84 N8 P4 Se8 -","4","1","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0768","0.0512","","","0.1287","0.1454","","","","","","1.121","","","","has coordinates","252592","2020-10-21","18:00:00",""
"4517660","12.7802","0.0014","12.2729","0.0014","14.4466","0.0019","90","","105.094","0.003","90","","2187.8","0.5","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N2 P Se2 -","- C23 H21 N2 P Se2 -","- C92 H84 N8 P4 Se8 -","4","1","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0351","0.0248","","","0.0566","0.0602","","","","","","1.013","","","","has coordinates","252592","2020-10-21","18:00:00",""
"4517661","14.79","0.002","8.9919","0.001","18.129","0.003","90","","108.719","0.004","90","","2283.4","0.6","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N2 P Se2 -","- C24 H25 N2 P Se2 -","- C96 H100 N8 P4 Se8 -","4","1","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0328","0.0231","","","0.0527","0.0562","","","","","","1.021","","","","has coordinates","252592","2020-10-21","18:00:00",""
"4517662","22.0548","0.0005","8.5264","0.0002","6.69588","0.00017","90","","90","","90","","1259.15","0.05","274","","274","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- C30 H28 N6 -","- C30 H28 N6 -","- C60 H56 N12 -","2","0.25","","Uekusa, Tomoki; Sato, Ryonosuke; Yoo, Dongho; Kawamoto, Tadashi; Mori, Takehiko","Transistor Characteristics of Charge-Transfer Complexes Observed across a Neutral-Ionic Transition.","ACS applied materials & interfaces","2020","12","21","24174","24183","10.1021/acsami.0c03898","","","1.54187","CuKα","","0.1143","0.0611","","","0.1635","0.2204","","","","","","0.998","","","","has coordinates,has disorder","252587","2020-10-21","18:00:00",""
"4517663","11.43","0.0006","11.4436","0.0006","12.7817","0.0006","111.421","0.002","109.215","0.002","94.014","0.002","1434.85","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H25 N2 O9 Zn -","- C32 H25 N2 O9 Zn -","- C64 H50 N4 O18 Zn2 -","2","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.0576","0.0443","","","0.1153","0.1234","","","","","","1.042","","","","has coordinates","252588","2020-10-21","18:00:00",""
"4517664","11.509","0.006","12.032","0.006","12.314","0.004","113.678","0.014","104.048","0.01","90.19","0.02","1505.2","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N2 O7 Zn -","- C32 H30 N2 O7 Zn -","- C64 H60 N4 O14 Zn2 -","2","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.0835","0.0646","","","0.1849","0.2041","","","","","","0.988","","","","has coordinates,has disorder","252588","2020-10-21","18:00:00",""
"4517665","29.1423","0.0011","5.7957","0.0002","18.3519","0.0006","90","","102.93","0.001","90","","3021.04","0.18","293.15","","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 F3 N O2 Zn0.5 -","- C16 H11 F3 N O2 Zn0.5 -","- C128 H88 F24 N8 O16 Zn4 -","8","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.0766","0.0512","","","0.1325","0.1475","","","","","","1.04","","","","has coordinates","252588","2020-10-21","18:00:00",""
"4517666","8.2776","0.0003","9.6847","0.0004","20.7439","0.0009","97.158","0.002","92.395","0.002","114.431","0.001","1494.22","0.11","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 N3 O6 Zn -","- C32 H29 N3 O6 Zn -","- C64 H58 N6 O12 Zn2 -","2","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.0824","0.0464","","","0.0981","0.1103","","","","","","1.028","","","","has coordinates","252588","2020-10-21","18:00:00",""
"4517667","9.5875","0.0006","5.6958","0.0004","16.0243","0.0011","90","","97.841","0.002","90","","866.88","0.1","293","2","293.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C8 H8 N O2 Zn0.5 -","- C8 H8 N O2 Zn0.5 -","- C32 H32 N4 O8 Zn2 -","4","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.0544","0.0501","","","0.1496","0.1534","","","","","","1.131","","","","has coordinates","252588","2020-10-21","18:00:00",""
"4517668","7.8226","0.0004","12.6076","0.0006","13.0421","0.0007","84.483","0.002","85.003","0.002","76.073","0.001","1239.94","0.11","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 N O9 Zn -","- C27 H23 N O9 Zn -","- C54 H46 N2 O18 Zn2 -","2","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.0325","0.0277","","","0.0684","0.0709","","","","","","1.052","","","","has coordinates,has disorder","252588","2020-10-21","18:00:00",""
"4517669","7.9189","0.0008","12.9658","0.0014","16.808","0.0017","103.514","0.004","99.627","0.004","97.373","0.004","1628.9","0.3","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 N O12 Zn1.5 -","- C36 H24 N O12 Zn1.5 -","- C72 H48 N2 O24 Zn3 -","2","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.0955","0.0558","","","0.1651","0.1925","","","","","","1.076","","","","has coordinates","252588","2020-10-21","18:00:00",""
"4517670","7.6701","0.0005","11.3348","0.0008","15.8956","0.0012","76.693","0.003","84.984","0.002","73.199","0.002","1287.11","0.16","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N2 O8 Zn -","- C28 H22 N2 O8 Zn -","- C56 H44 N4 O16 Zn2 -","2","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.0557","0.0344","","","0.0667","0.0723","","","","","","1.047","","","","has coordinates","252588","2020-10-21","18:00:00",""
"4517671","7.95","0.04","15.86","0.07","21.62","0.09","71.45","0.08","80.84","0.07","79.61","0.08","2527","2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H37 N2 O16 Zn2 -","- C52 H37 N2 O16 Zn2 -","- C104 H74 N4 O32 Zn4 -","2","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.2029","0.0658","","","0.0954","0.124","","","","","","0.986","","","","has coordinates","252588","2020-10-21","18:00:00",""
"4517672","13.7862","0.0002","21.4855","0.0003","21.9569","0.0003","90","","94.382","0.001","90","","6484.7","0.16","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H105 Fe2 N5 -","- C67 H105 Fe2 N5 -","- C268 H420 Fe8 N20 -","4","1","","Gasperini, Danila; King, Andrew K.; Coles, Nathan T.; Mahon, Mary F.; Webster, Ruth L.","Seeking Heteroatom-Rich Compounds: Synthetic and Mechanistic Studies into Iron Catalyzed Dehydrocoupling of Silanes","ACS Catalysis","2020","","","6102","6112","10.1021/acscatal.0c01440","","x-ray","1.54184","CuKα","","0.0571","0.0416","","","0.0971","0.1039","","","","","","1.016","","","","has coordinates,has disorder","257017","2020-10-21","18:00:00",""
"4517673","14.2654","0.0007","3.6291","0.0002","17.9154","0.0009","90","","108.205","0.002","90","","881.06","0.08","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H7 N11 O2 -","- C3 H7 N11 O2 -","- C12 H28 N44 O8 -","4","1","","Hu, Lu; He, Chunlin; Zhao, Gang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean’ne M.","Selecting Suitable Substituents for Energetic Materials Based on a Fused Triazolo-[1,2,4,5]tetrazine Ring","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.0c00487","","","0.71073","MoKα","","0.0588","0.041","","","0.0855","0.0937","","","","","","1.019","","","","has coordinates","252131","2020-10-21","18:00:00",""
"4517674","7.3142","0.0014","6.1257","0.0012","9.7254","0.0018","90","","108.356","0.004","90","","413.57","0.14","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C3 H5 N9 O4 -","- C3 H5 N9 O4 -","- C6 H10 N18 O8 -","2","0.5","","Hu, Lu; He, Chunlin; Zhao, Gang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean’ne M.","Selecting Suitable Substituents for Energetic Materials Based on a Fused Triazolo-[1,2,4,5]tetrazine Ring","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.0c00487","","","0.71073","MoKα","","0.0987","0.0488","","","0.126","0.1483","","","","","","0.994","","","","has coordinates","252132","2020-10-21","18:00:00",""
"4517675","3.9941","0.0003","6.9994","0.0005","7.9791","0.0006","76.766","0.002","76.857","0.003","79.825","0.003","209.62","0.03","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C3 H6 N10 O3 -","- C3 H6 N10 O3 -","- C3 H6 N10 O3 -","1","1","","Hu, Lu; He, Chunlin; Zhao, Gang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean’ne M.","Selecting Suitable Substituents for Energetic Materials Based on a Fused Triazolo-[1,2,4,5]tetrazine Ring","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.0c00487","","","0.71073","MoKα","","0.0616","0.0417","","","0.0856","0.0956","","","","","","1.02","","","","has coordinates","252133","2020-10-21","18:00:00",""
"4517676","3.9372","0.0001","6.0659","0.0002","33.8775","0.0008","90","","92.5425","0.001","90","","808.29","0.04","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H6 N10 O -","- C3 H6 N10 O -","- C12 H24 N40 O4 -","4","1","","Hu, Lu; He, Chunlin; Zhao, Gang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean’ne M.","Selecting Suitable Substituents for Energetic Materials Based on a Fused Triazolo-[1,2,4,5]tetrazine Ring","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.0c00487","","","1.54178","CuKα","","0.0477","0.0379","","","0.0869","0.0919","","","","","","1.131","","","","has coordinates","252134","2020-10-21","18:00:00",""
"4517677","11.20707","0.0001","5.82419","0.00004","12.84587","0.00011","90","","104.996","0.0009","90","","809.923","0.012","100.3","0.6","100.3","0.6","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H20 O -","- C22 H20 O -","- C44 H40 O2 -","2","1","","Lee, Maizie; Ren, Zhi; Musaev, Djamaladdin G.; Davies, Huw M. L.","Rhodium-Stabilized Diarylcarbenes Behaving as Donor/Acceptor Carbenes","ACS Catalysis","2020","","","6240","6247","10.1021/acscatal.0c01131","","x-ray","1.54184","CuKα","","0.022","0.0214","","","0.0551","0.0554","","","","","","1.0592","","","","has coordinates","257041","2020-10-21","18:00:00",""
"4517678","5.76988","0.00007","11.91662","0.00014","21.9056","0.0002","90","","90","","90","","1506.17","0.03","100","0.1","100","0.1","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 -","- C21 H18 -","- C84 H72 -","4","1","","Lee, Maizie; Ren, Zhi; Musaev, Djamaladdin G.; Davies, Huw M. L.","Rhodium-Stabilized Diarylcarbenes Behaving as Donor/Acceptor Carbenes","ACS Catalysis","2020","","","6240","6247","10.1021/acscatal.0c01131","","x-ray","1.54184","CuKα","","0.0272","0.0267","","","0.0665","0.0667","","","","","","1.0842","","","","has coordinates","257041","2020-10-21","18:00:00",""
"4517679","8.914","0.0002","9.962","0.0002","25.5372","0.0005","99.6539","0.0008","90.2718","0.0008","101.92","0.0008","2185.59","0.08","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H62 N4 S3 -","- C46 H62 N4 S3 -","- C92 H124 N8 S6 -","2","1","","Vegiraju, Sureshraju; Torimtubun, Alfonsina Abat Amelenan; Lin, Po-Shen; Tsai, Hsin-Chia; Lien, Wei-Chieh; Chen, Cheng-Shiun; He, Guan-Yu; Lin, Chih-Yu; Zheng, Ding; Huang, Yi-Fan; Wu, Yi-Ching; Yau, Shuehlin; Lee, Gene-Hsiang; Tung, Shih-Huang; Wang, Chien-Lung; Liu, Cheng-Liang; Chen, Ming-Chou; Facchetti, Antonio","Solution Processable Quinoidal Dithioalkylterthiophene Based Small Molecules-Pseudo Pentathienoacenes via Intramolecular S⋯S Lock for High Performance n-type Organic Field Effect Transistors.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c03477","","","1.54178","CuKα","","0.0371","0.0326","","","0.0815","0.0859","","","","","","1.015","","","","has coordinates","252173","2020-10-21","18:00:00",""
"4517680","8.6465","0.0002","9.1137","0.0002","29.1267","0.0006","95.6826","0.0007","98.3893","0.0007","95.2272","0.0007","2246.49","0.09","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H62 N4 S5 -","- C46 H62 N4 S5 -","- C92 H124 N8 S10 -","2","1","","Vegiraju, Sureshraju; Torimtubun, Alfonsina Abat Amelenan; Lin, Po-Shen; Tsai, Hsin-Chia; Lien, Wei-Chieh; Chen, Cheng-Shiun; He, Guan-Yu; Lin, Chih-Yu; Zheng, Ding; Huang, Yi-Fan; Wu, Yi-Ching; Yau, Shuehlin; Lee, Gene-Hsiang; Tung, Shih-Huang; Wang, Chien-Lung; Liu, Cheng-Liang; Chen, Ming-Chou; Facchetti, Antonio","Solution Processable Quinoidal Dithioalkylterthiophene Based Small Molecules-Pseudo Pentathienoacenes via Intramolecular S⋯S Lock for High Performance n-type Organic Field Effect Transistors.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c03477","","","1.54178","CuKα","","0.0335","0.0303","","","0.0757","0.079","","","","","","1.069","","","","has coordinates","252174","2020-10-21","18:00:00",""
"4517681","28.3898","0.0014","28.3898","0.0014","40.953","0.002","90","","90","","90","","33007","3","200","2","200","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C248 H112 Cr24 N24 O104 -","- C248 H112 Cr24 N24 O104 -","- C496 H224 Cr48 N48 O208 -","2","0.125","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.2593","0.1929","","","0.4657","0.5391","","","","","","2.11","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517682","35.33","0.0013","36.5192","0.0013","45.1327","0.0016","90","","90.828","0.002","90","","58225","4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C372 H246 Cu24 N24 O142 -","- C372 H246 Cu24 N24 O142 -","- C1488 H984 Cu96 N96 O568 -","4","0.5","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.2294","0.1764","","","0.4539","0.5356","","","","","","2.037","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517683","40.7308","0.0019","40.7308","0.0019","38.796","0.002","90","","90","","120","","55740","5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C360 H210 Mo24 N24 O108 -","- C360 H210 Mo24 N24 O108 -","- C1080 H630 Mo72 N72 O324 -","3","0.166667","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.1312","0.0981","","","0.2619","0.3181","","","","","","1.034","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517684","26.9144","0.0009","28.3903","0.0009","33.0223","0.0011","112.573","0.002","110.846","0.002","91.041","0.002","21421.3","1.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C382 H216 Cu24 N24 O144 -","- C382 H216 Cu24 N24 O144 -","- C382 H216 Cu24 N24 O144 -","1","0.5","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.1785","0.1385","","","0.3842","0.4418","","","","","","1.814","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517685","36.2688","0.0006","36.2688","0.0006","53.74","0.0009","90","","90","","120","","61220.2","1.8","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C396 H420 Cu24 N54 O162 -","- C396 H420 Cu24 N54 O162 -","- C1188 H1260 Cu72 N162 O486 -","3","0.166667","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.0916","0.0813","","","0.2401","0.2638","","","","","","1.033","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517686","28.327","0.002","28.327","0.002","40.322","0.003","90","","90","","90","","32355","4","150","2","150","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C360 H216 Cu24 N24 O120 -","- C360 H216 Cu24 N24 O120 -","- C720 H432 Cu48 N48 O240 -","2","0.125","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.2297","0.2041","","","0.5532","0.5806","","","","","","2.947","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517687","35.7322","0.0016","35.7322","0.0016","53.462","0.003","90","","90","","120","","59115","5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C336 H324 Cu24 N36 O138 -","- C336 H324 Cu24 N36 O138 -","- C1008 H972 Cu72 N108 O414 -","3","0.166667","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.1312","0.0995","","","0.2741","0.3082","","","","","","1.142","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517688","28.755","0.006","36.718","0.007","37.195","0.007","90","","102.779","0.008","90","","38299","13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C338 H192 Cu24 N24 O158 -","- C338 H192 Cu24 N24 O158 -","- C676 H384 Cu48 N48 O316 -","2","0.5","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","0.71073","MoKα","","0.2359","0.1424","","","0.3741","0.4389","","","","","","1.394","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517689","14.47472","0.00015","19.26","0.0002","23.9417","0.0003","107.115","0.001","90.4073","0.0008","98.3956","0.0009","6301.75","0.13","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C66 H50 B F24 Ir P2 -","- C66 H50 B F24 Ir P2 -","- C264 H200 B4 F96 Ir4 P8 -","4","2","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0331","0.0296","","","0.0692","0.0713","","","","","","1.018","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517690","12.17636","0.00016","38.6268","0.0005","12.77708","0.00018","90","","100.256","0.0013","90","","5913.47","0.14","100.4","0.8","100.4","0.8","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H51 B F24 Ir O0.5 P2 -","- C58 H51 B F24 Ir O0.5 P2 -","- C232 H204 B4 F96 Ir4 O2 P8 -","4","2","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","0.71073","MoKα","","0.0391","0.0358","","","0.0689","0.07","","","","","","1.042","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517691","12.9847","0.0002","16.3076","0.0003","19.9591","0.0003","95.5387","0.0014","104.592","0.0014","92.1533","0.0014","4062.5","0.12","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C88 H78 B F24 Ir P2 -","- C88 H78 B F24 Ir P2 -","- C176 H156 B2 F48 Ir2 P4 -","2","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","0.71073","MoKα","","0.0345","0.0293","","","0.0606","0.0628","","","","","","1.02","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517692","13.0737","0.0002","23.7759","0.0003","28.1916","0.0004","90","","99.78","0.001","90","","8635.7","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H60 B F42 Ir P2 -","- C88 H60 B F42 Ir P2 -","- C352 H240 B4 F168 Ir4 P8 -","4","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0653","0.0566","","","0.1202","0.1239","","","","","","1.136","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517693","18.33896","0.00013","13.16861","0.00012","38.4041","0.0003","90","","91.6412","0.0006","90","","9270.73","0.13","100","0.3","100","0.3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C89 H44 B Cl2 F60 Ir P2 -","- C89 H44 B Cl2 F60 Ir P2 -","- C356 H176 B4 Cl8 F240 Ir4 P8 -","4","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","0.71073","MoKα","","0.0473","0.0409","","","0.0827","0.0852","","","","","","1.103","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517694","42.4084","0.0004","13.6051","0.0001","7.6568","0.0001","90","","90","","90","","4417.75","0.08","100","0.1","100","0.1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C25 H44 O2 -","- C25 H44 O2 -","- C200 H352 O16 -","8","2","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0361","0.0338","","","0.0857","0.0871","","","","","","1.048","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517695","12.55791","0.00014","11.2147","0.0001","14.01011","0.00016","90","","107.532","0.0012","90","","1881.44","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H64 O3 Si -","- C42 H64 O3 Si -","- C84 H128 O6 Si2 -","2","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0353","0.0322","","","0.0754","0.077","","","","","","1.057","","","","has coordinates","257047","2020-10-21","18:00:00",""
"4517696","12.21766","0.00011","7.39922","0.00009","12.74257","0.00013","90","","95.6028","0.0009","90","","1146.44","0.02","99.98","0.1","99.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H44 O3 -","- C25 H44 O3 -","- C50 H88 O6 -","2","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0345","0.0321","","","0.0807","0.0828","","","","","","1.045","","","","has coordinates","257047","2020-10-21","18:00:00",""
"4517697","7.6128","0.0002","9.7121","0.0003","87.346","0.002","90","","90.272","0.003","90","","6458","0.3","100.01","0.1","100.01","0.1","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C24 H42 O2 -","- C24 H42 O2 -","- C288 H504 O24 -","12","3","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0589","0.0476","","","0.1143","0.1275","","","","","","1.057","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517698","7.7735","0.0001","12.2996","0.0001","16.9155","0.0001","90","","90","","90","","1617.31","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0321","0.0307","","","0.0792","0.0804","","","","","","1.045","","","","has coordinates","257047","2020-10-21","18:00:00",""
"4517699","11.88006","0.00007","21.74657","0.00012","14.12314","0.00009","90","","97.1277","0.0006","90","","3620.52","0.04","99.97","0.1","99.97","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H49 Ir P2 Si -","- C42 H49 Ir P2 Si -","- C168 H196 Ir4 P8 Si4 -","4","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0195","0.0188","","","0.0462","0.0465","","","","","","1.044","","","","has coordinates","257047","2020-10-21","18:00:00",""
"4517700","12.3828","0.0003","15.2107","0.0005","16.6665","0.0005","64.281","0.003","83.752","0.002","70.114","0.003","2656.74","0.16","100.1","0.6","100.1","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C48 H23 F36 Ir P2 -","- C48 H23 F36 Ir P2 -","- C96 H46 F72 Ir2 P4 -","2","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0605","0.0433","","","0.1008","0.1119","","","","","","1.027","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517701","13.9408","0.0004","14.1616","0.0004","16.2996","0.0005","102.527","0.003","94.566","0.003","101.595","0.003","3051.57","0.17","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C54 H37 F36 Ir P2 Si -","- C54 H37 F36 Ir P2 Si -","- C108 H74 F72 Ir2 P4 Si2 -","2","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","0.71073","MoKα","","0.045","0.0373","","","0.0868","0.0912","","","","","","1.036","","","","has coordinates,has disorder","257047","2020-10-21","18:00:00",""
"4517702","9.2013","0.0003","11.6473","0.0003","12.4438","0.0003","62.798","0.003","76.382","0.002","76.134","0.002","1139.24","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 F9 P -","- C24 H18 F9 P -","- C48 H36 F18 P2 -","2","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0708","0.0653","","","0.1666","0.172","","","","","","1.07","","","","has coordinates","257047","2020-10-21","18:00:00",""
"4517703","10.822","0.004","8.919","0.003","19.088","0.007","90","","105.07","0.05","90","","1779","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cl Cu N3 O4 -","- C19 H18 Cl Cu N3 O4 -","- C76 H72 Cl4 Cu4 N12 O16 -","4","1","","Emami, Marzieh; Bikas, Rahman; Noshiranzadeh, Nader; Kozakiewicz, Anna; Lis, Tadeusz","Cu(II)-Hydrazide Coordination Compound Supported on Silica Gel as an Efficient and Recyclable Heterogeneous Catalyst for Green Click Synthesis of β-Hydroxy-1,2,3-triazoles in Water","ACS Omega","2020","","","","","10.1021/acsomega.0c01491","","","0.71073","MoKα","","0.0907","0.0596","","","0.1251","0.1436","","","","","","1.078","","","","has coordinates","252354","2020-10-21","18:00:00",""
"4517704","9.873","0.002","12.958","0.003","8.353","0.002","90","","90","","90","","1068.6","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C44 H52 N12 O4 -","4","1","","Emami, Marzieh; Bikas, Rahman; Noshiranzadeh, Nader; Kozakiewicz, Anna; Lis, Tadeusz","Cu(II)-Hydrazide Coordination Compound Supported on Silica Gel as an Efficient and Recyclable Heterogeneous Catalyst for Green Click Synthesis of β-Hydroxy-1,2,3-triazoles in Water","ACS Omega","2020","","","","","10.1021/acsomega.0c01491","","","0.71073","MoKα","","0.1154","0.0483","","","0.0654","0.0869","","","","","","0.956","","","","has coordinates","252356","2020-10-21","18:00:00",""
"4517705","5.7635","0.0013","24.996","0.006","8.917","0.002","90","","97.92","0.02","90","","1272.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N3 O2 -","- C13 H17 N3 O2 -","- C52 H68 N12 O8 -","4","1","","Emami, Marzieh; Bikas, Rahman; Noshiranzadeh, Nader; Kozakiewicz, Anna; Lis, Tadeusz","Cu(II)-Hydrazide Coordination Compound Supported on Silica Gel as an Efficient and Recyclable Heterogeneous Catalyst for Green Click Synthesis of β-Hydroxy-1,2,3-triazoles in Water","ACS Omega","2020","","","","","10.1021/acsomega.0c01491","","","0.71073","MoKα","","0.2462","0.0938","","","0.1592","0.2273","","","","","","0.996","","","","has coordinates","252357","2020-10-21","18:00:00",""
"4517706","14.5173","0.0005","22.1551","0.0009","11.8658","0.0004","90","","106.121","0.002","90","","3666.4","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H61 In N2 O Si2 -","- C31 H61 In N2 O Si2 -","- C124 H244 In4 N8 O4 Si8 -","4","1","","Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa","Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition","ACS Catalysis","2020","","","6488","6496","10.1021/acscatal.0c01365","","","0.71073","MoKα","","0.0589","0.0446","","","0.0741","0.0771","","","","","","1.24","","","","has coordinates,has disorder","257021","2020-10-21","18:00:00",""
"4517707","16.279","0.003","23.517","0.004","37.715","0.006","90","","97.103","0.002","90","","14328","4","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H59 In N2 O Si2 -","- C31 H59 In N2 O Si2 -","- C496 H944 In16 N32 O16 Si32 -","16","4","","Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa","Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition","ACS Catalysis","2020","","","6488","6496","10.1021/acscatal.0c01365","","x-ray","0.71073","MoKα","","0.0952","0.0524","","","0.0859","0.0981","","","","","","1.022","","","","has coordinates","257021","2020-10-21","18:00:00",""
"4517708","13.921","0.0005","16.027","0.0006","26.415","0.0009","91.032","0.001","101.549","0.001","91.773","0.001","5769.7","0.4","90.15","","90.15","","","","","","","","","8","P -1","-P 1","2","","","","- C111 H120 B2 F40 In2 N4 O3 Si2 -","- C111 H120 B2 F40 In2 N4 O3 Si2 -","- C222 H240 B4 F80 In4 N8 O6 Si4 -","2","1","","Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa","Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition","ACS Catalysis","2020","","","6488","6496","10.1021/acscatal.0c01365","","","0.71073","MoKα","","0.0543","0.0359","","","0.0848","0.0936","","","","","","1.031","","","","has coordinates,has disorder","257021","2020-10-21","18:00:00",""
"4517709","14.75","0.007","14.75","0.007","35.67","0.02","90","","90","","90","","7760","7","90","2","90.15","","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C31 H60 F6 In N2 O2 P Si -","- C31 H60 F6 In N2 O2 P Si -","- C248 H480 F48 In8 N16 O16 P8 Si8 -","8","1","","Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa","Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition","ACS Catalysis","2020","","","6488","6496","10.1021/acscatal.0c01365","","x-ray","0.71069","MoKα","","0.0304","0.0273","","","0.0581","0.0589","","","","","","1.147","","","","has coordinates,has disorder","257021","2020-10-21","18:00:00",""
"4517710","14.6691","0.0008","25.0259","0.0013","17.6496","0.0009","90","","106.494","0.002","90","","6212.7","0.6","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H64 B F20 In N2 O2 Si -","- C62 H64 B F20 In N2 O2 Si -","- C248 H256 B4 F80 In4 N8 O8 Si4 -","4","1","","Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa","Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition","ACS Catalysis","2020","","","6488","6496","10.1021/acscatal.0c01365","","","0.71073","MoKα","","0.0482","0.0381","","","0.0851","0.0913","","","","","","1.058","","","","has coordinates,has disorder","257021","2020-10-21","18:00:00",""
"4517711","12.2672","0.0002","15.04","0.0003","28.7115","0.0006","90","","90","","90","","5297.23","0.18","170","2","170","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H42 Cl Ir N P2 S -","- C23 H42 Cl Ir N P2 S -","- C184 H336 Cl8 Ir8 N8 P16 S8 -","8","1","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.0409","0.0351","","","0.091","0.0965","","","","","","1.066","","","","has coordinates,has disorder","257059","2020-10-21","18:00:00",""
"4517712","36.27","0.002","7.8548","0.0004","36.2929","0.0017","90","","113.602","0.003","90","","9474.7","0.9","170","2","170.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H36 Ir N O2 P2 -","- C21 H36 Ir N O2 P2 -","- C336 H576 Ir16 N16 O32 P32 -","16","2","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.1108","0.0708","","","0.1439","0.167","","","","","","1.032","","","","has coordinates","257059","2020-10-21","18:00:00",""
"4517713","11.336","0.003","14.13","0.003","14.921","0.004","78.309","0.005","82.053","0.005","89.309","0.005","2317.6","1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H35 Ir O P2 -","- C21 H35 Ir O P2 -","- C84 H140 Ir4 O4 P8 -","4","2","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","0.71073","MoKα","","0.17","0.0602","","","0.0987","0.1337","","","","","","0.923","","","","has coordinates","257059","2020-10-21","18:00:00",""
"4517714","13.2206","0.0003","11.3239","0.0002","15.3513","0.0003","90","","97.378","0.001","90","","2279.2","0.08","170","2","170.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 Ir N O2 P2 -","- C20 H34 Ir N O2 P2 -","- C80 H136 Ir4 N4 O8 P8 -","4","1","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.0198","0.0196","","","0.0458","0.0459","","","","","","1.112","","","","has coordinates","257059","2020-10-21","18:00:00",""
"4517715","31.9259","0.0006","7.9828","0.0002","20.1715","0.0004","90","","100.614","0.001","90","","5052.91","0.19","170","2","170","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H43 Cl Ir N O P2 -","- C23 H43 Cl Ir N O P2 -","- C184 H344 Cl8 Ir8 N8 O8 P16 -","8","1","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.0258","0.0219","","","0.0446","0.046","","","","","","1.107","","","","has coordinates","257059","2020-10-21","18:00:00",""
"4517716","8.6225","0.0002","18.5843","0.0004","17.0349","0.0004","90","","90.761","0.001","90","","2729.48","0.11","170","2","170.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H45 Ir O2 P2 -","- C26 H45 Ir O2 P2 -","- C104 H180 Ir4 O8 P8 -","4","1","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.0722","0.0625","","","0.1633","0.1712","","","","","","1.151","","","","has coordinates,has disorder","257059","2020-10-21","18:00:00",""
"4517717","8.1801","0.0006","17.6065","0.0014","17.9383","0.0014","62.959","0.003","83.152","0.004","82.77","0.004","2277.2","0.3","170","2","169.99","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H34 Ir N O P2 S -","- C20 H34 Ir N O P2 S -","- C80 H136 Ir4 N4 O4 P8 S4 -","4","2","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.0462","0.0432","","","0.1155","0.1182","","","","","","1.044","","","","has coordinates","257059","2020-10-21","18:00:00",""
"4517718","19.059","0.013","8.033","0.005","16.181","0.011","90","","92.063","0.011","90","","2476","3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H37 Ir O2 P2 S0.99 -","- C20 H37 Ir O2 P2 S0.99 -","- C80 H148 Ir4 O8 P8 S3.96 -","4","1","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","0.71073","MoKα","","0.1561","0.1095","","","0.2384","0.2608","","","","","","1.162","","","","has coordinates,has disorder","257059","2020-10-21","18:00:00",""
"4517719","13.6088","0.0002","11.1953","0.0002","15.5695","0.0003","90","","100.675","0.001","90","","2331.03","0.07","170","2","170.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 Ir N O2 P2 -","- C22 H36 Ir N O2 P2 -","- C88 H144 Ir4 N4 O8 P8 -","4","1","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.0196","0.0195","","","0.047","0.0471","","","","","","1.154","","","","has coordinates","257059","2020-10-21","18:00:00",""
"4517720","29.6785","0.0005","8.0786","0.0001","18.7571","0.0003","90","","101.242","0.001","90","","4410.93","0.12","170","2","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H31 Ir O2 P2 S -","- C19 H31 Ir O2 P2 S -","- C152 H248 Ir8 O16 P16 S8 -","8","1","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.018","0.0168","","","0.0365","0.037","","","","","","1.087","","","","has coordinates,has disorder","257059","2020-10-21","18:00:00",""
"4517721","14.2131","0.0003","14.3576","0.0003","17.1807","0.0004","108.37","0.001","97.894","0.001","91.083","0.001","3288.59","0.13","170","2","169.99","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H31 Ir O3 P2 -","- C19 H31 Ir O3 P2 -","- C114 H186 Ir6 O18 P12 -","6","3","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.046","0.0422","","","0.1093","0.1123","","","","","","1.116","","","","has coordinates","257059","2020-10-21","18:00:00",""
"4517722","16.0596","0.0019","4.9375","0.0007","24.003","0.003","90","","104.836","0.012","90","","1839.8","0.4","150.01","0.1","150.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 O6 -","- C22 H24 O6 -","- C88 H96 O24 -","4","1","","Farias, Kaio; da Costa, Roner F.; Meira, Assuero S.; Diniz-Filho, Jairo; Bezerra, Eveline M.; Freire, Valder N.; Guest, Prue; Nikahd, Maryam; Ma, Xinghua; Gardiner, Michael G.; Banwell, Martin G.; de Oliveira, Maria da C. F.; de Moraes, Manoel O.; do Ó Pessoa, Claudia","Antitumor Potential of the Isoflavonoids (+)- and (−)-2,3,9-Trimethoxypterocarpan: Mechanism-of-Action Studies","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00097","","x-ray","1.54184","CuKα","","0.1554","0.0762","","","0.1403","0.1877","","","","","","1.042","","","","has coordinates","252390","2020-10-21","18:00:00",""
"4517723","4.7672","0.0001","18.8707","0.0004","16.6201","0.0004","90","","93.099","0.002","90","","1492.96","0.06","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","2","","Farias, Kaio; da Costa, Roner F.; Meira, Assuero S.; Diniz-Filho, Jairo; Bezerra, Eveline M.; Freire, Valder N.; Guest, Prue; Nikahd, Maryam; Ma, Xinghua; Gardiner, Michael G.; Banwell, Martin G.; de Oliveira, Maria da C. F.; de Moraes, Manoel O.; do Ó Pessoa, Claudia","Antitumor Potential of the Isoflavonoids (+)- and (−)-2,3,9-Trimethoxypterocarpan: Mechanism-of-Action Studies","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00097","","x-ray","1.54184","CuKα","","0.0407","0.039","","","0.1038","0.1057","","","","","","1.038","","","","has coordinates","252391","2020-10-21","18:00:00",""
"4517724","12.6824","0.0013","12.3741","0.0012","12.1031","0.0013","90","","99.791","0.006","90","","1871.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 N2 O4 S2 -","- C48 H36 N2 O4 S2 -","- C96 H72 N4 O8 S4 -","2","0.5","","Zheng, Aibin; Ren, Ming; Zhang, Yuyan; Cai, Yaohang; Zhang, Jing; Yuan, Yi; Lei, Ming; Wang, Peng","A Thioxanthenothioxanthene-based Hole Transporter with 2D Molecular Stacking for Efficient and Thermostable Perovskite Solar Cells","ACS Materials Letters","2020","","","691","698","10.1021/acsmaterialslett.0c00134","","","1.54178","CuKα","","0.1051","0.0764","","","0.2182","0.2729","","","","","","1.081","","","","has coordinates","257092","2020-10-21","18:00:00",""
"4517725","17.972","0.0018","4.5201","0.0005","18.2512","0.0015","90","","112.487","0.011","90","","1369.9","0.3","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 S2 -","- C20 H10 S2 -","- C80 H40 S8 -","4","1","","Zheng, Aibin; Ren, Ming; Zhang, Yuyan; Cai, Yaohang; Zhang, Jing; Yuan, Yi; Lei, Ming; Wang, Peng","A Thioxanthenothioxanthene-based Hole Transporter with 2D Molecular Stacking for Efficient and Thermostable Perovskite Solar Cells","ACS Materials Letters","2020","","","691","698","10.1021/acsmaterialslett.0c00134","","","0.71073","MoKα","","0.1154","0.0712","","","0.1779","0.2065","","","","","","1.055","","","","has coordinates","257092","2020-10-21","18:00:00",""
"4517726","26.7798","0.0011","26.7798","","26.7798","","90","","90","","90","","19205.3","0.8","100","2","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C14.64 H1.81 O5.33 Zr -","- C14.64 H1.81333 O5.33333 Zr -","- C351.36 H43.52 O128 Zr24 -","24","0.125","","Li, Jialuo; Yuan, Shuai; Qin, Jun-Sheng; Huang, Lan; Bose, Riya; Pang, Jiandong; Zhang, Peng; Xiao, Zhifeng; Tan, Kui; Malko, Anton V.; Cagin, Tahir; Zhou, Hong-Cai","Fluorescence Enhancement in Solid State by Isolating Perylene Fluorophores in Metal-Organic Frameworks.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c05512","","x-ray","0.71073","MoKα","","0.0738","0.0583","","","0.163","0.1768","","","","","","1.057","","","","has coordinates","252434","2020-10-21","18:00:00",""
"4517727","24.7997","0.0005","24.7997","0.0005","31.9951","0.0014","90","","90","","120","","17041.5","0.9","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C48 H118 Cd7 O138 Sb24 -","- C48 H39 Cd7 O102 Sb24 -","- C192 H156 Cd28 O408 Sb96 -","4","0.666667","","Ma, Wen; Hu, Bing; Li, Ji-Long; Zhang, Zhi-Zhuan; Zeng, Xi; Jin, Jiance; Li, Zhong; Zheng, Shou-Tian; Feng, Mei-Ling; Huang, Xiao-Ying","The Uptake of Hazardous Metal Ions into a High-nuclearity Cluster Based Compound with Structural Transformation and Proton Conduction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c06082","","","0.71073","MoKα","","0.0841","0.053","","","0.1084","0.1276","","","","","","1.006","","","","has coordinates","252435","2020-10-21","18:00:00",""
"4517728","24.7944","0.0005","24.7944","0.0005","32.4228","0.0014","90","","90","","120","","17261.9","0.9","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C48 H120 Ba2 Cd7 O141 Sb24 -","- C48 H39 Ba1.99995 Cd7 O102 Sb24 -","- C192 H156 Ba7.9998 Cd28 O408 Sb96 -","4","0.666667","","Ma, Wen; Hu, Bing; Li, Ji-Long; Zhang, Zhi-Zhuan; Zeng, Xi; Jin, Jiance; Li, Zhong; Zheng, Shou-Tian; Feng, Mei-Ling; Huang, Xiao-Ying","The Uptake of Hazardous Metal Ions into a High-nuclearity Cluster Based Compound with Structural Transformation and Proton Conduction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c06082","","","0.71073","MoKα","","0.0854","0.0478","","","0.1113","0.1356","","","","","","1.076","","","","has coordinates","252436","2020-10-21","18:00:00",""
"4517729","24.9433","0.0011","24.9433","0.0011","32.281","0.005","90","","90","","120","","17393","3","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C48 H138 Cd7 O157 Sb24 U3 -","- C48 H36 Cd7 O102 Sb24 U1.5 -","- C192 H144 Cd28 O408 Sb96 U6 -","4","0.666667","","Ma, Wen; Hu, Bing; Li, Ji-Long; Zhang, Zhi-Zhuan; Zeng, Xi; Jin, Jiance; Li, Zhong; Zheng, Shou-Tian; Feng, Mei-Ling; Huang, Xiao-Ying","The Uptake of Hazardous Metal Ions into a High-nuclearity Cluster Based Compound with Structural Transformation and Proton Conduction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c06082","","","1.3405","GaKα","","0.0842","0.0671","","","0.152","0.1609","","","","","","1.125","","","","has coordinates","252437","2020-10-21","18:00:00",""
"4517730","24.7828","0.0005","24.7828","0.0005","32.4311","0.0014","90","","90","","120","","17250.2","0.9","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C48 H119 Cd7 O140 Sb24 Sr1.5 -","- C48 H39 Cd7 O102 Sb24 Sr1.5 -","- C192 H156 Cd28 O408 Sb96 Sr6 -","4","0.666667","","Ma, Wen; Hu, Bing; Li, Ji-Long; Zhang, Zhi-Zhuan; Zeng, Xi; Jin, Jiance; Li, Zhong; Zheng, Shou-Tian; Feng, Mei-Ling; Huang, Xiao-Ying","The Uptake of Hazardous Metal Ions into a High-nuclearity Cluster Based Compound with Structural Transformation and Proton Conduction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c06082","","","0.71073","MoKα","","0.0796","0.0454","","","0.1042","0.1258","","","","","","1.01","","","","has coordinates","252438","2020-10-21","18:00:00",""
"4517731","11.8096","0.0004","6.187","0.0002","19.7061","0.0007","90","","105.867","0.002","90","","1384.99","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H37 N O3 -","- C32 H37 N O3 -","- C64 H74 N2 O6 -","2","1","","Wang, Yaxin; Wang, Nengyong; Zhao, Jianyou; Sun, Minzhi; You, Huichao; Fang, Fang; Liu, Zhong-Quan","Visible-Light-Promoted Site-Specific and Diverse Functionalization of a C(sp3)‒C(sp3) Bond Adjacent to an Arene","ACS Catalysis","2020","","","6603","6612","10.1021/acscatal.0c01495","","","1.54178","CuKα","","0.0414","0.0353","","","0.0916","0.0979","","","","","","1.03","","","","has coordinates","257013","2020-10-21","18:00:00",""
"4517732","7.9594","0.0008","9.7061","0.001","11.5124","0.0012","72.844","0.001","89.113","0.002","80.497","0.001","837.63","0.15","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Au Cl O -","- C21 H14 Au Cl O -","- C42 H28 Au2 Cl2 O2 -","2","1","","Zhang, Caiyun; Wang, Gendi; Zhan, Licheng; Yang, Xueyan; Wang, Jiwei; Wei, Yin; Xu, Sheng; Shi, Min; Zhang, Jun","Gold(I) or Gold(III) as Real Intermediate Species in Gold-Catalyzed Cycloaddition Reactions of Enynal/Enynone?","ACS Catalysis","2020","","","6682","6690","10.1021/acscatal.0c00220","","","0.71073","MoKα","","0.0251","0.0215","","","0.0667","0.0693","","","","","","0.896","","","","has coordinates","257055","2020-10-21","18:00:00",""
"4517733","11.6275","0.0014","12.6651","0.0016","15.1706","0.0019","113.103","0.002","103.226","0.003","99.082","0.003","1922.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 Cl2 O -","- C24 H18 Cl2 O -","- C96 H72 Cl8 O4 -","4","2","","Zhang, Caiyun; Wang, Gendi; Zhan, Licheng; Yang, Xueyan; Wang, Jiwei; Wei, Yin; Xu, Sheng; Shi, Min; Zhang, Jun","Gold(I) or Gold(III) as Real Intermediate Species in Gold-Catalyzed Cycloaddition Reactions of Enynal/Enynone?","ACS Catalysis","2020","","","6682","6690","10.1021/acscatal.0c00220","","","0.71073","MoKα","","0.0621","0.0439","","","0.1099","0.1212","","","","","","1.033","","","","has coordinates","257055","2020-10-21","18:00:00",""
"4517734","20.839","0.004","14.241","0.002","16.555","0.003","90","","98.828","0.003","90","","4854.8","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H17 Au Cl6 O -","- C22.5 H17 Au Cl6 O -","- C180 H136 Au8 Cl48 O8 -","8","1","","Zhang, Caiyun; Wang, Gendi; Zhan, Licheng; Yang, Xueyan; Wang, Jiwei; Wei, Yin; Xu, Sheng; Shi, Min; Zhang, Jun","Gold(I) or Gold(III) as Real Intermediate Species in Gold-Catalyzed Cycloaddition Reactions of Enynal/Enynone?","ACS Catalysis","2020","","","6682","6690","10.1021/acscatal.0c00220","","","0.71073","MoKα","","0.0662","0.0461","","","0.143","0.1657","","","","","","0.994","","","","has coordinates","257055","2020-10-21","18:00:00",""
"4517735","6.19","0.0012","11.1","0.002","33.82","0.007","90","","90","","90","","2323.7","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 N2 O2 -","- C30 H26 N2 O2 -","- C120 H104 N8 O8 -","4","1","","Basavalingappa, Vasantha; Bera, Santu; Xue, Bin; O'Donnell, Joseph; Guerin, Sarah; Cazade, Pierre-Andre; Yuan, Hui; Haq, Ehtsham Ul; Silien, Christophe; Tao, Kai; Shimon, Linda J. W.; Tofail, Syed A. M.; Thompson, Damien; Kolusheva, Sofiya; Yang, Rusen; Cao, Yi; Gazit, Ehud","Diphenylalanine-Derivative Peptide Assemblies with Increased Aromaticity Exhibit Metal-like Rigidity and High Piezoelectricity.","ACS nano","2020","","","","","10.1021/acsnano.0c01654","","","0.8","synchrotron","","0.0703","0.061","","","0.1599","0.1686","","","","","","1.058","","","","has coordinates","252496","2020-10-21","18:00:00",""
"4517736","26.3544","0.0016","5.2948","0.0003","23.28","0.0015","90","","113.841","0.002","90","","2971.3","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C35 H36 N2 O5 -","- C35 H36 N2 O5 -","- C140 H144 N8 O20 -","4","1","","Basavalingappa, Vasantha; Bera, Santu; Xue, Bin; O'Donnell, Joseph; Guerin, Sarah; Cazade, Pierre-Andre; Yuan, Hui; Haq, Ehtsham Ul; Silien, Christophe; Tao, Kai; Shimon, Linda J. W.; Tofail, Syed A. M.; Thompson, Damien; Kolusheva, Sofiya; Yang, Rusen; Cao, Yi; Gazit, Ehud","Diphenylalanine-Derivative Peptide Assemblies with Increased Aromaticity Exhibit Metal-like Rigidity and High Piezoelectricity.","ACS nano","2020","","","","","10.1021/acsnano.0c01654","","","0.71073","MoKα","","0.0603","0.0411","","","0.0844","0.0909","","","","","","1.025","","","","has coordinates","252497","2020-10-21","18:00:00",""
"4517737","11.8784","0.0001","9.4884","0.0001","13.0176","0.0001","90","","92.605","0.001","90","","1465.66","0.02","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H31 F3 N2 O6 -","- C32 H31 F3 N2 O6 -","- C64 H62 F6 N4 O12 -","2","1","","Basavalingappa, Vasantha; Bera, Santu; Xue, Bin; O'Donnell, Joseph; Guerin, Sarah; Cazade, Pierre-Andre; Yuan, Hui; Haq, Ehtsham Ul; Silien, Christophe; Tao, Kai; Shimon, Linda J. W.; Tofail, Syed A. M.; Thompson, Damien; Kolusheva, Sofiya; Yang, Rusen; Cao, Yi; Gazit, Ehud","Diphenylalanine-Derivative Peptide Assemblies with Increased Aromaticity Exhibit Metal-like Rigidity and High Piezoelectricity.","ACS nano","2020","","","","","10.1021/acsnano.0c01654","","","1.54184","CuKα","","0.0412","0.0389","","","0.1019","0.1032","","","","","","1.052","","","","has coordinates","252498","2020-10-21","18:00:00",""
"4517738","12.2006","0.0003","34.6872","0.0006","13.1696","0.0002","90","","90","","90","","5573.44","0.19","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C60 H61 N4 O11 -","- C60 H61 N4 O11 -","- C240 H244 N16 O44 -","4","1","","Basavalingappa, Vasantha; Bera, Santu; Xue, Bin; O'Donnell, Joseph; Guerin, Sarah; Cazade, Pierre-Andre; Yuan, Hui; Haq, Ehtsham Ul; Silien, Christophe; Tao, Kai; Shimon, Linda J. W.; Tofail, Syed A. M.; Thompson, Damien; Kolusheva, Sofiya; Yang, Rusen; Cao, Yi; Gazit, Ehud","Diphenylalanine-Derivative Peptide Assemblies with Increased Aromaticity Exhibit Metal-like Rigidity and High Piezoelectricity.","ACS nano","2020","","","","","10.1021/acsnano.0c01654","","","1.54184","CuKα","","0.0751","0.0721","","","0.1817","0.1834","","","","","","1.16","","","","has coordinates,has disorder","252499","2020-10-21","18:00:00",""
"4517739","15.3733","0.0001","7.8961","0.0001","24.1511","0.0002","90","","92.627","0.001","90","","2928.6","0.05","100","0.17","100","0.17","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 O20 -","- C30 H31 O20 -","- C120 H124 O80 -","4","1","","Hu, Hongchao; Luo, Fan; Wang, Mingjie; Fu, Zhihuan; Shu, Xugang","New Method for Extracting and Purifying Dihydromyricetin from <i>Ampelopsis grossedentata</i>.","ACS omega","2020","5","23","13955","13962","10.1021/acsomega.0c01222","","x-ray","1.54184","CuKα","","0.0382","0.0344","","","0.0933","0.0956","","","","","","1.064","","","","has coordinates","253721","2020-10-21","18:00:00",""
"4517740","18.661","0.004","23.359","0.004","21.359","0.003","90","","101.962","0.006","90","","9108","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H24 In N2 O24 Tb2 -","- C58 H24 In N2 O24 Tb2 -","- C232 H96 In4 N8 O96 Tb8 -","4","0.5","","Chen, Hongtai; Fan, Liming; Zhang, Xiutang; Ma, Lufang","Nanocage-Based In<sup>III</sup>{Tb<sup>III</sup>}<sub>2</sub>-Organic Framework Featuring Lotus-Shaped Channels for Highly Efficient CO<sub>2</sub> Fixation and I<sub>2</sub> Capture.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c07061","","","0.71073","MoKα","","0.0754","0.0655","","","0.2312","0.2432","","","","","","1","","","","has coordinates","252985","2020-10-21","18:00:00",""
"4517741","10.2675","0.0001","14.2614","0.0001","12.6118","0.0001","90","","103.552","0.001","90","","1795.31","0.03","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N5 O2 -","- C22 H17 N5 O2 -","- C88 H68 N20 O8 -","4","1","","Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander","Scaffolding-induced property modulation of chemical space.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.0c00072","","","1.54184","CuKα","","0.0364","0.0344","","","0.0892","0.091","","","","","","1.035","","","","has coordinates","252993","2020-10-21","18:00:00",""
"4517742","6.375","0.0001","20.0436","0.0007","24.657","0.0009","100.604","0.003","97.291","0.002","98.132","0.002","3027.57","0.17","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N5 O2 -","- C24 H21 N5 O2 -","- C144 H126 N30 O12 -","6","3","","Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander","Scaffolding-induced property modulation of chemical space.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.0c00072","","","1.54184","CuKα","","0.086","0.0667","","","0.1974","0.244","","","","","","1.096","","","","has coordinates","252994","2020-10-21","18:00:00",""
"4517743","23.61","0.0006","8.2626","0.0001","12.5919","0.0003","90","","97.306","0.002","90","","2436.48","0.09","130","2","130","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C58 H46 N10 O6 -","- C58 H46 N10 O6 -","- C116 H92 N20 O12 -","2","1","","Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander","Scaffolding-induced property modulation of chemical space.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.0c00072","","","1.54184","CuKα","","0.079","0.0629","","","0.1717","0.1821","","","","","","1.048","","","","has coordinates","252995","2020-10-21","18:00:00",""
"4517744","8.3345","0.0003","12.5564","0.0003","38.1656","0.0018","90","","90","","90","","3994.1","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H19 N5 O2 -","- C23 H19 N5 O2 -","- C184 H152 N40 O16 -","8","1","","Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander","Scaffolding-induced property modulation of chemical space.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.0c00072","","","0.71073","MoKα","","0.0849","0.0518","","","0.1007","0.1154","","","","","","1.044","","","","has coordinates","252996","2020-10-21","18:00:00",""
"4517745","9.6089","0.0003","10.2089","0.0003","32.7406","0.001","90","","95.922","0.003","90","","3194.59","0.17","293","2","293","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C18 H17 N5 O2 -","- C18 H17 N5 O2 -","- C144 H136 N40 O16 -","8","1","","Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander","Scaffolding-induced property modulation of chemical space.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.0c00072","","","0.71073","MoKα","","0.0608","0.0459","","","0.1099","0.1217","","","","","","1.031","","","","has coordinates","252997","2020-10-21","18:00:00",""
"4517746","11.3753","0.0005","17.4576","0.0006","11.6713","0.0005","90","","106.119","0.005","90","","2226.63","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N5 O3 -","- C25 H23 N5 O3 -","- C100 H92 N20 O12 -","4","1","","Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander","Scaffolding-induced property modulation of chemical space.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.0c00072","","","0.71073","MoKα","","0.0656","0.0464","","","0.1026","0.1166","","","","","","1.043","","","","has coordinates","252998","2020-10-21","18:00:00",""
"4517747","9.26094","0.00004","9.56903","0.00005","13.38456","0.00006","90","","90","","90","","1186.12","0.01","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","1.54184","CuKα","","0.0409","0.0408","","","0.1194","0.1196","","","","","","1.191","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517748","7.9009","0.0002","10.9614","0.0003","13.2772","0.0004","90","","90","","90","","1149.87","0.06","150.01","0.1","150.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 Cl N2 O5 -","- C11 H7 Cl N2 O5 -","- C44 H28 Cl4 N8 O20 -","4","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","0.71073","MoKα","","0.0394","0.036","","","0.0742","0.0764","","","","","","1.037","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517749","9.6892","0.0004","9.8837","0.0004","10.8874","0.0004","90","","90","","90","","1042.63","0.07","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 O5 -","- C11 H8 N2 O5 -","- C44 H32 N8 O20 -","4","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","0.71073","MoKα","","0.0409","0.037","","","0.081","0.0831","","","","","","1.053","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517750","5.6724","0.0002","9.6556","0.0003","9.4591","0.0004","90","","103.91","0.004","90","","502.89","0.03","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H8 N2 O5 -","- C11 H8 N2 O5 -","- C22 H16 N4 O10 -","2","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","0.71073","MoKα","","0.0373","0.0347","","","0.0765","0.0778","","","","","","1.072","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517751","14.9944","0.0003","14.9944","0.0003","9.2172","0.0001","90","","90","","120","","1794.68","0.05","150","0.1","150","0.1","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C11 H11 N2 O3.5 -","- C11 H11 N2 O3.5 -","- C66 H66 N12 O21 -","6","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","1.54184","CuKα","","0.0317","0.0311","","","0.0957","0.0962","","","","","","1.133","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517752","4.7466","0.0001","12.1979","0.0002","16.5531","0.0003","90","","90","","90","","958.4","0.03","150.01","0.1","150.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 O3 -","- C11 H8 N2 O3 -","- C44 H32 N8 O12 -","4","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","1.54184","CuKα","","0.0326","0.0313","","","0.0821","0.0831","","","","","","1.063","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517753","8.3394","0.0003","9.2251","0.0003","10.2483","0.0003","112.584","0.003","102.063","0.003","99.352","0.003","685.68","0.05","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","","","- C13 H14 Cl2 N2 O2 -","- C13 H14 Cl2 N2 O2 -","- C26 H28 Cl4 N4 O4 -","2","2","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","1.54184","CuKα","","0.0309","0.0305","","","0.0866","0.0873","","","","","","1.048","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517754","10.0284","0.0003","11.8376","0.0003","18.0484","0.0005","90","","90","","90","","2142.57","0.1","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 O5 -","- C11 H8 N2 O5 -","- C88 H64 N16 O40 -","8","2","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","0.71073","MoKα","","0.0453","0.039","","","0.0794","0.0823","","","","","","1.071","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517755","9.90829","0.00008","9.74229","0.00007","19.67523","0.00017","90","","102.549","0.0008","90","","1853.87","0.03","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C88 H80 N16 O16 -","8","4","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","1.54184","CuKα","","0.0363","0.0359","","","0.0963","0.0971","","","","","","1.037","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517756","9.7398","0.0004","8.1494","0.0003","21.0519","0.0009","90","","90.893","0.002","90","","1670.76","0.12","100","2","100.01","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O6 -","- C18 H20 O6 -","- C72 H80 O24 -","4","1","","Wang, Zhihan; Scheuring, Mark; Mabin, Micah; Shahni, Rahul; Wang, Zijun D.; Ugrinov, Angel; Butz, Jonathan; Chu, Qianli R.","Renewable Cyclobutane-1,3-dicarboxylic Acid (CBDA) Building Block Synthesized from Furfural via Photocyclization","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c00708","","","0.71073","MoKα","","0.0426","0.0369","","","0.1015","0.1126","","","","","","1.111","","","","has coordinates","253009","2020-10-21","18:00:00",""
"4517757","8.2085","0.0005","8.3297","0.0005","10.3384","0.0006","73.144","0.004","68.207","0.004","86.546","0.004","627.27","0.07","100","2","99.99","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H12 O6 -","- C14 H12 O6 -","- C28 H24 O12 -","2","1","","Wang, Zhihan; Scheuring, Mark; Mabin, Micah; Shahni, Rahul; Wang, Zijun D.; Ugrinov, Angel; Butz, Jonathan; Chu, Qianli R.","Renewable Cyclobutane-1,3-dicarboxylic Acid (CBDA) Building Block Synthesized from Furfural via Photocyclization","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c00708","","","0.71073","MoKα","","0.0493","0.0433","","","0.1189","0.1247","","","","","","1.084","","","","has coordinates","253009","2020-10-21","18:00:00",""
"4517758","6.56646","0.00002","11.4444","0.00004","6.94202","0.00002","90","","90.5668","0.0003","90","","521.662","0.003","295","","295","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","K2ZrF6","","","- F6 K2 Zr -","- F6 K2 Zr -","- F24 K8 Zr4 -","4","0.5","","Lubomir Smrcok; Armel Le Bail; Miroslav Boca; Aydar Rakhmatullin","Polymorphism of K2ZrF6","Crystal Growth & Design","2020","20","","3867","3881","10.1021/acs.cgd.0c00166","powder diffraction","x-ray","0.825631","synchrotron","","","","","","","","","1.9943","1.532","","","","","","","has coordinates","253092","2020-10-21","18:00:00",""
"4517759","9.15641","0.00003","9.15641","0.00003","9.15641","0.00003","90","","90","","90","","767.672","0.004","768","","768","","","","","","","","","3","F m -3 m","-F 4 2 3","225","K2ZrF6","","","- F6 K2 Zr -","- F5.9988 K2 Zr -","- F23.9952 K8 Zr4 -","4","0.0208333","","Lubomir Smrcok; Armel Le Bail; Miroslav Boca; Aydar Rakhmatullin","Polymorphism of K2ZrF6","Crystal Growth & Design","2020","20","","3867","3881","10.1021/acs.cgd.0c00166","powder diffraction","x-ray","0.826946","synchrotron","","","","","","","","","4.1396","1.524","","","","","","","has coordinates","253093","2020-10-21","18:00:00",""
"4517760","6.33605","0.00002","6.33605","0.00002","9.29458","0.00005","90","","90","","90","","373.136","0.003","473","","473","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","K2ZrF6","","","- F6 K2 Zr -","- F6 K2 Zr -","- F12 K4 Zr2 -","2","0.125","","Lubomir Smrcok; Armel Le Bail; Miroslav Boca; Aydar Rakhmatullin","Polymorphism of K2ZrF6","Crystal Growth & Design","2020","20","","3867","3881","10.1021/acs.cgd.0c00166","powder diffraction","x-ray","0.826946","synchrotron","","","","","","","","","5.102","2.293","","","","","","","has coordinates","253094","2020-10-21","18:00:00",""
"4517761","6.37122","0.00008","20.5603","0.0003","19.6642","0.0003","90","","90","","90","","2575.9","0.06","327","","327","","","","","","","","","3","C m c m","-C 2c 2","63","K2ZrF6","","","- F6 K2 Zr -","- F6 K2 Zr -","- F96 K32 Zr16 -","16","1","","Lubomir Smrcok; Armel Le Bail; Miroslav Boca; Aydar Rakhmatullin","Polymorphism of K2ZrF6","Crystal Growth & Design","2020","20","","3867","3881","10.1021/acs.cgd.0c00166","powder diffraction","x-ray","0.82711","synchrotron","","","","","","","","","6.029","3.447","","","","","","","has coordinates","253095","2020-10-21","18:00:00",""
"4517762","6.4084","0.00005","20.76974","0.00018","19.9888","0.00017","90","","90","","90","","2660.53","0.04","568","","568","","","","","","","","","3","C m c m","-C 2c 2","63","K2ZrF6","","","- F6 K2 Zr -","- F6 K2 Zr -","- F96 K32 Zr16 -","16","1","","Lubomir Smrcok; Armel Le Bail; Miroslav Boca; Aydar Rakhmatullin","Polymorphism of K2ZrF6","Crystal Growth & Design","2020","20","","3867","3881","10.1021/acs.cgd.0c00166","powder diffraction","x-ray","0.82711","synchrotron","","","","","","","","","7.6317","3.73","","","","","","","has coordinates","253096","2020-10-21","18:00:00",""
"4517763","10.30844","0.00007","6.02909","0.00003","23.80175","0.00014","90","","90","","90","","1479.29","0.015","768","","768","","","","","","","","","3","P n m a","-P 2ac 2n","62","K2ZrF6","","","- F6 K2 Zr -","- F6 K2 Zr -","- F48 K16 Zr8 -","8","1","","Lubomir Smrcok; Armel Le Bail; Miroslav Boca; Aydar Rakhmatullin","Polymorphism of K2ZrF6","Crystal Growth & Design","2020","20","","3867","3881","10.1021/acs.cgd.0c00166","powder diffraction","x-ray","0.826946","synchrotron","","","","","","","","","13.3758","1.524","","","","","","","has coordinates","253097","2020-10-21","18:00:00",""
"4517764","42.1499","0.0014","7.5617","0.0002","28.9285","0.001","90","","127.74","0.001","90","","7291.3","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 N6 Ni S4 -","- C14 H11 N6 Ni S4 -","- C224 H176 N96 Ni16 S64 -","16","2","","Qian, Yin; Shao, Dong-Sheng; Yao, Wan-Wan; Yao, Zhi-Yuan; Wang, Lifeng; Liu, Wenlong; Ren, Xiao-Ming","A promising phase change material with record high ionic conductivity over a wide temperature range of plastic crystal phase and magnetic thermal memory effect.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c04751","","","0.71073","MoKα","","0.0929","0.0843","","","0.1877","0.1909","","","","","","1.231","","","","has coordinates,has disorder","253127","2020-10-21","18:00:00",""
"4517765","6.9727","0.0011","19.869","0.003","12.956","0.002","90","","91.013","0.004","90","","1794.7","0.5","101","","101","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C23 H20 N2 -","- C23 H20 N2 -","- C92 H80 N8 -","4","1","","Adhikary, Saswati; Majumder, Leena; Pakrashy, Sourav; Srinath, Ravuri; Mukherjee, Kaustuv; Mandal, Chitra; Banerji, Biswadip","Polysubstituted Imidazoles as LysoTracker Molecules: Their Synthesis via Iodine/H<sub>2</sub>O and Cell-Imaging Studies.","ACS omega","2020","5","24","14394","14407","10.1021/acsomega.0c00934","","","1.54178","CuKα","","0.0354","0.0353","","","0.0871","0.0871","","","","","","1.104","","","","has coordinates","253714","2020-10-21","18:00:00",""
"4517766","9.9474","0.0003","14.0292","0.0004","18.0762","0.0006","90","","91.968","0.001","90","","2521.12","0.13","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N2 -","- C36 H26 N2 -","- C144 H104 N8 -","4","1","","Adhikary, Saswati; Majumder, Leena; Pakrashy, Sourav; Srinath, Ravuri; Mukherjee, Kaustuv; Mandal, Chitra; Banerji, Biswadip","Polysubstituted Imidazoles as LysoTracker Molecules: Their Synthesis via Iodine/H<sub>2</sub>O and Cell-Imaging Studies.","ACS omega","2020","5","24","14394","14407","10.1021/acsomega.0c00934","","","1.54178","CuKα","","0.0364","0.0355","","","0.0888","0.0896","","","","","","1.054","","","","has coordinates","253714","2020-10-21","18:00:00",""
"4517767","5.8952","0.0004","8.3803","0.0004","21.5947","0.0013","94.192","0.005","91.254","0.005","96.483","0.005","1056.71","0.11","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 F N2 O4 S -","- C24 H19 F N2 O4 S -","- C48 H38 F2 N4 O8 S2 -","2","1","","Wang, Ning; Yang, Qin; Deng, Zhihong; Mao, Xuechun; Peng, Yiyuan","Rhodium-Catalyzed Merging of 2-Arylquinazolinone and 2,2-Difluorovinyl Tosylate: Diverse Synthesis of Monofluoroolefin Quinazolinone Derivatives.","ACS omega","2020","5","24","14635","14644","10.1021/acsomega.0c01344","","x-ray","0.71073","MoKα","","0.0631","0.05","","","0.1179","0.1264","","","","","","1.062","","","","has coordinates","253713","2020-10-21","18:00:00",""
"4517768","8.50945","0.00004","11.48583","0.00006","28.11292","0.00013","90","","90","","90","","2747.7","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 Br N2 O2 -","- C30 H45 Br N2 O2 -","- C120 H180 Br4 N8 O8 -","4","1","","Pernak, Juliusz; Rzemieniecki, Tomasz; Klejdysz, Tomasz; Qu, Fengrui; Rogers, Robin D.","Conversion of Quinine Derivatives into Biologically Active Ionic Liquids: Advantages, Multifunctionality, and Perspectives","ACS Sustainable Chemistry & Engineering","2020","8","25","9263","9267","10.1021/acssuschemeng.0c03501","","x-ray","1.54184","CuKα","","0.0186","0.0186","","","0.0476","0.0477","","","","","","1.057","","","","has coordinates","257093","2020-10-21","18:00:00",""
"4517769","8.25467","0.00002","13.60583","0.00004","22.29025","0.00007","90","","90","","90","","2503.45","0.012","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 Br N2 O3 -","- C25 H37 Br N2 O3 -","- C100 H148 Br4 N8 O12 -","4","1","","Pernak, Juliusz; Rzemieniecki, Tomasz; Klejdysz, Tomasz; Qu, Fengrui; Rogers, Robin D.","Conversion of Quinine Derivatives into Biologically Active Ionic Liquids: Advantages, Multifunctionality, and Perspectives","ACS Sustainable Chemistry & Engineering","2020","8","25","9263","9267","10.1021/acssuschemeng.0c03501","","x-ray","1.54184","CuKα","","0.0166","0.0166","","","0.044","0.044","","","","","","1.062","","","","has coordinates","257093","2020-10-21","18:00:00",""
"4517770","9.9422","0.0008","6.0314","0.0005","15.453","0.0012","90","","103.236","0.002","90","","902.03","0.13","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H18 B2 F6 K2 O4 -","- C12 H18 B2 F6 K2 O4 -","- C24 H36 B4 F12 K4 O8 -","2","1","","Wittmann, Bruce J.; Knight, Anders M.; Hofstra, Julie L.; Reisman, Sarah E.; Jennifer Kan, S. B.; Arnold, Frances H.","Diversity-Oriented Enzymatic Synthesis of Cyclopropane Building Blocks","ACS Catalysis","2020","10","13","7112","7116","10.1021/acscatal.0c01888","","","0.71073","MoKα","","0.0225","0.0215","","","0.056","0.0565","","","","","","1.054","","","","has coordinates","257001","2020-10-21","18:00:00",""
"4517771","19.1679","0.0007","10.1706","0.0003","23.0399","0.0008","90","","98.625","0.002","90","","4440.8","0.3","273","2","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H59 Cl N4 O2 Ti -","- C49 H59 Cl N4 O2 Ti -","- C196 H236 Cl4 N16 O8 Ti4 -","4","1","","Hao, Han; Schafer, Laurel L.","Metal‒Ligand Cooperativity in Titanium-Catalyzed Anti-Markovnikov Hydroamination","ACS Catalysis","2020","","","7100","","10.1021/acscatal.0c00491","","","0.71073","MoKα","","0.0883","0.0454","","","0.0955","0.1129","","","","","","1.024","","","","has coordinates","253208","2020-10-21","18:00:00",""
"4517772","8.389","0.003","9.214","0.002","9.659","0.003","102.796","0.014","99.295","0.016","100.694","0.01","699.2","0.4","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","1","0.5","","Liu, Lei; Song, Hong; Liu, Yan-Hua; Wu, Le-Song; Shi, Bing-Feng","Achiral CpxIr(III)/Chiral Carboxylic Acid Catalyzed Enantioselective C‒H Amidation of Ferrocenes under Mild Conditions","ACS Catalysis","2020","10","13","7117","7122","10.1021/acscatal.0c02049","","","0.71073","MoKα","","0.0222","0.0214","","","0.0497","0.0502","","","","","","1.057","","","","has coordinates","257004","2020-10-21","18:00:00",""
"4517773","10.5631","0.0003","10.5631","0.0003","34.9612","0.0011","90","","90","","90","","3900.9","0.2","170","2","170","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20 H18 Br2 Fe N2 O2 -","- C20 H18 Br2 Fe N2 O2 -","- C160 H144 Br16 Fe8 N16 O16 -","8","1","","Liu, Lei; Song, Hong; Liu, Yan-Hua; Wu, Le-Song; Shi, Bing-Feng","Achiral CpxIr(III)/Chiral Carboxylic Acid Catalyzed Enantioselective C‒H Amidation of Ferrocenes under Mild Conditions","ACS Catalysis","2020","10","13","7117","7122","10.1021/acscatal.0c02049","","","0.71073","MoKα","","0.0458","0.038","","","0.0797","0.083","","","","","","1.031","","","","has coordinates","257004","2020-10-21","18:00:00",""
"4517774","5.2215","0.0013","7.9597","0.0019","23.385","0.006","87.72","0.008","86.471","0.008","89.947","0.007","969.3","0.4","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C21 H17 Br2 N O2 S -","- C21 H17 Br2 N O2 S -","- C42 H34 Br4 N2 O4 S2 -","2","2","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","","0.71073","MoKα","","0.1","0.0875","","","0.2155","0.228","","","","","","1.032","","","","has coordinates","257002","2020-10-21","18:00:00",""
"4517775","12.4627","0.0009","18.1472","0.0012","12.9349","0.0009","90","","93.987","0.003","90","","2918.3","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","- C104 H168 Cl16 Ir8 -","4","1","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","x-ray","0.71073","MoKα","","0.1176","0.1097","","","0.2322","0.2356","","","","","","1.28","","","","has coordinates,has disorder","257002","2020-10-21","18:00:00",""
"4517776","5.5584","0.0014","14.559","0.004","27.412","0.007","90","","90","","90","","2218.3","1","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 F6 N O4 S -","- C23 H17 F6 N O4 S -","- C92 H68 F24 N4 O16 S4 -","4","1","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","x-ray","0.71073","MoKα","","0.0784","0.0663","","","0.1691","0.18","","","","","","1.047","","","","has coordinates,has disorder","257002","2020-10-21","18:00:00",""
"4517777","10.993","0.0005","14.5354","0.0007","12.7588","0.0007","90","","94.905","0.002","90","","2031.23","0.17","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 Ir O S -","- C24 H27 Ir O S -","- C96 H108 Ir4 O4 S4 -","4","1","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","x-ray","0.71073","MoKα","","0.0426","0.0388","","","0.1051","0.1077","","","","","","1.059","","","","has coordinates","257002","2020-10-21","18:00:00",""
"4517778","8.3494","0.0005","9.1549","0.0006","9.6175","0.0006","102.865","0.002","98.989","0.002","100.722","0.002","689.02","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","1","0.5","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","x-ray","0.71073","MoKα","","0.0323","0.0313","","","0.086","0.0867","","","","","","1.095","","","","has coordinates","257002","2020-10-21","18:00:00",""
"4517779","10.548","0.003","11.96","0.003","13.948","0.003","94.54","0.005","111.21","0.004","115.903","0.004","1415.3","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H29 N2 O3 -","- C29 H28 N2 O3 -","- C58 H56 N4 O6 -","2","1","","Guo, Tao; Ding, Yalan; Zhou, Lili; Xu, Haiyan; Loh, Teck-Peng; Wu, Xiaojin","Palladium-Catalyzed anti-Michael Reductive Heck Reaction of α,β-Unsaturated Esters","ACS Catalysis","2020","10","13","7262","7268","10.1021/acscatal.0c02414","","","0.71073","MoKα","","0.2061","0.1036","","","0.2003","0.2382","","","","","","1.161","","","","has coordinates","257000","2020-10-21","18:00:00",""
"4517780","12.4492","0.0011","12.9077","0.0012","16.7609","0.0015","93.584","0.002","93.336","0.002","116.209","0.001","2400.6","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl4 N12 Ni2 O12 -","- C32 H32 Cl4 N12 Ni2 O12 -","- C64 H64 Cl8 N24 Ni4 O24 -","2","1","","Arunachalam, Rajendran; Chinnaraja, Eswaran; Subramanian, Saravanan; Suresh, Eringathodi; Subramanian, Palani S.","Catalytic Conversion of Carbon Dioxide Using Binuclear Double-Stranded Helicates: Cyclic Carbonate from Epoxides and Diol","ACS Omega","2020","5","25","14890","14899","10.1021/acsomega.9b04241","","","0.71073","MoKα","","0.0966","0.0782","","","0.1962","0.2073","","","","","","1.068","","","","has coordinates","257067","2020-10-21","18:00:00",""
"4517781","16.747","0.004","16.263","0.004","16.884","0.004","90","","102.324","0.004","90","","4492.5","1.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 N16 O16 Zn2 -","- C32 H32 N16 O16 Zn2 -","- C128 H128 N64 O64 Zn8 -","4","0.5","","Arunachalam, Rajendran; Chinnaraja, Eswaran; Subramanian, Saravanan; Suresh, Eringathodi; Subramanian, Palani S.","Catalytic Conversion of Carbon Dioxide Using Binuclear Double-Stranded Helicates: Cyclic Carbonate from Epoxides and Diol","ACS Omega","2020","5","25","14890","14899","10.1021/acsomega.9b04241","","","0.71073","MoKα","","0.0906","0.0789","","","0.2137","0.2191","","","","","","1.12","","","","has coordinates","257067","2020-10-21","18:00:00",""
"4517782","17.656","0.005","9.054","0.003","9.668","0.003","90","","102.861","0.006","90","","1506.7","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N6 O2 -","- C15 H14 N6 O2 -","- C60 H56 N24 O8 -","4","1","","Arunachalam, Rajendran; Chinnaraja, Eswaran; Subramanian, Saravanan; Suresh, Eringathodi; Subramanian, Palani S.","Catalytic Conversion of Carbon Dioxide Using Binuclear Double-Stranded Helicates: Cyclic Carbonate from Epoxides and Diol","ACS Omega","2020","5","25","14890","14899","10.1021/acsomega.9b04241","","","0.71073","MoKα","","0.1612","0.1239","","","0.2839","0.301","","","","","","1.185","","","","has coordinates","257067","2020-10-21","18:00:00",""
"4517783","8.6269","0.0002","9.0681","0.0002","14.8527","0.0003","75.02","0.0006","86.4","0.0008","65.994","0.001","1024.16","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N O3 Sn -","- C23 H23 N O3 Sn -","- C46 H46 N2 O6 Sn2 -","2","1","","Khan, Huzaifa Yasir; Maurya, Santosh K.; Siddique, Hifzur R.; Yousuf, Shariq; Arjmand, Farukh","New Tailored RNA-Targeted Organometallic Drug Candidates against Huh7 (Liver) and Du145 (Prostate) Cancer Cell Lines","ACS Omega","2020","5","25","15218","15228","10.1021/acsomega.0c01206","","","0.71073","MoKα","","0.0266","0.0235","","","0.0486","0.0504","","","","","","1.0529","","","","has coordinates","257068","2020-10-21","18:00:00",""
"4517784","9.833","0.0003","17.3251","0.0007","11.7851","0.0004","90","","94.219","0.002","90","","2002.24","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 -","- C12 H12 N2 -","- C96 H96 N16 -","8","2","","Mbugua, Simon N.; Sibuyi, Nicole R. S.; Njenga, Lydia W.; Odhiambo, Ruth A.; Wandiga, Shem O.; Meyer, Mervin; Lalancette, Roger A.; Onani, Martin O.","New Palladium(II) and Platinum(II) Complexes Based on Pyrrole Schiff Bases: Synthesis, Characterization, X-ray Structure, and Anticancer Activity","ACS Omega","2020","5","25","14942","14954","10.1021/acsomega.0c00360","","","1.54178","CuKα","","0.0338","0.0321","","","0.0876","0.0892","","","","","","1.031","","","","has coordinates","257069","2020-10-21","18:00:00",""
"4517785","9.6273","0.0004","9.7032","0.0004","20.4587","0.0009","90","","96.053","0.002","90","","1900.51","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N2 S -","- C10 H10 N2 S -","- C80 H80 N16 S8 -","8","1","","Mbugua, Simon N.; Sibuyi, Nicole R. S.; Njenga, Lydia W.; Odhiambo, Ruth A.; Wandiga, Shem O.; Meyer, Mervin; Lalancette, Roger A.; Onani, Martin O.","New Palladium(II) and Platinum(II) Complexes Based on Pyrrole Schiff Bases: Synthesis, Characterization, X-ray Structure, and Anticancer Activity","ACS Omega","2020","5","25","14942","14954","10.1021/acsomega.0c00360","","","1.54178","CuKα","","0.0596","0.0576","","","0.1632","0.1648","","","","","","1.075","","","","has coordinates","257069","2020-10-21","18:00:00",""
"4517786","8.0734","0.0001","18.0661","0.0003","11.5367","0.0002","90","","94.229","0.001","90","","1678.1","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cl2 N2 O Pt S -","- C14 H18 Cl2 N2 O Pt S -","- C56 H72 Cl8 N8 O4 Pt4 S4 -","4","1","","Mbugua, Simon N.; Sibuyi, Nicole R. S.; Njenga, Lydia W.; Odhiambo, Ruth A.; Wandiga, Shem O.; Meyer, Mervin; Lalancette, Roger A.; Onani, Martin O.","New Palladium(II) and Platinum(II) Complexes Based on Pyrrole Schiff Bases: Synthesis, Characterization, X-ray Structure, and Anticancer Activity","ACS Omega","2020","5","25","14942","14954","10.1021/acsomega.0c00360","","","1.54178","CuKα","","0.0222","0.0215","","","0.0494","0.0497","","","","","","1.212","","","","has coordinates","257069","2020-10-21","18:00:00",""
"4517787","7.0497","0.0011","8.924","0.0009","22.361","0.003","90","","93.939","0.011","90","","1403.4","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 N5 O -","- C17 H11 N5 O -","- C68 H44 N20 O4 -","4","1","","Kvashnin, Yuriy A.; Verbitskiy, Egor V.; Zhilina, Ekaterina F.; Rusinov, Gennady L.; Chupakhin, Oleg N.; Charushin, Valery N.","Synthesis of Heteroannulated Indolopyrazines through Domino N‒H Palladium-Catalyzed/Metal-Free Oxidative C‒H Bond Activation","ACS Omega","2020","5","25","15681","15690","10.1021/acsomega.0c01945","","","0.71073","MoKα","","0.1272","0.0515","","","0.1095","0.1511","","","","","","1.001","","","","has coordinates","257070","2020-10-21","18:00:00",""
"4517788","12.269","0.0008","9.289","0.0007","21.0005","0.0016","90","","92.724","0.002","90","","2390.7","0.3","373","2","373","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 Mn2 N2 O10 -","- C16 H26 Mn2 N2 O10 -","- C64 H104 Mn8 N8 O40 -","4","1","","Dera, Przemyslaw; Bruffey, Edward; Finkelstein, Gregory J.; Kelly, Colleen; Gigante, Angelina; Hagemann, Hans; Severa, Godwin","Synthesis, Characterization, and Crystal Structures of Two New Manganese Aceto EMIM Ionic Compounds with Chains of Mn2+ Ions Coordinated Exclusively by Acetate","ACS Omega","2020","5","25","15592","15600","10.1021/acsomega.0c01820","","","0.56086","AgKα","","0.0707","0.0532","","","0.1036","0.1095","","","","","","1.116","","","","has coordinates,has disorder","257071","2020-10-21","18:00:00",""
"4517789","9.362","0.002","10.82","0.003","12.659","0.003","70.17","0.005","87.581","0.005","79.631","0.006","1186.3","0.5","573","2","573","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 Mn2 N2 O11 -","- C16 H28 Mn2 N2 O11 -","- C32 H56 Mn4 N4 O22 -","2","1","","Dera, Przemyslaw; Bruffey, Edward; Finkelstein, Gregory J.; Kelly, Colleen; Gigante, Angelina; Hagemann, Hans; Severa, Godwin","Synthesis, Characterization, and Crystal Structures of Two New Manganese Aceto EMIM Ionic Compounds with Chains of Mn2+ Ions Coordinated Exclusively by Acetate","ACS Omega","2020","5","25","15592","15600","10.1021/acsomega.0c01820","","","0.56086","AgKα","","0.1143","0.0661","","","0.1493","0.177","","","","","","1.029","","","","has coordinates","257071","2020-10-21","18:00:00",""
"4517790","8.8397","0.0007","19.7094","0.0018","8.4762","0.0006","90","","90","","90","","1476.8","0.2","296","2","296","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C H5 I2 N Pb -","- C H5 I2 N Pb -","- C8 H40 I16 N8 Pb8 -","8","0.5","","Febriansyah, Benny; Koh, Teck Ming; Rana, Prem Jyoti Singh; Hooper, Thomas J. N.; Ang, Zhi Zhong; Li, Yongxin; Bruno, Annalisa; Grätzel, Michael; England, Jason; Mhaisalkar, Subodh G.; Mathews, Nripan","Hybrid 2D [Pb(CH3NH2)I2]n Coordination Polymer Precursor for Scalable Perovskite Deposition","ACS Energy Letters","2020","","","2305","2312","10.1021/acsenergylett.0c00781","","","0.71073","MoKα","","0.0685","0.0382","","","0.0673","0.0769","","","","","","1.036","","","","has coordinates","257084","2020-10-21","18:00:00",""
"4517791","8.7746","0.0005","19.2817","0.0012","8.4744","0.0005","90","","90","","90","","1433.78","0.15","100","2","100","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C H5 I2 N Pb -","- C H5 I2 N Pb -","- C8 H40 I16 N8 Pb8 -","8","0.5","","Febriansyah, Benny; Koh, Teck Ming; Rana, Prem Jyoti Singh; Hooper, Thomas J. N.; Ang, Zhi Zhong; Li, Yongxin; Bruno, Annalisa; Grätzel, Michael; England, Jason; Mhaisalkar, Subodh G.; Mathews, Nripan","Hybrid 2D [Pb(CH3NH2)I2]n Coordination Polymer Precursor for Scalable Perovskite Deposition","ACS Energy Letters","2020","","","2305","2312","10.1021/acsenergylett.0c00781","","","0.71073","MoKα","","0.029","0.0249","","","0.0506","0.0523","","","","","","1.095","","","","has coordinates","257084","2020-10-21","18:00:00",""
"4517792","14.4002","0.001","9.7533","0.0005","18.1436","0.0012","90","","111.301","0.008","90","","2374.2","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H21 N3 O S -","- C32 H21 N3 O S -","- C128 H84 N12 O4 S4 -","4","1","","Yang, Zhiwen; Zhan, Yingying; Qiu, Zhipeng; Zeng, Jiajie; Guo, Jingjing; Hu, Sheng; Zhao, Zujin; Li, Xianwei; Ji, Shaomin; Huo, Yanping; Su, Shi-Jian","Stimuli-Responsive Aggregation-Induced Delayed Fluorescence Emitters Featuring the Asymmetric D-A Structure with a Novel Diarylketone Acceptor Toward Efficient OLEDs with Negligible Efficiency Roll-Off.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c07612","","x-ray","0.71073","MoKα","","0.0599","0.0449","","","0.0977","0.1063","","","","","","1.055","","","","has coordinates","253357","2020-10-21","18:00:00",""
"4517793","8.6536","0.0004","9.1304","0.0004","15.3764","0.0007","82.122","0.004","76.998","0.004","71.554","0.004","1120.08","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H21 N3 O2 -","- C32 H21 N3 O2 -","- C64 H42 N6 O4 -","2","1","","Yang, Zhiwen; Zhan, Yingying; Qiu, Zhipeng; Zeng, Jiajie; Guo, Jingjing; Hu, Sheng; Zhao, Zujin; Li, Xianwei; Ji, Shaomin; Huo, Yanping; Su, Shi-Jian","Stimuli-Responsive Aggregation-Induced Delayed Fluorescence Emitters Featuring the Asymmetric D-A Structure with a Novel Diarylketone Acceptor Toward Efficient OLEDs with Negligible Efficiency Roll-Off.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c07612","","x-ray","1.54184","CuKα","","0.0652","0.0539","","","0.1469","0.159","","","","","","1.035","","","","has coordinates","253358","2020-10-21","18:00:00",""
"4517794","9.7565","0.0011","23.074","0.003","11.8555","0.0011","90","","103.531","0.01","90","","2594.8","0.5","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 N3 O -","- C35 H27 N3 O -","- C140 H108 N12 O4 -","4","1","","Yang, Zhiwen; Zhan, Yingying; Qiu, Zhipeng; Zeng, Jiajie; Guo, Jingjing; Hu, Sheng; Zhao, Zujin; Li, Xianwei; Ji, Shaomin; Huo, Yanping; Su, Shi-Jian","Stimuli-Responsive Aggregation-Induced Delayed Fluorescence Emitters Featuring the Asymmetric D-A Structure with a Novel Diarylketone Acceptor Toward Efficient OLEDs with Negligible Efficiency Roll-Off.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c07612","","x-ray","0.71073","MoKα","","0.0843","0.0566","","","0.1103","0.1226","","","","","","1.071","","","","has coordinates","253359","2020-10-21","18:00:00",""
"4517795","8.6828","0.0006","9.3681","0.0006","15.4637","0.0011","83.527","0.006","76.819","0.006","72.172","0.006","1164.64","0.15","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H21 N3 O S -","- C32 H21 N3 O S -","- C64 H42 N6 O2 S2 -","2","1","","Yang, Zhiwen; Zhan, Yingying; Qiu, Zhipeng; Zeng, Jiajie; Guo, Jingjing; Hu, Sheng; Zhao, Zujin; Li, Xianwei; Ji, Shaomin; Huo, Yanping; Su, Shi-Jian","Stimuli-Responsive Aggregation-Induced Delayed Fluorescence Emitters Featuring the Asymmetric D-A Structure with a Novel Diarylketone Acceptor Toward Efficient OLEDs with Negligible Efficiency Roll-Off.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c07612","","x-ray","0.71073","MoKα","","0.0647","0.0489","","","0.1025","0.1135","","","","","","1.039","","","","has coordinates","253360","2020-10-21","18:00:00",""
"4517796","12.6221","0.0006","20.3106","0.001","22.3941","0.001","90","","90","","90","","5741","0.5","100","2","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C51 H51 F9 N5 O9 P3 Ru S3 -","- C51 H51 F9 N5 O9 P3 Ru S3 -","- C204 H204 F36 N20 O36 P12 Ru4 S12 -","4","1","","Erickson, Jeremy D.; Preston, Andrew Z.; Linehan, John C.; Wiedner, Eric S.","Enhanced Hydrogenation of Carbon Dioxide to Methanol by a Ruthenium Complex with a Charged Outer-Coordination Sphere","ACS Catalysis","2020","10","13","7419","7423","10.1021/acscatal.0c02268","","","0.71073","MoKα","","0.0407","0.0376","","","0.0931","0.095","","","","","","1.074","","","","has coordinates,has disorder","257003","2020-10-21","18:00:00",""
"4517797","14.0505","0.0005","14.0505","0.0005","21.0782","0.0008","90","","90","","120","","3603.7","0.2","138","3","138","3","","","","","","","","8","R 3 :H","R 3","146","","","","- C28.5 H58.5 Ba Br6 N1.5 O13.5 Rb Sb -","- C28.5 H58.5 Ba Br6 N1.5 O13.5 Rb Sb -","- C85.5 H175.5 Ba3 Br18 N4.5 O40.5 Rb3 Sb3 -","3","0.333333","","Morad, Viktoriia; Yakunin, Sergii; Kovalenko, Maksym V.","Supramolecular Approach for Fine-Tuning of the Bright Luminescence from Zero-Dimensional Antimony(III) Halides","ACS Materials Letters","2020","","","845","852","10.1021/acsmaterialslett.0c00174","","x-ray","0.71073","MoKα","K-L~3~","0.0324","0.0257","","","0.0596","0.0618","","","","","","1.062","","","","has coordinates,has disorder","257090","2020-10-21","18:00:00",""
"4517798","10.3975","0.0005","10.468","0.0006","11.1155","0.0006","81.237","0.005","80.582","0.004","82.112","0.004","1171.73","0.11","229.96","0.14","229.96","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C30 H62 Cl5 N2 O14 Rb2 Sb -","- C30 H62 Cl5 N2 O14 Rb2 Sb -","- C30 H62 Cl5 N2 O14 Rb2 Sb -","1","0.5","","Morad, Viktoriia; Yakunin, Sergii; Kovalenko, Maksym V.","Supramolecular Approach for Fine-Tuning of the Bright Luminescence from Zero-Dimensional Antimony(III) Halides","ACS Materials Letters","2020","","","845","852","10.1021/acsmaterialslett.0c00174","","x-ray","0.71073","MoKα","K-L~3~","0.0639","0.0417","","","0.0878","0.098","","","","","","1.025","","","","has coordinates,has disorder","257090","2020-10-21","18:00:00",""
"4517799","10.586","0.0004","10.6601","0.0006","11.3458","0.0005","80.574","0.004","80.343","0.003","82.145","0.004","1237.29","0.1","250","0.1","250","0.1","","","","","","","","7","P -1","-P 1","2","","Rubidium pentabromoantimonate(III) 1,4,7,10,13,16-hexaoxacyclooctadecane N,N-dimethylformamide","","- C30 H62 Br5 N2 O14 Rb2 Sb -","- C30 H62 Br5 N2 O14 Rb2 Sb -","- C30 H62 Br5 N2 O14 Rb2 Sb -","1","0.5","","Morad, Viktoriia; Yakunin, Sergii; Kovalenko, Maksym V.","Supramolecular Approach for Fine-Tuning of the Bright Luminescence from Zero-Dimensional Antimony(III) Halides","ACS Materials Letters","2020","","","845","852","10.1021/acsmaterialslett.0c00174","","x-ray","0.71073","MoKα","K-L~3~","0.0361","0.0278","","","0.0657","0.069","","","","","","1.027","","","","has coordinates,has disorder","257090","2020-10-21","18:00:00",""
"4517800","21.1006","0.0003","8.53683","0.00013","24.3975","0.0004","90","","98.4941","0.0015","90","","4346.57","0.12","230","0.2","230","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H55 Cl5 Cs2 N O13 Sb -","- C27 H55 Cl5 Cs2 N O13 Sb -","- C108 H220 Cl20 Cs8 N4 O52 Sb4 -","4","1","","Morad, Viktoriia; Yakunin, Sergii; Kovalenko, Maksym V.","Supramolecular Approach for Fine-Tuning of the Bright Luminescence from Zero-Dimensional Antimony(III) Halides","ACS Materials Letters","2020","","","845","852","10.1021/acsmaterialslett.0c00174","","x-ray","0.71073","MoKα","K-L~3~","0.069","0.0376","","","0.0519","0.0587","","","","","","0.995","","","","has coordinates,has disorder","257090","2020-10-21","18:00:00",""
"4517801","31.9947","0.0006","9.10191","0.00015","14.9567","0.0003","90","","90","","90","","4355.58","0.14","120.01","0.18","120.01","0.18","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H48 Br6 Cs3 O12 Sb -","- C24 H48 Br6 Cs3 O12 Sb -","- C96 H192 Br24 Cs12 O48 Sb4 -","4","1","","Morad, Viktoriia; Yakunin, Sergii; Kovalenko, Maksym V.","Supramolecular Approach for Fine-Tuning of the Bright Luminescence from Zero-Dimensional Antimony(III) Halides","ACS Materials Letters","2020","","","845","852","10.1021/acsmaterialslett.0c00174","","x-ray","0.71073","MoKα","K-L~3~","0.0486","0.0423","","","0.0936","0.0971","","","","","","1.106","","","","has coordinates","257090","2020-10-21","18:00:00",""
"4517802","14.0504","0.0003","14.0504","0.0003","21.4176","0.0005","90","","90","","120","","3661.67","0.14","120.01","0.19","120.01","0.19","","","","","","","","8","R -3 :H","-R 3","148","","","","- C29.35 H60.48 Ba Br6 Cs N1.78 O13.78 Sb -","- C29.346 H60.474 Ba Br6 Cs N1.782 O13.782 Sb -","- C88.038 H181.422 Ba3 Br18 Cs3 N5.346 O41.346 Sb3 -","3","0.166667","","Morad, Viktoriia; Yakunin, Sergii; Kovalenko, Maksym V.","Supramolecular Approach for Fine-Tuning of the Bright Luminescence from Zero-Dimensional Antimony(III) Halides","ACS Materials Letters","2020","","","845","852","10.1021/acsmaterialslett.0c00174","","x-ray","0.71073","MoKα","K-L~3~","0.0485","0.0381","","","0.0769","0.0802","","","","","","1.182","","","","has coordinates,has disorder","257090","2020-10-21","18:00:00",""
"4517803","8.9339","0.0002","13.85","0.0004","24.0142","0.0007","80.825","0.002","86.605","0.002","89.767","0.002","2928.18","0.14","200.01","0.12","200.01","0.12","","","","","","","","7","P -1","-P 1","2","","","","- C31.5 H65.5 Ba2 Br10 N2.5 O14.5 Sb2 -","- C31.5 H65.5 Ba2 Br10 N2.5 O14.5 Sb2 -","- C63 H131 Ba4 Br20 N5 O29 Sb4 -","2","1","","Morad, Viktoriia; Yakunin, Sergii; Kovalenko, Maksym V.","Supramolecular Approach for Fine-Tuning of the Bright Luminescence from Zero-Dimensional Antimony(III) Halides","ACS Materials Letters","2020","","","845","852","10.1021/acsmaterialslett.0c00174","","x-ray","0.71073","MoKα","K-L~3~","0.0895","0.0503","","","0.0999","0.116","","","","","","1.023","","","","has coordinates,has disorder","257090","2020-10-21","18:00:00",""
"4517804","10.3871","0.0008","10.5079","0.0007","11.157","0.0009","81.641","0.006","81.407","0.007","83.885","0.006","1186.8","0.16","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C30 H62 Br5 K2 N2 O14 Sb -","- C30 H62 Br4.9998 K2 N2 O14 Sb -","- C30 H62 Br4.9998 K2 N2 O14 Sb -","1","0.5","","Morad, Viktoriia; Yakunin, Sergii; Kovalenko, Maksym V.","Supramolecular Approach for Fine-Tuning of the Bright Luminescence from Zero-Dimensional Antimony(III) Halides","ACS Materials Letters","2020","","","845","852","10.1021/acsmaterialslett.0c00174","","x-ray","0.71073","MoKα","","0.0534","0.0403","","","0.0866","0.0933","","","","","","1.104","","","","has coordinates","257090","2020-10-21","18:00:00",""
"4517805","10.1265","0.0002","15.3814","0.0002","14.2252","0.0002","90","","92.268","0.001","90","","2213.98","0.06","120.02","0.13","120.02","0.13","","","","","","","","7","P 1 21 1","P 2yb","4","","Cesium pentabromoantimonate(III) 1,4,7,10,13,16-hexaoxacyclooctadecane N,N-dimethylformamide","","- C27 H55 Br5 Cs2 N O13 Sb -","- C27 H55 Br5 Cs2 N O13 Sb -","- C54 H110 Br10 Cs4 N2 O26 Sb2 -","2","1","","Morad, Viktoriia; Yakunin, Sergii; Kovalenko, Maksym V.","Supramolecular Approach for Fine-Tuning of the Bright Luminescence from Zero-Dimensional Antimony(III) Halides","ACS Materials Letters","2020","","","845","852","10.1021/acsmaterialslett.0c00174","","x-ray","0.71073","MoKα","K-L~3~","0.0467","0.0416","","","0.0951","0.0978","","","","","","1.047","","","","has coordinates","257090","2020-10-21","18:00:00",""
"4517806","8.2589","0.0017","21.876","0.005","10.255","0.002","90","","94.625","0.004","90","","1846.8","0.7","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 N O3 S -","- C21 H21 N O3 S -","- C84 H84 N4 O12 S4 -","4","2","","Huang, Yinhua; Wang, Lijun; Li, Junbao; Qiu, Huayu; Leung, Pak-Hing","Enantioselective C,P-Palladacycle-Catalyzed Arylation of Imines","ACS Omega","2020","","","","","10.1021/acsomega.0c01124","","","0.71073","MoKα","","0.0708","0.0459","","","0.0947","0.108","","","","","","1.013","","","","has coordinates","253399","2020-10-21","18:00:00",""
"4517807","12.898","0.003","5.9681","0.0011","10.871","0.003","90","","104.634","0.016","90","","809.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 S2 -","- C22 H14 S2 -","- C44 H28 S4 -","2","0.5","","Wu, Xiaosong; Dai, Donghuan; Ling, Yao; Chen, Shuo; Huang, Chongyu; Feng, Shiyu; Huang, Weiguo","Organic Single-Crystal Transistor with Unique Photo Responses and Its Application as Light-Stimulated Synaptic Devices.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c05809","","","0.71073","MoKα","","0.1014","0.0673","","","0.1559","0.1696","","","","","","1.106","","","","has coordinates","253446","2020-10-21","18:00:00",""
"4517808","11.1012","0.0004","11.5775","0.0005","13.3634","0.0004","89.848","0.003","77.424","0.003","78.168","0.003","1639.11","0.11","150.01","0.14","150.01","0.14","","","","","","","","5","P -1","-P 1","2","","Rh(DPEphos)(CH2Ph)","","- C43 H35 O P2 Rh -","- C43 H35 O P2 Rh -","- C86 H70 O2 P4 Rh2 -","2","1","","Ryan, David E.; Andrea, Kori A.; Race, James J.; Boyd, Timothy M.; Lloyd-Jones, Guy C.; Weller, Andrew S.","Amine‒Borane Dehydropolymerization Using Rh-Based Precatalysts: Resting State, Chain Control, and Efficient Polymer Synthesis","ACS Catalysis","2020","","","7443","7448","10.1021/acscatal.0c02211","","x-ray","1.54184","CuKα","","0.042","0.0358","","","0.0861","0.0911","","","","","","1.002","","","","has coordinates,has disorder","257051","2020-10-21","18:00:00",""
"4517809","16.1346","0.0011","10.4118","0.0003","24.8442","0.0014","90","","98.216","0.006","90","","4130.7","0.4","149.99","0.16","149.99","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Rh(Xantphos)(CH2Ph)","","- C51.1 H44.1 O P2 Rh -","- C51.1 H44.1 O P2 Rh -","- C204.4 H176.4 O4 P8 Rh4 -","4","1","","Ryan, David E.; Andrea, Kori A.; Race, James J.; Boyd, Timothy M.; Lloyd-Jones, Guy C.; Weller, Andrew S.","Amine‒Borane Dehydropolymerization Using Rh-Based Precatalysts: Resting State, Chain Control, and Efficient Polymer Synthesis","ACS Catalysis","2020","","","7443","7448","10.1021/acscatal.0c02211","","x-ray","1.54184","CuKα","","0.1372","0.0994","","","0.2612","0.306","","","","","","1.027","","","","has coordinates,has disorder","257051","2020-10-21","18:00:00",""
"4517810","9.532","0.005","11.506","0.006","14.533","0.008","99.097","0.007","90.829","0.007","104.91","0.007","1518.3","1.4","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 Cl0 Mn3 N4 O16 -","- C46 H38 Mn3 N4 O16 -","- C46 H38 Mn3 N4 O16 -","1","0.5","","Hazra, Abhijit; Bej, Sourav; Mondal, Amita; Murmu, Naresh Chandra; Banerjee, Priyabrata","Discerning Detection of Mutagenic Biopollutant TNP from Water and Soil Samples with Transition Metal-Containing Luminescence Metal‒Organic Frameworks","ACS Omega","2020","","","","","10.1021/acsomega.0c01194","","","0.71073","MoKα","","0.1529","0.0679","","","0.1566","0.1816","","","","","","0.812","","","","has coordinates","253449","2020-10-21","18:00:00",""
"4517811","9.6055","0.001","11.5225","0.0012","14.5832","0.0017","98.467","0.004","90.413","0.004","105.395","0.004","1537.4","0.3","124","2","124.59","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 Cd3 N4 O16 -","- C46 H38 Cd3 N4 O16 -","- C46 H38 Cd3 N4 O16 -","1","0.5","","Hazra, Abhijit; Bej, Sourav; Mondal, Amita; Murmu, Naresh Chandra; Banerjee, Priyabrata","Discerning Detection of Mutagenic Biopollutant TNP from Water and Soil Samples with Transition Metal-Containing Luminescence Metal‒Organic Frameworks","ACS Omega","2020","","","","","10.1021/acsomega.0c01194","","","0.71073","MoKα","","0.0636","0.0433","","","0.0934","0.1016","","","","","","1.039","","","","has coordinates","253450","2020-10-21","18:00:00",""
"4517812","8.1842","0.0008","11.5004","0.0015","12.761","0.0013","86.296","0.009","76.709","0.008","69.343","0.01","1093.6","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 F3 N8 O8 -","- C18 H17 F3 N8 O8 -","- C36 H34 F6 N16 O16 -","2","1","","Zhang, Zhuyan; Yu, Nan; Xue, Chang; Gao, Shan; Deng, Zhaopeng; Li, Min; Liu, Cong; Castellot, John; Han, Siying","Potential Anti-Tumor Drug: Co-Crystal 5-Fluorouracil-nicotinamide","ACS Omega","2020","","","","","10.1021/acsomega.9b03574","","","0.71073","MoKα","","0.0782","0.0467","","","0.1072","0.1306","","","","","","1.034","","","","has coordinates","253451","2020-10-21","18:00:00",""
"4517813","9.7228","0.0002","15.7107","0.0004","14.334","0.0003","90","","92.744","0.002","90","","2187.04","0.09","173","0.1","173","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H34 F3 N O3 S Sn -","- C17 H34 F3 N O3 S Sn -","- C68 H136 F12 N4 O12 S4 Sn4 -","4","1","","Sapsford, Joshua S.; Csókás, Dániel; Scott, Daniel J.; Turnell-Ritson, Roland C.; Piascik, Adam D.; Pápai, Imre; Ashley, Andrew E.","Establishing the Role of Triflate Anions in H2 Activation by a Cationic Triorganotin(IV) Lewis Acid","ACS Catalysis","2020","","","7573","7583","10.1021/acscatal.0c02023","","x-ray","0.71073","MoKα","","0.0428","0.0306","","","0.0598","0.0653","","","","","","1.036","","","","has coordinates","257020","2020-10-21","18:00:00",""
"4517814","14.8706","0.0005","15.2083","0.0004","21.9762","0.0006","90","","104.671","0.003","90","","4808","0.3","173","0.14","173","0.14","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Al F36 N O4 Sn -","- C32 H34 Al F36 N O4 Sn -","- C128 H136 Al4 F144 N4 O16 Sn4 -","4","1","","Sapsford, Joshua S.; Csókás, Dániel; Scott, Daniel J.; Turnell-Ritson, Roland C.; Piascik, Adam D.; Pápai, Imre; Ashley, Andrew E.","Establishing the Role of Triflate Anions in H2 Activation by a Cationic Triorganotin(IV) Lewis Acid","ACS Catalysis","2020","","","7573","7583","10.1021/acscatal.0c02023","","x-ray","0.71073","MoKα","","0.1081","0.0701","","","0.1745","0.2016","","","","","","1.029","","","","has coordinates","257020","2020-10-21","18:00:00",""
"4517815","11.735","0.0003","12.2363","0.0003","17.4937","0.0005","104.65","0.002","107.734","0.002","95.338","0.002","2275.06","0.11","100","2","99.98","","","","","","","","","8","P -1","-P 1","2","","","","- C49 H51 Cl2 Fe Ir N4 O4 P2 -","- C49 H51 Cl2 Fe Ir N4 O4 P2 -","- C98 H102 Cl4 Fe2 Ir2 N8 O8 P4 -","2","1","","Blumenberg, Jonas; Kampert, Florian; Hepp, Alexander; Hahn, F. Ekkehardt","Synthesis of IrIII Hydrido Complexes by Oxidative Addition of Halogenated Theophylline and Adenine Derivatives","ACS Omega","2020","","","","","10.1021/acsomega.0c02290","","","0.71073","MoKα","","0.0531","0.0463","","","0.1106","0.1134","","","","","","1.127","","","","has coordinates","253569","2020-10-21","18:00:00",""
"4517816","13.6487","0.0002","19.0356","0.0003","18.3707","0.0003","90","","96.227","0.001","90","","4744.75","0.13","100.02","","100.02","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","IrHCl(TheophyllineI_kO1_kN7_(PPh3)2]_x2CHCl3","","- C45 H39 Cl7 I Ir N4 O2 P2 -","- C45 H39 Cl7 I Ir N4 O2 P2 -","- C180 H156 Cl28 I4 Ir4 N16 O8 P8 -","4","1","","Blumenberg, Jonas; Kampert, Florian; Hepp, Alexander; Hahn, F. Ekkehardt","Synthesis of IrIII Hydrido Complexes by Oxidative Addition of Halogenated Theophylline and Adenine Derivatives","ACS Omega","2020","","","","","10.1021/acsomega.0c02290","","","0.71073","MoKα","","0.0408","0.0379","","","0.1104","0.1132","","","","","","1.0374","","","","has coordinates","253570","2020-10-21","18:00:00",""
"4517817","10.4686","0.0005","18.0388","0.0008","31.6485","0.0013","90","","95.908","0.001","90","","5944.8","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 Br2 Cl13 Ir N10 P2 -","- C50 H42 Br2 Cl13 Ir N10 P2 -","- C200 H168 Br8 Cl52 Ir4 N40 P8 -","4","1","","Blumenberg, Jonas; Kampert, Florian; Hepp, Alexander; Hahn, F. Ekkehardt","Synthesis of IrIII Hydrido Complexes by Oxidative Addition of Halogenated Theophylline and Adenine Derivatives","ACS Omega","2020","","","","","10.1021/acsomega.0c02290","","","0.71073","MoKα","","0.064","0.0383","","","0.0674","0.0737","","","","","","1.009","","","","has coordinates","253571","2020-10-21","18:00:00",""
"4517818","31.4221","0.0009","18.4724","0.0005","18.3313","0.0006","90","","96.855","0.001","90","","10564.2","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53.2 H48.8 Cl2 Ir N4 O2 P2 -","- C53.2 H37 Cl2 Ir N4 O2 P2 -","- C425.6 H296 Cl16 Ir8 N32 O16 P16 -","8","1","","Blumenberg, Jonas; Kampert, Florian; Hepp, Alexander; Hahn, F. Ekkehardt","Synthesis of IrIII Hydrido Complexes by Oxidative Addition of Halogenated Theophylline and Adenine Derivatives","ACS Omega","2020","","","","","10.1021/acsomega.0c02290","","","0.71073","MoKα","","0.0431","0.0356","","","0.0985","0.1044","","","","","","1.02","","","","has coordinates,has disorder","253572","2020-10-21","18:00:00",""
"4517819","14.2092","0.0008","11.5302","0.0014","28.4666","0.0015","90","","92.113","0.004","90","","4660.7","0.7","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C49 H51 Cl Fe I Ir N4 O4 P2 -","- C49 H51 Cl Fe I Ir N4 O4 P2 -","- C196 H204 Cl4 Fe4 I4 Ir4 N16 O16 P8 -","4","1","","Blumenberg, Jonas; Kampert, Florian; Hepp, Alexander; Hahn, F. Ekkehardt","Synthesis of IrIII Hydrido Complexes by Oxidative Addition of Halogenated Theophylline and Adenine Derivatives","ACS Omega","2020","","","","","10.1021/acsomega.0c02290","","","0.71073","MoKα","","0.0349","0.0259","","","0.0523","0.0551","","","","","","1.043","","","","has coordinates","253573","2020-10-21","18:00:00",""
"4517820","8.1231","0.0003","12.6785","0.0007","15.4949","0.0007","113.285","0.005","97.678","0.004","94.858","0.004","1436.01","0.13","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H10 B F15 N2 O -","- C34 H10 B F15 N2 O -","- C68 H20 B2 F30 N4 O2 -","2","1","","Lu, Bo; Fang, Xiaoyu; Yan, Dongpeng","Luminescent Polymorphic Co-crystals: A Promising Way to the Diversity of Molecular Assembly, Fluorescence Polarization, and Optical Waveguide.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c06794","","x-ray","1.54184","CuKα","","0.041","0.0356","","","0.0896","0.0946","","","","","","1.022","","","","has coordinates","253620","2020-10-21","18:00:00",""
"4517821","11.10279","0.00015","20.482","0.0002","12.30312","0.00015","90","","102.082","0.0013","90","","2735.84","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H11 B F15 N O -","- C31 H11 B F15 N O -","- C124 H44 B4 F60 N4 O4 -","4","1","","Lu, Bo; Fang, Xiaoyu; Yan, Dongpeng","Luminescent Polymorphic Co-crystals: A Promising Way to the Diversity of Molecular Assembly, Fluorescence Polarization, and Optical Waveguide.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c06794","","x-ray","1.54184","CuKα","","0.0387","0.0366","","","0.0953","0.0967","","","","","","1.09","","","","has coordinates","253621","2020-10-21","18:00:00",""
"4517822","20.6141","0.0017","18.621","0.002","6.9571","0.0007","90","","90","","90","","2670.5","0.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H11 B F15 N O -","- C31 H11 B F15 N O -","- C124 H44 B4 F60 N4 O4 -","4","0.5","","Lu, Bo; Fang, Xiaoyu; Yan, Dongpeng","Luminescent Polymorphic Co-crystals: A Promising Way to the Diversity of Molecular Assembly, Fluorescence Polarization, and Optical Waveguide.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c06794","","","0.71073","MoKα","","0.1115","0.1003","","","0.2282","0.2347","","","","","","1.063","","","","has coordinates","253622","2020-10-21","18:00:00",""
"4517823","24.7131","0.0011","7.4256","0.0005","34.3572","0.0017","90","","90","","90","","6304.9","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H12 B F15 N2 O2 -","- C34 H12 B F15 N2 O2 -","- C272 H96 B8 F120 N16 O16 -","8","1","","Lu, Bo; Fang, Xiaoyu; Yan, Dongpeng","Luminescent Polymorphic Co-crystals: A Promising Way to the Diversity of Molecular Assembly, Fluorescence Polarization, and Optical Waveguide.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c06794","","x-ray","0.71073","MoKα","","0.1729","0.0748","","","0.1751","0.2299","","","","","","1.024","","","","has coordinates","253623","2020-10-21","18:00:00",""
"4517824","9.7943","0.0011","10.4746","0.0013","13.0589","0.0018","97.585","0.004","90.245","0.004","114.797","0.003","1202.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H56 N18 O20 -","- C28 H56 N18 O20 -","- C28 H56 N18 O20 -","1","0.5","","Yu, Qiong; Yang, Hongwei; Imler, Gregory H.; Parrish, Damon A.; Cheng, Guangbin; Shreeve, Jean'ne M.","Derivatives of 3,6-Bis(3-aminofurazan-4-ylamino)-1,2,4,5-tetrazine: Excellent Energetic Properties with Lower Sensitivities.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c08526","","","0.71073","MoKα","","0.1334","0.0473","","","0.079","0.0996","","","","","","1.015","","","","has coordinates","253624","2020-10-21","18:00:00",""
"4517825","7.6145","0.0003","10.1856","0.0004","12.0493","0.0005","106.642","0.001","100.474","0.001","111.18","0.001","791.19","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H34 N16 O10 S4 -","- C14 H34 N16 O10 S4 -","- C14 H34 N16 O10 S4 -","1","0.5","","Yu, Qiong; Yang, Hongwei; Imler, Gregory H.; Parrish, Damon A.; Cheng, Guangbin; Shreeve, Jean'ne M.","Derivatives of 3,6-Bis(3-aminofurazan-4-ylamino)-1,2,4,5-tetrazine: Excellent Energetic Properties with Lower Sensitivities.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c08526","","","0.71073","MoKα","","0.0876","0.0469","","","0.1121","0.1327","","","","","","1.013","","","","has coordinates,has disorder","253625","2020-10-21","18:00:00",""
"4517826","6.0246","0.0002","15.4056","0.0004","7.6501","0.0002","90","","111.344","0.002","90","","661.33","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N14 O6 -","- C6 H4 N14 O6 -","- C12 H8 N28 O12 -","2","0.5","","Yu, Qiong; Yang, Hongwei; Imler, Gregory H.; Parrish, Damon A.; Cheng, Guangbin; Shreeve, Jean'ne M.","Derivatives of 3,6-Bis(3-aminofurazan-4-ylamino)-1,2,4,5-tetrazine: Excellent Energetic Properties with Lower Sensitivities.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c08526","","","1.54178","CuKα","","0.0608","0.0459","","","0.1227","0.1339","","","","","","1.049","","","","has coordinates","253626","2020-10-21","18:00:00",""
"4517827","6.2712","0.0012","8.2089","0.0016","15.652","0.003","86.144","0.006","88.008","0.006","73.919","0.006","772.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H5 Cl2 N10 O9 -","- C6 H5 Cl2 N10 O9 -","- C12 H10 Cl4 N20 O18 -","2","1","","Yu, Qiong; Yang, Hongwei; Imler, Gregory H.; Parrish, Damon A.; Cheng, Guangbin; Shreeve, Jean'ne M.","Derivatives of 3,6-Bis(3-aminofurazan-4-ylamino)-1,2,4,5-tetrazine: Excellent Energetic Properties with Lower Sensitivities.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c08526","","","0.71073","MoKα","","0.1134","0.076","","","0.1939","0.2164","","","","","","1.044","","","","has coordinates,has disorder","253627","2020-10-21","18:00:00",""
"4517828","15.327","0.003","31.192","0.005","13.692","0.003","90","","94.911","0.003","90","","6522","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H20 K12 N10 O0 Ru2 Sn18 -","- C10 H20 K12 N10 Ru2 Sn18 -","- C40 H80 K48 N40 Ru8 Sn72 -","4","0.5","","Wang, Yanru; Zhang, Chao; Wang, Xiuyi; Guo, Jinqiu; Sun, Zhong-Ming; Zhang, Hongbo","Site-Selective CO2 Reduction over Highly Dispersed Ru-SnOx Sites Derived from a [Ru@Sn9]6‒ Zintl Cluster","ACS Catalysis","2020","","","7808","","10.1021/acscatal.0c01253","","","0.71073","MoKα","","0.0531","0.0343","","","0.0942","0.1065","","","","","","1.086","","","","has coordinates","253628","2020-10-21","18:00:00",""
"4517829","7.6989","0.0002","5.6085","0.0002","13.528","0.0004","90","","92.652","0.003","90","","583.5","0.03","172.99","0.1","172.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 N O -","- C15 H13 N O -","- C30 H26 N2 O2 -","2","1","","Mao, Ying; Wang, Zehua; Wang, Gang; Zhao, Ran; Kan, Linglong; Pan, Xiaoguang; Liu, Lei","Redox Deracemization of Tertiary Stereocenters Adjacent to an Electron-Withdrawing Group","ACS Catalysis","2020","","","7785","7791","10.1021/acscatal.0c02486","","x-ray","1.54184","CuKα","","0.032","0.0307","","","0.0827","0.0843","","","","","","1.07","","","","has coordinates","256987","2020-10-21","18:00:00",""
"4517830","14.1589","0.0009","20.1568","0.0013","10.773","0.0006","90","","96.224","0.003","90","","3056.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H88 Fe2 N2 Si2 -","- C72 H88 Fe2 N2 Si2 -","- C144 H176 Fe4 N4 Si4 -","2","0.5","","Witzke, Ryan J.; Hait, Diptarka; Chakarawet, Khetpakorn; Head-Gordon, Martin; Tilley, T. Don","Bimetallic Mechanism for Alkyne Cyclotrimerization with a Two-Coordinate Fe Precatalyst","ACS Catalysis","2020","","","7800","","10.1021/acscatal.0c01828","","","0.71073","MoKα","","0.0912","0.0689","","","0.164","0.1755","","","","","","1.064","","","","has coordinates","253630","2020-10-21","18:00:00",""
"4517831","12.131","0.0007","12.86","0.0007","18.9741","0.0011","89.775","0.001","87.91","0.001","85.741","0.001","2949.9","0.3","100","2","99.95","","","","","","","","","6","P -1","-P 1","2","RJW_2_139","","","- C62 H82 Fe2 N2 O Si2 -","- C62 H82 Fe2 N2 O Si2 -","- C124 H164 Fe4 N4 O2 Si4 -","2","1","","Witzke, Ryan J.; Hait, Diptarka; Chakarawet, Khetpakorn; Head-Gordon, Martin; Tilley, T. Don","Bimetallic Mechanism for Alkyne Cyclotrimerization with a Two-Coordinate Fe Precatalyst","ACS Catalysis","2020","","","7800","","10.1021/acscatal.0c01828","","","0.71073","MoKα","","0.0416","0.0378","","","0.0987","0.1019","","","","","","1.075","","","","has coordinates","253631","2020-10-21","18:00:00",""
"4517832","22.1414","0.0016","11.2865","0.0009","17.5402","0.0014","90","","90","","90","","4383.3","0.6","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H36 Fe N Si -","- C21 H36 Fe N Si -","- C168 H288 Fe8 N8 Si8 -","8","1","","Witzke, Ryan J.; Hait, Diptarka; Chakarawet, Khetpakorn; Head-Gordon, Martin; Tilley, T. Don","Bimetallic Mechanism for Alkyne Cyclotrimerization with a Two-Coordinate Fe Precatalyst","ACS Catalysis","2020","","","7800","","10.1021/acscatal.0c01828","","","0.71073","MoKα","","0.1522","0.1452","","","0.3275","0.3304","","","","","","1.294","","","","has coordinates","253632","2020-10-21","18:00:00",""
"4517833","7.8459","0.0009","9.8098","0.0012","11.0823","0.0012","90","","101.069","0.003","90","","837.1","0.17","299","2","299.05","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H21 I N2 O2 -","- C15 H21 I N2 O2 -","- C30 H42 I2 N4 O4 -","2","1","","Chadeayne, Andrew R.; Pham, Duyen N. K.; Reid, Brian G.; Golen, James A.; Manke, David R.","Active Metabolite of Aeruginascin (4-Hydroxy-<i>N</i>,<i>N</i>,<i>N</i>-trimethyltryptamine): Synthesis, Structure, and Serotonergic Binding Affinity.","ACS omega","2020","5","27","16940","16943","10.1021/acsomega.0c02208","","","0.71073","MoKα","","0.0396","0.03","","","0.0548","0.0583","","","","","","1.064","","","","has coordinates","254767","2020-10-21","18:00:00",""
"4517834","11.3057","0.0009","11.237","0.001","12.7785","0.001","90","","113.087","0.002","90","","1493.4","0.2","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 I N2 O -","- C13 H19 I N2 O -","- C52 H76 I4 N8 O4 -","4","1","","Chadeayne, Andrew R.; Pham, Duyen N. K.; Reid, Brian G.; Golen, James A.; Manke, David R.","Active Metabolite of Aeruginascin (4-Hydroxy-<i>N</i>,<i>N</i>,<i>N</i>-trimethyltryptamine): Synthesis, Structure, and Serotonergic Binding Affinity.","ACS omega","2020","5","27","16940","16943","10.1021/acsomega.0c02208","","","0.71073","MoKα","","0.0574","0.0368","","","0.0797","0.0885","","","","","","1.073","","","","has coordinates","254767","2020-10-21","18:00:00",""
"4517835","12.0312","0.0002","17.5337","0.0002","17.5386","0.0002","90","","90","","90","","3699.79","0.09","150.01","0.1","150.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H50 B12 N12 Ni O -","- C24 H50 B12 N12 Ni O -","- C96 H200 B48 N48 Ni4 O4 -","4","1","","Zhao, Xue; Yang, Ziqiong; Kuklin, Artem V.; Baryshnikov, Glib V.; Agren, Hans; Liu, Wenjing; Zhang, Haibo; Zhou, Xiaohai","BCN Encapsulated Nano-nickel Synergistically Promotes Ambient Electrochemical Dinitrogen Reduction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c06649","","x-ray","1.54184","CuKα","","0.0737","0.0726","","","0.1847","0.1873","","","","","","1.078","","","","has coordinates,has disorder","254027","2020-10-21","18:00:00",""
"4517836","8.656","0.0005","14.5247","0.001","14.4235","0.001","90","","95.387","0.003","90","","1805.4","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cp*Ir(2pyridyl-sulfonamide)nitrate","","","- C15 H20 Ir N3 O5 S -","- C15 H20 Ir N3 O5 S -","- C60 H80 Ir4 N12 O20 S4 -","4","1","","Tensi, Leonardo; Macchioni, Alceo","Extremely Fast NADH-Regeneration Using Phosphonic Acid as Hydride Source and Iridium-pyridine-2-sulfonamidate Catalysts","ACS Catalysis","2020","","","7945","","10.1021/acscatal.0c02261","","","0.71073","Mo-Ka","","0.0223","0.0199","","","0.0488","0.0502","","","","","","1.029","","","","has coordinates","254028","2020-10-21","18:00:00",""
"4517837","15.342","0.007","6.244","0.006","10.989","0.007","90","","100.86","0.01","90","","1033.8","1.3","298","","298","","","","101.325","","","","","2","C 1 2/c 1","-C 2yc","15","","Zinc Hydroxide Dihydrate","","- O12 Zn5 -","- H14 O12 Zn5 -","- H56 O48 Zn20 -","4","0.5","","Gordeeva, Alisa; Hsu, Ying-Jui; Jenei, Istvan Z.; Brant Carvalho, Paulo H. B.; Simak, Sergei I.; Andersson, Ove; Häussermann, Ulrich","Layered Zinc Hydroxide Dihydrate, Zn<sub>5</sub>(OH)<sub>10</sub>·2H<sub>2</sub>O, from Hydrothermal Conversion of ε-Zn(OH)<sub>2</sub> at Gigapascal Pressures and its Transformation to Nanocrystalline ZnO.","ACS omega","2020","5","28","17617","17627","10.1021/acsomega.0c02075","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.030127","3.2013","","","","","","","has coordinates","254766","2020-10-21","18:00:00",""
"4517838","18.3983","0.0005","13.9556","0.0003","20.8118","0.0006","90","","109.351","0.003","90","","5041.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H46 O P2 Pd -","- C61 H46 O P2 Pd -","- C244 H184 O4 P8 Pd4 -","4","1","","Xiong, Wenfang; Shi, Fuxing; Cheng, Ruixiang; Zhu, Baiyao; Wang, Lu; Chen, Pengquan; Lou, Hongming; Wu, Wanqing; Qi, Chaorong; Lei, Ming; Jiang, Huanfeng","Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide","ACS Catalysis","2020","","","7968","","10.1021/acscatal.0c01687","","x-ray","1.54184","CuKα","","0.0655","0.044","","","0.099","0.111","","","","","","0.989","","","","has coordinates","254118","2020-10-21","18:00:00",""
"4517839","10.0446","0.0007","12.2899","0.0007","17.0614","0.0009","76.398","0.005","74.831","0.005","88.404","0.005","1974.5","0.2","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C23 H28 O2 -","- C23 H28 O2 -","- C92 H112 O8 -","4","2","","Xiong, Wenfang; Shi, Fuxing; Cheng, Ruixiang; Zhu, Baiyao; Wang, Lu; Chen, Pengquan; Lou, Hongming; Wu, Wanqing; Qi, Chaorong; Lei, Ming; Jiang, Huanfeng","Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide","ACS Catalysis","2020","","","7968","","10.1021/acscatal.0c01687","","x-ray","0.71073","MoKα","","0.0687","0.0528","","","0.1257","0.1392","","","","","","1.042","","","","has coordinates,has disorder","254119","2020-10-21","18:00:00",""
"4517840","7.6102","0.001","5.5255","0.0006","14.639","0.002","90","","90","","90","","615.57","0.13","100.01","0.1","100.01","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","Indole","","- C8 H7 N -","- C8 H7 N -","- C32 H28 N4 -","4","1","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","0.71073","MoKα","","0.0561","0.0494","","","0.1208","0.1272","","","","","","1.107","","","","has coordinates,has disorder","254764","2020-10-21","18:00:00",""
"4517841","9.3176","0.0007","5.2878","0.0004","14.2479","0.0013","90","","90","","90","","701.99","0.1","100","0.1","100","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","7-Methylindole","","- C9 H9 N -","- C9 H9 N -","- C36 H36 N4 -","4","1","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","0.71073","MoKα","","0.0566","0.0389","","","0.0784","0.089","","","","","","1.074","","","","has coordinates,has disorder","254764","2020-10-21","18:00:00",""
"4517842","8.6942","0.0006","5.3788","0.0004","31.905","0.002","90","","95.078","0.006","90","","1486.16","0.18","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","1H-indole-2-methanol","","- C9 H9 N O -","- C9 H9 N O -","- C72 H72 N8 O8 -","8","2","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","1.54184","CuKα","","0.0923","0.0556","","","0.1307","0.1569","","","","","","1.027","","","","has coordinates,has disorder","255799","2020-10-21","18:00:00",""
"4517843","17.5632","0.0013","15.4812","0.0011","8.2466","0.0005","90","","90","","90","","2242.2","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","Indole-3-carbinol","","- C9 H9 N O -","- C9 H9 N O -","- C108 H108 N12 O12 -","12","3","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","0.71073","MoKα","","0.0991","0.0639","","","0.144","0.168","","","","","","1.0376","","","","has coordinates","254764","2020-10-21","18:00:00",""
"4517844","3.87758","0.00014","7.6453","0.0003","23.7995","0.0009","90","","90","","90","","705.54","0.05","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H6 N2 -","- C9 H6 N2 -","- C36 H24 N8 -","4","1","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","1.54184","CuKα","","0.0353","0.0326","","","0.0768","0.0789","","","","","","1.11","","","","has coordinates","254764","2020-10-21","18:00:00",""
"4517845","3.75839","0.00009","12.0667","0.0003","15.8045","0.0004","90","","90.73","0.002","90","","716.7","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Nitroindole","","- C8 H6 N2 O2 -","- C8 H6 N2 O2 -","- C32 H24 N8 O8 -","4","1","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","0.71073","MoKα","","0.0422","0.038","","","0.1058","0.1098","","","","","","1.044","","","","has coordinates","254764","2020-10-21","18:00:00",""
"4517846","8.452","0.0003","10.5415","0.0004","7.3742","0.0003","90","","90","","90","","657.02","0.04","100","2","100","0.01","","","","","","","","3","P n a 21","P 2c -2n","33","","5-aminoindole","","- C8 H8 N2 -","- C8 H8 N2 -","- C32 H32 N8 -","4","1","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","0.71073","MoKα","","0.036","0.034","","","0.089","0.0911","","","","","","1.043","","","","has coordinates","254764","2020-10-21","18:00:00",""
"4517847","4.163","0.007","14.96","0.02","19.62","0.03","90","","90","","90","","1222","3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxy-3-(thiophen-2-yl)prop-2-en-1-one","","- C12 H12 N2 O2 S -","- C12 H13 N2 O2 S -","- C48 H52 N8 O8 S4 -","4","1","","Tighadouini, Said; Radi, Smaail; El Massaoudi, Mohamed; Lakbaibi, Zouhair; Ferbinteanu, Marilena; Garcia, Yann","Efficient and Environmentally Friendly Adsorbent Based on β-Ketoenol-Pyrazole-Thiophene for Heavy-Metal Ion Removal from Aquatic Medium: A Combined Experimental and Theoretical Study.","ACS omega","2020","5","28","17324","17336","10.1021/acsomega.0c01616","","x-ray","0.71075","MoKα","","0.369","0.1786","","","0.4108","0.5506","","","","","","1.0011","","","","has coordinates","254765","2020-10-21","18:00:00",""
"4517848","9.3968","0.0005","9.484","0.0005","11.9025","0.0006","103.496","0.005","93.933","0.004","90.76","0.004","1028.55","0.1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 N2 O2 Pd -","- C25 H24 N2 O2 Pd -","- C50 H48 N4 O4 Pd2 -","2","1","","Li, Ya; Zhang, Pan; Liu, Yue-Jin; Yu, Zhi-Xiang; Shi, Bing-Feng","Remote γ-C(sp3)‒H Alkylation of Aliphatic Carboxamides via an Unexpected Regiodetermining Pd Migration Process: Reaction Development and Mechanistic Study","ACS Catalysis","2020","","","8212","8222","10.1021/acscatal.0c02025","","","0.71073","MoKα","","0.0556","0.0407","","","0.0642","0.0726","","","","","","1.072","","","","has coordinates","257025","2020-10-21","18:00:00",""
"4517849","14.1106","0.001","6.7889","0.0005","20.7976","0.0017","90","","92.295","0.007","90","","1990.7","0.3","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 N4 O2 Pd -","- C19 H24 N4 O2 Pd -","- C76 H96 N16 O8 Pd4 -","4","1","","Li, Ya; Zhang, Pan; Liu, Yue-Jin; Yu, Zhi-Xiang; Shi, Bing-Feng","Remote γ-C(sp3)‒H Alkylation of Aliphatic Carboxamides via an Unexpected Regiodetermining Pd Migration Process: Reaction Development and Mechanistic Study","ACS Catalysis","2020","","","8212","8222","10.1021/acscatal.0c02025","","","0.71073","MoKα","","0.0572","0.0383","","","0.0777","0.0893","","","","","","1.058","","","","has coordinates","257025","2020-10-21","18:00:00",""
"4517850","6.53867","0.00007","6.85703","0.00006","35.6756","0.0003","90","","90","","90","","1599.55","0.03","140.01","0.13","140.01","0.13","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Wang, Shou-Guo; Cramer, Nicolai","Asymmetric CpxRh(III)-Catalyzed Acrylic Acid C‒H Functionalization with Allenes Provides Chiral γ-Lactones","ACS Catalysis","2020","","","8231","8236","10.1021/acscatal.0c02430","","x-ray","1.54184","CuKα","","0.0264","0.0256","","","0.0655","0.0663","","","","","","1.055","","","","has coordinates","257045","2020-10-21","18:00:00",""
"4517851","9.2261","0.0003","9.7377","0.0004","22.6198","0.0009","90","","90","","90","","2032.19","0.13","170","2","169.98","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 F N2 O -","- C25 H23 F N2 O -","- C100 H92 F4 N8 O4 -","4","1","","Shen, Yang; Shen, Meng-Lan; Wang, Pu-Sheng","Light-Mediated Chiral Phosphate Catalysis for Asymmetric Dicarbofunctionalization of Enamides","ACS Catalysis","2020","","","8247","8253","10.1021/acscatal.0c02660","","","1.34139","GaKα","","0.0427","0.0386","","","0.0925","0.096","","","","","","1.064","","","","has coordinates","257044","2020-10-21","18:00:00",""
"4517852","8.8821","0.0006","8.8821","0.0006","6.2698","0.0006","90","","90","","90","","494.64","0.07","200","2","200","2","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","","- C2 I6 N4 Sn2 -","- C2 I6 N4 Sn2 -","- C2 I6 N4 Sn2 -","1","0.0625","","Kahmann, Simon; Nazarenko, Olga; Shao, Shuyan; Hordiichuk, Oleh; Kepenekian, Mikaël; Even, Jacky; Kovalenko, Maksym V.; Blake, Graeme R.; Loi, Maria A.","Negative Thermal Quenching in FASnI3 Perovskite Single Crystals and Thin Films","ACS Energy Letters","2020","","","2512","2519","10.1021/acsenergylett.0c01166","","","0.71073","MoKα","","0.0442","0.042","","","0.1225","0.1233","","","","","","1.474","","","","has coordinates","257083","2020-10-21","18:00:00",""
"4517853","8.8379","0.0011","8.8379","0.0011","12.4066","0.0017","90","","90","","90","","969.1","0.2","100","2","100","2","","","","","","","","5","P 4 b m","P 4 -2ab","100","","","","- C H5 I3 N2 Sn -","- C H5 I3 N2 Sn -","- C4 H20 I12 N8 Sn4 -","4","0.5","","Kahmann, Simon; Nazarenko, Olga; Shao, Shuyan; Hordiichuk, Oleh; Kepenekian, Mikaël; Even, Jacky; Kovalenko, Maksym V.; Blake, Graeme R.; Loi, Maria A.","Negative Thermal Quenching in FASnI3 Perovskite Single Crystals and Thin Films","ACS Energy Letters","2020","","","2512","2519","10.1021/acsenergylett.0c01166","","","0.71073","MoKα","","0.0449","0.0429","","","0.1325","0.1344","","","","","","1.075","","","","has coordinates","257083","2020-10-21","18:00:00",""
"4517854","6.3074","0.0015","6.3074","0.0015","6.3074","0.0015","90","","90","","90","","250.93","0.1","298","2","298","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- I3 Mn Sn -","- I3 Mn Sn -","- I3 Mn Sn -","1","0.0208333","","Kahmann, Simon; Nazarenko, Olga; Shao, Shuyan; Hordiichuk, Oleh; Kepenekian, Mikaël; Even, Jacky; Kovalenko, Maksym V.; Blake, Graeme R.; Loi, Maria A.","Negative Thermal Quenching in FASnI3 Perovskite Single Crystals and Thin Films","ACS Energy Letters","2020","","","2512","2519","10.1021/acsenergylett.0c01166","","","0.71073","MoKα","","0.0434","0.0394","","","0.0758","0.0775","","","","","","1.251","","","","has coordinates","257083","2020-10-21","18:00:00",""
"4517855","6.3075","0.0003","19.6917","0.0011","12.4837","0.0007","90","","90","","90","","1550.54","0.14","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Saha, Urmila; Das, Bhriguram; Dolai, Malay; Butcher, Ray J.; Suresh Kumar, Gopinatha","Adaptable DNA-Interactive Probe Proficient at Selective Turn-On Sensing for Al3+: Insight from the Crystal Structure, Photophysical Studies, and Molecular Logic Gate","ACS Omega","2020","5","29","18411","18423","10.1021/acsomega.0c02226","","","0.71073","MoKα","","0.0665","0.0552","","","0.127","0.1335","","","","","","1.049","","","","has coordinates","257062","2020-10-21","18:00:00",""
"4517856","12.9952","0.0018","12.9952","0.0018","10.177","0.002","90","","90","","120","","1488.4","0.4","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C1.77 H3.53 N0.22 Na0.45 O8.34 Si4 -","- C1.768 H3.536 N0.221 Na0.446 O8.344 Si4 -","- C10.608 H21.216 N1.326 Na2.676 O50.064 Si24 -","6","1","","Lee, Hwajun; Choi, Wanuk; Choi, Hyun June; Hong, Suk Bong","PST-33: A Four-Layer ABC-6 Zeolite with the Stacking Sequence AABC","ACS Materials Letters","2020","2","8","981","985","10.1021/acsmaterialslett.0c00232","","","0.7","","","0.1202","0.1026","","","0.2975","0.3185","","","","","","1.074","","","","has coordinates,has disorder","257087","2020-10-21","18:00:00",""
"4517857","19.9143","0.001","10.6749","0.0006","20.1936","0.0009","90","","92.357","0.004","90","","4289.2","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 F N3 O2 S -","- C26 H20 F N3 O2 S -","- C208 H160 F8 N24 O16 S8 -","8","1","","Hu, Xinwei; Shao, Youxiang; Xie, Haisheng; Chen, Xin; Chen, Fengjuan; Ke, Zhuofeng; Jiang, Huanfeng; Zeng, Wei","Direct Carbon‒Carbon σ Bond Amination of Unstrained Arylalkylketones","ACS Catalysis","2020","","","8402","8408","10.1021/acscatal.0c02683","","x-ray","0.71073","MoKα","","0.0614","0.0489","","","0.1163","0.1254","","","","","","1.039","","","","has coordinates","257031","2020-10-21","18:00:00",""
"4517858","19.925","0.004","10.806","0.002","20.27","0.004","90","","92.45","0.03","90","","4360.3","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 N3 O2 S -","- C26 H21 N3 O2 S -","- C208 H168 N24 O16 S8 -","8","1","","Hu, Xinwei; Shao, Youxiang; Xie, Haisheng; Chen, Xin; Chen, Fengjuan; Ke, Zhuofeng; Jiang, Huanfeng; Zeng, Wei","Direct Carbon‒Carbon σ Bond Amination of Unstrained Arylalkylketones","ACS Catalysis","2020","","","8402","8408","10.1021/acscatal.0c02683","","","0.71073","MoKα","","0.0525","0.0471","","","0.1234","0.1295","","","","","","1.053","","","","has coordinates","257031","2020-10-21","18:00:00",""
"4517859","24.012","0.0018","14.093","0.0009","16.6128","0.0016","90","","107.838","0.01","90","","5351.5","0.8","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C72 H84 K3 O60 -","- C72 H84 K3 O60 -","- C144 H168 K6 O120 -","2","0.5","","Li, Han; Shi, Linfan; Li, Chao; Fu, Xiong; Huang, Qiang; Zhang, Bin","Metal-Organic Framework Based on α-Cyclodextrin Gives High Ethylene Gas Adsorption Capacity and Storage Stability.","ACS applied materials & interfaces","2020","12","30","34095","34104","10.1021/acsami.0c08594","","x-ray","1.54184","CuKα","","0.1175","0.077","","","0.2018","0.2293","","","","","","0.938","","","","has coordinates","256984","2020-10-21","18:00:00",""
"4517860","11.5709","0.0001","15.9742","0.0001","26.5954","0.0001","90","","90","","90","","4915.78","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H57 Na O31 -","- C36 H57 Na O31 -","- C144 H228 Na4 O124 -","4","1","","Li, Han; Shi, Linfan; Li, Chao; Fu, Xiong; Huang, Qiang; Zhang, Bin","Metal-Organic Framework Based on α-Cyclodextrin Gives High Ethylene Gas Adsorption Capacity and Storage Stability.","ACS applied materials & interfaces","2020","12","30","34095","34104","10.1021/acsami.0c08594","","","1.54178","CuKα","","0.047","0.0468","","","0.1386","0.1388","","","","","","1.097","","","","has coordinates","256984","2020-10-21","18:00:00",""
"4517861","9.491","0.0004","9.491","0.0004","27.7364","0.0011","90","","90","","90","","2498.47","0.18","150","2","150","2","","","","","","","","4","P 41","P 4w","76","","","","- C26 H40 Hf N2 -","- C26 H40 Hf N2 -","- C104 H160 Hf4 N8 -","4","1","","Wallace, Mark A.; Zavalij, Peter Y.; Sita, Lawrence R.","Enantioselective Living Coordinative Chain Transfer Polymerization: Production of Optically Active End-Group-Functionalized (+)- or (−)-Poly(methylene-1,3-cyclopentane) via a Homochiral C1-Symmetric Caproamidinate Hafnium Initiator","ACS Catalysis","2020","","","8496","8502","10.1021/acscatal.0c02104","","","0.71073","MoKα","","0.0199","0.0181","","","0.0426","0.0429","","","","","","1.07","","","","has coordinates","257058","2020-10-21","18:00:00",""
"4517862","9.4877","0.0006","9.4877","0.0006","27.766","0.002","90","","90","","90","","2499.4","0.3","150","2","150","2","","","","","","","","4","P 43","P 4cw","78","","","","- C26 H40 Hf N2 -","- C26 H40 Hf N2 -","- C104 H160 Hf4 N8 -","4","1","","Wallace, Mark A.; Zavalij, Peter Y.; Sita, Lawrence R.","Enantioselective Living Coordinative Chain Transfer Polymerization: Production of Optically Active End-Group-Functionalized (+)- or (−)-Poly(methylene-1,3-cyclopentane) via a Homochiral C1-Symmetric Caproamidinate Hafnium Initiator","ACS Catalysis","2020","","","8496","8502","10.1021/acscatal.0c02104","","","0.71073","MoKα","","0.0186","0.0165","","","0.0375","0.0378","","","","","","1.063","","","","has coordinates","257058","2020-10-21","18:00:00",""
"4517863","19.127","0.005","8.086","0.002","11.449","0.003","90","","102.525","0.004","90","","1728.6","0.8","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 N2 Si4 -","- C34 H44 N2 Si4 -","- C68 H88 N4 Si8 -","2","0.5","","Feng, Siyang; Zhou, Zhikuan; Xiang, Xiaoshuang; Feng, Hongjie; Qu, Zhirong; Lu, Hua","Oligosilanyl-Bridged Biscarbazoles: Structure, Synthesis, and Spectroscopic Properties","ACS Omega","2020","","","","","10.1021/acsomega.0c02559","","","0.71073","MoKα","","0.056","0.039","","","0.1058","0.1189","","","","","","1.023","","","","has coordinates","254433","2020-10-21","18:00:00",""
"4517864","12.2428","0.0012","13.0239","0.0012","15.2844","0.0015","68.417","0.002","84.32","0.002","63.486","0.002","2021.6","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 N2 Si2 -","- C30 H32 N2 Si2 -","- C90 H96 N6 Si6 -","3","1.5","","Feng, Siyang; Zhou, Zhikuan; Xiang, Xiaoshuang; Feng, Hongjie; Qu, Zhirong; Lu, Hua","Oligosilanyl-Bridged Biscarbazoles: Structure, Synthesis, and Spectroscopic Properties","ACS Omega","2020","","","","","10.1021/acsomega.0c02559","","","0.71073","MoKα","","0.0927","0.054","","","0.1291","0.1511","","","","","","1.02","","","","has coordinates","254434","2020-10-21","18:00:00",""
"4517865","12.2392","0.0012","12.9941","0.0013","16.2298","0.0017","67.242","0.002","89.579","0.002","77.246","0.002","2312.7","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N2 Si -","- C28 H26 N2 Si -","- C112 H104 N8 Si4 -","4","2","","Feng, Siyang; Zhou, Zhikuan; Xiang, Xiaoshuang; Feng, Hongjie; Qu, Zhirong; Lu, Hua","Oligosilanyl-Bridged Biscarbazoles: Structure, Synthesis, and Spectroscopic Properties","ACS Omega","2020","","","","","10.1021/acsomega.0c02559","","","0.71073","MoKα","","0.0859","0.0497","","","0.1194","0.1387","","","","","","1.027","","","","has coordinates","254435","2020-10-21","18:00:00",""
"4517866","22.0243","0.0008","11.7091","0.0004","20.0877","0.0007","90","","105.69","0.001","90","","4987.3","0.3","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53.44 H50.88 N4 O8.72 Zn -","- C53.436 H50.872 N4 O8.718 Zn -","- C213.744 H203.488 N16 O34.872 Zn4 -","4","1","","Xu, Yuan; Tao, Chen-Lei; Yu, Maoxing; Xiong, Yi; Ouyang, Ya-Ni; Liu, Xun-Gao; Zhao, Zujin","Tetraphenylethene-Based Luminescent Metal-Organic Framework for Effective Differentiation of <i>cis/trans</i> Isomers.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c10702","","","0.71073","MoKα","","0.1135","0.0734","","","0.186","0.2142","","","","","","1.188","","","","has coordinates,has disorder","254511","2020-10-21","18:00:00",""
"4517867","22.0754","0.0008","11.5498","0.0004","20.1047","0.0007","90","","107.846","0.001","90","","4879.4","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H37 N3 O6 Zn -","- C47 H37 N3 O6 Zn -","- C188 H148 N12 O24 Zn4 -","4","1","","Xu, Yuan; Tao, Chen-Lei; Yu, Maoxing; Xiong, Yi; Ouyang, Ya-Ni; Liu, Xun-Gao; Zhao, Zujin","Tetraphenylethene-Based Luminescent Metal-Organic Framework for Effective Differentiation of <i>cis/trans</i> Isomers.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c10702","","","0.71073","MoKα","","0.0722","0.0676","","","0.1913","0.1945","","","","","","1.069","","","","has coordinates,has disorder","254512","2020-10-21","18:00:00",""
"4517868","12.7623","0.00006","28.938","0.00009","5.3229","0.00004","90","","90","","90","","1965.83","0.018","100","","100","","","","","","","","synthesised","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 N O3 -","- C21 H33 N O3 -","- C84 H132 N4 O12 -","4","1","","Chen, Jun; Boott, Charlotte E.; Lewis, Lev; Siu, Andrew; Al-Debasi, Renad; Carta, Veronica; Fogh, Amanda A.; Kurek, Daniel Z.; Wang, Lilo; MacLachlan, Mark J.; Hum, Gabriel","Amino Acid-Containing Phase-Selective Organogelators: A Water-Based Delivery System for Oil Spill Treatment","ACS Omega","2020","","","","","10.1021/acsomega.0c01821","","","0.71073","MoKα","","0.1168","0.1096","","0.2805","0.2774","0.2687","","","","","","1.0336","","","","has coordinates","254513","2020-10-21","18:00:00",""
"4517869","8.697","0.005","4.949","0.003","23.171","0.012","90","","94.349","0.014","90","","994.4","1","100","","100","","","","","","","","synthesised","4","P 1 21 1","P 2yb","4","","","","- C21 H34 N2 O2 -","- C21 H34 N2 O2 -","- C42 H68 N4 O4 -","2","1","","Chen, Jun; Boott, Charlotte E.; Lewis, Lev; Siu, Andrew; Al-Debasi, Renad; Carta, Veronica; Fogh, Amanda A.; Kurek, Daniel Z.; Wang, Lilo; MacLachlan, Mark J.; Hum, Gabriel","Amino Acid-Containing Phase-Selective Organogelators: A Water-Based Delivery System for Oil Spill Treatment","ACS Omega","2020","","","","","10.1021/acsomega.0c01821","","","0.71073","MoKα","","0.0467","0.0363","","0.0918","0.0841","0.0918","","","","","","0.9748","","","","has coordinates","254514","2020-10-21","18:00:00",""
"4517870","19.047","0.005","8.804","0.0013","24.664","0.004","90","","105.975","0.014","90","","3976.2","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3k","6-(4-methylbenzene-1-sulfonyl)-5-[(4-methylphenyl)sulfanyl]hexanoic acid","","- C20 H24 O4 S2 -","- C20 H24 O4 S2 -","- C160 H192 O32 S16 -","8","2","","Gadde, Karthik; Mampuys, Pieter; Guidetti, Andrea; Ching, H. Y. Vincent; Herrebout, Wouter A.; Van Doorslaer, Sabine; Abbaspour Tehrani, Kourosch; Maes, Bert U. W.","Thiosulfonylation of Unactivated Alkenes with Visible-Light Organic Photocatalysis","ACS Catalysis","2020","","","8765","8779","10.1021/acscatal.0c02159","","","1.54187","CuKα","","0.0776","0.0611","","","0.1621","0.1863","","","","","","1.066","","","","has coordinates,has disorder","257033","2020-10-21","18:00:00",""
"4517871","13.2032","0.0001","17.7108","0.0001","13.3568","0.0001","90","","104.055","0.001","90","","3029.84","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 N2 O Rb2 -","- C30 H44 N2 O Rb2 -","- C120 H176 N8 O4 Rb8 -","4","1","","Duraisamy, Ramesh; Liebing, Phil; Harmgarth, Nicole; Lorenz, Volker; Hilfert, Liane; Feneberg, Martin; Goldhahn, Rüdiger; Engelhardt, Felix; Edelmann, Frank T.","Rubidium and Cesium Enediamide Complexes Derived from Bulky 1,4-Diazadienes","ACS Omega","2020","","","","","10.1021/acsomega.0c02414","","","1.54184","CuKα","","0.0247","0.0234","","","0.0589","0.0599","","","","","","1.027","","","","has coordinates","254555","2020-10-21","18:00:00",""
"4517872","11.0782","0.0007","13.4018","0.0008","13.8529","0.0008","64.885","0.004","85.879","0.005","69.433","0.005","1736.3","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H51 Cs2 N2 O3 -","- C32 H51 Cs2 N2 O3 -","- C64 H102 Cs4 N4 O6 -","2","1","","Duraisamy, Ramesh; Liebing, Phil; Harmgarth, Nicole; Lorenz, Volker; Hilfert, Liane; Feneberg, Martin; Goldhahn, Rüdiger; Engelhardt, Felix; Edelmann, Frank T.","Rubidium and Cesium Enediamide Complexes Derived from Bulky 1,4-Diazadienes","ACS Omega","2020","","","","","10.1021/acsomega.0c02414","","","0.71073","MoKα","","0.0351","0.0251","","","0.0546","0.0572","","","","","","0.99","","","","has coordinates,has disorder","254555","2020-10-21","18:00:00",""
"4517873","36.5255","0.0007","12.5779","0.0002","21.3866","0.0005","90","","105.589","0.002","90","","9463.9","0.3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H152 N4 O9 Rb4 -","- C92 H152 N4 O9 Rb4 -","- C368 H608 N16 O36 Rb16 -","4","1","","Duraisamy, Ramesh; Liebing, Phil; Harmgarth, Nicole; Lorenz, Volker; Hilfert, Liane; Feneberg, Martin; Goldhahn, Rüdiger; Engelhardt, Felix; Edelmann, Frank T.","Rubidium and Cesium Enediamide Complexes Derived from Bulky 1,4-Diazadienes","ACS Omega","2020","","","","","10.1021/acsomega.0c02414","","","0.71073","MoKα","","0.0825","0.0517","","","0.106","0.1186","","","","","","1.036","","","","has coordinates,has disorder","254555","2020-10-21","18:00:00",""
"4517874","39.16","0.02","12.227","0.004","21.282","0.007","90","","104.4","0.04","90","","9870","7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H80 Cs2 N2 O5 -","- C48 H80 Cs2 N2 O5 -","- C384 H640 Cs16 N16 O40 -","8","1","","Duraisamy, Ramesh; Liebing, Phil; Harmgarth, Nicole; Lorenz, Volker; Hilfert, Liane; Feneberg, Martin; Goldhahn, Rüdiger; Engelhardt, Felix; Edelmann, Frank T.","Rubidium and Cesium Enediamide Complexes Derived from Bulky 1,4-Diazadienes","ACS Omega","2020","","","","","10.1021/acsomega.0c02414","","","0.71073","MoKα","","0.076","0.0624","","","0.1321","0.1378","","","","","","1.211","","","","has coordinates,has disorder","254555","2020-10-21","18:00:00",""
"4517875","10.8185","0.0002","16.2139","0.0005","22.5926","0.0006","107.709","0.003","95.3396","0.0019","90.349","0.002","3756.32","0.18","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","4,4',4'',4'''-(5,5-dimethoxycyclopenta-1,3-diene-1,2,3,4-tetrayl)tetrakis(N,N-bis(4-methoxyphenyl)aniline)","","- C88 H79 Cl3 N4 O10 -","- C88 H79 Cl3 N4 O10 -","- C176 H158 Cl6 N8 O20 -","2","1","","Akin, Seckin; Bauer, Michael; Uchida, Ryusuke; Arora, Neha; Jacopin, Gwenole; Liu, Yuhang; Hertel, Dirk; Meerholz, Klaus; Mena-Osteritz, Elena; Bäuerle, Peter; Zakeeruddin, Shaik Mohammed; Dar, M. Ibrahim; Grätzel, Michael","Cyclopentadithiophene-Based Hole-Transporting Material for Highly Stable Perovskite Solar Cells with Stabilized Efficiencies Approaching 21%","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.0c00811","","x-ray","1.54184","CuKα","","0.0655","0.0535","","","0.1438","0.1544","","","","","","1.032","","","","has coordinates,has disorder","254598","2020-10-21","18:00:00",""
"4517876","18.0404","0.0003","18.0404","0.0003","20.6034","0.0004","90","","90","","90","","6705.5","0.2","293","2","293","2","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C108 H52 N4 O36 Zr6 -","- C108 H52 N4 O36 Zr6 -","- C108 H52 N4 O36 Zr6 -","1","0.0625","","Kong, Xiang-Jing; Ji, Xiaoting; He, Tao; Xie, Lin-Hua; Zhang, Yong-Zheng; Lv, Haoyuan; Ding, Caifeng; Li, Jian-Rong","Green-Emission Metal-Organic Framework-Based Nanoprobe for Imaging Dual Tumor Biomarkers in Living Cells.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c10038","","","1.54178","CuKα","","0.1127","0.0928","","","0.2728","0.2994","","","","","","0.997","","","","has coordinates","254599","2020-10-21","18:00:00",""
"4517877","24.6518","0.0005","17.795","0.0003","19.3911","0.0004","90","","102.588","0.002","90","","8302","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C152 H30 Cl2 F6 O4 -","- C152 H30 Cl2 F6 O4 -","- C608 H120 Cl8 F24 O16 -","4","1","","Xing, Zhou; Li, Shu-Hui; Xie, Fang-Fang; Xu, Piao-Yang; Deng, Lin-Long; Zhong, Xinxian; Xie, Su-Yuan","Mixed Fullerene Electron Transport Layers with Fluorocarbon Chains Assembling on the Surface: A Moisture-Resistant Coverage for Perovskite Solar Cells.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c10074","","x-ray","1.54184","CuKα","","0.0693","0.058","","","0.1526","0.1646","","","","","","1.023","","","","has coordinates","254622","2020-10-21","18:00:00",""
"4517878","12.9355","0.0009","32.461","0.002","10.3029","0.0007","90","","109.28","0.002","90","","4083.6","0.5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 F6 Ir N4 O4 P -","- C46 H36 F6 Ir N4 O4 P -","- C184 H144 F24 Ir4 N16 O16 P4 -","4","1","","Gupta, Ajay; Prasad, Puja; Gupta, Shalini; Sasmal, Pijus K.","Simultaneous Ultrasensitive Detection and Elimination of Drug-Resistant Bacteria by Cyclometalated Iridium(III) Complexes.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c11161","","","0.71073","MoKα","","0.0784","0.0468","","","0.0874","0.0984","","","","","","1.116","","","","has coordinates","254623","2020-10-21","18:00:00",""
"4517879","17.0512","0.0008","20.0506","0.0009","22.7296","0.001","90","","90","","90","","7770.9","0.6","173","2","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C75 H109.5 Cl Cr2 N5.5 O5 -","- C74 H108 Cl Cr2 N5 O5 -","- C296 H432 Cl4 Cr8 N20 O20 -","4","1","","Lipinski, Bryce M.; Walker, Katherine L.; Clayman, Naomi E.; Morris, Lilliana S.; Jugovic, Timothy M. E.; Roessler, Allison G.; Getzler, Yutan D. Y. L.; MacMillan, Samantha N.; Zare, Richard N.; Zimmerman, Paul M.; Waymouth, Robert M.; Coates, Geoffrey W.","Mechanistic Study of Isotactic Poly(propylene oxide) Synthesis using a Tethered Bimetallic Chromium Salen Catalyst","ACS Catalysis","2020","","","8960","8967","10.1021/acscatal.0c02135","","","0.71073","MoKα","","0.0673","0.0511","","","0.0993","0.1047","","","","","","1.026","","","","has coordinates","257019","2020-10-21","18:00:00",""
"4517880","39.4522","0.0006","39.4522","0.0006","16.5041","0.0003","90","","90","","120","","22246.7","0.6","200","2","200","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C44.33 H22 Ni0.44 O17 Zr3 -","- C44 H22 Ni0.44 O17 Zr3 -","- C264 H132 Ni2.64 O102 Zr18 -","6","0.25","","Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K.","Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation","ACS Catalysis","2020","","","8995","9005","10.1021/acscatal.0c01844","","x-ray","1.54178","CuKα","","0.0543","0.0502","","","0.1483","0.152","","","","","","1.085","","","","has coordinates,has disorder","257036","2020-10-21","18:00:00",""
"4517881","39.903","0.006","39.903","0.006","12.022","0.002","90","","90","","120","","16577","4","200","2","200.02","","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C34 H16 Br2 Ni0.4 O17.3 Zr3 -","- C34 H16 Br2 Ni0.4 O17.3 Zr3 -","- C204 H96 Br12 Ni2.4 O103.8 Zr18 -","6","0.25","","Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K.","Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation","ACS Catalysis","2020","","","8995","9005","10.1021/acscatal.0c01844","","","1.54178","CuKα","","0.0607","0.0567","","","0.1802","0.1869","","","","","","1.09","","","","has coordinates,has disorder","257036","2020-10-21","18:00:00",""
"4517882","28.2651","0.0007","28.2651","0.0007","28.2651","0.0007","90","","90","","90","","22581.4","1","200","2","199.98","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C10 H7 Ni0.1 O4 Zr0.75 -","- C10 H7 Ni0.1 O4 Zr0.75 -","- C240 H168 Ni2.4 O96 Zr18 -","24","0.5","","Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K.","Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation","ACS Catalysis","2020","","","8995","9005","10.1021/acscatal.0c01844","","x-ray","1.54178","CuKα","","0.1675","0.1542","","","0.4908","0.5183","","","","","","2.538","","","","has coordinates,has disorder","257036","2020-10-21","18:00:00",""
"4517883","40.4333","0.0011","40.4333","0.0011","11.4682","0.0005","90","","90","","120","","16236.9","0.9","200","2","200.02","","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C34.8 H16 Br2 Hf3 Ni0.44 O16 -","- C34.8 H16 Br2 Hf3 Ni0.44 O16 -","- C208.8 H96 Br12 Hf18 Ni2.64 O96 -","6","0.25","","Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K.","Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation","ACS Catalysis","2020","","","8995","9005","10.1021/acscatal.0c01844","","x-ray","1.54178","CuKα","","0.0883","0.0865","","","0.2509","0.2529","","","","","","1.089","","","","has coordinates,has disorder","257036","2020-10-21","18:00:00",""
"4517884","39.601","0.003","39.601","0.003","16.4314","0.0013","90","","90","","120","","22316","3","250","2","250","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C11 H6 Hf0.81 Ni0.16 O4 -","- C11 H6 Hf0.81 Ni0.16 O4 -","- C264 H144 Hf19.44 Ni3.84 O96 -","24","1","","Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K.","Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation","ACS Catalysis","2020","","","8995","9005","10.1021/acscatal.0c01844","","x-ray","1.54178","CuKα","","0.2239","0.2024","","","0.5301","0.5487","","","","","","2.441","","","","has coordinates","257036","2020-10-21","18:00:00",""
"4517885","11.8293","0.0013","27.142","0.003","21.819","0.002","90","","96.844","0.008","90","","6955.5","1.3","296","2","296.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C18 H15 Cu N5 O6 -","- C18 H15 Cu N5 O6 -","- C144 H120 Cu8 N40 O48 -","8","1","","Das, Prasenjit; Mandal, Sanjay K.","Unprecedented High Temperature CO2 Selectivity and Effective Chemical Fixation by a Copper-Based Undulated Metal-Organic Framework.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c09024","","","0.71073","MoKα","","0.1828","0.1179","","","0.3286","0.3721","","","","","","1.058","","","","has coordinates","255116","2020-10-21","18:00:00",""
"4517886","9.128","0.006","7.415","0.007","14.724","0.01","90","","100.939","0.014","90","","978.5","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H6 N O -","- C5 H6 N O -","- C40 H48 N8 O8 -","8","4","","Ji, Wei; Xue, Bin; Bera, Santu; Guerin, Sarah; Liu, Yanqing; Yuan, Hui; Li, Qi; Yuan, Chengqian; Shimon, Linda J. W.; Ma, Qing; Kiely, Evan; Tofail, Syed A. M.; Si, Mingsu; Yan, Xuehai; Cao, Yi; Wang, Wei; Yang, Rusen; Thompson, Damien; Li, Junbai; Gazit, Ehud","Tunable Mechanical and Optoelectronic Properties of Organic Cocrystals by Unexpected Stacking Transformation from H- to J- and X-Aggregation","ACS Nano","2020","","","","","10.1021/acsnano.0c05367","","","0.71073","MoKα","","0.0533","0.0341","","","0.0941","0.1077","","","","","","0.992","","","","has coordinates","255118","2020-10-21","18:00:00",""
"4517887","12.216","0.002","14.294","0.002","11.882","0.002","90","","90","","90","","2074.8","0.6","100","2","100","2","","","","","","","","4","C 2 2 2","C 2 2","21","","","","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","- C80 H104 N16 O24 -","4","0.5","","Ji, Wei; Xue, Bin; Bera, Santu; Guerin, Sarah; Liu, Yanqing; Yuan, Hui; Li, Qi; Yuan, Chengqian; Shimon, Linda J. W.; Ma, Qing; Kiely, Evan; Tofail, Syed A. M.; Si, Mingsu; Yan, Xuehai; Cao, Yi; Wang, Wei; Yang, Rusen; Thompson, Damien; Li, Junbai; Gazit, Ehud","Tunable Mechanical and Optoelectronic Properties of Organic Cocrystals by Unexpected Stacking Transformation from H- to J- and X-Aggregation","ACS Nano","2020","","","","","10.1021/acsnano.0c05367","","","0.71073","MoKα","","0.1051","0.0573","","","0.1","0.1145","","","","","","1.087","","","","has coordinates","255119","2020-10-21","18:00:00",""
"4517888","8.1746","0.0005","11.1625","0.0007","13.359","0.0009","106.939","0.003","98.293","0.003","96.435","0.003","1138.52","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H30 N12 O8 -","- C13 H30 N12 O8 -","- C26 H60 N24 O16 -","2","1","","Cai, He; Zhang, Xingwang; Lei, Lecheng; Xiao, Chengliang","Direct CO<sub>2</sub> Capture from Air via Crystallization with a Trichelating Iminoguanidine Ligand.","ACS omega","2020","5","32","20428","20437","10.1021/acsomega.0c02460","","","0.71073","MoKα","","0.1287","0.0662","","","0.1546","0.1852","","","","","","1.008","","","","has coordinates,has disorder","255859","2020-10-21","18:00:00",""
"4517889","16.2707","","8.4478","","8.1981","","90","","91.212","","90","","1126.59","","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 K2 N2 O12 -","- C20 H14 K2 N2 O12 -","- C40 H28 K4 N4 O24 -","2","0.5","","Abe, Haruka; Kawasaki, Ayumi; Takeda, Takashi; Hoshino, Norihisa; Matsuda, Wakana; Seki, Shu; Akutagawa, Tomoyuki","Switching of Electron and Ion Conductions by Reversible H2O Sorption in n-Type Organic Semiconductors","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c09501","","","1.54187","CuKα","","0.1777","0.1001","","","0.2504","0.3308","","","","","","0.934","","","","has coordinates","255208","2020-10-21","18:00:00",""
"4517890","7.6233","0.0004","7.8881","0.0004","13.5115","0.0007","90","","91.9018","0.0016","90","","812.04","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 Cl2 N O -","- C18 H21 Cl2 N O -","- C36 H42 Cl4 N2 O2 -","2","1","","Rong, Zi-Qiang; Yu, Zhaoyuan; Weng, Cheng; Yang, Li-Cheng; Lu, Shenci; Lan, Yu; Zhao, Yu","Dynamic Kinetic Asymmetric Amination of Alcohols Assisted by Microwave: Stereoconvergent Access to Tetralin- and Indane-Derived Chiral Amines","ACS Catalysis","2020","","","9464","","10.1021/acscatal.0c02468","","","0.71073","MoKα","","0.0259","0.0247","","","0.0644","0.0652","","","","","","1.065","","","","has coordinates","255212","2020-10-21","18:00:00",""
"4517891","9.4887","0.0001","9.8639","0.0001","26.3497","0.0002","90","","90","","90","","2466.22","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 N3 O7 -","- C27 H29 N3 O7 -","- C108 H116 N12 O28 -","4","1","","Ghosh, Moumita; Bera, Santu; Schiffmann, Sarah; Shimon, Linda J. W.; Adler-Abramovich, Lihi","Collagen-Inspired Helical Peptide Coassembly Forms a Rigid Hydrogel with Twisted Polyproline II Architecture","ACS Nano","2020","","","","","10.1021/acsnano.0c03085","","","1.54184","CuKα","","0.0313","0.0308","","","0.0769","0.0773","","","","","","1.043","","","","has coordinates","255213","2020-10-21","18:00:00",""
"4517892","10.7289","0.0005","11.1254","0.0005","25.2451","0.0012","90","","91.502","0.001","90","","3012.3","0.2","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H34 N2 O7 -","- C35 H34 N2 O7 -","- C140 H136 N8 O28 -","4","1","","Nariyangadu, Sesha Bamini; Choedak, Tenzin; Malar, Ezekiel Joy Padma; Chen, Junsheng; Thyrhaug, Erling; Kumar, Pushpendra; Zhou, Jinming; Yechuri, Vidyalakshmi; Pal, Suman Kalyan; Lidin, Sven; Thangadhorai, Kejalakshmy Namassivayane; Karki, Khadga J.; Pullerits, Tönu","New Nonlinear Optical Crystal of Rhodamine 590 Acid Phthalate.","ACS omega","2020","5","33","20863","20873","10.1021/acsomega.0c02303","","x-ray","0.71073","MoKα","","0.1064","0.0537","","","0.1413","0.159","","","","2.4","2.4","1.92","","","","has coordinates","255862","2020-10-21","18:00:00",""
"4517893","28.996","0.002","13.7875","0.0008","15.47","0.0009","90","","112.995","0.004","90","","5693.2","0.6","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H49 Cl10 Fe2 N7 O7 -","- C48 H49 Cl10 Fe2 N7 O7 -","- C192 H196 Cl40 Fe8 N28 O28 -","4","0.5","","Chakraborty, Aratrika; Chowdhury, Tania; Menéndez, María Isabel; Chattopadhyay, Tanmay","Iron Complexes Anchored onto Magnetically Separable Graphene Oxide Sheets: An Excellent Catalyst for the Synthesis of Dihydroquinazoline-Based Compounds","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c08616","","","0.71073","MoKα","","0.0909","0.0498","","","0.1231","0.1461","","","","","","0.962","","","","has coordinates","255317","2020-10-21","18:00:00",""
"4517894","15.6929","0.0017","13.9942","0.0015","27.243","0.003","90","","98.547","0.008","90","","5916.4","1.1","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C46 H46 Br8 Cl2 Fe2 N8 O7 -","- C46 H46 Br8 Cl2 Fe2 N8 O7 -","- C184 H184 Br32 Cl8 Fe8 N32 O28 -","4","0.5","","Chakraborty, Aratrika; Chowdhury, Tania; Menéndez, María Isabel; Chattopadhyay, Tanmay","Iron Complexes Anchored onto Magnetically Separable Graphene Oxide Sheets: An Excellent Catalyst for the Synthesis of Dihydroquinazoline-Based Compounds","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c08616","","","0.71073","MoKα","","0.1348","0.0774","","","0.1544","0.1838","","","","","","1.083","","","","has coordinates","255318","2020-10-21","18:00:00",""
"4517895","8.3566","0.0004","11.5633","0.0006","21.3776","0.0011","85.813","0.002","86.27","0.002","69.084","0.002","1922.76","0.17","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H37 Cl Fe I4 N5 O5 -","- C28 H37 Cl Fe I4 N5 O5 -","- C56 H74 Cl2 Fe2 I8 N10 O10 -","2","1","","Chakraborty, Aratrika; Chowdhury, Tania; Menéndez, María Isabel; Chattopadhyay, Tanmay","Iron Complexes Anchored onto Magnetically Separable Graphene Oxide Sheets: An Excellent Catalyst for the Synthesis of Dihydroquinazoline-Based Compounds","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c08616","","","0.71073","MoKα","","0.0462","0.0389","","","0.1062","0.113","","","","","","1.048","","","","has coordinates","255319","2020-10-21","18:00:00",""
"4517896","7.9811","0.0003","10.8039","0.0004","11.8435","0.0004","68.2887","0.0018","81.0025","0.0019","65.8247","0.0016","865.56","0.06","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N4 O4 -","- C20 H16 N4 O4 -","- C40 H32 N8 O8 -","2","1","","Oka, Yoshimi","Cesium Cation Complexation by a Flavin Receptor via Self-Assembly and Deprotonation.","ACS omega","2020","5","33","21226","21230","10.1021/acsomega.0c03006","","","1.54187","CuKα","","","0.0471","","","","0.1325","","","","","","0.981","","","","has coordinates","255863","2020-10-21","18:00:00",""
"4517897","10.1941","0.0014","15.966","0.002","12.8443","0.0018","90","","103.751","0.006","90","","2030.6","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 N6 Ni2 O10 -","- C42 H50 N6 Ni2 O10 -","- C84 H100 N12 Ni4 O20 -","2","0.5","","Kumar, Sandeep; Khullar, Sadhika; Mandal, Sanjay K.","Steric Effect of a Capping Ligand on the Formation of Supramolecular Coordination Networks of Ni(II): Solid-State Entrapment of Cyclic Water Dimer","ACS Omega","2020","5","34","21873","21882","10.1021/acsomega.0c03065","","","0.71073","MoKα","","0.1655","0.0609","","","0.1024","0.1359","","","","","","0.982","","","","has coordinates","257072","2020-10-21","18:00:00",""
"4517898","10.2641","0.0008","16.8498","0.0013","13.0024","0.001","90","","98.545","0.003","90","","2223.8","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N3 Ni O6 -","- C22 H29 N3 Ni O6 -","- C88 H116 N12 Ni4 O24 -","4","1","","Kumar, Sandeep; Khullar, Sadhika; Mandal, Sanjay K.","Steric Effect of a Capping Ligand on the Formation of Supramolecular Coordination Networks of Ni(II): Solid-State Entrapment of Cyclic Water Dimer","ACS Omega","2020","5","34","21873","21882","10.1021/acsomega.0c03065","","","0.71073","MoKα","","0.0292","0.0249","","","0.0618","0.0641","","","","","","1.048","","","","has coordinates","257072","2020-10-21","18:00:00",""
"4517899","12.813","0.004","5.8882","0.0014","6.7088","0.0013","90","","118.25","0.02","90","","445.9","0.2","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H2 O6 Zr -","- C2 H2 O6 Zr -","- C8 H8 O24 Zr4 -","4","0.5","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","powder diffraction","x-ray","1.5418","CuKα","","0.0417","0.0417","","0.06","0.06","","","","4.45","","","","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517900","6.9269","0.0003","10.4427","0.0006","10.6447","0.0006","78.421","0.002","86.155","0.002","89.945","0.002","752.56","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H30 O34 Zr2 -","- C10 H30 O34 Zr2 -","- C10 H30 O34 Zr2 -","1","0.5","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","","","0.71073","MoKα","","0.0378","0.0282","","","0.0529","0.0566","","","","","","1.045","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517901","13.8646","0.0009","10.4241","0.0006","8.929","0.0005","90","","95.743","0.003","90","","1284","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Na2 O14 Zr -","- C6 H4 Na2 O14 Zr -","- C24 H16 Na8 O56 Zr4 -","4","0.5","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","","","0.71073","MoKα","","0.0368","0.0286","","","0.0534","0.0572","","","","","","1.068","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517902","9.2166","0.0009","11.169","0.001","14.094","0.0015","90","","107.718","0.005","90","","1382","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 K O16 Zr -","- C6 H9 K O16 Zr -","- C24 H36 K4 O64 Zr4 -","4","1","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","","","0.71073","MoKα","","0.0422","0.0291","","","0.0593","0.064","","","","","","1.06","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517903","9.3411","0.0007","11.1701","0.0008","14.2537","0.0009","90","","107.699","0.002","90","","1416.85","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 N O16 Zr -","- C6 H13 N O16 Zr -","- C24 H52 N4 O64 Zr4 -","4","1","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","","","0.71073","MoKα","","0.034","0.0248","","","0.0583","0.0624","","","","","","1.043","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517904","7.7027","0.0005","8.9788","0.0006","10.6518","0.0007","79.179","0.003","72.476","0.004","76.975","0.003","678.7","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H7 O15 Rb Zr -","- C6 H3 O15 Rb Zr -","- C12 H6 O30 Rb2 Zr2 -","2","1","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","","","0.71073","MoKα","","0.0524","0.0367","","","0.09","0.0986","","","","","","1.026","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517905","7.7318","0.0004","9.1847","0.0005","10.6352","0.0005","78.861","0.002","72.333","0.002","77.713","0.002","696.41","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H7 Cs O15 Zr -","- C6 H3 Cs O15 Zr -","- C12 H6 Cs2 O30 Zr2 -","2","1","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","","","0.71073","MoKα","","0.0486","0.0377","","","0.0949","0.102","","","","","","0.973","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517906","7.63471","0.00012","7.63471","0.00012","7.63471","0.00012","90","","90","","90","","445.018","0.012","40","","40","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.31","7.6","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517907","7.63463","0.00011","7.63463","0.00011","7.63463","0.00011","90","","90","","90","","445.004","0.011","20","","20","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.39","7.64","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517908","7.63471","0.00012","7.63471","0.00012","7.63471","0.00012","90","","90","","90","","445.018","0.012","120","","120","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.29","7.66","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517909","7.63536","0.00013","7.63536","0.00013","7.63536","0.00013","90","","90","","90","","445.132","0.013","180","","180","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.24","7.75","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517910","7.63664","0.00011","7.63664","0.00011","7.63664","0.00011","90","","90","","90","","445.356","0.011","300","","300","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.23","7.68","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517911","7.6351","0.00013","7.6351","0.00013","7.6351","0.00013","90","","90","","90","","445.086","0.013","160","","160","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.28","7.72","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517912","7.63496","0.00013","7.63496","0.00013","7.63496","0.00013","90","","90","","90","","445.062","0.013","140","","140","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.26","7.69","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517913","7.63603","0.00011","7.63603","0.00011","7.63603","0.00011","90","","90","","90","","445.249","0.011","220","","220","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.26","7.68","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517914","7.63458","0.00012","7.63458","0.00012","7.63458","0.00012","90","","90","","90","","444.995","0.012","60","","60","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.28","7.58","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517915","7.63706","0.00011","7.63706","0.00011","7.63706","0.00011","90","","90","","90","","445.429","0.011","260","","260","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.2","7.69","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517916","7.63467","0.00012","7.63467","0.00012","7.63467","0.00012","90","","90","","90","","445.011","0.012","100","","100","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.25","7.62","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517917","7.63563","0.00013","7.63563","0.00013","7.63563","0.00013","90","","90","","90","","445.179","0.013","200","","200","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.28","7.73","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517918","7.63757","0.00012","7.63757","0.00012","7.63757","0.00012","90","","90","","90","","445.518","0.012","280","","280","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.23","7.7","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517919","7.63863","0.00012","7.63863","0.00012","7.63863","0.00012","90","","90","","90","","445.704","0.012","300","","300","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.18","7.71","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517920","7.63456","0.00012","7.63456","0.00012","7.63456","0.00012","90","","90","","90","","444.992","0.012","80","","80","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.25","7.6","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517921","7.47281","0.00014","7.47281","0.00014","7.47281","0.00014","90","","90","","90","","417.303","0.014","120","","120","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.09","5.8","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517922","7.47607","0.00016","7.47607","0.00016","7.47607","0.00016","90","","90","","90","","417.85","0.015","300","","300","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.05","5.82","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517923","7.4745","0.00017","7.4745","0.00017","7.4745","0.00017","90","","90","","90","","417.586","0.016","240","","240","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.03","5.74","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517924","7.4726","0.00012","7.4726","0.00012","7.4726","0.00012","90","","90","","90","","417.268","0.012","20","","20","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.19","5.8","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517925","7.47266","0.00011","7.47266","0.00011","7.47266","0.00011","90","","90","","90","","417.278","0.011","5","","5","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.17","5.8","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517926","7.47268","0.00015","7.47268","0.00015","7.47268","0.00015","90","","90","","90","","417.282","0.015","100","","100","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.05","5.78","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517927","7.47262","0.00014","7.47262","0.00014","7.47262","0.00014","90","","90","","90","","417.271","0.014","80","","80","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.12","5.8","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517928","7.47305","0.00014","7.47305","0.00014","7.47305","0.00014","90","","90","","90","","417.344","0.014","160","","160","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.08","5.78","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517929","7.47296","0.00013","7.47296","0.00013","7.47296","0.00013","90","","90","","90","","417.328","0.013","140","","140","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.09","5.77","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517930","7.47497","0.00016","7.47497","0.00016","7.47497","0.00016","90","","90","","90","","417.665","0.015","260","","260","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.08","5.76","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517931","7.47257","0.00014","7.47257","0.00014","7.47257","0.00014","90","","90","","90","","417.263","0.014","60","","60","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.09","5.79","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517932","7.47552","0.00015","7.47552","0.00015","7.47552","0.00015","90","","90","","90","","417.757","0.015","280","","280","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.08","5.8","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517933","7.4727","0.00009","7.4727","0.00009","7.4727","0.00009","90","","90","","90","","417.285","0.009","40","","40","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.12","5.79","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517934","7.47339","0.00013","7.47339","0.00013","7.47339","0.00013","90","","90","","90","","417.4","0.013","180","","180","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.07","5.74","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517935","7.47412","0.00011","7.47412","0.00011","7.47412","0.00011","90","","90","","90","","417.523","0.011","220","","220","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.07","5.72","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517936","7.47373","0.00014","7.47373","0.00014","7.47373","0.00014","90","","90","","90","","417.457","0.014","200","","200","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.04","5.77","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517937","7.68474","0.00008","7.68474","0.00008","7.68474","0.00008","90","","90","","90","","453.824","0.008","300","","300","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.54","7.17","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517938","7.68392","0.00008","7.68392","0.00008","7.68392","0.00008","90","","90","","90","","453.679","0.008","280","","280","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.58","7.22","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517939","7.68194","0.00008","7.68194","0.00008","7.68194","0.00008","90","","90","","90","","453.328","0.008","200","","200","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.59","7.19","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517940","7.68083","0.00007","7.68083","0.00007","7.68083","0.00007","90","","90","","90","","453.132","0.007","40","","40","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.79","7.3","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517941","7.68092","0.00008","7.68092","0.00008","7.68092","0.00008","90","","90","","90","","453.148","0.008","100","","100","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.67","7.26","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517942","7.68085","0.00008","7.68085","0.00008","7.68085","0.00008","90","","90","","90","","453.135","0.008","20","","20","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.77","7.27","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517943","7.68132","0.00008","7.68132","0.00008","7.68132","0.00008","90","","90","","90","","453.218","0.008","160","","160","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.68","7.21","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517944","7.68233","0.00008","7.68233","0.00008","7.68233","0.00008","90","","90","","90","","453.397","0.008","220","","220","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.55","7.2","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517945","7.68087","0.00007","7.68087","0.00007","7.68087","0.00007","90","","90","","90","","453.139","0.007","60","","60","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.7","7.29","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517946","7.6812","0.00008","7.6812","0.00008","7.6812","0.00008","90","","90","","90","","453.197","0.008","140","","140","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.69","7.21","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517947","7.68106","0.00007","7.68106","0.00007","7.68106","0.00007","90","","90","","90","","453.172","0.007","120","","120","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.76","7.22","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517948","7.68084","0.00008","7.68084","0.00008","7.68084","0.00008","90","","90","","90","","453.133","0.008","5","","5","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.05","7.38","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517949","7.68336","0.00008","7.68336","0.00008","7.68336","0.00008","90","","90","","90","","453.58","0.008","300","","300","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.54","7.16","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517950","7.68092","0.00008","7.68092","0.00008","7.68092","0.00008","90","","90","","90","","453.148","0.008","80","","80","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.79","7.26","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517951","7.68153","0.00008","7.68153","0.00008","7.68153","0.00008","90","","90","","90","","453.256","0.008","180","","180","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.62","7.2","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517952","7.68284","0.00008","7.68284","0.00008","7.68284","0.00008","90","","90","","90","","453.488","0.008","240","","240","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.56","7.2","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517953","16.1569","0.0003","16.4325","0.0003","12.6862","0.0003","90","","93.273","0.002","90","","3362.67","0.12","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C36 H64 Au2 Cl8 N24 O26 -","- C36 H64 Au2 Cl8 N24 O26 -","- C72 H128 Au4 Cl16 N48 O52 -","2","0.25","","Wu, Huang; Jones, Leighton O.; Wang, Yu; Shen, Dengke; Liu, Zhichang; Zhang, Long; Cai, Kang; Jiao, Yang; Stern, Charlotte L.; Schatz, George C.; Stoddart, J. Fraser","High-Efficiency Gold Recovery Using Cucurbit[6]uril.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c09673","","x-ray","0.71073","MoKα","","0.0406","0.0334","","","0.087","0.0896","","","","","","1.051","","","","has coordinates,has disorder","255400","2020-10-21","18:00:00",""
"4517954","16.1427","0.0004","16.3995","0.0004","12.696","0.0003","90","","93.083","0.002","90","","3356.18","0.14","101","2","101","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C18 H32 Au Cl4 N12 O13 -","- C18 H32 Au Cl4 N12 O13 -","- C72 H128 Au4 Cl16 N48 O52 -","4","0.5","","Wu, Huang; Jones, Leighton O.; Wang, Yu; Shen, Dengke; Liu, Zhichang; Zhang, Long; Cai, Kang; Jiao, Yang; Stern, Charlotte L.; Schatz, George C.; Stoddart, J. Fraser","High-Efficiency Gold Recovery Using Cucurbit[6]uril.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c09673","","x-ray","0.71073","MoKα","","0.0278","0.0244","","","0.0625","0.0634","","","","","","1.075","","","","has coordinates","255401","2020-10-21","18:00:00",""
"4517955","14.4358","0.0002","14.4358","0.0002","58.4604","0.0011","90","","90","","90","","12182.7","0.3","100","0.1","100","0.1","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C72 H74 Au2 Br8 N48 O25 -","- C72 H74 Au1.9998 Br7.9992 N48 O25 -","- C288 H296 Au7.9992 Br31.9968 N192 O100 -","4","0.25","","Wu, Huang; Jones, Leighton O.; Wang, Yu; Shen, Dengke; Liu, Zhichang; Zhang, Long; Cai, Kang; Jiao, Yang; Stern, Charlotte L.; Schatz, George C.; Stoddart, J. Fraser","High-Efficiency Gold Recovery Using Cucurbit[6]uril.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c09673","","x-ray","0.71073","MoKα","","0.1064","0.0901","","","0.2526","0.2663","","","","","","1.016","","","","has coordinates,has disorder","255402","2020-10-21","18:00:00",""
"4517956","14.3299","0.0014","14.3772","0.0011","15.9853","0.0012","66.228","0.007","88.468","0.007","89.781","0.007","3012.8","0.5","100.01","0.12","100.01","0.12","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 Au Br4 K0.5 N24 O12.5 -","- C36 H36 Au Br4 K0.5 N24 O12.5 -","- C72 H72 Au2 Br8 K N48 O25 -","2","1","","Wu, Huang; Jones, Leighton O.; Wang, Yu; Shen, Dengke; Liu, Zhichang; Zhang, Long; Cai, Kang; Jiao, Yang; Stern, Charlotte L.; Schatz, George C.; Stoddart, J. Fraser","High-Efficiency Gold Recovery Using Cucurbit[6]uril.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c09673","","x-ray","0.71073","MoKα","","0.2244","0.1468","","","0.3994","0.4354","","","","","","1.41","","","","has coordinates,has disorder","255403","2020-10-21","18:00:00",""
"4517957","16.2232","0.0003","16.5456","0.0003","12.685","0.0002","90","","93.6","0.0016","90","","3398.22","0.1","100","0.1","100","0.1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C36 H64 Au2 Br3.43 Cl4.57 N24 O26 -","- C36 H64 Au2 Br3.432 Cl4.568 N24 O26 -","- C72 H128 Au4 Br6.864 Cl9.136 N48 O52 -","2","0.25","","Wu, Huang; Jones, Leighton O.; Wang, Yu; Shen, Dengke; Liu, Zhichang; Zhang, Long; Cai, Kang; Jiao, Yang; Stern, Charlotte L.; Schatz, George C.; Stoddart, J. Fraser","High-Efficiency Gold Recovery Using Cucurbit[6]uril.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c09673","","x-ray","0.71073","MoKα","","0.046","0.0363","","","0.0855","0.0882","","","","","","1.08","","","","has coordinates,has disorder","255404","2020-10-21","18:00:00",""
"4517958","7.213","0.002","9.427","0.002","13.291","0.005","73.712","0.006","82.58","0.007","86.521","0.01","859.9","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 F3 N O4 -","- C19 H16 F3 N O4 -","- C38 H32 F6 N2 O8 -","2","1","","Adamovskyi, Mykhailo I.; Avramenko, Mykola M.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V.","Fluoral Hydrate: A Perspective Substrate for the Castagnoli-Cushman Reaction.","ACS omega","2020","5","33","20932","20942","10.1021/acsomega.0c02394","","","0.71073","MoKα","","0.0821","0.0462","","","0.0893","0.102","","","","","","1.063","","","","has coordinates","255861","2020-10-21","18:00:00",""
"4517959","10.547","0.003","9.089","0.002","10.569","0.003","90","","117.789","0.008","90","","896.3","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 F3 N O4 -","- C20 H18 F3 N O4 -","- C40 H36 F6 N2 O8 -","2","1","","Adamovskyi, Mykhailo I.; Avramenko, Mykola M.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V.","Fluoral Hydrate: A Perspective Substrate for the Castagnoli-Cushman Reaction.","ACS omega","2020","5","33","20932","20942","10.1021/acsomega.0c02394","","","0.71073","MoKα","","0.0816","0.0474","","","0.0793","0.0907","","","","","","0.987","","","","has coordinates","255861","2020-10-21","18:00:00",""
"4517960","7.6889","0.0007","9.7991","0.0011","11.4575","0.0012","98.579","0.009","100.505","0.008","112.749","0.009","759.44","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 N2 -","- C20 H18 N2 -","- C40 H36 N4 -","2","1","","Kumar, Inder; Gupta, Shiv Shankar; Kumar, Rakesh; Kumar, Rohit; Agrawal, Prakhar; Sahal, Dinkar; Sharma, Upendra","Photocatalytic Unsymmetrical Coupling of 2-Substituted Quinolines: Synthesis and Evaluation of the Antiplasmodial Potential of β-Norbenzomorphan Frameworks","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03415","","x-ray","1.54184","CuKα","","0.0654","0.0486","","","0.1305","0.1495","","","","","","1.021","","","","has coordinates","255408","2020-10-21","18:00:00",""
"4517961","12.2976","0.001","15.1864","0.001","17.2929","0.0007","98.138","0.004","108.822","0.005","105.573","0.007","2850.9","0.4","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C84 H64 Eu5 N2 O47.5 -","- C84 H64 Eu5 N2 O47.5 -","- C84 H64 Eu5 N2 O47.5 -","1","0.5","","Dong, Jie; Hou, Sheng-Li; Zhao, Bin","Bimetallic Lanthanide-Organic Framework Membranes as a Self-Calibrating Luminescent Sensor for Rapidly Detecting Antibiotics in Water.","ACS applied materials & interfaces","2020","12","34","38124","38131","10.1021/acsami.0c09940","","x-ray","0.71073","MoKα","","0.1102","0.0777","","","0.209","0.2426","","","","","","1.045","","","","has coordinates","255858","2020-10-21","18:00:00",""
"4517962","14.7578","0.0005","13.4002","0.0005","25.2603","0.0009","90","","90","","90","","4995.4","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H31 Br2 N3 Pd -","- C25 H31 Br2 N3 Pd -","- C200 H248 Br16 N24 Pd8 -","8","1","","Mansour, Waseem; Suleiman, Rami; Fettouhi, Mohammed; El Ali, Bassam","Soft Heteroleptic N-Heterocyclic Carbene Palladium(II) Species for Efficient Catalytic Routes to Alkynones via Carbonylative Sonogashira Coupling","ACS Omega","2020","","","","","10.1021/acsomega.0c02413","","","0.71073","MoKα","","0.0551","0.03","","","0.0632","0.0748","","","","","","1.046","","","","has coordinates","255424","2020-10-21","18:00:00",""
"4517963","7.0473","0.0011","9.0925","0.0016","10.9446","0.0019","95.726","0.006","103.104","0.005","101.05","0.005","662.8","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 N2 -","- C17 H20 N2 -","- C34 H40 N4 -","2","1","","Mansour, Waseem; Suleiman, Rami; Fettouhi, Mohammed; El Ali, Bassam","Soft Heteroleptic N-Heterocyclic Carbene Palladium(II) Species for Efficient Catalytic Routes to Alkynones via Carbonylative Sonogashira Coupling","ACS Omega","2020","","","","","10.1021/acsomega.0c02413","","","0.71073","MoKα","","0.0928","0.0576","","","0.1398","0.1603","","","","","","1.06","","","","has coordinates","295835","2024-11-08","15:48:26",""
"4517964","14.9361","0.0011","11.3341","0.0009","20.2385","0.0016","90","","100.857","0.002","90","","3364.8","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 Br N2 O -","- C17 H21 Br N2 O -","- C136 H168 Br8 N16 O8 -","8","1","","Mansour, Waseem; Suleiman, Rami; Fettouhi, Mohammed; El Ali, Bassam","Soft Heteroleptic N-Heterocyclic Carbene Palladium(II) Species for Efficient Catalytic Routes to Alkynones via Carbonylative Sonogashira Coupling","ACS Omega","2020","","","","","10.1021/acsomega.0c02413","","","0.71073","MoKα","","0.0877","0.0562","","","0.1522","0.1706","","","","","","1.061","","","","has coordinates","255426","2020-10-21","18:00:00",""
"4517965","10.3429","0.0008","16.4241","0.0013","10.7998","0.0008","90","","104.481","0.002","90","","1776.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 Br N2 -","- C20 H27 Br N2 -","- C80 H108 Br4 N8 -","4","1","","Mansour, Waseem; Suleiman, Rami; Fettouhi, Mohammed; El Ali, Bassam","Soft Heteroleptic N-Heterocyclic Carbene Palladium(II) Species for Efficient Catalytic Routes to Alkynones via Carbonylative Sonogashira Coupling","ACS Omega","2020","","","","","10.1021/acsomega.0c02413","","","0.71073","MoKα","","0.1028","0.0492","","","0.0876","0.1046","","","","","","1.056","","","","has coordinates","255427","2020-10-21","18:00:00",""
"4517966","13.873","0.005","10.292","0.004","16.064","0.006","90","","96.63","0.011","90","","2278.3","1.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 Br2 N3 Pd -","- C22 H23 Br2 N3 Pd -","- C88 H92 Br8 N12 Pd4 -","4","1","","Mansour, Waseem; Suleiman, Rami; Fettouhi, Mohammed; El Ali, Bassam","Soft Heteroleptic N-Heterocyclic Carbene Palladium(II) Species for Efficient Catalytic Routes to Alkynones via Carbonylative Sonogashira Coupling","ACS Omega","2020","","","","","10.1021/acsomega.0c02413","","","0.71073","MoKα","","0.2969","0.1754","","","0.4189","0.5053","","","","","","1.058","","","","has coordinates","255428","2020-10-21","18:00:00",""
"4517967","14.485","0.003","16.26","0.004","17.548","0.004","84.689","0.003","89.852","0.003","71.719","0.003","3906","1.5","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H60 B2 Ir N O4 P2 -","- C36 H60 B2 Ir N O4 P2 -","- C144 H240 B8 Ir4 N4 O16 P8 -","4","2","","Foley, Bryan J.; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Combined Experimental and Computational Studies of the Mechanism of Dehydrogenative Borylation of Terminal Alkynes Catalyzed by PNP Complexes of Iridium","ACS Catalysis","2020","","","9824","9836","10.1021/acscatal.0c02455","","","0.71073","MoKα","","0.0724","0.0444","","","0.1082","0.1153","","","","","","1.087","","","","has coordinates,has disorder","256986","2020-10-21","18:00:00",""
"4517968","11.1225","0.0001","15.3457","0.0002","28.5934","0.0003","90","","97.894","0.001","90","","4834.15","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Cl2 N3 O2 -","- C27 H23 Cl2 N3 O2 -","- C216 H184 Cl16 N24 O16 -","8","2","","Lai, Xiangfeng; Che, Chao","Synthesis of Chromeno[4,3-b]pyrrol-4(1H)-ones through a Multicomponent Reaction and Cyclization Strategy","ACS Omega","2020","5","34","21968","21977","10.1021/acsomega.0c03589","","x-ray","1.54184","CuKα","","0.0493","0.0437","","","0.1148","0.1213","","","","","","1.021","","","","has coordinates,has disorder","257073","2020-10-21","18:00:00",""
"4517969","7.4091","0.0007","28.528","0.003","7.5842","0.0008","90","","119.424","0.007","90","","1396.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 F2 N S -","- C7 H3 F2 N S -","- C56 H24 F16 N8 S8 -","8","2","","Werner, Philipp; Wächter, Tobias; Asyuda, Andika; Wiesner, Adrian; Kind, Martin; Bolte, Michael; Weinhardt, Lothar; Terfort, Andreas; Zharnikov, Michael","Electron Transfer Dynamics and Structural Effects in Benzonitrile Monolayers with Tuned Dipole Moments by Differently Positioned Fluorine Atoms.","ACS applied materials & interfaces","2020","12","35","39859","39869","10.1021/acsami.0c10513","","","0.71073","MoKα","","0.072","0.0446","","","0.1028","0.1131","","","","","","0.972","","","","has coordinates","256985","2020-10-21","18:00:00",""
"4517970","7.868","0.0008","7.3367","0.0005","16.4544","0.0017","90","","99","0.008","90","","938.14","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 F2 N O Se -","- C9 H5 F2 N O Se -","- C36 H20 F8 N4 O4 Se4 -","4","1","","Werner, Philipp; Wächter, Tobias; Asyuda, Andika; Wiesner, Adrian; Kind, Martin; Bolte, Michael; Weinhardt, Lothar; Terfort, Andreas; Zharnikov, Michael","Electron Transfer Dynamics and Structural Effects in Benzonitrile Monolayers with Tuned Dipole Moments by Differently Positioned Fluorine Atoms.","ACS applied materials & interfaces","2020","12","35","39859","39869","10.1021/acsami.0c10513","","","0.71073","MoKα","","0.0519","0.0457","","","0.1209","0.1247","","","","","","1.152","","","","has coordinates","256985","2020-10-21","18:00:00",""
"4517971","7.3939","0.0014","14.805","0.003","6.9469","0.0012","90","","115.779","0.013","90","","684.8","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H3 F2 N S -","- C7 H3 F2 N S -","- C28 H12 F8 N4 S4 -","4","0.5","","Werner, Philipp; Wächter, Tobias; Asyuda, Andika; Wiesner, Adrian; Kind, Martin; Bolte, Michael; Weinhardt, Lothar; Terfort, Andreas; Zharnikov, Michael","Electron Transfer Dynamics and Structural Effects in Benzonitrile Monolayers with Tuned Dipole Moments by Differently Positioned Fluorine Atoms.","ACS applied materials & interfaces","2020","12","35","39859","39869","10.1021/acsami.0c10513","","","0.71073","MoKα","","0.0439","0.0399","","","0.1106","0.113","","","","","","1.179","","","","has coordinates","256985","2020-10-21","18:00:00",""
"4517972","6.834","0.0013","7.0649","0.0012","8.086","0.0014","71.016","0.013","79.716","0.014","68.033","0.013","341.65","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H3 F2 N S -","- C7 H3 F2 N S -","- C14 H6 F4 N2 S2 -","2","1","","Werner, Philipp; Wächter, Tobias; Asyuda, Andika; Wiesner, Adrian; Kind, Martin; Bolte, Michael; Weinhardt, Lothar; Terfort, Andreas; Zharnikov, Michael","Electron Transfer Dynamics and Structural Effects in Benzonitrile Monolayers with Tuned Dipole Moments by Differently Positioned Fluorine Atoms.","ACS applied materials & interfaces","2020","12","35","39859","39869","10.1021/acsami.0c10513","","","0.71073","MoKα","","0.0324","0.0303","","","0.084","0.0852","","","","","","1.109","","","","has coordinates","256985","2020-10-21","18:00:00",""
"4517973","12.2427","0.0009","13.5652","0.001","17.6056","0.0012","90","","90","","90","","2923.8","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C128 H200 N8 O16 -","8","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0632","0.047","","","0.1032","0.1094","","","","","","1.035","","","","has coordinates","255512","2020-10-21","18:00:00",""
"4517974","26.8597","0.0003","26.8597","0.0003","14.4115","0.0002","90","","90","","120","","9004.14","0.19","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C19 H31 N O2 -","- C19 H31 N O2 -","- C342 H558 N18 O36 -","18","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0428","0.0366","","","0.0952","0.0985","","","","","","1.073","","","","has coordinates","255512","2020-10-21","18:00:00",""
"4517975","8.857","0.0012","9.1079","0.0012","13.0615","0.0017","77.457","0.002","89.145","0.002","63.858","0.002","919.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C42 H54 N2 O4 -","2","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0564","0.0437","","","0.1132","0.1188","","","","","","1.046","","","","has coordinates","255512","2020-10-21","18:00:00",""
"4517976","8.6116","0.0007","10.8216","0.0009","11.6061","0.0009","75.729","0.002","88.021","0.002","68.159","0.002","971","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C44 H58 N2 O4 -","2","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0549","0.0445","","","0.1216","0.1271","","","","","","1.056","","","","has coordinates","255512","2020-10-21","18:00:00",""
"4517977","10.612","0.0005","17.6733","0.0009","11.5549","0.0006","90","","115.593","0.0009","90","","1954.48","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C88 H116 N4 O12 -","4","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0495","0.0398","","","0.104","0.1092","","","","","","1.039","","","","has coordinates","255512","2020-10-21","18:00:00",""
"4517978","5.8795","0.0003","9.886","0.0005","17.5739","0.0009","103.003","0.002","90.612","0.002","101.395","0.002","974.04","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C42 H52 N4 O8 -","2","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0558","0.0427","","","0.1164","0.1253","","","","","","1.026","","","","has coordinates","255512","2020-10-21","18:00:00",""
"4517979","8.8839","0.0005","9.2186","0.0005","12.9607","0.0008","77.527","0.001","89.442","0.001","63.762","0.001","925.14","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 F N O2 -","- C21 H26 F N O2 -","- C42 H52 F2 N2 O4 -","2","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0578","0.0456","","","0.1244","0.1335","","","","","","1.033","","","","has coordinates","255512","2020-10-21","18:00:00",""
"4517980","8.9789","0.0004","9.004","0.0004","13.8615","0.0006","73.5058","0.0009","87.9508","0.0009","63.4794","0.0008","956.04","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 Cl N O2 -","- C21 H26 Cl N O2 -","- C42 H52 Cl2 N2 O4 -","2","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0348","0.0328","","","0.0927","0.0945","","","","","","1.03","","","","has coordinates","255512","2020-10-21","18:00:00",""
"4517981","8.374","0.002","16.994","0.003","14.253","0.003","90","","102.068","0.007","90","","1983.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Br N O2 -","- C21 H26 Br N O2 -","- C84 H104 Br4 N4 O8 -","4","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0375","0.0299","","","0.0734","0.0762","","","","","","1.043","","","","has coordinates","255512","2020-10-21","18:00:00",""
"4517982","9.2088","0.0006","10.4986","0.0006","12.2461","0.0007","92.3307","0.0012","109.11","0.0012","115.18","0.0011","989.72","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 I N O2 -","- C21 H26 I N O2 -","- C42 H52 I2 N2 O4 -","2","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0217","0.0203","","","0.0509","0.0516","","","","","","1.062","","","","has coordinates","255512","2020-10-21","18:00:00",""
"4517983","23","0.5","24.8","0.5","30.1","0.6","90","","90","","90","","17169","6","293","2","293","2","","","","","","","","4","C c m e","-C 2ac 2ac","64","","","","- Al6.38 Ca3 O33 Si9.62 -","- Al6.4 Ca3 O33 Si9.6 -","- Al102.4 Ca48 O528 Si153.6 -","16","1","","Mugnaioli, Enrico; Lanza, Arianna E.; Bortolozzi, Giorgio; Righi, Lara; Merlini, Marco; Cappello, Valentina; Marini, Lara; Athanassiou, Athanassia; Gemmi, Mauro","Electron Diffraction on Flash-Frozen Cowlesite Reveals the Structure of the First Two-Dimensional Natural Zeolite","ACS Central Science","2020","","","","","10.1021/acscentsci.9b01100","","","0.0335","electron","","0.4471","0.4423","","","0.7412","0.7424","","","","","","3.954","","","","has coordinates","255628","2020-10-21","18:00:00",""
"4517984","23","0.5","24.4","0.5","25.4","0.5","90","","90","","90","","14254","5","293","2","293","2","","","","","","","","4","C c m e","-C 2ac 2ac","64","","","","- Al6.38 Ca1.5 O32 Si9.62 -","- Al6.4 Ca1.5 O32 Si9.6 -","- Al102.4 Ca24 O512 Si153.6 -","16","1","","Mugnaioli, Enrico; Lanza, Arianna E.; Bortolozzi, Giorgio; Righi, Lara; Merlini, Marco; Cappello, Valentina; Marini, Lara; Athanassiou, Athanassia; Gemmi, Mauro","Electron Diffraction on Flash-Frozen Cowlesite Reveals the Structure of the First Two-Dimensional Natural Zeolite","ACS Central Science","2020","","","","","10.1021/acscentsci.9b01100","","","0.0335","electron","","0.4698","0.4637","","","0.7578","0.7651","","","","","","3.626","","","","has coordinates","255629","2020-10-21","18:00:00",""
"4517985","7.3175","0.001","11.8808","0.001","40.778","0.007","90","","90","","90","","3545.1","0.8","300","","300","","","","","","","","","3","P b c a","-P 2ac 2ab","61","avobenzone_form_2","1-(4-Methoxyphenyl)-3-(4-tert-butylphenyl)propane-1,3-dione","","- C20 H22 O3 -","- C20 H22 O3 -","- C160 H176 O24 -","8","1","","d’Agostino, Simone; Azzali, Alessandra; Casali, Lucia; Taddei, Paola; Grepioni, Fabrizia","Environmentally Friendly Sunscreens: Mechanochemical Synthesis and Characterization of β-CD Inclusion Complexes of Avobenzone and Octinoxate with Improved Photostability","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c02735","","x-ray","0.71073","MoKα","","0.2632","0.0761","","","0.0928","0.1399","","","","","","0.96","","","","has coordinates,has disorder","255631","2020-10-21","18:00:00",""
"4517986","10.734","0.0003","10.815","0.0002","13.738","0.0004","67.142","0.001","85.858","0.001","73.156","0.002","1405.06","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Fe2 N4 O5 -","- C32 H28 Fe2 N4 O5 -","- C64 H56 Fe4 N8 O10 -","2","1","","Provis-Evans, Cei B.; Lau, Samantha; Krewald, Vera; Webster, Ruth L.","Regioselective Alkyne Cyclotrimerization with an In Situ-Generated [Fe(II)H(salen)]·Bpin Catalyst","ACS Catalysis","2020","","","10157","10168","10.1021/acscatal.0c03068","","","0.71073","MoKα","","0.0672","0.0404","","","0.0837","0.0933","","","","","","1.035","","","","has coordinates","257037","2020-10-21","18:00:00",""
"4517987","11.2862","0.0003","9.2093","0.0002","13.1111","0.0003","90","","109.258","0.003","90","","1286.49","0.06","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Zhang, Zhijie; Yi, Dong; Zhang, Min; Wei, Jun; Lu, Ji; Yang, Lin; Wang, Jun; Hao, Na; Pan, Xianchao; Zhang, Shiqi; Wei, Siping; Fu, Qiang","Photocatalytic Intramolecular [2 + 2] Cycloaddition of Indole Derivatives via Energy Transfer: A Method for Late-Stage Skeletal Transformation","ACS Catalysis","2020","","","10149","10156","10.1021/acscatal.0c01841","","x-ray","1.54184","CuKα","","0.0581","0.0547","","","0.1418","0.1461","","","","","","1.054","","","","has coordinates","257054","2020-10-21","18:00:00",""
"4517988","8.31074","0.00018","13.9007","0.0003","8.8665","0.0002","90","","96.992","0.002","90","","1016.69","0.04","289.9","0.8","289.9","0.8","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Zhang, Zhijie; Yi, Dong; Zhang, Min; Wei, Jun; Lu, Ji; Yang, Lin; Wang, Jun; Hao, Na; Pan, Xianchao; Zhang, Shiqi; Wei, Siping; Fu, Qiang","Photocatalytic Intramolecular [2 + 2] Cycloaddition of Indole Derivatives via Energy Transfer: A Method for Late-Stage Skeletal Transformation","ACS Catalysis","2020","","","10149","10156","10.1021/acscatal.0c01841","","x-ray","1.54184","CuKα","","0.0584","0.055","","","0.1432","0.1487","","","","","","1.037","","","","has coordinates","257054","2020-10-21","18:00:00",""
"4517989","23.7778","0.0005","23.7778","0.0005","15.0626","0.0004","90","","90","","120","","7375.2","0.3","293","2","293","2","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- C18 N12 -","- C18 N12 -","- C324 N216 -","18","0.5","","Yadav, Ashok; Panda, Dillip K.; Zhang, Shiyu; Zhou, Wei; Saha, Sourav","Electrically Conductive 3D Metal-Organic Framework Featuring π-Acidic Hexaazatriphenylene Hexacarbonitrile Ligands with Anion-π Interaction and Efficient Charge-Transport Capabilities.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c12388","","","0.71073","MoKα","","0.0782","0.0622","","","0.1427","0.151","","","","","","1.181","","","","has coordinates","255715","2020-10-21","18:00:00",""
"4517990","13.049","0.0006","13.049","0.0006","39.4798","0.0018","90","","90","","90","","6722.5","0.5","165","2","165","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C11 H3 Ag F3 N7 O5 S -","- C11 H3 Ag F3 N7 O5 S -","- C176 H48 Ag16 F48 N112 O80 S16 -","16","1","","Yadav, Ashok; Panda, Dillip K.; Zhang, Shiyu; Zhou, Wei; Saha, Sourav","Electrically Conductive 3D Metal-Organic Framework Featuring π-Acidic Hexaazatriphenylene Hexacarbonitrile Ligands with Anion-π Interaction and Efficient Charge-Transport Capabilities.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c12388","","","0.71073","MoKα","","0.033","0.0303","","","0.0751","0.0768","","","","","","1.058","","","","has coordinates,has disorder","255716","2020-10-21","18:00:00",""
"4517991","8.5597","0.0014","9.5439","0.0015","14.732","0.002","90","","105.399","0.016","90","","1160.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 F N O -","- C14 H12 F N O -","- C56 H48 F4 N4 O4 -","4","1","","Su, Jianke; Ma, Xingxing; Ou, Zongliang; Song, Qiuling","Deconstructive Functionalizations of Unstrained Carbon‒Nitrogen Cleavage Enabled by Difluorocarbene","ACS Central Science","2020","","","","","10.1021/acscentsci.0c00779","","x-ray","0.71073","MoKα","","0.0833","0.0499","","","0.1305","0.1509","","","","","","0.851","","","","has coordinates","255756","2020-10-21","18:00:00",""
"4517992","9.9709","0.0001","9.9709","0.0001","26.4892","0.0005","90","","90","","90","","2633.53","0.06","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H31 In N2 O16 -","- C24 H31 In N2 O16 -","- C96 H124 In4 N8 O64 -","4","0.25","","Gao, Hui; He, Yan-Bin; Hou, Juan-Juan; Zhai, Quan-Guo; Zhang, Xian-Ming","Enhanced Proton Conductivity by Aliovalent Substitution of Cadmium for Indium in Dimethylaminium-Templated Metal Anilicates.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c13125","","","1.54184","CuKα","","0.0508","0.0491","","","0.1324","0.1338","","","","","","1.106","","","","has coordinates,has disorder","255825","2020-10-21","18:00:00",""
"4517993","9.3492","0.0001","9.3492","0.0001","28.4254","0.0006","90","","90","","90","","2484.59","0.06","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H32 Cd N2 O16 -","- C24 H32 Cd N2 O16 -","- C96 H128 Cd4 N8 O64 -","4","0.25","","Gao, Hui; He, Yan-Bin; Hou, Juan-Juan; Zhai, Quan-Guo; Zhang, Xian-Ming","Enhanced Proton Conductivity by Aliovalent Substitution of Cadmium for Indium in Dimethylaminium-Templated Metal Anilicates.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c13125","","","1.54178","CuKα","","0.0383","0.0362","","","0.0917","0.0931","","","","","","1.166","","","","has coordinates,has disorder","255826","2020-10-21","18:00:00",""
"4517994","14.963","0.003","12.0779","0.0015","28.792","0.005","90","","105.06","","90","","5024.6","1.5","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H34 Si2 -","- C27 H34 Si2 -","- C216 H272 Si16 -","8","1","","Lv, Weiwei; Liu, Shihan; Chen, Yanhui; Wen, Si; Lan, Yu; Cheng, Guolin","Palladium-Catalyzed Intermolecular Trans-Selective Carbofunctionalization of Internal Alkynes to Highly Functionalized Alkenes","ACS Catalysis","2020","","","10516","","10.1021/acscatal.0c02522","","","0.71073","MoKα","","0.1276","0.0608","","","0.0973","0.1229","","","","","","0.923","","","","has coordinates","255827","2020-10-21","18:00:00",""
"4517995","11.0772","0.0016","15.556","0.002","14.641","0.002","90","","110.201","0.017","90","","2367.7","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 O2 -","- C30 H28 O2 -","- C120 H112 O8 -","4","1","","Lv, Weiwei; Liu, Shihan; Chen, Yanhui; Wen, Si; Lan, Yu; Cheng, Guolin","Palladium-Catalyzed Intermolecular Trans-Selective Carbofunctionalization of Internal Alkynes to Highly Functionalized Alkenes","ACS Catalysis","2020","","","10516","","10.1021/acscatal.0c02522","","","0.71073","MoKα","","0.1171","0.069","","","0.1233","0.143","","","","","","1.054","","","","has coordinates","255828","2020-10-21","18:00:00",""
"4517996","10.1184","0.0006","15.462","0.0008","21.5377","0.001","71.492","0.002","78.041","0.002","81.087","0.002","3111.5","0.3","173","","173","","","","","","","","","9","P -1","-P 1","2","","","","- C52 H99 B Fe Mo N11 O P Si3 -","- C52 H99 B Fe Mo N11 O P Si3 -","- C104 H198 B2 Fe2 Mo2 N22 O2 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1333","0.0749","","0.2009","0.1655","0.2009","","","","","","0.971","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4517997","19.4151","0.0009","12.4197","0.0005","12.5653","0.0005","90","","90","","90","","3029.9","0.2","173","","173","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H48 Mo N5 P Si4 -","- C18 H48 Mo N5 P Si4 -","- C72 H192 Mo4 N20 P4 Si16 -","4","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.0349","0.0288","","0.0657","0.0626","0.0657","","","","","","0.9885","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4517998","25.3056","0.0015","19.7149","0.0015","13.1491","0.0008","90","","106.942","0.004","90","","6275.3","0.7","173","2","173.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C49 H72 Mo N5 P4 Rh Si3 -","- C49 H72 Mo N5 P4 Rh Si3 -","- C196 H288 Mo4 N20 P16 Rh4 Si12 -","4","0.5","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.0974","0.0618","","","0.1594","0.1944","","","","","","1.09","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4517999","15.583","0.0006","15.7178","0.0007","20.182","0.0009","90.53","0.001","102.107","0.001","114.559","0.001","4370.1","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C74.94 H143.76 B Fe Mo N14 O0.56 P Si3 -","- C74.937 H143.748 B Fe Mo N14 O0.563 P Si3 -","- C149.874 H287.496 B2 Fe2 Mo2 N28 O1.126 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1089","0.0712","","","0.1811","0.2153","","","","","","1.072","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518000","15.5835","0.0006","15.7173","0.0007","20.184","0.0009","90.529","0.001","102.106","0.001","114.564","0.001","4370.4","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C74.94 H143.76 B Fe Mo N14 O0.56 P Si3 -","- C74.938 H143.752 B Fe Mo N14 O0.562 P Si3 -","- C149.876 H287.504 B2 Fe2 Mo2 N28 O1.124 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1095","0.0713","","","0.1808","0.216","","","","","","1.069","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518001","15.5829","0.0006","15.7156","0.0007","20.1841","0.0009","90.527","0.001","102.106","0.001","114.566","0.001","4369.7","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75 H144.01 B Fe Mo N14 O0.5 P Si3 -","- C75.002 H144.008 B Fe Mo N14 O0.498 P Si3 -","- C150.004 H288.016 B2 Fe2 Mo2 N28 O0.996 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.0979","0.0628","","","0.1754","0.199","","","","","","1.026","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518002","15.5851","0.0006","15.7181","0.0007","20.1884","0.0009","90.525","0.001","102.11","0.001","114.568","0.001","4371.8","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75 H144 B Fe Mo N14 O0.5 P Si3 -","- C75.001 H144.004 B Fe Mo N14 O0.499 P Si3 -","- C150.002 H288.008 B2 Fe2 Mo2 N28 O0.998 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1108","0.0707","","","0.1961","0.2312","","","","","","1.077","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518003","15.5853","0.0006","15.718","0.0007","20.1871","0.0009","90.525","0.001","102.105","0.001","114.569","0.001","4371.6","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C74.99 H143.98 B Fe Mo N14 O0.51 P Si3 -","- C74.994 H143.976 B Fe Mo N14 O0.506 P Si3 -","- C149.988 H287.952 B2 Fe2 Mo2 N28 O1.012 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1118","0.0712","","","0.1974","0.2322","","","","","","1.078","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518004","15.5855","0.0006","15.7156","0.0007","20.2048","0.0009","90.537","0.001","102.134","0.001","114.548","0.001","4374.9","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C74.96 H143.82 B Fe Mo N14 O0.54 P Si3 -","- C74.957 H143.828 B Fe Mo N14 O0.543 P Si3 -","- C149.914 H287.656 B2 Fe2 Mo2 N28 O1.086 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1115","0.073","","","0.1876","0.2238","","","","","","1.058","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518005","15.5883","0.0006","15.7107","0.0007","20.2311","0.0009","90.545","0.001","102.223","0.001","114.537","0.001","4378.5","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75.03 H144.11 B Fe Mo N14 O0.47 P Si3 -","- C75.031 H144.124 B Fe Mo N14 O0.469 P Si3 -","- C150.062 H288.248 B2 Fe2 Mo2 N28 O0.938 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.115","0.0719","","","0.1964","0.2309","","","","","","1.066","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518006","15.5911","0.0006","15.7056","0.0007","20.2558","0.0009","90.557","0.001","102.29","0.001","114.548","0.001","4381.3","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C74.98 H143.92 B Fe Mo N14 O0.52 P Si3 -","- C74.981 H143.924 B Fe Mo N14 O0.519 P Si3 -","- C149.962 H287.848 B2 Fe2 Mo2 N28 O1.038 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1116","0.0721","","","0.186","0.2224","","","","","","1.058","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518007","15.5964","0.0007","15.705","0.0007","20.2728","0.001","90.555","0.001","102.339","0.001","114.568","0.001","4384.6","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75.04 H144.17 B Fe Mo N14 O0.46 P Si3 -","- C75.045 H144.18 B Fe Mo N14 O0.455 P Si3 -","- C150.09 H288.36 B2 Fe2 Mo2 N28 O0.91 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1172","0.0733","","","0.1988","0.2361","","","","","","1.058","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518008","15.5984","0.0007","15.7039","0.0007","20.2878","0.001","90.557","0.001","102.371","0.001","114.583","0.001","4386.8","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75.04 H144.15 B Fe Mo N14 O0.46 P Si3 -","- C75.037 H144.148 B Fe Mo N14 O0.463 P Si3 -","- C150.074 H288.296 B2 Fe2 Mo2 N28 O0.926 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1188","0.0739","","","0.1999","0.2369","","","","","","1.061","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518009","15.6007","0.0007","15.7039","0.0007","20.3019","0.001","90.554","0.001","102.407","0.001","114.596","0.001","4389.3","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75.05 H144.18 B Fe Mo N14 O0.45 P Si3 -","- C75.044 H144.176 B Fe Mo N14 O0.456 P Si3 -","- C150.088 H288.352 B2 Fe2 Mo2 N28 O0.912 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1211","0.0744","","","0.1997","0.2388","","","","","","1.04","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518010","15.6017","0.0011","15.7015","0.0012","20.3141","0.0016","90.572","0.002","102.466","0.002","114.617","0.002","4389.3","0.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75.05 H144.21 B Fe Mo N14 O0.45 P Si3 -","- C75.05 H144.2 B Fe Mo N14 O0.45 P Si3 -","- C150.1 H288.4 B2 Fe2 Mo2 N28 O0.9 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1278","0.0772","","","0.2077","0.2502","","","","","","1.023","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518011","19.771","0.009","13.978","0.006","16.975","0.008","90","","90.001","","90","","4691","4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H72 N15 P3 -","- C39 H72 N15 P3 -","- C156 H288 N60 P12 -","4","1","","Wang, Lebin; Zhang, Jinbo; Zhao, Na; Ren, Chuanli; Liu, Shaofeng; Li, Zhibo","Synthesis of Tris-Phosphazene Bases with Triazine as Core and Their Applications for Efficient Ring-Opening Alternating Copolymerization of Epoxide and Anhydride: Notable Effect of Basicity and Molecular Size","ACS Macro Letters","2020","9","9","1398","1402","10.1021/acsmacrolett.0c00564","","","0.71073","MoKα","","0.139","0.074","","","0.1811","0.2069","","","","","","0.88","","","","has coordinates","257085","2020-10-21","18:00:00",""
"4518012","23.6761","0.0012","7.0053","0.0003","22.401","0.0012","90","","117.192","0.001","90","","3304.8","0.3","193","2","193","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C21 H54 N15 P3 -","- C21 H54 N15 P3 -","- C84 H216 N60 P12 -","4","1","","Wang, Lebin; Zhang, Jinbo; Zhao, Na; Ren, Chuanli; Liu, Shaofeng; Li, Zhibo","Synthesis of Tris-Phosphazene Bases with Triazine as Core and Their Applications for Efficient Ring-Opening Alternating Copolymerization of Epoxide and Anhydride: Notable Effect of Basicity and Molecular Size","ACS Macro Letters","2020","9","9","1398","1402","10.1021/acsmacrolett.0c00564","","","0.71073","MoKα","","0.0638","0.0454","","","0.1043","0.1154","","","","","","1.052","","","","has coordinates","257085","2020-10-21","18:00:00",""
"4518013","7.301","0.005","20.365","0.015","24.831","0.018","90","","90","","90","","3692","5","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C24 H14 Co N12 O8 -","- C24 H14 Co N12 O8 -","- C96 H56 Co4 N48 O32 -","4","0.5","","Li, Yong-Zhi; Wang, Gang-Ding; Shi, Wen-Juan; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua","Efficient C<sub>2</sub>H<i> <sub>n</sub> </i> Hydrocarbons and VOC Adsorption and Separation in an MOF with Lewis Basic and Acidic Decorated Active Sites.","ACS applied materials & interfaces","2020","12","37","41785","41793","10.1021/acsami.0c12992","","","0.71073","MoKα","","0.1065","0.0574","","","0.1448","0.172","","","","","","1","","","","has coordinates","256980","2020-10-21","18:00:00",""
"4518014","17.1459","0.0006","19.6957","0.0008","21.0108","0.0008","93.42","0.003","112.713","0.003","112.979","0.003","5837.9","0.5","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C110 H72 F12 N10 O2 P2 Ru2 -","- C110 H72 F12 N10 O2 P2 Ru2 -","- C220 H144 F24 N20 O4 P4 Ru4 -","2","1","","Rajabi, Sheida; Ebrahimi, Fatemeh; Lole, Gaurav; Odrobina, Jann; Dechert, Sebastian; Jooss, Christian; Meyer, Franc","Water Oxidizing Diruthenium Electrocatalysts Immobilized on Carbon Nanotubes: Effects of the Number and Positioning of Pyrene Anchors","ACS Catalysis","2020","","","10614","","10.1021/acscatal.0c01577","","","0.71073","MoKα","","0.1143","0.0685","","","0.1511","0.1682","","","","","","0.977","","","","has coordinates,has disorder","255897","2020-10-21","18:00:00",""
"4518015","14.2194","0.0003","20.0432","0.0004","26.3213","0.0006","83.352","0.002","79.323","0.002","87.701","0.002","7320.9","0.3","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C70.5 H58 F12 N10 O3 P2 Ru2 -","- C70.5 H58 F12 N10 O3 P2 Ru2 -","- C282 H232 F48 N40 O12 P8 Ru8 -","4","2","","Rajabi, Sheida; Ebrahimi, Fatemeh; Lole, Gaurav; Odrobina, Jann; Dechert, Sebastian; Jooss, Christian; Meyer, Franc","Water Oxidizing Diruthenium Electrocatalysts Immobilized on Carbon Nanotubes: Effects of the Number and Positioning of Pyrene Anchors","ACS Catalysis","2020","","","10614","","10.1021/acscatal.0c01577","","","0.71073","MoKα","","0.0637","0.0437","","","0.1028","0.1126","","","","","","1.012","","","","has coordinates,has disorder","255897","2020-10-21","18:00:00",""
"4518016","10.9602","0.0004","14.7542","0.0006","18.1626","0.0007","90","","94.857","0.001","90","","2926.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 N2 O4 S2 -","- C32 H32 N2 O4 S2 -","- C128 H128 N8 O16 S8 -","4","1","","Qian, Xiaolin; Zhou, Hui; Chaminda Lakmal, Hetti Handi; Lucore, James; Wang, Xuesong; Valle, Henry U.; Donnadieu, Bruno; Xu, Xue; Cui, Xin","Fe(III)-Based Tandem Catalysis for Amidomethylative Multiple Substitution Reactions of α-Substituted Styrene Derivatives","ACS Catalysis","2020","","","10627","","10.1021/acscatal.0c02676","","","1.54178","CuKα","","0.0344","0.0328","","","0.0933","0.0998","","","","","","1.094","","","","has coordinates","255898","2020-10-21","18:00:00",""
"4518017","9.95","0.002","10.42","0.002","13.328","0.003","73.734","0.007","83.867","0.006","67.198","0.006","1222.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N2 O4 S2 -","- C26 H28 N2 O4 S2 -","- C52 H56 N4 O8 S4 -","2","1","","Qian, Xiaolin; Zhou, Hui; Chaminda Lakmal, Hetti Handi; Lucore, James; Wang, Xuesong; Valle, Henry U.; Donnadieu, Bruno; Xu, Xue; Cui, Xin","Fe(III)-Based Tandem Catalysis for Amidomethylative Multiple Substitution Reactions of α-Substituted Styrene Derivatives","ACS Catalysis","2020","","","10627","","10.1021/acscatal.0c02676","","","0.71073","MoKα","","0.0336","0.0308","","","0.0808","0.0828","","","","","","1.045","","","","has coordinates","255899","2020-10-21","18:00:00",""
"4518018","18.595","0.01","18.595","0.01","23.048","0.019","90","","90","","120","","6902","8","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C66 H48 N12 Ni -","- C66 H48 N12 Ni -","- C198 H144 N36 Ni3 -","3","0.166667","","Dutta, Subhajit; Samanta, Partha; Joarder, Biplab; Let, Sumanta; Mahato, Debanjan; Babarao, Ravichandar; Ghosh, Sujit K.","A Water-Stable Cationic Metal-Organic Framework with Hydrophobic Pore Surfaces as an Efficient Scavenger of Oxo-Anion Pollutants from Water.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c13563","","","0.71073","MoKα","","0.217","0.133","","","0.3093","0.3549","","","","","","1.213","","","","has coordinates","255929","2020-10-21","18:00:00",""
"4518019","18.5098","0.0003","17.0448","0.0003","25.1287","0.0005","90","","92.677","0.002","90","","7919.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H48 Co2 N6 O18 S3 -","- C58 H48 Co2 N6 O18 S3 -","- C232 H192 Co8 N24 O72 S12 -","4","1","","Esrafili, Leili; Morsali, Ali; Dehghani Firuzabadi, Fahimeh; Retailleau, Pascal","Development of Porous Cobalt/Copper-doped Carbon Nanohybrids Derived from Functionalized MOF as Efficient Catalysts for the Ullmann Cross-coupling Reaction: Insights into the Active Centers.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c09912","","x-ray","0.71073","MoKα","","0.0965","0.0618","","","0.1372","0.1582","","","","","","1.072","","","","has coordinates","256255","2020-10-21","18:00:00",""
"4518020","9.6954","0.0002","10.1078","0.0004","22.4793","0.0008","97.438","0.003","97.121","0.002","90.238","0.002","2167.11","0.13","100","0.5","100","0.5","","","","","","","","4","P 1","P 1","1","","","","- C27 H25 Br O2 -","- C27 H25 Br O2 -","- C108 H100 Br4 O8 -","4","4","","McLeod, David; Izzo, Joseph A.; Jørgensen, Danny K. B.; Lauridsen, Rune F.; Jørgensen, Karl Anker","Development and Investigation of an Organocatalytic Enantioselective [10 + 2] Cycloaddition","ACS Catalysis","2020","","","10784","","10.1021/acscatal.0c03378","","x-ray","0.71073","MoKα","","0.0519","0.0457","","","0.1109","0.1128","","","","","","1.051","","","","has coordinates","256256","2020-10-21","18:00:00",""
"4518021","14.2489","0.0012","14.2542","0.0012","20.5358","0.0018","84.356","0.001","86.902","0.001","86.242","0.001","4137.1","0.6","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C82 H82 B F24 Li Ni O7 P2 -","- C82 H82 B F24 Li Ni O7 P2 -","- C164 H164 B2 F48 Li2 Ni2 O14 P4 -","2","1","","Tran, Thi V.; Karas, Lucas J.; Wu, Judy I.; Do, Loi H.","Elucidating Secondary Metal Cation Effects on Nickel Olefin Polymerization Catalysts","ACS Catalysis","2020","","","10760","","10.1021/acscatal.0c02949","","","0.71073","MoKα","","0.0809","0.0706","","","0.1979","0.2086","","","","","","1.03","","","","has coordinates,has disorder","256257","2020-10-21","18:00:00",""
"4518022","13.151","0.003","13.356","0.003","24.585","0.006","86.239","0.002","81.17","0.003","87.895","0.003","4256.3","1.7","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C80.5 H85.6 B F24 K Ni O8 P2 -","- C80.5 H85.6 B F24 K Ni O8 P2 -","- C161 H171.2 B2 F48 K2 Ni2 O16 P4 -","2","1","","Tran, Thi V.; Karas, Lucas J.; Wu, Judy I.; Do, Loi H.","Elucidating Secondary Metal Cation Effects on Nickel Olefin Polymerization Catalysts","ACS Catalysis","2020","","","10760","","10.1021/acscatal.0c02949","","","0.71073","MoKα","","0.1246","0.0926","","","0.2612","0.2941","","","","","","1.016","","","","has coordinates,has disorder","256257","2020-10-21","18:00:00",""
"4518023","17.3656","0.0015","23.606","0.002","20.3261","0.0018","90","","103.682","0.001","90","","8095.9","1.2","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C76 H68 B Cs F24 Ni O7 P2 -","- C76 H68 B Cs F24 Ni O7 P2 -","- C304 H272 B4 Cs4 F96 Ni4 O28 P8 -","4","1","","Tran, Thi V.; Karas, Lucas J.; Wu, Judy I.; Do, Loi H.","Elucidating Secondary Metal Cation Effects on Nickel Olefin Polymerization Catalysts","ACS Catalysis","2020","","","10760","","10.1021/acscatal.0c02949","","","0.71073","MoKα","","0.1203","0.1011","","","0.2712","0.2907","","","","","","1.035","","","","has coordinates,has disorder","256257","2020-10-21","18:00:00",""
"4518024","8.9756","0.0004","9.0718","0.0004","11.0372","0.0005","84.016","0.001","85.238","0.001","62.683","0.001","793.5","0.06","100","1","100","1","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 N2 -","- C21 H18 N2 -","- C42 H36 N4 -","2","1","","Wang, Shengdong; Force, Guillaume; Guillot, Régis; Carpentier, Jean-François; Sarazin, Yann; Bour, Christophe; Gandon, Vincent; Lebœuf, David","Lewis Acid/Hexafluoroisopropanol: A Promoter System for Selective ortho-C-Alkylation of Anilines with Deactivated Styrene Derivatives and Unactivated Alkenes","ACS Catalysis","2020","","","10794","","10.1021/acscatal.0c02959","","x-ray","1.54178","CuKα","","0.0346","0.0329","","","0.0827","0.084","","","","","","1.067","","","","has coordinates","256258","2020-10-21","18:00:00",""
"4518025","11.8617","0.0007","14.6759","0.0008","11.3999","0.0007","90","","96.235","0.005","90","","1972.8","0.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 O6 P2 -","- C46 H46 O6 P2 -","- C92 H92 O12 P4 -","2","0.5","","Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro","Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.","ACS omega","2020","5","37","23621","23630","10.1021/acsomega.0c02177","","x-ray","1.54184","CuKα","","0.1323","0.0608","","","0.1488","0.1905","","","","","","0.928","","","","has coordinates","257063","2020-10-21","18:00:00",""
"4518026","6.07681","0.00012","12.5823","0.0003","18.8446","0.0006","70.567","0.003","81.108","0.002","85.4235","0.0018","1341.83","0.06","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H74 O6 P2 -","- C60 H74 O6 P2 -","- C60 H74 O6 P2 -","1","0.5","","Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro","Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.","ACS omega","2020","5","37","23621","23630","10.1021/acsomega.0c02177","","x-ray","1.54184","CuKα","","0.0946","0.0675","","","0.1785","0.1921","","","","","","1.077","","","","has coordinates","257063","2020-10-21","18:00:00",""
"4518027","11.0373","0.0003","20.9634","0.0004","24.3544","0.0005","76.4018","0.0017","81.4278","0.0017","80.7315","0.0019","5369.2","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cl3 O3 P -","- C22 H20 Cl3 O3 P -","- C176 H160 Cl24 O24 P8 -","8","4","","Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro","Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.","ACS omega","2020","5","37","23621","23630","10.1021/acsomega.0c02177","","x-ray","1.54184","CuKα","","0.1094","0.0657","","","0.2273","0.2632","","","","","","1.092","","","","has coordinates,has disorder","257063","2020-10-21","18:00:00",""
"4518028","11.6696","0.0003","12.2099","0.0003","16.0856","0.0004","78.793","0.002","71.385","0.002","77.94","0.002","2103.86","0.1","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H50 O6 P2 -","- C48 H50 O6 P2 -","- C96 H100 O12 P4 -","2","1","","Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro","Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.","ACS omega","2020","5","37","23621","23630","10.1021/acsomega.0c02177","","x-ray","1.54184","CuKα","","0.0591","0.0478","","","0.1382","0.1466","","","","","","1.035","","","","has coordinates","257063","2020-10-21","18:00:00",""
"4518029","14.58208","0.00011","14.63153","0.00014","21.2423","0.0002","90","","96.8405","0.0008","90","","4499.96","0.07","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H54 O6 P2 -","- C53 H54 O6 P2 -","- C212 H216 O24 P8 -","4","1","","Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro","Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.","ACS omega","2020","5","37","23621","23630","10.1021/acsomega.0c02177","","x-ray","1.54184","CuKα","","0.0568","0.0462","","","0.1172","0.1235","","","","","","1.038","","","","has coordinates","257063","2020-10-21","18:00:00",""
"4518030","23.019","0.005","9.024","0.0018","17.562","0.004","90","","95.31","0.03","90","","3632.4","1.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 O6 P2 -","- C44 H42 O6 P2 -","- C176 H168 O24 P8 -","4","1","","Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro","Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.","ACS omega","2020","5","37","23621","23630","10.1021/acsomega.0c02177","","","0.8","synchrotron","","0.0752","0.0656","","","0.1907","0.2064","","","","","","1.056","","","","has coordinates,has disorder","257063","2020-10-21","18:00:00",""
"4518031","19.383","0.004","20.236","0.004","19.392","0.004","90","","119.84","0.01","90","","6598","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Cl2 N2 O Pd S -","- C34 H38 Cl2 N2 O Pd S -","- C272 H304 Cl16 N16 O8 Pd8 S8 -","8","2","","Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C.","Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction.","ACS omega","2020","5","37","24018","24032","10.1021/acsomega.0c03415","","","0.71073","MoKα","","0.0549","0.0397","","","0.0849","0.0952","","","","","","1.065","","","","has coordinates","257065","2020-10-21","18:00:00",""
"4518032","12.73","0.004","14.003","0.004","8.513","0.002","90","","106.232","0.01","90","","1457","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Cl2 N4 Ni -","- C32 H36 Cl2 N4 Ni -","- C64 H72 Cl4 N8 Ni2 -","2","0.5","","Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C.","Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction.","ACS omega","2020","5","37","24018","24032","10.1021/acsomega.0c03415","","","0.71073","MoKα","","0.1483","0.103","","","0.2373","0.2607","","","","","","1.061","","","","has coordinates","257065","2020-10-21","18:00:00",""
"4518033","24.275","0.005","24.275","0.005","18.364","0.006","90","","90","","90","","10821","5","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C39.72 H58.29 Cl4 N4 Ni2 O3.43 -","- C39.716 H58.29 Cl4 N4 Ni2 O3.429 -","- C317.728 H466.32 Cl32 N32 Ni16 O27.432 -","8","0.5","","Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C.","Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction.","ACS omega","2020","5","37","24018","24032","10.1021/acsomega.0c03415","","","0.71073","MoKα","","0.0793","0.053","","","0.1428","0.1747","","","","","","1.268","","","","has coordinates","257065","2020-10-21","18:00:00",""
"4518034","8.623","0.003","9.493","0.003","11.552","0.004","112.209","0.01","107.067","0.009","96.813","0.01","808.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl2 N2 Pd -","- C16 H18 Cl2 N2 Pd -","- C32 H36 Cl4 N4 Pd2 -","2","1","","Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C.","Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction.","ACS omega","2020","5","37","24018","24032","10.1021/acsomega.0c03415","","","0.71073","MoKα","","0.0267","0.0223","","","0.0512","0.0543","","","","","","1.123","","","","has coordinates","257065","2020-10-21","18:00:00",""
"4518035","9.1117","0.0004","9.1126","0.0003","9.5279","0.0004","73.971","0.003","81.252","0.004","86.515","0.003","751.36","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N2 O2 -","- C38 H38 N2 O2 -","- C38 H38 N2 O2 -","1","0.5","","Das Adhikari, Gopal Krushna; Chebolu, Rajesh; Ravikumar, Ponneri Chandrababu","Regio- and Stereoselective Synthesis of the Core Structure of Hexahydrobenzo[<i>c</i>]phenanthridine Alkaloids via Redox-Neutral Cp*Rh(III)-Catalyzed C-H/N-H Annulation of Cyclic Alkenes with Benzamides.","ACS omega","2020","5","37","24033","24044","10.1021/acsomega.0c03434","","x-ray","0.71073","MoKα","","0.0855","0.065","","","0.1924","0.2076","","","","","","1.111","","","","has coordinates","257064","2020-10-21","18:00:00",""
"4518036","9.364","0.0004","12.4629","0.0004","12.6747","0.0003","105.516","0.002","102.852","0.003","102.045","0.003","1331.73","0.09","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C68 H60 N4 O4 -","- C68 H60 N4 O4 -","- C68 H60 N4 O4 -","1","0.5","","Das Adhikari, Gopal Krushna; Chebolu, Rajesh; Ravikumar, Ponneri Chandrababu","Regio- and Stereoselective Synthesis of the Core Structure of Hexahydrobenzo[<i>c</i>]phenanthridine Alkaloids via Redox-Neutral Cp*Rh(III)-Catalyzed C-H/N-H Annulation of Cyclic Alkenes with Benzamides.","ACS omega","2020","5","37","24033","24044","10.1021/acsomega.0c03434","","","1.54184","CuKα","","0.1021","0.0892","","","0.2384","0.2479","","","","","","1.093","","","","has coordinates","257064","2020-10-21","18:00:00",""
"4518037","16.6324","0.0008","12.5786","0.0005","23.5913","0.0012","90","","90.5504","0.0018","90","","4935.4","0.4","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O4 S -","- C29 H26 N2 O4 S -","- C232 H208 N16 O32 S8 -","8","2","","De, Nirupam; Ko, Donguk; Baek, Seung-yeol; Oh, Changjin; Kim, Jiyoung; Baik, Mu-Hyun; Yoo, Eun Jeong","Cu(I)-Catalyzed Enantioselective [5 + 1] Cycloaddition of N-Aromatic Compounds and Alkynes via Chelating-Assisted 1,2-Dearomative Addition","ACS Catalysis","2020","","","10905","","10.1021/acscatal.0c03014","","","0.71073","MoKα","","0.0579","0.0411","","","0.0952","0.107","","","","","","1.041","","","","has coordinates","256390","2020-10-21","18:00:00",""
"4518038","9.7732","0.0003","22.9861","0.0008","12.4889","0.0004","90","","107.777","0.0011","90","","2671.64","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Cl N2 O5 S -","- C30 H27 Cl N2 O5 S -","- C120 H108 Cl4 N8 O20 S4 -","4","1","","De, Nirupam; Ko, Donguk; Baek, Seung-yeol; Oh, Changjin; Kim, Jiyoung; Baik, Mu-Hyun; Yoo, Eun Jeong","Cu(I)-Catalyzed Enantioselective [5 + 1] Cycloaddition of N-Aromatic Compounds and Alkynes via Chelating-Assisted 1,2-Dearomative Addition","ACS Catalysis","2020","","","10905","","10.1021/acscatal.0c03014","","","0.71073","MoKα","","0.0545","0.0446","","","0.1047","0.1097","","","","","","1.061","","","","has coordinates","256391","2020-10-21","18:00:00",""
"4518039","7.25553","0.00003","7.4022","0.00004","47.0222","0.0002","90","","92.058","0.0004","90","","2523.79","0.02","170","0.13","170","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H26 N4 O6 -","- C27 H26 N4 O6 -","- C108 H104 N16 O24 -","4","2","","Xue, Zaikun; Li, Yao; Luo, Sanzhong","Chiral Primary Amine-Catalyzed Divergent Coupling of α-Substituted Acrylaldehydes with α-Diazoesters","ACS Catalysis","2020","","","10989","","10.1021/acscatal.0c02405","","x-ray","1.54184","CuKα","","0.036","0.0354","","","0.0929","0.0935","","","","","","1.03","","","","has coordinates,has disorder","256408","2020-10-21","18:00:00",""
"4518040","6.4822","0.0001","15.0713","0.0002","16.8103","0.0002","90","","90","","90","","1642.29","0.04","110","0.1","110","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C1.74 H1.74 O0.35 -","- C1.73913 H1.73913 O0.347826 -","- C80 H80 O16 -","46","11.5","","Xue, Zaikun; Li, Yao; Luo, Sanzhong","Chiral Primary Amine-Catalyzed Divergent Coupling of α-Substituted Acrylaldehydes with α-Diazoesters","ACS Catalysis","2020","","","10989","","10.1021/acscatal.0c02405","","x-ray","1.54184","CuKα","","0.0311","0.0295","","","0.0745","0.0768","","","","","","1.109","","","","has coordinates","256409","2020-10-21","18:00:00",""
"4518041","8.5976","0.0004","9.2734","0.0005","12.5694","0.0006","104.461","0.002","99.599","0.002","96.061","0.002","945.36","0.08","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H22 B N2 O3 S Si -","- C18 H22 B N2 O3 S Si -","- C36 H44 B2 N4 O6 S2 Si2 -","2","1","","Desrosiers, Vincent; Garcia, Cecilia Zavaleta; Fontaine, Frédéric-Georges","Boron Recycling in the Metal-Free Transfer C‒H Borylation of Terminal Alkynes and Heteroarenes","ACS Catalysis","2020","","","11046","","10.1021/acscatal.0c02682","","x-ray","1.54178","CuKα","","0.0485","0.0481","","","0.1336","0.1343","","","","","","1.032","","","","has coordinates,has disorder","256410","2020-10-21","18:00:00",""
"4518042","8.8921","0.0013","8.8921","0.0013","12.604","0.003","90","","90","","90","","996.6","0.3","293","","293","","","","","","","","","5","I 4 c m","I 4 -2c","108","","","","- C H6 I3 N Pb -","- C H6 I3 N Pb -","- C4 H24 I12 N4 Pb4 -","4","0.25","","Gao, Lili; Li, Xiaotong; Liu, Yan; Fang, Junjie; Huang, Sheng; Spanopoulos, Ioannis; Li, Xiaolei; Wang, Yao; Chen, Lin; Yang, Guanjun; Kanatzidis, Mercouri G.","Incorporated Guanidinium Expands the CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> Lattice and Enhances Photovoltaic Performance.","ACS applied materials & interfaces","2020","12","39","43885","43891","10.1021/acsami.0c14925","","x-ray","0.71359","X-ray","","0.1199","0.1091","","","0.126","0.1263","","","","7.55","7.55","7.05","","","","has coordinates","256982","2020-10-21","18:00:00",""
"4518043","8.8934","0.0013","8.8934","0.0013","12.671","0.003","90","","90","","90","","1002.2","0.3","293","","293","","","","","","","","","5","I 4 c m","I 4 -2c","108","","","","- C H6 I3 N Pb -","- C H6 I3 N Pb -","- C4 H24 I12 N4 Pb4 -","4","0.25","","Gao, Lili; Li, Xiaotong; Liu, Yan; Fang, Junjie; Huang, Sheng; Spanopoulos, Ioannis; Li, Xiaolei; Wang, Yao; Chen, Lin; Yang, Guanjun; Kanatzidis, Mercouri G.","Incorporated Guanidinium Expands the CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> Lattice and Enhances Photovoltaic Performance.","ACS applied materials & interfaces","2020","12","39","43885","43891","10.1021/acsami.0c14925","","x-ray","0.71073","MoKα","","0.0989","0.0904","","","0.1076","0.1084","","","","7.01","7.01","6.66","","","","has coordinates","256982","2020-10-21","18:00:00",""
"4518044","10.705","0.0003","11.4472","0.0004","13.9654","0.0005","97.31","0.003","112.09","0.002","95.568","0.002","1553.18","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Cl N4 O5 P -","- C34 H34 Cl N4 O5 P -","- C68 H68 Cl2 N8 O10 P2 -","2","1","","Garrido-González, José J.; Iglesias Aparicio, Ma Mercedes; García, Miguel Martínez; Simón, Luis; Sanz, Francisca; Morán, Joaquín R.; Fuentes de Arriba, Ángel L.","An Enzyme Model Which Mimics Chymotrypsin and N-Terminal Hydrolases","ACS Catalysis","2020","","","11162","","10.1021/acscatal.0c02121","","","1.54178","CuKα","","0.055","0.0418","","","0.1041","0.1129","","","","","","1.026","","","","has coordinates","256456","2020-10-21","18:00:00",""
"4518045","5.6074","0.0002","10.999","0.0004","11.5162","0.0004","70.359","0.003","87.896","0.003","80.916","0.003","660.45","0.04","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H32 N4 O10 S2 -","- C24 H32 N4 O10 S2 -","- C24 H32 N4 O10 S2 -","1","1","","Gissot, Arnaud; Massip, Stéphane; Barthélémy, Philippe","Intramolecular Michael Additions in Uridine Derivatives: Isolation of the Labile 5′O-C6 Cyclonucleoside","ACS Omega","2020","5","38","24746","24753","10.1021/acsomega.0c03348","","","1.54184","CuKα","","0.0345","0.0343","","","0.0943","0.0945","","","","","","1.029","","","","has coordinates","257074","2020-10-21","18:00:00",""
"4518046","16.6577","0.0003","9.0916","0.0002","11.5007","0.0002","90","","102.302","0.002","90","","1701.73","0.06","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H17 Cl3 N2 O6 -","- C13 H17 Cl3 N2 O6 -","- C52 H68 Cl12 N8 O24 -","4","1","","Gissot, Arnaud; Massip, Stéphane; Barthélémy, Philippe","Intramolecular Michael Additions in Uridine Derivatives: Isolation of the Labile 5′O-C6 Cyclonucleoside","ACS Omega","2020","5","38","24746","24753","10.1021/acsomega.0c03348","","","1.54184","CuKα","","0.0388","0.0383","","","0.0992","0.0997","","","","","","1.014","","","","has coordinates,has disorder","257074","2020-10-21","18:00:00",""
"4518047","7.0716","0.0003","14.82","0.0004","15.8935","0.0006","90","","90","","90","","1665.66","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 Cl2 N3 O5 -","- C13 H19 Cl2 N3 O5 -","- C52 H76 Cl8 N12 O20 -","4","1","","Gissot, Arnaud; Massip, Stéphane; Barthélémy, Philippe","Intramolecular Michael Additions in Uridine Derivatives: Isolation of the Labile 5′O-C6 Cyclonucleoside","ACS Omega","2020","5","38","24746","24753","10.1021/acsomega.0c03348","","","1.54184","CuKα","","0.0609","0.0585","","","0.1546","0.1567","","","","","","1.02","","","","has coordinates","257074","2020-10-21","18:00:00",""
"4518048","10.4971","0.0003","16.3367","0.0005","19.0994","0.0005","84.845","0.001","76.776","0.001","86.857","0.001","3173.59","0.16","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C88 H86 Cl8 Eu4 N8 O25 -","- C88 H86 Cl8 Eu4 N8 O25 -","- C88 H86 Cl8 Eu4 N8 O25 -","1","1","","Guo, Meng-Yue; Li, Peng; Yang, Shuai-Liang; Bu, Ran; Piao, Xian-Qing; Gao, En-Qing","Distinct and Selective Amine- and Anion-Responsive Behaviors of an Electron-Deficient and Anion-Exchangeable Metal-Organic Framework.","ACS applied materials & interfaces","2020","12","39","43958","43966","10.1021/acsami.0c14648","","","1.54178","CuKα","","0.0398","0.0377","","","0.0988","0.1006","","","","","","1.021","","","","has coordinates","256981","2020-10-21","18:00:00",""
"4518049","15.7093","0.0004","11.6599","0.0003","14.4112","0.0004","90","","111.737","0.003","90","","2451.98","0.12","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Cl8 N8 Pt2 S4 -","- C32 H56 Cl8 N8 Pt2 S4 -","- C64 H112 Cl16 N16 Pt4 S8 -","2","0.5","","Wang, Qi; Wang, Ning; Liu, Wenhui; Yan, Yan; Su, Hongmei; Wang, Min; Zhang, Guanju; Yang, Yanzhao","ESP‒ALIE Analysis as a Theoretical Tool for Identifying the Coordination Atoms of Possible Multisite Extractants: Validation and Prediction","ACS Sustainable Chemistry & Engineering","2020","8","38","14353","14364","10.1021/acssuschemeng.0c03934","","x-ray","1.54184","CuKα","","0.0539","0.0395","","","0.1286","0.1789","","","","","","1.197","","","","has coordinates","257095","2020-10-21","18:00:00",""
"4518050","6.95686","0.00016","4.79577","0.00013","28.14","0.0007","90","","94.683","0.002","90","","935.71","0.04","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NBTA","","","- C24 H14 N2 S2 -","- C24 H14 N2 S2 -","- C48 H28 N4 S4 -","2","0.5","","Wan, Yuejuan; Deng, Jian; Wu, Wanling; Zhou, Jiadong; Niu, Quan; Li, Haoyuan; Yu, Huakang; Gu, Cheng; Ma, Yuguang","Efficient Organic Light-Emitting Transistors Based on High-Quality Ambipolar Single Crystals.","ACS applied materials & interfaces","2020","12","39","43976","43983","10.1021/acsami.0c12842","","x-ray","1.54184","CuKα","","0.0411","0.0403","","","0.1158","0.1165","","","","","","1.078","","","","has coordinates","256983","2020-10-21","18:00:00",""
"4518051","9.8601","0.0003","5.6544","0.0002","44.1243","0.0015","90","","90","","90","","2460.06","0.14","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H21 N O3 -","- C11 H21 N O3 -","- C88 H168 N8 O24 -","8","2","","Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank","trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives","ACS Catalysis","2020","10","19","11365","11370","10.1021/acscatal.0c03423","","","1.54178","CuKα","","0.0624","0.0572","","","0.1283","0.1308","","","","","","1.094","","","","has coordinates","256999","2020-10-21","18:00:00",""
"4518052","9.2362","0.0003","10.9879","0.0003","23.7378","0.0007","90","","90","","90","","2409.06","0.12","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H21 N O3 -","- C11 H21 N O3 -","- C88 H168 N8 O24 -","8","1","","Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank","trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives","ACS Catalysis","2020","10","19","11365","11370","10.1021/acscatal.0c03423","","","1.54178","CuKα","","0.0744","0.059","","","0.1449","0.1549","","","","","","1.071","","","","has coordinates","256999","2020-10-21","18:00:00",""
"4518053","14.6389","0.0003","5.303","0.0001","13.1361","0.0003","90","","106.994","0.001","90","","975.23","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O -","- C12 H16 O -","- C48 H64 O4 -","4","1","","Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank","trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives","ACS Catalysis","2020","10","19","11365","11370","10.1021/acscatal.0c03423","","","1.54178","CuKα","","0.0385","0.0341","","","0.0837","0.0867","","","","","","1.049","","","","has coordinates","256999","2020-10-21","18:00:00",""
"4518054","9.1475","0.0002","19.6782","0.0005","7.9541","0.0002","90","","92.11","0.001","90","","1430.82","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 O2 -","- C15 H28 O2 -","- C60 H112 O8 -","4","1","","Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank","trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives","ACS Catalysis","2020","10","19","11365","11370","10.1021/acscatal.0c03423","","","1.54178","CuKα","","0.0791","0.0729","","","0.1931","0.2031","","","","","","1.122","","","","has coordinates","256999","2020-10-21","18:00:00",""
"4518055","10.2481","0.0005","10.8413","0.0005","29.7499","0.0014","90","","94.192","0.002","90","","3296.5","0.3","230","2","230","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cl2 F6 P2 Pt -","- C36 H24 Cl2 F6 P2 Pt -","- C144 H96 Cl8 F24 P8 Pt4 -","4","1","","Pham, Dianne; Deter, Carly J.; Reinard, Mariah C.; Gibson, Gregory A.; Kiselyov, Kirill; Yu, Wangjie; Sandulache, Vlad C.; St. Croix, Claudette M.; Koide, Kazunori","Using Ligand-Accelerated Catalysis to Repurpose Fluorogenic Reactions for Platinum or Copper","ACS Central Science","2020","","","","","10.1021/acscentsci.0c00676","","","1.54178","CuKα","","0.0333","0.0246","","","0.066","0.0731","","","","","","0.779","","","","has coordinates","256532","2020-10-21","18:00:00",""
"4518056","13.1697","0.0001","8.5458","0.0001","33.8861","0.0003","90","","90","","90","","3813.73","0.06","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H24 O5 S2 -","- C20 H24 O5 S2 -","- C160 H192 O40 S16 -","8","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0338","0.0307","","","0.0749","0.0767","","","","","","1.058","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518057","27.5054","0.0002","7.159","0.0001","28.9864","0.0002","90","","91.009","0.001","90","","5706.86","0.1","100","0.1","100","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C128 H210 O13 -","- C128 H210 O13 -","- C256 H420 O26 -","2","0.5","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0354","0.0343","","","0.0922","0.0931","","","","","","1.036","","","","has coordinates,has disorder","256998","2020-10-21","18:00:00",""
"4518058","6.46515","0.00012","7.56208","0.00015","26.4823","0.0006","90","","93.8866","0.0018","90","","1291.74","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0438","0.0392","","","0.0938","0.0963","","","","","","1.064","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518059","13.4325","0.0004","9.9472","0.0003","15.5089","0.0005","90","","101.16","0.003","90","","2033.05","0.11","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 B N O4 -","- C20 H30 B N O4 -","- C80 H120 B4 N4 O16 -","4","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","0.71073","MoKα","","0.069","0.0578","","","0.1043","0.1092","","","","","","1.057","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518060","11.66361","0.00012","15.02503","0.00019","11.25687","0.00012","90","","97.1362","0.001","90","","1957.44","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F2 O4 S2 -","- C20 H22 F2 O4 S2 -","- C80 H88 F8 O16 S8 -","4","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0333","0.0311","","","0.0787","0.0803","","","","","","1.08","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518061","14.75517","0.0001","11.9167","0.00008","18.31913","0.00011","90","","93.7103","0.0006","90","","3214.35","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H56 O3 S -","- C37 H56 O3 S -","- C148 H224 O12 S4 -","4","2","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0338","0.0323","","","0.0849","0.0859","","","","","","1.05","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518062","23.988","0.0003","6.72515","0.00007","18.4587","0.0002","90","","109.443","0.0012","90","","2808","0.06","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 O2 -","- C16 H26 O2 -","- C128 H208 O16 -","8","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0371","0.0345","","","0.0864","0.0883","","","","","","1.058","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518063","9.7284","0.0006","10.1848","0.0006","21.6633","0.0013","90","","95.2937","0.0009","90","","2137.3","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 Br2 N3 O4 -","- C19 H23 Br2 N3 O4 -","- C76 H92 Br8 N12 O16 -","4","0.5","","Roberts, John M.; Belowich, Matthew E.; Peterson, Thomas H.; Bellinger, Edward; Syverud, Karin; Laitar, David S.; Sidle, Tobias","Homoconjugated Acids as Low Cyclosiloxane-Producing Silanol Polycondensation Catalysts","ACS Omega","2020","5","38","24954","24963","10.1021/acsomega.0c03883","","","0.71073","MoKα","","0.0255","0.022","","","0.0521","0.0535","","","","","","1.084","","","","has coordinates,has disorder","257075","2020-10-21","18:00:00",""
"4518064","14.8299","0.0005","7.4261","0.0003","11.4598","0.0004","90","","109.078","0.0009","90","","1192.73","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O5 -","- C14 H12 O5 -","- C56 H48 O20 -","4","1","","Karlinskii, Bogdan Ya.; Kostyukovich, Alexander Yu.; Kucherov, Fedor A.; Galkin, Konstantin I.; Kozlov, Kirill S.; Ananikov, Valentine P.","Directing-Group-Free, Carbonyl Group-Promoted Catalytic C‒H Arylation of Bio-Based Furans","ACS Catalysis","2020","10","19","11466","11480","10.1021/acscatal.0c02143","","","0.71073","MoKα","","0.0611","0.0427","","","0.1086","0.1212","","","","","","1.042","","","","has coordinates","256997","2020-10-21","18:00:00",""
"4518065","12.3333","0.0004","11.1772","0.0004","19.7023","0.0006","90","","101.316","0.001","90","","2663.2","0.15","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 O3 -","- C18 H12 O3 -","- C144 H96 O24 -","8","1","","Karlinskii, Bogdan Ya.; Kostyukovich, Alexander Yu.; Kucherov, Fedor A.; Galkin, Konstantin I.; Kozlov, Kirill S.; Ananikov, Valentine P.","Directing-Group-Free, Carbonyl Group-Promoted Catalytic C‒H Arylation of Bio-Based Furans","ACS Catalysis","2020","10","19","11466","11480","10.1021/acscatal.0c02143","","","0.71073","MoKα","","0.0802","0.0501","","","0.1143","0.1334","","","","","","1.017","","","","has coordinates","256997","2020-10-21","18:00:00",""
"4518066","11.0065","0.0003","13.6364","0.0003","7.4223","0.0002","90","","101.195","0.001","90","","1092.81","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F3 O3 -","- C13 H7 F3 O3 -","- C52 H28 F12 O12 -","4","1","","Karlinskii, Bogdan Ya.; Kostyukovich, Alexander Yu.; Kucherov, Fedor A.; Galkin, Konstantin I.; Kozlov, Kirill S.; Ananikov, Valentine P.","Directing-Group-Free, Carbonyl Group-Promoted Catalytic C‒H Arylation of Bio-Based Furans","ACS Catalysis","2020","10","19","11466","11480","10.1021/acscatal.0c02143","","","0.71073","MoKα","","0.0647","0.0461","","","0.1334","0.1489","","","","","","1.042","","","","has coordinates","256997","2020-10-21","18:00:00",""
"4518067","15.1068","0.0014","15.5306","0.0014","23.406","0.002","81.311","0.003","86.361","0.003","61.117","0.003","4752.9","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C91 H140 Cl2 N8 Nd2 O6 -","- C91 H140 Cl2 N8 Nd2 O6 -","- C182 H280 Cl4 N16 Nd4 O12 -","2","1","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0799","0.052","","","0.0922","0.1013","","","","","","1.036","","","","has coordinates,has disorder","256625","2020-10-21","18:00:00",""
"4518068","11.4186","0.0004","19.3718","0.0008","28.121","0.001","90","","94.83","0.002","90","","6198.2","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48.75 H72.75 Cl11.25 Dy N4 O3 -","- C48.75 H72.75 Cl11.25 Dy N4 O3 -","- C195 H291 Cl45 Dy4 N16 O12 -","4","1","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.1298","0.0647","","","0.1392","0.1652","","","","","","1.029","","","","has coordinates,has disorder","256625","2020-10-21","18:00:00",""
"4518069","37.0064","0.0018","16.7595","0.0008","7.0881","0.0003","90","","90","","90","","4396.1","0.4","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C44 H66 N4 Nd O3 -","- C45 H66 N4 Nd O3 -","- C180 H264 N16 Nd4 O12 -","4","0.5","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0767","0.0689","","","0.1562","0.1597","","","","","","1.199","","","","has coordinates,has disorder","256625","2020-10-21","18:00:00",""
"4518070","9.3851","0.0019","11.778","0.003","14.503","0.003","102.267","0.007","92.88","0.007","94.271","0.006","1558.6","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H30 Br3 N -","- C39 H30 Br3 N -","- C78 H60 Br6 N2 -","2","1","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0558","0.0374","","","0.0911","0.0997","","","","","","1.035","","","","has coordinates","256625","2020-10-21","18:00:00",""
"4518071","24.47","0.002","7.2574","0.0007","24.738","0.002","90","","96.321","0.005","90","","4366.5","0.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H72 N4 O3 -","- C45 H72 N4 O3 -","- C180 H288 N16 O12 -","4","1","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0812","0.0623","","","0.1706","0.1847","","","","","","1.032","","","","has coordinates","256625","2020-10-21","18:00:00",""
"4518072","8.7367","0.0003","10.4571","0.0003","15.233","0.0005","73.626","0.002","80.35","0.002","76.316","0.002","1289.72","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Br3 F9 N -","- C24 H15 Br3 F9 N -","- C48 H30 Br6 F18 N2 -","2","1","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0435","0.0381","","","0.1011","0.1043","","","","","","1.043","","","","has coordinates,has disorder","256625","2020-10-21","18:00:00",""
"4518073","13.7629","0.0016","13.7728","0.0017","15.5782","0.0018","66.403","0.006","77.303","0.006","75.695","0.006","2597.7","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C57 H69 N7 O3 -","- C57 H69 N7 O3 -","- C114 H138 N14 O6 -","2","1","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0495","0.0403","","","0.1119","0.1194","","","","","","1.049","","","","has coordinates","256625","2020-10-21","18:00:00",""
"4518074","14.5635","0.0017","14.5635","0.0017","12.1646","0.0014","90","","90","","120","","2234.4","0.4","100","","100","","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C40 H50 Dy F9 N4 O4 -","- C40.0002 H49.9998 Dy F9 N4 O4 -","- C80.0004 H99.9996 Dy2 F18 N8 O8 -","2","0.333333","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0397","0.0342","","","0.0885","0.0915","","","","","","1.076","","","","has coordinates,has disorder","288221","2023-12-11","22:20:44",""
"4518075","15.494","0.0017","15.494","0.0017","54.709","0.006","90","","90","","120","","11374","2","100","","100","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C36 H45 F9 N4 O3 -","- C36 H45 F9 N4 O3 -","- C432 H540 F108 N48 O36 -","12","0.333333","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0634","0.0554","","","0.1486","0.1548","","","","","","1.079","","","","has coordinates,has disorder","256625","2020-10-21","18:00:00",""
"4518076","9.8699","0.0008","14.7597","0.0012","22.1202","0.0018","103.709","0.003","100.401","0.003","105.739","0.003","2908.1","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C63.25 H82 N4 Nd O5.75 -","- C63.25 H82 N4 Nd O5.75 -","- C126.5 H164 N8 Nd2 O11.5 -","2","1","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0436","0.0355","","","0.084","0.0914","","","","","","1.117","","","","has coordinates,has disorder","256625","2020-10-21","18:00:00",""
"4518077","14.5759","0.0013","14.5759","0.0013","12.1484","0.0011","90","","90","","120","","2235.2","0.3","100","","100","","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C40 H50 F9 N4 Nd O4 -","- C39.9996 H49.9992 F9 N4 Nd O4 -","- C79.9992 H99.9984 F18 N8 Nd2 O8 -","2","0.333333","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.023","0.0196","","","0.0474","0.0486","","","","","","1.055","","","","has coordinates,has disorder","256625","2020-10-21","18:00:00",""
"4518078","8.594","0.009","14.579","0.014","11.552","0.014","90","","90.36","0.04","90","","1447","3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 Cd I2 N3 O -","- C9 H11 Cd I2 N3 O -","- C36 H44 Cd4 I8 N12 O4 -","4","1","","Roy, Krittish; Jana, Srikanta; Ghosh, Sujoy Kumar; Mahanty, Biswajit; Mallick, Zinnia; Sarkar, Subrata; Sinha, Chittaranjan; Mandal, Dipankar","3D MOF Assisted Self-Polarized Ferroelectret: An Effective Auto-Powered Remote Healthcare Monitoring Approach.","Langmuir : the ACS journal of surfaces and colloids","2020","","","","","10.1021/acs.langmuir.0c01749","","","0.71073","MoKα","","0.1245","0.1167","","","0.3312","0.3379","","","","","","1.585","","","","has coordinates","256631","2020-10-21","18:00:00",""
"4518079","26.828","0.014","26.828","0.014","26.828","0.014","90","","90","","90","","19309","17","298","2","298","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C14.5 H8 Cl0 Fe2 N0 O10 -","- C12 H8 Fe2 O10 -","- C288 H192 Fe48 O240 -","24","0.125","","Li, Yun-Wu; Zhang, Wen-Jie; Li, Jing; Ma, Hui-Yan; Du, Hong-Mei; Li, Da-Cheng; Wang, Su-Na; Zhao, Jin-Sheng; Dou, Jian-Min; Xu, Liqiang","Fe-MOF-Derived Efficient ORR/OER Bifunctional Electrocatalyst for Rechargeable Zinc-Air Batteries.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c11945","","","0.71073","MoKα","","0.1461","0.1189","","","0.3334","0.3602","","","","","","1.053","","","","has coordinates","256672","2020-10-21","18:00:00",""
"4518080","13.8385","0.0016","29.32","0.003","30.758","0.004","90","","90","","90","","12480","3","100","2","100","","","","","","","","","4","C c c m","-C 2 2c","66","","","","- C44 H22 In O8 -","- C44 H22 In O8 -","- C352 H176 In8 O64 -","8","0.5","","Chen, Yongwei; Zhang, Xuan; Chen, Haoyuan; Drout, Riki J.; Chen, Zhijie; Mian, Mohammad Rasel; Maldonado, Rodrigo R.; Ma, Kaikai; Wang, Xingjie; Xia, Qibin; Li, Zhong; Islamoglu, Timur; Snurr, Randall Q.; Farha, Omar K.","Tuning the Atrazine Binding Sites in an Indium-Based Flexible Metal-Organic Framework.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c13022","","x-ray","1.54178","CuKα","","0.0894","0.083","","","0.2502","0.2591","","","","","","1.095","","","","has coordinates,has disorder","256731","2020-10-21","18:00:00",""
"4518081","8.2522","0.0003","10.6947","0.0005","11.645","0.0005","88.833","0.001","86.13","0.001","88.885","0.001","1025","0.07","100","2","100.03","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27.38 Ir N O2.69 -","- C23 H27.382 Ir N O2.691 -","- C46 H54.764 Ir2 N2 O5.382 -","2","1","","Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong","Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination","ACS Catalysis","2020","","","11693","11699","10.1021/acscatal.0c03207","","","1.54178","CuKα","","0.018","0.0179","","","0.0435","0.0436","","","","","","1.088","","","","has coordinates,has disorder","256733","2020-10-21","18:00:00",""
"4518082","11.2966","0.0003","17.3143","0.0004","23.2024","0.0005","101.869","0.0009","102.938","0.001","99.047","0.0008","4228.98","0.18","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 N4 O Si -","- C30 H36 N4 O Si -","- C180 H216 N24 O6 Si6 -","6","3","","Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong","Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination","ACS Catalysis","2020","","","11693","11699","10.1021/acscatal.0c03207","","","1.54178","CuKα","","0.0824","0.0571","","","0.1521","0.1745","","","","","","1.043","","","","has coordinates","256734","2020-10-21","18:00:00",""
"4518083","11.3222","0.0003","18.4507","0.0005","14.6046","0.0004","90","","103.017","0.001","90","","2972.54","0.14","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 Ir N Si -","- C32 H44 Ir N Si -","- C128 H176 Ir4 N4 Si4 -","4","1","","Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong","Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination","ACS Catalysis","2020","","","11693","11699","10.1021/acscatal.0c03207","","","1.54178","CuKα","","0.0172","0.0165","","","0.0378","0.0382","","","","","","1.101","","","","has coordinates,has disorder","256735","2020-10-21","18:00:00",""
"4518084","20.944","0.001","8.1654","0.0004","12.3532","0.0006","90","","97.35","0.002","90","","2095.24","0.18","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 F N O Si -","- C22 H28 F N O Si -","- C88 H112 F4 N4 O4 Si4 -","4","1","","Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong","Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination","ACS Catalysis","2020","","","11693","11699","10.1021/acscatal.0c03207","","","1.54178","CuKα","","0.0477","0.0441","","","0.1188","0.1218","","","","","","1.059","","","","has coordinates","256736","2020-10-21","18:00:00",""
"4518085","7.4568","0.0002","20.0275","0.0005","27.8489","0.0007","88.958","0.001","84.338","0.001","80.073","0.001","4076.73","0.18","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H55.66 Cl2 N2 O2.83 Si2 -","- C39 H55.66 Cl2 N2 O2.83 Si2 -","- C156 H222.64 Cl8 N8 O11.32 Si8 -","4","2","","Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong","Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination","ACS Catalysis","2020","","","11693","11699","10.1021/acscatal.0c03207","","","1.54178","CuKα","","0.0713","0.0592","","","0.151","0.1624","","","","","","1.016","","","","has coordinates,has disorder","256737","2020-10-21","18:00:00",""
"4518086","24.9365","0.0009","11.3131","0.0004","8.3785","0.0003","90","","90","","90","","2363.65","0.15","100","2","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H31 N O Si -","- C26 H31 N O Si -","- C104 H124 N4 O4 Si4 -","4","1","","Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong","Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination","ACS Catalysis","2020","","","11693","11699","10.1021/acscatal.0c03207","","","1.54178","CuKα","","0.0274","0.0274","","","0.0758","0.0758","","","","","","1.0695","","","","has coordinates,has disorder","256738","2020-10-21","18:00:00",""
"4518087","8.0636","0.0002","13.035","0.0004","15.6853","0.0005","90","","96.548","0.001","90","","1637.91","0.08","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H48 F N Si2 -","- C33 H48 F N Si2 -","- C66 H96 F2 N2 Si4 -","2","1","","Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong","Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination","ACS Catalysis","2020","","","11693","11699","10.1021/acscatal.0c03207","","","1.54178","CuKα","","0.0501","0.0465","","","0.1237","0.1312","","","","","","1.082","","","","has coordinates,has disorder","256739","2020-10-21","18:00:00",""
"4518088","6.3541","0.0003","11.5712","0.0003","32.2251","0.0004","90","","90","","90","","2369.34","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 O4 S -","- C26 H36 O4 S -","- C104 H144 O16 S4 -","4","1","","Yuan, Penghui; Yang, Dezhi; Wang, Ruonan; Gong, Ningbo; Zhang, Li; Lu, Yang; Du, Guanhua","Characterization of a New Solvatomorph of Drospirenone by Thermogravimetry‒Mass Spectrometry Combined with Other Solid-State Analysis Methods","ACS Omega","2020","","","","","10.1021/acsomega.0c03531","","","1.54178","CuKα","","0.045","0.0406","","","0.1073","0.1114","","","","","","0.994","","","","has coordinates,has disorder","256740","2020-10-21","18:00:00",""
"4518089","12.22","0.004","12.6","0.005","12.894","0.004","90","","90","","90","","1985.3","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 O3 -","- C24 H30 O3 -","- C96 H120 O12 -","4","1","","Yuan, Penghui; Yang, Dezhi; Wang, Ruonan; Gong, Ningbo; Zhang, Li; Lu, Yang; Du, Guanhua","Characterization of a New Solvatomorph of Drospirenone by Thermogravimetry‒Mass Spectrometry Combined with Other Solid-State Analysis Methods","ACS Omega","2020","","","","","10.1021/acsomega.0c03531","","","1.54178","CuKα","","0.0398","0.0355","","","0.0946","0.0987","","","","","","1.016","","","","has coordinates","256741","2020-10-21","18:00:00",""
"4518090","21.088","0.003","8.619","0.0013","17.432","0.003","90","","126.527","0.002","90","","2546","0.7","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C120 H104 N24 O8 -","8","1","","Núñez Alonso, David; Pérez-Torralba, Marta; Claramunt, Rosa M.; Torralba, M. Carmen; Delgado-Martínez, Patricia; Alkorta, Ibon; Elguero, José; Roussel, Christian","Regiospecific Synthesis and Structural Studies of 3,5-Dihydro-4H-pyrido[2,3-b][1,4]diazepin-4-ones and Comparison with 1,3-Dihydro-2H-benzo[b][1,4]diazepin-2-ones","ACS Omega","2020","","","","","10.1021/acsomega.0c03843","","","0.71073","MoKα","","0.091","0.0526","","","0.1378","0.1559","","","","","","1.072","","","","has coordinates","256765","2020-10-21","18:00:00",""
"4518091","12.8335","0.0002","14.5079","0.0002","25.395","0.0003","90","","90","","90","","4728.22","0.11","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H34 Br2 O4 Si -","- C21 H34 Br2 O4 Si -","- C168 H272 Br16 O32 Si8 -","8","1","","Schäfers, Felix; Quach, Linda; Schwarz, J. Luca; Saladrigas, Mar; Daniliuc, Constantin G.; Glorius, Frank","Direct Access to Monoprotected Homoallylic 1,2-Diols via Dual Chromium/Photoredox Catalysis","ACS Catalysis","2020","","","11841","11847","10.1021/acscatal.0c03697","","","1.54178","CuKα","","0.0282","0.0272","","","0.0669","0.0675","","","","","","1.076","","","","has coordinates,has disorder","256806","2020-10-21","18:00:00",""
"4518092","10.8133","0.0011","18.3449","0.0019","22.899","0.002","90","","90","","90","","4542.4","0.8","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H52 F6 Mn N4 O6 S2 -","- C42 H52 F6 Mn N4 O6 S2 -","- C168 H208 F24 Mn4 N16 O24 S8 -","4","1","","Lin, Jin; Miao, Chengxia; Wang, Fang; Yang, Peiju; Sun, Qiangsheng; Sun, Wei","Effect of Ligand Topology on the Reactivity of Chiral Tetradentate Aminopyridine Manganese Complexes","ACS Catalysis","2020","","","11857","11863","10.1021/acscatal.0c02634","","","0.71073","MoKα","","0.1211","0.0852","","","0.2218","0.2484","","","","","","1.049","","","","has coordinates","256828","2020-10-21","18:00:00",""
"4518093","18.048","0.008","18.048","0.008","18.684","0.008","90","","90","","90","","6086","5","153","2","153","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C53 H76 Cl2 F6 Mn N4 O9 S2 -","- C53 H76 Cl2 F6 Mn N4 O9 S2 -","- C212 H304 Cl8 F24 Mn4 N16 O36 S8 -","4","0.5","","Lin, Jin; Miao, Chengxia; Wang, Fang; Yang, Peiju; Sun, Qiangsheng; Sun, Wei","Effect of Ligand Topology on the Reactivity of Chiral Tetradentate Aminopyridine Manganese Complexes","ACS Catalysis","2020","","","11857","11863","10.1021/acscatal.0c02634","","","0.71073","MoKα","","0.0562","0.0512","","","0.1407","0.1469","","","","","","1.067","","","","has coordinates","256829","2020-10-21","18:00:00",""
"4518094","15.2678","0.0016","15.2678","0.0016","17.167","0.002","90","","90","","90","","4001.7","0.8","298","2","298","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C36 H40 F6 Mn N4 O8 S2 -","- C36 H40 F6 Mn N4 O8 S2 -","- C144 H160 F24 Mn4 N16 O32 S8 -","4","0.5","","Lin, Jin; Miao, Chengxia; Wang, Fang; Yang, Peiju; Sun, Qiangsheng; Sun, Wei","Effect of Ligand Topology on the Reactivity of Chiral Tetradentate Aminopyridine Manganese Complexes","ACS Catalysis","2020","","","11857","11863","10.1021/acscatal.0c02634","","","0.71073","MoKα","","0.1302","0.0491","","","0.0815","0.0989","","","","","","1.004","","","","has coordinates","256830","2020-10-21","18:00:00",""
"4518095","10.8038","0.0008","18.2978","0.0014","22.8902","0.0017","90","","90","","90","","4525.1","0.6","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H52 F6 Mn N4 O6 S2 -","- C42 H52 F6 Mn N4 O6 S2 -","- C168 H208 F24 Mn4 N16 O24 S8 -","4","1","","Lin, Jin; Miao, Chengxia; Wang, Fang; Yang, Peiju; Sun, Qiangsheng; Sun, Wei","Effect of Ligand Topology on the Reactivity of Chiral Tetradentate Aminopyridine Manganese Complexes","ACS Catalysis","2020","","","11857","11863","10.1021/acscatal.0c02634","","","0.71073","MoKα","","0.1308","0.085","","","0.2314","0.2675","","","","","","1.086","","","","has coordinates","256831","2020-10-21","18:00:00",""
"4518096","34.9242","0.0003","34.9242","0.0003","24.1417","0.0002","90","","90","","120","","25500.7","0.4","99.98","0.13","99.98","0.13","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C182 H240 Ag30 B80 N4 O4 P12 S24 -","- C182 H240 Ag30 B80 N4 O4 P12 S24 -","- C546 H720 Ag90 B240 N12 O12 P36 S72 -","3","0.5","","Huang, Jia-Hong; Wang, Zhao-Yang; Zang, Shuang-Quan; Mak, Thomas C. W.","Spontaneous Resolution of Chiral Multi-Thiolate-Protected Ag30 Nanoclusters","ACS Central Science","2020","","","","","10.1021/acscentsci.0c01045","","x-ray","1.54184","CuKα","","0.0624","0.0481","","","0.1217","0.1288","","","","","","0.953","","","","has coordinates,has disorder","256866","2020-10-21","18:00:00",""
"4518097","34.8668","0.0013","34.8668","0.0013","24.0968","0.0006","90","","90","","120","","25369.6","1.5","100","0.1","100","0.1","","","","","","","","8","P 31 2 1","P 31 2""","152","","","","- C182 H240 Ag30 B80 N4 O4 P12 S24 -","- C182 H240 Ag30 B80 N4 O4 P12 S24 -","- C546 H720 Ag90 B240 N12 O12 P36 S72 -","3","0.5","","Huang, Jia-Hong; Wang, Zhao-Yang; Zang, Shuang-Quan; Mak, Thomas C. W.","Spontaneous Resolution of Chiral Multi-Thiolate-Protected Ag30 Nanoclusters","ACS Central Science","2020","","","","","10.1021/acscentsci.0c01045","","x-ray","1.54184","CuKα","","0.1286","0.0793","","","0.192","0.2287","","","","","","0.929","","","","has coordinates","256867","2020-10-21","18:00:00",""
"4518098","20.838","0.005","9.193","0.002","8.4373","0.0019","90","","95.134","0.005","90","","1609.8","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-di-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16- benzohexaoxacyclooctadecin-18-yldiazene","","- C32 H46 N2 O12 -","- C32 H46 N2 O12 -","- C64 H92 N4 O24 -","2","0.5","","Ushakov, Evgeny N.; Martyanov, Timofey P.; Vedernikov, Artem I.; Efremova, Asya A.; Moiseeva, Anna A.; Kuz’mina, Lyudmila G.; Dmitrieva, Svetlana N.; Howard, Judith A. K.; Gromov, Sergey P.","Highly Stable Supramolecular Donor‒Acceptor Complexes Involving a Bis(18-Crown-6)azobenzene as Weak Donor: Structure‒Property Relationships","ACS Omega","2020","","","","","10.1021/acsomega.0c03441","","","0.71073","MoKα","","0.1231","0.0885","","","0.2106","0.224","","","","","","1.037","","","","has coordinates,has disorder","256868","2020-10-21","18:00:00",""
"4518099","16.5989","0.0006","8.1632","0.0003","28.6162","0.0011","90","","92.816","0.004","90","","3872.8","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","complex between (E)-di-2,3,5,6,8,9,11,12,14,15-decahydro- 1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yldiazene and 2-bromoethylammonium bromide","","- C48 H102 Br16 N10 O12 -","- C48 H102 Br16 N10 O12 -","- C96 H204 Br32 N20 O24 -","2","0.5","","Ushakov, Evgeny N.; Martyanov, Timofey P.; Vedernikov, Artem I.; Efremova, Asya A.; Moiseeva, Anna A.; Kuz’mina, Lyudmila G.; Dmitrieva, Svetlana N.; Howard, Judith A. K.; Gromov, Sergey P.","Highly Stable Supramolecular Donor‒Acceptor Complexes Involving a Bis(18-Crown-6)azobenzene as Weak Donor: Structure‒Property Relationships","ACS Omega","2020","","","","","10.1021/acsomega.0c03441","","","0.71073","MoKα","","0.1358","0.0823","","","0.1842","0.2111","","","","","","1.039","","","","has coordinates,has disorder","256869","2020-10-21","18:00:00",""
"4518100","12.5838","0.0003","16.0616","0.0004","17.8292","0.0005","71.082","0.001","79.353","0.001","80.748","0.001","3330.45","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","complex between (E)-di-2,3,5,6,8,9,11,12,14,15-decahydro- 1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yldiazene and 2,7-bis(3-ammoniopropyl)benzo[lmn][3,8]phenanthrolinediium tetraperchlorate, acetonitrile and benzene solvate","","- C57 H78 Cl4 N7 O28 -","- C57 H78 Cl4 N7 O28 -","- C114 H156 Cl8 N14 O56 -","2","1","","Ushakov, Evgeny N.; Martyanov, Timofey P.; Vedernikov, Artem I.; Efremova, Asya A.; Moiseeva, Anna A.; Kuz’mina, Lyudmila G.; Dmitrieva, Svetlana N.; Howard, Judith A. K.; Gromov, Sergey P.","Highly Stable Supramolecular Donor‒Acceptor Complexes Involving a Bis(18-Crown-6)azobenzene as Weak Donor: Structure‒Property Relationships","ACS Omega","2020","","","","","10.1021/acsomega.0c03441","","","0.71073","MoKα","","0.1906","0.1119","","","0.3279","0.3653","","","","","","1.139","","","","has coordinates,has disorder","256871","2020-10-21","18:00:00",""
"4518101","7.5432","0.0001","17.2692","0.0003","18.1411","0.0003","90","","90","","90","","2363.15","0.06","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 O2 S2 -","- C24 H38 O2 S2 -","- C96 H152 O8 S8 -","4","1","","Santalla, Hugo; Gándara, Zoila; Gómez-Bouzó, Uxía; Gómez, Generosa; Fall, Yagamare","Easy Access to Polyfunctionalized Chiral Decalins","ACS Omega","2020","","","","","10.1021/acsomega.0c03504","","","1.54178","CuKα","","0.0307","0.0299","","","0.0814","0.0823","","","","","","1.054","","","","has coordinates","256872","2020-10-21","18:00:00",""
"4518102","7.3051","0.0014","9.8993","0.0019","19.553","0.004","90","","90","","90","","1414","0.5","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Cl2 N2 O2 -","- C15 H12 Cl2 N2 O2 -","- C60 H48 Cl8 N8 O8 -","4","1","","Centko, Ryan M.; Carlile, Graeme W.; Barne, Isabel; Patrick, Brian O.; Blagojevic, Polina; Thomas, David Y.; Andersen, Raymond J.","Combination of Selective PARP3 and PARP16 Inhibitory Analogues of Latonduine A Corrects F508del-CFTR Trafficking","ACS Omega","2020","","","","","10.1021/acsomega.0c02467","","x-ray","0.71073","MoKα","","0.0434","0.0329","","","0.064","0.0679","","","","","","1.027","","","","has coordinates","256873","2020-10-21","18:00:00",""
"4518103","11.568","0.0003","14.8438","0.0004","12.2105","0.0003","90","","94.94","0.007","90","","2088.91","0.1","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O5 -","- C25 H25 N O5 -","- C100 H100 N4 O20 -","4","2","","Harada, Shingo; Yanagawa, Mai; Nemoto, Tetsuhiro","Dual-Functional Enone-Directing Group/Electrophile for Sequential C‒C Bond Formation with α-Diazomalonates: A Short Synthesis of Chiral 3,4-Fused Tricyclic Indoles","ACS Catalysis","2020","","","11971","11979","10.1021/acscatal.0c03940","","","1.54187","CuKα","","0.0535","0.0425","","","0.0958","0.1001","","","","","","1.071","","","","has coordinates","256888","2020-10-21","18:00:00",""
"4518104","13.8479","0.0006","13.8479","0.0006","22.9802","0.001","90","","90","","120","","3816.4","0.3","112.1","0.4","112.1","0.4","","","","","","","","4","P 61","P 61","169","","","","- C25 H33 N3 O5 -","- C25 H33 N3 O5 -","- C150 H198 N18 O30 -","6","1","","Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K.","Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid.","ACS omega","2020","5","40","26141","26152","10.1021/acsomega.0c03729","","x-ray","1.54184","CuKα","","0.1417","0.1121","","","0.2865","0.3197","","","","","","1.128","","","","has coordinates","258703","2020-11-04","01:18:01",""
"4518105","9.7164","0.0004","12.392","0.0004","7.6809","0.0003","90","","105.389","0.004","90","","891.67","0.06","293","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","NRD_50","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C40 H40 N8 O8 -","4","1","","Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K.","Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid.","ACS omega","2020","5","40","26141","26152","10.1021/acsomega.0c03729","","x-ray","1.54184","CuKα","","0.0853","0.0805","","","0.2538","0.262","","","","","","1.0341","","","","has coordinates","258703","2020-11-04","01:18:03",""
"4518106","11.5951","0.0002","15.3645","0.0003","18.9752","0.0005","90","","90","","90","","3380.49","0.13","296.54","0.18","296.54","0.18","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C1.97 H2.67 N0.25 O0.44 -","- C1.96825 H2.66667 N0.253968 O0.444444 -","- C124 H168 N16 O28 -","63","15.75","","Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K.","Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid.","ACS omega","2020","5","40","26141","26152","10.1021/acsomega.0c03729","","x-ray","1.54184","CuKα","","0.0811","0.0683","","","0.2023","0.2176","","","","","","1.057","","","","has coordinates","258703","2020-11-04","01:18:03",""
"4518107","26.555","0.01","6.0271","0.0013","28.976","0.013","90","","115.99","0.05","90","","4169","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 N3 O6 -","- C18 H25 N3 O6 -","- C144 H200 N24 O48 -","8","1","","Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K.","Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid.","ACS omega","2020","5","40","26141","26152","10.1021/acsomega.0c03729","","x-ray","0.71073","MoKα","","0.1017","0.0617","","","0.1543","0.1731","","","","","","1.001","","","","has coordinates","258703","2020-11-04","01:18:03",""
"4518108","6.4796","0.0002","10.8112","0.0004","17.4816","0.0006","90","","90","","90","","1224.63","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Br N -","- C14 H18 Br N -","- C56 H72 Br4 N4 -","4","1","","Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin","Enantioselective Cyanoborylation of Allenes by N-Heterocyclic Carbene-Copper Catalysts","ACS Catalysis","2020","","","11685","11692","10.1021/acscatal.0c03018","","","0.71073","MoKα","","0.0258","0.0235","","","0.0557","0.0567","","","","","","1.045","","","","has coordinates","256945","2020-10-21","18:00:00",""
"4518109","10.9416","0.0017","5.8946","0.0009","8.9783","0.0013","90","","112.366","0.006","90","","535.51","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 F N O -","- C5 H8 F N O -","- C20 H32 F4 N4 O4 -","4","1","","Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank","Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation","ACS Catalysis","2020","","","12052","12057","10.1021/acscatal.0c03278","","","0.71073","MoKα","","0.04","0.0383","","","0.0924","0.0934","","","","","","1.074","","","","has coordinates,has disorder","256946","2020-10-21","18:00:00",""
"4518110","6.8234","0.0008","7.0364","0.0007","11.2928","0.0013","90","","93.296","0.005","90","","541.29","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 F N O -","- C5 H8 F N O -","- C20 H32 F4 N4 O4 -","4","1","","Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank","Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation","ACS Catalysis","2020","","","12052","12057","10.1021/acscatal.0c03278","","","1.54178","CuKα","","0.0435","0.0362","","","0.084","0.0891","","","","","","1.121","","","","has coordinates","256946","2020-10-21","18:00:00",""
"4518111","16.6845","0.0004","6.2599","0.0002","21.2252","0.0005","90","","90","","90","","2216.83","0.1","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H13 F4 N -","- C12 H13 F4 N -","- C96 H104 F32 N8 -","8","1","","Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank","Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation","ACS Catalysis","2020","","","12052","12057","10.1021/acscatal.0c03278","","","1.54178","CuKα","","0.0487","0.0414","","","0.1105","0.1157","","","","","","1.029","","","","has coordinates,has disorder","256946","2020-10-21","18:00:00",""
"4518112","12.8484","0.0003","8.4676","0.0002","11.8938","0.0003","90","","95.519","0.001","90","","1287.99","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 F4 N2 O -","- C13 H14 F4 N2 O -","- C52 H56 F16 N8 O4 -","4","1","","Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank","Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation","ACS Catalysis","2020","","","12052","12057","10.1021/acscatal.0c03278","","","1.54178","CuKα","","0.0387","0.0334","","","0.0856","0.0892","","","","","","1.042","","","","has coordinates","256946","2020-10-21","18:00:00",""
"4518113","11.8985","0.0002","7.4145","0.0002","15.3304","0.0003","90","","101.584","0.001","90","","1324.92","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 F N2 O2 -","- C13 H19 F N2 O2 -","- C52 H76 F4 N8 O8 -","4","1","","Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank","Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation","ACS Catalysis","2020","","","12052","12057","10.1021/acscatal.0c03278","","","1.54178","CuKα","","0.0579","0.0486","","","0.1262","0.1338","","","","","","1.059","","","","has coordinates","256946","2020-10-21","18:00:00",""
"4518114","4.7931","0.0002","12.9627","0.0005","12.803","0.0005","90","","97.469","0.001","90","","788.72","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 F N2 O -","- C7 H11 F N2 O -","- C28 H44 F4 N8 O4 -","4","1","","Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank","Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation","ACS Catalysis","2020","","","12052","12057","10.1021/acscatal.0c03278","","","0.71073","MoKα","","0.0417","0.0374","","","0.0899","0.093","","","","","","1.09","","","","has coordinates,has disorder","256946","2020-10-21","18:00:00",""
"4518115","6.6025","0.0002","7.3672","0.0002","7.036","0.0002","90","","90.746","0.002","90","","342.216","0.017","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H11 Cl F N -","- C5 H11 Cl F N -","- C10 H22 Cl2 F2 N2 -","2","1","","Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank","Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation","ACS Catalysis","2020","","","12052","12057","10.1021/acscatal.0c03278","","","1.54178","CuKα","","0.0341","0.033","","","0.086","0.0866","","","","","","1.172","","","","has coordinates","256946","2020-10-21","18:00:00",""
"4518116","11.6007","0.0008","5.3802","0.0003","20.9518","0.0016","90","","105.418","0.008","90","","1260.63","0.16","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H30 N2 O6 -","- C28 H30 N2 O6 -","- C56 H60 N4 O12 -","2","1","","Li, Long; Yin, Xian-Hong; Diao, Kai-Sheng","Improving the Solubility and Bioavailability of Pemafibrate via a New Polymorph Form II.","ACS omega","2020","5","40","26245","26252","10.1021/acsomega.0c04005","","x-ray","0.71073","MoKα","","0.0949","0.0657","","","0.1509","0.1707","","","","","","1.059","","","","has coordinates","258704","2020-11-04","01:18:12",""
"4518117","16.4435","0.0008","25.9075","0.0014","14.3563","0.0007","90","","90","","90","","6115.9","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H26 Mn N5 O6 -","- C30 H26 Mn N5 O6 -","- C240 H208 Mn8 N40 O48 -","8","1","","Gogia, Alisha; Das, Prasenjit; Mandal, Sanjay K.","Tunable Strategies Involving Flexibility and Angularity of Dual Linkers for a 3D Metal-Organic Framework Capable of Multimedia Iodine Capture.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c13094","","","0.71073","MoKα","","0.0775","0.0495","","","0.1291","0.1516","","","","","","1.087","","","","has coordinates","258176","2020-10-21","18:00:00",""
"4518118","12.526","0.005","14.871","0.005","16.95","0.006","104.52","0.008","100.667","0.008","99.634","0.008","2926.9","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H58 Mn2 N10 O12 -","- C63 H58 Mn2 N10 O12 -","- C126 H116 Mn4 N20 O24 -","2","1","","Gogia, Alisha; Das, Prasenjit; Mandal, Sanjay K.","Tunable Strategies Involving Flexibility and Angularity of Dual Linkers for a 3D Metal-Organic Framework Capable of Multimedia Iodine Capture.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c13094","","","0.71073","MoKα","","0.0475","0.0351","","","0.0914","0.1027","","","","","","1.066","","","","has coordinates","258177","2020-10-21","18:00:00",""
"4518119","15.4262","0.0003","17.0323","0.0003","19.6403","0.0004","90","","111.781","0.003","90","","4791.96","0.19","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C47 H51 Al Cl4 N5 O4 P2 Rh -","- C47 H51 Al Cl4 N5 O4 P2 Rh -","- C188 H204 Al4 Cl16 N20 O16 P8 Rh4 -","4","1","","Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu","Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand","ACS Catalysis","2020","10","20","12223","12228","10.1021/acscatal.0c02779","","","0.71073","MoKα","","0.0667","0.0494","","","0.1201","0.1278","","","","","","1.107","","","","has coordinates","258696","2020-11-04","01:15:24",""
"4518120","16.4861","0.0002","17.1218","0.0002","18.1159","0.0002","102.604","0.001","96.8135","0.001","92.8749","0.0009","4939.85","0.1","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H68 Cl14 Ga4 N8 P4 Rh2 -","- C88 H68 Cl14 Ga4 N8 P4 Rh2 -","- C176 H136 Cl28 Ga8 N16 P8 Rh4 -","2","1","","Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu","Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand","ACS Catalysis","2020","10","20","12223","12228","10.1021/acscatal.0c02779","","","0.71073","MoKα","","0.109","0.0988","","","0.2187","0.2224","","","","","","1.231","","","","has coordinates,has disorder","258696","2020-11-04","01:15:24",""
"4518121","12.4389","0.0001","13.5826","0.0003","15.0995","0.0003","83.4699","0.0017","80.9723","0.0015","86.2699","0.0013","2500.25","0.08","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H45 Cl7 In2 N3 O2 P2 Rh -","- C47 H45 Cl7 In2 N3 O2 P2 Rh -","- C94 H90 Cl14 In4 N6 O4 P4 Rh2 -","2","1","","Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu","Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand","ACS Catalysis","2020","10","20","12223","12228","10.1021/acscatal.0c02779","","","1.54184","CuKα","","0.0285","0.0255","","","0.0612","0.0624","","","","","","1.079","","","","has coordinates,has disorder","258696","2020-11-04","01:15:24",""
"4518122","37.4179","0.0001","14.6854","0.0001","22.6886","0.0001","90","","90.5378","0.0003","90","","12466.8","0.11","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C126 H110 Cl12 Ga4 N6 O3 P6 Rh2 -","- C126 H110 Cl12 Ga4 N6 O3 P6 Rh2 -","- C504 H440 Cl48 Ga16 N24 O12 P24 Rh8 -","4","0.5","","Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu","Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand","ACS Catalysis","2020","10","20","12223","12228","10.1021/acscatal.0c02779","","","1.54184","CuKα","","0.0334","0.0324","","","0.0893","0.09","","","","","","1.065","","","","has coordinates,has disorder","258696","2020-11-04","01:15:24",""
"4518123","12.2209","0.0008","14.4974","0.0009","14.8694","0.001","111.642","0.001","103.266","0.001","101.58","0.001","2261.7","0.3","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H60 Cu2 N30 O46 Si W12 -","- C48 H60 Cu2 N30 O46 Si W12 -","- C48 H60 Cu2 N30 O46 Si W12 -","1","0.5","","Wang, Xiu-Li; Tian, Yuan; Chang, Zhi-Han; Lin, Hongyan","A Series of Polyoxometalate-Based Metal‒Bis(pyridyl-tetrazole) Complexes with High Electrocatalytic Activity for Hydrogen Evolution Reaction in Alkaline and Acid Media","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c05459","","x-ray","0.71073","MoKα","","0.085","0.0688","","","0.1488","0.1569","","","","","","1.118","","","","has coordinates","258184","2020-10-21","18:00:00",""
"4518124","12.2804","0.0011","12.5014","0.0011","14.7202","0.0014","67.243","0.002","66.628","0.002","87.759","0.002","1895.4","0.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H60 Cu2 N20 O52 Si W12 -","- C34 H60 Cu2 N20 O52 Si W12 -","- C34 H60 Cu2 N20 O52 Si W12 -","1","0.5","","Wang, Xiu-Li; Tian, Yuan; Chang, Zhi-Han; Lin, Hongyan","A Series of Polyoxometalate-Based Metal‒Bis(pyridyl-tetrazole) Complexes with High Electrocatalytic Activity for Hydrogen Evolution Reaction in Alkaline and Acid Media","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c05459","","x-ray","0.71073","MoKα","K-L~3~","0.0745","0.0592","","","0.1265","0.134","","","","","","1.161","","","","has coordinates,has disorder","258184","2020-10-21","18:00:00",""
"4518125","12.358","0.005","13.96","0.005","15.641","0.005","110.467","0.005","104.354","0.005","96.738","0.005","2386.4","1.5","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H72 Cu2 N30 O46 Si W12 -","- C54 H60 Cu2 N30 O46 Si W12 -","- C54 H60 Cu2 N30 O46 Si W12 -","1","0.5","","Wang, Xiu-Li; Tian, Yuan; Chang, Zhi-Han; Lin, Hongyan","A Series of Polyoxometalate-Based Metal‒Bis(pyridyl-tetrazole) Complexes with High Electrocatalytic Activity for Hydrogen Evolution Reaction in Alkaline and Acid Media","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c05459","","x-ray","0.71069","MoKα","","0.0776","0.0527","","","0.1262","0.1408","","","","","","1.021","","","","has coordinates,has disorder","258184","2020-10-21","18:00:00",""
"4518126","18.4812","0.0013","20.0663","0.0014","16.503","0.0012","90","","97.1637","0.001","90","","6072.4","0.7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H74 Cu2 F6 N8 O16 S2 -","- C55 H64 Cu2 F6 N8 O16 S2 -","- C220 H256 Cu8 F24 N32 O64 S8 -","4","1","","La Cognata, Sonia; Mobili, Riccardo; Merlo, Francesca; Speltini, Andrea; Boiocchi, Massimo; Recca, Teresa; Maher, 3rd, Louis J; Amendola, Valeria","Sensing and Liquid-Liquid Extraction of Dicarboxylates Using Dicopper Cryptates.","ACS omega","2020","5","41","26573","26582","10.1021/acsomega.0c03337","","","0.7107","MoKα","","0.1245","0.0742","","","0.1855","0.2203","","","","","","1.026","","","","has coordinates,has disorder","258697","2020-11-04","01:16:12",""
"4518127","10.2103","0.0006","17.798","0.0011","17.8614","0.0011","66.3506","0.0012","86.0444","0.0013","80.6582","0.0013","2933.8","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H67 Cu2 F6 N8 O14 S2 -","- C54 H59 Cu2 F6 N8 O14 S2 -","- C108 H118 Cu4 F12 N16 O28 S4 -","2","1","","La Cognata, Sonia; Mobili, Riccardo; Merlo, Francesca; Speltini, Andrea; Boiocchi, Massimo; Recca, Teresa; Maher, 3rd, Louis J; Amendola, Valeria","Sensing and Liquid-Liquid Extraction of Dicarboxylates Using Dicopper Cryptates.","ACS omega","2020","5","41","26573","26582","10.1021/acsomega.0c03337","","","0.7107","MoKα","","0.0808","0.0653","","","0.2011","0.2169","","","","","","1.056","","","","has coordinates,has disorder","258697","2020-11-04","01:16:14",""
"4518128","18.6107","0.0018","20.1138","0.0019","16.3528","0.0016","90","","96.202","0.001","90","","6085.5","1","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H74 Cu2 F6 N8 O14 S2 -","- C55 H66 Cu2 F6 N8 O14 S2 -","- C220 H264 Cu8 F24 N32 O56 S8 -","4","1","","La Cognata, Sonia; Mobili, Riccardo; Merlo, Francesca; Speltini, Andrea; Boiocchi, Massimo; Recca, Teresa; Maher, 3rd, Louis J; Amendola, Valeria","Sensing and Liquid-Liquid Extraction of Dicarboxylates Using Dicopper Cryptates.","ACS omega","2020","5","41","26573","26582","10.1021/acsomega.0c03337","","","0.7107","MoKα","","0.1155","0.0792","","","0.227","0.2597","","","","","","1.057","","","","has coordinates,has disorder","258697","2020-11-04","01:16:14",""
"4518129","9.9434","0.0008","20.0627","0.0015","11.3209","0.001","90","","107.969","0.003","90","","2148.3","0.3","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 B2 Cl2 F4 N4 -","- C38 H32 B2 Cl2 F4 N4 -","- C76 H64 B4 Cl4 F8 N8 -","2","0.5","","Wu, Qinghua; Zhu, Yucheng; Fang, Xingbao; Hao, Xiangyu; Jiao, Lijuan; Hao, Erhong; Zhang, Weian","Conjugated BODIPY Oligomers with Controllable Near-Infrared Absorptions as Promising Phototheranostic Agents through Excited-State Intramolecular Rotations.","ACS applied materials & interfaces","2020","12","42","47208","47219","10.1021/acsami.0c11701","","","0.71073","MoKα","","0.08","0.0601","","","0.1663","0.185","","","","","","1.069","","","","has coordinates","258695","2020-11-04","01:14:47",""
"4518130","7.1106","0.0003","8.8828","0.0003","9.8984","0.0003","77.175","0.001","89.3","0.001","74.07","0.001","585.4","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H12 F3 N O2 S -","- C11 H12 F3 N O2 S -","- C22 H24 F6 N2 O4 S2 -","2","1","","Ge, Hangming; Wu, Botao; Liu, Yafei; Wang, Haoyang; Shen, Qilong","Synergistic Lewis Acid and Photoredox-Catalyzed Trifluoromethylative Difunctionalization of Alkenes with Selenium Ylide-Based Trifluoromethylating Reagent","ACS Catalysis","2020","","","12414","12424","10.1021/acscatal.0c03776","","","0.71073","MoKα","","0.0379","0.0356","","","0.0931","0.0955","","","","","","1.04","","","","has coordinates","258268","2020-10-21","18:00:00",""
"4518131","9.9179","0.0003","11.9722","0.0003","13.8685","0.0004","93.109","0.001","92.712","0.001","91.78","0.001","1641.53","0.08","125","2","125","2","","","","","","","","5","P 1","P 1","1","","","","- C42 H32 N2 Pt S2 -","- C42 H32 N2 Pt S2 -","- C84 H64 N4 Pt2 S4 -","2","2","","Anderson, Craig M.; Coffey, Belle; Morales, Leslie; Greenberg, Matthew W.; Norman, Matthew; Weinstein, Michael; Brown, Garrett; Tanski, Joseph M.","Platinum Complexes from C-H Activation of Sterically Hindered [C^N] Donor Benzothiophene Imine Ligands: Synthesis and Photophysical Properties.","ACS omega","2020","5","41","26855","26863","10.1021/acsomega.0c03993","","","0.71073","MoKα","","0.0366","0.0322","","","0.0733","0.076","","","","","","1.035","","","","has coordinates","258698","2020-11-04","01:16:22",""
"4518132","5.1496","0.0009","13.045","0.002","7.1182","0.0012","90","","110.335","0.004","90","","448.37","0.13","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F4 Li5 O8 S2 V -","- F4 Li5 O8 S2 V -","- F8 Li10 O16 S4 V2 -","2","0.5","","Vincent, Rebecca C.; Vishnoi, Pratap; Preefer, Molleigh B.; Shen, Jimmy-Xuan; Seeler, Fabian; Persson, Kristin A.; Seshadri, Ram","Li<sub>5</sub>VF<sub>4</sub>(SO<sub>4</sub>)<sub>2</sub>: A Prototype High-Voltage Li-Ion Cathode.","ACS applied materials & interfaces","2020","12","43","48662","48668","10.1021/acsami.0c14781","","","0.71073","MoKα","","0.0716","0.0508","","","0.1256","0.1384","","","","","","1.061","","","","has coordinates","258694","2020-11-04","01:14:37",""
"4518133","12.236","0.0001","21.4326","0.0001","20.1723","0.0001","90","","103.841","0.001","90","","5136.56","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H37 Al Cl10 N2 O2 -","- C57 H37 Al Cl10 N2 O2 -","- C228 H148 Al4 Cl40 N8 O8 -","4","1","","Hubbell, Aran K.; Lamb, Jessica R.; Klimovica, Kristine; Mulzer, Michael; Shaffer, Timothy D.; MacMillan, Samantha N.; Coates, Geoffrey W.","Catalyst-Controlled Regioselective Carbonylation of Isobutylene Oxide to Pivalolactone","ACS Catalysis","2020","","","12537","12543","10.1021/acscatal.0c03492","","x-ray","1.54184","CuKα","","0.0366","0.0352","","","0.0953","0.0962","","","","","","1.029","","","","has coordinates,has disorder","258342","2020-10-21","18:00:00",""
"4518134","14.16596","0.00004","24.26807","0.00008","21.69468","0.00007","90","","95.347","0.0003","90","","7425.75","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C96 H86 Al B N2 O7 -","- C96 H86 Al B N2 O7 -","- C384 H344 Al4 B4 N8 O28 -","4","2","","Hubbell, Aran K.; Lamb, Jessica R.; Klimovica, Kristine; Mulzer, Michael; Shaffer, Timothy D.; MacMillan, Samantha N.; Coates, Geoffrey W.","Catalyst-Controlled Regioselective Carbonylation of Isobutylene Oxide to Pivalolactone","ACS Catalysis","2020","","","12537","12543","10.1021/acscatal.0c03492","","x-ray","1.54184","CuKα","","0.0404","0.0393","","","0.1056","0.1066","","","","","","1.03","","","","has coordinates","258343","2020-10-21","18:00:00",""
"4518135","20.829","0.0005","6.8342","0.0002","10.208","0.0003","90","","112.556","0.002","90","","1341.95","0.07","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H28 N2 O2 -","- C36 H28 N2 O2 -","- C72 H56 N4 O4 -","2","0.5","","Al-Resayes, Saud I; Azam, Mohammad; Trzesowska-Kruszynska, Agata; Kruszynski, Rafal; Soliman, Saied M.; Mohapatra, Ranjan K.; Khan, Zahid","Structural and Theoretical Investigations, Hirshfeld Surface Analyses, and Cytotoxicity of a Naphthalene-Based Chiral Compound.","ACS omega","2020","5","42","27227","27234","10.1021/acsomega.0c03376","","","1.54178","","","0.0263","0.0259","","","0.0701","0.0706","","","","","","1.047","","","","has coordinates","258701","2020-11-04","01:17:07",""
"4518136","12.8882","0.0012","16.8832","0.0015","7.8668","0.0007","90","","106.261","0.003","90","","1643.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N5 O2 S -","- C18 H15 N5 O2 S -","- C72 H60 N20 O8 S4 -","4","1","","Shyamsivappan, Selvaraj; Saravanan, Arjunan; Vandana, Nandakumar; Suresh, Thangaraj; Suresh, Shanmugam; Nandhakumar, Raju; Mohan, Palathurai Subramaniam","Novel Quinoline-Based Thiazole Derivatives for Selective Detection of Fe<sup>3+</sup>, Fe<sup>2+</sup>, and Cu<sup>2+</sup> Ions.","ACS omega","2020","5","42","27245","27253","10.1021/acsomega.0c03445","","","0.71073","MoKα","","0.0579","0.0425","","","0.1032","0.112","","","","","","1.029","","","","has coordinates","258702","2020-11-04","01:17:18",""
"4518137","13.888","0.002","4.7349","0.0008","23.274","0.004","90","","91.509","0.006","90","","1529.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N5 O2 S -","- C16 H13 N5 O2 S -","- C64 H52 N20 O8 S4 -","4","1","","Shyamsivappan, Selvaraj; Saravanan, Arjunan; Vandana, Nandakumar; Suresh, Thangaraj; Suresh, Shanmugam; Nandhakumar, Raju; Mohan, Palathurai Subramaniam","Novel Quinoline-Based Thiazole Derivatives for Selective Detection of Fe<sup>3+</sup>, Fe<sup>2+</sup>, and Cu<sup>2+</sup> Ions.","ACS omega","2020","5","42","27245","27253","10.1021/acsomega.0c03445","","","0.71073","MoKα","","0.0754","0.0578","","","0.1422","0.1604","","","","","","1.058","","","","has coordinates","258702","2020-11-04","01:17:26",""
"4518138","10.8529","0.0007","10.9058","0.0006","19.7841","0.0011","91.038","0.002","97.961","0.002","104.293","0.003","2243.9","0.2","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H13 Cl2 N4 O8 S2 Zn2 -","- C30 H13 Cl2 N4 O8 S2 Zn2 -","- C60 H26 Cl4 N8 O16 S4 Zn4 -","2","1","","Liu, Ting; Cui, Hui; Zhang, Xin; Zhang, Zhi-Yin; Lin, Rui-Biao; Liang, Bin; Zhang, Jian; Li, Dan; Chen, Banglin","Doubly Interpenetrated Metal-Organic Framework of pcu Topology for Selective Separation of Propylene from Propane.","ACS applied materials & interfaces","2020","12","43","48712","48717","10.1021/acsami.0c15517","","","0.7288","MoKa","","0.096","0.0632","","","0.1855","0.2186","","","","","","0.738","","","","has coordinates,has disorder","258693","2020-11-04","01:14:29",""
"4518139","11.8747","0.0017","11.8747","0.0017","43.884","0.009","90","","90","","120","","5359","1.5","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C42.67 H28.17 Cl4 N2.83 O4.83 -","- C42.652 H28.188 Cl4 N2.884 O4.884 -","- C255.912 H169.128 Cl24 N17.304 O29.304 -","6","2","","Shang, Xiaobo; Song, Inho; Lee, Jeong Hyeon; Choi, Wanuk; Ahn, Jaeyong; Ohtsu, Hiroyoshi; Kim, Jin Chul; Koo, Jin Young; Kwak, Sang Kyu; Oh, Joon Hak","Surface-Doped Quasi-2D Chiral Organic Single Crystals for Chiroptical Sensing","ACS Nano","2020","","","","","10.1021/acsnano.0c07012","","","0.66002","synchrotron","","0.0844","0.0688","","","0.1682","0.1817","","","","","","0.994","","","","has coordinates","258383","2020-10-21","18:00:00",""
"4518140","11.835","0.0017","11.835","0.0017","43.729","0.009","90","","90","","120","","5304.4","1.5","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- C42.5 H27.83 Cl4 N2.83 O4.83 -","- C42.5365 H27.9185 Cl4 N2.8455 O4.8455 -","- C255.219 H167.511 Cl24 N17.073 O29.073 -","6","2","","Shang, Xiaobo; Song, Inho; Lee, Jeong Hyeon; Choi, Wanuk; Ahn, Jaeyong; Ohtsu, Hiroyoshi; Kim, Jin Chul; Koo, Jin Young; Kwak, Sang Kyu; Oh, Joon Hak","Surface-Doped Quasi-2D Chiral Organic Single Crystals for Chiroptical Sensing","ACS Nano","2020","","","","","10.1021/acsnano.0c07012","","","0.7","synchrotron","","0.0956","0.0861","","","0.2344","0.2443","","","","","","1.044","","","","has coordinates","258384","2020-10-21","18:00:00",""
"4518141","11.486","0.002","30.043","0.006","11.821","0.002","90","","118.92","0.03","90","","3570.4","1.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H23 Cl6.75 N2 O4 -","- C40.9475 H22.9475 Cl6.8425 N2 O4 -","- C163.79 H91.79 Cl27.37 N8 O16 -","4","2","","Shang, Xiaobo; Song, Inho; Lee, Jeong Hyeon; Choi, Wanuk; Ahn, Jaeyong; Ohtsu, Hiroyoshi; Kim, Jin Chul; Koo, Jin Young; Kwak, Sang Kyu; Oh, Joon Hak","Surface-Doped Quasi-2D Chiral Organic Single Crystals for Chiroptical Sensing","ACS Nano","2020","","","","","10.1021/acsnano.0c07012","","","0.66002","synchrotron","","0.0452","0.0433","","","0.1136","0.1152","","","","","","1.065","","","","has coordinates","258385","2020-10-21","18:00:00",""
"4518142","11.706","0.006","30.339","0.015","12.025","0.006","90","","118.785","0.014","90","","3743","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H23 Cl6.75 N2 O4 -","- C40.886 H22.886 Cl6.658 N2 O4 -","- C163.544 H91.544 Cl26.632 N8 O16 -","4","2","","Shang, Xiaobo; Song, Inho; Lee, Jeong Hyeon; Choi, Wanuk; Ahn, Jaeyong; Ohtsu, Hiroyoshi; Kim, Jin Chul; Koo, Jin Young; Kwak, Sang Kyu; Oh, Joon Hak","Surface-Doped Quasi-2D Chiral Organic Single Crystals for Chiroptical Sensing","ACS Nano","2020","","","","","10.1021/acsnano.0c07012","","","0.71073","MoKα","","0.118","0.0685","","","0.1735","0.2029","","","","","","1.014","","","","has coordinates","258386","2020-10-21","18:00:00",""
"4518143","12.058","0.003","9.432","0.002","14.999","0.004","90","","104.566","0.007","90","","1651","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Zhu, Min; Zhang, Xiao; Zheng, Chao; You, Shu-Li","Visible-Light-Induced Dearomatization via [2+2] Cycloaddition or 1,5-Hydrogen Atom Transfer: Divergent Reaction Pathways of Transient Diradicals","ACS Catalysis","2020","","","12618","12626","10.1021/acscatal.0c03808","","","0.71073","MoKα","","0.1217","0.0644","","","0.1388","0.1707","","","","","","1.047","","","","has coordinates","258426","2020-10-21","18:00:00",""
"4518144","11.248","0.0004","13.4191","0.0005","9.9224","0.0003","90","","96.859","0.001","90","","1486.95","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","1","","Zhu, Min; Zhang, Xiao; Zheng, Chao; You, Shu-Li","Visible-Light-Induced Dearomatization via [2+2] Cycloaddition or 1,5-Hydrogen Atom Transfer: Divergent Reaction Pathways of Transient Diradicals","ACS Catalysis","2020","","","12618","12626","10.1021/acscatal.0c03808","","","0.71073","MoKα","","0.0534","0.0414","","","0.1054","0.1159","","","","","","1.026","","","","has coordinates","258427","2020-10-21","18:00:00",""
"4518145","8.425","0.002","13.085","0.003","16.325","0.004","90","","104.597","0.007","90","","1741.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl N2 O2 -","- C20 H19 Cl N2 O2 -","- C80 H76 Cl4 N8 O8 -","4","1","","Zhu, Min; Zhang, Xiao; Zheng, Chao; You, Shu-Li","Visible-Light-Induced Dearomatization via [2+2] Cycloaddition or 1,5-Hydrogen Atom Transfer: Divergent Reaction Pathways of Transient Diradicals","ACS Catalysis","2020","","","12618","12626","10.1021/acscatal.0c03808","","","0.71073","MoKα","","0.109","0.0621","","","0.1531","0.1859","","","","","","1.036","","","","has coordinates","258428","2020-10-21","18:00:00",""
"4518146","8.567","0.0007","14.5739","0.001","15.62","0.0011","90","","97.596","0.002","90","","1933.1","0.2","150","0.1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br2 Co N4 -","- C20 H16 Br2 Co N4 -","- C80 H64 Br8 Co4 N16 -","4","1","","Dorval, Céline; Tricoire, Maxime; Begouin, Jeanne-Marie; Gandon, Vincent; Gosmini, Corinne","Cobalt-Catalyzed C(sp2)‒CN Bond Activation: Cross-Electrophile Coupling for Biaryl Formation and Mechanistic Insight","ACS Catalysis","2020","","","12819","12827","10.1021/acscatal.0c03903","","","0.71069","MoKα","","0.064","0.0369","","","0.0693","0.0776","","","","","","1.002","","","","has coordinates","258494","2020-10-21","18:00:00",""
"4518147","13.2935","0.0005","13.2935","0.0005","40.9","0.0016","90","","90","","120","","6259.4","0.4","150","","150.15","","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C120 H96 Br9 Co4 Mn2 N24 -","- C120 H96 Br9 Co4 Mn2 N24 -","- C240 H192 Br18 Co8 Mn4 N48 -","2","0.166667","","Dorval, Céline; Tricoire, Maxime; Begouin, Jeanne-Marie; Gandon, Vincent; Gosmini, Corinne","Cobalt-Catalyzed C(sp2)‒CN Bond Activation: Cross-Electrophile Coupling for Biaryl Formation and Mechanistic Insight","ACS Catalysis","2020","","","12819","12827","10.1021/acscatal.0c03903","","","0.71073","MoKα","","0.0443","0.0343","","","0.0796","0.0829","","","","","","1.022","","","","has coordinates","258494","2020-10-21","18:00:00",""
"4518148","8.9164","0.0003","49.9492","0.0016","25.1934","0.0009","90","","90","","90","","11220.3","0.7","220","0.1","220","0.1","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C42 H28 Br2 F12 N6 Os P2 -","- C42 H28 Br2 F12 N6 Os P2 -","- C336 H224 Br16 F96 N48 Os8 P16 -","8","0.25","","Ravetz, Benjamin D.; Tay, Nicholas E. S.; Joe, Candice L.; Sezen-Edmonds, Melda; Schmidt, Michael A.; Tan, Yichen; Janey, Jacob M.; Eastgate, Martin D.; Rovis, Tomislav","Development of a Platform for Near-Infrared Photoredox Catalysis","ACS Central Science","2020","","","","","10.1021/acscentsci.0c00948","","x-ray","0.71073","MoKα","","0.0664","0.0552","","","0.1087","0.1119","","","","","","1.296","","","","has coordinates,has disorder","258495","2020-10-21","18:00:00",""
"4518149","10.9772","0.0006","46.096","0.003","10.9795","0.0006","90","","93.001","0.001","90","","5548.1","0.6","100","2","100","2","","","","","","","","10","P 1 21 1","P 2yb","4","","","","- C96 H108 Cl8 F24 N2 O4 P4 Rh2 S2 Sb4 -","- C96 H108 Cl8 F24 N2 O4 P4 Rh2 S2 Sb4 -","- C192 H216 Cl16 F48 N4 O8 P8 Rh4 S4 Sb8 -","2","1","","Méndez, Isabel; Ferrer, Carlos; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Catalytic Enantioselective Alkylation of Indoles with trans-4-Methylthio-β-Nitrostyrene","ACS Omega","2020","5","43","27978","27989","10.1021/acsomega.0c03485","","","0.71073","MoKα","","0.0464","0.0426","","","0.099","0.1018","","","","","","1.033","","","","has coordinates","258700","2020-11-04","01:16:57",""
"4518150","10.976","0.0018","46","0.008","10.984","0.0018","90","","93.038","0.003","90","","5538","1.6","100","2","100","2","","","","","","","","10","P 1 21 1","P 2yb","4","","","","- C95 H110 Cl6 F24 Ir2 N2 O6 P4 S2 Sb4 -","- C95 H106 Cl6 F24 Ir2 N2 O6 P4 S2 Sb4 -","- C190 H212 Cl12 F48 Ir4 N4 O12 P8 S4 Sb8 -","2","1","","Méndez, Isabel; Ferrer, Carlos; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Catalytic Enantioselective Alkylation of Indoles with trans-4-Methylthio-β-Nitrostyrene","ACS Omega","2020","5","43","27978","27989","10.1021/acsomega.0c03485","","","0.71073","MoKα","","0.0606","0.0488","","","0.1042","0.1106","","","","","","0.987","","","","has coordinates","258700","2020-11-04","01:16:58",""
"4518151","12.3643","0.0015","11.0325","0.0016","7.2946","0.001","90","","90","","90","","995.1","0.2","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- Ba F2 Mo2 O10 Se2 -","- Ba F2 Mo2 O10 Se2 -","- Ba4 F8 Mo8 O40 Se8 -","4","0.5","","Lin, Lin; Jiang, Xingxing; Wu, Chao; Li, Longhua; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","Ba(MoO2F)2(XO3)2 (X = Se and Te): First Cases of Noncentrosymmetric Fluorinated Molybdenum Oxide Selenite/Tellurite Through Unary Substitution for Enlarging Band Gaps and Second Harmonic Generation","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15444","","","0.71073","MoKα","","0.054","0.0438","","","0.0886","0.0916","","","","","","1.098","","","","has coordinates","258538","2020-10-22","21:15:20",""
"4518152","12.5591","0.0014","11.0137","0.0009","7.2753","0.0008","90","","90","","90","","1006.34","0.18","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- Ba F2 Mo2 O10 Te2 -","- Ba F2 Mo2 O10 Te2 -","- Ba4 F8 Mo8 O40 Te8 -","4","0.5","","Lin, Lin; Jiang, Xingxing; Wu, Chao; Li, Longhua; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","Ba(MoO2F)2(XO3)2 (X = Se and Te): First Cases of Noncentrosymmetric Fluorinated Molybdenum Oxide Selenite/Tellurite Through Unary Substitution for Enlarging Band Gaps and Second Harmonic Generation","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15444","","","0.71073","MoKα","","0.0358","0.0297","","","0.0643","0.0856","","","","","","1.196","","","","has coordinates","258539","2020-10-22","21:15:44",""
"4518153","10.569","0.005","11.536","0.006","18.59","0.009","86.397","0.012","74.393","0.011","87.892","0.012","2178.2","1.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H94 F12 Fe N6 O16 P2 -","- C86 H94 F12 Fe N6 O16 P2 -","- C86 H94 F12 Fe N6 O16 P2 -","1","0.5","","Cheng, Shao-Chi; Wang, Chi-Hsien; Lin, Yi-Chia; Tsuchido, Yoshitaka; Suzaki, Yuji; Sei, Yoshihisa; Kuo, Ting-Shen; Horie, Masaki","Photoinduced Mechanical Motions of Pseudorotaxane Crystals Composed of Azobenzene and Ferrocenyl Groups on an Axle and a Crown Ether Ring","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15171","","","0.71073","MoKα","","0.1669","0.1031","","","0.2599","0.2901","","","","","","1.062","","","","has coordinates","258540","2020-10-22","21:16:05",""
"4518154","10.244","0.002","11.33","0.002","21.749","0.005","78.997","0.005","78.512","0.005","87.801","0.005","2428.2","0.9","200","2","200","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H56.89 F6 Fe N3 O9 P -","- C49 H56.89 F6 Fe N3 O9 P -","- C98 H113.78 F12 Fe2 N6 O18 P2 -","2","1","","Cheng, Shao-Chi; Wang, Chi-Hsien; Lin, Yi-Chia; Tsuchido, Yoshitaka; Suzaki, Yuji; Sei, Yoshihisa; Kuo, Ting-Shen; Horie, Masaki","Photoinduced Mechanical Motions of Pseudorotaxane Crystals Composed of Azobenzene and Ferrocenyl Groups on an Axle and a Crown Ether Ring","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15171","","","0.71073","MoKα","","0.2041","0.153","","","0.3159","0.3392","","","","","","1.162","","","","has coordinates,has disorder","258541","2020-10-22","21:16:47",""
"4518155","10.1238","0.001","11.4618","0.0012","21.607","0.002","78.972","0.003","78.823","0.003","87.279","0.003","2414.1","0.4","200","2","199.99","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H59 F6 Fe N3 O8.5 P -","- C49 H59 F6 Fe N3 O8.5 P -","- C98 H118 F12 Fe2 N6 O17 P2 -","2","1","","Cheng, Shao-Chi; Wang, Chi-Hsien; Lin, Yi-Chia; Tsuchido, Yoshitaka; Suzaki, Yuji; Sei, Yoshihisa; Kuo, Ting-Shen; Horie, Masaki","Photoinduced Mechanical Motions of Pseudorotaxane Crystals Composed of Azobenzene and Ferrocenyl Groups on an Axle and a Crown Ether Ring","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15171","","","0.71073","MoKα","","0.1437","0.0733","","","0.1094","0.1305","","","","","","1.059","","","","has coordinates,has disorder","258542","2020-10-22","21:17:22",""
"4518156","12.199","0.002","10.166","0.0016","50.127","0.008","90","","96.831","0.004","90","","6172.4","1.7","200","2","199.91","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H60 F6 Fe N3 O8 P -","- C50 H60 F6 Fe N3 O8 P -","- C200 H240 F24 Fe4 N12 O32 P4 -","4","1","","Cheng, Shao-Chi; Wang, Chi-Hsien; Lin, Yi-Chia; Tsuchido, Yoshitaka; Suzaki, Yuji; Sei, Yoshihisa; Kuo, Ting-Shen; Horie, Masaki","Photoinduced Mechanical Motions of Pseudorotaxane Crystals Composed of Azobenzene and Ferrocenyl Groups on an Axle and a Crown Ether Ring","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15171","","","0.71073","MoKα","","0.1621","0.1111","","","0.2582","0.2854","","","","","","1.09","","","","has coordinates,has disorder","258543","2020-10-22","21:18:00",""
"4518157","10.1921","0.0015","11.4742","0.0014","21.692","0.003","86.353","0.011","85.801","0.011","86.926","0.009","2521.8","0.6","200","2","199.94","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H54 F6 Fe N O8 P -","- C48 H52.24 F6 Fe N3 O8 P -","- C96 H104.48 F12 Fe2 N6 O16 P2 -","2","1","","Cheng, Shao-Chi; Wang, Chi-Hsien; Lin, Yi-Chia; Tsuchido, Yoshitaka; Suzaki, Yuji; Sei, Yoshihisa; Kuo, Ting-Shen; Horie, Masaki","Photoinduced Mechanical Motions of Pseudorotaxane Crystals Composed of Azobenzene and Ferrocenyl Groups on an Axle and a Crown Ether Ring","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15171","","","0.71073","MoKα","","0.2873","0.1214","","","0.2682","0.3537","","","","","","0.964","","","","has coordinates,has disorder","258544","2020-10-22","21:18:33",""
"4518158","12.1045","0.0003","11.838","0.0004","39.6515","0.0016","90","","92.478","0.003","90","","5676.5","0.3","90","2","90","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H53 Br4 F6 Fe N3 O9 P -","- C52 H53 Br4 F6 Fe N3 O9 P -","- C208 H212 Br16 F24 Fe4 N12 O36 P4 -","4","1","","Cheng, Shao-Chi; Wang, Chi-Hsien; Lin, Yi-Chia; Tsuchido, Yoshitaka; Suzaki, Yuji; Sei, Yoshihisa; Kuo, Ting-Shen; Horie, Masaki","Photoinduced Mechanical Motions of Pseudorotaxane Crystals Composed of Azobenzene and Ferrocenyl Groups on an Axle and a Crown Ether Ring","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15171","","x-ray","1.54184","CuKα","","0.127","0.0926","","","0.2691","0.2965","","","","","","1.06","","","","has coordinates","258545","2020-10-22","21:19:02",""
"4518159","10.3843","0.0007","11.6552","0.0008","20.2841","0.0014","98.403","0.002","103.009","0.002","93.923","0.002","2353.2","0.3","200","2","199.99","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H106 F12 Fe N6 O18 P2 -","- C88 H106 F12 Fe N6 O18 P2 -","- C88 H106 F12 Fe N6 O18 P2 -","1","0.5","","Cheng, Shao-Chi; Wang, Chi-Hsien; Lin, Yi-Chia; Tsuchido, Yoshitaka; Suzaki, Yuji; Sei, Yoshihisa; Kuo, Ting-Shen; Horie, Masaki","Photoinduced Mechanical Motions of Pseudorotaxane Crystals Composed of Azobenzene and Ferrocenyl Groups on an Axle and a Crown Ether Ring","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15171","","","0.71073","MoKα","","0.1555","0.07","","","0.1575","0.2009","","","","","","1.001","","","","has coordinates","258546","2020-10-22","21:19:42",""
"4518160","21.034","0.006","10.206","0.003","23.539","0.006","90","","103.477","0.01","90","","4914","2","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H58 As F6 Fe N3 O8 -","- C49 H58 As F6 Fe N3 O8 -","- C196 H232 As4 F24 Fe4 N12 O32 -","4","1","","Cheng, Shao-Chi; Wang, Chi-Hsien; Lin, Yi-Chia; Tsuchido, Yoshitaka; Suzaki, Yuji; Sei, Yoshihisa; Kuo, Ting-Shen; Horie, Masaki","Photoinduced Mechanical Motions of Pseudorotaxane Crystals Composed of Azobenzene and Ferrocenyl Groups on an Axle and a Crown Ether Ring","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15171","","","0.71073","MoKα","","0.1215","0.0623","","","0.15","0.1867","","","","","","1.083","","","","has coordinates,has disorder","258547","2020-10-22","21:20:08",""
"4518161","16.8405","0.0002","16.9294","0.0002","41.4502","0.0004","90","","94.715","0.001","90","","11777.4","0.2","90","","90","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C106 H128 Br8 F12 Fe2 N6 O18 P2 -","- C106 H128 Br8 F12 Fe2 N6 O18 P2 -","- C424 H512 Br32 F48 Fe8 N24 O72 P8 -","4","1","","Cheng, Shao-Chi; Wang, Chi-Hsien; Lin, Yi-Chia; Tsuchido, Yoshitaka; Suzaki, Yuji; Sei, Yoshihisa; Kuo, Ting-Shen; Horie, Masaki","Photoinduced Mechanical Motions of Pseudorotaxane Crystals Composed of Azobenzene and Ferrocenyl Groups on an Axle and a Crown Ether Ring","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15171","","x-ray","1.54184","CuKα","","0.0608","0.0591","","","0.1644","0.1661","","","","","","1.038","","","","has coordinates,has disorder","258548","2020-10-22","21:20:35",""
"4518162","10.1929","0.0004","11.6834","0.0005","21.6043","0.0008","87.155","0.003","85.445","0.003","87.005","0.003","2558.5","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H66 F6 Fe N3 O10 P -","- C52 H66 F6 Fe N3 O10 P -","- C104 H132 F12 Fe2 N6 O20 P2 -","2","1","","Cheng, Shao-Chi; Wang, Chi-Hsien; Lin, Yi-Chia; Tsuchido, Yoshitaka; Suzaki, Yuji; Sei, Yoshihisa; Kuo, Ting-Shen; Horie, Masaki","Photoinduced Mechanical Motions of Pseudorotaxane Crystals Composed of Azobenzene and Ferrocenyl Groups on an Axle and a Crown Ether Ring","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15171","","","0.71073","MoKα","","0.1159","0.0713","","","0.1773","0.2063","","","","","","1.034","","","","has coordinates","258549","2020-10-22","21:21:06",""
"4518163","9.618","","14.2124","0.0001","14.4586","0.0001","90","","90","","90","","1976.42","0.019","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 B Fe N -","- C22 H30 B Fe N -","- C88 H120 B4 Fe4 N4 -","4","1","","Dong, Wu-Wei; Li, Yi-Nan; Chang, Xin; Shen, Chong; Wang, Chun-Jiang","Chiral Ugi-Type Amines: Practical Synthesis, Ligand Development, and Asymmetric Catalysis","ACS Catalysis","2020","","","12954","12959","10.1021/acscatal.0c04077","","x-ray","1.54178","CuKα","","0.0173","0.0171","","","0.0456","0.0457","","","","","","1.034","","","","has coordinates","258550","2020-10-22","21:30:36",""
"4518164","13.9717","0.0003","22.3087","0.0006","15.064","0.0003","90","","90.591","0.002","90","","4695.06","0.19","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O5 -","- C27 H27 N O5 -","- C216 H216 N8 O40 -","8","2","","Sugawara, Masumi; Ohnishi, Rikako; Ezawa, Tetsuya; Akakabe, Mai; Sawamura, Miki; Hojo, Daiki; Hashizume, Daisuke; Sohtome, Yoshihiro; Sodeoka, Mikiko","Regiodivergent Oxidative Cross-Coupling of Catechols with Persistent tert-Carbon Radicals","ACS Catalysis","2020","","","12770","12782","10.1021/acscatal.0c03986","","","0.71073","MoKα","","0.0938","0.0541","","","0.1053","0.1196","","","","","","1.005","","","","has coordinates","258551","2020-10-22","21:31:04",""
"4518165","13.7004","0.0002","20.3764","0.0003","29.3278","0.0005","90","","90","","90","","8187.3","0.2","90","","90","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C96 H82 B2 F8 O6 P4 Pd2 -","- C96 H82 B2 F8 O6 P4 Pd2 -","- C384 H328 B8 F32 O24 P16 Pd8 -","4","1","","Sugawara, Masumi; Ohnishi, Rikako; Ezawa, Tetsuya; Akakabe, Mai; Sawamura, Miki; Hojo, Daiki; Hashizume, Daisuke; Sohtome, Yoshihiro; Sodeoka, Mikiko","Regiodivergent Oxidative Cross-Coupling of Catechols with Persistent tert-Carbon Radicals","ACS Catalysis","2020","","","12770","12782","10.1021/acscatal.0c03986","","","0.71073","MoKα","","0.0762","0.0492","","","0.091","0.0994","","","","","","1.038","","","","has coordinates,has disorder","258552","2020-10-22","21:31:37",""
"4518166","5.6564","0.0003","10.7717","0.0006","11.2333","0.0006","67.751","0.002","80.44","0.002","83.967","0.002","624.01","0.06","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H15 N3 O6 S -","- C9 H15 N3 O6 S -","- C18 H30 N6 O12 S2 -","2","1","","Yahia, Hamdi Ben; Sabri, Souhir; Essehli, Rachid; Kasak, Peter; Drogosz-Stachowicz, Joanna; Janecka, Anna; El Bali, Brahim","Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives","ACS Omega","2020","5","43","27756","27765","10.1021/acsomega.0c01769","","x-ray","0.71073","MoKα","","0.0626","0.0354","","","0.0985","0.1116","","","","1.2","1.2","1.12","","","","has coordinates","258699","2020-11-04","01:16:40",""
"4518167","6.2307","0.0003","9.0432","0.0004","11.7429","0.0005","97.642","0.002","93.975","0.002","103.694","0.002","633.64","0.05","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C9 H9 N Na O7 P S -","- C9 H9 N Na O7 P S -","- C18 H18 N2 Na2 O14 P2 S2 -","2","1","","Yahia, Hamdi Ben; Sabri, Souhir; Essehli, Rachid; Kasak, Peter; Drogosz-Stachowicz, Joanna; Janecka, Anna; El Bali, Brahim","Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives","ACS Omega","2020","5","43","27756","27765","10.1021/acsomega.0c01769","","x-ray","0.71073","MoKα","","0.0462","0.0427","","","0.1057","0.1077","","","","1.2","1.2","1.19","","","","has coordinates","258699","2020-11-04","01:16:41",""
"4518168","6.2294","0.0008","9.8153","0.0016","17.133","0.003","90","","92.88","0.005","90","","1046.2","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 N2 O11 S2 -","- C18 H16 N2 O11 S2 -","- C36 H32 N4 O22 S4 -","2","1","","Yahia, Hamdi Ben; Sabri, Souhir; Essehli, Rachid; Kasak, Peter; Drogosz-Stachowicz, Joanna; Janecka, Anna; El Bali, Brahim","Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives","ACS Omega","2020","5","43","27756","27765","10.1021/acsomega.0c01769","","x-ray","0.71069","MoKα","","0.0425","0.0388","","","0.0749","0.0766","","","","1.08","1.08","1.09","","","","has coordinates","258699","2020-11-04","01:16:41",""
"4518169","14.784","0.0009","6.8291","0.0004","16.075","0.0008","90","","106.46","0.002","90","","1556.44","0.15","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O6 S -","- C14 H16 N2 O6 S -","- C56 H64 N8 O24 S4 -","4","1","","Yahia, Hamdi Ben; Sabri, Souhir; Essehli, Rachid; Kasak, Peter; Drogosz-Stachowicz, Joanna; Janecka, Anna; El Bali, Brahim","Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives","ACS Omega","2020","5","43","27756","27765","10.1021/acsomega.0c01769","","x-ray","0.71073","MoKα","","0.0586","0.0415","","","0.1213","0.1316","","","","1.2","1.2","1.14","","","","has coordinates","258699","2020-11-04","01:16:41",""
"4518170","27.412","0.002","8.353","0.0006","20.7456","0.0014","90","","98.4684","0.0011","90","","4698.4","0.6","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","mequitazine-succinate_hydrate_incorrect","","","- C24 H32 N2 O6 S -","- C24 H30.8 N2 O5.4 S -","- C192 H246.4 N16 O43.2 S8 -","8","1","","Okura, Ryuhei; Uchiyama, Hiromasa; Kadota, Kazunori; Tozuka, Yuichi","New Salt and Cocrystal of Mequitazine: Impact of Coformer Flexibility and Hydrogen Bond Donors on Polymorphism","Crystal Growth & Design","2020","","","","","10.1021/acs.cgd.0c00896","powder diffraction","","1.54186","CuKα","","","","","","","","","","0.5232","","","","","","","has coordinates","258558","2020-10-22","22:22:09",""
"4518171","8.146","0.0004","9.3045","0.0006","16.1985","0.0012","80.954","0.002","77.629","0.003","64.4671","0.0019","1079.19","0.12","298","","298","","","","","","","","","5","P -1","-P 1","2","mequitazine-fumarate_anhydrate_formII_powder","","","- C24 H26 N2 O4 S -","- C24 H26 N2 O4 S -","- C48 H52 N4 O8 S2 -","2","1","","Okura, Ryuhei; Uchiyama, Hiromasa; Kadota, Kazunori; Tozuka, Yuichi","New Salt and Cocrystal of Mequitazine: Impact of Coformer Flexibility and Hydrogen Bond Donors on Polymorphism","Crystal Growth & Design","2020","","","","","10.1021/acs.cgd.0c00896","powder diffraction","","1.54186","CuKα","","","","","","","","","","1.1949","","","","","","","has coordinates","258559","2020-10-22","22:22:35",""
"4518172","11.637","0.009","12.282","0.004","17.835","0.003","76.419","0.003","87.152","0.004","76.88","0.005","2413","2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","Charles54b (Nansi)","","","- C26 H22 F6 N O2 P -","- C26 H22 F6 N O2 P -","- C104 H88 F24 N4 O8 P4 -","4","2","","Gjineci, Nansi; Aharonovich, Sinai; Dekel, Dario R.; Diesendruck, Charles E.","Increasing the Alkaline Stability of <i>N</i>,<i>N</i>-Diaryl Carbazolium Salts Using Substituent Electronic Effects.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c14132","","","0.71073","MoKα","","0.2117","0.0857","","","0.1629","0.2108","","","","","","0.926","","","","has coordinates,has disorder","258580","2020-10-23","21:14:29",""
"4518173","8.9254","0.0014","17.366","0.003","15.62","0.002","90","","103.842","0.004","90","","2350.8","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Charles56b (Nansi)","","","- C24 H16 Br2 F6 N P -","- C24 H16 Br2 F6 N P -","- C96 H64 Br8 F24 N4 P4 -","4","1","","Gjineci, Nansi; Aharonovich, Sinai; Dekel, Dario R.; Diesendruck, Charles E.","Increasing the Alkaline Stability of <i>N</i>,<i>N</i>-Diaryl Carbazolium Salts Using Substituent Electronic Effects.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c14132","","","0.71073","MoKα","","0.1136","0.0553","","","0.12","0.1396","","","","","","1.025","","","","has coordinates","258581","2020-10-23","21:14:55",""
"4518174","12.351","0.0004","17.281","0.0011","19.134","0.0013","90","","90","","90","","4083.9","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Charles32 (Nansi)","","","- C24 H18 Br N O3 -","- C24 H18 Br N O3 -","- C192 H144 Br8 N8 O24 -","8","1","","Gjineci, Nansi; Aharonovich, Sinai; Dekel, Dario R.; Diesendruck, Charles E.","Increasing the Alkaline Stability of <i>N</i>,<i>N</i>-Diaryl Carbazolium Salts Using Substituent Electronic Effects.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c14132","","","0.71073","MoKα","","0.1118","0.054","","","0.1175","0.1366","","","","","","1.051","","","","has coordinates,has disorder","258582","2020-10-23","21:15:19",""
"4518175","7.9554","0.0009","13.3409","0.0014","13.583","0.0014","108.591","0.004","95.505","0.005","94.138","0.004","1352","0.3","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H42 Cl Ir N O6 P -","- C24 H42 Cl Ir N O6 P -","- C48 H84 Cl2 Ir2 N2 O12 P2 -","2","1","","Dodge, Henry M.; Kita, Matthew R.; Chen, Chun-Hsing; Miller, Alexander J. M.","Identifying and Evading Olefin Isomerization Catalyst Deactivation Pathways Resulting from Ion-Tunable Hemilability","ACS Catalysis","2020","","","13019","13030","10.1021/acscatal.0c03784","","","1.5418","CuKα","","0.0205","0.0197","","0.0495","0.0491","0.0495","","","","","","1.0692","","","","has coordinates,has disorder","258583","2020-10-23","21:24:41",""
"4518176","12.8158","0.0002","12.8715","0.0002","17.2525","0.0003","80.155","0.001","89.504","0.001","66.413","0.001","2564.14","0.08","150","","150","","","","","","","","","9","P 1","P 1","1","","","","- C97 H72 B2 F48 Ir Li N O5 P -","- C97 H72 B2 F48 Ir Li N O5 P -","- C97 H72 B2 F48 Ir Li N O5 P -","1","1","","Dodge, Henry M.; Kita, Matthew R.; Chen, Chun-Hsing; Miller, Alexander J. M.","Identifying and Evading Olefin Isomerization Catalyst Deactivation Pathways Resulting from Ion-Tunable Hemilability","ACS Catalysis","2020","","","13019","13030","10.1021/acscatal.0c03784","","","1.5418","CuKα","","0.0869","0.0865","","0.2306","0.2298","0.2306","","","","","","1.1545","","","","has coordinates,has disorder","258584","2020-10-23","21:25:04",""
"4518177","9.6402","0.0005","21.1318","0.0012","14.7796","0.0008","90","","96.737","0.005","90","","2990","0.3","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 N6 -","- C40 H28 N6 -","- C160 H112 N24 -","4","1","","Lee, Jiun-Haw; Chen, Chia-Hsun; Lin, Bo-Yen; Lan, Yi-Hsin; Huang, Yi-Mei; Chen, Nai-Jing; Huang, Jau-Jiun; Volyniuk, Dmytro; Keruckiene, Rasa; Grazulevicius, Juozas Vidas; Wu, Yuh-Renn; Leung, Man-Kit; Chiu, Tien-Lung","Bistriazoles with a Biphenyl Core Derivative as an Electron-Favorable Bipolar Host of Efficient Blue Phosphorescent Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c13705","","","1.54178","CuKα","","0.0997","0.055","","","0.1159","0.1407","","","","","","0.984","","","","has coordinates","258594","2020-10-24","21:14:20",""
"4518178","8.7262","0.0002","8.7262","0.0002","20.1821","0.0005","90","","90","","90","","1536.8","0.06","150","","150","","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C6 H5.25 Ce N7 O5.62 -","- C6 H5.25 Ce N7 O5.625 -","- C24 H21 Ce4 N28 O22.5 -","4","0.5","","Mohan, Midhun; Essalhi, Mohamed; Durette, David; Rana, Love Karan; Ayevide, Follivi Kloutse; Maris, Thierry; Duong, Adam","A Rational Design of Microporous Nitrogen-Rich Lanthanide Metal‒Organic Frameworks for CO2/CH4 Separation","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15395","","x-ray","1.34139","GaKα","","0.0238","0.0238","","","0.0625","0.0625","","","","","","1.247","","","","has coordinates,has disorder","258599","2020-10-26","22:14:22",""
"4518179","8.7522","0.0002","8.7522","0.0002","20.2393","0.0005","90","","90","","90","","1550.35","0.06","150","","150","","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C6 H4.75 La N7 O5.38 -","- C6 H4.7496 La N7 O5.3748 -","- C24 H18.9984 La4 N28 O21.4992 -","4","0.5","","Mohan, Midhun; Essalhi, Mohamed; Durette, David; Rana, Love Karan; Ayevide, Follivi Kloutse; Maris, Thierry; Duong, Adam","A Rational Design of Microporous Nitrogen-Rich Lanthanide Metal‒Organic Frameworks for CO2/CH4 Separation","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15395","","x-ray","1.34139","GaKα","","0.0294","0.0289","","","0.0736","0.0739","","","","","","1.205","","","","has coordinates,has disorder","258600","2020-10-26","22:15:03",""
"4518180","8.6806","0.0003","8.6806","0.0003","20.1518","0.0006","90","","90","","90","","1518.49","0.09","150","","150","","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C6 H4.6 N7 O5.3 Pr -","- C6 H4.6 N7 O5.3 Pr -","- C24 H18.4 N28 O21.2 Pr4 -","4","0.5","","Mohan, Midhun; Essalhi, Mohamed; Durette, David; Rana, Love Karan; Ayevide, Follivi Kloutse; Maris, Thierry; Duong, Adam","A Rational Design of Microporous Nitrogen-Rich Lanthanide Metal‒Organic Frameworks for CO2/CH4 Separation","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15395","","x-ray","1.34139","GaKα","","0.0171","0.0171","","","0.0495","0.0495","","","","","","1.215","","","","has coordinates,has disorder","258601","2020-10-26","22:15:30",""
"4518181","5.24","0.0001","6.2805","0.0001","23.9605","0.0006","90","","90","","90","","788.54","0.03","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 Cl O -","- C7 H13 Cl O -","- C28 H52 Cl4 O4 -","4","1","","Venturi, Silvia; Brenna, Elisabetta; Colombo, Danilo; Fraaije, Marco W.; Gatti, Francesco G.; Macchi, Piero; Monti, Daniela; Trajkovic, Milos; Zamboni, Emilio","Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers","ACS Catalysis","2020","","","13050","13057","10.1021/acscatal.0c04097","","x-ray","0.71073","MoKα","","0.0507","0.0393","","","0.0698","0.0744","","","","","","1.064","","","","has coordinates","258602","2020-10-26","22:25:49",""
"4518182","6.2973","0.0002","5.2861","0.0002","12.6948","0.0005","90","","93.567","0.003","90","","421.77","0.03","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H15 Cl O -","- C8 H15 Cl O -","- C16 H30 Cl2 O2 -","2","1","","Venturi, Silvia; Brenna, Elisabetta; Colombo, Danilo; Fraaije, Marco W.; Gatti, Francesco G.; Macchi, Piero; Monti, Daniela; Trajkovic, Milos; Zamboni, Emilio","Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers","ACS Catalysis","2020","","","13050","13057","10.1021/acscatal.0c04097","","x-ray","0.71073","MoKα","","0.0432","0.035","","","0.0675","0.0716","","","","","","1.044","","","","has coordinates","258602","2020-10-26","22:25:58",""
"4518183","7.2887","0.0001","9.0165","0.0002","15.2516","0.0003","90","","90","","90","","1002.31","0.03","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cl O2 -","- C9 H15 Cl O2 -","- C36 H60 Cl4 O8 -","4","1","","Venturi, Silvia; Brenna, Elisabetta; Colombo, Danilo; Fraaije, Marco W.; Gatti, Francesco G.; Macchi, Piero; Monti, Daniela; Trajkovic, Milos; Zamboni, Emilio","Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers","ACS Catalysis","2020","","","13050","13057","10.1021/acscatal.0c04097","","x-ray","1.54184","CuKα","","0.0314","0.0295","","","0.0755","0.0767","","","","","","1.053","","","","has coordinates","258602","2020-10-26","22:26:00",""
"4518184","6.1266","0.0001","8.4858","0.0002","18.3913","0.0004","90","","90","","90","","956.15","0.03","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O2 -","- C10 H16 O2 -","- C40 H64 O8 -","4","1","","Venturi, Silvia; Brenna, Elisabetta; Colombo, Danilo; Fraaije, Marco W.; Gatti, Francesco G.; Macchi, Piero; Monti, Daniela; Trajkovic, Milos; Zamboni, Emilio","Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers","ACS Catalysis","2020","","","13050","13057","10.1021/acscatal.0c04097","","x-ray","1.54184","CuKα","","0.0516","0.045","","","0.1119","0.115","","","","","","1.13","","","","has coordinates","258602","2020-10-26","22:26:01",""
"4518185","13.3478","0.0009","14.062","0.0009","17.8249","0.0012","90.177","0.002","93.026","0.002","114.592","0.002","3036.8","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H56 Cl2 Cu2 F8 O2 P4 -","- C68 H56 Cl2 Cu2 F8 O2 P4 -","- C136 H112 Cl4 Cu4 F16 O4 P8 -","2","1","","Kang, Taeho; Erbay, Tuğçe G.; Xu, Kane L.; Gallego, Gary M.; Burtea, Alexander; Nair, Sajiv K.; Patman, Ryan L.; Zhou, Ru; Sutton, Scott C.; McAlpine, Indrawan J.; Liu, Peng; Engle, Keary M.","Multifaceted Substrate‒Ligand Interactions Promote the Copper-Catalyzed Hydroboration of Benzylidenecyclobutanes and Related Compounds","ACS Catalysis","2020","","","13075","13083","10.1021/acscatal.0c03622","","","0.71073","MoKα","","0.0951","0.056","","","0.109","0.1236","","","","","","1.018","","","","has coordinates","258612","2020-10-27","22:23:25",""
"4518186","16.4338","0.0008","16.5229","0.0008","17.2231","0.0008","69.906","0.001","77.081","0.001","64.824","0.001","3958.2","0.3","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C80 H64 Cl2 Cu2 F24 O3 P4 -","- C80 H64 Cl2 Cu2 F24 O3 P4 -","- C160 H128 Cl4 Cu4 F48 O6 P8 -","2","1","","Kang, Taeho; Erbay, Tuğçe G.; Xu, Kane L.; Gallego, Gary M.; Burtea, Alexander; Nair, Sajiv K.; Patman, Ryan L.; Zhou, Ru; Sutton, Scott C.; McAlpine, Indrawan J.; Liu, Peng; Engle, Keary M.","Multifaceted Substrate‒Ligand Interactions Promote the Copper-Catalyzed Hydroboration of Benzylidenecyclobutanes and Related Compounds","ACS Catalysis","2020","","","13075","13083","10.1021/acscatal.0c03622","","x-ray","0.71073","MoKα","","0.0751","0.0497","","","0.1228","0.1425","","","","","","1.028","","","","has coordinates,has disorder","258613","2020-10-27","22:23:53",""
"4518187","10.8827","0.0004","25.7626","0.0009","13.4803","0.0005","90","","98.617","0.001","90","","3736.8","0.2","180","2","179.99","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H28 N4 -","- C46 H28 N4 -","- C184 H112 N16 -","4","1","","Lei, Puyi; Zhang, Songhe; Zhang, Niu; Yin, Xiaodong; Wang, Nan; Chen, Pangkuan","Triptycene-Based Luminescent Materials in Homoconjugated Charge-Transfer Systems: Synthesis, Electronic Structures, AIE Activity, and Highly Tunable Emissions","ACS Omega","2020","","","","","10.1021/acsomega.0c03565","","","0.71073","MoKα","","0.0926","0.0496","","","0.1171","0.1327","","","","","","1.038","","","","has coordinates","258623","2020-10-29","22:34:21",""
"4518188","11.3781","0.0004","11.4044","0.0004","28.9791","0.0011","90","","96.823","0.001","90","","3733.7","0.2","180","2","179.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H28 N4 S2 -","- C46 H28 N4 S2 -","- C184 H112 N16 S8 -","4","1","","Lei, Puyi; Zhang, Songhe; Zhang, Niu; Yin, Xiaodong; Wang, Nan; Chen, Pangkuan","Triptycene-Based Luminescent Materials in Homoconjugated Charge-Transfer Systems: Synthesis, Electronic Structures, AIE Activity, and Highly Tunable Emissions","ACS Omega","2020","","","","","10.1021/acsomega.0c03565","","","0.71073","MoKα","","0.0955","0.0504","","","0.1233","0.1403","","","","","","1.043","","","","has coordinates","258624","2020-10-29","22:34:56",""
"4518189","6.5484","0.0006","7.2693","0.0006","21.261","0.002","85.041","0.003","84.946","0.003","89.943","0.003","1004.34","0.16","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C56 H24 F16 -","- C56 H24 F16 -","- C56 H24 F16 -","1","1","","Huang, Yinjuan; Gong, Qiuyu; Ge, Jing; Tang, Pengpeng; Yu, Fei; Xiao, Lian; Wang, Zongrui; Sun, Handong; Yu, Jing; Li, Dong-Sheng; Xiong, Qihua; Zhang, Qichun","Green Grinding-Coassembly Engineering toward Intrinsically Luminescent Tetracene in Cocrystals.","ACS nano","2020","","","","","10.1021/acsnano.0c07416","","","0.71073","MoKα","","0.152","0.0704","","","0.1345","0.1754","","","","","","1.025","","","","has coordinates","258626","2020-10-29","22:50:56",""
"4518190","24.13","0.002","14.8945","0.0012","19.8961","0.0016","90","","127.18","0.009","90","","5697.3","1.1","339.98","0.1","339.98","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Co2 O18.5 -","- C23 H23 Co2 O18.5 -","- C184 H184 Co16 O148 -","8","1","","Chen, Junling; Zhang, Heng; Li, Bo; Yang, Jingzhi; Li, Xiongwen; Zhang, Tiexin; He, Cheng; Duan, Chunying; Wang, Liya","Bioinspired Carboxylate‒Water Coordination Polymers with Hydrogen-Bond Clusters and Local Coordination Flexibility for Electrochemical Water Splitting","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.0c01552","","","0.71073","MoKα","","0.1092","0.091","","","0.2644","0.2789","","","","","","1.061","","","","has coordinates","258645","2020-10-30","22:10:59",""
"4518191","24.1793","0.0005","14.7682","0.0003","19.8874","0.0004","90","","127.327","0.002","90","","5647","0.2","106","5","106","5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H9 Co2 D17 O20 -","- C23 H9 Co2 D17 O20 -","- C184 H72 Co16 D136 O160 -","8","1","","Chen, Junling; Zhang, Heng; Li, Bo; Yang, Jingzhi; Li, Xiongwen; Zhang, Tiexin; He, Cheng; Duan, Chunying; Wang, Liya","Bioinspired Carboxylate‒Water Coordination Polymers with Hydrogen-Bond Clusters and Local Coordination Flexibility for Electrochemical Water Splitting","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.0c01552","","","0.71073","MoKα","","0.0462","0.0434","","","0.1112","0.1127","","","","","","1.124","","","","has coordinates","258646","2020-10-30","22:11:44",""
"4518192","24.2658","0.0005","14.8227","0.0002","19.8121","0.0003","90","","127.678","0.002","90","","5640","0.2","293.15","","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 Ni2 O20 -","- C23 H26 Ni2 O20 -","- C184 H208 Ni16 O160 -","8","1","","Chen, Junling; Zhang, Heng; Li, Bo; Yang, Jingzhi; Li, Xiongwen; Zhang, Tiexin; He, Cheng; Duan, Chunying; Wang, Liya","Bioinspired Carboxylate‒Water Coordination Polymers with Hydrogen-Bond Clusters and Local Coordination Flexibility for Electrochemical Water Splitting","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.0c01552","","","0.71073","MoKα","","0.0424","0.0361","","","0.0909","0.0936","","","","","","1.117","","","","has coordinates","258647","2020-10-30","22:12:15",""
"4518193","24.264","0.0007","14.8592","0.0003","19.8821","0.0006","90","","127.529","0.003","90","","5684.8","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 Co2 O20 -","- C23 H26 Co2 O20 -","- C184 H208 Co16 O160 -","8","1","","Chen, Junling; Zhang, Heng; Li, Bo; Yang, Jingzhi; Li, Xiongwen; Zhang, Tiexin; He, Cheng; Duan, Chunying; Wang, Liya","Bioinspired Carboxylate‒Water Coordination Polymers with Hydrogen-Bond Clusters and Local Coordination Flexibility for Electrochemical Water Splitting","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.0c01552","","","0.71073","MoKα","","0.0357","0.0335","","","0.0883","0.0895","","","","","","1.123","","","","has coordinates","258648","2020-10-30","22:12:42",""
"4518194","9.3985","0.0011","12.781","0.0015","25.714","0.003","90","","90","","90","","3088.8","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Br2 N2 Pt S -","- C14 H14 Br2 N2 Pt S -","- C112 H112 Br16 N16 Pt8 S8 -","8","1","","Bavi, Marzieh; Nabavizadeh, S. Masoud; Hosseini, Fatemeh Niroomand; Niknam, Fatemeh; Hamidizadeh, Peyman; Hoseini, S. Jafar; Raoof, Fatemeh; Abu-Omar, Mahdi M.","Ligand-Mediated C‒Br Oxidative Addition to Cycloplatinated(II) Complexes and Benzyl-Me C‒C Bond Reductive Elimination from a Cycloplatinated(IV) Complex","ACS Omega","2020","","","","","10.1021/acsomega.0c03573","","","0.71073","MoKα","","0.074","0.0421","","","0.0777","0.0876","","","","","","0.987","","","","has coordinates","258649","2020-10-30","22:37:31",""
"4518195","11.3768","0.0002","13.3425","0.0002","24.5874","0.0005","90","","90","","90","","3732.24","0.11","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Br N2 O3 -","- C20 H19 Br N2 O3 -","- C160 H152 Br8 N16 O24 -","8","2","","Harada, Shingo; Kobayashi, Mayu; Kono, Masato; Nemoto, Tetsuhiro","Site-Selective and Chemoselective C‒H Functionalization for the Synthesis of Spiroaminals via a Silver-Catalyzed Nitrene Transfer Reaction","ACS Catalysis","2020","10","22","13296","13304","10.1021/acscatal.0c04057","","","1.54187","CuKα","","0.0673","0.0462","","","0.0758","0.0817","","","","","","1.023","","","","has coordinates","259501","2020-12-04","02:11:54",""
"4518196","16.3426","0.0004","32.7061","0.0008","10.0263","0.0002","90","","90","","90","","5359.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C34 H29 N O2 S -","- C34 H29 N O2 S -","- C272 H232 N8 O16 S8 -","8","2","","Aratikatla, Eswar K.; Kalamuddin, Md; Malhotra, Pawan; Mohmmed, Asif; Bhattacharya, Asish K.","Enantioselective Synthesis of γ-Phenyl-γ-amino Vinyl Phosphonates and Sulfones and Their Application to the Synthesis of Novel Highly Potent Antimalarials.","ACS omega","2020","5","45","29025","29037","10.1021/acsomega.0c03470","","","1.54178","CuKα","","0.032","0.0308","","","0.0811","0.0825","","","","","","1.034","","","","has coordinates","259512","2020-12-04","02:15:07",""
"4518197","19.3699","0.0003","19.3699","0.0003","17.2897","0.0002","90","","90","","120","","5617.89","0.14","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C18 H10 N5 O9 Zn2 -","- C18 H9 N5 O9 Zn2 -","- C108 H54 N30 O54 Zn12 -","6","0.25","","Yin, Jia-Cheng; Chang, Ze; Li, Na; He, Jie; Fu, Zi-Xuan; Bu, Xian-He","Efficient Regulation of Energy Transfer in a Multicomponent Dye-Loaded MOF for White-Light Emission Tuning","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c12867","","x-ray","1.54184","CuKα","","0.0834","0.0742","","","0.2142","0.2274","","","","","","1.094","","","","has coordinates,has disorder","258686","2020-11-03","22:14:04",""
"4518198","14.0181","0.0011","8.46","0.0007","16.4369","0.0013","90","","102.753","0.001","90","","1901.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 I N2 Rh -","- C20 H24 I N2 Rh -","- C80 H96 I4 N8 Rh4 -","4","1","","Sánchez-Page, Beatriz; Munarriz, Julen; Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Blasco, Javier; Subias, Gloria; Passarelli, Vincenzo; Álvarez, Patricia","β-(Z) Selectivity Control by Cyclometalated Rhodium(III)‒Triazolylidene Homogeneous and Heterogeneous Terminal Alkyne Hydrosilylation Catalysts","ACS Catalysis","2020","10","22","13334","13351","10.1021/acscatal.0c03295","","","0.71073","MoKα","","0.0397","0.0251","","","0.0483","0.0522","","","","","","1.018","","","","has coordinates","259502","2020-12-04","02:12:03",""
"4518199","17.652","0.0018","12.0217","0.0012","14.0368","0.0014","90","","113.194","0.001","90","","2738","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cl3 I N3 Rh -","- C26 H28 Cl3 I N3 Rh -","- C104 H112 Cl12 I4 N12 Rh4 -","4","1","","Sánchez-Page, Beatriz; Munarriz, Julen; Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Blasco, Javier; Subias, Gloria; Passarelli, Vincenzo; Álvarez, Patricia","β-(Z) Selectivity Control by Cyclometalated Rhodium(III)‒Triazolylidene Homogeneous and Heterogeneous Terminal Alkyne Hydrosilylation Catalysts","ACS Catalysis","2020","10","22","13334","13351","10.1021/acscatal.0c03295","","","0.71073","MoKα","","0.0887","0.0554","","","0.101","0.111","","","","","","1.065","","","","has coordinates","259502","2020-12-04","02:12:03",""
"4518200","12.9396","0.0011","12.9396","0.0011","35.996","0.004","90","","90","","90","","6026.9","1","125","2","125","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Ti(NtBu)ind2py2","","","- C30 H31 N5 Ti -","- C30 H31 N5 Ti -","- C240 H248 N40 Ti8 -","8","1","","See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A.","Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis","ACS Catalysis","2020","10","22","13504","13517","10.1021/acscatal.0c03939","","","0.71073","MoKα","","0.0266","0.0237","","","0.0599","0.0617","","","","","","1.071","","","","has coordinates","259500","2020-12-04","02:11:41",""
"4518201","9.4737","0.0004","36.2928","0.0016","19.9562","0.001","90","","95.112","0.002","90","","6834.2","0.5","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ti(NtBu)carb2py2","","","- C82.52 H77.04 N10 Ti2 -","- C82.522 H77.044 N10 Ti2 -","- C330.088 H308.176 N40 Ti8 -","4","1","","See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A.","Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis","ACS Catalysis","2020","10","22","13504","13517","10.1021/acscatal.0c03939","","","0.71073","MoKα","","0.0698","0.0503","","","0.1068","0.1152","","","","","","1.065","","","","has coordinates,has disorder","259500","2020-12-04","02:11:41",""
"4518202","24.117","0.003","15.0952","0.0014","20.943","0.002","90","","114.01","0.004","90","","6964.6","1.3","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Ti(NtBu)(O^P)3Ti(NtBu)Cl","","","- C80 H78 Cl N2 O3 P3 Ti2 -","- C80 H78 Cl N2 O3 P3 Ti2 -","- C320 H312 Cl4 N8 O12 P12 Ti8 -","4","1","","See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A.","Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis","ACS Catalysis","2020","10","22","13504","13517","10.1021/acscatal.0c03939","","","0.71073","MoKα","","0.0911","0.0747","","","0.1468","0.1525","","","","","","1.227","","","","has coordinates,has disorder","259500","2020-12-04","02:11:41",""
"4518203","9.8644","0.0009","12.5071","0.0011","12.5128","0.001","116.587","0.002","93.947","0.003","112.994","0.003","1213.89","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Ti(NTol)Cl2bipy*","","","- C50 H62 Cl4 N6 Ti2 -","- C50 H62 Cl4 N6 Ti2 -","- C50 H62 Cl4 N6 Ti2 -","1","0.5","","See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A.","Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis","ACS Catalysis","2020","10","22","13504","13517","10.1021/acscatal.0c03939","","","0.71073","MoKα","","0.0793","0.0506","","","0.1208","0.139","","","","","","1.058","","","","has coordinates,has disorder","259500","2020-12-04","02:11:41",""
"4518204","8.8241","0.0002","15.4498","0.0003","20.9753","0.0005","90","","93.185","0.002","90","","2855.16","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N6 O9.26 -","- C28 H32 N6 O9.256 -","- C112 H128 N24 O37.024 -","4","1","","Dąbrowa, Kajetan; Niedbała, Patryk; Pawlak, Marcin; Lindner, Marcin; Ignacak, Wiktor; Jurczak, Janusz","Tuning Anion-Binding Properties of 22-Membered Unclosed Cryptands by Structural Modification of the Lariat Arm.","ACS omega","2020","5","45","29601","29608","10.1021/acsomega.0c04660","","","0.71073","MoKα","","0.0502","0.0321","","","0.0795","0.0827","","","","","","0.976","","","","has coordinates,has disorder","259511","2020-12-04","02:14:59",""
"4518205","15.6616","0.0005","16.0618","0.0004","20.4891","0.0006","102.644","0.002","104.632","0.002","98.413","0.002","4753.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H134 Cl4 N14 O16 -","- C89 H134 Cl4 N14 O16 -","- C178 H268 Cl8 N28 O32 -","2","1","","Dąbrowa, Kajetan; Niedbała, Patryk; Pawlak, Marcin; Lindner, Marcin; Ignacak, Wiktor; Jurczak, Janusz","Tuning Anion-Binding Properties of 22-Membered Unclosed Cryptands by Structural Modification of the Lariat Arm.","ACS omega","2020","5","45","29601","29608","10.1021/acsomega.0c04660","","","0.71073","MoKα","","0.0549","0.0335","","","0.0854","0.0895","","","","","","1.026","","","","has coordinates","259511","2020-12-04","02:14:59",""
"4518206","8.5352","0.0003","20.3585","0.0007","15.2562","0.0005","90","","90.899","0.003","90","","2650.65","0.16","104","2","104","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H65 N12 O17 -","- C50 H65 N12 O17 -","- C100 H130 N24 O34 -","2","0.5","","Dąbrowa, Kajetan; Niedbała, Patryk; Pawlak, Marcin; Lindner, Marcin; Ignacak, Wiktor; Jurczak, Janusz","Tuning Anion-Binding Properties of 22-Membered Unclosed Cryptands by Structural Modification of the Lariat Arm.","ACS omega","2020","5","45","29601","29608","10.1021/acsomega.0c04660","","","0.71073","MoKα","","0.0513","0.0306","","","0.0657","0.068","","","","","","0.903","","","","has coordinates","259511","2020-12-04","02:14:59",""
"4518207","13.5574","0.0003","17.7049","0.0003","29.5129","0.0005","90","","90","","90","","7084.1","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C268 H330 N54 O69.6 -","- C268 H330 N54 O69.6 -","- C268 H330 N54 O69.6 -","1","0.25","","Dąbrowa, Kajetan; Niedbała, Patryk; Pawlak, Marcin; Lindner, Marcin; Ignacak, Wiktor; Jurczak, Janusz","Tuning Anion-Binding Properties of 22-Membered Unclosed Cryptands by Structural Modification of the Lariat Arm.","ACS omega","2020","5","45","29601","29608","10.1021/acsomega.0c04660","","","0.71073","MoKα","","0.0553","0.0404","","","0.1055","0.111","","","","","","0.989","","","","has coordinates,has disorder","259511","2020-12-04","02:14:59",""
"4518208","8.464","0.0006","14.0128","0.001","12.6748","0.0008","90","","99.102","0.002","90","","1484.36","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br4 Hg N2 -","- C10 H10 Br4 Hg N2 -","- C40 H40 Br16 Hg4 N8 -","4","1","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.","ACS omega","2020","5","45","29357","29372","10.1021/acsomega.0c04175","","","0.71073","MoKα","","0.0238","0.0228","","","0.0545","0.055","","","","","","1.063","","","","has coordinates","259510","2020-12-04","02:14:43",""
"4518209","8.991","0.003","19.04","0.008","9.004","0.003","90","","93.322","0.013","90","","1538.8","1","100","2","100","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C24 H18 Hg I4 N4 -","- C24 H18 Hg I4 N4 -","- C48 H36 Hg2 I8 N8 -","2","0.5","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.","ACS omega","2020","5","45","29357","29372","10.1021/acsomega.0c04175","","","0.71073","MoKα","","0.0487","0.0419","","","0.0983","0.1032","","","","","","1.132","","","","has coordinates,has disorder","259510","2020-12-04","02:14:46",""
"4518210","7.8704","0.0004","15.6908","0.0007","13.8093","0.0007","90","","90.282","0.002","90","","1705.33","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Hg I4 N2 -","- C10 H10 Hg I4 N2 -","- C40 H40 Hg4 I16 N8 -","4","1","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.","ACS omega","2020","5","45","29357","29372","10.1021/acsomega.0c04175","","","0.71073","MoKα","","0.039","0.0279","","","0.0584","0.0659","","","","","","1.254","","","","has coordinates","259510","2020-12-04","02:14:46",""
"4518211","7.4413","0.0003","21.6102","0.0012","15.4817","0.0008","90","","94.962","0.002","90","","2480.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl6 Hg2 N4 -","- C20 H18 Cl6 Hg2 N4 -","- C80 H72 Cl24 Hg8 N16 -","4","1","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.","ACS omega","2020","5","45","29357","29372","10.1021/acsomega.0c04175","","","0.71073","MoKα","","0.034","0.0224","","","0.0437","0.0503","","","","","","1.066","","","","has coordinates","259510","2020-12-04","02:14:46",""
"4518212","16.3186","0.0006","10.696","0.0004","14.6085","0.0005","90","","107.856","0.001","90","","2427","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl4 Hg N4 O -","- C24 H20 Cl4 Hg N4 O -","- C96 H80 Cl16 Hg4 N16 O4 -","4","1","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.","ACS omega","2020","5","45","29357","29372","10.1021/acsomega.0c04175","","","0.71073","MoKα","","0.0241","0.0223","","","0.054","0.0547","","","","","","1.059","","","","has coordinates","259510","2020-12-04","02:14:46",""
"4518213","7.816","0.0007","9.0601","0.0008","18.787","0.0017","86.438","0.003","86.462","0.003","66.489","0.003","1216.59","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Br4 Hg N4 -","- C24 H18 Br4 Hg N4 -","- C48 H36 Br8 Hg2 N8 -","2","1","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.","ACS omega","2020","5","45","29357","29372","10.1021/acsomega.0c04175","","","0.71073","MoKα","","0.0398","0.0389","","","0.0986","0.0992","","","","","","1.104","","","","has coordinates","259510","2020-12-04","02:14:46",""
"4518214","11.7514","0.0004","13.3298","0.0005","9.6736","0.0003","90","","95.87","0.004","90","","1507.36","0.09","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H13 Cl2 N S -","- C16 H13 Cl2 N S -","- C64 H52 Cl8 N4 S4 -","4","1","","Su, Yong-Liang; Tram, Linh; Wherritt, Daniel; Arman, Hadi; Griffith, Wendell P.; Doyle, Michael P.","α-Amino Radical-Mediated Diverse Difunctionalization of Alkenes: Construction of C‒C, C‒N, and C‒S Bonds","ACS Catalysis","2020","10","22","13682","13687","10.1021/acscatal.0c04243","","x-ray","1.54184","CuKα","","0.044","0.0433","","","0.1113","0.1118","","","","","","1.092","","","","has coordinates","259503","2020-12-04","02:12:11",""
"4518215","7.9208","0.0001","5.9641","0.0001","13.9611","0.0002","90","","95.677","0.002","90","","656.294","0.017","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H11 Cl2 N S -","- C14 H11 Cl2 N S -","- C28 H22 Cl4 N2 S2 -","2","1","","Su, Yong-Liang; Tram, Linh; Wherritt, Daniel; Arman, Hadi; Griffith, Wendell P.; Doyle, Michael P.","α-Amino Radical-Mediated Diverse Difunctionalization of Alkenes: Construction of C‒C, C‒N, and C‒S Bonds","ACS Catalysis","2020","10","22","13682","13687","10.1021/acscatal.0c04243","","x-ray","1.54184","CuKα","","0.028","0.0263","","","0.0635","0.0642","","","","","","1.054","","","","has coordinates","259503","2020-12-04","02:12:11",""
"4518216","12.1646","0.0017","21.938","0.002","16.962","0.002","90","","102.835","0.004","90","","4413.5","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C81 H90 Br5 N13 Ni4 O3 -","- C81 H90 Br5 N13 Ni4 O3 -","- C162 H180 Br10 N26 Ni8 O6 -","2","1","","Long, Cheng-Yu; Ni, Shao-Fei; Su, Min-Hui; Wang, Xue-Qiang; Tan, Weihong","Highly Chemoselective Access to 2,2′-Diaminobiaryls via Ni-Catalyzed Protecting-Group-Free Coupling of 2-Haloanilines","ACS Catalysis","2020","10","22","13641","13649","10.1021/acscatal.0c03428","","","0.71073","MoKα","","0.0756","0.0511","","","0.1247","0.1352","","","","","","0.992","","","","has coordinates","259504","2020-12-04","02:12:20",""
"4518217","9.9064","0.0002","10.7737","0.0002","13.562","0.0002","90","","103.821","0.002","90","","1405.54","0.05","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H46 Cl2 P4 Pd2 -","- C18 H46 Cl2 P4 Pd2 -","- C36 H92 Cl4 P8 Pd4 -","2","0.5","","Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul","Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands.","ACS omega","2020","5","46","29706","29713","10.1021/acsomega.0c03317","","","0.71073","MoKα","","0.0137","0.0136","","","0.0349","0.035","","","","","","1.183","","","","has coordinates","259505","2020-12-04","02:13:24",""
"4518218","6.9572","0.0001","11.9501","0.0002","13.6334","0.0002","90","","98.412","0.002","90","","1121.28","0.03","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 N12 P2 Pd2 -","- C12 H30 N12 P2 Pd2 -","- C24 H60 N24 P4 Pd4 -","2","0.5","","Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul","Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands.","ACS omega","2020","5","46","29706","29713","10.1021/acsomega.0c03317","","","0.71073","MoKα","","0.0223","0.0217","","","0.0593","0.0596","","","","","","1.044","","","","has coordinates","259505","2020-12-04","02:13:33",""
"4518219","7.7922","0.0001","11.736","0.0002","12.1887","0.0002","90","","105.424","0.002","90","","1074.5","0.03","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl4 P2 Pd2 -","- C16 H22 Cl4 P2 Pd2 -","- C32 H44 Cl8 P4 Pd4 -","2","0.5","","Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul","Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands.","ACS omega","2020","5","46","29706","29713","10.1021/acsomega.0c03317","","","0.71073","MoKα","","0.0143","0.0141","","","0.0361","0.0363","","","","","","1.178","","","","has coordinates","259505","2020-12-04","02:13:35",""
"4518220","9.5404","0.0002","11.4408","0.0002","21.1667","0.0003","90","","90","","90","","2310.34","0.07","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 Cl O P3 Pd -","- C20 H32 Cl O P3 Pd -","- C80 H128 Cl4 O4 P12 Pd4 -","4","1","","Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul","Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands.","ACS omega","2020","5","46","29706","29713","10.1021/acsomega.0c03317","","","0.71073","MoKα","","0.015","0.0148","","","0.0381","0.0381","","","","","","1.088","","","","has coordinates","259505","2020-12-04","02:13:35",""
"4518221","23.5646","0.0002","13.3084","0.0001","38.4626","0.0003","90","","90","","90","","12062.2","0.17","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H60 N24 P4 Pd4 -","- C46 H60 N24 P4 Pd4 -","- C368 H480 N192 P32 Pd32 -","8","2","","Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul","Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands.","ACS omega","2020","5","46","29706","29713","10.1021/acsomega.0c03317","","","0.71073","MoKα","","0.0365","0.0362","","","0.0971","0.0973","","","","","","1.17","","","","has coordinates,has disorder","259505","2020-12-04","02:13:35",""
"4518222","9.986","0.0002","11.4915","0.0002","17.4719","0.0003","78.881","0.002","86.644","0.002","71.922","0.002","1870.22","0.06","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H62 Cl2 P4 Pd2 -","- C30 H62 Cl2 P4 Pd2 -","- C60 H124 Cl4 P8 Pd4 -","2","1","","Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul","Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands.","ACS omega","2020","5","46","29706","29713","10.1021/acsomega.0c03317","","","0.71073","MoKα","","0.0168","0.0157","","","0.043","0.0434","","","","","","1.033","","","","has coordinates","259505","2020-12-04","02:13:35",""
"4518223","8.2958","0.0013","11.681","0.003","12.753","0.003","88.841","0.006","89.295","0.006","71.562","0.006","1172.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(2E)-N-(2,4-dimethylphenyl)-2-({2-[(2-oxo-2H-1-benzopyran-3-yl)methoxy]phenyl} methylidene)hydrazine-1-carbothioamide","","- C26 H23 N3 O3 S -","- C26 H23 N3 O3 S -","- C52 H46 N6 O6 S2 -","2","1","","Basri, Rabia; Khalid, Muhammad; Shafiq, Zahid; Tahir, Muhammad Suleman; Khan, Muhammad Usman; Tahir, Muhammad Nawaz; Naseer, Muhammad Moazzam; Braga, Ataualpa Albert Carmo","Exploration of Chromone-Based Thiosemicarbazone Derivatives: SC-XRD/DFT, Spectral (IR, UV-Vis) Characterization, and Quantum Chemical Analysis.","ACS omega","2020","5","46","30176","30188","10.1021/acsomega.0c04653","","","0.71073","MoKα","","0.0765","0.0506","","","0.1349","0.1519","","","","","","1.018","","","","has coordinates","259506","2020-12-04","02:13:46",""
"4518224","17.8975","0.0013","11.9162","0.0008","41.526","0.003","90","","90","","90","","8856.3","1.1","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(2E)-N-cyclohexyl-2-({2-[(2-oxo-2H-1-benzopyran-3-yl)methoxy]phenyl} methylidene)hydrazine-1-carbothioamide","","- C24 H25 N3 O3 S -","- C23.115 H23.3775 N3 O3 S -","- C369.84 H374.04 N48 O48 S16 -","16","2","","Basri, Rabia; Khalid, Muhammad; Shafiq, Zahid; Tahir, Muhammad Suleman; Khan, Muhammad Usman; Tahir, Muhammad Nawaz; Naseer, Muhammad Moazzam; Braga, Ataualpa Albert Carmo","Exploration of Chromone-Based Thiosemicarbazone Derivatives: SC-XRD/DFT, Spectral (IR, UV-Vis) Characterization, and Quantum Chemical Analysis.","ACS omega","2020","5","46","30176","30188","10.1021/acsomega.0c04653","","","0.71073","MoKα","","0.1318","0.064","","","0.1427","0.1747","","","","","","1.023","","","","has coordinates,has disorder","259506","2020-12-04","02:13:46",""
"4518225","17.9642","0.0007","18.9843","0.0007","17.5158","0.0007","90","","90","","90","","5973.5","0.4","120","2","120","2","","","","","","","","6","P c c 2","P 2 -2c","27","","","","- C51 H35 N5 O9 S8 Zn2 -","- C51 H35 N5 O9 S8 Zn2 -","- C204 H140 N20 O36 S32 Zn8 -","4","1","","Weng, Yi-Gang; Yin, Wen-Yu; Jiang, Miao; Hou, Jin-Le; Shao, Jie; Zhu, Qin-Yu; Dai, Jie","Tetrathiafulvalene-Based Metal-Organic Framework as a High-Performance Anode for Lithium-Ion Batteries.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c14510","","","0.71073","MoKα","","0.0947","0.0637","","","0.1667","0.192","","","","","","1.099","","","","has coordinates","259090","2020-11-11","22:14:17",""
"4518226","10.951","0.002","10.931","0.002","21.238","0.004","90","","99.78","0.03","90","","2505.4","0.8","223","2","223","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C16 H9 N O4 S2 Zn -","- C16 H9 N O4 S2 Zn -","- C64 H36 N4 O16 S8 Zn4 -","4","1","","Weng, Yi-Gang; Yin, Wen-Yu; Jiang, Miao; Hou, Jin-Le; Shao, Jie; Zhu, Qin-Yu; Dai, Jie","Tetrathiafulvalene-Based Metal-Organic Framework as a High-Performance Anode for Lithium-Ion Batteries.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c14510","","","0.71073","MoKα","","0.0586","0.0442","","","0.1047","0.1119","","","","","","1.118","","","","has coordinates,has disorder","259091","2020-11-11","22:14:47",""
"4518227","7.0293","0.0003","29.2917","0.0007","12.7862","0.0004","90","","99.495","0.003","90","","2596.61","0.15","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 Ca2 O36 -","- C46 H54 Ca2 O36 -","- C92 H108 Ca4 O72 -","2","0.5","","Rodríguez, Israel; Flores Bello, Jeaninna; Marie Serrano Valcárcel, Joyce; López-Mejías, Vilmalí","Design of Potential Pharmaceutical-Based Metal Complexes Derived from Cromolyn a Mast Cell Stabilizer","ACS Omega","2020","5","46","29714","29721","10.1021/acsomega.0c03320","","x-ray","1.54184","CuKα","","0.0872","0.0791","","","0.1913","0.1969","","","","","","1.098","","","","has coordinates","259508","2020-12-04","02:14:09",""
"4518228","31.90641","0.00018","6.99799","0.00005","22.92769","0.00014","90","","95.6148","0.0006","90","","5094.75","0.06","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H53.62 O35 Zn2 -","- C46 H53.62 O35 Zn2 -","- C184 H214.48 O140 Zn8 -","4","0.5","","Rodríguez, Israel; Flores Bello, Jeaninna; Marie Serrano Valcárcel, Joyce; López-Mejías, Vilmalí","Design of Potential Pharmaceutical-Based Metal Complexes Derived from Cromolyn a Mast Cell Stabilizer","ACS Omega","2020","5","46","29714","29721","10.1021/acsomega.0c03320","","","1.54184","CuKα","","0.0327","0.0304","","","0.0782","0.0797","","","","","","1.046","","","","has coordinates,has disorder","259508","2020-12-04","02:14:10",""
"4518229","7.3421","0.0001","10.3741","0.0001","16.8517","0.0002","100.899","0.001","98.916","0.001","93.556","0.001","1239.64","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","Cromolyn-Mg metal complex","","- C23 H26 Mg O17 -","- C23 H26 Mg O17 -","- C46 H52 Mg2 O34 -","2","1","","Rodríguez, Israel; Flores Bello, Jeaninna; Marie Serrano Valcárcel, Joyce; López-Mejías, Vilmalí","Design of Potential Pharmaceutical-Based Metal Complexes Derived from Cromolyn a Mast Cell Stabilizer","ACS Omega","2020","5","46","29714","29721","10.1021/acsomega.0c03320","","x-ray","1.54184","CuKα","","0.0482","0.0455","","","0.1224","0.1246","","","","","","1.039","","","","has coordinates","259508","2020-12-04","02:14:10",""
"4518230","18.3661","0.0016","16.0719","0.0014","27.117","0.003","90","","108.602","0.01","90","","7586.2","1.3","298","2","298","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C72 H60 Cu4 I4 P4 -","- C72 H60 Cu4 I4 P4 -","- C288 H240 Cu16 I16 P16 -","4","0.5","","Castillo, Juan-Carlos; Bravo, Nestor-Fabian; Tamayo, Lenka-Victoria; Mestizo, Paula-Daniela; Hurtado, John; Macías, Mario; Portilla, Jaime","Water-Compatible Synthesis of 1,2,3-Triazoles under Ultrasonic Conditions by a Cu(I) Complex-Mediated Click Reaction.","ACS omega","2020","5","46","30148","30159","10.1021/acsomega.0c04592","","","0.71073","MoKα","","0.0524","0.0387","","","0.0935","0.1047","","","","","","1.028","","","","has coordinates,has disorder","259507","2020-12-04","02:13:57",""
"4518231","10.7747","0.0008","15.4475","0.001","19.6421","0.0012","109.743","0.006","99.759","0.005","103.575","0.006","2878.4","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H31 Cu I N4 P -","- C29 H31 Cu I N4 P -","- C116 H124 Cu4 I4 N16 P4 -","4","2","","Castillo, Juan-Carlos; Bravo, Nestor-Fabian; Tamayo, Lenka-Victoria; Mestizo, Paula-Daniela; Hurtado, John; Macías, Mario; Portilla, Jaime","Water-Compatible Synthesis of 1,2,3-Triazoles under Ultrasonic Conditions by a Cu(I) Complex-Mediated Click Reaction.","ACS omega","2020","5","46","30148","30159","10.1021/acsomega.0c04592","","","0.71073","MoKα","","0.0786","0.0521","","","0.127","0.1555","","","","","","1.103","","","","has coordinates","259507","2020-12-04","02:13:57",""
"4518232","14.7868","0.0007","14.861","0.0006","18.1967","0.0009","75.909","0.004","71.454","0.004","87.961","0.004","3673.1","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C83 H78 Ag2 Cl2 N7 O6 -","- C83 H78 Ag2 Cl2 N7 O6 -","- C166 H156 Ag4 Cl4 N14 O12 -","2","1","","Ghosh, Sanjib; Hossain, Munshi Sahid; Chatterjee, Sheelbhadra; Rahaman, Sk. Atiur; Bandyopadhyay, Subhajit","Light-Gated Modulation of Electronic Mobility of a Dihydropyrene-Based Photochromic Coordination Polymer","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c17513","","x-ray","0.71073","MoKα","","0.0804","0.0684","","","0.1769","0.1846","","","","","","1.067","","","","has coordinates","259129","2020-11-13","22:13:53",""
"4518233","6.3632","0.0005","13.9288","0.0009","17.529","0.0016","98.437","0.006","91.106","0.007","90.596","0.006","1536.4","0.2","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C40 H39 N2 -","- C40 H38 N2 -","- C80 H76 N4 -","2","1","","Ghosh, Sanjib; Hossain, Munshi Sahid; Chatterjee, Sheelbhadra; Rahaman, Sk. Atiur; Bandyopadhyay, Subhajit","Light-Gated Modulation of Electronic Mobility of a Dihydropyrene-Based Photochromic Coordination Polymer","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c17513","","x-ray","1.54184","CuKα","","0.1478","0.1327","","","0.3157","0.3348","","","","","","1.287","","","","has coordinates","259130","2020-11-13","22:14:20",""
"4518234","13.872","0.006","18.09","0.008","20.222","0.008","88.162","0.012","85.843","0.001","88.603","0.008","5057","4","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C50 H104 F33 N16 O18 P3 Pd2 Pt4 Rh2 -","- C50 H104 F33 N16 O18 P3 Pd2 Pt4 Rh2 -","- C100 H208 F66 N32 O36 P6 Pd4 Pt8 Rh4 -","2","1","","Uemura, Kazuhiro; Ito, Daiki; Pirillo, Jenny; Hijikata, Yuh; Saeki, Akinori","Modulation of Band Gaps toward Varying Conductivities in Heterometallic One-Dimensional Chains by Ligand Alteration and Third Metal Insertion","ACS Omega","2020","5","47","30502","30518","10.1021/acsomega.0c04317","","","0.7107","MoKα","","0.1735","0.0925","","","0.1452","0.1771","","","","","","1.094","","","","has coordinates","259509","2020-12-04","02:14:24",""
"4518235","30.731","0.013","11.615","0.004","22.369","0.01","90","","128.996","0.005","90","","6205","4","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C36 H84 F18 N8 O8 P3 Pd Pt2 -","- C36 H84 F18 N8 O8 P3 Pd Pt2 -","- C144 H336 F72 N32 O32 P12 Pd4 Pt8 -","4","0.5","","Uemura, Kazuhiro; Ito, Daiki; Pirillo, Jenny; Hijikata, Yuh; Saeki, Akinori","Modulation of Band Gaps toward Varying Conductivities in Heterometallic One-Dimensional Chains by Ligand Alteration and Third Metal Insertion","ACS Omega","2020","5","47","30502","30518","10.1021/acsomega.0c04317","","","0.7107","MoKα","","0.1027","0.0699","","","0.1533","0.1729","","","","","","1.133","","","","has coordinates","259509","2020-12-04","02:14:24",""
"4518236","13.336","0.003","14.243","0.003","14.118","0.003","90","","97.164","0.003","90","","2660.7","1","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C28 H64 F12 N8 O12 P2 Pd Pt2 Rh2 -","- C28 H64 F12 N8 O12 P2 Pd Pt2 Rh2 -","- C56 H128 F24 N16 O24 P4 Pd2 Pt4 Rh4 -","2","0.5","","Uemura, Kazuhiro; Ito, Daiki; Pirillo, Jenny; Hijikata, Yuh; Saeki, Akinori","Modulation of Band Gaps toward Varying Conductivities in Heterometallic One-Dimensional Chains by Ligand Alteration and Third Metal Insertion","ACS Omega","2020","5","47","30502","30518","10.1021/acsomega.0c04317","","","0.7107","MoKα","","0.083","0.0544","","","0.1035","0.1191","","","","","","1.086","","","","has coordinates","259509","2020-12-04","02:14:24",""
"4518237","11.331","0.002","22.019","0.005","12.253","0.003","90","","95.145","0.003","90","","3044.8","1.2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H88 F12 N8 O10 P2 Pd Pt2 -","- C36 H88 F12 N8 O10 P2 Pd Pt2 -","- C72 H176 F24 N16 O20 P4 Pd2 Pt4 -","2","0.5","","Uemura, Kazuhiro; Ito, Daiki; Pirillo, Jenny; Hijikata, Yuh; Saeki, Akinori","Modulation of Band Gaps toward Varying Conductivities in Heterometallic One-Dimensional Chains by Ligand Alteration and Third Metal Insertion","ACS Omega","2020","5","47","30502","30518","10.1021/acsomega.0c04317","","","0.7107","MoKα","","0.044","0.0364","","","0.0955","0.1036","","","","","","1.123","","","","has coordinates","259509","2020-12-04","02:14:24",""
"4518238","11.2943","0.0004","19.0183","0.0006","18.5286","0.0008","90","","101.816","0.003","90","","3895.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H32 Cl6 -","- C50 H32 Cl6 -","- C200 H128 Cl24 -","4","1","","Haags, Anja; Reichmann, Alexander; Fan, Qitang; Egger, Larissa; Kirschner, Hans; Naumann, Tim; Werner, Simon; Vollgraff, Tobias; Sundermeyer, Jörg; Eschmann, Lukas; Yang, Xiaosheng; Brandstetter, Dominik; Bocquet, François C.; Koller, Georg; Gottwald, Alexander; Richter, Mathias; Ramsey, Michael G.; Rohlfing, Michael; Puschnig, Peter; Gottfried, J. Michael; Soubatch, Serguei; Tautz, F. Stefan","Kekulene: On-Surface Synthesis, Orbital Structure, and Aromatic Stabilization","ACS Nano","2020","","","","","10.1021/acsnano.0c06798","","","1.54178","CuKα","","0.0674","0.0535","","","0.1462","0.158","","","","","","1.019","","","","has coordinates","259145","2020-11-14","22:47:47",""
"4518239","11.6913","0.0003","21.5989","0.0005","26.9587","0.001","90","","93.36","0.003","90","","6795.9","0.3","298","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H56 Mo5 N8 Ni2 O34 P2 -","- C46 H56 Mo5 N8 Ni2 O34 P2 -","- C184 H224 Mo20 N32 Ni8 O136 P8 -","4","1","","Zheng, Yang; Xu, Xinxin","Surface Atom Regulation on Polyoxometalate Electrocatalyst for Simultaneous Low-Voltage H<sub>2</sub> Production and Phenol Degradation.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c14431","","x-ray","0.71073","MoKα","","0.0562","0.0408","","","0.0752","0.0813","","","","","","1.084","","","","has coordinates","259169","2020-11-18","22:14:23",""
"4518240","7.7262","0.001","17.898","0.002","6.8819","0.0007","90","","90","","90","","951.65","0.19","293","","293","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C3 H8 Br3 Cd N S -","- C3 H10 Br3 Cd N S -","- C12 H40 Br12 Cd4 N4 S4 -","4","0.5","","He, Lei; Liu, Yuting; Shi, Pingping; Cai, Hongling; Fu, Dawei; Ye, Qiong","Energy Harvesting and Pd(II) Sorption Based on Organic-Inorganic Hybrid Perovskites.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16180","","","0.71073","MoKα","","0.0626","0.0548","","","0.1362","0.139","","","","","","1.015","","","","has coordinates","259170","2020-11-18","22:14:53",""
"4518241","7.7434","0.0004","17.9097","0.0014","6.8556","0.0003","90","","90","","90","","950.75","0.1","213","","213","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C3 H8 Br3 Cd N S -","- C3 H8 Br3 Cd N S -","- C12 H32 Br12 Cd4 N4 S4 -","4","0.5","","He, Lei; Liu, Yuting; Shi, Pingping; Cai, Hongling; Fu, Dawei; Ye, Qiong","Energy Harvesting and Pd(II) Sorption Based on Organic-Inorganic Hybrid Perovskites.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16180","","","0.71073","MoKα","","0.1006","0.0946","","","0.2662","0.276","","","","","","1.05","","","","has coordinates","259171","2020-11-18","22:15:16",""
"4518242","16.6287","0.001","9.5046","0.0005","14.4444","0.0008","90","","109.835","0.008","90","","2147.5","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 F N O5 S -","- C25 H20 F N O5 S -","- C100 H80 F4 N4 O20 S4 -","4","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","0.1369","0.0689","","","0.099","0.115","","","","","","1.037","","","","has coordinates,has disorder","259188","2020-11-19","22:26:27",""
"4518243","8.0552","0.0005","11.7776","0.0005","12.3272","0.0006","105.882","0.007","95.33","0.007","93.032","0.007","1116.24","0.11","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 F N O5 S -","- C26 H22 F N O5 S -","- C52 H44 F2 N2 O10 S2 -","2","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0615","","","","0.1388","","","","","","1.02","","","","has coordinates","259189","2020-11-19","22:26:53",""
"4518244","20.9621","0.0004","13.2147","0.0002","17.096","0.0003","90","","90","","90","","4735.73","0.14","173","","173","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C26 H22 F3 N O4 S -","- C26 H22 F3 N O4 S -","- C208 H176 F24 N8 O32 S8 -","8","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0401","","","","0.1151","","","","","","1.033","","","","has coordinates","259190","2020-11-19","22:27:15",""
"4518245","11.9745","0.0006","8.5948","0.0005","25.5692","0.0012","90","","103.368","0.007","90","","2560.2","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H28 F2 N O6.5 S -","- C27.5 H28 F2 N O6.5 S -","- C110 H112 F8 N4 O26 S4 -","4","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0645","","","","0.1371","","","","","","1.054","","","","has coordinates","259191","2020-11-19","22:27:37",""
"4518246","20.8044","0.0007","9.0158","0.0003","10.0248","0.0003","90","","90","","90","","1880.33","0.11","173","","173","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H20 F N O4 S -","- C20 H20 F N O4 S -","- C80 H80 F4 N4 O16 S4 -","4","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0371","","","","0.0749","","","","","","0.92","","","","has coordinates","259192","2020-11-19","22:28:01",""
"4518247","18.2175","0.0007","7.7392","0.0003","16.7579","0.0008","90","","102.923","0.007","90","","2302.83","0.18","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 F2 N O4 S -","- C26 H25 F2 N O4 S -","- C104 H100 F8 N4 O16 S4 -","4","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","0.1248","0.0721","","","0.137","0.1525","","","","","","1.051","","","","has coordinates,has disorder","259193","2020-11-19","22:28:30",""
"4518248","8.91","0.0003","10.057","0.0003","20.0309","0.0006","90","","102.026","0.008","90","","1755.53","0.11","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O5 S -","- C19 H17 N O5 S -","- C76 H68 N4 O20 S4 -","4","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0432","","","","0.1027","","","","","","1.147","","","","has coordinates","259194","2020-11-19","22:28:59",""
"4518249","9.9672","0.0004","13.3088","0.0005","17.6941","0.0007","90","","97.059","0.007","90","","2329.36","0.16","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H23 F2 N O5 S -","- C26 H23 F2 N O5 S -","- C104 H92 F8 N4 O20 S4 -","4","2","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0557","","","","0.1002","","","","","","1.013","","","","has coordinates","259195","2020-11-19","22:29:22",""
"4518250","8.8969","0.0004","10.1294","0.0005","20.1617","0.0008","90","","101.962","0.008","90","","1777.52","0.15","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 F2 N O4 S -","- C19 H17 F2 N O4 S -","- C76 H68 F8 N4 O16 S4 -","4","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0583","","","","0.1203","","","","","","1.029","","","","has coordinates","259196","2020-11-19","22:29:44",""
"4518251","9.7433","0.0003","7.3884","0.0003","15.0351","0.0005","90","","97.095","0.007","90","","1074.05","0.07","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H20 F3 N O4 S -","- C25 H20 F3 N O4 S -","- C50 H40 F6 N2 O8 S2 -","2","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0341","","","","0.0859","","","","","","1.043","","","","has coordinates","259197","2020-11-19","22:30:06",""
"4518252","14.061","0.019","4.73","0.006","19.56","0.03","90","","106.578","0.017","90","","1247","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N O2 S -","- C15 H11 N O2 S -","- C60 H44 N4 O8 S4 -","4","1","","Chen, Yahui; Fang, Yu; Gu, Hao; Qiang, Jian; Li, Haidong; Fan, Jiangli; Cao, Jianfang; Wang, Fang; Lu, Sheng; Chen, Xiaoqiang","Color-Tunable and ESIPT-Inspired Solid Fluorophores Based on Benzothiazole Derivatives: Aggregation-Induced Emission, Strong Solvatochromic Effect, and White Light Emission","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16585","","","0.71073","MoKα","","0.0762","0.0505","","","0.1471","0.1652","","","","","","0.987","","","","has coordinates","259201","2020-11-20","22:27:06",""
"4518253","5.082","0.0016","12.179","0.004","38.766","0.012","90","","105.1","0.005","90","","2316.5","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O S -","- C14 H11 N O S -","- C112 H88 N8 O8 S8 -","8","2","","Chen, Yahui; Fang, Yu; Gu, Hao; Qiang, Jian; Li, Haidong; Fan, Jiangli; Cao, Jianfang; Wang, Fang; Lu, Sheng; Chen, Xiaoqiang","Color-Tunable and ESIPT-Inspired Solid Fluorophores Based on Benzothiazole Derivatives: Aggregation-Induced Emission, Strong Solvatochromic Effect, and White Light Emission","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16585","","","0.71073","MoKα","","0.0642","0.0545","","","0.1472","0.1543","","","","","","1.09","","","","has coordinates","259202","2020-11-20","22:27:33",""
"4518254","13.162","0.004","7.262","0.002","13.191","0.004","90","","109.17","0.004","90","","1190.9","0.6","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 S -","- C14 H12 N2 S -","- C56 H48 N8 S4 -","4","1","","Chen, Yahui; Fang, Yu; Gu, Hao; Qiang, Jian; Li, Haidong; Fan, Jiangli; Cao, Jianfang; Wang, Fang; Lu, Sheng; Chen, Xiaoqiang","Color-Tunable and ESIPT-Inspired Solid Fluorophores Based on Benzothiazole Derivatives: Aggregation-Induced Emission, Strong Solvatochromic Effect, and White Light Emission","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16585","","","0.71073","MoKα","","0.0465","0.0374","","","0.1106","0.1165","","","","","","1.079","","","","has coordinates","259203","2020-11-20","22:27:59",""
"4518255","13.152","0.004","6.687","0.002","15.824","0.005","90","","95.99","0.008","90","","1384.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C27 H19 Cl3 N4 O2 S -","- C27 H19 Cl3 N4 O2 S -","- C54 H38 Cl6 N8 O4 S2 -","2","0.5","","Chen, Yahui; Fang, Yu; Gu, Hao; Qiang, Jian; Li, Haidong; Fan, Jiangli; Cao, Jianfang; Wang, Fang; Lu, Sheng; Chen, Xiaoqiang","Color-Tunable and ESIPT-Inspired Solid Fluorophores Based on Benzothiazole Derivatives: Aggregation-Induced Emission, Strong Solvatochromic Effect, and White Light Emission","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16585","","","0.71073","MoKα","","0.1411","0.0935","","","0.2316","0.263","","","","","","1.091","","","","has coordinates,has disorder","259204","2020-11-20","22:28:35",""
"4518256","7.2703","0.0014","23.841","0.005","7.9637","0.0015","90","","102.852","0.002","90","","1345.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C64 H52 N4 O8 S4 -","4","1","","Chen, Yahui; Fang, Yu; Gu, Hao; Qiang, Jian; Li, Haidong; Fan, Jiangli; Cao, Jianfang; Wang, Fang; Lu, Sheng; Chen, Xiaoqiang","Color-Tunable and ESIPT-Inspired Solid Fluorophores Based on Benzothiazole Derivatives: Aggregation-Induced Emission, Strong Solvatochromic Effect, and White Light Emission","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16585","","","0.71073","MoKα","","0.0452","0.0407","","","0.1126","0.116","","","","","","1.038","","","","has coordinates","259205","2020-11-20","22:28:58",""
"4518257","9.1412","0.0002","9.1412","0.0002","18.5205","0.0006","90","","90","","90","","1547.6","0.07","98","2","98","2","","","","","","","","3","P 41","P 4w","76","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Clanton, Nicholas A.; Hastings, Shayne D.; Foultz, Griffin B.; Contreras, Julie A.; Yee, Samantha S.; Arman, Hadi D.; Risinger, April L.; Frantz, Doug E.","Synthesis and Biological Evaluations of Electrophilic Steroids Inspired by the Taccalonolides","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00534","","x-ray","0.71073","MoKα","","0.0458","0.0446","","","0.0976","0.099","","","","","","1.068","","","","has coordinates","259207","2020-11-20","22:55:46",""
"4518258","9.18072","0.00012","9.24659","0.00012","26.9361","0.0003","90","","90","","90","","2286.62","0.05","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O4 S -","- C26 H33 N O4 S -","- C104 H132 N4 O16 S4 -","4","1","","Clanton, Nicholas A.; Hastings, Shayne D.; Foultz, Griffin B.; Contreras, Julie A.; Yee, Samantha S.; Arman, Hadi D.; Risinger, April L.; Frantz, Doug E.","Synthesis and Biological Evaluations of Electrophilic Steroids Inspired by the Taccalonolides","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00534","","x-ray","1.54184","CuKα","","0.0346","0.0338","","","0.0839","0.0844","","","","","","1.026","","","","has coordinates","259208","2020-11-20","22:56:10",""
"4518259","7.6756","0.0002","20.7238","0.0005","9.8982","0.0003","90","","100.184","0.002","90","","1549.68","0.07","98","2","98","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","2","","Clanton, Nicholas A.; Hastings, Shayne D.; Foultz, Griffin B.; Contreras, Julie A.; Yee, Samantha S.; Arman, Hadi D.; Risinger, April L.; Frantz, Doug E.","Synthesis and Biological Evaluations of Electrophilic Steroids Inspired by the Taccalonolides","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00534","","x-ray","0.71073","MoKα","","0.0464","0.0457","","","0.1024","0.1028","","","","","","1.064","","","","has coordinates,has disorder","259209","2020-11-20","22:56:31",""
"4518260","16.6732","0.0007","7.8057","0.0003","16.9323","0.0007","90","","103.9","0.001","90","","2139.14","0.15","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 F3 N O2 S -","- C24 H24 F3 N O2 S -","- C96 H96 F12 N4 O8 S4 -","4","1","","Apolinar, Omar; Tran, Van T.; Kim, Nana; Schmidt, Michael A.; Derosa, Joseph; Engle, Keary M.","Sulfonamide Directivity Enables Ni-Catalyzed 1,2-Diarylation of Diverse Alkenyl Amines","ACS Catalysis","2020","","","14234","14239","10.1021/acscatal.0c03857","","x-ray","0.71073","MoKα","","0.0494","0.0363","","","0.0842","0.0903","","","","","","1.027","","","","has coordinates","259215","2020-11-21","22:30:37",""
"4518261","10.7674","0.0003","9.7908","0.0002","16.6353","0.0004","90","","100.786","0.001","90","","1722.73","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N4 O3 -","- C20 H18 N4 O3 -","- C80 H72 N16 O12 -","4","1","","Pham, Thanh Chung; Lee, Seongman; Kim, Dongwon; Jung, Ok-Sang; Lee, Myung Won; Lee, Songyi","Visual Simultaneous Detection and Real-Time Monitoring of Cadmium Ions Based on Conjugated Polydiacetylenes","ACS Omega","2020","","","","","10.1021/acsomega.0c04636","","","0.71073","MoKα","","0.0545","0.0446","","","0.1102","0.1198","","","","","","1.022","","","","has coordinates","259235","2020-11-24","22:35:03",""
"4518262","9.6559","0.0003","10.0445","0.0003","14.3756","0.0005","103.534","0.001","93.348","0.001","107.223","0.001","1282.47","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 N2 O2 -","- C34 H26 N2 O2 -","- C68 H52 N4 O4 -","2","1","","Liu, Tanggao; Xu, Fan; Liu, Xiaojuan; Huang, Zhiqing; Long, Lipeng; Xu, Guohai; Xiao, Hong; Chen, Zhengwang","Switching the Regioselectivity Access to Pyrroles and Isoquinolines from Ketoxime Acetates and Ynals","ACS Omega","2020","","","","","10.1021/acsomega.0c05272","","","0.71076","MoKα","","0.0582","0.0441","","","0.1026","0.1138","","","","","","1.03","","","","has coordinates","259236","2020-11-24","22:35:38",""
"4518263","9.2551","0.0004","9.7521","0.0004","9.964","0.0005","79.683","0.001","62.752","0.001","75.392","0.001","771.56","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 F N O2 -","- C19 H14 F N O2 -","- C38 H28 F2 N2 O4 -","2","1","","Liu, Tanggao; Xu, Fan; Liu, Xiaojuan; Huang, Zhiqing; Long, Lipeng; Xu, Guohai; Xiao, Hong; Chen, Zhengwang","Switching the Regioselectivity Access to Pyrroles and Isoquinolines from Ketoxime Acetates and Ynals","ACS Omega","2020","","","","","10.1021/acsomega.0c05272","","","0.71076","MoKα","","0.0599","0.0454","","","0.1121","0.1215","","","","","","1.056","","","","has coordinates","259237","2020-11-24","22:36:15",""
"4518264","8.4462","0.0004","8.9559","0.0004","9.0736","0.0004","91.876","0.004","92.266","0.004","110.478","0.004","641.69","0.05","299.26","0.1","299.26","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O -","- C17 H13 N O -","- C34 H26 N2 O2 -","2","1","","Liu, Tanggao; Xu, Fan; Liu, Xiaojuan; Huang, Zhiqing; Long, Lipeng; Xu, Guohai; Xiao, Hong; Chen, Zhengwang","Switching the Regioselectivity Access to Pyrroles and Isoquinolines from Ketoxime Acetates and Ynals","ACS Omega","2020","","","","","10.1021/acsomega.0c05272","","x-ray","0.71073","MoKα","","0.0897","0.0606","","","0.1617","0.1803","","","","","","1.129","","","","has coordinates","259238","2020-11-24","22:36:42",""
"4518265","48.202","0.003","48.202","","13.401","0.0009","90","","90","","120","","26965","2","296","","296.15","","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C29 H9 Ca N O13.5 Zn -","- C29 H9 Ca N O13.5 Zn -","- C522 H162 Ca18 N18 O243 Zn18 -","18","0.5","","Chen, Hongtai; Fan, Liming; Zhang, Xiutang","Highly Robust 3s-3d {CaZn}-Organic Framework for Excellent Catalytic Performance on Chemical Fixation of CO<sub>2</sub> and Knoevenagel Condensation Reaction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c18267","","","0.71073","MoKα","","0.1268","0.0744","","","0.198","0.2221","","","","","","1.013","","","","has coordinates","259250","2020-11-25","22:14:19",""
"4518266","8.3518","0.0007","9.1518","0.0008","9.0312","0.0009","90","","112.947","0.003","90","","635.67","0.1","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 N O6 -","- C12 H15 N O6 -","- C24 H30 N2 O12 -","2","1","","Niederer, Kyle A.; Gilmartin, Philip H.; Kozlowski, Marisa C.","Oxidative Photocatalytic Homo- and Cross-Coupling of Phenols: Nonenzymatic, Catalytic Method for Coupling Tyrosine","ACS Catalysis","2020","","","14615","14623","10.1021/acscatal.0c04515","","","0.71073","MoKα","","0.0311","0.0295","","","0.0685","0.0692","","","","","","1.103","","","","has coordinates","259259","2020-11-26","22:29:24",""
"4518267","15.6719","0.0016","17.744","0.0015","20.2811","0.0019","75.588","0.003","83.904","0.003","69.178","0.003","5104.6","0.8","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C132 H112 N10 Zn -","- C132 H112 N10 Zn -","- C264 H224 N20 Zn2 -","2","1","","Lu, Chenwei; Wang, Chunlai; Jimenez, Jayvic C.; Rheingold, Arnold L.; Sauvé, Genevieve","Large Non-planar Conjugated Molecule with Strong Intermolecular Interactions Achieved with Homoleptic Zn(II) Complex of Di(5-quinolylethynyl)-tetraphenylazadipyrromethene","ACS Omega","2020","","","","","10.1021/acsomega.0c05169","","","0.71073","MoKα","","0.1047","0.0708","","","0.2054","0.2327","","","","","","1.065","","","","has coordinates","259261","2020-11-26","22:41:03",""
"4518268","34.6467","0.0011","5.3942","0.0002","43.381","0.0013","90","","90","","90","","8107.5","0.5","220","2","220","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C40 H40 S11 -","- C40 H40 S11 -","- C320 H320 S88 -","8","2","","Lin, Chia-Chi; Afraj, Shakil N.; Velusamy, Arulmozhi; Yu, Po-Chun; Cho, Chang-Hui; Chen, Jianhua; Li, Yi-Hsien; Lee, Gene-Hsiang; Tung, Shih-Huang; Liu, Cheng-Liang; Chen, Ming-Chou; Facchetti, Antonio","A Solution Processable Dithioalkyl Dithienothiophene (DSDTT) Based Small Molecule and Its Blends for High Performance Organic Field Effect Transistors.","ACS nano","2020","","","","","10.1021/acsnano.0c07003","","","1.54178","CuKα","","0.0715","0.0602","","","0.1421","0.1483","","","","","","1.071","","","","has coordinates,has disorder","259416","2020-12-01","22:49:56",""
"4518269","10.5142","0.0006","13.9784","0.0008","19.3527","0.0011","90","","100.698","0.002","90","","2794.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","ZXK_L9","","- C38 H28 P2 -","- C38 H28 P2 -","- C152 H112 P8 -","4","1","","Chen, Xiao-Yang; Zhou, Xukai; Wang, Jianchun; Dong, Guangbin","FMPhos: Expanding the Catalytic Capacity of Small-Bite-Angle Bisphosphine Ligands in Regioselective Alkene Hydrofunctionalizations","ACS Catalysis","2020","","","14349","14358","10.1021/acscatal.0c04199","","","0.71073","MoKα","","0.0669","0.0423","","","0.0905","0.0999","","","","","","1.028","","","","has coordinates","259484","2020-12-03","19:41:09",""
"4518270","11.4984","0.0006","18.3575","0.001","12.3063","0.0007","90","","115.676","0.003","90","","2341.1","0.2","130","2","130","2","","","","","","","","9","P 1 21 1","P 2yb","4","6","","","- C43 H45 Cl2 F6 Fe Mo N3 O6 S2 -","- C43 H45 Cl2 F6 Fe Mo N3 O6 S2 -","- C86 H90 Cl4 F12 Fe2 Mo2 N6 O12 S4 -","2","1","","Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R.","Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach","ACS Catalysis","2020","","","14810","14823","10.1021/acscatal.0c03978","","","0.71073","MoKα","","0.0528","0.0352","","","0.0544","0.0576","","","","","","1.041","","","","has coordinates","259485","2020-12-03","22:23:19",""
"4518271","12.9087","0.0007","16.1499","0.0009","20.173","0.0011","101.303","0.002","101.414","0.003","103.356","0.002","3879.9","0.4","135","2","135","2","","","","","","","","7","P -1","-P 1","2","3","","","- C77 H61 B F33 Mo N3 O -","- C77 H61 B F33 Mo N3 O -","- C154 H122 B2 F66 Mo2 N6 O2 -","2","1","","Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R.","Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach","ACS Catalysis","2020","","","14810","14823","10.1021/acscatal.0c03978","","","0.71073","MoKα","","0.0672","0.0431","","","0.1062","0.115","","","","","","1.042","","","","has coordinates,has disorder","259486","2020-12-03","22:23:42",""
"4518272","12.8175","0.0006","15.5311","0.0008","20.3008","0.001","104.613","0.003","96.591","0.003","92.48","0.002","3873.7","0.3","135","2","135","2","","","","","","","","7","P -1","-P 1","2","4","","","- C75 H59 B F33 Mo N3 O -","- C75 H59 B F33 Mo N3 O -","- C150 H118 B2 F66 Mo2 N6 O2 -","2","1","","Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R.","Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach","ACS Catalysis","2020","","","14810","14823","10.1021/acscatal.0c03978","","","0.71073","MoKα","","0.0836","0.0672","","","0.1649","0.1709","","","","","","1.043","","","","has coordinates,has disorder","259487","2020-12-03","22:24:07",""
"4518273","12.8554","0.0004","16.2503","0.0006","19.8326","0.0007","105.02","0.002","96.524","0.002","96.704","0.003","3929.2","0.2","135","2","135","2","","","","","","","","8","P -1","-P 1","2","2","","","- C77 H58 B Cl2 F33 Mo N4 O -","- C77 H58 B Cl2 F33 Mo N4 O -","- C154 H116 B2 Cl4 F66 Mo2 N8 O2 -","2","1","","Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R.","Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach","ACS Catalysis","2020","","","14810","14823","10.1021/acscatal.0c03978","","","0.71073","MoKα","","0.1153","0.0629","","","0.1413","0.157","","","","","","1.042","","","","has coordinates,has disorder","259488","2020-12-03","22:24:31",""
"4518274","12.871","0.0008","15.3569","0.001","39.432","0.002","83.163","0.003","86.32","0.003","89.432","0.004","7722.7","0.8","135","2","135","2","","","","","","","","7","P -1","-P 1","2","1","","","- C76 H58.5 B F33 Mo N3.5 O -","- C76 H58.5 B F33 Mo N3.5 O -","- C304 H234 B4 F132 Mo4 N14 O4 -","4","2","","Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R.","Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach","ACS Catalysis","2020","","","14810","14823","10.1021/acscatal.0c03978","","","0.71073","MoKα","","0.1025","0.0578","","","0.1247","0.1368","","","","","","1.05","","","","has coordinates,has disorder","259489","2020-12-03","22:25:01",""
"4518275","12.4112","0.0006","10.6334","0.0006","23.3549","0.0012","90","","103.504","0.002","90","","2997","0.3","135","2","135","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","5","","","- C26 H21 F18 Mo N O2 -","- C26 H21 F18 Mo N O2 -","- C104 H84 F72 Mo4 N4 O8 -","4","1","","Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R.","Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach","ACS Catalysis","2020","","","14810","14823","10.1021/acscatal.0c03978","","","0.71073","MoKα","","0.0484","0.0326","","","0.0766","0.0828","","","","","","1.024","","","","has coordinates,has disorder","259490","2020-12-03","22:25:26",""
"4518276","6.1585","0.0004","4.6786","0.0002","26.8306","0.0016","90","","96.26","0.002","90","","768.46","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C32 H32 Cl4 N4 O4 -","4","1","","Leong, Bi-Xiang; Teo, Yeow-Chuan; Condamines, Cloé; Yang, Ming-Chung; Su, Ming-Der; So, Cheuk-Wai","A NHC-Silyliumylidene Cation for Catalytic N-Formylation of Amines Using Carbon Dioxide","ACS Catalysis","2020","","","14824","14833","10.1021/acscatal.0c03795","","","0.71073","MoKα","","0.0558","0.0393","","","0.082","0.0904","","","","","","1.04","","","","has coordinates","259491","2020-12-03","22:26:08",""
"4518277","14.8957","0.0007","12.8359","0.0006","8.415","0.0003","90","","111.928","0.0017","90","","1492.55","0.11","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Leong, Bi-Xiang; Teo, Yeow-Chuan; Condamines, Cloé; Yang, Ming-Chung; Su, Ming-Der; So, Cheuk-Wai","A NHC-Silyliumylidene Cation for Catalytic N-Formylation of Amines Using Carbon Dioxide","ACS Catalysis","2020","","","14824","14833","10.1021/acscatal.0c03795","","","0.71073","MoKα","","0.0639","0.0482","","","0.1199","0.1393","","","","","","1.071","","","","has coordinates","259491","2020-12-03","22:26:10",""
"4518278","16.8594","0.0011","16.8594","0.0011","8.3896","0.0007","90","","90","","120","","2065.2","0.3","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C13 H19 N O -","- C13 H19 N O -","- C78 H114 N6 O6 -","6","1","","Leong, Bi-Xiang; Teo, Yeow-Chuan; Condamines, Cloé; Yang, Ming-Chung; Su, Ming-Der; So, Cheuk-Wai","A NHC-Silyliumylidene Cation for Catalytic N-Formylation of Amines Using Carbon Dioxide","ACS Catalysis","2020","","","14824","14833","10.1021/acscatal.0c03795","","","0.71073","MoKα","","0.114","0.0605","","","0.1324","0.1591","","","","","","1.022","","","","has coordinates","259491","2020-12-03","22:26:19",""
"4518279","13.2511","0.0019","13.2511","0.0019","23.039","0.005","90","","90","","120","","3503.5","1","373","2","373","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","Ag-levyne","","","- Ag9.02 O118.9 Si54 -","- Ag9.906 O118.8 Si54 -","- Ag9.906 O118.8 Si54 -","1","0.0277778","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.0856","0.0778","","","0.2329","0.2395","","","","","","1.129","","","","has coordinates","260415","2021-01-04","03:06:23",""
"4518280","12.912","0.003","12.912","0.003","23.67","0.005","90","0.03","90","0.03","120","0.03","3417.6","1.7","296","2","296","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Ag-levyne","","","- Ag7.75 O108 Si54 -","- Ag9.714 O108 Si54 -","- Ag9.714 O108 Si54 -","1","0.0555556","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.1102","0.0874","","","0.2285","0.2522","","","","","","1.127","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518281","12.9559","0.0018","12.9559","0.0018","23.611","0.005","90","","90","","120","","3432.3","1","498","2","498","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Ag-levyne","","","- Ag9.54 O108.74 Si54 -","- Ag9.495 O108 Si54 -","- Ag9.495 O108 Si54 -","1","0.0555556","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.1254","0.0645","","","0.1685","0.1967","","","","","","0.908","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518282","13.2131","0.0003","13.2131","0.0003","23.2393","0.001","90","","90","","120","","3513.69","0.19","398","2","398","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Ag-levyne","","","- Ag13.82 O121.24 Si54 -","- Ag14.886 O127.62 Si54 -","- Ag14.886 O127.62 Si54 -","1","0.0555556","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.085","0.0723","","","0.2013","0.2143","","","","","","1.113","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518283","13.3661","0.0004","13.3661","0.0004","22.6328","0.0008","90","","90","","120","","3501.7","0.19","323","2","323","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","Ag-levyne","","","- Ag3.41 O46.34 Si18 -","- Ag3.606 O46.368 Si18 -","- Ag10.818 O139.104 Si54 -","3","0.0833333","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.066","0.0597","","","0.1742","0.1805","","","","","","1.033","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518284","12.943","0.003","12.943","0.003","23.641","0.005","90","0.03","90","0.03","120","0.03","3429.8","1.7","296","2","296","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Ag-levyne","","","- Ag7.8 O108 Si54 -","- Ag7.728 O108 Si54 -","- Ag7.728 O108 Si54 -","1","0.0555556","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.1092","0.0812","","","0.224","0.2508","","","","","","1.101","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518285","12.955","0.003","12.955","0.003","23.623","0.005","90","0.03","90","0.03","120","0.03","3433.5","1.7","296","2","296","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Ag-levyne","","","- Ag7.98 O108 Si54 -","- Ag8.511 O108 Si54 -","- Ag8.511 O108 Si54 -","1","0.0555556","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.1198","0.0758","","","0.2118","0.2416","","","","","","1.092","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518286","13.115","0.0004","13.115","0.0004","23.4675","0.0013","90","","90","","120","","3495.7","0.2","423","2","423","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Ag-levyne","","","- Ag11.41 O112.23 Si54 -","- Ag11.484 O112.77 Si54 -","- Ag11.484 O112.77 Si54 -","1","0.0555556","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.0946","0.0862","","","0.2407","0.2491","","","","","","1.126","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518287","14.5145","0.0006","8.2297","0.0003","4.6059","0.0002","82.122","0.003","93.736","0.004","94.11","0.003","542.73","0.04","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C26 H32 O4 -","- C26 H32 O4 -","- C26 H32 O4 -","1","0.5","","Maranda-Niedbała, Agnieszka; Krzyżewska, Klaudyna; Kotwica, Kamil; Skórka, Łukasz; Drapała, Jakub; Jarzembska, Katarzyna N.; Zagórska, Małgorzata; Proń, Adam; Nowakowski, Robert","9,10-Anthraquinones Disubstituted with Linear Alkoxy Groups: Spectroscopy, Electrochemistry, and Peculiarities of Their 2D and 3D Supramolecular Organizations.","Langmuir : the ACS journal of surfaces and colloids","2020","","","","","10.1021/acs.langmuir.0c02586","","x-ray","1.54184","CuKα","","0.0815","0.0569","","","0.1555","0.1752","","","","","","1.149","","","","has coordinates","259547","2020-12-05","00:39:24",""
"4518288","8.186","0.0004","7.2626","0.0005","15.1791","0.0008","90","","101.81","0.005","90","","883.32","0.09","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 O4 -","- C22 H24 O4 -","- C44 H48 O8 -","2","0.5","","Maranda-Niedbała, Agnieszka; Krzyżewska, Klaudyna; Kotwica, Kamil; Skórka, Łukasz; Drapała, Jakub; Jarzembska, Katarzyna N.; Zagórska, Małgorzata; Proń, Adam; Nowakowski, Robert","9,10-Anthraquinones Disubstituted with Linear Alkoxy Groups: Spectroscopy, Electrochemistry, and Peculiarities of Their 2D and 3D Supramolecular Organizations.","Langmuir : the ACS journal of surfaces and colloids","2020","","","","","10.1021/acs.langmuir.0c02586","","x-ray","1.54184","CuKα","","0.0914","0.0819","","","0.2133","0.2335","","","","","","1.064","","","","has coordinates","259548","2020-12-05","00:39:44",""
"4518289","21.8747","0.0011","8.1797","0.0003","4.6063","0.0001","81.057","0.003","92.57","0.004","86.488","0.004","811.41","0.05","94.9","0.2","94.9","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H56 O4 -","- C38 H56 O4 -","- C38 H56 O4 -","1","0.5","","Maranda-Niedbała, Agnieszka; Krzyżewska, Klaudyna; Kotwica, Kamil; Skórka, Łukasz; Drapała, Jakub; Jarzembska, Katarzyna N.; Zagórska, Małgorzata; Proń, Adam; Nowakowski, Robert","9,10-Anthraquinones Disubstituted with Linear Alkoxy Groups: Spectroscopy, Electrochemistry, and Peculiarities of Their 2D and 3D Supramolecular Organizations.","Langmuir : the ACS journal of surfaces and colloids","2020","","","","","10.1021/acs.langmuir.0c02586","","x-ray","1.54184","CuKα","","0.155","0.1491","","","0.3545","0.3565","","","","","","1.155","","","","has coordinates","259549","2020-12-05","00:40:00",""
"4518290","16.9493","0.0006","8.1949","0.0004","4.6048","0.0002","81.744","0.004","93.137","0.003","90.74","0.003","632.01","0.05","94.9","0.2","94.9","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H40 O4 -","- C30 H40 O4 -","- C30 H40 O4 -","1","0.5","","Maranda-Niedbała, Agnieszka; Krzyżewska, Klaudyna; Kotwica, Kamil; Skórka, Łukasz; Drapała, Jakub; Jarzembska, Katarzyna N.; Zagórska, Małgorzata; Proń, Adam; Nowakowski, Robert","9,10-Anthraquinones Disubstituted with Linear Alkoxy Groups: Spectroscopy, Electrochemistry, and Peculiarities of Their 2D and 3D Supramolecular Organizations.","Langmuir : the ACS journal of surfaces and colloids","2020","","","","","10.1021/acs.langmuir.0c02586","","x-ray","1.54184","CuKα","","0.0607","0.0506","","","0.1403","0.1608","","","","","","1.113","","","","has coordinates","259550","2020-12-05","00:40:15",""
"4518291","19.4039","0.0008","8.1902","0.0003","4.6058","0.0002","81.289","0.003","92.907","0.004","88.36","0.003","722.1","0.05","94.95","0.18","94.95","0.18","","","","","","","","3","P -1","-P 1","2","","","","- C34 H48 O4 -","- C34 H48 O4 -","- C34 H48 O4 -","1","0.5","","Maranda-Niedbała, Agnieszka; Krzyżewska, Klaudyna; Kotwica, Kamil; Skórka, Łukasz; Drapała, Jakub; Jarzembska, Katarzyna N.; Zagórska, Małgorzata; Proń, Adam; Nowakowski, Robert","9,10-Anthraquinones Disubstituted with Linear Alkoxy Groups: Spectroscopy, Electrochemistry, and Peculiarities of Their 2D and 3D Supramolecular Organizations.","Langmuir : the ACS journal of surfaces and colloids","2020","","","","","10.1021/acs.langmuir.0c02586","","x-ray","1.54184","CuKα","","0.0573","0.0463","","","0.1211","0.135","","","","","","1.046","","","","has coordinates","259551","2020-12-05","00:40:29",""
"4518292","8.053","0.003","12.738","0.005","21.031","0.008","103.346","0.005","91.678","0.004","100.766","0.006","2056.2","1.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H17 N O2 S2 -","- C26 H17 N O2 S2 -","- C104 H68 N4 O8 S8 -","4","2","","Taki, Masayasu; Kajiwara, Keiji; Yamaguchi, Eriko; Sato, Yoshikatsu; Yamaguchi, Shigehiro","Fused Thiophene-S,S-dioxide-Based Super-Photostable Fluorescent Marker for Lipid Droplets","ACS Materials Letters","2020","","","42","49","10.1021/acsmaterialslett.0c00451","","","0.71075","MoKα","","0.1168","0.0587","","","0.1002","0.1332","","","","","","1.066","","","","has coordinates","259569","2020-12-05","22:46:50",""
"4518293","18.5988","0.0004","13.7054","0.0003","26.5064","0.0004","90","","104.133","0.0016","90","","6552.1","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C79 H45.5 Br2 F6 I2 O10 -","- C79 H45.5 Br2 F6 I2 O10 -","- C316 H182 Br8 F24 I8 O40 -","4","2","","Lai, Junshan; Fianchini, Mauro; Pericàs, Miquel A.","Development of Immobilized SPINOL-Derived Chiral Phosphoric Acids for Catalytic Continuous Flow Processes. Use in the Catalytic Desymmetrization of 3,3-Disubstituted Oxetanes","ACS Catalysis","2020","","","14971","14983","10.1021/acscatal.0c04497","","","0.71075","MoKα","","0.0993","0.0676","","","0.1666","0.1756","","","","","","1.151","","","","has coordinates,has disorder","259633","2020-12-06","22:22:23",""
"4518294","10.5561","0.0008","23.972","0.002","13.3418","0.0011","90","","92.033","0.002","90","","3374","0.5","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C32 H32 Br2 Cl2 N4 O Pd -","- C32 H30 Br2 Cl2 N4 O Pd -","- C128 H120 Br8 Cl8 N16 O4 Pd4 -","4","1","","Mansour, Waseem; Fettouhi, Mohammed; El Ali, Bassam","Regioselective Synthesis of Chromones via Cyclocarbonylative Sonogashira Coupling Catalyzed by Highly Active Bridged-Bis(N-Heterocyclic Carbene)Palladium(II) Complexes.","ACS omega","2020","5","50","32515","32529","10.1021/acsomega.0c04706","","","0.71073","MoKα","","0.1308","0.0716","","","0.1905","0.2298","","","","","","1.112","","","","has coordinates,has disorder","260413","2021-01-04","03:05:42",""
"4518295","16.2158","0.0006","18.1879","0.0007","9.2992","0.0004","90","","90","","90","","2742.63","0.19","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H35 Br2 N5 O Pd -","- C26 H31 Br2 N5 O Pd -","- C104 H124 Br8 N20 O4 Pd4 -","4","0.5","","Mansour, Waseem; Fettouhi, Mohammed; El Ali, Bassam","Regioselective Synthesis of Chromones via Cyclocarbonylative Sonogashira Coupling Catalyzed by Highly Active Bridged-Bis(N-Heterocyclic Carbene)Palladium(II) Complexes.","ACS omega","2020","5","50","32515","32529","10.1021/acsomega.0c04706","","","0.71073","MoKα","","0.0473","0.0342","","","0.108","0.1299","","","","","","0.989","","","","has coordinates","260413","2021-01-04","03:05:43",""
"4518296","6.568","0.0003","11.6282","0.0005","23.0177","0.0009","75.5708","0.0013","83.3292","0.0016","78.5791","0.0015","1664.65","0.12","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.0763","0.0408","","","0.096","0.112","","","","","","1.015","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518297","6.5588","0.0005","11.5965","0.0009","22.9328","0.0019","75.503","0.002","83.173","0.004","78.623","0.003","1651.1","0.2","240","2","240","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.0729","0.0468","","","0.1207","0.1351","","","","","","1.056","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518298","6.5414","0.0003","11.5478","0.0004","22.833","0.0008","75.2496","0.0011","82.6125","0.0013","78.6305","0.0013","1629.61","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.0535","0.035","","","0.0825","0.0914","","","","","","1.047","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518299","6.5356","0.0003","11.5341","0.0004","22.7933","0.0008","75.1696","0.001","82.3422","0.0013","78.4758","0.0012","1621.36","0.11","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.0448","0.0332","","","0.0802","0.0865","","","","","","1.073","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518300","6.5315","0.0003","11.5254","0.0004","22.771","0.0008","75.117","0.0011","82.1363","0.0013","78.3126","0.0013","1615.78","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.0423","0.0331","","","0.0822","0.0878","","","","","","1.077","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518301","6.5139","0.0005","11.5037","0.0008","22.7147","0.0015","75.0113","0.0018","81.627","0.002","77.828","0.002","1599.7","0.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.0637","0.037","","","0.0686","0.0762","","","","","","1.053","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518302","6.6304","0.0002","21.0748","0.0007","23.9202","0.0007","90","","90.003","0.0013","90","","3342.47","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C128 H160 O32 Rh8 -","8","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1429","0.0537","","","0.1049","0.1326","","","","","","1.031","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518303","6.6058","0.0003","21.0338","0.0009","23.8461","0.001","90","","90.0345","0.0019","90","","3313.3","0.2","270","2","270","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C128 H160 O32 Rh8 -","8","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1535","0.0587","","","0.1067","0.1347","","","","","","1.033","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518304","6.5928","0.0004","21.0139","0.0011","23.8126","0.0012","90","","90.045","0.002","90","","3299","0.3","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C128 H160 O32 Rh8 -","8","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1544","0.0611","","","0.1089","0.1361","","","","","","1.03","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518305","6.5696","0.0004","20.9644","0.0011","23.7521","0.0013","90","","90.06","0.002","90","","3271.3","0.3","230","2","230","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C128 H160 O32 Rh8 -","8","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1438","0.0621","","","0.1216","0.1494","","","","","","1.033","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518306","6.5457","0.0006","15.7693","0.0012","16.544","0.0013","80.615","0.003","78.588","0.003","78.062","0.003","1624.4","0.2","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1361","0.0786","","","0.2228","0.2574","","","","","","1.045","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518307","6.5348","0.0006","15.7451","0.0013","16.5205","0.0013","80.633","0.003","78.662","0.003","78.214","0.004","1618.1","0.2","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1366","0.0865","","","0.2461","0.2808","","","","","","1.06","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518308","6.5234","0.0006","15.7418","0.0013","16.5027","0.0013","80.546","0.003","78.61","0.003","78.031","0.003","1611.7","0.2","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1253","0.0795","","","0.2308","0.2611","","","","","","1.073","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518309","6.519","0.0006","15.7324","0.0013","16.4956","0.0013","80.55","0.003","78.591","0.003","78.079","0.003","1609.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1256","0.0816","","","0.2297","0.2571","","","","","","1.055","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518310","6.5067","0.0005","15.7132","0.0011","16.4758","0.0012","80.514","0.003","78.597","0.003","78.097","0.003","1602.2","0.2","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1181","0.0789","","","0.1999","0.2226","","","","","","1.077","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518311","6.4984","0.0005","15.701","0.0011","16.4654","0.0012","80.51","0.003","78.607","0.003","78.086","0.003","1597.9","0.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1177","0.0816","","","0.2193","0.2425","","","","","","1.035","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518312","6.4946","0.0005","15.6923","0.0011","16.4564","0.0011","80.465","0.003","78.618","0.003","78.041","0.003","1594.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1063","0.0799","","","0.2238","0.2456","","","","","","1.062","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518313","6.6281","0.0002","21.0702","0.0006","23.9189","0.0007","90","","90.0073","0.0013","90","","3340.4","0.17","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C128 H160 O32 Rh8 -","8","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1455","0.0529","","","0.104","0.1346","","","","","","1.014","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518314","36.195","0.002","22.3462","0.0015","23.7378","0.0013","90","","90","","90","","19200","2","100","2","100","2","","","","","","","","8","P b a n :2","-P 2ab 2b","50","","","","- C304 H296 Ag8 Au10 Cl2 N8 O8 P8 -","- C304 H296 Ag8 Au10 N8 P8 -","- C608 H592 Ag16 Au20 N16 P16 -","2","0.25","","Huang, Ya-Zi; Shi, Lin-Xi; Wang, Jin-Yun; Su, Hai-Feng; Chen, Zhong-Ning","Elaborate Design of Ag<sub>8</sub>Au<sub>10</sub> Cluster [2]Catenane Phosphors for High-Efficiency Light-Emitting Devices.","ACS applied materials & interfaces","2020","12","51","57264","57270","10.1021/acsami.0c17091","","","0.71073","MoKα","","0.1024","0.0612","","","0.178","0.2086","","","","","","1.03","","","","has coordinates","260408","2021-01-04","03:03:01",""
"4518315","51.903","0.005","12.622","0.0014","40.038","0.003","90","","100.445","0.003","90","","25795","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H220 Ag4 Au6 N10 -","- C192 H188 Ag4 Au6 N8 -","- C768 H752 Ag16 Au24 N32 -","4","0.5","","Huang, Ya-Zi; Shi, Lin-Xi; Wang, Jin-Yun; Su, Hai-Feng; Chen, Zhong-Ning","Elaborate Design of Ag<sub>8</sub>Au<sub>10</sub> Cluster [2]Catenane Phosphors for High-Efficiency Light-Emitting Devices.","ACS applied materials & interfaces","2020","12","51","57264","57270","10.1021/acsami.0c17091","","","0.71073","MoKα","","0.1709","0.0896","","","0.2331","0.2668","","","","","","1.078","","","","has coordinates","260408","2021-01-04","03:03:02",""
"4518316","40.5381","0.0012","40.5381","0.0012","24.2982","0.0006","90","","90","","90","","39930.1","1.9","100","2","100","2","","","","","","","","8","P 4 2 2","P 4 2","89","","","","- C336 H304 Ag8 Au10 Cl2 N8 O8 P8 -","- C336 H304 Ag8 Au10 N8 P8 -","- C1344 H1216 Ag32 Au40 N32 P32 -","4","0.5","","Huang, Ya-Zi; Shi, Lin-Xi; Wang, Jin-Yun; Su, Hai-Feng; Chen, Zhong-Ning","Elaborate Design of Ag<sub>8</sub>Au<sub>10</sub> Cluster [2]Catenane Phosphors for High-Efficiency Light-Emitting Devices.","ACS applied materials & interfaces","2020","12","51","57264","57270","10.1021/acsami.0c17091","","","0.71073","MoKα","","0.0708","0.0529","","","0.1464","0.1572","","","","","","1.061","","","","has coordinates","260408","2021-01-04","03:03:02",""
"4518317","5.7103","0.0001","14.1241","0.0004","21.931","0.0006","90","","90","","90","","1768.8","0.08","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(+)-10r","","","- C20 H21 N3 O2 -","- C20 H21 N3 O2 -","- C80 H84 N12 O8 -","4","1","","Porter, Matthew R.; Xiao, Haiyan; Maity, Sanjay; Vail, Nora; Smith, Sylvia B.; Topczewski, Joseph J.","Enhanced Affinity for 3-Amino-Chromane-Derived σ<sub>1</sub> Receptor Ligands.","ACS omega","2020","5","50","32724","32737","10.1021/acsomega.0c05117","","","0.71073","MoKα","","0.0436","0.0377","","","0.116","0.1223","","","","","","0.958","","","","has coordinates","260414","2021-01-04","03:05:51",""
"4518318","22.1472","0.0019","6.7744","0.0006","11.9744","0.001","90","","113.721","0.003","90","","1644.8","0.2","125","2","125","2","","","","","","","","5","C 1 2 1","C 2y","5","(+)-3e","","","- C19 H20 Cl N O2 -","- C19 H20 Cl N O2 -","- C76 H80 Cl4 N4 O8 -","4","1","","Porter, Matthew R.; Xiao, Haiyan; Maity, Sanjay; Vail, Nora; Smith, Sylvia B.; Topczewski, Joseph J.","Enhanced Affinity for 3-Amino-Chromane-Derived σ<sub>1</sub> Receptor Ligands.","ACS omega","2020","5","50","32724","32737","10.1021/acsomega.0c05117","","","0.71073","MoKα","","0.0514","0.037","","","0.0794","0.0857","","","","","","1.03","","","","has coordinates","260414","2021-01-04","03:05:51",""
"4518319","16.6433","0.0002","16.6433","0.0002","23.8476","0.0004","90","","90","","90","","6605.77","0.16","150","0.1","150","0.1","","","","","","","","4","I 4 2 2","I 4 2","97","","","","- C14 H8 O6 Ti -","- C14 H8 O6 Ti -","- C224 H128 O96 Ti16 -","16","1","","Sun, Yayong; Lu, Dong-Fei; Sun, Yuexin; Gao, Mei-Yan; Zheng, Nan; Gu, Cheng; Wang, Fei; Zhang, Jian","Large Titanium-Oxo Clusters as Precursors to Synthesize the Single Crystals of Ti-MOFs","ACS Materials Letters","2020","","","64","68","10.1021/acsmaterialslett.0c00456","","x-ray","1.54184","CuKα","","0.04","0.0384","","","0.1072","0.1089","","","","","","1.084","","","","has coordinates","259875","2020-12-14","22:45:23",""
"4518320","18.7537","0.0003","18.7537","0.0003","21.8194","0.0005","90","","90","","90","","7673.9","0.2","99.9","0.6","99.9","0.6","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C14 H8 O7 S Ti -","- C14 H8 O7 S Ti -","- C224 H128 O112 S16 Ti16 -","16","1","","Sun, Yayong; Lu, Dong-Fei; Sun, Yuexin; Gao, Mei-Yan; Zheng, Nan; Gu, Cheng; Wang, Fei; Zhang, Jian","Large Titanium-Oxo Clusters as Precursors to Synthesize the Single Crystals of Ti-MOFs","ACS Materials Letters","2020","","","64","68","10.1021/acsmaterialslett.0c00456","","x-ray","1.3405","GaKα","","0.058","0.0529","","","0.1621","0.1669","","","","","","1.104","","","","has coordinates","259875","2020-12-14","22:45:34",""
"4518321","10.3196","0.0003","22.1225","0.0005","11.2683","0.0003","90","","113.551","0.004","90","","2358.22","0.13","110.88","0.11","110.88","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 O9 S2 Ti -","- C19 H28 O9 S2 Ti -","- C76 H112 O36 S8 Ti4 -","4","1","","Sun, Yayong; Lu, Dong-Fei; Sun, Yuexin; Gao, Mei-Yan; Zheng, Nan; Gu, Cheng; Wang, Fei; Zhang, Jian","Large Titanium-Oxo Clusters as Precursors to Synthesize the Single Crystals of Ti-MOFs","ACS Materials Letters","2020","","","64","68","10.1021/acsmaterialslett.0c00456","","x-ray","1.3405","GaKα","","0.0345","0.0298","","","0.0742","0.0762","","","","","","1.026","","","","has coordinates","259875","2020-12-14","22:45:35",""
"4518322","7.3824","0.0011","15.126","0.003","16.343","0.002","67.449","0.002","88.762","0.002","75.874","0.001","1629.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H35 I N4 O2 -","- C35 H35 I N4 O2 -","- C70 H70 I2 N8 O4 -","2","1","","Zhang, Cheng; Li, Hua; Lin, Shixin; Su, Yanna; Zhang, Qijian; Li, Yang; Wang, Kuaibing; Lu, Jianmei","Fabrication of One-Dimensional Organic Nanofiber Networks <i>via</i> Electrophoretic Deposition for a Nonvolatile Memory Device.","ACS applied materials & interfaces","2020","12","51","57254","57263","10.1021/acsami.0c09763","","","0.71073","MoKα","","0.0617","0.0472","","","0.1126","0.1218","","","","","","1.211","","","","has coordinates","260407","2021-01-04","03:02:35",""
"4518323","38.8146","0.0015","38.8146","0.0015","11.1146","0.0004","90","","90","","120","","14501.6","0.9","273","2","273","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C414 H204 O232 Tb30 -","- C414 H162 O232.5 Tb30 -","- C414 H162 O232.5 Tb30 -","1","0.111111","","Chai, Hong-mei; Zhang, Gang-qiang; Jiao, Chun-xia; Ren, Yi-xia; Gao, Lou-jun","A Multifunctional Tb-MOF Detector for H2O2, Fe3+, Cr2O72‒, and TPA Explosive Featuring Coexistence of Binuclear and Tetranuclear Clusters","ACS Omega","2020","5","51","33039","33046","10.1021/acsomega.0c04526","","","0.71073","MoKα","","0.0351","0.034","","","0.1143","0.1153","","","","","","1.032","","","","has coordinates","260410","2021-01-04","03:04:12",""
"4518324","11.414","0.0014","10.9106","0.0009","9.0833","0.0011","90","","100.36","0.012","90","","1112.7","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N4 O4 -","- C11 H8 N4 O4 -","- C44 H32 N16 O16 -","4","1","","Obydennov, Dmitrii L.; Simbirtseva, Alena E.; Piksin, Sergey E.; Sosnovskikh, Vyacheslav Y.","2,6-Dicyano-4-pyrone as a Novel and Multifarious Building Block for the Synthesis of 2,6-Bis(hetaryl)-4-pyrones and 2,6-Bis(hetaryl)-4-pyridinols","ACS Omega","2020","5","51","33406","33420","10.1021/acsomega.0c05357","","x-ray","0.71073","MoKα","","0.1361","0.0704","","","0.1705","0.2384","","","","","","1.047","","","","has coordinates","260411","2021-01-04","03:04:25",""
"4518325","24.9856","0.001","7.5306","0.0003","24.9215","0.001","90","","166.242","0.0007","90","","1115.21","0.1","150","","150","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C32 H30 -","- C32 H30 -","- C64 H60 -","2","1","","Zhang, Dongwei; Yokomori, So; Kameyama, Ryohei; Zhao, Changbin; Ueda, Akira; Zhang, Lei; Kumai, Reiji; Murakami, Youichi; Meng, Hong; Mori, Hatsumi","Effect of Alkyl Chain Length on Charge Transport Property of Anthracene-Based Organic Semiconductors.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16144","","","0.99516","synchrotron","","0.0624","0.053","","","0.138","0.1429","","","","","","0.962","","","","has coordinates","259951","2020-12-18","22:08:46",""
"4518326","20.74","0.002","7.541","0.0008","6.0844","0.0006","90","","95.32","0.01","90","","947.5","0.17","296","","296","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 -","- C28 H22 -","- C56 H44 -","2","0.5","","Zhang, Dongwei; Yokomori, So; Kameyama, Ryohei; Zhao, Changbin; Ueda, Akira; Zhang, Lei; Kumai, Reiji; Murakami, Youichi; Meng, Hong; Mori, Hatsumi","Effect of Alkyl Chain Length on Charge Transport Property of Anthracene-Based Organic Semiconductors.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16144","","","0.71073","MoKα","","0.1582","0.0717","","","0.1837","0.2441","","","","","","1.058","","","","has coordinates","259952","2020-12-18","22:09:08",""
"4518327","10.0807","0.0004","11.1859","0.0005","12.2258","0.0005","74.6461","0.0009","84.2332","0.0009","88.2173","0.0009","1322.66","0.1","110","2","110","2","","","","","","","","6","P -1","-P 1","2","Rajender052820_1","","","- C28 H33 B Br N O4 -","- C28 H33 B Br N O4 -","- C56 H66 B2 Br2 N2 O8 -","2","1","","Nallagonda, Rajender; Karimov, Rashad R.","Copper-Catalyzed Regio- and Diastereoselective Additions of Boron-Stabilized Carbanions to Heteroarenium Salts: Synthesis of Azaheterocycles Containing Contiguous Stereocenters","ACS Catalysis","2020","","","248","254","10.1021/acscatal.0c04474","","","1.54184","CuKα","","0.0351","0.0351","","","0.0868","0.0868","","","","","","1.099","","","","has coordinates","259953","2020-12-18","22:15:21",""
"4518328","9.2929","0.0004","11.4055","0.0005","12.1564","0.0005","104.13","0.001","93.917","0.001","90.897","0.001","1245.86","0.09","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 B0 N2 O4 S -","- C26 H32 B N O4 S -","- C52 H64 B2 N2 O8 S2 -","2","1","","Nallagonda, Rajender; Karimov, Rashad R.","Copper-Catalyzed Regio- and Diastereoselective Additions of Boron-Stabilized Carbanions to Heteroarenium Salts: Synthesis of Azaheterocycles Containing Contiguous Stereocenters","ACS Catalysis","2020","","","248","254","10.1021/acscatal.0c04474","","","1.54178","CuKα","","0.0361","0.036","","","0.0934","0.0935","","","","","","1.045","","","","has coordinates","259954","2020-12-18","22:15:51",""
"4518329","22.834","0.002","14.4584","0.0012","6.9109","0.0007","90","","95.391","0.004","90","","2271.5","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H80 Cu4 N64 O8 -","- C72 H64 Cu4 N56 O8 -","- C72 H64 Cu4 N56 O8 -","1","0.125","","Zhu, Ke; Fan, Ruiqing; Wu, Jingkun; Wang, Bowen; Lu, Haoyang; Zheng, Xubin; Sun, Tiancheng; Gai, Shuang; Zhou, Xuesong; Yang, Yulin","MOF-on-MOF Membrane with Cascading Functionality for Capturing Dichromate Ions and <i>p</i>-Arsanilic Acid Turn-On Sensing.","ACS applied materials & interfaces","2020","12","52","58239","58251","10.1021/acsami.0c17875","","","0.71073","MoKα","","0.0999","0.0695","","","0.1879","0.207","","","","","","1.221","","","","has coordinates","260409","2021-01-04","03:03:16",""
"4518330","5.9005","0.0009","11.2726","0.0017","19.109","0.003","81.591","0.004","83.727","0.004","89.962","0.004","1249.7","0.3","293","2","293.15","","","","","","","","","5","P 1","P 1","1","","","","- C20 H32 Cd Cl4 N2 -","- C20 H32 Cd Cl4 N2 -","- C40 H64 Cd2 Cl8 N4 -","2","2","","Li, Lin-Sui; Tan, Yu-Hui; Wei, Wen-Juan; Gao, Hong-Qiang; Tang, Yun-Zhi; Han, Xiao-Bo","Chiral Switchable Low-Dimensional Perovskite Ferroelectrics","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c19507","","","0.71073","MoKα","","0.0708","0.0563","","","0.1327","0.1467","","","","","","1.052","","","","has coordinates","260061","2020-12-21","22:13:01",""
"4518331","37.8061","0.0011","5.5428","0.0002","11.8831","0.0004","90","","98.825","0.003","90","","2460.64","0.14","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H32 Cd Cl4 N2 -","- C20 H32 Cd Cl4 N2 -","- C80 H128 Cd4 Cl16 N8 -","4","1","","Li, Lin-Sui; Tan, Yu-Hui; Wei, Wen-Juan; Gao, Hong-Qiang; Tang, Yun-Zhi; Han, Xiao-Bo","Chiral Switchable Low-Dimensional Perovskite Ferroelectrics","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c19507","","","0.71073","MoKα","","0.0549","0.0497","","","0.1308","0.1375","","","","","","1.048","","","","has coordinates","260062","2020-12-21","22:13:21",""
"4518332","13.793","0.002","18.478","0.003","20.113","0.003","90","","90","","90","","5126.1","1.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 S -","- C31 H29 N O2 S -","- C248 H232 N8 O16 S8 -","8","1","","Zhong, Long-Jin; Li, Yang; An, De-Lie; Li, Jin-Heng","Heteroannulation of N-Fluoro-N-alkylsulfonamides with Terminal Alkynes via Remote C(sp3)‒H Functionalization","ACS Catalysis","2020","","","383","389","10.1021/acscatal.0c03853","","","0.71073","MoKα","","0.0563","0.0388","","","0.0964","0.1075","","","","","","1.032","","","","has coordinates","260063","2020-12-21","22:20:40",""
"4518333","9.5576","0.0015","10.4043","0.0018","14.441","0.003","90","","91.99","0.004","90","","1435.1","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 N4 O8 Pt -","- C8 H16 N4 O8 Pt -","- C32 H64 N16 O32 Pt4 -","4","1","","Ling, Xiang; Jiang, Xiaomin; Li, Youyou; Han, Wenbo; Rodriguez, Megan; Xu, Ziwan; Lin, Wenbin","Sequential Treatment of Bioresponsive Nanoparticles Elicits Antiangiogenesis and Apoptosis and Synergizes with a CD40 Agonist for Antitumor Immunity","ACS Nano","2020","","","","","10.1021/acsnano.0c07132","","","0.41328","synchrotron","","0.0714","0.066","","","0.1543","0.1587","","","","","","1.031","","","","has coordinates","260065","2020-12-21","22:47:09",""
"4518334","13.6349","0.0006","13.8194","0.0005","20.9311","0.001","90","","96.357","0.005","90","","3919.7","0.3","293.44","0.1","293.44","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H26 F16 Ir N6 O P -","- C35 H26 F16 Ir N6 O P -","- C140 H104 F64 Ir4 N24 O4 P4 -","4","1","","He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang","Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization","ACS Catalysis","2020","","","446","455","10.1021/acscatal.0c05005","","","0.71073","MoKα","","0.0859","0.0527","","","0.1074","0.1287","","","","","","1.05","","","","has coordinates","260080","2020-12-22","22:15:00",""
"4518335","13.4456","0.0006","15.4907","0.0006","19.3081","0.0009","90","","108.084","0.005","90","","3822.9","0.3","293.73","0.1","293.73","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H20 F16 Ir N6 P -","- C37 H20 F16 Ir N6 P -","- C148 H80 F64 Ir4 N24 P4 -","4","1","","He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang","Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization","ACS Catalysis","2020","","","446","455","10.1021/acscatal.0c05005","","","0.71073","MoKα","","0.0693","0.0445","","","0.0895","0.1043","","","","","","1.049","","","","has coordinates","260081","2020-12-22","22:15:24",""
"4518336","19.625","0.0006","17.8886","0.0005","17.9372","0.0006","90","","93.187","0.003","90","","6287.4","0.3","293.8","0.1","293.8","0.1","","","","","","","","5","C 1 2/n 1","-C 2yac","15","","","","- C32 H16 F10 Ir N5 -","- C32 H16 F10 Ir N5 -","- C256 H128 F80 Ir8 N40 -","8","1","","He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang","Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization","ACS Catalysis","2020","","","446","455","10.1021/acscatal.0c05005","","","0.71073","MoKα","","0.0618","0.0445","","","0.1167","0.1283","","","","","","1.086","","","","has coordinates","260082","2020-12-22","22:23:26",""
"4518337","10.5004","0.0006","9.9404","0.0005","16.6691","0.001","90","","106.602","0.006","90","","1667.36","0.17","293.75","0.1","293.75","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O3 S2 -","- C18 H15 N O3 S2 -","- C72 H60 N4 O12 S8 -","4","1","","He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang","Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization","ACS Catalysis","2020","","","446","455","10.1021/acscatal.0c05005","","","0.71073","MoKα","","0.0711","0.046","","","0.0955","0.11","","","","","","1.056","","","","has coordinates","260083","2020-12-22","22:23:47",""
"4518338","20.2832","0.0011","20.7079","0.0009","18.8839","0.0011","90","","107.83","0.006","90","","7550.7","0.7","293.94","0.1","293.94","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H21 F16 Ir N5 P -","- C38 H21 F16 Ir N5 P -","- C304 H168 F128 Ir8 N40 P8 -","8","1","","He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang","Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization","ACS Catalysis","2020","","","446","455","10.1021/acscatal.0c05005","","","0.71073","MoKα","","0.0812","0.0559","","","0.1163","0.1365","","","","","","1.05","","","","has coordinates","260084","2020-12-22","22:24:09",""
"4518339","5.221","0.0009","12.037","0.003","14.359","0.003","78.97","0.02","84.119","0.016","87.601","0.017","880.8","0.3","293.25","0.16","293.25","0.16","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C46 H36 N4 O4 -","2","1","","He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang","Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization","ACS Catalysis","2020","","","446","455","10.1021/acscatal.0c05005","","","0.71073","MoKα","","0.1777","0.0769","","","0.1572","0.2232","","","","","","1.055","","","","has coordinates","260085","2020-12-22","22:24:32",""
"4518340","20.3077","0.0007","20.7973","0.0008","18.9412","0.0007","90","","107.616","0.004","90","","7624.6","0.5","293.63","0.1","293.63","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H21 F16 Ir N5 P -","- C38 H21 F16 Ir N5 P -","- C304 H168 F128 Ir8 N40 P8 -","8","1","","He, Jian; Bai, Zhi-Qin; Yuan, Pan-Feng; Wu, Li-Zhu; Liu, Qiang","Highly Efficient Iridium-Based Photosensitizers for Thia-Paternò‒Büchi Reaction and Aza-Photocyclization","ACS Catalysis","2020","","","446","455","10.1021/acscatal.0c05005","","","0.71073","MoKα","","0.0576","0.0379","","","0.0589","0.0682","","","","","","1.001","","","","has coordinates,has disorder","260086","2020-12-22","22:25:00",""
"4518341","15.2075","0.0009","6.9155","0.0004","20.9784","0.0011","90","","110.663","0.004","90","","2064.3","0.2","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 O2 -","- C12 H14 O2 -","- C96 H112 O16 -","8","1","","Nguyen, Kevin; Clement, Helen A.; Bernier, Louise; Coe, Jotham W.; Farrell, William; Helal, Christopher J.; Reese, Matthew R.; Sach, Neal W.; Lee, Jack C.; Hall, Dennis G.","Catalytic Enantioselective Synthesis of a cis-β-Boronyl Cyclobutylcarboxyester Scaffold and Its Highly Diastereoselective Nickel/Photoredox Dual-Catalyzed Csp3‒Csp2 Cross-Coupling to Access Elusive trans-β-Aryl/Heteroaryl Cyclobutylcarboxyesters","ACS Catalysis","2020","","","404","413","10.1021/acscatal.0c04520","","","1.54178","CuKα","","0.0577","0.0428","","","0.1106","0.1192","","","","","","1.033","","","","has coordinates,has disorder","260087","2020-12-22","22:25:23",""
"4518342","20.0712","0.0012","30.159","0.002","6.8657","0.0005","90","","90","","90","","4156","0.5","173","2","173","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C18 H15 B Br2 F3 K O2 -","- C18 H15 B Br2 F3 K O2 -","- C144 H120 B8 Br16 F24 K8 O16 -","8","2","","Nguyen, Kevin; Clement, Helen A.; Bernier, Louise; Coe, Jotham W.; Farrell, William; Helal, Christopher J.; Reese, Matthew R.; Sach, Neal W.; Lee, Jack C.; Hall, Dennis G.","Catalytic Enantioselective Synthesis of a cis-β-Boronyl Cyclobutylcarboxyester Scaffold and Its Highly Diastereoselective Nickel/Photoredox Dual-Catalyzed Csp3‒Csp2 Cross-Coupling to Access Elusive trans-β-Aryl/Heteroaryl Cyclobutylcarboxyesters","ACS Catalysis","2020","","","404","413","10.1021/acscatal.0c04520","","","1.54178","CuKα","","0.117","0.0775","","","0.1877","0.2111","","","","","","0.941","","","","has coordinates","260088","2020-12-22","22:25:45",""
"4518343","9.1022","0.0009","11.2466","0.0011","27.186","0.003","90","","90","","90","","2783","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 B O5 -","- C31 H35 B O5 -","- C124 H140 B4 O20 -","4","1","","Nguyen, Kevin; Clement, Helen A.; Bernier, Louise; Coe, Jotham W.; Farrell, William; Helal, Christopher J.; Reese, Matthew R.; Sach, Neal W.; Lee, Jack C.; Hall, Dennis G.","Catalytic Enantioselective Synthesis of a cis-β-Boronyl Cyclobutylcarboxyester Scaffold and Its Highly Diastereoselective Nickel/Photoredox Dual-Catalyzed Csp3‒Csp2 Cross-Coupling to Access Elusive trans-β-Aryl/Heteroaryl Cyclobutylcarboxyesters","ACS Catalysis","2020","","","404","413","10.1021/acscatal.0c04520","","","0.71073","MoKα","","0.0472","0.0374","","","0.0907","0.0974","","","","","","1.033","","","","has coordinates","260089","2020-12-22","22:26:07",""
"4518344","9.9703","0.001","6.6561","0.0007","23.191","0.002","90","","92.294","0.001","90","","1537.8","0.3","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Au N19 O3 -","- C4 H12 Au N19 O3 -","- C16 H48 Au4 N76 O12 -","4","1","","Tappan, Bryce C.; Steiner III, Stephen A.; Dervishi, Enkeleda; Mueller, Alexander H.; Scott, Brian L.; Sheehan, Chris; Luther, Erik P.; Lichthardt, Joseph P.; Dirmyer, Matthew R.","Monolithic Nanoporous Gold Foams with Catalytic Activity for Chemical Vapor Deposition Growth of Carbon Nanostructures","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c17624","","","0.71073","MoKα","","0.0345","0.0255","","","0.0559","0.0596","","","","","","0.924","","","","has coordinates","260146","2020-12-24","22:13:40",""
"4518345","30.933","0.0007","17.5225","0.0006","24.1606","0.0007","90","","92.0449","0.001","90","","13087.3","0.7","113","2","113","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C118 H75 Cl18 F12 N4 O16.5 Rh2 S8 -","- C118 H75 Cl18 F12 N4 O16.5 Rh2 S8 -","- C472 H300 Cl72 F48 N16 O66 Rh8 S32 -","4","1","","Murai, Takuya; Lu, Wenjie; Kuribayashi, Toshifumi; Morisaki, Kazuhiro; Ueda, Yoshihiro; Hamada, Shohei; Kobayashi, Yusuke; Sasamori, Takahiro; Tokitoh, Norihiro; Kawabata, Takeo; Furuta, Takumi","Conformational Control in Dirhodium(II) Paddlewheel Catalysts Supported by Chalcogen-Bonding Interactions for Stereoselective Intramolecular C‒H Insertion Reactions","ACS Catalysis","2020","","","568","578","10.1021/acscatal.0c03689","","","0.71075","MoKα","","0.0897","0.0604","","","0.1479","0.179","","","","","","1.071","","","","has coordinates,has disorder","260175","2020-12-28","22:19:25",""
"4518346","14.4646","0.0003","23.7613","0.0005","26.3686","0.0006","90","","90","","90","","9062.8","0.3","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C98 H66 Cl6 F12 N4 O14 Rh2 -","- C98 H66 Cl6 F12 N4 O14 Rh2 -","- C392 H264 Cl24 F48 N16 O56 Rh8 -","4","1","","Murai, Takuya; Lu, Wenjie; Kuribayashi, Toshifumi; Morisaki, Kazuhiro; Ueda, Yoshihiro; Hamada, Shohei; Kobayashi, Yusuke; Sasamori, Takahiro; Tokitoh, Norihiro; Kawabata, Takeo; Furuta, Takumi","Conformational Control in Dirhodium(II) Paddlewheel Catalysts Supported by Chalcogen-Bonding Interactions for Stereoselective Intramolecular C‒H Insertion Reactions","ACS Catalysis","2020","","","568","578","10.1021/acscatal.0c03689","","","0.71075","MoKα","","0.0988","0.0529","","","0.1018","0.1393","","","","","","1.169","","","","has coordinates","260176","2020-12-28","22:19:53",""
"4518347","10.4116","0.0004","15.2831","0.0003","16.3622","0.0005","71.608","0.0013","89.077","0.0014","85.189","0.003","2461.74","0.13","103","2","103","2","","","","","","","","5","P 1","P 1","1","","","","- C110 H94 N10 O16 Rh2 -","- C110 H94 N10 O16 Rh2 -","- C110 H94 N10 O16 Rh2 -","1","1","","Murai, Takuya; Lu, Wenjie; Kuribayashi, Toshifumi; Morisaki, Kazuhiro; Ueda, Yoshihiro; Hamada, Shohei; Kobayashi, Yusuke; Sasamori, Takahiro; Tokitoh, Norihiro; Kawabata, Takeo; Furuta, Takumi","Conformational Control in Dirhodium(II) Paddlewheel Catalysts Supported by Chalcogen-Bonding Interactions for Stereoselective Intramolecular C‒H Insertion Reactions","ACS Catalysis","2020","","","568","578","10.1021/acscatal.0c03689","","","0.71075","MoKα","","0.0726","0.0496","","","0.1037","0.1146","","","","","","1.017","","","","has coordinates","260177","2020-12-28","22:20:10",""
"4518348","12.9466","0.0003","12.9466","0.0003","12.9466","0.0003","90","","90","","90","","2170.04","0.09","293","2","293","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- H1.57 La2.95 Li3.73 O12 Ta1.1 Zr0.9 -","- H3 La2.9553 Li3.765 O12 Ta1.1022 Zr0.898 -","- H24 La23.6424 Li30.12 O96 Ta8.8176 Zr7.184 -","8","0.166667","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","x-ray","0.71073","MoKα","","0.0163","0.0161","","","0.0325","0.0326","","","","","","1.185","","","","has coordinates","260199","2020-12-29","22:15:01",""
"4518349","12.9667","0.0008","12.9667","0.0008","12.9667","0.0008","90","","90","","90","","2180.2","0.2","293","2","293","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- H2.91 La2.95 Li3.29 O12 Ta1.1 Zr0.9 -","- H3.12 La2.9544 Li3.27 O12 Ta1.0976 Zr0.902 -","- H24.96 La23.6352 Li26.16 O96 Ta8.7808 Zr7.216 -","8","0.166667","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","x-ray","0.71073","MoKα","","0.0161","0.016","","","0.0329","0.0329","","","","","","1.195","","","","has coordinates","260199","2020-12-29","22:15:02",""
"4518350","12.9768","0.0003","12.9768","0.0003","12.9768","0.0003","90","","90","","90","","2185.26","0.09","293","2","293","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- H2.26 La2.92 Li3.04 O12 Ta1.05 Zr0.95 -","- H2.4 La2.919 Li3.075 O12 Ta1.0496 Zr0.95 -","- H19.2 La23.352 Li24.6 O96 Ta8.3968 Zr7.6 -","8","0.166667","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","x-ray","0.71073","MoKα","","0.0158","0.0155","","","0.0318","0.0319","","","","","","1.314","","","","has coordinates","260199","2020-12-29","22:15:02",""
"4518351","12.9834","0.0002","12.9834","0.0002","12.9834","0.0002","90","","90","","90","","2188.59","0.06","293","2","293","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- H2.59 La2.95 Li2.71 O12 Ta1.09 Zr0.91 -","- H2.82 La2.9469 Li2.685 O12 Ta1.0916 Zr0.908 -","- H22.56 La23.5752 Li21.48 O96 Ta8.7328 Zr7.264 -","8","0.166667","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","x-ray","0.71073","MoKα","","0.0152","0.015","","","0.0294","0.0295","","","","","","1.229","","","","has coordinates","260199","2020-12-29","22:15:02",""
"4518352","12.9536","0.0002","12.9536","0.0002","12.9536","0.0002","90","","90","","90","","2173.56","0.06","293","2","293","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- H1.74 La2.93 Li3.59 O12 Ta0.95 Zr1.05 -","- H2.64 La2.925 Li3.57 O12 Ta0.952 Zr1.048 -","- H21.12 La23.4 Li28.56 O96 Ta7.616 Zr8.384 -","8","0.166667","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","x-ray","0.71073","MoKα","","0.017","0.0163","","","0.0335","0.0337","","","","","","1.177","","","","has coordinates","260199","2020-12-29","22:15:02",""
"4518353","12.9839","0.0002","12.9839","0.0002","12.9839","0.0002","90","","90","","90","","2188.85","0.06","293","2","293","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- H2.47 La2.95 Li2.86 O12 Ta0.99 Zr1.01 -","- H3.12 La2.949 Li2.82 O12 Ta0.992 Zr1.008 -","- H24.96 La23.592 Li22.56 O96 Ta7.936 Zr8.064 -","8","0.166667","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","x-ray","0.71073","MoKα","","0.0163","0.0151","","","0.0339","0.0342","","","","","","1.077","","","","has coordinates","260199","2020-12-29","22:15:02",""
"4518354","12.8768","0.0002","12.8768","0.0002","12.8768","0.0002","90","","90","","90","","2135.13","0.06","293","2","293","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- La2.92 Li5.28 O12 Ta1.09 Zr0.91 -","- La2.919 Li5.25 O12 Ta1.09 Zr0.91 -","- La23.352 Li42 O96 Ta8.72 Zr7.28 -","8","0.0833333","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","x-ray","0.71073","MoKα","","0.0203","0.0195","","","0.038","0.0382","","","","","","1.492","","","","has coordinates","260200","2020-12-29","22:17:27",""
"4518355","12.8951","0.0005","12.8951","0.0005","12.8951","0.0005","90","","90","","90","","2144.24","0.14","293","2","293","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- H0.95 La2.95 Li4.33 O12 Ta1.09 Zr0.91 -","- H3.24 La2.952 Li4.32 O12 Ta1.088 Zr0.912 -","- H25.92 La23.616 Li34.56 O96 Ta8.704 Zr7.296 -","8","0.0833333","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","x-ray","0.71073","MoKα","","0.0224","0.0223","","","0.048","0.048","","","","","","1.446","","","","has coordinates","260200","2020-12-29","22:17:28",""
"4518356","12.8974","0.0009","12.8974","0.0009","12.8974","0.0009","90","","90","","90","","2145.4","0.3","293","2","293","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- H0.74 La2.95 Li4.54 O12 Ta1.12 Zr0.88 -","- H2.4 La2.955 Li4.56 O12 Ta1.12 Zr0.88 -","- H19.2 La23.64 Li36.48 O96 Ta8.96 Zr7.04 -","8","0.0833333","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","x-ray","0.71073","MoKα","","0.0203","0.02","","","0.0401","0.0401","","","","","","1.455","","","","has coordinates","260200","2020-12-29","22:17:28",""
"4518357","12.8757","0.0009","12.8757","0.0009","12.8757","0.0009","90","","90","","90","","2134.6","0.3","293","2","293","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- La2.89 Li5.34 O12 Ta0.94 Zr1.06 -","- La2.889 Li5.37 O12 Ta0.94 Zr1.06 -","- La23.112 Li42.96 O96 Ta7.52 Zr8.48 -","8","0.0833333","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","x-ray","0.71073","MoKα","","0.0164","0.0157","","","0.0297","0.0298","","","","","","1.389","","","","has coordinates","260200","2020-12-29","22:17:28",""
"4518358","12.9041","0.0002","12.9041","0.0002","12.9041","0.0002","90","","90","","90","","2148.74","0.06","293","2","293","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- H0.9 La2.91 Li4.44 O12 Ta0.94 Zr1.06 -","- H2.16 La2.907 Li4.446 O12 Ta0.964 Zr1.036 -","- H17.28 La23.256 Li35.568 O96 Ta7.712 Zr8.288 -","8","0.0833333","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","x-ray","0.71073","MoKα","","0.0182","0.0134","","","0.0243","0.0252","","","","","","1.307","","","","has coordinates","260200","2020-12-29","22:17:28",""
"4518359","12.8511","0.0002","12.8511","0.0002","12.8511","0.0002","90","","90","","90","","2122.37","0.06","2.5","0.5","2.5","0.5","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- La3 Li6.27 O12 Ta1.09 Zr0.91 -","- La3 Li6.072 O12 Ta1.12 Zr0.88 -","- La24 Li48.576 O96 Ta8.96 Zr7.04 -","8","0.0833333","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","MLZ SR9B (hot source)","0.793","neutron","","0.0396","0.0225","","","0.0341","0.0375","","","","","","0.975","","","","has coordinates","260201","2020-12-29","22:19:11",""
"4518360","12.8592","0.0002","12.8592","0.0002","12.8592","0.0002","90","","90","","90","","2126.38","0.06","200","1","200","1","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- La3 Li6.27 O12 Ta1.09 Zr0.91 -","- La2.961 Li6.072 O12 Ta1.102 Zr0.898 -","- La23.688 Li48.576 O96 Ta8.816 Zr7.184 -","8","0.0833333","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","MLZ SR9B (hot source)","0.793","neutron","","0.0657","0.0271","","","0.0328","0.0413","","","","","","0.974","","","","has coordinates","260201","2020-12-29","22:19:11",""
"4518361","12.8775","0.0002","12.8775","0.0002","12.8775","0.0002","90","","90","","90","","2135.48","0.06","300","1","300","1","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- La3 Li6.27 O12 Ta1.09 Zr0.91 -","- La3.003 Li6.0726 O12 Ta1.088 Zr0.912 -","- La24.024 Li48.5808 O96 Ta8.704 Zr7.296 -","8","0.0833333","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","MLZ SR9B (hot source)","0.793","neutron","","0.0642","0.0259","","","0.0282","0.0328","","","","","","1.01","","","","has coordinates","260201","2020-12-29","22:19:11",""
"4518362","12.9051","0.0002","12.9051","0.0002","12.9051","0.0002","90","","90","","90","","2149.24","0.06","400","2","400","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- La3 Li6.27 O12 Ta1.09 Zr0.91 -","- La2.982 Li6.0732 O12 Ta1.092 Zr0.908 -","- La23.856 Li48.5856 O96 Ta8.736 Zr7.264 -","8","0.0833333","","Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel","Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c16016","","MLZ SR9B (hot source)","0.793","neutron","","0.1174","0.0464","","","0.0479","0.0653","","","","","","1.352","","","","has coordinates","260201","2020-12-29","22:19:11",""
"4518363","20.0016","0.0005","18.5063","0.0005","18.5977","0.0005","90","","105.98","0.0018","90","","6618","0.3","150","","150","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29.5 H23 Cl F12 Fe N6 O P2 -","- C29.5 H23 Cl F12 Fe N6 O P2 -","- C236 H184 Cl8 F96 Fe8 N48 O8 P16 -","8","1","","Gonell, Sergio; Lloret-Fillol, Julio; Miller, Alexander J. M.","An Iron Pyridyl-Carbene Electrocatalyst for Low Overpotential CO2 Reduction to CO","ACS Catalysis","2020","","","615","626","10.1021/acscatal.0c03798","","","1.5418","CuKα","","0.0856","0.0627","","0.1588","0.1451","0.1583","","","","","","1.0209","","","","has coordinates","260202","2020-12-29","22:30:51",""
"4518364","13.7127","0.0002","17.4292","0.0003","16.0993","0.0002","90","","107.938","0.001","90","","3660.72","0.1","100","2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 Cl2 F12.43 Fe N7 P2 -","- C31 H27 Cl2 F12.43 Fe N7 P2 -","- C124 H108 Cl8 F49.72 Fe4 N28 P8 -","4","1","","Gonell, Sergio; Lloret-Fillol, Julio; Miller, Alexander J. M.","An Iron Pyridyl-Carbene Electrocatalyst for Low Overpotential CO2 Reduction to CO","ACS Catalysis","2020","","","615","626","10.1021/acscatal.0c03798","","","1.54178","CuKα","","0.086","0.0661","","","0.1543","0.1662","","","","","","1.028","","","","has coordinates,has disorder","260203","2020-12-29","22:31:38",""
"4518365","41.565","0.003","9.6815","0.0007","29.249","0.0019","90","","122.86","0.002","90","","9886.9","1.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49.5 H45 O0.5 S12 -","- C49.5 H45 O0.5 S12 -","- C396 H360 O4 S96 -","8","1","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","1.34138","GaKα","","0.0658","0.043","","","0.0965","0.1092","","","","","","1.023","","","","has coordinates,has disorder","260233","2020-12-30","22:16:57",""
"4518366","20.5548","0.0008","20.5548","0.0008","9.9189","0.0005","90","","90","","120","","3629.3","0.3","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C54 H54 S6 -","- C54 H54 S6 -","- C162 H162 S18 -","3","0.166667","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.0805","0.0481","","","0.0944","0.11","","","","","","1.057","","","","has coordinates","260234","2020-12-30","22:17:26",""
"4518367","12.7443","0.0004","17.3301","0.0005","19.1446","0.0006","80.41","0.001","89.301","0.001","69.794","0.001","3907.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H64 N6 O12 S6 -","- C92 H64 N6 O12 S6 -","- C184 H128 N12 O24 S12 -","2","1","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.1278","0.0704","","","0.165","0.2025","","","","","","1.039","","","","has coordinates,has disorder","260235","2020-12-30","22:17:50",""
"4518368","9.6434","0.0003","20.218","0.0009","22.2376","0.0009","90","","100.243","0.0011","90","","4266.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H42 O6 S6 -","- C48 H42 O6 S6 -","- C192 H168 O24 S24 -","4","1","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.0808","0.0487","","","0.09","0.1055","","","","","","1.033","","","","has coordinates","260236","2020-12-30","22:18:19",""
"4518369","20.5511","0.0006","20.5511","0.0006","9.9216","0.0004","90","","90","","120","","3629","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C54 H54 S6 -","- C54 H54 S6 -","- C162 H162 S18 -","3","0.166667","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.0846","0.0495","","","0.101","0.1196","","","","","","1.023","","","","has coordinates","260237","2020-12-30","22:18:43",""
"4518370","41.7872","0.0014","9.629","0.0002","29.3045","0.001","90","","123.299","0.0009","90","","9855.3","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 O0.5 S12 -","- C50 H46 O0.5 S12 -","- C400 H368 O4 S96 -","8","1","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.1177","0.0694","","","0.1646","0.1983","","","","","","1.02","","","","has coordinates,has disorder","260238","2020-12-30","22:19:13",""
"4518371","41.6731","0.0015","9.5991","0.0003","29.4126","0.0011","90","","123.292","0.001","90","","9834.8","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49.08 H43.62 N0.54 S12 -","- C49.086 H43.629 N0.543 S12 -","- C392.688 H349.032 N4.344 S96 -","8","1","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.1148","0.0547","","","0.1012","0.1295","","","","","","1.045","","","","has coordinates,has disorder","260239","2020-12-30","22:19:47",""
"4518372","41.4562","0.0013","9.6589","0.0003","29.1173","0.0011","90","","122.659","0.0011","90","","9815.8","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C97 H85 Cl3 S24 -","- C97 H85 Cl3 S24 -","- C388 H340 Cl12 S96 -","4","0.5","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.1107","0.0598","","","0.105","0.1287","","","","","","1.047","","","","has coordinates,has disorder","260240","2020-12-30","22:20:19",""
"4518373","9.686","0.002","26.229","0.004","15.738","0.003","90","","104.355","0.008","90","","3873.5","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 O2 S6 -","- C44 H34 O2 S6 -","- C176 H136 O8 S24 -","4","1","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.1584","0.0834","","","0.1907","0.2403","","","","","","1.029","","","","has coordinates","260241","2020-12-30","22:20:45",""
"4518374","20.4084","0.0017","20.4084","0.0017","9.0747","0.0009","90","","90","","120","","3273.3","0.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H42 O6 S6 -","- C48 H42 O6 S6 -","- C144 H126 O18 S18 -","3","0.166667","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.043","0.0361","","","0.0937","0.0996","","","","","","1.06","","","","has coordinates","260242","2020-12-30","22:21:10",""
"4518375","9.6819","0.0004","26.2628","0.0015","15.7609","0.0008","90","","104.385","0.002","90","","3881.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 O2 S6 -","- C44 H34 O2 S6 -","- C176 H136 O8 S24 -","4","1","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.171","0.0723","","","0.1287","0.1675","","","","","","1.022","","","","has coordinates","260243","2020-12-30","22:21:34",""
"4518376","20.5592","0.0006","20.5592","0.0006","9.9136","0.0003","90","","90","","120","","3628.9","0.19","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C54 H54 S6 -","- C54 H54 S6 -","- C162 H162 S18 -","3","0.166667","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.0883","0.0564","","","0.0978","0.112","","","","","","1.085","","","","has coordinates","260244","2020-12-30","22:22:00",""
"4518377","20.4163","0.0004","20.4163","0.0004","9.0788","0.0002","90","","90","","120","","3277.28","0.12","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H42 O6 S6 -","- C48 H42 O6 S6 -","- C144 H126 O18 S18 -","3","0.166667","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.0291","0.0283","","","0.0741","0.0747","","","","","","1.105","","","","has coordinates","260245","2020-12-30","22:22:25",""
"4518378","9.5642","0.0002","26.037","0.0005","15.5937","0.0003","90","","103.398","0.001","90","","3777.5","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 O2 S6 -","- C44 H34 O2 S6 -","- C176 H136 O8 S24 -","4","1","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.1111","0.0575","","","0.0998","0.122","","","","","","1.014","","","","has coordinates","260246","2020-12-30","22:22:57",""
"4518379","20.414","0.0006","20.414","0.0006","9.0652","0.0003","90","","90","","120","","3271.63","0.17","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H42 O6 S6 -","- C48 H42 O6 S6 -","- C144 H126 O18 S18 -","3","0.166667","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.0593","0.0411","","","0.0882","0.0973","","","","","","1.069","","","","has coordinates","260247","2020-12-30","22:23:21",""
"4518380","9.6415","0.0003","20.2244","0.0007","22.2455","0.0009","90","","100.25","0.0013","90","","4268.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H42 O6 S6 -","- C48 H42 O6 S6 -","- C192 H168 O24 S24 -","4","1","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.0991","0.0518","","","0.0906","0.112","","","","","","1.045","","","","has coordinates","260248","2020-12-30","22:23:46",""
"4518381","12.6744","0.0003","17.3428","0.0006","19.0852","0.0005","80.99","0.001","89.856","0.001","69.506","0.001","3874.9","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H48 N6 O12 S6 -","- C78 H48 N6 O12 S6 -","- C156 H96 N12 O24 S12 -","2","1","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.1294","0.0673","","","0.1294","0.1595","","","","","","1.012","","","","has coordinates","260249","2020-12-30","22:24:12",""
"4518382","7.0128","0.0016","14.53","0.003","9.644","0.002","90","","93.91","0.004","90","","980.4","0.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H3 Cu N11 O3 -","- C5 H3 Cu N11 O3 -","- C20 H12 Cu4 N44 O12 -","4","1","","Yang, Guoli; Li, Xi; Wang, Meng; Xia, Zhengqiang; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli; Lu, Jack Y.","Improved Detonation Performance Via Coordination Substitution: Synthesis and Characterization of Two New Green Energetic Coordination Polymers","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c18271","","","0.71073","MoKα","","0.0644","0.0464","","","0.1109","0.1209","","","","","","1.03","","","","has coordinates","260250","2020-12-30","22:24:34",""
"4518383","6.0214","0.0019","11.118","0.004","15.378","0.005","90","","99.74","0.007","90","","1014.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H3 Cu N10 O -","- C5 H3 Cu N10 O -","- C20 H12 Cu4 N40 O4 -","4","1","","Yang, Guoli; Li, Xi; Wang, Meng; Xia, Zhengqiang; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli; Lu, Jack Y.","Improved Detonation Performance Via Coordination Substitution: Synthesis and Characterization of Two New Green Energetic Coordination Polymers","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c18271","","","0.71073","MoKα","","0.1426","0.0831","","","0.1688","0.1846","","","","","","1.012","","","","has coordinates","260251","2020-12-30","22:24:58",""
"4518384","16.577","0.004","15.944","0.004","15.596","0.004","90","","99.187","0.007","90","","4069.2","1.8","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","Keinan182b (Ofer)","","","- C44 H54 Cl2 N O3 P Ru -","- C44 H54 Cl2 N O3 P Ru -","- C176 H216 Cl8 N4 O12 P4 Ru4 -","4","1","","Eivgi, Or; Vaisman, Anna; Lemcoff, N. Gabriel","Latent, Yet Highly Active Photoswitchable Olefin Metathesis Precatalysts Bearing Cyclic Alkyl Amino Carbene (CAAC)/Phosphite Ligands","ACS Catalysis","2020","","","703","709","10.1021/acscatal.0c04909","","","0.71073","MoKα","","0.1332","0.0723","","","0.1571","0.1896","","","","","","0.971","","","","has coordinates,has disorder","260296","2020-12-31","22:24:09",""
"4518385","12.6005","0.0015","18.784","0.002","21.757","0.002","90","","101.619","0.003","90","","5044.1","0.9","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Keinan168b (Ofer Reany)","","","- C59 H60 Cl2 N O3 P Ru -","- C59 H60 Cl2 N O3 P Ru -","- C236 H240 Cl8 N4 O12 P4 Ru4 -","4","1","","Eivgi, Or; Vaisman, Anna; Lemcoff, N. Gabriel","Latent, Yet Highly Active Photoswitchable Olefin Metathesis Precatalysts Bearing Cyclic Alkyl Amino Carbene (CAAC)/Phosphite Ligands","ACS Catalysis","2020","","","703","709","10.1021/acscatal.0c04909","","","0.71073","MoKα","","0.1967","0.0741","","","0.1111","0.1468","","","","","","0.962","","","","has coordinates","260297","2020-12-31","22:24:41",""
"4518386","4.559","0.003","18.958","0.005","13.781","0.003","90","","98.94","0.02","90","","1176.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 I6 N2 O2 Pb2 -","- C8 H18 I6 N2 O2 Pb2 -","- C16 H36 I12 N4 O4 Pb4 -","2","0.5","","Dučinskas, Algirdas; Kim, Gee Yeong; Moia, Davide; Senocrate, Alessandro; Wang, Ya-Ru; Hope, Michael A.; Mishra, Aditya; Kubicki, Dominik J.; Siczek, Miłosz; Bury, Wojciech; Schneeberger, Thomas; Emsley, Lyndon; Milić, Jovana V.; Maier, Joachim; Grätzel, Michael","Unravelling the Behavior of Dion‒Jacobson Layered Hybrid Perovskites in Humid Environments","ACS Energy Letters","2020","","","337","344","10.1021/acsenergylett.0c02344","","","0.71073","MoKα","","0.0145","0.0133","","","0.0295","0.0297","","","","","","1.175","","","","has coordinates","260298","2020-12-31","22:40:18",""
"4518387","4.534","0.004","6.307","0.006","10.575","0.009","102.06","0.03","101.1","0.03","95.6","0.03","287.2","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H14 I2 N2 -","- C8 H14 I2 N2 -","- C8 H14 I2 N2 -","1","0.5","","Dučinskas, Algirdas; Kim, Gee Yeong; Moia, Davide; Senocrate, Alessandro; Wang, Ya-Ru; Hope, Michael A.; Mishra, Aditya; Kubicki, Dominik J.; Siczek, Miłosz; Bury, Wojciech; Schneeberger, Thomas; Emsley, Lyndon; Milić, Jovana V.; Maier, Joachim; Grätzel, Michael","Unravelling the Behavior of Dion‒Jacobson Layered Hybrid Perovskites in Humid Environments","ACS Energy Letters","2020","","","337","344","10.1021/acsenergylett.0c02344","","","0.71073","MoKα","","0.0643","0.0619","","","0.158","0.1645","","","","","","1.118","","","","has coordinates","260300","2020-12-31","22:40:37",""
"4518388","23.5776","0.0009","45.6755","0.0017","25.9902","0.0009","90","","90","","90","","27989.3","1.8","107","2","106.99","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C240 H200 Cu23 P8 Se16 -","- C240 H200 Cu23 P8 Se16 -","- C960 H800 Cu92 P32 Se64 -","4","0.5","","Huang, Ren-Wu; Yin, Jun; Dong, Chunwei; Maity, Partha; Hedhili, Mohamed Nejib; Nematulloev, Saidkhodzha; Alamer, Badriah; Ghosh, Atanu; Mohammed, Omar F.; Bakr, Osman M.","[Cu23(PhSe)16(Ph3P)8(H)6]·BF4: Atomic-Level Insights into Cuboidal Polyhydrido Copper Nanoclusters and Their Quasi-simple Cubic Self-Assembly","ACS Materials Letters","2020","","","90","99","10.1021/acsmaterialslett.0c00513","","x-ray","1.54184","CuKα","","0.1362","0.1269","","","0.2741","0.279","","","","","","1.129","","","","has coordinates,has disorder","260301","2020-12-31","22:50:16",""
"4518389","18.3703","0.0004","8.78618","0.00017","27.0121","0.0005","90","","107.129","0.002","90","","4166.49","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H64 N4 O3 -","- C44 H64 N4 O3 -","- C176 H256 N16 O12 -","4","2","","Cheng, Qiuhong; Duan, Hongdong; Hao, Aiyou; Xing, Pengyao","Photoregulated ""Breathing"" Vesicle with Inversed Supramolecular Chirality.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c20211","","x-ray","1.54184","CuKα","","0.1092","0.0896","","","0.2769","0.2985","","","","","","1.048","","","","has coordinates","260343","2021-01-01","22:13:04",""
"4518396","38.361","0.003","15.8528","0.0012","17.6645","0.0012","90","","100.831","0.004","90","","10550.9","1.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C110 H172 N4 O6 Si2 Zn -","- C110 H172 N4 O6 Si2 Zn -","- C440 H688 N16 O24 Si8 Zn4 -","4","0.5","","Choi, Sunghan; Kim, Chul Hoon; Baeg, Jin-Ook; Son, Ho-Jin; Pac, Chyongjin; Kang, Sang Ook","Collisional Electron Transfer Route between Homogeneous Porphyrin Dye and Catalytic TiO2/Re(I) Particles for CO2 Reduction","ACS Applied Energy Materials","2020","3","12","11581","11596","10.1021/acsaem.0c01300","","","0.71073","MoKα","","0.1247","0.0767","","","0.1811","0.2268","","","","","","1.066","","","","has coordinates","260394","2021-01-03","18:58:08",""
"4518397","26.454","0.015","26.454","0.015","26.454","0.015","90","","90","","90","","18513","18","296","2","296","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C72 H112 Cu12 Mo11 O130 P V -","- C72 H84 Cu12 Mo11.0004 O130 P V0.9996 -","- C288 H336 Cu48 Mo44.0016 O520 P4 V3.9984 -","4","0.0208333","","Du, Ze-Yu; Yu, Yan-Zhao; Hong, Ya-Lin; Li, Ning-Fang; Han, Ye-Min; Cao, Jia-Peng; Sun, Qi; Mei, Hua; Xu, Yan","Polyoxometalate-Based Metal-Organic Frameworks with Unique High-Nuclearity Water Clusters.","ACS applied materials & interfaces","2020","12","51","57174","57181","10.1021/acsami.0c18970","","","0.71073","MoKα","","0.0865","0.0602","","","0.1635","0.184","","","","","","1.069","","","","has coordinates,has disorder","260395","2021-01-03","19:48:48",""
"4518398","26.3605","0.0013","26.3605","0.0013","26.3605","0.0013","90","","90","","90","","18317.3","1.6","296","2","296","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C72 H151 Cu12 Mo10 O149 P V2 -","- C72 H122 Cu12 Mo9.9996 O149 P V2.0004 -","- C288 H488.002 Cu48 Mo39.9984 O596 P4 V8.0016 -","4","0.0208333","","Du, Ze-Yu; Yu, Yan-Zhao; Hong, Ya-Lin; Li, Ning-Fang; Han, Ye-Min; Cao, Jia-Peng; Sun, Qi; Mei, Hua; Xu, Yan","Polyoxometalate-Based Metal-Organic Frameworks with Unique High-Nuclearity Water Clusters.","ACS applied materials & interfaces","2020","12","51","57174","57181","10.1021/acsami.0c18970","","","0.71073","MoKα","","0.0774","0.0609","","","0.1868","0.206","","","","","","1.145","","","","has coordinates,has disorder","260396","2021-01-03","19:49:42",""
"4518399","8.5133","0.0002","11.0899","0.0003","14.6365","0.0004","100.002","0.001","92.027","0.001","101.991","0.001","1327.49","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H28 N6 O8 -","- C27 H28 N6 O8 -","- C54 H56 N12 O16 -","2","1","","Dey, Ananta; Ramlal, Vishwakarma Ravikumar; Sankar, Selvasundarasekar Sam; Mahapatra, Tufan Singha; Suresh, Eringathodi; Kundu, Subrata; Mandal, Amal Kumar; Das, Amitava","Crystalline Free-Standing Two-Dimensional Zwitterionic Organic Nanosheets for Efficient Conduction of Lithium Ions.","ACS applied materials & interfaces","2020","12","52","58122","58131","10.1021/acsami.0c17683","","","0.71073","MoKα","","0.0658","0.0617","","","0.1715","0.176","","","","","","1.033","","","","has coordinates,has disorder","260397","2021-01-03","19:50:45",""
"7058957","24.542","0.014","7.437","0.004","27.588","0.012","90","","109.69","0.04","90","","4741","4","100","","100","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C29 H19 B F N3 O2 S2 -","- C29 H19 B F N3 O2 S2 -","- C232 H152 B8 F8 N24 O16 S16 -","8","1","","Kubo, Yuji; Shimada, Takuma; Maeda, Kentaro; Hashimoto, Yuta","Thieno[1,3,2]oxazaborinine-containing aza-BODIPYs with near infrared absorption bands: synthesis, photophysical properties, and device applications","New Journal of Chemistry","2020","44","1","29","37","10.1039/C9NJ04612G","","","0.71075","MoKα","","0.0795","0.0577","","","0.1099","0.1195","","","","","","1.087","","","","has coordinates","257692","2020-10-21","18:00:00",""
"7059058","11.511","0.005","12.353","0.005","22.155","0.005","78.665","0.005","75.648","0.005","68.751","0.005","2824.6","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C115 H138 Cl18 N12 Ru4 -","- C115 H80 Cl18 N12 Ru4 -","- C115 H80 Cl18 N12 Ru4 -","1","0.5","","Khan, Tanveer A.; Bhar, Kishalay; Thirumoorthi, Ramalingam; Roy, Tapta Kanchan; Sharma, Anuj K.","Design, synthesis, characterization and evaluation of the anticancer activity of water-soluble half-sandwich ruthenium(ii) arene halido complexes","New Journal of Chemistry","2020","44","1","239","257","10.1039/C9NJ03663F","","","0.71069","MoKα","","0.0778","0.0604","","","0.1814","0.2239","","","","","","1.144","","","","has coordinates,has disorder","257685","2020-10-21","18:00:00",""
"7059059","3.9752","0.0003","26.0148","0.0019","6.282","0.0005","90","","97.357","0.003","90","","644.3","0.09","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C9 H2 N5 -","- C9 H2 N5 -","- C18 H4 N10 -","2","0.5","","Nimax, Patrick R.; Zoller, Florian; Blockhaus, Tobias; Küblböck, Teresa; Fattakhova-Rohlfing, Dina; Sünkel, Karlheinz","An aminotetracyanocyclopentadienide system: light-induced formation of a thermally stable cyclopentadienyl radical","New Journal of Chemistry","2020","44","1","72","78","10.1039/C9NJ04354C","","","0.71073","MoKα","","0.0942","0.0826","","","0.2233","0.2319","","","","","","1.051","","","","has coordinates","257691","2020-10-21","18:00:00",""
"7059060","6.7736","0.0003","8.6454","0.0004","10.235","0.0004","67.666","0.001","72.808","0.002","83.739","0.002","529.63","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H6 N6 -","- C9 H6 N6 -","- C18 H12 N12 -","2","1","","Nimax, Patrick R.; Zoller, Florian; Blockhaus, Tobias; Küblböck, Teresa; Fattakhova-Rohlfing, Dina; Sünkel, Karlheinz","An aminotetracyanocyclopentadienide system: light-induced formation of a thermally stable cyclopentadienyl radical","New Journal of Chemistry","2020","44","1","72","78","10.1039/C9NJ04354C","","","0.71073","MoKα","","0.0685","0.0549","","","0.1354","0.1425","","","","","","1.019","","","","has coordinates","257691","2020-10-21","18:00:00",""
"7059065","14.586","0.0004","14.6224","0.0004","7.9425","0.0003","90","","90","","90","","1693.99","0.09","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H19 N3 Se -","- C18 H19 N3 Se -","- C72 H76 N12 Se4 -","4","1","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Highly active mesoionic chalcogenone zinc(ii) derivatives for C‒S cross-coupling reactions","New Journal of Chemistry","2020","44","1","129","140","10.1039/C9NJ04440J","","","0.71073","MoKα","","0.083","0.049","","","0.0693","0.0848","","","","","","1.0276","","","","has coordinates","257689","2020-10-21","18:00:00",""
"7059066","11.1018","0.0003","7.9784","0.0002","16.7114","0.0005","90","","92.665","0.003","90","","1478.6","0.07","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 Se -","- C16 H15 N3 Se -","- C64 H60 N12 Se4 -","4","1","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Highly active mesoionic chalcogenone zinc(ii) derivatives for C‒S cross-coupling reactions","New Journal of Chemistry","2020","44","1","129","140","10.1039/C9NJ04440J","","","1.54184","CuKα","","0.0763","0.0617","","","0.2073","0.2785","","","","","","1.1782","","","","has coordinates","257689","2020-10-21","18:00:00",""
"7059067","11.3268","0.0007","14.1364","0.0008","15.1166","0.0008","90","","105.48","0.006","90","","2332.7","0.2","293","2","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 Br2 N3 O S Zn -","- C19 H23 Br2 N3 O S Zn -","- C76 H92 Br8 N12 O4 S4 Zn4 -","4","1","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Highly active mesoionic chalcogenone zinc(ii) derivatives for C‒S cross-coupling reactions","New Journal of Chemistry","2020","44","1","129","140","10.1039/C9NJ04440J","","","0.71073","MoKα","","0.1345","0.0586","","","0.0912","0.1278","","","","","","0.9042","","","","has coordinates","257689","2020-10-21","18:00:00",""
"7059068","11.2044","0.0003","13.7372","0.0003","15.1908","0.0004","90","","104.509","0.003","90","","2263.56","0.1","293","2","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 Cl2 N3 O Se Zn -","- C19 H23 Cl2 N3 O Se Zn -","- C76 H92 Cl8 N12 O4 Se4 Zn4 -","4","1","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Highly active mesoionic chalcogenone zinc(ii) derivatives for C‒S cross-coupling reactions","New Journal of Chemistry","2020","44","1","129","140","10.1039/C9NJ04440J","","","0.71073","MoKα","","0.0839","0.0454","","","0.0742","0.0935","","","","","","1.0377","","","","has coordinates","257689","2020-10-21","18:00:00",""
"7059069","7.5364","0.0005","12.0785","0.0011","13.2048","0.0012","70.474","0.008","77.488","0.007","76.996","0.007","1090.66","0.17","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 Br4 N6 Se2 Zn2 -","- C38 H36 Br4 N6 Se2 Zn2 -","- C38 H36 Br4 N6 Se2 Zn2 -","1","0.5","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Highly active mesoionic chalcogenone zinc(ii) derivatives for C‒S cross-coupling reactions","New Journal of Chemistry","2020","44","1","129","140","10.1039/C9NJ04440J","","","0.71073","MoKα","","0.0836","0.0467","","","0.085","0.1039","","","","","","1.0106","","","","has coordinates","257689","2020-10-21","18:00:00",""
"7059070","5.5355","0.0003","11.3824","0.001","13.4351","0.001","107.316","0.007","94.243","0.006","99.6","0.006","789.92","0.11","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H13 Cl S -","- C20 H13 Cl S -","- C40 H26 Cl2 S2 -","2","1","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Highly active mesoionic chalcogenone zinc(ii) derivatives for C‒S cross-coupling reactions","New Journal of Chemistry","2020","44","1","129","140","10.1039/C9NJ04440J","","x-ray","1.54184","CuKα","","0.0445","0.037","","","0.1055","0.1133","","","","","","1.0425","","","","has coordinates","257689","2020-10-21","18:00:00",""
"7059071","15.913","0.0006","7.5636","0.0002","27.8228","0.0009","90","","90","","90","","3348.74","0.19","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N3 S -","- C18 H19 N3 S -","- C144 H152 N24 S8 -","8","1","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Highly active mesoionic chalcogenone zinc(ii) derivatives for C‒S cross-coupling reactions","New Journal of Chemistry","2020","44","1","129","140","10.1039/C9NJ04440J","","","0.71073","MoKα","","0.1003","0.0567","","","0.1242","0.1514","","","","","","1.0531","","","","has coordinates","257689","2020-10-21","18:00:00",""
"7059072","11.1565","0.0004","13.8114","0.0005","15.0162","0.0005","90","","104.487","0.003","90","","2240.23","0.14","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 Cl2 N3 O S Zn -","- C19 H23 Cl2 N3 O S Zn -","- C76 H92 Cl8 N12 O4 S4 Zn4 -","4","1","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Highly active mesoionic chalcogenone zinc(ii) derivatives for C‒S cross-coupling reactions","New Journal of Chemistry","2020","44","1","129","140","10.1039/C9NJ04440J","","","0.71073","MoKα","","0.0833","0.0468","","","0.0846","0.1062","","","","","","1.0452","","","","has coordinates","257689","2020-10-21","18:00:00",""
"7059073","10.0434","0.0003","13.9747","0.0004","15.7202","0.0005","90","","102.367","0.003","90","","2155.19","0.12","293","2","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Br4 N6 Se2 Zn2 -","- C36 H38 Br4 N6 Se2 Zn2 -","- C72 H76 Br8 N12 Se4 Zn4 -","2","0.5","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Highly active mesoionic chalcogenone zinc(ii) derivatives for C‒S cross-coupling reactions","New Journal of Chemistry","2020","44","1","129","140","10.1039/C9NJ04440J","","","0.71073","MoKα","","0.1067","0.0539","","","0.1071","0.1318","","","","","","1.0394","","","","has coordinates","257689","2020-10-21","18:00:00",""
"7059074","11.0135","0.001","13.7499","0.0012","13.7117","0.0012","90","","102.969","0.002","90","","2023.5","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl2 Co N3 O3 -","- C19 H19 Cl2 Co N3 O3 -","- C76 H76 Cl8 Co4 N12 O12 -","4","1","","I., Mantasha; Shahid, M.; Kumar, Manjeet; Ansari, Azaj; Akhtar, Muhammad Nadeem; AlDamen, Murad A.; Song, You; Ahmad, Musheer; Khan, Ishaat M.","Exploring solvent dependent catecholase activity in transition metal complexes: an experimental and theoretical approach","New Journal of Chemistry","2020","44","4","1371","1388","10.1039/C9NJ04374H","","","0.71073","MoKα","","0.0549","0.0371","","","0.0861","0.0952","","","","","","1.071","","","","has coordinates","257731","2020-10-21","18:00:00",""
"7059075","11.4021","0.0003","8.2603","0.0002","17.7971","0.0005","90","","90","","90","","1676.22","0.08","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H14 Co N4 O2 S2 -","- C14 H14 Co N4 O2 S2 -","- C56 H56 Co4 N16 O8 S8 -","4","0.5","","I., Mantasha; Shahid, M.; Kumar, Manjeet; Ansari, Azaj; Akhtar, Muhammad Nadeem; AlDamen, Murad A.; Song, You; Ahmad, Musheer; Khan, Ishaat M.","Exploring solvent dependent catecholase activity in transition metal complexes: an experimental and theoretical approach","New Journal of Chemistry","2020","44","4","1371","1388","10.1039/C9NJ04374H","","","0.71073","MoKα","","0.0314","0.0242","","","0.0579","0.0617","","","","","","1.041","","","","has coordinates","257731","2020-10-21","18:00:00",""
"7059076","14.0162","0.0006","8.1198","0.0004","14.9569","0.0007","90","","103.838","0.001","90","","1652.82","0.13","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C14 H14 N4 Ni O2 S2 -","- C14 H14 N4 Ni O2 S2 -","- C56 H56 N16 Ni4 O8 S8 -","4","1","","I., Mantasha; Shahid, M.; Kumar, Manjeet; Ansari, Azaj; Akhtar, Muhammad Nadeem; AlDamen, Murad A.; Song, You; Ahmad, Musheer; Khan, Ishaat M.","Exploring solvent dependent catecholase activity in transition metal complexes: an experimental and theoretical approach","New Journal of Chemistry","2020","44","4","1371","1388","10.1039/C9NJ04374H","","","0.71073","MoKα","","0.0362","0.0281","","","0.0574","0.0608","","","","","","1.118","","","","has coordinates","257731","2020-10-21","18:00:00",""
"7059077","11.345","0.003","13.87","0.004","12.108","0.003","90","","102.824","0.007","90","","1857.7","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cl2 Mn N3 O2 -","- C19 H17 Cl2 Mn N3 O2 -","- C76 H68 Cl8 Mn4 N12 O8 -","4","1","","I., Mantasha; Shahid, M.; Kumar, Manjeet; Ansari, Azaj; Akhtar, Muhammad Nadeem; AlDamen, Murad A.; Song, You; Ahmad, Musheer; Khan, Ishaat M.","Exploring solvent dependent catecholase activity in transition metal complexes: an experimental and theoretical approach","New Journal of Chemistry","2020","44","4","1371","1388","10.1039/C9NJ04374H","","","0.71073","MoKα","","0.0458","0.0324","","","0.0737","0.0796","","","","","","1.051","","","","has coordinates","257731","2020-10-21","18:00:00",""
"7059078","12.3289","0.0004","9.6117","0.0004","14.9979","0.0006","90","","97.083","0.003","90","","1763.71","0.12","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N3 O4 Zn -","- C20 H15 N3 O4 Zn -","- C80 H60 N12 O16 Zn4 -","4","1","","Podjed, Nina; Stare, Petra; Korošec, Romana Cerc; Alcaide, María M.; López-Serrano, Joaquín; Modec, Barbara","3-Amino-1-propanol and N-methylaminoethanol: coordination to zinc(ii) vs. decomposition to ammonia","New Journal of Chemistry","2020","44","2","387","400","10.1039/C9NJ05005A","","x-ray","0.71073","MoKα","","0.0453","0.0319","","","0.0699","0.0768","","","","","","1.054","","","","has coordinates","257748","2020-10-21","18:00:00",""
"7059079","15.8788","0.0011","7.6223","0.0006","18.3192","0.0011","90","","104.464","0.007","90","","2147","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N3 O6 Zn -","- C23 H23 N3 O6 Zn -","- C92 H92 N12 O24 Zn4 -","4","1","","Podjed, Nina; Stare, Petra; Korošec, Romana Cerc; Alcaide, María M.; López-Serrano, Joaquín; Modec, Barbara","3-Amino-1-propanol and N-methylaminoethanol: coordination to zinc(ii) vs. decomposition to ammonia","New Journal of Chemistry","2020","44","2","387","400","10.1039/C9NJ05005A","","x-ray","0.71073","MoKα","","0.1271","0.0583","","","0.1044","0.1323","","","","","","0.978","","","","has coordinates","257748","2020-10-21","18:00:00",""
"7059080","19.156","0.003","7.8984","0.0007","14.1312","0.0013","90","","108.031","0.012","90","","2033.1","0.4","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 N3 O5 Zn -","- C23 H21 N3 O5 Zn -","- C92 H84 N12 O20 Zn4 -","4","0.5","","Podjed, Nina; Stare, Petra; Korošec, Romana Cerc; Alcaide, María M.; López-Serrano, Joaquín; Modec, Barbara","3-Amino-1-propanol and N-methylaminoethanol: coordination to zinc(ii) vs. decomposition to ammonia","New Journal of Chemistry","2020","44","2","387","400","10.1039/C9NJ05005A","","x-ray","0.71073","MoKα","","0.0683","0.0444","","","0.0911","0.1051","","","","","","1.06","","","","has coordinates,has disorder","257748","2020-10-21","18:00:00",""
"7059081","7.8724","0.0002","11.3651","0.0005","14.9498","0.0005","68.924","0.004","84.619","0.003","71.212","0.004","1181.22","0.08","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 N4 O5 Zn -","- C25 H24 N4 O5 Zn -","- C50 H48 N8 O10 Zn2 -","2","1","","Podjed, Nina; Stare, Petra; Korošec, Romana Cerc; Alcaide, María M.; López-Serrano, Joaquín; Modec, Barbara","3-Amino-1-propanol and N-methylaminoethanol: coordination to zinc(ii) vs. decomposition to ammonia","New Journal of Chemistry","2020","44","2","387","400","10.1039/C9NJ05005A","","x-ray","0.71073","MoKα","","0.0513","0.0373","","","0.0811","0.0904","","","","","","1.058","","","","has coordinates","257748","2020-10-21","18:00:00",""
"7059082","7.9175","0.0005","11.4683","0.0006","15.3238","0.0009","71.09","0.005","85.805","0.005","70.921","0.005","1243.17","0.14","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 N3 O6 Zn -","- C26 H29 N3 O6 Zn -","- C52 H58 N6 O12 Zn2 -","2","1","","Podjed, Nina; Stare, Petra; Korošec, Romana Cerc; Alcaide, María M.; López-Serrano, Joaquín; Modec, Barbara","3-Amino-1-propanol and N-methylaminoethanol: coordination to zinc(ii) vs. decomposition to ammonia","New Journal of Chemistry","2020","44","2","387","400","10.1039/C9NJ05005A","","x-ray","1.54184","CuKα","","0.0319","0.0309","","","0.0811","0.0818","","","","","","1.063","","","","has coordinates","257748","2020-10-21","18:00:00",""
"7059083","7.8788","0.0005","11.2689","0.0006","15.3272","0.001","105.313","0.005","98.626","0.005","110.008","0.005","1189.14","0.14","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 N3 O6 Zn -","- C25 H27 N3 O6 Zn -","- C50 H54 N6 O12 Zn2 -","2","1","","Podjed, Nina; Stare, Petra; Korošec, Romana Cerc; Alcaide, María M.; López-Serrano, Joaquín; Modec, Barbara","3-Amino-1-propanol and N-methylaminoethanol: coordination to zinc(ii) vs. decomposition to ammonia","New Journal of Chemistry","2020","44","2","387","400","10.1039/C9NJ05005A","","x-ray","1.54184","CuKα","","0.0319","0.0307","","","0.0825","0.0836","","","","","","1.07","","","","has coordinates","257748","2020-10-21","18:00:00",""
"7059084","21.989","0.002","11.1499","0.0009","19.1729","0.0017","90","","114.252","0.005","90","","4285.9","0.7","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H9 Cd N2 O8 -","- C18 H9 Cd N2 O8 -","- C144 H72 Cd8 N16 O64 -","8","1","","Mondal, Tuhina; Haldar, Dhrubaa; Ghosh, Arnab; Ghorai, Uttam Kumar; Saha, Shyamal K.","A MOF functionalized with CdTe quantum dots as an efficient white light emitting phosphor material for applications in displays","New Journal of Chemistry","2020","44","1","55","63","10.1039/C9NJ04304G","","","0.71073","MoKα","","0.0875","0.0801","","","0.2015","0.2057","","","","","","0.971","","","","has coordinates,has disorder","257687","2020-10-21","18:00:00",""
"7059138","17.8355","0.0006","9.506","0.0003","20.6821","0.0007","90","","99.911","0.001","90","","3454.2","0.2","150","2","150.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H51 Lu N2 O2 Si2 -","- C31 H51 Lu N2 O2 Si2 -","- C124 H204 Lu4 N8 O8 Si8 -","4","1","","Li, Wenqiang; Jiang, Xinxin; So, Yat-Ming; He, Gaohong; Pan, Yu","Lutetium and yttrium complexes supported by an anilido-oxazoline ligand for polymerization of 1,3-conjugated dienes and ε-caprolactone","New Journal of Chemistry","2020","44","1","121","128","10.1039/C9NJ05081G","","","0.71073","MoKα","","0.0298","0.0239","","","0.055","0.0571","","","","","","1.034","","","","has coordinates,has disorder","257688","2020-10-21","18:00:00",""
"7059139","11.2601","0.0008","17.6609","0.0011","19.521","0.0013","90","","102.384","0.002","90","","3791.7","0.4","150","2","150.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H59 Lu N2 O2 Si2 -","- C35 H59 Lu N2 O2 Si2 -","- C140 H236 Lu4 N8 O8 Si8 -","4","1","","Li, Wenqiang; Jiang, Xinxin; So, Yat-Ming; He, Gaohong; Pan, Yu","Lutetium and yttrium complexes supported by an anilido-oxazoline ligand for polymerization of 1,3-conjugated dienes and ε-caprolactone","New Journal of Chemistry","2020","44","1","121","128","10.1039/C9NJ05081G","","","0.71073","MoKα","","0.0253","0.0216","","","0.0495","0.052","","","","","","1.101","","","","has coordinates,has disorder","257688","2020-10-21","18:00:00",""
"7059140","17.6314","0.0001","16.2484","0.0001","17.9278","0.0002","90","","90.926","0.001","90","","5135.32","0.07","130","0.2","130","0.2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C57 H46 B Cu F4 N4 O3 P2 S -","- C57 H46 B Cu F4 N4 O3 P2 S -","- C228 H184 B4 Cu4 F16 N16 O12 P8 S4 -","4","1","","Rozhkov, Anton V.; Eliseeva, Svetlana N.; Baykov, Sergey V.; Zelenkov, Lev E.; Goriachiy, Dmitry O.; Taydakov, Ilya V.","Copper(i) ionic complexes based on imidazo[4,5-f][1,10]phenanthrolin diimine chelating ligands: crystal structures, and photo- and electroluminescence properties","New Journal of Chemistry","2020","44","1","110","120","10.1039/C9NJ05109K","","x-ray","1.54184","CuKα","","0.0604","0.0567","","","0.1561","0.1594","","","","","","1.037","","","","has coordinates","257690","2020-10-21","18:00:00",""
"7059141","13.1619","0.0003","14.2651","0.0002","14.994","0.0003","100.11","0.001","103.415","0.002","111.011","0.002","2450.37","0.1","99.9","0.5","99.9","0.5","","","","","","","","9","P -1","-P 1","2","","","","- C55 H39 B Br Cu F4 N4 O2 P2 -","- C55 H39 B Br Cu F4 N4 O2 P2 -","- C110 H78 B2 Br2 Cu2 F8 N8 O4 P4 -","2","1","","Rozhkov, Anton V.; Eliseeva, Svetlana N.; Baykov, Sergey V.; Zelenkov, Lev E.; Goriachiy, Dmitry O.; Taydakov, Ilya V.","Copper(i) ionic complexes based on imidazo[4,5-f][1,10]phenanthrolin diimine chelating ligands: crystal structures, and photo- and electroluminescence properties","New Journal of Chemistry","2020","44","1","110","120","10.1039/C9NJ05109K","","x-ray","1.54184","CuKα","","0.0523","0.0455","","","0.1213","0.1255","","","","","","1.079","","","","has coordinates","257690","2020-10-21","18:00:00",""
"7059142","17.4377","0.0005","15.4971","0.0003","20.199","0.0005","90","","94.279","0.002","90","","5443.2","0.2","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C56 H41 B Cl3 Cu F4 N4 O2 P2 -","- C56 H41 B Cl3 Cu F4 N4 O2 P2 -","- C224 H164 B4 Cl12 Cu4 F16 N16 O8 P8 -","4","1","","Rozhkov, Anton V.; Eliseeva, Svetlana N.; Baykov, Sergey V.; Zelenkov, Lev E.; Goriachiy, Dmitry O.; Taydakov, Ilya V.","Copper(i) ionic complexes based on imidazo[4,5-f][1,10]phenanthrolin diimine chelating ligands: crystal structures, and photo- and electroluminescence properties","New Journal of Chemistry","2020","44","1","110","120","10.1039/C9NJ05109K","","","0.71073","MoKα","","0.0762","0.059","","","0.1456","0.1616","","","","","","1.028","","","","has coordinates","257690","2020-10-21","18:00:00",""
"7059143","12.39","0.003","13.824","0.003","7.927","0.0016","90","","105.47","0.03","90","","1308.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Br4 N2 Pb -","- C6 H10 Br4 N2 Pb -","- C24 H40 Br16 N8 Pb4 -","4","1","","Jung, Mi-Hee","Broadband white light emission from one-dimensional zigzag edge-sharing perovskite","New Journal of Chemistry","2020","44","1","171","180","10.1039/C9NJ04758A","","","0.7","synchrotron","","0.0975","0.0938","","","0.2789","0.2819","","","","","","1.293","","","","has coordinates","257686","2020-10-21","18:00:00",""
"7059144","13.428","0.003","7.661","0.0015","23.338","0.005","90","","90","","90","","2400.8","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H10 Cl4 N2 Pb -","- C6 H10 Cl4 N2 Pb -","- C48 H80 Cl32 N16 Pb8 -","8","1","","Jung, Mi-Hee","Broadband white light emission from one-dimensional zigzag edge-sharing perovskite","New Journal of Chemistry","2020","44","1","171","180","10.1039/C9NJ04758A","","","0.7","synchrotron","","0.0503","0.0495","","","0.1503","0.1508","","","","","","1.13","","","","has coordinates","257686","2020-10-21","18:00:00",""
"7059145","11.634","0.0011","16.2488","0.0015","14.2081","0.0013","90","","99.716","0.004","90","","2647.4","0.4","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 B2 Ir2 S6 -","- C20 H32 B2 Ir2 S6 -","- C80 H128 B8 Ir8 S24 -","4","1","","Joseph, Benson; Prakash, Rini; Pathak, Kriti; Roisnel, Thierry; Kahlal, Samia; Halet, Jean-François; Ghosh, Sundargopal","A combined experimental and theoretical study of bimetallic bis- and tris-homocubane analogues","New Journal of Chemistry","2020","44","3","674","683","10.1039/C9NJ05117A","","x-ray","0.71073","MoKα","","0.032","0.0261","","","0.0577","0.0603","","","","","","1.067","","","","has coordinates","257904","2020-10-21","18:00:00",""
"7059146","11.9187","0.0007","16.6296","0.0011","14.5809","0.001","90","","100.146","0.002","90","","2844.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 B2 Ir2 Se6 -","- C20 H30 B2 Ir2 Se6 -","- C80 H120 B8 Ir8 Se24 -","4","1","","Joseph, Benson; Prakash, Rini; Pathak, Kriti; Roisnel, Thierry; Kahlal, Samia; Halet, Jean-François; Ghosh, Sundargopal","A combined experimental and theoretical study of bimetallic bis- and tris-homocubane analogues","New Journal of Chemistry","2020","44","3","674","683","10.1039/C9NJ05117A","","","0.71073","MoKα","","0.0854","0.0634","","","0.157","0.1722","","","","","","1.068","","","","has coordinates","257904","2020-10-21","18:00:00",""
"7059147","11.9361","0.0004","16.3554","0.0006","13.9055","0.0005","90","","91.737","0.004","90","","2713.38","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H34 B2 Ir2 S6 -","- C20 H30 B2 Ir2 S6 -","- C80 H120 B8 Ir8 S24 -","4","1","","Joseph, Benson; Prakash, Rini; Pathak, Kriti; Roisnel, Thierry; Kahlal, Samia; Halet, Jean-François; Ghosh, Sundargopal","A combined experimental and theoretical study of bimetallic bis- and tris-homocubane analogues","New Journal of Chemistry","2020","44","3","674","683","10.1039/C9NJ05117A","","","0.71073","MoKα","","0.1147","0.0561","","","0.1343","0.1642","","","","","","1.043","","","","has coordinates,has disorder","257904","2020-10-21","18:00:00",""
"7059148","9.1581","0.0004","18.9842","0.0009","14.3431","0.0006","90","","90","","90","","2493.68","0.19","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H33 B1.83 Co2 S6.17 -","- C20 H31 B1.83 Co2 S6.172 -","- C80 H124 B7.32 Co8 S24.688 -","4","0.5","","Joseph, Benson; Prakash, Rini; Pathak, Kriti; Roisnel, Thierry; Kahlal, Samia; Halet, Jean-François; Ghosh, Sundargopal","A combined experimental and theoretical study of bimetallic bis- and tris-homocubane analogues","New Journal of Chemistry","2020","44","3","674","683","10.1039/C9NJ05117A","","","0.71073","MoKα","","0.0416","0.037","","","0.0896","0.0934","","","","","","1.086","","","","has coordinates,has disorder","257904","2020-10-21","18:00:00",""
"7059149","11.6036","0.0015","16.221","0.002","14.2437","0.0019","90","","99.797","0.005","90","","2641.9","0.6","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 B2 Rh2 S6 -","- C20 H32 B2 Rh2 S6 -","- C80 H128 B8 Rh8 S24 -","4","1","","Joseph, Benson; Prakash, Rini; Pathak, Kriti; Roisnel, Thierry; Kahlal, Samia; Halet, Jean-François; Ghosh, Sundargopal","A combined experimental and theoretical study of bimetallic bis- and tris-homocubane analogues","New Journal of Chemistry","2020","44","3","674","683","10.1039/C9NJ05117A","","x-ray","0.71073","MoKα","","0.0506","0.0428","","","0.0982","0.1031","","","","","","1.091","","","","has coordinates","257904","2020-10-21","18:00:00",""
"7059150","10.2132","0.0014","19.541","0.002","15.563","0.002","90","","96.078","0.006","90","","3088.5","0.7","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H39 B2 Rh2 Se7 -","- C23 H39 B2 Rh2 Se7 -","- C92 H156 B8 Rh8 Se28 -","4","1","","Joseph, Benson; Prakash, Rini; Pathak, Kriti; Roisnel, Thierry; Kahlal, Samia; Halet, Jean-François; Ghosh, Sundargopal","A combined experimental and theoretical study of bimetallic bis- and tris-homocubane analogues","New Journal of Chemistry","2020","44","3","674","683","10.1039/C9NJ05117A","","x-ray","0.71073","MoKα","","0.1506","0.1093","","","0.2871","0.3257","","","","","","1.05","","","","has coordinates","257904","2020-10-21","18:00:00",""
"7059151","18.7466","0.0013","18.7466","0.0013","8.339","0.0006","90","","90","","90","","2930.6","0.4","150","2","150","2","","","","","","","","6","P -4","P -4","81","","","","- C20.5 H33 B2 Cl Ir2 S7 -","- C20.5 H33 B2 Cl Ir2 S7 -","- C82 H132 B8 Cl4 Ir8 S28 -","4","1","","Joseph, Benson; Prakash, Rini; Pathak, Kriti; Roisnel, Thierry; Kahlal, Samia; Halet, Jean-François; Ghosh, Sundargopal","A combined experimental and theoretical study of bimetallic bis- and tris-homocubane analogues","New Journal of Chemistry","2020","44","3","674","683","10.1039/C9NJ05117A","","","0.71073","MoKα","","0.0743","0.0579","","","0.1344","0.145","","","","","","1.044","","","","has coordinates,has disorder","257904","2020-10-21","18:00:00",""
"7059152","9.857","0.003","8.174","0.002","17.195","0.005","90","","98.077","0.018","90","","1371.7","0.7","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H7 F3 N2 O2 -","- C15 H7 F3 N2 O2 -","- C60 H28 F12 N8 O8 -","4","1","","Günsel, Armağan; Bilgiçli, Ahmet T.; Tüzün, Burak; Pişkin, Hasan; Yarasir, M. Nilüfer; Gündüz, Bayram","Optoelectronic parameters of peripherally tetra-substituted copper(ii) phthalocyanines and fabrication of a photoconductive diode for various conditions","New Journal of Chemistry","2020","44","2","369","380","10.1039/C9NJ05287A","","","0.71073","MoKα","","0.1052","0.0535","","","0.1274","0.1608","","","","","","1.031","","","","has coordinates","257750","2020-10-21","18:00:00",""
"7059157","7.09549","0.00018","10.8347","0.0003","12.9313","0.0003","90","","89.883","0.002","90","","994.12","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Cs N9 O3 -","- C4 H6 Cs N9 O3 -","- C16 H24 Cs4 N36 O12 -","4","1","","Wang, Tingwei; Zhou, Jinyang; Zhang, Qi; Zhang, Lin; Zhu, Shunguan; Li, Yan","Novel 3D cesium(i)-based EMOFs of nitrogen-rich triazole derivatives as “green” orange-light pyrotechnics","New Journal of Chemistry","2020","44","4","1278","1284","10.1039/C9NJ03577J","","","0.71073","MoKα","","0.06","0.0336","","","0.0606","0.0693","","","","","","1.026","","","","has coordinates","257729","2020-10-21","18:00:00",""
"7059158","29.369","0.002","29.369","0.002","50.089","0.004","90","","90","","90","","43204","5","120","2","120","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","Trimer Trip","","- C232 H458 F6 N36 Na12 O217 S12 -","- C232 H224 F6 N36 O70 S12 -","- C928 H896 F24 N144 O280 S48 -","4","0.5","","Ndendjio, Sandra Zebaze; Liu, Wenjin; Yvanez, Nicolas; Meng, Zihui; Zavalij, Peter Y.; Isaacs, Lyle","Triptycene walled glycoluril trimer: synthesis and recognition properties","New Journal of Chemistry","2020","44","2","338","345","10.1039/C9NJ05336K","","","0.71073","MoKα","","0.099","0.0536","","","0.1044","0.1158","","","","","","1.286","","","","has coordinates,has disorder","257747","2020-10-21","18:00:00",""
"7059159","23.3546","0.0016","24.5506","0.0017","24.1341","0.0016","90","","105.843","0.0014","90","","13312.1","1.6","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C92 H118 Co2 Gd4 N10 Na2 O36 P6 -","- C92 H118 Co2 Gd4 N10 Na2 O36 P6 -","- C368 H472 Co8 Gd16 N40 Na8 O144 P24 -","4","1","","Doroshenko, Iaroslav; Buchholz, Axel; Domincova Bergerova, Eva; Plass, Winfried; Pinkas, Jiri","Heterometallic 3d‒4f {Co2Gd4} phosphonates: new members of the potential magnetic cooler family","New Journal of Chemistry","2020","44","2","513","521","10.1039/C9NJ05071J","","","0.71073","MoKα","","0.0954","0.0807","","","0.1989","0.2043","","","","","","1.053","","","","has coordinates,has disorder","257753","2020-10-21","18:00:00",""
"7059160","14.8697","0.001","15.9498","0.0011","30.095","0.003","100.792","0.003","96.032","0.003","105.193","0.002","6676.2","0.9","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C92 H112 Br6 Co2 Gd4 N10 Na2 O36 P6 -","- C92 H112 Br6 Co2 Gd4 N10 Na2 O36 P6 -","- C184 H224 Br12 Co4 Gd8 N20 Na4 O72 P12 -","2","1","","Doroshenko, Iaroslav; Buchholz, Axel; Domincova Bergerova, Eva; Plass, Winfried; Pinkas, Jiri","Heterometallic 3d‒4f {Co2Gd4} phosphonates: new members of the potential magnetic cooler family","New Journal of Chemistry","2020","44","2","513","521","10.1039/C9NJ05071J","","","0.71073","MoKα","","0.0414","0.0389","","","0.0985","0.0998","","","","","","1.045","","","","has coordinates","257753","2020-10-21","18:00:00",""
"7059161","15.3491","0.001","16.5332","0.0011","31.308","0.002","75.688","0.002","89.7027","0.0015","72.824","0.002","7335.3","0.8","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C110 H112 Co2 Gd4 N10 Na2 O35 P6 -","- C110 H112 Co2 Gd4 N10 Na2 O35 P6 -","- C220 H224 Co4 Gd8 N20 Na4 O70 P12 -","2","1","","Doroshenko, Iaroslav; Buchholz, Axel; Domincova Bergerova, Eva; Plass, Winfried; Pinkas, Jiri","Heterometallic 3d‒4f {Co2Gd4} phosphonates: new members of the potential magnetic cooler family","New Journal of Chemistry","2020","44","2","513","521","10.1039/C9NJ05071J","","","0.71073","MoKα","","0.0601","0.0524","","","0.1432","0.1489","","","","","","1.049","","","","has coordinates,has disorder","257753","2020-10-21","18:00:00",""
"7059162","20.0833","0.0016","30.421","0.002","21.9915","0.0018","90","","104.035","0.0015","90","","13034.7","1.7","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C107 H147 Cl4 Dy4 N30 O40 -","- C107 H125 Cl4 Dy4 N30 O40 -","- C428 H500 Cl16 Dy16 N120 O160 -","4","1","","Lu, Jingjing; Li, Xiao-Lei; Jin, Chaoyi; Yu, Yang; Tang, Jinkui","Dysprosium-based linear helicate clusters: syntheses, structures, and magnetism","New Journal of Chemistry","2020","44","3","994","1000","10.1039/C9NJ05192A","","","0.71073","MoKα","","0.0916","0.0617","","","0.1533","0.1762","","","","","","1.046","","","","has coordinates","257901","2020-10-21","18:00:00",""
"7059163","16.2426","0.0018","16.2562","0.0017","22.592","0.002","95.755","0.002","101.601","0.002","113.605","0.002","5244.7","0.9","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C138 H186 Dy10 N50 Na2 O82 -","- C138 H172 Dy10 N50 Na2 O82 -","- C138 H172 Dy10 N50 Na2 O82 -","1","0.5","","Lu, Jingjing; Li, Xiao-Lei; Jin, Chaoyi; Yu, Yang; Tang, Jinkui","Dysprosium-based linear helicate clusters: syntheses, structures, and magnetism","New Journal of Chemistry","2020","44","3","994","1000","10.1039/C9NJ05192A","","","0.71073","MoKα","","0.0949","0.0624","","","0.1716","0.2005","","","","","","1.033","","","","has coordinates","257901","2020-10-21","18:00:00",""
"7059164","16.7394","0.0008","25.7371","0.0012","32.8927","0.0016","90","","101.805","0.0009","90","","13871.2","1.1","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C126 H144 Dy6 N18 O48 -","- C125 H135 Dy6 N18 O48 -","- C500 H540 Dy24 N72 O192 -","4","1","","Lu, Jingjing; Li, Xiao-Lei; Jin, Chaoyi; Yu, Yang; Tang, Jinkui","Dysprosium-based linear helicate clusters: syntheses, structures, and magnetism","New Journal of Chemistry","2020","44","3","994","1000","10.1039/C9NJ05192A","","","0.71073","MoKα","","0.06","0.0416","","","0.1003","0.1129","","","","","","1.037","","","","has coordinates","257901","2020-10-21","18:00:00",""
"7059165","9.6743","0.0019","10.044","0.002","20.289","0.004","79.47","0.03","76.24","0.03","64.55","0.03","1721.8","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H68 Br6 N10 Ni3 P2 -","- C62 H68 Br6 N10 Ni3 P2 -","- C62 H68 Br6 N10 Ni3 P2 -","1","0.5","","Zubkevich, S. V.; Tuskaev, V. A.; Gagieva, S. Ch.; Pavlov, A. A.; Khrustalev, V. N.; Polyakova, O. V.; Zarubin, D. N.; Kurmaev, D. A.; Kolosov, N. A.; Bulychev, B. M.","Catalytic systems based on nickel(ii) complexes with bis(3,5-dimethylpyrazol-1-yl)methane ‒ impact of PPh3 on the formation of precatalysts and selective dimerization of ethylene","New Journal of Chemistry","2020","44","3","981","993","10.1039/C9NJ05704H","","","0.9699","synchrotron","","0.141","0.1139","","","0.2548","0.2933","","","","","","0.808","","","","has coordinates","257902","2020-10-21","18:00:00",""
"7059166","14.695","0.003","10.158","0.002","35.371","0.007","90","","91.65","0.03","90","","5277.7","1.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H59 Br4 N8 Ni2 O1.5 P -","- C46 H59 Br4 N8 Ni2 O1.5 P -","- C184 H236 Br16 N32 Ni8 O6 P4 -","4","1","","Zubkevich, S. V.; Tuskaev, V. A.; Gagieva, S. Ch.; Pavlov, A. A.; Khrustalev, V. N.; Polyakova, O. V.; Zarubin, D. N.; Kurmaev, D. A.; Kolosov, N. A.; Bulychev, B. M.","Catalytic systems based on nickel(ii) complexes with bis(3,5-dimethylpyrazol-1-yl)methane ‒ impact of PPh3 on the formation of precatalysts and selective dimerization of ethylene","New Journal of Chemistry","2020","44","3","981","993","10.1039/C9NJ05704H","","","0.80246","synchrotron","","0.1097","0.0766","","","0.1746","0.1971","","","","","","1.02","","","","has coordinates","257902","2020-10-21","18:00:00",""
"7059167","12.6956","0.0011","38.111","0.003","13.6534","0.0012","90","","97.351","0.002","90","","6551.8","1","298.15","","298.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C65 H50 B F24 Ni O3 P -","- C65 H50 B F24 Ni O3 P -","- C260 H200 B4 F96 Ni4 O12 P4 -","4","2","","Behzadi, Shabnam; Chi, Mingjun; Pang, Wenmin; Liang, Tao; Tan, Chen","Camphor-based phosphine-carbonyl ligands for Ni catalyzed ethylene oligomerization","New Journal of Chemistry","2020","44","3","1076","1081","10.1039/C9NJ05408A","","","0.71073","MoKα","","0.1957","0.0775","","","0.1486","0.1862","","","","","","0.987","","","","has coordinates,has disorder","257903","2020-10-21","18:00:00",""
"7059168","13.4601","0.0005","14.6763","0.0005","28.7051","0.0009","90","","90","","90","","5670.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Fujita255-2","","","- C25.5 H28 Br2 N O12.5 -","- C25.5 H28 Br2 N O12.5 -","- C204 H224 Br16 N8 O100 -","8","2","","Fujita, Hikaru; Dou, Jinghuai; Matsumoto, Nobuyuki; Wu, Zhiyuan; Lindsey, Jonathan S.","Enzymatically triggered chromogenic cross-linking agents under physiological conditions","New Journal of Chemistry","2020","44","3","719","743","10.1039/C9NJ04126E","","","0.71073","MoKα","","0.038","0.0297","","","0.0604","0.0627","","","","","","1.024","","","","has coordinates","257899","2020-10-21","18:00:00",""
"7059169","13.3401","0.0008","14.3756","0.0009","28.9203","0.0019","90","","90","","90","","5546.1","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Fujita255-3","","","- C26 H30 Br N O12.5 -","- C26 H30 Br N O12.5 -","- C208 H240 Br8 N8 O100 -","8","2","","Fujita, Hikaru; Dou, Jinghuai; Matsumoto, Nobuyuki; Wu, Zhiyuan; Lindsey, Jonathan S.","Enzymatically triggered chromogenic cross-linking agents under physiological conditions","New Journal of Chemistry","2020","44","3","719","743","10.1039/C9NJ04126E","","","0.71073","MoKα","","0.0423","0.0324","","","0.0684","0.0712","","","","","","1.029","","","","has coordinates,has disorder","257899","2020-10-21","18:00:00",""
"7059170","17.2424","0.0011","10.3111","0.0007","16.5976","0.0011","90","","97.57","0.002","90","","2925.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","S156","","","- C26 H35 Co N9 Na O5 -","- C26 H35 Co N9 Na O5 -","- C104 H140 Co4 N36 Na4 O20 -","4","1","","Roy, Sourav; Halder, Soumi; Dey, Arka; Harms, Klaus; Ray, Partha Pratim; Chattopadhyay, Shouvik","Representation of a photosensitive Schottky barrier diode made with hetero-dinuclear cobalt(iii)/sodium building blocks","New Journal of Chemistry","2020","44","4","1285","1293","10.1039/C9NJ04542B","","","0.71073","MoKα","","0.0278","0.0256","","","0.0658","0.0672","","","","","","1.052","","","","has coordinates","257726","2020-10-21","18:00:00",""
"7059171","12.4913","0.0005","13.6943","0.0005","17.6253","0.0007","74.404","0.002","83.684","0.002","67.309","0.002","2679.13","0.19","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C62 H46 Cl3 N3 O P2 Ru S -","- C62 H46 Cl3 N3 O P2 Ru S -","- C124 H92 Cl6 N6 O2 P4 Ru2 S2 -","2","1","","Dinda, Soumitra; Patra, Sarat Chandra; Roy, Subhadip; Halder, Supriyo; Weyhermüller, Thomas; Pramanik, Kausikisankar; Ganguly, Sanjib","Coligand driven diverse organometallation in benzothiazolyl-hydrazone derivatized pyrene: ortho vs. peri C‒H activation","New Journal of Chemistry","2020","44","4","1407","1417","10.1039/C9NJ05088D","","","0.71073","MoKα","","0.0531","0.0398","","","0.1012","0.1098","","","","","","1.028","","","","has coordinates,has disorder","257730","2020-10-21","18:00:00",""
"7059172","9.8421","0.0007","11.9671","0.0008","24.6276","0.0018","77.378","0.003","78.715","0.003","66.813","0.003","2582.4","0.3","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C62.5 H46 Cl3 N3 O P2 Ru S -","- C62.5 H46 Cl3 N3 O P2 Ru S -","- C125 H92 Cl6 N6 O2 P4 Ru2 S2 -","2","1","","Dinda, Soumitra; Patra, Sarat Chandra; Roy, Subhadip; Halder, Supriyo; Weyhermüller, Thomas; Pramanik, Kausikisankar; Ganguly, Sanjib","Coligand driven diverse organometallation in benzothiazolyl-hydrazone derivatized pyrene: ortho vs. peri C‒H activation","New Journal of Chemistry","2020","44","4","1407","1417","10.1039/C9NJ05088D","","","0.71073","MoKα","","0.1291","0.0817","","","0.1502","0.1766","","","","","","1.062","","","","has coordinates,has disorder","257730","2020-10-21","18:00:00",""
"7059173","10.6241","0.0005","13.8517","0.0008","17.2984","0.0008","96.501","0.004","104.809","0.004","96.619","0.004","2417.6","0.2","150.91","","150.91","","","","","","","","","7","P -1","-P 1","2","","","","- C61 H45 N3 O P2 Ru S -","- C61 H45 N3 O P2 Ru S -","- C122 H90 N6 O2 P4 Ru2 S2 -","2","1","","Dinda, Soumitra; Patra, Sarat Chandra; Roy, Subhadip; Halder, Supriyo; Weyhermüller, Thomas; Pramanik, Kausikisankar; Ganguly, Sanjib","Coligand driven diverse organometallation in benzothiazolyl-hydrazone derivatized pyrene: ortho vs. peri C‒H activation","New Journal of Chemistry","2020","44","4","1407","1417","10.1039/C9NJ05088D","","x-ray","0.71073","MoKα","","0.0794","0.06","","","0.1417","0.1555","","","","","","1.021","","","","has coordinates","257730","2020-10-21","18:00:00",""
"7059174","9.6836","0.0012","12.2483","0.0015","21.905","0.003","86.801","0.003","86.645","0.003","67.402","0.003","2393","0.5","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H43 N3 O P2 Ru S -","- C61 H43 N3 O P2 Ru S -","- C122 H86 N6 O2 P4 Ru2 S2 -","2","1","","Dinda, Soumitra; Patra, Sarat Chandra; Roy, Subhadip; Halder, Supriyo; Weyhermüller, Thomas; Pramanik, Kausikisankar; Ganguly, Sanjib","Coligand driven diverse organometallation in benzothiazolyl-hydrazone derivatized pyrene: ortho vs. peri C‒H activation","New Journal of Chemistry","2020","44","4","1407","1417","10.1039/C9NJ05088D","","","0.71073","MoKα","","0.1249","0.0958","","","0.213","0.2278","","","","","","1.131","","","","has coordinates,has disorder","257730","2020-10-21","18:00:00",""
"7059175","11.2036","0.0009","23.844","0.0019","37.483","0.003","90","","90","","90","","10013.2","1.4","273","2","273.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H45 Cl2 N3 O P2 Ru S -","- C59 H43 N3 O P2 Ru S -","- C472 H344 N24 O8 P16 Ru8 S8 -","8","1","","Dinda, Soumitra; Patra, Sarat Chandra; Roy, Subhadip; Halder, Supriyo; Weyhermüller, Thomas; Pramanik, Kausikisankar; Ganguly, Sanjib","Coligand driven diverse organometallation in benzothiazolyl-hydrazone derivatized pyrene: ortho vs. peri C‒H activation","New Journal of Chemistry","2020","44","4","1407","1417","10.1039/C9NJ05088D","","","0.71073","MoKα","","0.0938","0.0447","","","0.0978","0.1318","","","","","","1.117","","","","has coordinates,has disorder","257730","2020-10-21","18:00:00",""
"7059176","5.1066","0.0012","11.5568","0.0013","12.7664","0.0013","100.531","0.009","94.646","0.014","100.547","0.015","723.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 F3 N2 O2 -","- C15 H17 F3 N2 O2 -","- C30 H34 F6 N4 O4 -","2","1","","Il’in, Mikhail V.; Lesnikova, Liana A.; Bolotin, Dmitrii S.; Novikov, Alexander S.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","A one-pot route to N-acyl ureas: a formal four-component hydrolytic reaction involving aminonitrones and isocyanide dibromides","New Journal of Chemistry","2020","44","4","1253","1262","10.1039/C9NJ05445F","","","0.71073","MoKα","","0.0619","0.0464","","","0.1157","0.1328","","","","","","1.064","","","","has coordinates","257728","2020-10-21","18:00:00",""
"7059177","5.3129","0.0005","9.3886","0.0007","12.8335","0.0008","86.747","0.005","88.785","0.007","75.123","0.008","617.67","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C30 H28 N4 O4 -","2","1","","Il’in, Mikhail V.; Lesnikova, Liana A.; Bolotin, Dmitrii S.; Novikov, Alexander S.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","A one-pot route to N-acyl ureas: a formal four-component hydrolytic reaction involving aminonitrones and isocyanide dibromides","New Journal of Chemistry","2020","44","4","1253","1262","10.1039/C9NJ05445F","","","0.71073","MoKα","","0.058","0.0419","","","0.0923","0.1036","","","","","","1.027","","","","has coordinates","257728","2020-10-21","18:00:00",""
"7059178","19.5549","0.0014","4.5007","0.0002","19.9119","0.0009","90","","119.005","0.0014","90","","1532.66","0.15","120","2","120","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C5 H6 I3 Pb1.3 S4 -","- C4 H6 I3 Pb1.3 S4 -","- C16 H24 I12 Pb5.2 S16 -","4","0.5","","Yin, Wen-Yu; Weng, Yi-Gang; Jiang, Miao; Yu, Shuai-Kang; Zhu, Qin-Yu; Dai, Jie","(TMT‒TTF)[Pb2.6/3□0.4/3I2]3: a TTF-intercalated two-dimensional hybrid lead iodide: crystal structure and properties","New Journal of Chemistry","2020","44","4","1263","1268","10.1039/C9NJ04316K","","","0.71073","MoKα","","0.0436","0.0305","","","0.0544","0.0575","","","","","","1.08","","","","has coordinates,has disorder","257732","2020-10-21","18:00:00",""
"7059179","22.8941","0.0017","11.221","0.0007","16.7025","0.0011","90","","127.37","0.003","90","","3410","0.4","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 N3 O8 Zn2 -","- C11 H5 N3 O8 Zn2 -","- C88 H40 N24 O64 Zn16 -","8","1","","Saha, Debraj; Gayen, Saikat; Maity, Tanmoy; Frontera, Antonio; Ortega-Castro, Joaquín; Leus, Karen; Wang, Guangbo; Van Der Voort, Pascal; Brandão, Paula; Koner, Subratanath","Combined experimental and computational studies on preferential CO2 adsorption over a zinc-based porous framework solid","New Journal of Chemistry","2020","44","5","1806","1816","10.1039/C9NJ04154K","","","0.71073","MoKα","","0.0895","0.0632","","","0.1849","0.1962","","","","","","1.08","","","","has coordinates","257710","2020-10-21","18:00:00",""
"7059180","17.807","0.0007","22.4931","0.001","17.8019","0.0008","90","","94.419","0.001","90","","7109.1","0.5","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H66 Gd2 N4 O16 -","- C78 H66 Gd2 N4 O16 -","- C312 H264 Gd8 N16 O64 -","4","0.5","","Zhang, Wei; Xu, Shao-Min; Zhu, Zhao-Xia; Ru, Jing; Zhang, Yi-Quan; Yao, Min-Xia","Strong intramolecular DyIII‒DyIII magnetic couplings up to 15.00 cm−1 in phenoxyl-bridged dinuclear 4f complexes","New Journal of Chemistry","2020","44","5","2083","2090","10.1039/C9NJ05971G","","","0.71073","MoKα","","0.072","0.0408","","","0.0943","0.1072","","","","","","1.054","","","","has coordinates,has disorder","257709","2020-10-21","18:00:00",""
"7059181","17.842","0.0014","22.805","0.0017","17.8611","0.0015","90","","95.19","0.003","90","","7237.7","1","278","2","278","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H66 Cl0 Dy2 N4 O16 -","- C78 H66 Dy2 N4 O16 -","- C312 H264 Dy8 N16 O64 -","4","0.5","","Zhang, Wei; Xu, Shao-Min; Zhu, Zhao-Xia; Ru, Jing; Zhang, Yi-Quan; Yao, Min-Xia","Strong intramolecular DyIII‒DyIII magnetic couplings up to 15.00 cm−1 in phenoxyl-bridged dinuclear 4f complexes","New Journal of Chemistry","2020","44","5","2083","2090","10.1039/C9NJ05971G","","","0.71073","MoKα","","0.1225","0.0643","","","0.1222","0.1439","","","","","","1.079","","","","has coordinates","257709","2020-10-21","18:00:00",""
"7059182","17.8664","0.0014","22.8472","0.0014","17.8442","0.0012","90","","95.066","0.002","90","","7255.5","0.9","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H66 N4 O16 Tb2 -","- C78 H66 N4 O16 Tb2 -","- C312 H264 N16 O64 Tb8 -","4","0.5","","Zhang, Wei; Xu, Shao-Min; Zhu, Zhao-Xia; Ru, Jing; Zhang, Yi-Quan; Yao, Min-Xia","Strong intramolecular DyIII‒DyIII magnetic couplings up to 15.00 cm−1 in phenoxyl-bridged dinuclear 4f complexes","New Journal of Chemistry","2020","44","5","2083","2090","10.1039/C9NJ05971G","","","0.71073","MoKα","","0.0988","0.0502","","","0.1134","0.1267","","","","","","1.007","","","","has coordinates","257709","2020-10-21","18:00:00",""
"7059183","17.9272","0.0005","13.9769","0.0004","43.7984","0.0008","90","","90","","90","","10974.4","0.5","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H28 N2 O2 S -","- C35 H28 N2 O2 S -","- C560 H448 N32 O32 S16 -","16","2","","Andrés Castán, José María; Abad Galán, Laura; Li, Shi; Dalinot, Clément; Simón Marqués, Pablo; Allain, Magali; Risko, Chad; Monnereau, Cyrille; Maury, Olivier; Blanchard, Philippe; Cabanetos, Clément","Nitration of benzothioxanthene: towards a new class of dyes with versatile photophysical properties","New Journal of Chemistry","2020","44","3","900","905","10.1039/C9NJ05804D","","","1.54184","CuKα","","0.0945","0.0578","","","0.139","0.1627","","","","","","1.023","","","","has coordinates","257905","2020-10-21","18:00:00",""
"7059184","13.4104","0.0006","13.4995","0.0006","14.4145","0.0007","90","","102.687","0.002","90","","2545.8","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Cl2 Mn N4 O2 P2 -","- C20 H30 Cl2 Mn N4 O2 P2 -","- C80 H120 Cl8 Mn4 N16 O8 P8 -","4","0.5","","Bortoluzzi, Marco; Castro, Jesús; Gobbo, Alberto; Ferraro, Valentina; Pietrobon, Luca; Antoniutti, Stefano","Tetrahedral photoluminescent manganese(ii) halide complexes with 1,3-dimethyl-2-phenyl-1,3-diazaphospholidine-2-oxide as a ligand","New Journal of Chemistry","2020","44","2","571","579","10.1039/C9NJ05083C","","","0.71073","MoKα","","0.0377","0.0281","","","0.0694","0.0733","","","","","","1.033","","","","has coordinates","257751","2020-10-21","18:00:00",""
"7059185","13.4668","0.0006","13.7458","0.0006","14.4342","0.0006","90","","101.192","0.002","90","","2621.1","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Br2 Mn N4 O2 P2 -","- C20 H30 Br2 Mn N4 O2 P2 -","- C80 H120 Br8 Mn4 N16 O8 P8 -","4","0.5","","Bortoluzzi, Marco; Castro, Jesús; Gobbo, Alberto; Ferraro, Valentina; Pietrobon, Luca; Antoniutti, Stefano","Tetrahedral photoluminescent manganese(ii) halide complexes with 1,3-dimethyl-2-phenyl-1,3-diazaphospholidine-2-oxide as a ligand","New Journal of Chemistry","2020","44","2","571","579","10.1039/C9NJ05083C","","","0.71073","MoKα","","0.0304","0.0235","","","0.051","0.0531","","","","","","1.047","","","","has coordinates","257751","2020-10-21","18:00:00",""
"7059186","5.25","0.006","15.787","0.019","20.19","0.02","90","","90","","90","","1673","3","200","2","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H16 O S -","- C25 H16 O S -","- C100 H64 O4 S4 -","4","1","","Melville, Owen A.; Grant, Trevor M.; Rice, Nicole A.; Wang, Bowen; Josse, Pierre; Lessard, Benoît H.","Functionalization of commercial pigment Hostasol Red GG for incorporation into organic thin-film transistors","New Journal of Chemistry","2020","44","3","845","851","10.1039/C9NJ04851K","","","0.71073","MoKα","","0.1696","0.0807","","","0.1747","0.237","","","","","","1.03","","","","has coordinates","257906","2020-10-21","18:00:00",""
"7059187","5.2279","0.001","19.702","0.004","18.914","0.004","90","","96.686","0.006","90","","1934.9","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 O S -","- C27 H20 O S -","- C108 H80 O4 S4 -","4","1","","Melville, Owen A.; Grant, Trevor M.; Rice, Nicole A.; Wang, Bowen; Josse, Pierre; Lessard, Benoît H.","Functionalization of commercial pigment Hostasol Red GG for incorporation into organic thin-film transistors","New Journal of Chemistry","2020","44","3","845","851","10.1039/C9NJ04851K","","","0.71073","MoKα","","0.2334","0.0608","","","0.0794","0.1075","","","","","","0.814","","","","has coordinates","257906","2020-10-21","18:00:00",""
"7059188","8.901","0.002","9.67","0.002","11.362","0.003","66.024","0.007","85.75","0.008","82.761","0.007","886.2","0.4","200","2","200","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 O S -","- C26 H18 O S -","- C52 H36 O2 S2 -","2","1","","Melville, Owen A.; Grant, Trevor M.; Rice, Nicole A.; Wang, Bowen; Josse, Pierre; Lessard, Benoît H.","Functionalization of commercial pigment Hostasol Red GG for incorporation into organic thin-film transistors","New Journal of Chemistry","2020","44","3","845","851","10.1039/C9NJ04851K","","","0.71073","MoKα","","0.2805","0.0824","","","0.1561","0.2332","","","","","","0.931","","","","has coordinates","257906","2020-10-21","18:00:00",""
"7059189","8.3364","0.0003","8.9922","0.0002","9.0984","0.0001","82.895","0.002","73.539","0.002","84.883","0.002","648.01","0.03","160","0.1","160","0.1","","","","","","","chemical","6","P -1","-P 1","2","A2-OMe","A2-OMe and DIB","","- C26 H18 F4 I2 N4 O4 -","- C26 H18 F4 I2 N4 O4 -","- C26 H18 F4 I2 N4 O4 -","1","0.5","","Huang, Yaodong; Zhang, Xiaojie; Cui, Wei; Wang, Xin; Li, Bin; Zhang, Yongxin; Yang, Junjiao","Novel liquid crystalline organogelators based on terephthalic acid and terephthalaldehyde derivatives: properties and promotion through the formation of halogen bonding","New Journal of Chemistry","2020","44","2","614","625","10.1039/C9NJ05811G","","x-ray","1.54184","CuKα","","0.0281","0.0248","","","0.0629","0.0637","","","","","","1.064","","","","has coordinates","257752","2020-10-21","18:00:00",""
"7059190","12.558","0.002","13.064","0.002","15.875","0.003","90","","102.849","0.003","90","","2539.2","0.7","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 F4 Ir N6 -","- C28 H19 F4 Ir N6 -","- C112 H76 F16 Ir4 N24 -","4","1","","Lu, Jun-Jian; Liang, Xiao; Luo, Xu-Feng; Wu, Zheng-Guang; Zheng, You-Xuan","Efficient blue, green and red iridium(iii) complexes with noncovalently-linked pyrazole/pyrazolide rings for organic light-emitting diodes","New Journal of Chemistry","2020","44","2","530","536","10.1039/C9NJ05218F","","","0.71073","MoKα","","0.0606","0.0347","","","0.0621","0.0706","","","","","","0.976","","","","has coordinates,has disorder","257749","2020-10-21","18:00:00",""
"7059191","5.7924","0.0004","13.4728","0.0013","17.3811","0.0018","82.781","0.008","85.788","0.007","89.002","0.007","1342","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Azilsartan-Piperazine-ethanol","'2-Ethoxy-1-[[2??-(4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylic acid?\/c2-ethoxy-3-((2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl)Methyl)-3H-benzozimidazole-4-carboxylic acid:Piperazine:ethanol(1:0.5:1) '","","- C29 H31 N5 O6 -","- C29 H31 N5 O6 -","- C58 H62 N10 O12 -","2","1","","Xu, Juan; Du, Rongkai; Wu, Lvying; Zhang, Xianrui; Guan, Su; Zhang, Lei; Ning, Lifeng; Li, Shan","Azilsartan piperazine salt solvate and monohydrate: preparation, crystal structure, enhanced solubility and oral bioavailability","New Journal of Chemistry","2020","44","3","852","860","10.1039/C9NJ05042F","","","0.71073","MoKα","","0.0958","0.057","","","0.1404","0.1672","","","","","","1.029","","","","has coordinates","257900","2020-10-21","18:00:00",""
"7059192","11.3028","0.0014","14.3949","0.0018","16.962","0.002","90","","97.634","0.002","90","","2735.3","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Azilsartan-Piperazine-water","'2-Ethoxy-1-[[2??-(4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylic acid?\/c2-ethoxy-3-((2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl)Methyl)-3H-benzozimidazole-4-carboxylic acid:Piperazine:water(1:1:1) '","","- C29 H32 N6 O6 -","- C29 H32 N6 O6 -","- C116 H128 N24 O24 -","4","1","","Xu, Juan; Du, Rongkai; Wu, Lvying; Zhang, Xianrui; Guan, Su; Zhang, Lei; Ning, Lifeng; Li, Shan","Azilsartan piperazine salt solvate and monohydrate: preparation, crystal structure, enhanced solubility and oral bioavailability","New Journal of Chemistry","2020","44","3","852","860","10.1039/C9NJ05042F","","","0.71073","MoKα","","0.1253","0.0637","","","0.1648","0.2017","","","","","","1.025","","","","has coordinates","257900","2020-10-21","18:00:00",""
"7059193","5.7804","0.0004","13.3882","0.001","17.3847","0.0012","82.75","0.006","85.718","0.005","88.04","0.006","1330.49","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Azilsartan-Piperazine-methanol","'2-Ethoxy-1-[[2??-(4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylic acid?\/c2-ethoxy-3-((2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl)Methyl)-3H-benzozimidazole-4-carboxylic acid:Piperazine:methanol(1:0.5:1) '","","- C28 H29 N5 O6 -","- C28 H29 N5 O6 -","- C56 H58 N10 O12 -","2","1","","Xu, Juan; Du, Rongkai; Wu, Lvying; Zhang, Xianrui; Guan, Su; Zhang, Lei; Ning, Lifeng; Li, Shan","Azilsartan piperazine salt solvate and monohydrate: preparation, crystal structure, enhanced solubility and oral bioavailability","New Journal of Chemistry","2020","44","3","852","860","10.1039/C9NJ05042F","","","0.71073","MoKα","","0.0706","0.0506","","","0.1325","0.1481","","","","","","1.044","","","","has coordinates","257900","2020-10-21","18:00:00",""
"7059194","8.5508","0.0007","20.552","0.0017","20.7183","0.0018","67.182","0.008","82.78","0.007","78.538","0.007","3284.3","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C86 H55 N6 O5 -","- C86 H55 N6 O5 -","- C172 H110 N12 O10 -","2","1","","Kathirvelan, Devarajan; Mayakrishnan, Sivakalai; Uma Maheswari, Narayanan; Biswas, Chinmoy; Raavi, Sai Santosh Kumar; Panda, Tarun K.","A simple D‒π‒A system of phenanthroimidazole-π-fluorenone for highly efficient non-doped bipolar AIE luminogens: synthesis, and molecular optical, thermal and electrochemical properties","New Journal of Chemistry","2020","44","5","1785","1794","10.1039/C9NJ05226G","","x-ray","0.71073","MoKα","","0.2669","0.0988","","","0.2211","0.3292","","","","","","1.0537","","","","has coordinates","257712","2020-10-21","18:00:00",""
"7059195","7.4612","0.0009","11.906","0.0014","11.1849","0.0013","90","","99.077","0.007","90","","981.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N2 O4 V -","- C9 H9 N2 O4 V -","- C36 H36 N8 O16 V4 -","4","1","","Borah, Rakhimoni; Deori, Naranarayan; Brahma, Sanfaori","An efficient CO2 fixation reaction with epoxides catalysed by in situ formed blue vanadium catalyst from dioxovanadium(+5) complex: moisture enhanced and atmospheric oxygen retarded catalytic activity","New Journal of Chemistry","2020","44","6","2547","2554","10.1039/C9NJ04606B","","","0.71073","MoKα","","0.0406","0.0364","","","0.1051","0.1088","","","","","","1.086","","","","has coordinates","257761","2020-10-21","18:00:00",""
"7059196","7.351","0.0004","11.8967","0.0007","11.1856","0.0006","90","","99.047","0.002","90","","966.04","0.09","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N2 O4 V -","- C9 H9 N2 O4 V -","- C36 H36 N8 O16 V4 -","4","1","","Borah, Rakhimoni; Deori, Naranarayan; Brahma, Sanfaori","An efficient CO2 fixation reaction with epoxides catalysed by in situ formed blue vanadium catalyst from dioxovanadium(+5) complex: moisture enhanced and atmospheric oxygen retarded catalytic activity","New Journal of Chemistry","2020","44","6","2547","2554","10.1039/C9NJ04606B","","","0.71073","MoKα","","0.0568","0.0449","","","0.0956","0.1039","","","","","","1.116","","","","has coordinates","257761","2020-10-21","18:00:00",""
"7059197","21.475","0.005","6.751","0.005","25.546","0.005","90","","111.423","0.005","90","","3448","3","120","0.1","120","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H19 Cu2 N4 O9.5 -","- C13 H19 Cu2 N4 O9.5 -","- C104 H152 Cu16 N32 O76 -","8","1","","Simões, Tatiana R. G.; do Pim, Walace D.; Metz, Karina C.; Ribeiro, Marcos A.; Valente, Daniel C. A.; Cardozo, Thiago M.; Pinheiro, Carlos B.; Pedroso, Emerson F.; Horta, Bruno A. C.; Pereira, Cynthia L. M.; de Souza, Gilmar P.; Stumpf, Humberto O.","Dinuclear copper(ii) complexes containing oxamate and blocking ligands: crystal structure, magnetic properties, and DFT calculations","New Journal of Chemistry","2020","44","6","2597","2608","10.1039/C9NJ05584C","","","1.5418","CuKα","","0.0471","0.0379","","","0.0917","0.0987","","","","","","1.082","","","","has coordinates","257757","2020-10-21","18:00:00",""
"7059198","6.9426","0.0005","10.4944","0.0007","11.9846","0.0008","76.242","0.005","88.366","0.006","73.715","0.006","813.42","0.1","270.05","0.1","270.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Cu2 N4 O8 -","- C13 H18 Cu2 N4 O8 -","- C26 H36 Cu4 N8 O16 -","2","1","","Simões, Tatiana R. G.; do Pim, Walace D.; Metz, Karina C.; Ribeiro, Marcos A.; Valente, Daniel C. A.; Cardozo, Thiago M.; Pinheiro, Carlos B.; Pedroso, Emerson F.; Horta, Bruno A. C.; Pereira, Cynthia L. M.; de Souza, Gilmar P.; Stumpf, Humberto O.","Dinuclear copper(ii) complexes containing oxamate and blocking ligands: crystal structure, magnetic properties, and DFT calculations","New Journal of Chemistry","2020","44","6","2597","2608","10.1039/C9NJ05584C","","","0.71073","MoKα","","0.0523","0.0362","","","0.0761","0.0866","","","","","","1.053","","","","has coordinates","257757","2020-10-21","18:00:00",""
"7059199","6.6746","0.0001","17.3302","0.0002","16.495","0.0002","90","","92.198","0.001","90","","1906.61","0.04","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 Cu2 N4 O11 -","- C12 H22 Cu2 N4 O11 -","- C48 H88 Cu8 N16 O44 -","4","1","","Simões, Tatiana R. G.; do Pim, Walace D.; Metz, Karina C.; Ribeiro, Marcos A.; Valente, Daniel C. A.; Cardozo, Thiago M.; Pinheiro, Carlos B.; Pedroso, Emerson F.; Horta, Bruno A. C.; Pereira, Cynthia L. M.; de Souza, Gilmar P.; Stumpf, Humberto O.","Dinuclear copper(ii) complexes containing oxamate and blocking ligands: crystal structure, magnetic properties, and DFT calculations","New Journal of Chemistry","2020","44","6","2597","2608","10.1039/C9NJ05584C","","x-ray","0.71073","MoKα","","0.0216","0.0186","","","0.0542","0.0548","","","","","","1.077","","","","has coordinates","257757","2020-10-21","18:00:00",""
"7059200","10.0981","0.0009","14.1193","0.0012","14.3189","0.0012","103.946","0.002","93.838","0.001","102.07","0.002","1922.7","0.3","298","2","298","2","","","","","","","","8","P -1","-P 1","2","complex1","","","- C38 H30 Cl F3 Mn2 N4 O10 Se -","- C38 H30 Cl F3 Mn2 N4 O10 Se -","- C76 H60 Cl2 F6 Mn4 N8 O20 Se2 -","2","1","","Zhang, Shao-Liang; Li, Shan-Shan; Zeng, Su-Yuan; Shi, Yang; Wang, Da-Qi; Chen, Lei","Slow magnetic relaxation in O‒Se‒O bridged manganese(iii) Schiff base complexes","New Journal of Chemistry","2020","44","6","2408","2413","10.1039/C9NJ05837K","","","0.71073","MoKα","","0.0638","0.0413","","","0.1129","0.1257","","","","","","0.799","","","","has coordinates,has disorder","257754","2020-10-21","18:00:00",""
"7059201","12.3806","0.0011","15.725","0.0013","25.915","0.002","90","","98.002","0.002","90","","4996.1","0.7","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","complex2","","","- C51 H38 F6 Mn2 N4 O10 Se2 -","- C51 H38 F6 Mn2 N4 O10 Se2 -","- C204 H152 F24 Mn8 N16 O40 Se8 -","4","1","","Zhang, Shao-Liang; Li, Shan-Shan; Zeng, Su-Yuan; Shi, Yang; Wang, Da-Qi; Chen, Lei","Slow magnetic relaxation in O‒Se‒O bridged manganese(iii) Schiff base complexes","New Journal of Chemistry","2020","44","6","2408","2413","10.1039/C9NJ05837K","","","0.71073","MoKα","","0.1746","0.0892","","","0.2136","0.2411","","","","","","0.979","","","","has coordinates","257754","2020-10-21","18:00:00",""
"7059202","15.089","0.0014","16.3063","0.0015","19.797","0.0018","87.765","0.003","72.711","0.002","85.128","0.003","4633.6","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H55 Dy3 N12 O41 Zn3 -","- C48 H55 Dy3 N12 O41 Zn3 -","- C96 H110 Dy6 N24 O82 Zn6 -","2","1","","Fan, Xiao-Tian; Yang, Hua; Li, Da-Cheng; Tian, Hai-Quan; Cao, Fan; Dou, Jian-Min","Three new heterometallic ZnII‒LnIII complexes with a windmill-like framework and field-induced SMM behavior","New Journal of Chemistry","2020","44","6","2555","2560","10.1039/C9NJ05796J","","","0.71073","MoKα","","0.1768","0.0688","","","0.1789","0.2243","","","","","","0.684","","","","has coordinates","257758","2020-10-21","18:00:00",""
"7059203","15.0276","0.0013","16.2205","0.0014","19.6624","0.0017","87.72","0.002","72.575","0.001","85.635","0.002","4558.9","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H55 N12 O41 Tb3 Zn3 -","- C48 H55 N12 O41 Tb3 Zn3 -","- C96 H110 N24 O82 Tb6 Zn6 -","2","1","","Fan, Xiao-Tian; Yang, Hua; Li, Da-Cheng; Tian, Hai-Quan; Cao, Fan; Dou, Jian-Min","Three new heterometallic ZnII‒LnIII complexes with a windmill-like framework and field-induced SMM behavior","New Journal of Chemistry","2020","44","6","2555","2560","10.1039/C9NJ05796J","","","0.71073","MoKα","","0.0557","0.0372","","","0.1156","0.1418","","","","","","0.533","","","","has coordinates","257758","2020-10-21","18:00:00",""
"7059204","14.9778","0.0012","16.24","0.0014","19.6798","0.0017","87.674","0.002","72.89","0.001","85.783","0.002","4561.8","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H55 Er3 N12 O41 Zn3 -","- C48 H55 Er3 N12 O41 Zn3 -","- C96 H110 Er6 N24 O82 Zn6 -","2","1","","Fan, Xiao-Tian; Yang, Hua; Li, Da-Cheng; Tian, Hai-Quan; Cao, Fan; Dou, Jian-Min","Three new heterometallic ZnII‒LnIII complexes with a windmill-like framework and field-induced SMM behavior","New Journal of Chemistry","2020","44","6","2555","2560","10.1039/C9NJ05796J","","","0.71073","MoKα","","0.0576","0.0361","","","0.1105","0.1388","","","","","","0.511","","","","has coordinates","257758","2020-10-21","18:00:00",""
"7059205","10.6315","0.0008","9.9746","0.0005","16.8984","0.0013","90","","90.076","0.006","90","","1792","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl2 Co N4 -","- C16 H20 Cl2 Co N4 -","- C64 H80 Cl8 Co4 N16 -","4","1","","Chkirate, Karim; Karrouchi, Khalid; Dege, Necmi; Kheira Sebbar, Nada; Ejjoummany, Abdelaziz; Radi, Smaail; Adarsh, N. N.; Talbaoui, Ahmed; Ferbinteanu, Marilena; Essassi, El Mokhtar; Garcia, Yann","Co(ii) and Zn(ii) pyrazolyl-benzimidazole complexes with remarkable antibacterial activity","New Journal of Chemistry","2020","44","6","2210","2221","10.1039/C9NJ05913J","","","0.71073","MoKα","","0.0889","0.0397","","","0.0712","0.0808","","","","","","0.874","","","","has coordinates","257763","2020-10-21","18:00:00",""
"7059206","21.6975","0.0012","8.4668","0.0003","40.556","0.002","90","","102.999","0.004","90","","7259.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cl2 N4 Zn -","- C16 H20 Cl2 N4 Zn -","- C256 H320 Cl32 N64 Zn16 -","16","2","","Chkirate, Karim; Karrouchi, Khalid; Dege, Necmi; Kheira Sebbar, Nada; Ejjoummany, Abdelaziz; Radi, Smaail; Adarsh, N. N.; Talbaoui, Ahmed; Ferbinteanu, Marilena; Essassi, El Mokhtar; Garcia, Yann","Co(ii) and Zn(ii) pyrazolyl-benzimidazole complexes with remarkable antibacterial activity","New Journal of Chemistry","2020","44","6","2210","2221","10.1039/C9NJ05913J","","","0.71073","MoKα","","0.0773","0.0454","","","0.1072","0.1187","","","","","","0.895","","","","has coordinates","257763","2020-10-21","18:00:00",""
"7059207","8.797","0.0015","11.744","0.002","19.603","0.004","77.18","0.005","82.835","0.006","74.748","0.005","1900.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H42 Cl4 Co2 N8 O -","- C32 H42 Cl4 Co2 N8 O -","- C64 H84 Cl8 Co4 N16 O2 -","2","1","","Chkirate, Karim; Karrouchi, Khalid; Dege, Necmi; Kheira Sebbar, Nada; Ejjoummany, Abdelaziz; Radi, Smaail; Adarsh, N. N.; Talbaoui, Ahmed; Ferbinteanu, Marilena; Essassi, El Mokhtar; Garcia, Yann","Co(ii) and Zn(ii) pyrazolyl-benzimidazole complexes with remarkable antibacterial activity","New Journal of Chemistry","2020","44","6","2210","2221","10.1039/C9NJ05913J","","","0.71075","MoKα","","0.2007","0.123","","","0.2922","0.3389","","","","","","1.051","","","","has coordinates","257763","2020-10-21","18:00:00",""
"7059208","9.0672","0.0004","13.1124","0.0007","14.5279","0.0007","92.323","0.004","106.84","0.004","110.178","0.005","1532.65","0.15","293.52","0.1","293.52","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 N10 O8 -","- C26 H34 N10 O8 -","- C52 H68 N20 O16 -","2","1","","Shu, Xi; Fan, Yu; Li, Shoujian; Jin, Yongdong; Xia, Chuanqin; Huang, Chao","Anion binding and fluoride ion induced conformational changes in bisurea receptors","New Journal of Chemistry","2020","44","5","2033","2045","10.1039/C9NJ05785D","","x-ray","1.54184","CuKα","","0.092","0.0835","","","0.2038","0.2226","","","","","","1.05","","","","has coordinates","257708","2020-10-21","18:00:00",""
"7059209","12.271","0.0003","17.4802","0.0004","19.5368","0.0004","90","","107.634","0.003","90","","3993.72","0.17","296.31","0.1","296.31","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H53 F N6 O4 -","- C37 H53 F N6 O4 -","- C148 H212 F4 N24 O16 -","4","1","","Shu, Xi; Fan, Yu; Li, Shoujian; Jin, Yongdong; Xia, Chuanqin; Huang, Chao","Anion binding and fluoride ion induced conformational changes in bisurea receptors","New Journal of Chemistry","2020","44","5","2033","2045","10.1039/C9NJ05785D","","x-ray","1.54184","CuKα","","0.0778","0.0641","","","0.1865","0.2042","","","","","","1.025","","","","has coordinates","257708","2020-10-21","18:00:00",""
"7059210","16.8164","0.0006","12.1616","0.0004","9.6474","0.0003","90","","98.674","0.003","90","","1950.46","0.11","295.39","0.1","295.39","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 N4 O4 -","- C18 H26 N4 O4 -","- C72 H104 N16 O16 -","4","0.5","","Shu, Xi; Fan, Yu; Li, Shoujian; Jin, Yongdong; Xia, Chuanqin; Huang, Chao","Anion binding and fluoride ion induced conformational changes in bisurea receptors","New Journal of Chemistry","2020","44","5","2033","2045","10.1039/C9NJ05785D","","x-ray","1.54184","CuKα","","0.0804","0.0766","","","0.1746","0.181","","","","","","1.111","","","","has coordinates","257708","2020-10-21","18:00:00",""
"7059211","7.933","0.0003","21.6567","0.0007","9.2173","0.0003","90","","105.934","0.004","90","","1522.71","0.1","294.33","0.1","294.33","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N5 O5 -","- C13 H19 N5 O5 -","- C52 H76 N20 O20 -","4","1","","Shu, Xi; Fan, Yu; Li, Shoujian; Jin, Yongdong; Xia, Chuanqin; Huang, Chao","Anion binding and fluoride ion induced conformational changes in bisurea receptors","New Journal of Chemistry","2020","44","5","2033","2045","10.1039/C9NJ05785D","","x-ray","1.54184","CuKα","","0.0565","0.0529","","","0.1369","0.1405","","","","","","1.069","","","","has coordinates","257708","2020-10-21","18:00:00",""
"7059212","10.0589","0.0009","12.81","0.0009","15.9508","0.0013","77.077","0.007","87.942","0.007","78.291","0.007","1961.5","0.3","295","0.3","295","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C42 H34 N10 O8 -","- C42 H34 N10 O8 -","- C84 H68 N20 O16 -","2","1","","Shu, Xi; Fan, Yu; Li, Shoujian; Jin, Yongdong; Xia, Chuanqin; Huang, Chao","Anion binding and fluoride ion induced conformational changes in bisurea receptors","New Journal of Chemistry","2020","44","5","2033","2045","10.1039/C9NJ05785D","","x-ray","1.54184","CuKα","","0.123","0.0797","","","0.1853","0.2301","","","","","","1.031","","","","has coordinates","257708","2020-10-21","18:00:00",""
"7059213","8.1166","0.0011","9.7387","0.0012","11.3513","0.0012","70.89","0.01","69.248","0.011","77.97","0.011","788.47","0.18","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 O6 -","- C20 H14 O6 -","- C40 H28 O12 -","2","1","","Asthana, Sharad Kumar; Pandey, Abha; Kumar, Ajit; Upadhyay, K. K.","An incisive optical recognition of monohydrogen phosphate by a fluorescein-based chemodosimeter","New Journal of Chemistry","2020","44","6","2201","2205","10.1039/C9NJ03023A","","","0.71073","MoKα","","0.1228","0.0622","","","0.1392","0.1807","","","","","","1.028","","","","has coordinates","257759","2020-10-21","18:00:00",""
"7059214","13.547","0.003","13.789","0.003","19.612","0.004","80.69","0.03","83.18","0.03","68.42","0.03","3354.8","1.4","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H68 Dy2 N2 O13 -","- C80 H68 Dy2 N2 O13 -","- C160 H136 Dy4 N4 O26 -","2","1","","Chen, Huan-Huan; Wu, Dong-Fang; Duan, Yao-Yao; Li, Ling; Wang, Yun-Juan; Zhang, Xue-Mei; Cui, Jian-Zhong; Gao, Hong-Ling","The near-infrared luminescence and magnetism of dinuclear complexes with different local symmetries constructed from a β-diketonate co-ligand and bis-Schiff base ligand","New Journal of Chemistry","2020","44","6","2561","2570","10.1039/C9NJ05571A","","","0.71073","MoKα","","0.057","0.0407","","","0.079","0.0857","","","","","","1.013","","","","has coordinates,has disorder","257755","2020-10-21","18:00:00",""
"7059215","13.546","0.003","13.841","0.003","19.646","0.004","80.79","0.03","83.1","0.03","67.97","0.03","3363.2","1.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H68 N2 O13 Y2 -","- C80 H68 N2 O13 Y2 -","- C160 H136 N4 O26 Y4 -","2","1","","Chen, Huan-Huan; Wu, Dong-Fang; Duan, Yao-Yao; Li, Ling; Wang, Yun-Juan; Zhang, Xue-Mei; Cui, Jian-Zhong; Gao, Hong-Ling","The near-infrared luminescence and magnetism of dinuclear complexes with different local symmetries constructed from a β-diketonate co-ligand and bis-Schiff base ligand","New Journal of Chemistry","2020","44","6","2561","2570","10.1039/C9NJ05571A","","","0.71073","MoKα","","0.0707","0.0505","","","0.1041","0.1259","","","","","","1.091","","","","has coordinates","257755","2020-10-21","18:00:00",""
"7059216","13.528","0.003","13.842","0.003","19.619","0.004","80.83","0.03","83.21","0.03","68.06","0.03","3357.2","1.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H68 Ho2 N2 O13 -","- C80 H68 Ho2 N2 O13 -","- C160 H136 Ho4 N4 O26 -","2","1","","Chen, Huan-Huan; Wu, Dong-Fang; Duan, Yao-Yao; Li, Ling; Wang, Yun-Juan; Zhang, Xue-Mei; Cui, Jian-Zhong; Gao, Hong-Ling","The near-infrared luminescence and magnetism of dinuclear complexes with different local symmetries constructed from a β-diketonate co-ligand and bis-Schiff base ligand","New Journal of Chemistry","2020","44","6","2561","2570","10.1039/C9NJ05571A","","","0.71073","MoKα","","0.0542","0.0441","","","0.0933","0.0993","","","","","","1.086","","","","has coordinates","257755","2020-10-21","18:00:00",""
"7059217","13.568","0.003","13.924","0.003","19.669","0.004","81.13","0.03","82.97","0.03","67.3","0.03","3379","1.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H68 N2 O13 Yb2 -","- C80 H68 N2 O13 Yb2 -","- C160 H136 N4 O26 Yb4 -","2","1","","Chen, Huan-Huan; Wu, Dong-Fang; Duan, Yao-Yao; Li, Ling; Wang, Yun-Juan; Zhang, Xue-Mei; Cui, Jian-Zhong; Gao, Hong-Ling","The near-infrared luminescence and magnetism of dinuclear complexes with different local symmetries constructed from a β-diketonate co-ligand and bis-Schiff base ligand","New Journal of Chemistry","2020","44","6","2561","2570","10.1039/C9NJ05571A","","","0.71073","MoKα","","0.0623","0.0479","","","0.1264","0.1455","","","","","","1.036","","","","has coordinates","257755","2020-10-21","18:00:00",""
"7059218","13.545","0.003","13.888","0.003","19.666","0.004","80.9","0.03","83.11","0.03","67.71","0.03","3372.6","1.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H68 Er2 N2 O13 -","- C80 H68 Er2 N2 O13 -","- C160 H136 Er4 N4 O26 -","2","1","","Chen, Huan-Huan; Wu, Dong-Fang; Duan, Yao-Yao; Li, Ling; Wang, Yun-Juan; Zhang, Xue-Mei; Cui, Jian-Zhong; Gao, Hong-Ling","The near-infrared luminescence and magnetism of dinuclear complexes with different local symmetries constructed from a β-diketonate co-ligand and bis-Schiff base ligand","New Journal of Chemistry","2020","44","6","2561","2570","10.1039/C9NJ05571A","","","0.71073","MoKα","","0.0537","0.0438","","","0.1245","0.1439","","","","","","1.023","","","","has coordinates","257755","2020-10-21","18:00:00",""
"7059219","7.433","0.0002","10.9372","0.0002","14.2039","0.0003","72.34","0.001","84.656","0.001","76.053","0.001","1067.62","0.04","98","2","98","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H20 Co2 O12 -","- C17 H20 Co2 O12 -","- C34 H40 Co4 O24 -","2","1","","Li, Bai-Ling; Wang, Jun-Ku; Gao, Jin-Sheng; Yu, Ying-Hui; Ma, Dong-Sheng","A semi-rigid tricarboxylate ligand based Co(ii) coordination polymer: construction and applications in multiple sensing","New Journal of Chemistry","2020","44","9","3664","3671","10.1039/C9NJ05766H","","","0.71073","MoKα","","0.0445","0.035","","","0.0954","0.102","","","","","","1.063","","","","has coordinates,has disorder","257821","2020-10-21","18:00:00",""
"7059220","13.7952","0.0007","7.584","0.0004","20.2728","0.0009","90","","62.896","0.003","90","","1888.07","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl N O3 S -","- C21 H16 Cl N O3 S -","- C84 H64 Cl4 N4 O12 S4 -","4","1","","Custodio, Jean M. F.; Moura, Andrea F.; de Moraes, Manoel O.; Perez, Caridad N.; Napolitano, Hamilton B.","On the in silico and in vitro anticancer activity of sulfonamide chalcones: potential JNKK3 inhibitors","New Journal of Chemistry","2020","44","8","3294","3309","10.1039/C9NJ05612B","","","0.71073","MoKα","","0.0447","0.0384","","","0.1004","0.1057","","","","","","1.04","","","","has coordinates","257694","2020-10-21","18:00:00",""
"7059221","26.984","0.003","7.6486","0.0008","18.354","0.002","90","","107.479","0.003","90","","3613.2","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 F N O3 S -","- C21 H16 F N O3 S -","- C168 H128 F8 N8 O24 S8 -","8","1","","Custodio, Jean M. F.; Moura, Andrea F.; de Moraes, Manoel O.; Perez, Caridad N.; Napolitano, Hamilton B.","On the in silico and in vitro anticancer activity of sulfonamide chalcones: potential JNKK3 inhibitors","New Journal of Chemistry","2020","44","8","3294","3309","10.1039/C9NJ05612B","","","0.71073","MoKα","","0.0706","0.0453","","","0.1122","0.1316","","","","","","1.062","","","","has coordinates","257694","2020-10-21","18:00:00",""
"7059222","11.6707","0.0012","12.5558","0.0013","13.3311","0.0014","90","","101.004","0.003","90","","1917.6","0.3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfonamide chalcone","(E)-3-(2-chlorophenyl)-1-(2-(phenylsulfonylamine)phenyl)prop-2-en-1-one","","- C22 H19 N O4 S -","- C22 H19 N O4 S -","- C88 H76 N4 O16 S4 -","4","1","","Custodio, Jean M. F.; Moura, Andrea F.; de Moraes, Manoel O.; Perez, Caridad N.; Napolitano, Hamilton B.","On the in silico and in vitro anticancer activity of sulfonamide chalcones: potential JNKK3 inhibitors","New Journal of Chemistry","2020","44","8","3294","3309","10.1039/C9NJ05612B","","","0.71073","MoKα","","0.0712","0.0504","","","0.1212","0.1389","","","","","","1.119","","","","has coordinates","257694","2020-10-21","18:00:00",""
"7059223","13.1059","0.0005","17.5044","0.0008","8.1948","0.0004","90","","102.278","0.002","90","","1836.98","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 F N O3 S -","- C21 H16 F N O3 S -","- C84 H64 F4 N4 O12 S4 -","4","1","","Custodio, Jean M. F.; Moura, Andrea F.; de Moraes, Manoel O.; Perez, Caridad N.; Napolitano, Hamilton B.","On the in silico and in vitro anticancer activity of sulfonamide chalcones: potential JNKK3 inhibitors","New Journal of Chemistry","2020","44","8","3294","3309","10.1039/C9NJ05612B","","","0.71073","MoKα","","0.0533","0.0395","","","0.0975","0.11","","","","","","1.039","","","","has coordinates","257694","2020-10-21","18:00:00",""
"7059224","14.0149","0.0016","7.6562","0.0009","18.38","0.002","90","","101.242","0.004","90","","1934.3","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfonamide chalcone","(E)-3-(2-methoxyphenyl)-1-(2-(phenylsulfonylamine)phenyl)prop-2-en-1-one","","- C21 H16 N2 O5 S -","- C21 H16 N2 O5 S -","- C84 H64 N8 O20 S4 -","4","1","","Custodio, Jean M. F.; Moura, Andrea F.; de Moraes, Manoel O.; Perez, Caridad N.; Napolitano, Hamilton B.","On the in silico and in vitro anticancer activity of sulfonamide chalcones: potential JNKK3 inhibitors","New Journal of Chemistry","2020","44","8","3294","3309","10.1039/C9NJ05612B","","","0.71073","MoKα","","0.0857","0.0528","","","0.1066","0.1193","","","","","","1.047","","","","has coordinates","257694","2020-10-21","18:00:00",""
"7059225","8.413","0.0004","9.8066","0.0005","13.1211","0.0007","73.231","0.002","85.049","0.002","69.892","0.002","973.22","0.09","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H16 Cl N O3 S -","- C21 H16 Cl N O3 S -","- C42 H32 Cl2 N2 O6 S2 -","2","1","","Custodio, Jean M. F.; Moura, Andrea F.; de Moraes, Manoel O.; Perez, Caridad N.; Napolitano, Hamilton B.","On the in silico and in vitro anticancer activity of sulfonamide chalcones: potential JNKK3 inhibitors","New Journal of Chemistry","2020","44","8","3294","3309","10.1039/C9NJ05612B","","","0.71073","MoKα","","0.0646","0.0444","","","0.1089","0.1211","","","","","","1.022","","","","has coordinates","257694","2020-10-21","18:00:00",""
"7059226","8.5051","0.0009","12.1557","0.0015","19.52","0.002","101.955","0.004","99.056","0.004","92.558","0.004","1943.5","0.4","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H32 Br2 N2 O6 S2 -","- C42 H32 Br2 N2 O6 S2 -","- C84 H64 Br4 N4 O12 S4 -","2","1","","Custodio, Jean M. F.; Moura, Andrea F.; de Moraes, Manoel O.; Perez, Caridad N.; Napolitano, Hamilton B.","On the in silico and in vitro anticancer activity of sulfonamide chalcones: potential JNKK3 inhibitors","New Journal of Chemistry","2020","44","8","3294","3309","10.1039/C9NJ05612B","","","0.71073","MoKα","","0.0604","0.0404","","","0.0934","0.1017","","","","","","1.029","","","","has coordinates","257694","2020-10-21","18:00:00",""
"7059227","13.8047","0.0012","7.5462","0.0007","18.9025","0.0015","90","","104.055","0.003","90","","1910.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bromine chalcone","(E)-3-(2-bromophenyl)-1-(2phenylsulfonylamine)-phenyl)prop-2-en-1-one","","- C21 H16 Br N O3 S -","- C21 H16 Br N O3 S -","- C84 H64 Br4 N4 O12 S4 -","4","1","","Custodio, Jean M. F.; Moura, Andrea F.; de Moraes, Manoel O.; Perez, Caridad N.; Napolitano, Hamilton B.","On the in silico and in vitro anticancer activity of sulfonamide chalcones: potential JNKK3 inhibitors","New Journal of Chemistry","2020","44","8","3294","3309","10.1039/C9NJ05612B","","","0.71073","MoKα","","0.041","0.0314","","","0.073","0.0778","","","","","","1.0514","","","","has coordinates","257694","2020-10-21","18:00:00",""
"7059228","8.8384","0.0005","26.6514","0.0016","8.7741","0.0004","90","","90.963","0.005","90","","2066.5","0.19","293.7","0.7","293.7","0.7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O4 S -","- C23 H21 N O4 S -","- C92 H84 N4 O16 S4 -","4","1","","Custodio, Jean M. F.; Moura, Andrea F.; de Moraes, Manoel O.; Perez, Caridad N.; Napolitano, Hamilton B.","On the in silico and in vitro anticancer activity of sulfonamide chalcones: potential JNKK3 inhibitors","New Journal of Chemistry","2020","44","8","3294","3309","10.1039/C9NJ05612B","","x-ray","0.71073","MoKα","","0.0724","0.0544","","","0.123","0.1307","","","","","","1.11","","","","has coordinates","257694","2020-10-21","18:00:00",""
"7059229","7.192","0.004","13.35","0.007","19.898","0.011","90","","92.983","0.007","90","","1907.9","1.8","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl (2E,4E,6Z)-6-(4-methoxyphenyl)-7-(4-nitrophenyl)hepta-2,4,6-trienoate","","- C21 H19 N O5 -","- C21 H19 N O5 -","- C84 H76 N4 O20 -","4","1","","Kiyota, Sayori; Hirano, Masafumi","An insight into regioselectivity in the transformation through a ruthenacycle","New Journal of Chemistry","2020","44","5","2129","2145","10.1039/C9NJ04880D","","","0.71075","MoKα","","0.1447","0.0554","","","0.1377","0.181","","","","","","0.913","","","","has coordinates","257707","2020-10-21","18:00:00",""
"7059230","8.721","0.0017","12.844","0.003","14.19","0.003","90","","99.62","0.03","90","","1567.1","0.6","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 I3.46 N8 Pd S4 -","- C16 H24 I3.46 N8 Pd S4 -","- C32 H48 I6.92 N16 Pd2 S8 -","2","0.5","","Isaia, Francesco; Aragoni, Maria Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Lippolis, Vito; Pivetta, Tiziana","Oxidant/complexing properties of the methimazole (MeImHS)/iodine system towards palladium and gold metals. Crystal structure of the complex cation [PdII(MeImHS)4]2+ balanced by a tetraiodide/iodide mixture","New Journal of Chemistry","2020","44","6","2652","2660","10.1039/C9NJ05872A","","","0.71073","MoKα","","0.0611","0.0478","","","0.1393","0.1476","","","","","","1.095","","","","has coordinates","257756","2020-10-21","18:00:00",""
"7059231","8.1177","0.0013","13.574","0.002","16.277","0.003","107.443","0.003","90.128","0.003","90.166","0.003","1711.1","0.5","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 Cl3 N2 O4 S -","- C13 H15 Cl3 N2 O4 S -","- C52 H60 Cl12 N8 O16 S4 -","4","2","","Sadanandan, Sandhya; Gupta, Dharmendra Kumar","Changing stereoselectivity and regioselectivity in copper(i)-catalyzed 5-exo cyclization by chelation and rigidity in aminoalkyl radicals: synthesis towards diverse bioactive N-heterocycles","New Journal of Chemistry","2020","44","8","3350","3365","10.1039/C9NJ05166J","","","0.71073","MoKα","","0.0968","0.0849","","","0.2003","0.2071","","","","","","1.191","","","","has coordinates","257698","2020-10-21","18:00:00",""
"7059232","12.302","0.003","13.884","0.003","8.368","0.002","90","","101.188","0.004","90","","1402.1","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cl3 N O2 -","- C13 H12 Cl3 N O2 -","- C52 H48 Cl12 N4 O8 -","4","1","","Sadanandan, Sandhya; Gupta, Dharmendra Kumar","Changing stereoselectivity and regioselectivity in copper(i)-catalyzed 5-exo cyclization by chelation and rigidity in aminoalkyl radicals: synthesis towards diverse bioactive N-heterocycles","New Journal of Chemistry","2020","44","8","3350","3365","10.1039/C9NJ05166J","","","0.71073","MoKα","","0.0976","0.0861","","","0.1667","0.1723","","","","","","1.275","","","","has coordinates","257698","2020-10-21","18:00:00",""
"7059233","18.0711","0.0012","5.8758","0.0004","12.1915","0.0008","90","","90","","90","","1294.52","0.15","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H15 Fe N O0.75 S1.25 -","- C14 H15 Fe N O0.75 S1.25 -","- C56 H60 Fe4 N4 O3 S5 -","4","1","","Yadav, Reena; Singh, Suryabhan; Trivedi, Manoj; Kociok-Köhn, Gabriele; Rath, Nigam P.; Köhn, Randolf D.; Muddassir, Mohd.; Kumar, Abhinav","New main-group ferrocenyldithiocarbamates and conversion to ferrocene oxazolidine-2-thione and -2-one","New Journal of Chemistry","2020","44","8","3268","3277","10.1039/C9NJ06139H","","","0.71073","MoKα","","0.0614","0.0414","","","0.0612","0.0679","","","","","","1.03","","","","has coordinates,has disorder","257699","2020-10-21","18:00:00",""
"7059234","13.3801","0.0005","12.1406","0.0003","36.1701","0.0007","90","","90","","90","","5875.6","0.3","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C56 H66 Fe4 N4 O6 Pb S6 -","- C56 H66 Fe4 N4 O6 Pb S6 -","- C224 H264 Fe16 N16 O24 Pb4 S24 -","4","0.5","","Yadav, Reena; Singh, Suryabhan; Trivedi, Manoj; Kociok-Köhn, Gabriele; Rath, Nigam P.; Köhn, Randolf D.; Muddassir, Mohd.; Kumar, Abhinav","New main-group ferrocenyldithiocarbamates and conversion to ferrocene oxazolidine-2-thione and -2-one","New Journal of Chemistry","2020","44","8","3268","3277","10.1039/C9NJ06139H","","x-ray","0.71073","MoKα","","0.0645","0.0435","","","0.0846","0.0937","","","","","","1.047","","","","has coordinates","257699","2020-10-21","18:00:00",""
"7059235","7.4655","0.0002","17.0134","0.0007","19.1135","0.0006","104.531","0.003","98.067","0.002","101.727","0.003","2253.6","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H96 Bi2 Fe6 N6 O6 S12 -","- C84 H96 Bi2 Fe6 N6 O6 S12 -","- C84 H96 Bi2 Fe6 N6 O6 S12 -","1","0.5","","Yadav, Reena; Singh, Suryabhan; Trivedi, Manoj; Kociok-Köhn, Gabriele; Rath, Nigam P.; Köhn, Randolf D.; Muddassir, Mohd.; Kumar, Abhinav","New main-group ferrocenyldithiocarbamates and conversion to ferrocene oxazolidine-2-thione and -2-one","New Journal of Chemistry","2020","44","8","3268","3277","10.1039/C9NJ06139H","","","0.71073","MoKα","","0.0413","0.0321","","","0.0611","0.0643","","","","","","1.038","","","","has coordinates,has disorder","257699","2020-10-21","18:00:00",""
"7059236","10.5006","0.0003","12.6213","0.0005","18.8487","0.0004","101.456","0.002","91.791","0.002","102.151","0.003","2386.46","0.13","150","2","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C44 H54 Fe3 N3 O4 S6 Sb -","- C44 H54 Fe3 N3 O4 S6 Sb -","- C88 H108 Fe6 N6 O8 S12 Sb2 -","2","1","","Yadav, Reena; Singh, Suryabhan; Trivedi, Manoj; Kociok-Köhn, Gabriele; Rath, Nigam P.; Köhn, Randolf D.; Muddassir, Mohd.; Kumar, Abhinav","New main-group ferrocenyldithiocarbamates and conversion to ferrocene oxazolidine-2-thione and -2-one","New Journal of Chemistry","2020","44","8","3268","3277","10.1039/C9NJ06139H","","x-ray","1.54184","CuKα","","0.0609","0.0504","","","0.1198","0.1263","","","","","","1.056","","","","has coordinates,has disorder","257699","2020-10-21","18:00:00",""
"7059237","5.7019","0.0002","11.8123","0.0005","17.7316","0.0007","90","","90","","90","","1194.27","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Fe N O2 -","- C14 H15 Fe N O2 -","- C56 H60 Fe4 N4 O8 -","4","1","","Yadav, Reena; Singh, Suryabhan; Trivedi, Manoj; Kociok-Köhn, Gabriele; Rath, Nigam P.; Köhn, Randolf D.; Muddassir, Mohd.; Kumar, Abhinav","New main-group ferrocenyldithiocarbamates and conversion to ferrocene oxazolidine-2-thione and -2-one","New Journal of Chemistry","2020","44","8","3268","3277","10.1039/C9NJ06139H","","","0.71073","MoKα","","0.0281","0.0257","","","0.0609","0.0625","","","","","","1.027","","","","has coordinates,has disorder","257699","2020-10-21","18:00:00",""
"7059238","13.507","0.003","5.924","0.001","23.648","0.005","90","","94.45","0.02","90","","1886.5","0.7","300","","300","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C43 H38 S5 -","- C43 H38 S5 -","- C86 H76 S10 -","2","1","","Villa, Marco; D’Agostino, Simone; Sabatino, Piera; Noel, Raymond; Busto, José; Roy, Myriam; Gingras, Marc; Ceroni, Paola","Pentasulfurated benzene-cored asterisks: relationship between crystal structure and luminescence properties","New Journal of Chemistry","2020","44","8","3249","3254","10.1039/C9NJ05905A","","x-ray","0.71073","MoKα","","0.2822","0.0721","","","0.1014","0.1612","","","","","","0.861","","","","has coordinates","257695","2020-10-21","18:00:00",""
"7059239","13.174","0.002","5.8936","0.001","23.803","0.002","90","","94.469","0.012","90","","1842.5","0.4","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H36 O S5 -","- C42 H36 O S5 -","- C84 H72 O2 S10 -","2","1","","Villa, Marco; D’Agostino, Simone; Sabatino, Piera; Noel, Raymond; Busto, José; Roy, Myriam; Gingras, Marc; Ceroni, Paola","Pentasulfurated benzene-cored asterisks: relationship between crystal structure and luminescence properties","New Journal of Chemistry","2020","44","8","3249","3254","10.1039/C9NJ05905A","","x-ray","0.71073","MoKα","","0.2608","0.0786","","","0.1051","0.1622","","","","","","0.96","","","","has coordinates,has disorder","257695","2020-10-21","18:00:00",""
"7059240","12.9947","0.0019","5.79","0.001","23.584","0.003","90","","94.71","0.012","90","","1768.5","0.5","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H36 O S5 -","- C42 H36 O S5 -","- C84 H72 O2 S10 -","2","1","","Villa, Marco; D’Agostino, Simone; Sabatino, Piera; Noel, Raymond; Busto, José; Roy, Myriam; Gingras, Marc; Ceroni, Paola","Pentasulfurated benzene-cored asterisks: relationship between crystal structure and luminescence properties","New Journal of Chemistry","2020","44","8","3249","3254","10.1039/C9NJ05905A","","x-ray","0.71073","MoKα","","0.2577","0.0884","","","0.1052","0.159","","","","","","0.95","","","","has coordinates,has disorder","257695","2020-10-21","18:00:00",""
"7059241","12.931","0.004","5.8914","0.0014","23.919","0.007","90","","94.154","0.011","90","","1817.4","0.9","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","A5CN_RT","","- C42 H35 N S5 -","- C42 H35 N S5 -","- C84 H70 N2 S10 -","2","1","","Villa, Marco; D’Agostino, Simone; Sabatino, Piera; Noel, Raymond; Busto, José; Roy, Myriam; Gingras, Marc; Ceroni, Paola","Pentasulfurated benzene-cored asterisks: relationship between crystal structure and luminescence properties","New Journal of Chemistry","2020","44","8","3249","3254","10.1039/C9NJ05905A","powder diffraction","","1.54056","CuKα1andKα2","","","","","","","","","10.3392","1.99202","","","","","","","has coordinates","257695","2020-10-21","18:00:00",""
"7059242","10.3699","0.0011","11.8276","0.0013","12.9546","0.0013","90","","103.536","0.004","90","","1544.8","0.3","303","2","303","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N5 -","- C19 H17 N5 -","- C76 H68 N20 -","4","1","","Xu, Shenzheng; Jia, Xiaoyu; Lu, Jiaxin; Zheng, Lianyou; Lv, Kuo; Shu, Yuanhong; Sun, Jingbo","Pteridine derivatives: novel low-molecular-weight organogelators and their piezofluorochromism","New Journal of Chemistry","2020","44","8","3382","3391","10.1039/C9NJ05922A","","","0.71073","MoKα","","0.0552","0.0433","","","0.1038","0.109","","","","","","1.076","","","","has coordinates","257697","2020-10-21","18:00:00",""
"7059243","9.2646","0.0003","9.299","0.0003","10.9654","0.0004","94.216","0.001","106.672","0.001","108.476","0.001","844.15","0.05","303","2","303","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H19 N5 -","- C20 H19 N5 -","- C40 H38 N10 -","2","1","","Xu, Shenzheng; Jia, Xiaoyu; Lu, Jiaxin; Zheng, Lianyou; Lv, Kuo; Shu, Yuanhong; Sun, Jingbo","Pteridine derivatives: novel low-molecular-weight organogelators and their piezofluorochromism","New Journal of Chemistry","2020","44","8","3382","3391","10.1039/C9NJ05922A","","","0.71073","MoKα","","0.0599","0.0474","","","0.1119","0.1204","","","","","","1.043","","","","has coordinates","257697","2020-10-21","18:00:00",""
"7059244","14.0861","0.0005","16.1493","0.0005","25.261","0.0008","90","","105.532","0.001","90","","5536.5","0.3","138","2","138","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H46 Cl4 Co N9 O3 -","- C65 H46 Cl4 Co N9 O3 -","- C260 H184 Cl16 Co4 N36 O12 -","4","1","","Dinda, Soumitra; Roy, Syamantak; Patra, Sarat Chandra; Bhandary, Subhrajyoti; Pramanik, Kausikisankar; Ganguly, Sanjib","Polyaromatic hydrocarbon derivatized azo-oximes of cobalt(iii) for the ligand-redox controlled electrocatalytic oxygen reduction reaction","New Journal of Chemistry","2020","44","9","3737","3747","10.1039/C9NJ05527D","","","0.71073","MoKα","","0.0809","0.0591","","","0.1521","0.1714","","","","","","1.032","","","","has coordinates,has disorder","257824","2020-10-21","18:00:00",""
"7059245","13.41","0.013","14.787","0.014","20.2","0.02","110.18","0.04","103.35","0.04","92.43","0.05","3625","6","151","2","150.67","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H30 Co N9 O3 -","- C39 H30 Co N9 O3 -","- C156 H120 Co4 N36 O12 -","4","2","","Dinda, Soumitra; Roy, Syamantak; Patra, Sarat Chandra; Bhandary, Subhrajyoti; Pramanik, Kausikisankar; Ganguly, Sanjib","Polyaromatic hydrocarbon derivatized azo-oximes of cobalt(iii) for the ligand-redox controlled electrocatalytic oxygen reduction reaction","New Journal of Chemistry","2020","44","9","3737","3747","10.1039/C9NJ05527D","","","0.71073","MoKα","","0.1747","0.0798","","","0.1694","0.217","","","","","","0.96","","","","has coordinates","257824","2020-10-21","18:00:00",""
"7059246","20.9681","0.0018","24.686","0.002","24.862","0.002","90","","90","","90","","12869","1.8","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C81 H54 Co N9 O3 -","- C81 H54 Co N9 O3 -","- C648 H432 Co8 N72 O24 -","8","1","","Dinda, Soumitra; Roy, Syamantak; Patra, Sarat Chandra; Bhandary, Subhrajyoti; Pramanik, Kausikisankar; Ganguly, Sanjib","Polyaromatic hydrocarbon derivatized azo-oximes of cobalt(iii) for the ligand-redox controlled electrocatalytic oxygen reduction reaction","New Journal of Chemistry","2020","44","9","3737","3747","10.1039/C9NJ05527D","","","0.71073","MoKα","","0.1753","0.0717","","","0.2001","0.2632","","","","","","0.961","","","","has coordinates","257824","2020-10-21","18:00:00",""
"7059247","12.3838","0.0017","13.0495","0.0013","8.3122","0.0009","90","","90.576","0.011","90","","1343.2","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","CuATSM","","- C8 H15 Cu N6 S2 -","- C8 H15 Cu N6 S2 -","- C32 H60 Cu4 N24 S8 -","4","1","","Jiang, Wen-Xing; Liu, Wei-Xia; Wang, Chun-Li; Zhan, Shu-Zhong; Wu, Song-Ping","A bis(thiosemicarbazonato)-copper complex, a new catalyst for electro- and photo-reduction of CO2 to methanol","New Journal of Chemistry","2020","44","7","2721","2726","10.1039/C9NJ05672F","","","0.71073","MoKα","","0.0603","0.0423","","","0.0616","0.0676","","","","","","0.992","","","","has coordinates","257816","2020-10-21","18:00:00",""
"7059248","13.63","0.003","13.65","0.003","17.23","0.003","76.9","0.03","68.64","0.03","77.65","0.03","2877.1","1.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H66 Dy2 N6 O15 -","- C51 H66 Dy2 N6 O15 -","- C102 H132 Dy4 N12 O30 -","2","1","","Li, Ling; Gou, Jian; Wu, Dong-Fang; Wang, Yun-Juan; Duan, Yao-Yao; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Near-infrared luminescence and magnetic properties of dinuclear rare earth complexes modulated by β-diketone co-ligands","New Journal of Chemistry","2020","44","10","3912","3921","10.1039/D0NJ00164C","","","0.71073","MoKα","","0.0796","0.0614","","","0.156","0.1773","","","","","","1.071","","","","has coordinates","257650","2020-10-21","18:00:00",""
"7059249","13.596","0.003","13.654","0.003","17.217","0.003","77.06","0.03","68.79","0.03","77.6","0.03","2872.4","1.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H66 N6 O15 Tb2 -","- C51 H66 N6 O15 Tb2 -","- C102 H132 N12 O30 Tb4 -","2","1","","Li, Ling; Gou, Jian; Wu, Dong-Fang; Wang, Yun-Juan; Duan, Yao-Yao; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Near-infrared luminescence and magnetic properties of dinuclear rare earth complexes modulated by β-diketone co-ligands","New Journal of Chemistry","2020","44","10","3912","3921","10.1039/D0NJ00164C","","","0.71073","MoKα","","0.0413","0.0352","","","0.0877","0.0924","","","","","","1.089","","","","has coordinates","257650","2020-10-21","18:00:00",""
"7059250","13.615","0.003","13.616","0.003","17.183","0.003","76.68","0.03","68.59","0.03","78.05","0.03","2859.1","1.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H66 Er2 N6 O15 -","- C51 H66 Er2 N6 O15 -","- C102 H132 Er4 N12 O30 -","2","1","","Li, Ling; Gou, Jian; Wu, Dong-Fang; Wang, Yun-Juan; Duan, Yao-Yao; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Near-infrared luminescence and magnetic properties of dinuclear rare earth complexes modulated by β-diketone co-ligands","New Journal of Chemistry","2020","44","10","3912","3921","10.1039/D0NJ00164C","","","0.71073","MoKα","","0.037","0.0298","","","0.0795","0.0945","","","","","","0.96","","","","has coordinates","257650","2020-10-21","18:00:00",""
"7059251","12.443","0.003","23.026","0.005","10.237","0.002","90","","95.31","0.03","90","","2920.4","1.1","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H64 N6 O14 Yb2 -","- C64 H64 N6 O14 Yb2 -","- C128 H128 N12 O28 Yb4 -","2","0.5","","Li, Ling; Gou, Jian; Wu, Dong-Fang; Wang, Yun-Juan; Duan, Yao-Yao; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Near-infrared luminescence and magnetic properties of dinuclear rare earth complexes modulated by β-diketone co-ligands","New Journal of Chemistry","2020","44","10","3912","3921","10.1039/D0NJ00164C","","","0.71073","MoKα","","0.0492","0.0401","","","0.0977","0.1039","","","","","","1.034","","","","has coordinates","257650","2020-10-21","18:00:00",""
"7059252","13.616","0.003","13.689","0.003","17.258","0.004","77.36","0.03","68.98","0.03","77.19","0.03","2893.4","1.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H66 Eu2 N6 O15 -","- C51 H66 Eu2 N6 O15 -","- C102 H132 Eu4 N12 O30 -","2","1","","Li, Ling; Gou, Jian; Wu, Dong-Fang; Wang, Yun-Juan; Duan, Yao-Yao; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Near-infrared luminescence and magnetic properties of dinuclear rare earth complexes modulated by β-diketone co-ligands","New Journal of Chemistry","2020","44","10","3912","3921","10.1039/D0NJ00164C","","","0.71073","MoKα","","0.0364","0.0312","","","0.0789","0.0828","","","","","","1.066","","","","has coordinates","257650","2020-10-21","18:00:00",""
"7059253","13.588","0.003","13.622","0.003","17.212","0.003","76.83","0.03","68.94","0.03","77.97","0.03","2866.7","1.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H66 Ho2 N6 O15 -","- C51 H66 Ho2 N6 O15 -","- C102 H132 Ho4 N12 O30 -","2","1","","Li, Ling; Gou, Jian; Wu, Dong-Fang; Wang, Yun-Juan; Duan, Yao-Yao; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Near-infrared luminescence and magnetic properties of dinuclear rare earth complexes modulated by β-diketone co-ligands","New Journal of Chemistry","2020","44","10","3912","3921","10.1039/D0NJ00164C","","","0.71073","MoKα","","0.0451","0.0366","","","0.0838","0.0889","","","","","","1.059","","","","has coordinates","257650","2020-10-21","18:00:00",""
"7059254","18.959","0.004","20.834","0.004","15.622","0.003","90","","113.06","0.03","90","","5678","2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 Dy2 N6 O12 -","- C60 H54 Dy2 N6 O12 -","- C240 H216 Dy8 N24 O48 -","4","1","","Li, Ling; Gou, Jian; Wu, Dong-Fang; Wang, Yun-Juan; Duan, Yao-Yao; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Near-infrared luminescence and magnetic properties of dinuclear rare earth complexes modulated by β-diketone co-ligands","New Journal of Chemistry","2020","44","10","3912","3921","10.1039/D0NJ00164C","","","0.71073","MoKα","","0.0697","0.0558","","","0.1342","0.1449","","","","","","1.06","","","","has coordinates","257650","2020-10-21","18:00:00",""
"7059255","12.424","0.0005","5.7358","0.0002","16.382","0.0006","90","","101.436","0.004","90","","1144.23","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","indomethacin L-proline","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid L-proline","","- C24 H27 Cl N2 O7 -","- C24 H27 Cl N2 O7 -","- C48 H54 Cl2 N4 O14 -","2","1","","Wang, Ling-Yang; Yu, Yue-Ming; Jiang, Fu-Bin; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","The first zwitterionic cocrystal of indomethacin with amino acid showing optimized physicochemical properties as well as accelerated absorption and slowed elimination in vivo","New Journal of Chemistry","2020","44","10","3930","3939","10.1039/C9NJ06180K","","","1.54184","CuKα","","0.0841","0.0788","","","0.2035","0.2096","","","","","","1.033","","","","has coordinates","257653","2020-10-21","18:00:00",""
"7059256","8.4314","0.001","7.1284","0.001","23.591","0.003","90","","91.638","0.012","90","","1417.3","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 O2 -","- C16 H17 N3 O2 -","- C64 H68 N12 O8 -","4","1","","Biswas, Nirmalendu; Bera, Sachinath; Sepay, Nayim; Pal, Amrita; Halder, Tanmoy; Ray, Sudipta; Acharyya, Swarnali; Biswas, Anup Kumar; Drew, Michael G. B.; Ghosh, Tapas","Simultaneous formation of non-oxidovanadium(iv) and oxidovanadium(v) complexes incorporating phenol-based hydrazone ligands in aerobic conditions","New Journal of Chemistry","2020","44","9","3700","3716","10.1039/C9NJ06114B","","","0.71073","MoKα","","0.1167","0.1044","","","0.224","0.2305","","","","","","1.251","","","","has coordinates","257823","2020-10-21","18:00:00",""
"7059257","6.8992","0.0008","10.718","0.0012","11.0208","0.0012","103.797","0.009","92.767","0.009","91.011","0.009","790.15","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Cl2 N6 O8 V2 -","- C32 H30 Cl2 N6 O8 V2 -","- C32 H30 Cl2 N6 O8 V2 -","1","0.5","","Biswas, Nirmalendu; Bera, Sachinath; Sepay, Nayim; Pal, Amrita; Halder, Tanmoy; Ray, Sudipta; Acharyya, Swarnali; Biswas, Anup Kumar; Drew, Michael G. B.; Ghosh, Tapas","Simultaneous formation of non-oxidovanadium(iv) and oxidovanadium(v) complexes incorporating phenol-based hydrazone ligands in aerobic conditions","New Journal of Chemistry","2020","44","9","3700","3716","10.1039/C9NJ06114B","","","0.71073","MoKα","","0.091","0.0673","","","0.1897","0.2044","","","","","","1.102","","","","has coordinates","257823","2020-10-21","18:00:00",""
"7059258","8.4289","0.0007","14.4775","0.0009","14.0191","0.0014","90","","101.407","0.009","90","","1677","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N3 O4 V -","- C17 H18 N3 O4 V -","- C68 H72 N12 O16 V4 -","4","1","","Biswas, Nirmalendu; Bera, Sachinath; Sepay, Nayim; Pal, Amrita; Halder, Tanmoy; Ray, Sudipta; Acharyya, Swarnali; Biswas, Anup Kumar; Drew, Michael G. B.; Ghosh, Tapas","Simultaneous formation of non-oxidovanadium(iv) and oxidovanadium(v) complexes incorporating phenol-based hydrazone ligands in aerobic conditions","New Journal of Chemistry","2020","44","9","3700","3716","10.1039/C9NJ06114B","","","0.71073","MoKα","","0.0865","0.0608","","","0.1378","0.1537","","","","","","0.929","","","","has coordinates","257823","2020-10-21","18:00:00",""
"7059259","9.7308","0.0004","13.0374","0.0005","12.7577","0.0006","90","","105.085","0.005","90","","1562.72","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N3 O4 V -","- C16 H16 N3 O4 V -","- C64 H64 N12 O16 V4 -","4","1","","Biswas, Nirmalendu; Bera, Sachinath; Sepay, Nayim; Pal, Amrita; Halder, Tanmoy; Ray, Sudipta; Acharyya, Swarnali; Biswas, Anup Kumar; Drew, Michael G. B.; Ghosh, Tapas","Simultaneous formation of non-oxidovanadium(iv) and oxidovanadium(v) complexes incorporating phenol-based hydrazone ligands in aerobic conditions","New Journal of Chemistry","2020","44","9","3700","3716","10.1039/C9NJ06114B","","","0.71073","MoKα","","0.0633","0.04","","","0.0919","0.0967","","","","","","0.933","","","","has coordinates","257823","2020-10-21","18:00:00",""
"7059260","16.7983","0.0014","7.336","0.0008","12.7009","0.0013","90","","111.721","0.011","90","","1454","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C64 H68 N12 O12 -","4","1","","Biswas, Nirmalendu; Bera, Sachinath; Sepay, Nayim; Pal, Amrita; Halder, Tanmoy; Ray, Sudipta; Acharyya, Swarnali; Biswas, Anup Kumar; Drew, Michael G. B.; Ghosh, Tapas","Simultaneous formation of non-oxidovanadium(iv) and oxidovanadium(v) complexes incorporating phenol-based hydrazone ligands in aerobic conditions","New Journal of Chemistry","2020","44","9","3700","3716","10.1039/C9NJ06114B","","","0.71073","MoKα","","0.1407","0.0805","","","0.157","0.1827","","","","","","1.038","","","","has coordinates","257823","2020-10-21","18:00:00",""
"7059261","11.0164","0.0009","9.539","0.0009","27.584","0.002","90","","92.035","0.008","90","","2896.8","0.4","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H30 N6 O6 V -","- C32 H30 N6 O6 V -","- C128 H120 N24 O24 V4 -","4","0.5","","Biswas, Nirmalendu; Bera, Sachinath; Sepay, Nayim; Pal, Amrita; Halder, Tanmoy; Ray, Sudipta; Acharyya, Swarnali; Biswas, Anup Kumar; Drew, Michael G. B.; Ghosh, Tapas","Simultaneous formation of non-oxidovanadium(iv) and oxidovanadium(v) complexes incorporating phenol-based hydrazone ligands in aerobic conditions","New Journal of Chemistry","2020","44","9","3700","3716","10.1039/C9NJ06114B","","","0.71073","MoKα","","0.1716","0.1015","","","0.1211","0.143","","","","","","1.06","","","","has coordinates","257823","2020-10-21","18:00:00",""
"7059262","8.9923","0.0002","12.1935","0.0003","15.8556","0.0005","90","","104.014","0.003","90","","1686.78","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N3 O5 V -","- C17 H18 N3 O5 V -","- C68 H72 N12 O20 V4 -","4","1","","Biswas, Nirmalendu; Bera, Sachinath; Sepay, Nayim; Pal, Amrita; Halder, Tanmoy; Ray, Sudipta; Acharyya, Swarnali; Biswas, Anup Kumar; Drew, Michael G. B.; Ghosh, Tapas","Simultaneous formation of non-oxidovanadium(iv) and oxidovanadium(v) complexes incorporating phenol-based hydrazone ligands in aerobic conditions","New Journal of Chemistry","2020","44","9","3700","3716","10.1039/C9NJ06114B","","","0.71073","MoKα","","0.0469","0.0342","","","0.0891","0.0915","","","","","","0.975","","","","has coordinates","257823","2020-10-21","18:00:00",""
"7059263","4.9683","0.0012","13.968","0.003","17.534","0.004","90","","90.619","0.003","90","","1216.7","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(5A)","(2-Iodobiphenyl-3-yl)boronic acid","","- C12 H10 B I O2 -","- C12 H10 B I O2 -","- C48 H40 B4 I4 O8 -","4","1","","Al-Zoubi, Raed M.; Al-Jammal, Walid K.; McDonald, Robert","Regioselective synthesis of ortho-iodobiphenylboronic acid derivatives: a superior catalyst for carboxylic acid activation","New Journal of Chemistry","2020","44","9","3612","3623","10.1039/C9NJ05708K","","","0.71073","MoKα","","0.0635","0.0361","","","0.0695","0.079","","","","","","0.99","","","","has coordinates","257818","2020-10-21","18:00:00",""
"7059264","7.4048","0.0003","9.6801","0.0004","10.5728","0.0004","101.675","0.0004","90.6702","0.0005","105.763","0.0004","712.47","0.05","193","2","193","2","","","","","","","","5","P -1","-P 1","2","(19A)","(2-iodo-4',5-dimethoxybiphenyl-3-yl)boronic acid","","- C14 H14 B I O4 -","- C14 H14 B I O4 -","- C28 H28 B2 I2 O8 -","2","1","","Al-Zoubi, Raed M.; Al-Jammal, Walid K.; McDonald, Robert","Regioselective synthesis of ortho-iodobiphenylboronic acid derivatives: a superior catalyst for carboxylic acid activation","New Journal of Chemistry","2020","44","9","3612","3623","10.1039/C9NJ05708K","","","0.71073","MoKα","","0.0232","0.0208","","","0.0485","0.0499","","","","","","1.07","","","","has coordinates","257818","2020-10-21","18:00:00",""
"7059265","19.7878","0.0014","5.0588","0.0004","27.336","0.002","90","","93.9416","0.001","90","","2729.9","0.4","193","2","193","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","(14A)","(2-iodo-5-methoxybiphenyl-3-yl)boronic acid","","- C13 H12 B I O3 -","- C13 H12 B I O3 -","- C104 H96 B8 I8 O24 -","8","1","","Al-Zoubi, Raed M.; Al-Jammal, Walid K.; McDonald, Robert","Regioselective synthesis of ortho-iodobiphenylboronic acid derivatives: a superior catalyst for carboxylic acid activation","New Journal of Chemistry","2020","44","9","3612","3623","10.1039/C9NJ05708K","","","0.71073","MoKα","","0.0333","0.0264","","","0.0592","0.0625","","","","","","1.033","","","","has coordinates","257818","2020-10-21","18:00:00",""
"7059266","5.1433","0.0002","13.2175","0.0004","14.1071","0.0004","114.14","0.0017","94.4519","0.0016","93.3392","0.0016","868.24","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(21A)","(2-iodo-5-methoxy-4'-phenoxybiphenyl-3-yl)boronic acid","","- C19 H16 B I O4 -","- C19 H16 B I O4 -","- C38 H32 B2 I2 O8 -","2","1","","Al-Zoubi, Raed M.; Al-Jammal, Walid K.; McDonald, Robert","Regioselective synthesis of ortho-iodobiphenylboronic acid derivatives: a superior catalyst for carboxylic acid activation","New Journal of Chemistry","2020","44","9","3612","3623","10.1039/C9NJ05708K","","","1.54178","CuKα","","0.027","0.0252","","","0.0605","0.061","","","","","","0.998","","","","has coordinates","257818","2020-10-21","18:00:00",""
"7059267","12.048","0.002","11.01","0.0018","13.672","0.002","90","","97.956","0.006","90","","1796.1","0.5","110","","110","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N5 -","- C22 H17 N5 -","- C88 H68 N20 -","4","1","","Moustafa, Mohamed E.; Boyle, Paul D.; Puddephatt, Richard J.","Photoswitchable organoplatinum complexes with an azobenzene derivative of di-2-pyridylamine","New Journal of Chemistry","2020","44","7","2882","2889","10.1039/C9NJ05313A","","","0.71073","MoKα","","0.0821","0.0597","","","0.162","0.1794","","","","","","1.04","","","","has coordinates,has disorder","257817","2020-10-21","18:00:00",""
"7059268","14.255","0.003","12.232","0.002","25.245","0.006","90","","90","","90","","4401.9","1.6","110","","110","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H23 N5 Pt -","- C24 H23 N5 Pt -","- C192 H184 N40 Pt8 -","8","1","","Moustafa, Mohamed E.; Boyle, Paul D.; Puddephatt, Richard J.","Photoswitchable organoplatinum complexes with an azobenzene derivative of di-2-pyridylamine","New Journal of Chemistry","2020","44","7","2882","2889","10.1039/C9NJ05313A","","","0.71073","MoKα","","0.0502","0.0265","","","0.0495","0.0557","","","","","","1.015","","","","has coordinates","257817","2020-10-21","18:00:00",""
"7059269","21.215","0.008","16.979","0.007","15.512","0.007","90","","117.328","0.01","90","","4964","4","223","","223","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 I2 N5 Pt -","- C24 H23 I2 N5 Pt -","- C192 H184 I16 N40 Pt8 -","8","1","","Moustafa, Mohamed E.; Boyle, Paul D.; Puddephatt, Richard J.","Photoswitchable organoplatinum complexes with an azobenzene derivative of di-2-pyridylamine","New Journal of Chemistry","2020","44","7","2882","2889","10.1039/C9NJ05313A","","","0.71073","MoKα","","0.065","0.0329","","","0.0528","0.0593","","","","","","1.061","","","","has coordinates,has disorder","257817","2020-10-21","18:00:00",""
"7059270","11.086","0.004","10.722","0.004","25.681","0.01","90","","101.103","0.016","90","","2995","2","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H33 Br N5 O0.5 Pt -","- C32.5 H33 Br N5 O0.5 Pt -","- C130 H132 Br4 N20 O2 Pt4 -","4","1","","Moustafa, Mohamed E.; Boyle, Paul D.; Puddephatt, Richard J.","Photoswitchable organoplatinum complexes with an azobenzene derivative of di-2-pyridylamine","New Journal of Chemistry","2020","44","7","2882","2889","10.1039/C9NJ05313A","","","0.71073","MoKα","","0.0868","0.0428","","","0.0823","0.0946","","","","","","1.042","","","","has coordinates,has disorder","257817","2020-10-21","18:00:00",""
"7059271","10.0278","0.0004","10.815","0.0004","11.265","0.0004","90","","98.834","0.001","90","","1207.2","0.08","120","2","120","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C10 H16 N5 O1.5 -","- C10 H16 N5 O1.5 -","- C40 H64 N20 O6 -","4","1","","Lukov, Vladimir V.; Tsaturyan, Arshak A.; Tupolova, Yulia P.; Popov, Leonid D.; Shcherbakov, Igor N.; Lebedev, Vladimir E.; Askalepova, Olga I.; Lastovina, Tatiana A.; Lazarenko, Vladimir A.; Khustalev, Victor N.; Poler, Jordan C.","Theoretical and experimental study of the coordination ability of 4,6-dimethylpyrimidinylhydrazone diacetylmonooxime towards Ni(ii), Mn(ii), Fe(iii) and Co(iii) ions","New Journal of Chemistry","2020","44","5","2146","2154","10.1039/C9NJ05200C","","","0.71073","MoKα","","0.0769","0.0463","","","0.1219","0.1388","","","","","","1.023","","","","has coordinates","257711","2020-10-21","18:00:00",""
"7059272","11.07","0.002","11.18","0.002","12.88","0.003","70.07","0.03","65.63","0.03","88.17","0.03","1354","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32.34 Cl2 N10 Ni O3.17 -","- C20 H32.33 Cl2 N10 Ni O3.17 -","- C40 H64.66 Cl4 N20 Ni2 O6.34 -","2","1","","Lukov, Vladimir V.; Tsaturyan, Arshak A.; Tupolova, Yulia P.; Popov, Leonid D.; Shcherbakov, Igor N.; Lebedev, Vladimir E.; Askalepova, Olga I.; Lastovina, Tatiana A.; Lazarenko, Vladimir A.; Khustalev, Victor N.; Poler, Jordan C.","Theoretical and experimental study of the coordination ability of 4,6-dimethylpyrimidinylhydrazone diacetylmonooxime towards Ni(ii), Mn(ii), Fe(iii) and Co(iii) ions","New Journal of Chemistry","2020","44","5","2146","2154","10.1039/C9NJ05200C","","","0.7927","synchrotron","","0.0363","0.0325","","","0.0821","0.0844","","","","","","1.037","","","","has coordinates","257711","2020-10-21","18:00:00",""
"7059273","8.1014","0.0016","22.215","0.004","28.766","0.006","90","","90","","90","","5177.1","1.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Cl Co N10 O6 -","- C20 H28 Cl Co N10 O6 -","- C160 H224 Cl8 Co8 N80 O48 -","8","1","","Lukov, Vladimir V.; Tsaturyan, Arshak A.; Tupolova, Yulia P.; Popov, Leonid D.; Shcherbakov, Igor N.; Lebedev, Vladimir E.; Askalepova, Olga I.; Lastovina, Tatiana A.; Lazarenko, Vladimir A.; Khustalev, Victor N.; Poler, Jordan C.","Theoretical and experimental study of the coordination ability of 4,6-dimethylpyrimidinylhydrazone diacetylmonooxime towards Ni(ii), Mn(ii), Fe(iii) and Co(iii) ions","New Journal of Chemistry","2020","44","5","2146","2154","10.1039/C9NJ05200C","","","0.8042","synchrotron","","0.0662","0.0578","","","0.1299","0.1346","","","","","","1.142","","","","has coordinates","257711","2020-10-21","18:00:00",""
"7059274","12.89","0.003","15.01","0.003","15.15","0.003","94.9","0.03","91.49","0.03","96.56","0.03","2899.5","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H31.5 Cl2 Mn N10 O10.75 -","- C20 H31.5 Cl2 Mn N10 O10.75 -","- C80 H126 Cl8 Mn4 N40 O43 -","4","2","","Lukov, Vladimir V.; Tsaturyan, Arshak A.; Tupolova, Yulia P.; Popov, Leonid D.; Shcherbakov, Igor N.; Lebedev, Vladimir E.; Askalepova, Olga I.; Lastovina, Tatiana A.; Lazarenko, Vladimir A.; Khustalev, Victor N.; Poler, Jordan C.","Theoretical and experimental study of the coordination ability of 4,6-dimethylpyrimidinylhydrazone diacetylmonooxime towards Ni(ii), Mn(ii), Fe(iii) and Co(iii) ions","New Journal of Chemistry","2020","44","5","2146","2154","10.1039/C9NJ05200C","","","0.7927","synchrotron","","0.0573","0.0487","","","0.129","0.1359","","","","","","1.042","","","","has coordinates,has disorder","257711","2020-10-21","18:00:00",""
"7059275","29.6557","0.0007","29.6557","0.0007","9.9045","0.0003","90","","90","","120","","7543.6","0.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H15 Br N2 O2 S -","- C18 H15 Br N2 O2 S -","- C324 H270 Br18 N36 O36 S18 -","18","1","","Basu, Pallabita; Hazra, Chiranjit; Baiju, Thekke V.; Namboothiri, Irishi N. N.","Synthesis of tetrahydrothiopyrano[2,3-b]indoles via [3+3] annulation of nitroallylic acetates with indoline-2-thiones","New Journal of Chemistry","2020","44","4","1389","1399","10.1039/C9NJ04754A","","x-ray","0.71073","MoKα","","0.0324","0.0279","","","0.0633","0.0654","","","","","","1.036","","","","has coordinates","257727","2020-10-21","18:00:00",""
"7059276","15.5165","0.0004","17.509","0.0009","7.3318","0.0005","90","","90","","90","","1991.89","0.18","293","2","293","2","","","","","","","","5","F m m m","-F 2 2","69","Cd4(SeO3)2Cl4(H2O)","'Cd4(SeO3)2Cl4(H2O)'","","- Cd4 Cl4 H2 O7 Se2 -","- Cd4 Cl4 H2 O7 Se2 -","- Cd32 Cl32 H16 O56 Se16 -","8","0.25","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0428","0.0427","","","0.122","0.1221","","","","","","1.075","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059277","5.9625","0.0011","9.3712","0.0018","12.051","0.002","75.207","0.003","88.706","0.003","80.057","0.003","641.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H8 F8 I4 N -","- C24 H8 F8 I4 N -","- C24 H8 F8 I4 N -","1","0.5","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.041","0.0325","","","0.0746","0.0789","","","","","","1.018","","","","has coordinates,has disorder","257651","2020-10-21","18:00:00",""
"7059278","10.7592","0.0009","13.2163","0.001","13.8207","0.0012","99.285","0.006","106.566","0.006","100.756","0.006","1801.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.1279","0.0412","","","0.0875","0.1061","","","","","","0.726","","","","has coordinates,has disorder","257651","2020-10-21","18:00:00",""
"7059279","10.5903","0.0016","13.106","0.002","13.493","0.002","98.591","0.012","109.128","0.012","99.938","0.013","1699.6","0.5","65","2","65","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Cu F15 N4 O6 -","- C28 H27 Cu F15 N4 O6 -","- C56 H54 Cu2 F30 N8 O12 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.1823","0.0565","","","0.1112","0.1427","","","","","","0.754","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059280","10.8445","0.001","13.3049","0.0011","13.3647","0.0011","98.9","0.005","96.585","0.005","112.372","0.005","1729.6","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Cu F15 N4 O6 -","- C28 H27 Cu F15 N4 O6 -","- C56 H54 Cu2 F30 N8 O12 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0676","0.0397","","","0.0849","0.0931","","","","","","0.909","","","","has coordinates,has disorder","257651","2020-10-21","18:00:00",""
"7059281","10.6489","0.0007","13.1068","0.0008","13.4746","0.0008","98.614","0.004","109.029","0.004","99.544","0.005","1710.9","0.2","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Cu F15 N4 O6 -","- C28 H27 Cu F15 N4 O6 -","- C56 H54 Cu2 F30 N8 O12 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.1206","0.0471","","","0.0846","0.1001","","","","","","0.772","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059282","11.0848","0.0011","13.4222","0.0013","13.422","0.0013","98.223","0.006","97.348","0.006","111.84","0.006","1798.6","0.3","240","","240","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Cu F15 N4 O6 -","- C28 H27 Cu F15 N4 O6 -","- C56 H54 Cu2 F30 N8 O12 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0873","0.0432","","","0.0982","0.1114","","","","","","0.863","","","","has coordinates,has disorder","257651","2020-10-21","18:00:00",""
"7059283","10.3823","0.0004","13.0953","0.0004","13.6544","0.0005","99.023","0.002","104.885","0.002","103.411","0.002","1698.35","0.11","142","2","142","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0518","0.0354","","","0.0993","0.1062","","","","","","1.05","","","","has coordinates,has disorder","257651","2020-10-21","18:00:00",""
"7059284","10.5061","0.0006","13.1523","0.0008","13.9207","0.0009","99.488","0.004","104.245","0.004","103.517","0.004","1761.6","0.2","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0744","0.0403","","","0.1058","0.1199","","","","","","0.802","","","","has coordinates,has disorder","257651","2020-10-21","18:00:00",""
"7059285","10.61","0.002","13.202","0.003","14.083","0.003","100.35","0.03","103.84","0.03","103.09","0.03","1807.7","0.8","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H62 Cu2 F24 N8 O12 -","- C57 H62 Cu2 F24 N8 O12 -","- C57 H62 Cu2 F24 N8 O12 -","1","0.5","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.1582","0.0588","","","0.1456","0.189","","","","","","0.907","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059286","10.4354","0.001","13.0352","0.0012","13.4418","0.0013","98.783","0.006","105.985","0.006","101.687","0.006","1678.6","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0592","0.0379","","","0.0883","0.0954","","","","","","0.926","","","","has coordinates,has disorder","257651","2020-10-21","18:00:00",""
"7059287","10.3066","0.0006","13.097","0.0007","13.5407","0.0008","99.057","0.004","104.945","0.004","103.359","0.004","1671.78","0.18","60","2","60","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0711","0.0397","","","0.0917","0.1012","","","","","","0.842","","","","has coordinates,has disorder","257651","2020-10-21","18:00:00",""
"7059288","10.3612","0.0004","13.0926","0.0005","13.62","0.0005","98.996","0.002","104.929","0.002","103.443","0.002","1689.75","0.12","126","2","126","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0668","0.0402","","","0.1038","0.1125","","","","","","1.007","","","","has coordinates,has disorder","257651","2020-10-21","18:00:00",""
"7059289","10.662","0.0012","13.1113","0.0014","13.6593","0.0015","98.893","0.008","106.584","0.008","100.975","0.008","1751.7","0.4","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0876","0.0418","","","0.0874","0.0989","","","","","","0.834","","","","has coordinates,has disorder","257651","2020-10-21","18:00:00",""
"7059290","10.4659","0.0009","13.0407","0.0011","13.4625","0.0011","98.788","0.006","106.123","0.006","101.592","0.006","1686.1","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0606","0.039","","","0.0903","0.0974","","","","","","0.93","","","","has coordinates,has disorder","257651","2020-10-21","18:00:00",""
"7059291","24.9655","0.001","3.8349","0.0001","26.7584","0.001","90","","115.488","0.005","90","","2312.52","0.17","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C104 H88 N24 O16 -","8","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0605","0.0418","","","0.1083","0.1121","","","","","","0.938","","","","has coordinates","298703","2025-04-03","05:34:16",""
"7059292","9.7843","0.0004","9.8972","0.0003","15.4313","0.0006","72.086","0.002","79.301","0.002","70.5","0.002","1334.57","0.09","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 N4 O4 -","- C34 H28 N4 O4 -","- C68 H56 N8 O8 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0746","0.037","","","0.0781","0.1009","","","","","","0.802","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059293","15.86","0.003","10.73","0.002","5.8704","0.0012","90","","90","","90","","999","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","3","P n a 21","P 2c -2n","33","","","","- C13 H10 N2 -","- C13 H10 N2 -","- C52 H40 N8 -","4","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","1.54178","CuKα","","0.1578","0.12","","","0.3536","0.3807","","","","","","1.574","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059294","10.1147","0.0002","15.1214","0.0002","17.1572","0.0003","90","","90","","90","","2624.17","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Cl3 N3 O2 -","- C26 H30 Cl3 N3 O2 -","- C104 H120 Cl12 N12 O8 -","4","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","1.5418","CuKα","","0.0471","0.0407","","","0.1016","0.1071","","","","","","1.033","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059295","3.9864","0.0003","21.6026","0.0015","17.7499","0.0014","90","","93.004","0.005","90","","1526.5","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","1.54178","CuKα","","0.0724","0.0586","","","0.1396","0.1519","","","","","","1.098","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059296","24.398","0.004","3.8017","0.0006","26.608","0.004","90","","113.302","0.006","90","","2266.7","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C96 H88 N24 O32 -","8","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.1106","0.078","","","0.2111","0.2312","","","","","","1.131","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059297","13.6037","0.001","11.6379","0.0009","7.3569","0.0004","90","","90","","90","","1164.73","0.14","150","0.1","150","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0504","0.0312","","","0.0562","0.0582","","","","","","0.856","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059298","5.3312","0.0004","15.3388","0.0008","23.7807","0.0013","90","","92.891","0.003","90","","1942.2","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 N2 O7 P -","- C18 H21 N2 O7 P -","- C72 H84 N8 O28 P4 -","4","2","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0963","0.0847","","","0.1899","0.1963","","","","","","1.119","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059299","5.2641","0.0006","12.0548","0.0013","16.4307","0.0015","74.96","0.004","83.959","0.004","80.275","0.004","990.4","0.18","143","1","143","1","","","","","","","","6","P 1","P 1","1","","","","- C18 H17 F5 N O5 P -","- C18 H17 F5 N O5 P -","- C36 H34 F10 N2 O10 P2 -","2","2","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0284","0.0259","","","0.0609","0.0621","","","","","","1.04","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059300","6.149","0.006","16.414","0.016","16.807","0.016","90","","98.426","0.011","90","","1678","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0867","0.0492","","","0.1085","0.1263","","","","","","1.015","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059301","8.7688","0.001","9.716","0.0011","12.439","0.0014","90","","110.073","0.002","90","","995.4","0.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O7 -","- C20 H27 N O7 -","- C40 H54 N2 O14 -","2","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0587","0.0442","","","0.095","0.1024","","","","","","1.074","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059302","9.299","0.006","26.824","0.018","8.234","0.006","90","","97.284","0.007","90","","2037","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Cl2 N O -","- C23 H19 Cl2 N O -","- C92 H76 Cl8 N4 O4 -","4","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.1048","0.0546","","","0.1219","0.1499","","","","","","1.012","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059303","6.6242","0.0002","21.6424","0.0006","8.2186","0.0003","90","","104.05","0.001","90","","1143","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Br N2 O2 -","- C12 H11 Br N2 O2 -","- C48 H44 Br4 N8 O8 -","4","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0319","0.0227","","","0.0511","0.0523","","","","","","0.954","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059304","27.454","0.002","13.7918","0.0012","6.666","0.0006","90","","98.678","0.003","90","","2495.1","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C120 H104 N24 O8 -","8","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.236","0.1095","","","0.2136","0.2988","","","","","","1.032","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059305","14.795","0.003","11.112","0.003","27.233","0.006","90","","105.434","0.003","90","","4315.7","1.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C58 H48 O4 -","- C58 H48 O4 -","- C232 H192 O16 -","4","0.5","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0801","0.0504","","","0.1224","0.1356","","","","","","1.045","","","","has coordinates,has disorder","257651","2020-10-21","18:00:00",""
"7059306","10.3322","0.0004","21.0652","0.0009","16.0539","0.0006","90","","90","","90","","3494.1","0.2","299","2","299.6","","","","","","","","","5","C c c 2","C 2 -2c","37","","Mn CRYSTAL","","- C32 H34 Mn2 N12 O8.5 -","- C32 H34 Mn2 N12 O8.5 -","- C128 H136 Mn8 N48 O34 -","4","0.5","","Adak, Piyali; Mondal, Antu; Chattopadhyay, Shyamal Kumar","Manganese(ii) complex of an oxygen‒nitrogen donor Schiff base ligand showing efficient catechol oxidase activity: synthesis, spectroscopic and kinetic study","New Journal of Chemistry","2020","44","9","3748","3754","10.1039/C9NJ04591K","","","0.71073","MoKα","","0.0479","0.0392","","","0.0969","0.1046","","","","","","1.094","","","","has coordinates","257820","2020-10-21","18:00:00",""
"7059307","13.1992","0.0019","9.2011","0.0009","23.622","0.002","90","","91.877","0.011","90","","2867.3","0.6","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H44 N10 O13 Zn2 -","- C56 H44 N10 O13 Zn2 -","- C112 H88 N20 O26 Zn4 -","2","0.5","","Xu, Tian-Yang; Li, Jia-Ming; Han, Ya-Hui; Wang, Ai-Rong; He, Kun-Huan; Shi, Zhong-Feng","A new 3D four-fold interpenetrated dia-like luminescent Zn(ii)-based metal‒organic framework: the sensitive detection of Fe3+, Cr2O72−, and CrO42− in water, and nitrobenzene in ethanol","New Journal of Chemistry","2020","44","10","4011","4022","10.1039/C9NJ06056A","","x-ray","0.71073","MoKα","","0.1043","0.0725","","","0.1895","0.2302","","","","","","1.073","","","","has coordinates","257649","2020-10-21","18:00:00",""
"7059308","7.518","0.007","9.118","0.009","11.293","0.011","70.671","0.01","71.668","0.011","78.323","0.011","689.2","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N O3 S -","- C16 H13 N O3 S -","- C32 H26 N2 O6 S2 -","2","1","","Bhasin, Aman K. K.; Raj, Pushap; Chauhan, Pooja; Mandal, Sanjay K.; Chaudhary, Savita; Singh, Narinder; Kaur, Navneet","Design and synthesis of a novel coumarin-based framework as a potential chemomarker of a neurotoxic insecticide, azamethiphos","New Journal of Chemistry","2020","44","8","3341","3349","10.1039/C9NJ04805G","","","0.71073","MoKα","","0.0503","0.046","","","0.1408","0.1461","","","","","","1.051","","","","has coordinates","257696","2020-10-21","18:00:00",""
"7059309","9.0695","0.0004","30.7871","0.0015","9.1428","0.0004","90","","101.22","0.0017","90","","2504.1","0.2","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5‒(4‒(1,2,2‒triphenylvinyl)phenyl)‒2H‒chromen‒2‒one","","- C35 H24 O2 -","- C35 H24 O2 -","- C140 H96 O8 -","4","1","","Reddy, T. Sheshashena; Moon, Hyungkyu; Choi, Myung-Seok","Coumarin‒tetraphenylethylene regioisomers: synthesis, photophysical and aggregation-induced emission properties","New Journal of Chemistry","2020","44","13","4992","5000","10.1039/D0NJ00037J","","","0.71073","MoKα","","0.0889","0.0504","","","0.1131","0.1407","","","","","","1.068","","","","has coordinates","257807","2020-10-21","18:00:00",""
"7059310","19.8872","0.001","5.8066","0.0002","26.9647","0.0016","90","","103.393","0.005","90","","3029.1","0.3","140","0.1","140","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H43 N Se2 Si -","- C32 H43 N Se2 Si -","- C128 H172 N4 Se8 Si4 -","4","1","","Petrenko, Alla; Bezvikonnyi, Oleksandr; Volyniuk, Dmytro; Danyliv, Yan; Simokaitiene, Jurate; Belyakov, Sergey; Grazulevicius, Juozas Vidas; Arsenyan, Pavel","Synthesis of fused chalcogenophenocarbazoles: towards dual emission resulting from hybridized local and charge-transfer states","New Journal of Chemistry","2020","44","10","3903","3911","10.1039/C9NJ06211D","","x-ray","0.71073","MoKα","","0.0767","0.0461","","","0.0844","0.0911","","","","","","1.011","","","","has coordinates","257654","2020-10-21","18:00:00",""
"7059311","26.4019","0.001","15.6825","0.0006","22.9171","0.0013","90","","121.571","0.001","90","","8084.4","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 Cl2 N5 O11 Ru -","- C20 H20 Cl2 N5 O11 Ru -","- C240 H240 Cl24 N60 O132 Ru12 -","12","1.5","","Vorobyev, Vasily; Mikhailov, Artem A.; Komarov, Vladislav Yu.; Makhinya, Alexander N.; Kostin, Gennadiy A.","Tuning the structure and photoinduced linkage isomerism of tetrapyridine nitrosyl ruthenium(ii) complexes by changing the trans-to-NO coordinated ligand","New Journal of Chemistry","2020","44","12","4762","4771","10.1039/C9NJ05862A","","","0.71073","MoKα","","0.0383","0.0292","","","0.0705","0.0756","","","","","","1.039","","","","has coordinates,has disorder","257896","2020-10-21","18:00:00",""
"7059312","17.0884","0.0015","38.951","0.004","12.1957","0.0011","90","","90","","90","","8117.6","1.3","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H25 N5 O2 S2 -","- C17 H25 N5 O2 S2 -","- C272 H400 N80 O32 S32 -","16","1","","Pham, Chien Thang; Roca Jungfer, Maximilian; Abram, Ulrich","Indium(iii) {2}-metallacryptates assembled from 2,6-dipicolinoyl-bis(N,N-diethylthiourea)","New Journal of Chemistry","2020","44","9","3672","3680","10.1039/C9NJ06420F","","","0.71073","MoKα","","0.131","0.1222","","","0.2454","0.2498","","","","","","1.148","","","","has coordinates,has disorder","257819","2020-10-21","18:00:00",""
"7059313","19.655","0.001","22.587","0.001","18.115","0.001","90","","113.96","0.01","90","","7349.1","0.9","200","2","200","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C58 H77 F6 In2 K N15 O6 P S6 -","- C58 H77 F6 In2 K N15 O6 P S6 -","- C232 H308 F24 In8 K4 N60 O24 P4 S24 -","4","1","","Pham, Chien Thang; Roca Jungfer, Maximilian; Abram, Ulrich","Indium(iii) {2}-metallacryptates assembled from 2,6-dipicolinoyl-bis(N,N-diethylthiourea)","New Journal of Chemistry","2020","44","9","3672","3680","10.1039/C9NJ06420F","","","0.71073","MoKα","","0.0657","0.0385","","","0.0865","0.0939","","","","","","0.892","","","","has coordinates,has disorder","257819","2020-10-21","18:00:00",""
"7059314","19.601","0.001","22.477","0.001","18.119","0.001","90","","113.88","0.01","90","","7299.4","0.9","200","2","200","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C58 H77 F6 In2 N15 O6 P Rb S6 -","- C58 H77 F6 In2 N15 O6 P Rb S6 -","- C232 H308 F24 In8 N60 O24 P4 Rb4 S24 -","4","1","","Pham, Chien Thang; Roca Jungfer, Maximilian; Abram, Ulrich","Indium(iii) {2}-metallacryptates assembled from 2,6-dipicolinoyl-bis(N,N-diethylthiourea)","New Journal of Chemistry","2020","44","9","3672","3680","10.1039/C9NJ06420F","","","0.71073","MoKα","","0.11","0.0418","","","0.0626","0.074","","","","","","0.813","","","","has coordinates,has disorder","257819","2020-10-21","18:00:00",""
"7059315","19.632","0.001","22.545","0.001","18.107","0.001","90","","113.96","0.01","90","","7323.6","0.9","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H81 F6 In2 N16 O6 P S6 -","- C58 H81 F6 In2 N16 O6 P S6 -","- C232 H324 F24 In8 N64 O24 P4 S24 -","4","1","","Pham, Chien Thang; Roca Jungfer, Maximilian; Abram, Ulrich","Indium(iii) {2}-metallacryptates assembled from 2,6-dipicolinoyl-bis(N,N-diethylthiourea)","New Journal of Chemistry","2020","44","9","3672","3680","10.1039/C9NJ06420F","","","0.71073","MoKα","","0.0729","0.0344","","","0.0591","0.065","","","","","","0.85","","","","has coordinates,has disorder","257819","2020-10-21","18:00:00",""
"7059316","7.2036","0.0005","10.2696","0.0007","11.0023","0.0008","90","","90","","90","","813.93","0.1","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Copper glutamate","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","1","","Olawale, Margaret D.; Tella, Adedibu C.; Obaleye, Joshua A.; Olatunji, Juwon S.","Synthesis, characterization and crystal structure of a copper-glutamate metal organic framework (MOF) and its adsorptive removal of ciprofloxacin drug from aqueous solution","New Journal of Chemistry","2020","44","10","3961","3969","10.1039/D0NJ00515K","","","1.5418","CuKα","","0.017","0.017","","0.0174","0.0174","0.0173","","","","","","1.0563","","","","has coordinates","257655","2020-10-21","18:00:00",""
"7059317","13.6288","0.0005","14.6252","0.0006","13.1217","0.0005","90","","111.204","0.002","90","","2438.4","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Co N2 O7 -","- C26 H24 Co N2 O7 -","- C104 H96 Co4 N8 O28 -","4","1","","Bhattacharyya, Manjit K.; Saha, Utpal; Dutta, Debajit; Frontera, Antonio; Verma, Akalesh K.; Sharma, Pranay; Das, Amal","Unconventional DNA-relevant π-stacked hydrogen bonded arrays involving supramolecular guest benzoate dimers and cooperative anion‒π/π‒π/π‒anion contacts in coordination compounds of Co(ii) and Zn(ii) phenanthroline: experimental and theoretical studies","New Journal of Chemistry","2020","44","11","4504","4518","10.1039/C9NJ05727G","","","0.71073","MoKα","","0.07","0.0435","","","0.0978","0.1089","","","","","","0.94","","","","has coordinates","257889","2020-10-21","18:00:00",""
"7059318","10.7414","0.0009","12.6975","0.0012","13.4453","0.0009","115.264","0.007","92.237","0.006","111.454","0.008","1501.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H26 Cl2 N4 O5 Zn -","- C31 H26 Cl2 N4 O5 Zn -","- C62 H52 Cl4 N8 O10 Zn2 -","2","1","","Bhattacharyya, Manjit K.; Saha, Utpal; Dutta, Debajit; Frontera, Antonio; Verma, Akalesh K.; Sharma, Pranay; Das, Amal","Unconventional DNA-relevant π-stacked hydrogen bonded arrays involving supramolecular guest benzoate dimers and cooperative anion‒π/π‒π/π‒anion contacts in coordination compounds of Co(ii) and Zn(ii) phenanthroline: experimental and theoretical studies","New Journal of Chemistry","2020","44","11","4504","4518","10.1039/C9NJ05727G","","","0.71073","MoKα","","0.0746","0.0487","","","0.0907","0.1083","","","","","","1.057","","","","has coordinates","257889","2020-10-21","18:00:00",""
"7059319","16.977","0.003","16.977","0.003","7.282","0.002","90","","90","","120","","1817.6","0.7","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- B19 Ba24 O57 Rb9 -","- B19 Ba24 O57 Rb9 -","- B19 Ba24 O57 Rb9 -","1","0.0833333","","Niu, Xiaowen; Wang, Li","Synthesis, characterization and crystal structure of a new mixed alkali and alkaline-earth metal borate Rb9Ba24(BO3)19","New Journal of Chemistry","2020","44","10","3882","3887","10.1039/C9NJ06320J","","","0.71073","MoKα","","0.0355","0.027","","","0.0605","0.0633","","","","","","1.043","","","","has coordinates","257657","2020-10-21","18:00:00",""
"7059320","10.972","0.003","11.579","0.003","22.431","0.006","85.129","0.007","78.968","0.007","68.6","0.006","2603.9","1.2","298","","293.15","","","","","","","","","6","P -1","-P 1","2","","dtc","","- C45 H62 N4 P2 Re2 S8 -","- C45 H62 N4 P2 Re2 S8 -","- C90 H124 N8 P4 Re4 S16 -","2","1","","Mandal, Suman; Mallick, Suman; Garu, Purnananda; Chowdhury, Jagannath; Samadder, Asmita; Das, Jayeeta; Khuda-Bukhsh, Anisur Rahman; Chattopadhyay, Swarup","The first examples of triply bonded dirhenium(II,II) complexes that contain bis(diphenylphosphino)methane and dithiocarbamato ligands: spectroscopic, structural, cytotoxicity and computational studies","New Journal of Chemistry","2020","44","10","4081","4091","10.1039/C9NJ06122C","","","0.71073","MoKα","","0.1371","0.0594","","","0.0872","0.112","","","","","","0.876","","","","has coordinates,has disorder","257652","2020-10-21","18:00:00",""
"7059321","9.5139","0.0006","11.883","0.0008","13.6051","0.0009","90","","103.3","0.006","90","","1496.85","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O5 S -","- C17 H14 O5 S -","- C68 H56 O20 S4 -","4","1","","Fernandes, Rodney A.; Gangani, Ashvin J.; Kunkalkar, Rupesh A.","Metal-free annulative hydrosulfonation of propiolate esters: synthesis of 4-sulfonates of coumarins and butenolides","New Journal of Chemistry","2020","44","10","3970","3984","10.1039/C9NJ06438A","","x-ray","0.71073","MoKα","","0.0732","0.051","","","0.1134","0.131","","","","","","1.053","","","","has coordinates","297561","2025-02-01","07:07:33",""
"7059322","15.4094","0.0013","16.5616","0.0014","46.034","0.004","90","","90","","90","","11748.1","1.7","273","2","273","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","Cobalt-organic Compound","","","- C14 H12 Co0.5 N2 O3 S2 -","- C14 H12 Co0.5 N2 O3 S2 -","- C448 H384 Co16 N64 O96 S64 -","32","1","","Daga, Pooja; Majee, Prakash; Singha, Debal Kanti; Manna, Priyanka; Hui, Sayani; Ghosh, Ananta Kumar; Mahata, Partha; Mondal, Sudip Kumar","Dramatic luminescence signal from a Co(ii)-based metal‒organic compound due to the construction of charge-transfer bands with Al3+ and Fe3+ ions in water: steady-state and time-resolved spectroscopic studies","New Journal of Chemistry","2020","44","11","4376","4385","10.1039/D0NJ00295J","","","0.71073","MoKα","","0.0601","0.0458","","","0.1129","0.1227","","","","","","0.896","","","","has coordinates","257893","2020-10-21","18:00:00",""
"7059323","26.8502","0.0016","26.8502","0.0016","16.7797","0.0012","90","","90","","90","","12097","1.3","150","2","150","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C80 H104 Gd4 N16 O20 -","- C80 H104 Gd4 N16 O20 -","- C320 H416 Gd16 N64 O80 -","4","0.25","","Wang, Wen-Min; Wang, Mei-Jiao; Hao, Sha-Sha; Shen, Qin-Yu; Wang, Mei-Ling; Liu, Qiao-Ling; Guan, Xiao-Fen; Zhang, Xiu-Tang; Wu, Zhi-Lei","‘Windmill’-shaped LnIII4 (LnIII = Gd and Dy) clusters: magnetocaloric effect and single-molecule-magnet behavior","New Journal of Chemistry","2020","44","11","4631","4638","10.1039/C9NJ05317D","","","0.71073","MoKα","","0.1028","0.0558","","","0.1485","0.183","","","","","","1.03","","","","has coordinates","257887","2020-10-21","18:00:00",""
"7059324","26.902","0.0014","26.902","0.0014","13.9514","0.0009","90","","90","","90","","10096.9","1","150","2","150.01","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C88 H124 Dy4 N16 O24 -","- C88 H124 Dy4 N16 O24 -","- C352 H496 Dy16 N64 O96 -","4","0.25","","Wang, Wen-Min; Wang, Mei-Jiao; Hao, Sha-Sha; Shen, Qin-Yu; Wang, Mei-Ling; Liu, Qiao-Ling; Guan, Xiao-Fen; Zhang, Xiu-Tang; Wu, Zhi-Lei","‘Windmill’-shaped LnIII4 (LnIII = Gd and Dy) clusters: magnetocaloric effect and single-molecule-magnet behavior","New Journal of Chemistry","2020","44","11","4631","4638","10.1039/C9NJ05317D","","","0.71073","MoKα","","0.1627","0.0856","","","0.2116","0.2783","","","","","","1.092","","","","has coordinates,has disorder","257887","2020-10-21","18:00:00",""
"7059325","5.6782","0.0002","11.7351","0.0004","12.7603","0.0004","115.226","0.0009","101.818","0.001","93.6185","0.0011","741.94","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","Fujita215-2","","","- C31 H33 N O12 -","- C31 H33 N O12 -","- C31 H33 N O12 -","1","1","","Fujita, Hikaru; Zhang, Yunlong; Wu, Zhiyuan; Lindsey, Jonathan S.","Chromogenic agents built around a multifunctional double-triazine framework for enzymatically triggered cross-linking under physiological conditions","New Journal of Chemistry","2020","44","10","3856","3867","10.1039/C9NJ06187H","","","0.71073","MoKα","","0.0328","0.0291","","","0.0691","0.071","","","","","","1.024","","","","has coordinates","257656","2020-10-21","18:00:00",""
"7059326","11.1399","0.0009","11.1399","0.0009","30.495","0.005","90","","90","","120","","3277.3","0.7","296","2","296.15","","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C H38 B24 K15 N2 Na O68 -","- C H37.9998 B24 K15 N2 Na O67.998 -","- C2 H75.9996 B48 K30 N4 Na2 O135.996 -","2","0.166667","","Cao, Yuchen; Zhang, Bingbing; Liu, Hongkun; Li, Danni; Wang, Ying","NaK15[B4O5(OH)4]6(NO2)2(CO3)·7H2O: assembly of an unprecedented mixed anion inorganic compound via a facile hydrothermal route","New Journal of Chemistry","2020","44","11","4253","4256","10.1039/D0NJ00249F","","","0.71073","MoKα","","0.0384","0.0316","","","0.0801","0.0844","","","","","","1.106","","","","has coordinates,has disorder","257891","2020-10-21","18:00:00",""
"7059327","7.7206","0.0015","13.742","0.003","14.038","0.003","94.322","0.009","90.117","0.009","90.02","0.009","1485.1","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","2","","Kundu, Arijit; Bhattacharyya, Bhaswati; Dhara, Kaliprasanna; Paul, Subhabrata; Majumder, Indira; Kundu, Rita","An unorthodox metal-free synthesis of dihydro-6H-quinoline-5-ones in ethanol/water using a non-nucleophilic base and their cytotoxic studies on human cancer cell line","New Journal of Chemistry","2020","44","12","4898","4906","10.1039/C9NJ06346C","","","0.71073","MoKα","","0.0845","0.0662","","","0.1859","0.2086","","","","","","1.025","","","","has coordinates","257895","2020-10-21","18:00:00",""
"7059328","9.986","0.0006","11.5723","0.0007","18.8463","0.0011","90","","98.713","0.002","90","","2152.8","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 O4 -","- C25 H28 O4 -","- C100 H112 O16 -","4","1","","Kundu, Arijit; Bhattacharyya, Bhaswati; Dhara, Kaliprasanna; Paul, Subhabrata; Majumder, Indira; Kundu, Rita","An unorthodox metal-free synthesis of dihydro-6H-quinoline-5-ones in ethanol/water using a non-nucleophilic base and their cytotoxic studies on human cancer cell line","New Journal of Chemistry","2020","44","12","4898","4906","10.1039/C9NJ06346C","","","0.71073","MoKα","","0.0728","0.0493","","","0.1354","0.1525","","","","","","1.029","","","","has coordinates","257895","2020-10-21","18:00:00",""
"7059329","27.476","0.004","16.376","0.003","18.658","0.003","90","","126.789","0.003","90","","6723.2","1.9","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 Cd Cl4 N4 -","- C32 H38 Cd Cl4 N4 -","- C256 H304 Cd8 Cl32 N32 -","8","1","","Xu, Weitao; Deng, Xinyu; Xiao, Xin; Bian, Bing; Chen, Qing; Dalgarno, Scott J.; Tao, Zhu; Redshaw, Carl","Supramolecular assemblies controlled by cucurbit[n]uril size (n = 6, 7, 8 and 10)","New Journal of Chemistry","2020","44","11","4311","4318","10.1039/D0NJ00087F","","","0.71073","MoKα","","0.0757","0.0369","","","0.0616","0.0731","","","","","","1.019","","","","has coordinates,has disorder","257892","2020-10-21","18:00:00",""
"7059330","32.023","0.003","22.025","0.002","28.035","0.003","90","","90","","90","","19773","3","223","2","222.98","","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C112 H146 Cl16 N66 Na2 O45 Zn4 -","- C112 H114 Cl16 N65.5 Na2 O40 Zn4 -","- C448 H456 Cl64 N262 Na8 O160 Zn16 -","4","0.25","","Xu, Weitao; Deng, Xinyu; Xiao, Xin; Bian, Bing; Chen, Qing; Dalgarno, Scott J.; Tao, Zhu; Redshaw, Carl","Supramolecular assemblies controlled by cucurbit[n]uril size (n = 6, 7, 8 and 10)","New Journal of Chemistry","2020","44","11","4311","4318","10.1039/D0NJ00087F","","","0.71073","MoKα","","0.0989","0.0845","","","0.2562","0.2777","","","","","","1.021","","","","has coordinates,has disorder","257892","2020-10-21","18:00:00",""
"7059331","20.6911","0.0004","32.6874","0.0006","20.6631","0.0004","90","","100.9","0.001","90","","13723.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H79 Cd3 Cl11 N34 O20 -","- C60 H60 Cd3 Cl11 N33 O16 -","- C240 H240 Cd12 Cl44 N132 O64 -","4","1","","Xu, Weitao; Deng, Xinyu; Xiao, Xin; Bian, Bing; Chen, Qing; Dalgarno, Scott J.; Tao, Zhu; Redshaw, Carl","Supramolecular assemblies controlled by cucurbit[n]uril size (n = 6, 7, 8 and 10)","New Journal of Chemistry","2020","44","11","4311","4318","10.1039/D0NJ00087F","","","1.54178","CuKα","","0.0594","0.0562","","","0.1762","0.18","","","","","","1.071","","","","has coordinates,has disorder","257892","2020-10-21","18:00:00",""
"7059332","18.023","0.003","28.059","0.004","18.04","0.003","90","","118.573","0.006","90","","8012","2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H89 La2 N15 O18 -","- C74 H89 La2 N15 O18 -","- C296 H356 La8 N60 O72 -","4","1","","Hou, Wei; Wang, Gang; Wu, Xiaojing; Sun, Shuoyi; Zhao, Chunyang; Liu, Wei-Sheng; Pan, Fuxing","Lanthanide clusters as highly efficient catalysts regarding carbon dioxide activation","New Journal of Chemistry","2020","44","13","5019","5022","10.1039/C9NJ05831A","","","1.54178","CuKα","","0.0589","0.0496","","","0.1265","0.1337","","","","","","1.027","","","","has coordinates,has disorder","257806","2020-10-21","18:00:00",""
"7059333","17.7253","0.0015","27.7358","0.0015","17.9572","0.0017","90","","117.705","0.011","90","","7816.1","1.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H86 N14 Nd2 O18 -","- C72 H86 N14 Nd2 O18 -","- C288 H344 N56 Nd8 O72 -","4","1","","Hou, Wei; Wang, Gang; Wu, Xiaojing; Sun, Shuoyi; Zhao, Chunyang; Liu, Wei-Sheng; Pan, Fuxing","Lanthanide clusters as highly efficient catalysts regarding carbon dioxide activation","New Journal of Chemistry","2020","44","13","5019","5022","10.1039/C9NJ05831A","","x-ray","0.71073","MoKα","","0.1068","0.0725","","","0.1306","0.1475","","","","","","1.071","","","","has coordinates,has disorder","257806","2020-10-21","18:00:00",""
"7059334","17.8528","0.0008","27.9296","0.0011","17.874","0.0008","90","","118.089","0.002","90","","7862.6","0.6","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H89 N15 O18 Sm2 -","- C74 H89 N15 O18 Sm2 -","- C296 H356 N60 O72 Sm8 -","4","1","","Hou, Wei; Wang, Gang; Wu, Xiaojing; Sun, Shuoyi; Zhao, Chunyang; Liu, Wei-Sheng; Pan, Fuxing","Lanthanide clusters as highly efficient catalysts regarding carbon dioxide activation","New Journal of Chemistry","2020","44","13","5019","5022","10.1039/C9NJ05831A","","","0.71073","MoKα","","0.0776","0.0466","","","0.1057","0.1216","","","","","","1.068","","","","has coordinates,has disorder","257806","2020-10-21","18:00:00",""
"7059335","11.1941","0.0006","12.9126","0.0007","16.5167","0.0009","90","","93.965","0.005","90","","2381.7","0.2","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 Co N3 O4 -","- C29 H24 Co N3 O4 -","- C116 H96 Co4 N12 O16 -","4","1","","Aguilar, Carlos Alberto Huerta; Narayanan, Jayanthi; López, José Abraham Balderas; Flores-Alamo, Marcos; Contreras, Enrique Fernando Velázquez; Gastélum, Karla Alejandra López; Alonzo, Fernando Rocha; Cabrera, Cristian Brayan Palacios; Cuevas, Alan Javier Santiago","Enhanced photocatalytic degradation of 2-thiobenzimidazole by the tris(8-quinolinolato)cobalt(iii) complex through peroxide adduct formation: theoretical and experimental investigations","New Journal of Chemistry","2020","44","12","4786","4797","10.1039/C9NJ04027G","","","0.71073","MoKα","","0.0877","0.0539","","","0.1116","0.1298","","","","","","1.027","","","","has coordinates","257897","2020-10-21","18:00:00",""
"7059336","8.9037","0.0001","21.8489","0.0003","7.864","0.0001","90","","100.688","0.001","90","","1503.29","0.03","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","","Bera, Anirban; Ali, Sk Asraf; Manna, Susanta Kumar; Ikbal, Mohammed; Misra, Sandip; Saha, Amit; Samanta, Shubhankar","A solvent- and catalyst-free tandem reaction: synthesis, and photophysical and biological applications of isoindoloquinazolinones","New Journal of Chemistry","2020","44","11","4324","4331","10.1039/C9NJ05808G","","","1.54184","","","0.038872","0.037151","","","","0.098534","","","","","","1.0443","","","","has coordinates","257888","2020-10-21","18:00:00",""
"7059337","13.2175","0.0005","13.7136","0.0005","16.328","0.0006","77.35","0.001","75.959","0.001","77.659","0.001","2760.87","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H52 Mo24 N30 O82 P2 -","- C45 H48 Mo24 N30 O82 P2 -","- C45 H48 Mo24 N30 O82 P2 -","1","0.5","","Tian, Yuan; Wang, Xiu-Li; Luan, Jian; Lin, Hong-Yan; Chang, Zhi-Han; Wang, Xiang; Liu, Guo-Cheng","CNTs synthesized with polyoxometalate-based metal‒organic compounds as catalyst precursors via the CVD method and their adsorption performance towards organic dyes","New Journal of Chemistry","2020","44","14","5508","5512","10.1039/C9NJ06331E","","","0.71073","MoKα","","0.0405","0.0279","","","0.0625","0.0668","","","","","","1.036","","","","has coordinates,has disorder","257811","2020-10-21","18:00:00",""
"7059338","13.0834","0.0006","13.267","0.0006","27.2938","0.0012","90","","90.027","0.001","90","","4737.6","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Ag Mo12 N10 O42 P -","- C15 H20 Ag Mo12 N10 O42 P -","- C60 H80 Ag4 Mo48 N40 O168 P4 -","4","1","","Tian, Yuan; Wang, Xiu-Li; Luan, Jian; Lin, Hong-Yan; Chang, Zhi-Han; Wang, Xiang; Liu, Guo-Cheng","CNTs synthesized with polyoxometalate-based metal‒organic compounds as catalyst precursors via the CVD method and their adsorption performance towards organic dyes","New Journal of Chemistry","2020","44","14","5508","5512","10.1039/C9NJ06331E","","","0.71073","MoKα","","0.0382","0.0284","","","0.0592","0.0625","","","","","","1.014","","","","has coordinates,has disorder","257811","2020-10-21","18:00:00",""
"7059339","13.2392","0.0009","13.5007","0.0009","16.4862","0.0011","92.217","0.002","91.518","0.002","100.322","0.002","2895.2","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H60 Ag4 Mo24 N30 O82 P2 -","- C51 H54 Ag4 Mo24 N30 O82 P2 -","- C51 H54 Ag4 Mo24 N30 O82 P2 -","1","0.5","","Tian, Yuan; Wang, Xiu-Li; Luan, Jian; Lin, Hong-Yan; Chang, Zhi-Han; Wang, Xiang; Liu, Guo-Cheng","CNTs synthesized with polyoxometalate-based metal‒organic compounds as catalyst precursors via the CVD method and their adsorption performance towards organic dyes","New Journal of Chemistry","2020","44","14","5508","5512","10.1039/C9NJ06331E","","","0.71073","MoKα","","0.1376","0.056","","","0.0934","0.1245","","","","","","0.973","","","","has coordinates,has disorder","257811","2020-10-21","18:00:00",""
"7059340","10.7949","0.0005","12.2875","0.0006","13.5197","0.0006","75.981","0.001","67.883","0.001","75.658","0.001","1587.22","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H28 Ag3 Mo12 N20 O40 P -","- C30 H28 Ag3 Mo12 N20 O40 P -","- C30 H28 Ag3 Mo12 N20 O40 P -","1","0.5","","Tian, Yuan; Wang, Xiu-Li; Luan, Jian; Lin, Hong-Yan; Chang, Zhi-Han; Wang, Xiang; Liu, Guo-Cheng","CNTs synthesized with polyoxometalate-based metal‒organic compounds as catalyst precursors via the CVD method and their adsorption performance towards organic dyes","New Journal of Chemistry","2020","44","14","5508","5512","10.1039/C9NJ06331E","","","0.71073","MoKα","","0.0562","0.0442","","","0.092","0.0992","","","","","","1.025","","","","has coordinates","257811","2020-10-21","18:00:00",""
"7059341","8.503","0.0005","10.8824","0.0008","11.7661","0.001","114.768","0.008","90.404","0.006","92.966","0.005","986.78","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Cu N4 O2 -","- C41.9994 H47.9982 Cu N4 O2 -","- C41.9994 H47.9982 Cu N4 O2 -","1","0.5","","Nasibipour, Mina; Safaei, Elham; Wrzeszcz, Grzegorz; Wojtczak, Andrzej","Tuning of the redox potential and catalytic activity of a new Cu(ii) complex by o-iminobenzosemiquinone as an electron-reservoir ligand","New Journal of Chemistry","2020","44","11","4426","4439","10.1039/C9NJ06396J","","","0.71073","MoKα","","0.0799","0.0554","","","0.1439","0.1741","","","","","","1.003","","","","has coordinates,has disorder","257890","2020-10-21","18:00:00",""
"7059342","12.179","0.0006","12.3643","0.0003","12.9592","0.0004","66.866","0.003","84.414","0.003","75.822","0.003","1739.88","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 Cl2 N6 O Pt -","- C30 H36 Cl2 N6 O Pt -","- C60 H72 Cl4 N12 O2 Pt2 -","2","1","","Serebryanskaya, Tatiyana V.; Kinzhalov, Mikhail A.; Bakulev, Vladimir; Alekseev, Georgii; Andreeva, Anastasiya; Gushchin, Pavel V.; Protas, Aleksandra V.; Smirnov, Andrey S.; Panikorovskii, Taras L.; Lippmann, Petra; Ott, Ingo; Verbilo, Cyril M.; Zuraev, Alexander V.; Bunev, Alexander S.; Boyarskiy, Vadim P.; Kasyanenko, Nina A.","Water soluble palladium(ii) and platinum(ii) acyclic diaminocarbene complexes: solution behavior, DNA binding, and antiproliferative activity","New Journal of Chemistry","2020","44","15","5762","5773","10.1039/D0NJ00060D","","x-ray","1.54184","CuKα","","0.0706","0.0643","","","0.1723","0.1763","","","","","","1.073","","","","has coordinates","257844","2020-10-21","18:00:00",""
"7059343","12.1819","0.0008","12.3676","0.0007","12.8999","0.0007","66.979","0.005","84.114","0.005","75.288","0.005","1730.08","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H78 Br6 Cl4 N12 O2 Pd2 -","- C63 H78 Br6 Cl4 N12 O2 Pd2 -","- C63 H78 Br6 Cl4 N12 O2 Pd2 -","1","0.5","","Serebryanskaya, Tatiyana V.; Kinzhalov, Mikhail A.; Bakulev, Vladimir; Alekseev, Georgii; Andreeva, Anastasiya; Gushchin, Pavel V.; Protas, Aleksandra V.; Smirnov, Andrey S.; Panikorovskii, Taras L.; Lippmann, Petra; Ott, Ingo; Verbilo, Cyril M.; Zuraev, Alexander V.; Bunev, Alexander S.; Boyarskiy, Vadim P.; Kasyanenko, Nina A.","Water soluble palladium(ii) and platinum(ii) acyclic diaminocarbene complexes: solution behavior, DNA binding, and antiproliferative activity","New Journal of Chemistry","2020","44","15","5762","5773","10.1039/D0NJ00060D","","x-ray","1.54184","CuKα","","0.0776","0.0707","","","0.1933","0.207","","","","","","1.02","","","","has coordinates,has disorder","257844","2020-10-21","18:00:00",""
"7059344","7.4088","0.0003","11.118","0.0005","28.8723","0.0013","90","","90.7604","0.0014","90","","2378.03","0.18","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Cl N2 O4 -","- C27 H23 Cl N2 O4 -","- C108 H92 Cl4 N8 O16 -","4","1","","Jiang, Wang; Sun, Jing; Yan, Chao-Guo","Selective construction of functionalized chromeno[3,4-b]pyrroles and benzo[c]chromenes via a K3PO4 promoted three-component reaction","New Journal of Chemistry","2020","44","15","5720","5724","10.1039/C9NJ05693A","","","0.71073","MoKα","","0.0682","0.0421","","","0.0871","0.0978","","","","","","1.05","","","","has coordinates","257846","2020-10-21","18:00:00",""
"7059345","8.371","0.003","22.101","0.01","22.37","0.014","90","","90.02","","90","","4139","4","297.3","0.5","297.3","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Br N3 O4 V -","- C18 H21 Br N3 O4 V -","- C144 H168 Br8 N24 O32 V8 -","8","2","","Kurbah, Sunshine Dominic; Lal, Ram A.","Bioinspired catalysis and bromoperoxidase like activity of a multistimuli-responsive supramolecular metallogel: supramolecular assembly triggered by pi‒pi stacking and hydrogen bonding interactions","New Journal of Chemistry","2020","44","14","5410","5418","10.1039/C9NJ05732C","","x-ray","0.71073","MoKα","","0.1944","0.1056","","","0.2507","0.2989","","","","","","1.061","","","","has coordinates","257808","2020-10-21","18:00:00",""
"7059346","11.7767","0.0016","9.1218","0.0013","9.7623","0.0014","90","","106.287","0.003","90","","1006.6","0.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O2 S -","- C10 H11 N O2 S -","- C40 H44 N4 O8 S4 -","4","1","","Channar, Pervaiz Ali; Saeed, Aamer; Larik, Fayaz Ali; Flörke, Ulrich; El-Seedi, Hesham; Rodríguez Pirani, Lucas S.; Erben, Mauricio F.","An intramolecular 1,5-chalcogen bond on the conformational preference of carbonyl thiocarbamate species","New Journal of Chemistry","2020","44","14","5243","5253","10.1039/C9NJ06417F","","","0.71073","MoKα","","0.0387","0.0344","","","0.0945","0.0982","","","","","","1.025","","","","has coordinates","257810","2020-10-21","18:00:00",""
"7059347","11.7032","0.0018","8.7287","0.0013","9.8686","0.0015","90","","111.415","0.003","90","","938.5","0.2","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 F N O2 S -","- C9 H8 F N O2 S -","- C36 H32 F4 N4 O8 S4 -","4","1","","Channar, Pervaiz Ali; Saeed, Aamer; Larik, Fayaz Ali; Flörke, Ulrich; El-Seedi, Hesham; Rodríguez Pirani, Lucas S.; Erben, Mauricio F.","An intramolecular 1,5-chalcogen bond on the conformational preference of carbonyl thiocarbamate species","New Journal of Chemistry","2020","44","14","5243","5253","10.1039/C9NJ06417F","","","0.71073","MoKα","","0.038","0.0328","","","0.0865","0.0902","","","","","","1.036","","","","has coordinates","257810","2020-10-21","18:00:00",""
"7059348","9.8979","0.0002","14.8359","0.0004","7.3795","0.0001","90","","105.826","0.001","90","","1042.56","0.04","300","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","iron methylpyridine pentacyanonitrosilferrates (II)","","- C17 Fe2 N8 O -","- C17 Fe2 N8 O -","- C34 Fe4 N16 O2 -","2","1","","Avila, Y.; Crespo, P. M.; Plasencia, Y.; Mojica, H. R.; Rodríguez-Hernández, J.; Reguera, E.","Thermally induced spin crossover in Fe(PyrDer)2[Fe(CN)5NO] with PyrDer = 4-substituted pyridine derivatives","New Journal of Chemistry","2020","44","15","5937","5946","10.1039/D0NJ00595A","","","","","","","","","","","","","","","","","","","","","has coordinates","257845","2020-10-21","18:00:00",""
"7059349","21.2004","0.0002","15.0384","0.0002","7.2541","0.0001","90","","90","","90","","2312.75","0.05","300","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","iron Acetylpyridine pentacyanonitrosilferrates (II)","","- C19 Fe2 N8 O3 -","- C19 Fe2 N8 O3 -","- C76 Fe8 N32 O12 -","4","1","","Avila, Y.; Crespo, P. M.; Plasencia, Y.; Mojica, H. R.; Rodríguez-Hernández, J.; Reguera, E.","Thermally induced spin crossover in Fe(PyrDer)2[Fe(CN)5NO] with PyrDer = 4-substituted pyridine derivatives","New Journal of Chemistry","2020","44","15","5937","5946","10.1039/D0NJ00595A","","","","","","","","","","","","","","","","","","","","","has coordinates","257845","2020-10-21","18:00:00",""
"7059350","7.3006","0.0001","14.8714","0.0002","9.7573","0.0002","90","","102.062","0.001","90","","1035.96","0.03","300","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","iron pyridinecarboxaldehyde pentacyanonitrosilferrates (II)","","- C17 Fe2 N8 O3 -","- C17 Fe2 N8 O3 -","- C34 Fe4 N16 O6 -","2","1","","Avila, Y.; Crespo, P. M.; Plasencia, Y.; Mojica, H. R.; Rodríguez-Hernández, J.; Reguera, E.","Thermally induced spin crossover in Fe(PyrDer)2[Fe(CN)5NO] with PyrDer = 4-substituted pyridine derivatives","New Journal of Chemistry","2020","44","15","5937","5946","10.1039/D0NJ00595A","","","","","","","","","","","","","","","","","","","","","has coordinates","257845","2020-10-21","18:00:00",""
"7059351","7.2712","0.0002","15.0207","0.0004","10.7144","0.0002","90","","110.2","0.01","90","","1098.23","0.08","300","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","iron vinylpyridine pentacyanonitrosilferrates (II)","","- C19 Fe2 N8 O -","- C19 Fe2 N8 O -","- C38 Fe4 N16 O2 -","2","1","","Avila, Y.; Crespo, P. M.; Plasencia, Y.; Mojica, H. R.; Rodríguez-Hernández, J.; Reguera, E.","Thermally induced spin crossover in Fe(PyrDer)2[Fe(CN)5NO] with PyrDer = 4-substituted pyridine derivatives","New Journal of Chemistry","2020","44","15","5937","5946","10.1039/D0NJ00595A","","","","","","","","","","","","","","","","","","","","","has coordinates","257845","2020-10-21","18:00:00",""
"7059352","10.685","0.003","13.039","0.003","13.504","0.003","104.075","0.001","103.729","0.003","108.671","0.003","1624","0.7","173.15","","173.15","","","","","","","","","3","P -1","-P 1","2","","(E)-1-(2-(anthracen-9-yl)vinyl)-1-methyl-2,3,4,5-tetraphenyl-1H-Silole","","- C45 H34 Si -","- C45 H34 Si -","- C90 H68 Si2 -","2","1","","Cao, Ruiqi; Ai, Liqing; Yang, Hongxia; Li, Shuhong; Xu, Caihong","Aggregation-tuned dual emission of silole derivatives: synthesis, crystal structure, and photophysical properties","New Journal of Chemistry","2020","44","13","5049","5055","10.1039/D0NJ00341G","","","0.71073","MoKα","","0.0649","0.0582","","","0.1751","0.1803","","","","","","1.3","","","","has coordinates","257805","2020-10-21","18:00:00",""
"7059353","11.17","0.002","12.894","0.003","17.928","0.004","73.46","0.03","73.56","0.03","76.03","0.03","2337.4","1","173","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-1-methyl-2, 3, 4, 5-tetraphenyl-1-(4-(1, 2, 2-triphenylvinyl)styryl)-1H-silole","","- C61 H52 O Si -","- C57 H44 Si -","- C114 H88 Si2 -","2","1","","Cao, Ruiqi; Ai, Liqing; Yang, Hongxia; Li, Shuhong; Xu, Caihong","Aggregation-tuned dual emission of silole derivatives: synthesis, crystal structure, and photophysical properties","New Journal of Chemistry","2020","44","13","5049","5055","10.1039/D0NJ00341G","","","0.71073","MoKα","","0.0891","0.0765","","","0.147","0.1536","","","","","","1.142","","","","has coordinates","257805","2020-10-21","18:00:00",""
"7059354","10.39","0.003","11.261","0.003","16.275","0.004","97.171","0.002","103.23","0.003","111.096","0.003","1683.8","0.8","173.15","","173.15","","","","","","","","","3","P -1","-P 1","2","","(E)-1-methyl-2,3,4,5-tetraphenyl-1-(2-(pyren-1-yl)vinyl-1H-silole","","- C47 H34 Si -","- C47 H34 Si -","- C94 H68 Si2 -","2","1","","Cao, Ruiqi; Ai, Liqing; Yang, Hongxia; Li, Shuhong; Xu, Caihong","Aggregation-tuned dual emission of silole derivatives: synthesis, crystal structure, and photophysical properties","New Journal of Chemistry","2020","44","13","5049","5055","10.1039/D0NJ00341G","","","0.71073","MoKα","","0.0665","0.0572","","","0.1156","0.12","","","","","","1.134","","","","has coordinates","257805","2020-10-21","18:00:00",""
"7059355","14.2281","0.0007","13.2389","0.0005","19.1915","0.0009","90","","109.357","0.004","90","","3410.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H12 F18 N3 O6 Sm -","- C27 H12 F18 N3 O6 Sm -","- C108 H48 F72 N12 O24 Sm4 -","4","1","","Ilmi, Rashid; Kansız, Sevgi; Al-Rasbi, Nawal K.; Dege, Necmi; Raithby, Paul R.; Khan, Muhammad S.","Towards white light emission from a hybrid thin film of a self-assembled ternary samarium(iii) complex","New Journal of Chemistry","2020","44","15","5673","5683","10.1039/C9NJ06287D","","","0.71073","MoKα","","0.0546","0.0426","","","0.1116","0.1176","","","","","","1.022","","","","has coordinates","257841","2020-10-21","18:00:00",""
"7059356","17.9271","0.0009","13.5236","0.0007","22.1821","0.0011","90","","98.955","0.001","90","","5312.3","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C79 H124 Cu6 N12 O13 P6 S12 -","- C79 H124 Cu6 N12 O13 P6 S12 -","- C158 H248 Cu12 N24 O26 P12 S24 -","2","1","","Metlushka, Kirill E.; Sadkova, Dilyara N.; Nikitina, Kristina A.; Pashagin, Alexander V.; Khrizanforov, Mikhail N.; Budnikova, Yulia H.; Morozov, Vladimir I.; Islamov, Daut R.; Latypov, Shamil K.; Kataeva, Olga N.; Alfonsov, Vladimir A.","Synthesis of the first chiral polynuclear copper(i) complex based on (R)-1-(1-phenyl)ethyl-3-(O,O-diethylthiophosphoryl)thiourea and its characterization in the solid state and solution","New Journal of Chemistry","2020","44","8","3224","3231","10.1039/C9NJ05683A","","","0.71073","MoKα","","0.0469","0.0419","","","0.1051","0.1082","","","","","","1.066","","","","has coordinates,has disorder","257693","2020-10-21","18:00:00",""
"7059357","8.5903","0.001","11.9318","0.0012","13.5523","0.0011","74.564","0.008","84.335","0.008","71.586","0.01","1270.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H17 Cl Cu N5 O5 -","- C24 H17 Cl Cu N5 O5 -","- C48 H34 Cl2 Cu2 N10 O10 -","2","1","","Xi, Wei; Song, Fu-Qiang; Xia, Xue-Li; Song, Xue-Qin","Tuned structure and DNA binding properties of metal complexes based on a new 4-acylpyrazolone derivative","New Journal of Chemistry","2020","44","6","2281","2290","10.1039/C9NJ05948B","","","0.71","MoKα","","0.0692","0.0533","","","0.1372","0.1555","","","","","","1.032","","","","has coordinates","298703","2025-04-03","05:34:16",""
"7059358","10.714","0.0005","11.3202","0.0006","11.9538","0.0007","114.677","0.006","91.405","0.004","102.244","0.004","1276.96","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H50 Cu2 N10 O14 -","- C52 H50 Cu2 N10 O14 -","- C52 H50 Cu2 N10 O14 -","1","0.5","","Xi, Wei; Song, Fu-Qiang; Xia, Xue-Li; Song, Xue-Qin","Tuned structure and DNA binding properties of metal complexes based on a new 4-acylpyrazolone derivative","New Journal of Chemistry","2020","44","6","2281","2290","10.1039/C9NJ05948B","","","0.71073","MoKα","","0.0489","0.0415","","","0.1278","0.1392","","","","","","0.968","","","","has coordinates","257760","2020-10-21","18:00:00",""
"7059359","12.161","0.002","12.523","0.003","17.883","0.004","90","","95.07","0.03","90","","2712.8","1","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Mn N5 O8 -","- C26 H26 Mn N5 O8 -","- C104 H104 Mn4 N20 O32 -","4","1","","Xi, Wei; Song, Fu-Qiang; Xia, Xue-Li; Song, Xue-Qin","Tuned structure and DNA binding properties of metal complexes based on a new 4-acylpyrazolone derivative","New Journal of Chemistry","2020","44","6","2281","2290","10.1039/C9NJ05948B","","","0.71073","MoKα","","0.1323","0.0618","","","0.13","0.1433","","","","","","1.104","","","","has coordinates","257760","2020-10-21","18:00:00",""
"7059360","7.3274","0.0004","11.8379","0.0006","13.4518","0.0007","91.845","0.001","90.549","0.001","106.416","0.001","1118.46","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 Cl2 Fe N3 O3 -","- C22 H24 Cl2 Fe N3 O3 -","- C44 H48 Cl4 Fe2 N6 O6 -","2","1","","Vailati, Andrei F.; Huelsmann, Ricardo D.; Martendal, Edmar; Bortoluzzi, Adailton J.; Xavier, Fernando R.; Peralta, Rosely A.","Multivariate analysis applied to oxidation of cyclohexane and benzyl alcohol promoted by mononuclear iron and copper complexes","New Journal of Chemistry","2020","44","6","2514","2526","10.1039/C9NJ05534G","","","0.71073","MoKα","","0.0534","0.0332","","","0.0729","0.0811","","","","","","1.007","","","","has coordinates","257762","2020-10-21","18:00:00",""
"7059361","8.2885","0.0003","12.7238","0.0005","19.7297","0.0007","90","","100.98","0.001","90","","2042.63","0.13","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cl Cu N3 O3 -","- C21 H22 Cl Cu N3 O3 -","- C84 H88 Cl4 Cu4 N12 O12 -","4","1","","Vailati, Andrei F.; Huelsmann, Ricardo D.; Martendal, Edmar; Bortoluzzi, Adailton J.; Xavier, Fernando R.; Peralta, Rosely A.","Multivariate analysis applied to oxidation of cyclohexane and benzyl alcohol promoted by mononuclear iron and copper complexes","New Journal of Chemistry","2020","44","6","2514","2526","10.1039/C9NJ05534G","","","0.71073","MoKα","","0.0512","0.0345","","","0.0769","0.0836","","","","","","1.057","","","","has coordinates","257762","2020-10-21","18:00:00",""
"7059362","7.768","0.004","7.768","0.004","5.56","0.006","90","","90","","90","","335.5","0.4","296","2","296","2","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","","- Cs0.36 F7 K2.64 Si -","- Cs0.36 F7 K2.64 Si -","- Cs0.72 F14 K5.28 Si2 -","2","0.125","","Huang, Shuzhao; Gao, Le; Yu, Feng","K2.64Cs0.36SiF7: a new fluorosilicate with a trans-perovskite structure","New Journal of Chemistry","2020","44","7","2727","2732","10.1039/C9NJ06037E","","","0.71073","MoKα","","0.0571","0.0448","","","0.1016","0.1068","","","","","","1.086","","","","has coordinates","257815","2020-10-21","18:00:00",""
"7059363","8.2138","0.0004","11.5106","0.0006","16.237","0.0009","93.013","0.004","96.577","0.004","93.489","0.004","1519.46","0.14","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 Cl2 N4 Se2 Zn -","- C30 H28 Cl2 N4 Se2 Zn -","- C60 H56 Cl4 N8 Se4 Zn2 -","2","1","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Homoleptic and heteroleptic Zn(ii) selone catalysts for thioetherification of aryl halides without scrubbing oxygen","New Journal of Chemistry","2020","44","9","3574","3583","10.1039/C9NJ05818D","","","1.54184","CuKα","","0.0369","0.0306","","","0.0772","0.0824","","","","","","1.0632","","","","has coordinates","257822","2020-10-21","18:00:00",""
"7059364","12.6182","0.0009","12.6356","0.0009","15.6832","0.0012","67.891","0.007","68.825","0.007","89.725","0.006","2135.2","0.3","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H48 Cl2 N8 O8 Se4 Zn -","- C28 H48 Cl2 N8 O8 Se4 Zn -","- C56 H96 Cl4 N16 O16 Se8 Zn2 -","2","1","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Homoleptic and heteroleptic Zn(ii) selone catalysts for thioetherification of aryl halides without scrubbing oxygen","New Journal of Chemistry","2020","44","9","3574","3583","10.1039/C9NJ05818D","","","1.54184","CuKα","","0.0948","0.0775","","","0.2058","0.2492","","","","","","1.0564","","","","has coordinates","257822","2020-10-21","18:00:00",""
"7059365","14.3427","0.0006","14.0781","0.0005","21.6645","0.0008","90","","90","","90","","4374.5","0.3","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H24 Br2 N4 Se2 Zn -","- C14 H24 Br2 N4 Se2 Zn -","- C112 H192 Br16 N32 Se16 Zn8 -","8","1","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Homoleptic and heteroleptic Zn(ii) selone catalysts for thioetherification of aryl halides without scrubbing oxygen","New Journal of Chemistry","2020","44","9","3574","3583","10.1039/C9NJ05818D","","x-ray","1.54184","CuKα","","0.1694","0.1307","","","0.3611","0.4641","","","","","","1.6618","","","","has coordinates","257822","2020-10-21","18:00:00",""
"7059366","12.4234","0.0002","12.4234","0.0002","27.7432","0.0011","90","","90","","90","","4281.9","0.2","293","2","293","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C28 H48 B2 F10 N8 Se4 Zn -","- C28 H48 B2 F10 N8 Se4 Zn -","- C112 H192 B8 F40 N32 Se16 Zn4 -","4","0.25","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Homoleptic and heteroleptic Zn(ii) selone catalysts for thioetherification of aryl halides without scrubbing oxygen","New Journal of Chemistry","2020","44","9","3574","3583","10.1039/C9NJ05818D","","","1.54184","CuKα","","0.0695","0.0536","","","0.1478","0.1735","","","","","","1.0413","","","","has coordinates","257822","2020-10-21","18:00:00",""
"7059367","8.355","0.0007","11.584","0.0008","16.3071","0.0011","92.9","0.006","96.6","0.006","92.887","0.006","1563.3","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 Br2 N4 Se2 Zn -","- C30 H28 Br2 N4 Se2 Zn -","- C60 H56 Br4 N8 Se4 Zn2 -","2","1","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Homoleptic and heteroleptic Zn(ii) selone catalysts for thioetherification of aryl halides without scrubbing oxygen","New Journal of Chemistry","2020","44","9","3574","3583","10.1039/C9NJ05818D","","","1.54184","CuKα","","0.0975","0.0691","","","0.2165","0.3002","","","","","","1.1837","","","","has coordinates","298328","2025-03-07","16:31:38",""
"7059368","13.8573","0.0008","23.9482","0.0014","14.3941","0.0008","90","","105.322","0.002","90","","4607","0.5","293.15","","293.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 Cl2 Gd2 N6 Ni2 O20 -","- C26 H40 Cl2 Gd2 N6 Ni2 O20 -","- C104 H160 Cl8 Gd8 N24 Ni8 O80 -","4","1","","Biswas, Mousumi; Sañudo, E. Carolina; Cirera, Jordi; Ray, Debashis","Coordination control of a semicarbazide Schiff base ligand for spontaneous aggregation of a Ni2Ln2 cubane family: influence of ligand arms and carboxylate bridges on the organization of the magnetic core","New Journal of Chemistry","2020","44","12","4812","4821","10.1039/C9NJ05686F","","","0.71073","MoKα","","0.099","0.0687","","","0.2064","0.2301","","","","","","1.026","","","","has coordinates,has disorder","257898","2020-10-21","18:00:00",""
"7059369","13.419","0.017","23.74","0.03","14.18","0.03","90","","103.61","0.03","90","","4390","12","293","2","293.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 Cl2 Dy2 N6 Ni2 O20 -","- C26 H40 Cl2 Dy2 N6 Ni2 O20 -","- C104 H160 Cl8 Dy8 N24 Ni8 O80 -","4","1","","Biswas, Mousumi; Sañudo, E. Carolina; Cirera, Jordi; Ray, Debashis","Coordination control of a semicarbazide Schiff base ligand for spontaneous aggregation of a Ni2Ln2 cubane family: influence of ligand arms and carboxylate bridges on the organization of the magnetic core","New Journal of Chemistry","2020","44","12","4812","4821","10.1039/C9NJ05686F","","","0.71073","MoKα","","0.1183","0.0779","","","0.2168","0.2458","","","","","","1.122","","","","has coordinates","257898","2020-10-21","18:00:00",""
"7059370","13.421","","23.686","","14.348","","90","","100.79","","90","","4480.44","","295.97","","295.97","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 Cl2 Ho2 N6 Ni2 O20 -","- C26 H42 Cl2 Ho2 N6 Ni2 O20 -","- C104 H168 Cl8 Ho8 N24 Ni8 O80 -","4","1","","Biswas, Mousumi; Sañudo, E. Carolina; Cirera, Jordi; Ray, Debashis","Coordination control of a semicarbazide Schiff base ligand for spontaneous aggregation of a Ni2Ln2 cubane family: influence of ligand arms and carboxylate bridges on the organization of the magnetic core","New Journal of Chemistry","2020","44","12","4812","4821","10.1039/C9NJ05686F","","","0.71073","MoKα","","0.0614","0.0391","","","0.0949","0.1039","","","","","","1.063","","","","has coordinates","257898","2020-10-21","18:00:00",""
"7059371","13.757","0.005","24.089","0.014","14.377","0.005","90","","104.228","0.01","90","","4618","4","298.17","","298.17","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 Cl2 N6 Ni2 O20 Tb2 -","- C26 H40 Cl2 N6 Ni2 O20 Tb2 -","- C104 H160 Cl8 N24 Ni8 O80 Tb8 -","4","1","","Biswas, Mousumi; Sañudo, E. Carolina; Cirera, Jordi; Ray, Debashis","Coordination control of a semicarbazide Schiff base ligand for spontaneous aggregation of a Ni2Ln2 cubane family: influence of ligand arms and carboxylate bridges on the organization of the magnetic core","New Journal of Chemistry","2020","44","12","4812","4821","10.1039/C9NJ05686F","","","0.71073","MoKα","","0.0788","0.0607","","","0.1787","0.194","","","","","","1.022","","","","has coordinates","257898","2020-10-21","18:00:00",""
"7059372","22.398","0.005","9.4469","0.0019","7.4776","0.0015","90","","90","","90","","1582.2","0.6","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H16 Cl2 O2 -","- C18 H16 Cl2 O2 -","- C72 H64 Cl8 O8 -","4","1","","Rahmatpour, Ali","Regioselective condensation of hydroxyaromatic compounds with 2,5-dimethoxytetrahydrofuran: facile one-pot synthesis of new substituted diaryl-fused 2,8-dioxabicyclo[3.3.2]nonanes comprising central ketal moieties","New Journal of Chemistry","2020","44","12","4834","4841","10.1039/C9NJ06232G","","","0.71073","MoKα","","0.0762","0.0447","","","0.0688","0.075","","","","","","0.894","","","","has coordinates","257894","2020-10-21","18:00:00",""
"7059373","7.782","0.005","9.41","0.005","11.461","0.005","87.598","0.005","83.605","0.005","77.477","0.005","814.1","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H20 Cu N2 O10 S -","- C10 H20 Cu N2 O10 S -","- C20 H40 Cu2 N4 O20 S2 -","2","1","","Sharma, Pranay; Gogoi, Anshuman; Verma, Akalesh K.; Frontera, Antonio; Bhattacharyya, Manjit K.","Charge-assisted hydrogen bond and nitrile⋯nitrile interaction directed supramolecular associations in Cu(ii) and Mn(ii) coordination complexes: anticancer, hematotoxicity and theoretical studies","New Journal of Chemistry","2020","44","14","5473","5488","10.1039/D0NJ00075B","","","0.71073","MoKα","","0.0303","0.0277","","","0.0733","0.0749","","","","","","1.075","","","","has coordinates","257809","2020-10-21","18:00:00",""
"7059374","17.1442","0.0015","8.3999","0.0008","12.5573","0.0011","90","","94.503","0.004","90","","1802.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Mn N4 O8 S -","- C12 H16 Mn N4 O8 S -","- C48 H64 Mn4 N16 O32 S4 -","4","1","","Sharma, Pranay; Gogoi, Anshuman; Verma, Akalesh K.; Frontera, Antonio; Bhattacharyya, Manjit K.","Charge-assisted hydrogen bond and nitrile⋯nitrile interaction directed supramolecular associations in Cu(ii) and Mn(ii) coordination complexes: anticancer, hematotoxicity and theoretical studies","New Journal of Chemistry","2020","44","14","5473","5488","10.1039/D0NJ00075B","","","0.71073","MoKα","","0.0514","0.0499","","","0.1483","0.1498","","","","","","1.099","","","","has coordinates","257809","2020-10-21","18:00:00",""
"7059375","44.107","0.004","9.4987","0.0008","30.597","0.003","90","","106.471","0.004","90","","12293","2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Catena-[4,4'-((9H-fluoren-9-ylidene)methylene)dipyridine-Copper(I)]","","","- C74 H48 Cu2 N8 -","- C74 H48 Cu2 N8 -","- C592 H384 Cu16 N64 -","8","1","","Zhang, Jinfang; Xia, Hongchen; Ren, Simeng; Jia, Wen; Zhang, Chi","Three AIE-ligand-based Cu(i) coordination polymers: synthesis, structures and luminescence sensing of TNP","New Journal of Chemistry","2020","44","14","5285","5292","10.1039/D0NJ00207K","","","1.54178","CuKα","","0.1115","0.0676","","","0.1864","0.2362","","","","","","1.113","","","","has coordinates","257814","2020-10-21","18:00:00",""
"7059376","21.762","0.002","21.7317","0.0016","9.6199","0.001","90","","90","","90","","4549.5","0.7","150","2","150","2","","","","","","","","6","C c c m","-C 2 2c","66","Catena-[4,4'-((9H-fluoren-9-ylidene)methylene)dipyridine-Copper(I)]","","","- C52 H38 Cu2 N6 O S -","- C52 H38 Cu2 N6 O S -","- C208 H152 Cu8 N24 O4 S4 -","4","0.25","","Zhang, Jinfang; Xia, Hongchen; Ren, Simeng; Jia, Wen; Zhang, Chi","Three AIE-ligand-based Cu(i) coordination polymers: synthesis, structures and luminescence sensing of TNP","New Journal of Chemistry","2020","44","14","5285","5292","10.1039/D0NJ00207K","","","0.71073","MoKα","","0.0688","0.068","","","0.1942","0.1952","","","","","","1.085","","","","has coordinates,has disorder","257814","2020-10-21","18:00:00",""
"7059377","9.0848","0.0019","15.239","0.003","19.032","0.003","90","","90","","90","","2634.9","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Catena-[4,4'-((9H-fluoren-9-ylidene)methylene)dipyridine-Copper(I)]","","","- C30 H29 Cu N4 O2 -","- C30 H29 Cu N4 O2 -","- C120 H116 Cu4 N16 O8 -","4","1","","Zhang, Jinfang; Xia, Hongchen; Ren, Simeng; Jia, Wen; Zhang, Chi","Three AIE-ligand-based Cu(i) coordination polymers: synthesis, structures and luminescence sensing of TNP","New Journal of Chemistry","2020","44","14","5285","5292","10.1039/D0NJ00207K","","","0.71073","MoKα","","0.0663","0.0449","","","0.0928","0.1016","","","","","","1.018","","","","has coordinates","257814","2020-10-21","18:00:00",""
"7059378","34.4256","0.0014","7.6022","0.0003","14.6569","0.0006","90","","99.167","0.006","90","","3786.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 N4 O6 Sn -","- C42 H40 N4 O6 Sn -","- C168 H160 N16 O24 Sn4 -","4","0.5","","Debnath, Paresh; Singh, Keisham Surjit; Singh, Khaidem Kennedy; Sureshkumar Singh, S.; Sieroń, Lesław; Maniukiewicz, Waldemar","Di-butyltin(iv) complexes with azo-carboxylates: synthesis, characterization, crystal structures and their anti-diabetic assay","New Journal of Chemistry","2020","44","15","5862","5872","10.1039/D0NJ00536C","","","0.71073","MoKα","","0.0861","0.0432","","","0.0894","0.1096","","","","","","1.052","","","","has coordinates","257838","2020-10-21","18:00:00",""
"7059379","16.5566","0.0005","4.4701","0.0001","19.8415","0.0006","90","","111.27","0.007","90","","1368.43","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(2-hydroxynaphthylazo)benzoic acid","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C68 H48 N8 O12 -","4","1","","Debnath, Paresh; Singh, Keisham Surjit; Singh, Khaidem Kennedy; Sureshkumar Singh, S.; Sieroń, Lesław; Maniukiewicz, Waldemar","Di-butyltin(iv) complexes with azo-carboxylates: synthesis, characterization, crystal structures and their anti-diabetic assay","New Journal of Chemistry","2020","44","15","5862","5872","10.1039/D0NJ00536C","","","0.71073","MoKα","","0.0988","0.0484","","","0.1053","0.1308","","","","","","1.019","","","","has coordinates","257838","2020-10-21","18:00:00",""
"7059380","8.511","0.0003","14.2959","0.0005","21.9517","0.0008","76.859","0.002","83.682","0.002","73.089","0.002","2485.74","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H58 N4 O8 Sn2 -","- C50 H58 N4 O8 Sn2 -","- C100 H116 N8 O16 Sn4 -","2","1","","Debnath, Paresh; Singh, Keisham Surjit; Singh, Khaidem Kennedy; Sureshkumar Singh, S.; Sieroń, Lesław; Maniukiewicz, Waldemar","Di-butyltin(iv) complexes with azo-carboxylates: synthesis, characterization, crystal structures and their anti-diabetic assay","New Journal of Chemistry","2020","44","15","5862","5872","10.1039/D0NJ00536C","","","0.71073","MoKα","","0.1436","0.0561","","","0.1016","0.151","","","","","","1.065","","","","has coordinates,has disorder","257838","2020-10-21","18:00:00",""
"7059381","12.1753","0.0001","13.8987","0.0001","15.6416","0.0001","103.64","0.001","90.895","0.001","103.259","0.001","2496.86","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C107 H124 N8 O14 Sn4 -","- C107 H124 N8 O14 Sn4 -","- C107 H124 N8 O14 Sn4 -","1","0.5","","Debnath, Paresh; Singh, Keisham Surjit; Singh, Khaidem Kennedy; Sureshkumar Singh, S.; Sieroń, Lesław; Maniukiewicz, Waldemar","Di-butyltin(iv) complexes with azo-carboxylates: synthesis, characterization, crystal structures and their anti-diabetic assay","New Journal of Chemistry","2020","44","15","5862","5872","10.1039/D0NJ00536C","","x-ray","0.71073","MoKα","","0.0319","0.0306","","","0.0811","0.0821","","","","","","1.052","","","","has coordinates,has disorder","257838","2020-10-21","18:00:00",""
"7059382","6.8258","0.0002","23.6441","0.0009","7.0643","0.0002","90","","108.576","0.001","90","","1080.71","0.06","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 Cl N8 O2 -","- C6 H9 Cl N8 O2 -","- C24 H36 Cl4 N32 O8 -","4","1","","Tang, Jie; Yang, Hongwei; Xiong, Hualin; Hu, Wei; Lei, Caijin; Cheng, Guangbin","Combining the furoxanylhydrazone framework with various energetic functionalities to prepare new insensitive energetic materials with 3D-cube layer stacking","New Journal of Chemistry","2020","44","15","5895","5902","10.1039/D0NJ00541J","","","0.71073","MoKα","","0.0715","0.0524","","","0.0908","0.0976","","","","","","1.169","","","","has coordinates","257840","2020-10-21","18:00:00",""
"7059383","9.7415","0.0008","10.0524","0.0007","12.6642","0.001","85.927","0.002","77.591","0.002","69.175","0.002","1132.03","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H17 N19 O8 -","- C12 H17 N19 O8 -","- C24 H34 N38 O16 -","2","1","","Tang, Jie; Yang, Hongwei; Xiong, Hualin; Hu, Wei; Lei, Caijin; Cheng, Guangbin","Combining the furoxanylhydrazone framework with various energetic functionalities to prepare new insensitive energetic materials with 3D-cube layer stacking","New Journal of Chemistry","2020","44","15","5895","5902","10.1039/D0NJ00541J","","","0.71073","MoKα","","0.0887","0.0511","","","0.1089","0.1226","","","","","","1.05","","","","has coordinates","257840","2020-10-21","18:00:00",""
"7059384","12.4819","0.0013","5.2281","0.0005","14.6301","0.0019","90","","94.637","0.004","90","","951.59","0.18","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 N8 O3 -","- C5 H8 N8 O3 -","- C20 H32 N32 O12 -","4","1","","Tang, Jie; Yang, Hongwei; Xiong, Hualin; Hu, Wei; Lei, Caijin; Cheng, Guangbin","Combining the furoxanylhydrazone framework with various energetic functionalities to prepare new insensitive energetic materials with 3D-cube layer stacking","New Journal of Chemistry","2020","44","15","5895","5902","10.1039/D0NJ00541J","","","0.71073","MoKα","","0.1259","0.0578","","","0.113","0.1398","","","","","","1.022","","","","has coordinates","257840","2020-10-21","18:00:00",""
"7059385","7.765","0.003","7.205","0.003","23.573","0.01","90","","94.77","0.015","90","","1314.3","0.9","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H15 N9 O5 -","- C5 H15 N9 O5 -","- C20 H60 N36 O20 -","4","1","","Tang, Jie; Yang, Hongwei; Xiong, Hualin; Hu, Wei; Lei, Caijin; Cheng, Guangbin","Combining the furoxanylhydrazone framework with various energetic functionalities to prepare new insensitive energetic materials with 3D-cube layer stacking","New Journal of Chemistry","2020","44","15","5895","5902","10.1039/D0NJ00541J","","","0.71073","MoKα","","0.0718","0.043","","","0.0865","0.1005","","","","","","1.053","","","","has coordinates","257840","2020-10-21","18:00:00",""
"7059386","15.9751","0.0009","5.4951","0.0003","14.4991","0.0009","90","","103.913","0.002","90","","1235.46","0.12","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Cl N8 O6 -","- C6 H9 Cl N8 O6 -","- C24 H36 Cl4 N32 O24 -","4","1","","Tang, Jie; Yang, Hongwei; Xiong, Hualin; Hu, Wei; Lei, Caijin; Cheng, Guangbin","Combining the furoxanylhydrazone framework with various energetic functionalities to prepare new insensitive energetic materials with 3D-cube layer stacking","New Journal of Chemistry","2020","44","15","5895","5902","10.1039/D0NJ00541J","","","0.71073","MoKα","","0.0415","0.0338","","","0.0719","0.0759","","","","","","1.077","","","","has coordinates,has disorder","257840","2020-10-21","18:00:00",""
"7059387","14.272","0.0013","18.403","0.002","20.5222","0.0019","90","","108.341","0.004","90","","5116.3","0.9","299","2","299","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H106 Au4 Cl10 F24 N16 P4 -","- C65 H106 Au4 Cl10 F24 N16 P4 -","- C130 H212 Au8 Cl20 F48 N32 P8 -","2","0.5","","Baron, Marco; Dall’Anese, Anna; Miolato, Alessandro; Cairoli, Maddalena L. C.; Di Marco, Valerio; Graiff, Claudia; Pöthig, Alexander; Tubaro, Cristina","New homoleptic gold carbene complexes via Ag‒Au transmetalation: synthesis and application of [Au(diNHC)2]3+ cations as 1H-NMR and UV-vis halide sensors","New Journal of Chemistry","2020","44","14","5343","5353","10.1039/C9NJ05809E","","","0.71073","MoKα","","0.1408","0.0966","","","0.225","0.2553","","","","","","1.059","","","","has coordinates,has disorder","257813","2020-10-21","18:00:00",""
"7059388","12.4565","0.0005","12.7075","0.0007","15.2901","0.0009","95.188","0.005","100.081","0.004","92.521","0.004","2368.7","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H44 Au B2 Br F8 N12 O -","- C42 H44 Au B2 Br F8 N12 O -","- C84 H88 Au2 B4 Br2 F16 N24 O2 -","2","1","","Baron, Marco; Dall’Anese, Anna; Miolato, Alessandro; Cairoli, Maddalena L. C.; Di Marco, Valerio; Graiff, Claudia; Pöthig, Alexander; Tubaro, Cristina","New homoleptic gold carbene complexes via Ag‒Au transmetalation: synthesis and application of [Au(diNHC)2]3+ cations as 1H-NMR and UV-vis halide sensors","New Journal of Chemistry","2020","44","14","5343","5353","10.1039/C9NJ05809E","","","0.71069","MoKα","","0.0626","0.0488","","","0.1389","0.1487","","","","","","1.05","","","","has coordinates","257813","2020-10-21","18:00:00",""
"7059389","22.016","0.003","17.33","0.003","10.6014","0.0017","90","","116.972","0.002","90","","3604.9","1","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H31 Au F18 N9 O2 P3 -","- C22 H31 Au F18 N9 O2 P3 -","- C88 H124 Au4 F72 N36 O8 P12 -","4","0.5","","Baron, Marco; Dall’Anese, Anna; Miolato, Alessandro; Cairoli, Maddalena L. C.; Di Marco, Valerio; Graiff, Claudia; Pöthig, Alexander; Tubaro, Cristina","New homoleptic gold carbene complexes via Ag‒Au transmetalation: synthesis and application of [Au(diNHC)2]3+ cations as 1H-NMR and UV-vis halide sensors","New Journal of Chemistry","2020","44","14","5343","5353","10.1039/C9NJ05809E","","","0.71073","MoKα","","0.044","0.0354","","","0.0934","0.0979","","","","","","1.046","","","","has coordinates,has disorder","257813","2020-10-21","18:00:00",""
"7059390","25.004","0.002","10.2313","0.0008","15.9405","0.0015","90","","92.05","0.002","90","","4075.3","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H51 Au Br5 N9 -","- C32 H48 Au Br5 N9 -","- C128 H192 Au4 Br20 N36 -","4","0.5","","Baron, Marco; Dall’Anese, Anna; Miolato, Alessandro; Cairoli, Maddalena L. C.; Di Marco, Valerio; Graiff, Claudia; Pöthig, Alexander; Tubaro, Cristina","New homoleptic gold carbene complexes via Ag‒Au transmetalation: synthesis and application of [Au(diNHC)2]3+ cations as 1H-NMR and UV-vis halide sensors","New Journal of Chemistry","2020","44","14","5343","5353","10.1039/C9NJ05809E","","","0.71073","MoKα","","0.0368","0.026","","","0.061","0.0653","","","","","","0.923","","","","has coordinates,has disorder","257813","2020-10-21","18:00:00",""
"7059391","11.0145","0.0002","11.6955","0.0002","19.4594","0.0004","91.277","0.002","91.719","0.002","117.298","0.003","2224.76","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H51 Au F18 N9 P3 -","- C32 H51 Au F18 N9 P3 -","- C64 H102 Au2 F36 N18 P6 -","2","1","","Baron, Marco; Dall’Anese, Anna; Miolato, Alessandro; Cairoli, Maddalena L. C.; Di Marco, Valerio; Graiff, Claudia; Pöthig, Alexander; Tubaro, Cristina","New homoleptic gold carbene complexes via Ag‒Au transmetalation: synthesis and application of [Au(diNHC)2]3+ cations as 1H-NMR and UV-vis halide sensors","New Journal of Chemistry","2020","44","14","5343","5353","10.1039/C9NJ05809E","","","0.71073","MoKα","","0.0461","0.0303","","","0.0713","0.0813","","","","","","0.866","","","","has coordinates","257813","2020-10-21","18:00:00",""
"7059392","9.281","0.003","14.603","0.004","20.213","0.006","90","","90.385","0.005","90","","2739.4","1.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H106 Au2 I18 N16 O -","- C64 H106 Au2 I18 N16 O -","- C64 H106 Au2 I18 N16 O -","1","0.25","","Baron, Marco; Dall’Anese, Anna; Miolato, Alessandro; Cairoli, Maddalena L. C.; Di Marco, Valerio; Graiff, Claudia; Pöthig, Alexander; Tubaro, Cristina","New homoleptic gold carbene complexes via Ag‒Au transmetalation: synthesis and application of [Au(diNHC)2]3+ cations as 1H-NMR and UV-vis halide sensors","New Journal of Chemistry","2020","44","14","5343","5353","10.1039/C9NJ05809E","","","0.71073","MoKα","","0.0708","0.0536","","","0.1493","0.1562","","","","","","1.006","","","","has coordinates,has disorder","257813","2020-10-21","18:00:00",""
"7059393","10.2116","0.0007","11.6009","0.0008","14.6925","0.001","82.052","0.002","81.09","0.002","72.743","0.002","1634.24","0.19","101","2","100.91","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H40 Au Cl3 N8 O4 S2 -","- C24 H40 Au Cl3 N8 O4 S2 -","- C48 H80 Au2 Cl6 N16 O8 S4 -","2","1","","Baron, Marco; Dall’Anese, Anna; Miolato, Alessandro; Cairoli, Maddalena L. C.; Di Marco, Valerio; Graiff, Claudia; Pöthig, Alexander; Tubaro, Cristina","New homoleptic gold carbene complexes via Ag‒Au transmetalation: synthesis and application of [Au(diNHC)2]3+ cations as 1H-NMR and UV-vis halide sensors","New Journal of Chemistry","2020","44","14","5343","5353","10.1039/C9NJ05809E","","","0.71073","MoKα","","0.0213","0.0179","","","0.0386","0.0398","","","","","","1.08","","","","has coordinates","257813","2020-10-21","18:00:00",""
"7059394","11.2697","0.0007","10.9408","0.0008","12.1483","0.0009","90","","108.229","0.005","90","","1422.71","0.18","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H17 Cu N5 O2 S -","- C11 H17 Cu N5 O2 S -","- C44 H68 Cu4 N20 O8 S4 -","4","1","","Avcu Altiparmak, Elif; Erdemir, Gökçe; Özdemir, Namık; Kuruca, Serap Erdem; Bal-Demirci, Tülay","Cu(ii) salen and 1,2,4-triazole complexes from thiosemicarbazone: synthesis, physicochemical and structural properties and cytotoxic activities","New Journal of Chemistry","2020","44","14","5333","5342","10.1039/C9NJ04455H","","","0.71073","MoKα","","0.0829","0.0463","","","0.1067","0.1211","","","","","","0.941","","","","has coordinates","257812","2020-10-21","18:00:00",""
"7059395","26.6117","0.0012","6.9913","0.0002","14.728","0.0007","90","","97.479","0.004","90","","2716.8","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Cu2 N4 O4 -","- C32 H28 Cu2 N4 O4 -","- C128 H112 Cu8 N16 O16 -","4","0.5","","Avcu Altiparmak, Elif; Erdemir, Gökçe; Özdemir, Namık; Kuruca, Serap Erdem; Bal-Demirci, Tülay","Cu(ii) salen and 1,2,4-triazole complexes from thiosemicarbazone: synthesis, physicochemical and structural properties and cytotoxic activities","New Journal of Chemistry","2020","44","14","5333","5342","10.1039/C9NJ04455H","","","0.71073","MoKα","","0.0518","0.0346","","","0.0778","0.0824","","","","","","0.949","","","","has coordinates","257812","2020-10-21","18:00:00",""
"7059396","10.5855","0.0009","12.1032","0.001","15.3446","0.0013","72.036","0.002","74.699","0.002","86","0.002","1803.7","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Ag10.7 O48 P12 U6 -","- C36 H24 Ag10.706 O48 P12 U6 -","- C36 H24 Ag10.706 O48 P12 U6 -","1","0.5","","Bai, Ru; Chen, Lanhua; Zhang, Yugang; Chen, Long; Diwu, Juan; Wang, Xiao-Feng","The presence of mixed-valent silver in the uranyl phenylenediphosphonate framework","New Journal of Chemistry","2020","44","15","6037","6041","10.1039/D0NJ00573H","","","0.71073","MoKα","","0.0302","0.0284","","","0.0792","0.0805","","","","","","1.045","","","","has coordinates,has disorder","257839","2020-10-21","18:00:00",""
"7059397","5.7787","0.0006","8.8337","0.0008","20.223","0.002","90","","90","","90","","1032.33","0.18","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","1","","Boufroua, Naouel; Dunach, Elisabet; Fontaine-Vive, Fabien; Achouche-Bouzroura, Samia; Poulain-Martini, Sophie","In(OTf)3-catalysed easy access to dihydropyranocoumarin and dihydropyranochromone derivatives","New Journal of Chemistry","2020","44","15","6042","6052","10.1039/D0NJ00080A","","x-ray","0.71073","MoKα","","0.0538","0.0435","","","0.1006","0.1085","","","","","","1.102","","","","has coordinates,has disorder","257837","2020-10-21","18:00:00",""
"7059398","9.9577","0.0007","6.342","0.0004","14.3464","0.0012","90","","98.748","0.008","90","","895.46","0.11","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 O3 -","- C9 H12 O3 -","- C36 H48 O12 -","4","1","","Boufroua, Naouel; Dunach, Elisabet; Fontaine-Vive, Fabien; Achouche-Bouzroura, Samia; Poulain-Martini, Sophie","In(OTf)3-catalysed easy access to dihydropyranocoumarin and dihydropyranochromone derivatives","New Journal of Chemistry","2020","44","15","6042","6052","10.1039/D0NJ00080A","","x-ray","0.71073","MoKα","","0.0768","0.0565","","","0.1458","0.1573","","","","","","1.11","","","","has coordinates,has disorder","257837","2020-10-21","18:00:00",""
"7059399","8.0723","0.0003","17.1909","0.0006","17.1065","0.0008","90","","98.515","0.004","90","","2347.7","0.16","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C112 H112 O24 -","8","2","","Boufroua, Naouel; Dunach, Elisabet; Fontaine-Vive, Fabien; Achouche-Bouzroura, Samia; Poulain-Martini, Sophie","In(OTf)3-catalysed easy access to dihydropyranocoumarin and dihydropyranochromone derivatives","New Journal of Chemistry","2020","44","15","6042","6052","10.1039/D0NJ00080A","","x-ray","0.71073","MoKα","","0.0682","0.0467","","","0.1133","0.1263","","","","","","1.074","","","","has coordinates","292638","2024-06-28","09:33:35",""
"7059400","9.8069","0.0004","10.0568","0.0005","12.781","0.0006","86.854","0.004","70.545","0.004","87.679","0.004","1186.44","0.1","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H28 O6 -","- C28 H28 O6 -","- C56 H56 O12 -","2","1","","Boufroua, Naouel; Dunach, Elisabet; Fontaine-Vive, Fabien; Achouche-Bouzroura, Samia; Poulain-Martini, Sophie","In(OTf)3-catalysed easy access to dihydropyranocoumarin and dihydropyranochromone derivatives","New Journal of Chemistry","2020","44","15","6042","6052","10.1039/D0NJ00080A","","x-ray","0.71073","MoKα","","0.0668","0.0482","","","0.1157","0.1277","","","","","","1.031","","","","has coordinates,has disorder","257837","2020-10-21","18:00:00",""
"7059401","20.2852","0.0007","24.0027","0.0008","19.1159","0.0006","90","","91.595","0.001","90","","9303.9","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44.66 H48.45 Br2 N10 Ni O4.56 -","- C44.659 H48.447 Br2 N10 Ni O4.5645 -","- C357.272 H387.576 Br16 N80 Ni8 O36.516 -","8","2","","Ivanova, A. D.; Korotaev, E. V.; Komarov, V. Yu.; Sheludyakova, L. A.; Varnek, V. A.; Lavrenova, L. G.","Spin-crossover in iron(ii) coordination compounds with 2,6-bis(benzimidazol-2-yl)pyridine","New Journal of Chemistry","2020","44","15","5834","5840","10.1039/D0NJ00474J","","","0.71073","MoKα","","0.1087","0.0567","","","0.1373","0.1612","","","","","","1.018","","","","has coordinates,has disorder","257842","2020-10-21","18:00:00",""
"7059402","4.5941","0.0013","8.419","0.002","8.95","0.003","90","","98.307","0.004","90","","342.53","0.17","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Li Mg O P -","- Li0.5 Mg O5 P1.5 -","- Li2 Mg4 O20 P6 -","4","1","","Qian, Zhen; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Synthesis, structure and characterization of three new Mg-containing phosphates with deep-UV cut-off edges","New Journal of Chemistry","2020","44","17","6771","6777","10.1039/C9NJ06311K","","","0.71073","MoKα","","0.0316","0.0264","","","0.0717","0.075","","","","","","1.093","","","","has coordinates","257733","2020-10-21","18:00:00",""
"7059403","15.6","0.03","5.237","0.009","9.588","0.017","90","","90","","90","","783","2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- K0 Mg O7 P2 Rb2 -","- Mg O7 P2 Rb2 -","- Mg4 O28 P8 Rb8 -","4","0.5","","Qian, Zhen; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Synthesis, structure and characterization of three new Mg-containing phosphates with deep-UV cut-off edges","New Journal of Chemistry","2020","44","17","6771","6777","10.1039/C9NJ06311K","","","0.71073","MoKα","","0.1659","0.0581","","","0.0942","0.1227","","","","","","0.936","","","","has coordinates","257733","2020-10-21","18:00:00",""
"7059404","7.881","0.0008","8.6992","0.0009","13.7382","0.0015","90","","90","","90","","941.87","0.17","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Cs Mg2 O10 P3 -","- Cs Mg2 O10 P3 -","- Cs4 Mg8 O40 P12 -","4","0.5","","Qian, Zhen; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Synthesis, structure and characterization of three new Mg-containing phosphates with deep-UV cut-off edges","New Journal of Chemistry","2020","44","17","6771","6777","10.1039/C9NJ06311K","","","0.71073","MoKα","","0.0277","0.0253","","","0.0643","0.0664","","","","","","1.074","","","","has coordinates","257733","2020-10-21","18:00:00",""
"7059405","9.7142","0.0007","11.5894","0.0009","13.6626","0.0011","68.974","0.003","77.628","0.003","80.197","0.003","1395.03","0.19","302","2","302","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H25 Cu N6 O13 Tb -","- C21 H25 Cu N6 O13 Tb -","- C42 H50 Cu2 N12 O26 Tb2 -","2","1","","Maity, Souvik; Bhunia, Pradip; Ichihashi, Kana; Ishida, Takayuki; Ghosh, Ashutosh","SMM behaviour of heterometallic dinuclear CuIILnIII (Ln = Tb and Dy) complexes derived from N2O3 donor unsymmetrical ligands","New Journal of Chemistry","2020","44","16","6197","6205","10.1039/D0NJ00193G","","","0.71073","MoKα","","0.0371","0.0309","","","0.0724","0.0771","","","","","","1.029","","","","has coordinates,has disorder","257784","2020-10-21","18:00:00",""
"7059406","9.8895","0.001","11.1753","0.0011","13.2344","0.0012","69.215","0.003","78.355","0.003","79.291","0.003","1328.8","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 Cu N6 O13 Tb -","- C20 H23 Cu N6 O13 Tb -","- C40 H46 Cu2 N12 O26 Tb2 -","2","1","","Maity, Souvik; Bhunia, Pradip; Ichihashi, Kana; Ishida, Takayuki; Ghosh, Ashutosh","SMM behaviour of heterometallic dinuclear CuIILnIII (Ln = Tb and Dy) complexes derived from N2O3 donor unsymmetrical ligands","New Journal of Chemistry","2020","44","16","6197","6205","10.1039/D0NJ00193G","","","0.71073","MoKα","","0.0305","0.0254","","","0.0591","0.0621","","","","","","1.067","","","","has coordinates,has disorder","257784","2020-10-21","18:00:00",""
"7059407","9.7227","0.0009","11.5973","0.001","13.6835","0.0012","68.904","0.002","77.49","0.002","80.068","0.002","1397.7","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H25 Cu Dy N6 O13 -","- C21 H25 Cu Dy N6 O13 -","- C42 H50 Cu2 Dy2 N12 O26 -","2","1","","Maity, Souvik; Bhunia, Pradip; Ichihashi, Kana; Ishida, Takayuki; Ghosh, Ashutosh","SMM behaviour of heterometallic dinuclear CuIILnIII (Ln = Tb and Dy) complexes derived from N2O3 donor unsymmetrical ligands","New Journal of Chemistry","2020","44","16","6197","6205","10.1039/D0NJ00193G","","","0.71073","MoKα","","0.0487","0.0332","","","0.0827","0.1022","","","","","","1.168","","","","has coordinates,has disorder","257784","2020-10-21","18:00:00",""
"7059408","9.8127","0.0009","11.0987","0.0011","13.1441","0.0012","69.287","0.003","78.308","0.003","79.312","0.003","1301","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 Cu Dy N6 O13 -","- C20 H23 Cu Dy N6 O13 -","- C40 H46 Cu2 Dy2 N12 O26 -","2","1","","Maity, Souvik; Bhunia, Pradip; Ichihashi, Kana; Ishida, Takayuki; Ghosh, Ashutosh","SMM behaviour of heterometallic dinuclear CuIILnIII (Ln = Tb and Dy) complexes derived from N2O3 donor unsymmetrical ligands","New Journal of Chemistry","2020","44","16","6197","6205","10.1039/D0NJ00193G","","","0.71073","MoKα","","0.0412","0.0337","","","0.0819","0.0858","","","","","","0.997","","","","has coordinates,has disorder","257784","2020-10-21","18:00:00",""
"7059409","9.0742","0.0003","10.8811","0.0004","11.8127","0.0004","90","","102.664","0.003","90","","1137.98","0.07","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H19 Cl N2 -","- C10 H19 Cl N2 -","- C40 H76 Cl4 N8 -","4","2","","Martin, Carmen; Cano, Israel; Scé, Fabio; Pérez-Aguirre, Rubén; Gimbert-Suriñach, Carolina; Lopez-Cornejo, Pilar; de Pedro, Imanol","Synthesis of chiral iron-based ionic liquids: modelling stable hybrid materials","New Journal of Chemistry","2020","44","16","6375","6383","10.1039/D0NJ00349B","","x-ray","1.54184","CuKα","K-L~2,3~","0.0342","0.034","","","0.0886","0.0889","","","","","","1.064","","","","has coordinates","257782","2020-10-21","18:00:00",""
"7059410","6.6283","0.0002","7.8369","0.0003","17.606","0.0005","90.888","0.003","94.947","0.003","91.1","0.003","910.84","0.05","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H31 Cl N2 O2 -","- C16 H31 Cl N2 O2 -","- C32 H62 Cl2 N4 O4 -","2","2","","Martin, Carmen; Cano, Israel; Scé, Fabio; Pérez-Aguirre, Rubén; Gimbert-Suriñach, Carolina; Lopez-Cornejo, Pilar; de Pedro, Imanol","Synthesis of chiral iron-based ionic liquids: modelling stable hybrid materials","New Journal of Chemistry","2020","44","16","6375","6383","10.1039/D0NJ00349B","","x-ray","1.54184","CuKα","K-L~2,3~","0.0416","0.0409","","","0.1109","0.1119","","","","","","1.04","","","","has coordinates","257782","2020-10-21","18:00:00",""
"7059411","7.657","0.0002","10.3364","0.0003","15.753","0.0006","90.747","0.003","91.108","0.003","106.582","0.003","1194.49","0.07","293","","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H25 N -","- C35 H25 N -","- C70 H50 N2 -","2","1","","Mukherjee, Atasi; Chakravarty, Manab","Regioisomeric monopyridine-functionalized triarylethene: small AIEgens with isomeric effect and an efficient platform for the selective and sensitive detection of Pd2+ and Fe3+","New Journal of Chemistry","2020","44","16","6173","6181","10.1039/D0NJ00306A","","x-ray","0.71073","MoKα","","0.1079","0.0857","","","0.2164","0.232","","","","","","1.012","","","","has coordinates","257779","2020-10-21","18:00:00",""
"7059412","9.3645","0.0002","9.8616","0.0002","29.8334","0.0006","91.421","0.002","95.716","0.002","114.431","0.002","2489.29","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H25 N -","- C35 H25 N -","- C140 H100 N4 -","4","2","","Mukherjee, Atasi; Chakravarty, Manab","Regioisomeric monopyridine-functionalized triarylethene: small AIEgens with isomeric effect and an efficient platform for the selective and sensitive detection of Pd2+ and Fe3+","New Journal of Chemistry","2020","44","16","6173","6181","10.1039/D0NJ00306A","","x-ray","1.54184","CuKα","","0.0714","0.0673","","","0.1742","0.1766","","","","","","1.049","","","","has coordinates","292638","2024-06-28","09:33:35",""
"7059413","14.6578","0.0015","8.7453","0.0011","22.209","0.004","90","","106.46","0.007","90","","2730.2","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 N2 O2 -","- C16 H17 N2 O2 -","- C128 H136 N16 O16 -","8","1","","Choudhari, Dinkar; Salunke-Gawali, Sunita; Chakravarty, Debamitra; Shaikh, Samir R.; Lande, Dipali N.; Gejji, Shridhar P.; Rao, Pradeep Kumar; Satpute, Surekha; Puranik, Vedavati G.; Gonnade, Rajesh","Synthesis and biological activity of imidazole based 1,4-naphthoquinones","New Journal of Chemistry","2020","44","17","6889","6901","10.1039/C9NJ04339J","","","0.71073","MoKα","","0.106","0.0668","","","0.142","0.1601","","","","","","1.043","","","","has coordinates","257739","2020-10-21","18:00:00",""
"7059414","10.1825","0.0005","6.9858","0.0003","15.3143","0.0007","90","","95.202","0.002","90","","1084.86","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cl N O3 -","- C12 H8 Cl N O3 -","- C48 H32 Cl4 N4 O12 -","4","1","","Choudhari, Dinkar; Salunke-Gawali, Sunita; Chakravarty, Debamitra; Shaikh, Samir R.; Lande, Dipali N.; Gejji, Shridhar P.; Rao, Pradeep Kumar; Satpute, Surekha; Puranik, Vedavati G.; Gonnade, Rajesh","Synthesis and biological activity of imidazole based 1,4-naphthoquinones","New Journal of Chemistry","2020","44","17","6889","6901","10.1039/C9NJ04339J","","","0.71073","MoKα","","0.0739","0.0481","","","0.1031","0.1156","","","","","","0.985","","","","has coordinates","257739","2020-10-21","18:00:00",""
"7059415","20.7144","0.0013","4.6497","0.0003","14.7226","0.001","90","","108.849","0.003","90","","1341.97","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Choudhari, Dinkar; Salunke-Gawali, Sunita; Chakravarty, Debamitra; Shaikh, Samir R.; Lande, Dipali N.; Gejji, Shridhar P.; Rao, Pradeep Kumar; Satpute, Surekha; Puranik, Vedavati G.; Gonnade, Rajesh","Synthesis and biological activity of imidazole based 1,4-naphthoquinones","New Journal of Chemistry","2020","44","17","6889","6901","10.1039/C9NJ04339J","","","0.71073","MoKα","","0.0539","0.0494","","","0.1188","0.1215","","","","","","1.136","","","","has coordinates","257739","2020-10-21","18:00:00",""
"7059416","8.122","0.0003","15.5877","0.0005","9.2916","0.0003","90","","104.519","0.001","90","","1138.78","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","","Choudhari, Dinkar; Salunke-Gawali, Sunita; Chakravarty, Debamitra; Shaikh, Samir R.; Lande, Dipali N.; Gejji, Shridhar P.; Rao, Pradeep Kumar; Satpute, Surekha; Puranik, Vedavati G.; Gonnade, Rajesh","Synthesis and biological activity of imidazole based 1,4-naphthoquinones","New Journal of Chemistry","2020","44","17","6889","6901","10.1039/C9NJ04339J","","","0.71073","MoKα","","0.0449","0.0419","","","0.1026","0.1053","","","","","","1.006","","","","has coordinates","257739","2020-10-21","18:00:00",""
"7059417","37.44","0.05","4.665","0.013","14.44","0.04","90","","98","0.2","90","","2498","10","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C112 H112 N16 O24 -","8","1","","Choudhari, Dinkar; Salunke-Gawali, Sunita; Chakravarty, Debamitra; Shaikh, Samir R.; Lande, Dipali N.; Gejji, Shridhar P.; Rao, Pradeep Kumar; Satpute, Surekha; Puranik, Vedavati G.; Gonnade, Rajesh","Synthesis and biological activity of imidazole based 1,4-naphthoquinones","New Journal of Chemistry","2020","44","17","6889","6901","10.1039/C9NJ04339J","","","1.54184","CuKα","","0.1084","0.0652","","","0.1768","0.2066","","","","","","1.012","","","","has coordinates","257739","2020-10-21","18:00:00",""
"7059418","7.8552","0.0006","13.2661","0.0011","21.1966","0.0017","90","","90","","90","","2208.9","0.3","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","naphthoquinones","","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C104 H96 N16 O24 -","8","1","","Choudhari, Dinkar; Salunke-Gawali, Sunita; Chakravarty, Debamitra; Shaikh, Samir R.; Lande, Dipali N.; Gejji, Shridhar P.; Rao, Pradeep Kumar; Satpute, Surekha; Puranik, Vedavati G.; Gonnade, Rajesh","Synthesis and biological activity of imidazole based 1,4-naphthoquinones","New Journal of Chemistry","2020","44","17","6889","6901","10.1039/C9NJ04339J","","","0.71073","MoKα","","0.0604","0.0481","","","0.0981","0.1026","","","","","","1.161","","","","has coordinates","257739","2020-10-21","18:00:00",""
"7059419","7.65","0.003","11.624","0.005","15.228","0.009","89.143","0.017","79.65","0.02","72.548","0.016","1269.7","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","2","","Choudhari, Dinkar; Salunke-Gawali, Sunita; Chakravarty, Debamitra; Shaikh, Samir R.; Lande, Dipali N.; Gejji, Shridhar P.; Rao, Pradeep Kumar; Satpute, Surekha; Puranik, Vedavati G.; Gonnade, Rajesh","Synthesis and biological activity of imidazole based 1,4-naphthoquinones","New Journal of Chemistry","2020","44","17","6889","6901","10.1039/C9NJ04339J","","","1.54184","CuKα","","0.1361","0.0598","","","0.1293","0.1666","","","","","","1.019","","","","has coordinates","292638","2024-06-28","09:33:35",""
"7059420","8.355","0.0017","19.633","0.0039","30.829","0.0062","90","","90","","90","","5057","1.8","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H25 Cl3 Cu N3 Na3 O17 -","- C11 H25 Cl3 Cu N3 Na3 O17 -","- C88 H200 Cl24 Cu8 N24 Na24 O136 -","8","1","","Ramadan, Abd El-Motaleb M.; Shaban, Shaban Y.; Ibrahim, Mohamed M.; Abdel-Rahman, Adel A.-H.; Sallam, Shehab A.; Al-Harbi, Sami A.; Omar, Walid","Synthesis and spectroscopic characterization of ternary copper(ii) complexes containing nitrogen and oxygen donors as functional mimics of catechol oxidase and phenoxazinone synthase","New Journal of Chemistry","2020","44","16","6331","6345","10.1039/C9NJ06131B","","","0.71073","MoKα","","0.0678","0.0384","","","0.0904","0.1073","","","","","","0.993","","","","has coordinates","257776","2020-10-21","18:00:00",""
"7059421","10.2702","0.0008","20.6229","0.0013","10.9839","0.001","90","","105.215","0.008","90","","2244.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 N O3 -","- C24 H35 N O3 -","- C96 H140 N4 O12 -","4","1","","Madarasi, Packirisamy Kuzhalmozhi; Sivasankar, Chinnappan","Infrared spectroscopic detection of ketene formation from carbene and CO sources: an amide synthesis","New Journal of Chemistry","2020","44","21","8718","8727","10.1039/C9NJ06161D","","x-ray","0.71073","MoKα","","0.117","0.0679","","","0.1846","0.2248","","","","","","1.0743","","","","has coordinates","298328","2025-03-07","16:31:38",""
"7059422","9.753","0.0005","19.4993","0.0009","14.0108","0.0007","90","","94.635","0.002","90","","2655.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-1-benzyl-3-(1-(9-hydroxy-9H-fluoren-9-yl)-2-oxo-2-phenylethylidene)indolin-2-one","","- C36 H25 N O3 -","- C36 H25 N O3 -","- C144 H100 N4 O12 -","4","1","","Athira, Mohanakumaran; Meerakrishna, Ramakrishnan Suseela; Shanmugam, Ponnusamy","Synthesis of blue emissive functionalized 9,9-disubstituted fluorene derivatives via BF3·OEt2 mediated reaction of co-planar 9-(phenylethynyl)-9H-fluoren-9-ols with isatin imines","New Journal of Chemistry","2020","44","16","6652","6660","10.1039/C9NJ05102C","","","0.71073","MoKα","","0.0675","0.0481","","","0.1017","0.1121","","","","","","1.095","","","","has coordinates","257781","2020-10-21","18:00:00",""
"7059423","11.867","0.003","12.9","0.003","18.148","0.006","90","","98.427","0.017","90","","2748.2","1.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","AM3-3-F1","(E)-1-methyl-3-(2-oxo-2-phenyl-1-(9-(p-tolylamino)-9H-fluoren-9-yl)ethylidene)indolin-2-one","","- C37 H28 N2 O2 -","- C37 H28 N2 O2 -","- C148 H112 N8 O8 -","4","1","","Athira, Mohanakumaran; Meerakrishna, Ramakrishnan Suseela; Shanmugam, Ponnusamy","Synthesis of blue emissive functionalized 9,9-disubstituted fluorene derivatives via BF3·OEt2 mediated reaction of co-planar 9-(phenylethynyl)-9H-fluoren-9-ols with isatin imines","New Journal of Chemistry","2020","44","16","6652","6660","10.1039/C9NJ05102C","","","1.54184","CuKα","","0.0982","0.0643","","","0.1688","0.1986","","","","","","1.093","","","","has coordinates","257781","2020-10-21","18:00:00",""
"7059424","15.902","0.0018","5.4778","0.0006","7.3146","0.001","90","","90.515","0.004","90","","637.13","0.13","190","","189.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F N4 -","- C16 H9 F N4 -","- C32 H18 F2 N8 -","2","0.5","","Pedrini, Alessandro; Maspero, Angelo; Bracco, Silvia; Comotti, Angelina; Galli, Simona; Marchiò, Luciano; Nardo, Luca; Penoni, Andrea; Scapinello, Luca; Sozzani, Piero; Vesco, Guglielmo; Mella, Massimo","Synthesis, crystal structure, and optical properties of fluorinated poly(pyrazole) ligands and in silico assessment of their affinity for volatile organic compounds","New Journal of Chemistry","2020","44","16","6443","6455","10.1039/D0NJ00259C","","","0.71073","MoKα","","0.1246","0.0845","","","0.1646","0.1841","","","","","","1.072","","","","has coordinates,has disorder","257774","2020-10-21","18:00:00",""
"7059425","13.3901","0.0006","6.3395","0.0003","7.8929","0.0003","90","","93.316","0.002","90","","668.88","0.05","190","","190","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H6 F4 N4 -","- C16 H6 F4 N4 -","- C32 H12 F8 N8 -","2","0.5","","Pedrini, Alessandro; Maspero, Angelo; Bracco, Silvia; Comotti, Angelina; Galli, Simona; Marchiò, Luciano; Nardo, Luca; Penoni, Andrea; Scapinello, Luca; Sozzani, Piero; Vesco, Guglielmo; Mella, Massimo","Synthesis, crystal structure, and optical properties of fluorinated poly(pyrazole) ligands and in silico assessment of their affinity for volatile organic compounds","New Journal of Chemistry","2020","44","16","6443","6455","10.1039/D0NJ00259C","","","0.71073","MoKα","","0.057","0.0508","","","0.1386","0.1449","","","","","","1.069","","","","has coordinates","257774","2020-10-21","18:00:00",""
"7059426","7.913","0.006","5.411","0.003","15.519","0.011","90","","102.2","0.013","90","","649.5","0.8","190","","190","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 F2 N4 -","- C16 H8 F2 N4 -","- C32 H16 F4 N8 -","2","0.5","","Pedrini, Alessandro; Maspero, Angelo; Bracco, Silvia; Comotti, Angelina; Galli, Simona; Marchiò, Luciano; Nardo, Luca; Penoni, Andrea; Scapinello, Luca; Sozzani, Piero; Vesco, Guglielmo; Mella, Massimo","Synthesis, crystal structure, and optical properties of fluorinated poly(pyrazole) ligands and in silico assessment of their affinity for volatile organic compounds","New Journal of Chemistry","2020","44","16","6443","6455","10.1039/D0NJ00259C","","","0.71073","MoKα","","0.0604","0.0447","","","0.1018","0.1092","","","","","","1.071","","","","has coordinates,has disorder","257774","2020-10-21","18:00:00",""
"7059427","13.6229","0.0004","5.9755","0.0002","19.6403","0.0006","90","","99.437","0.001","90","","1577.15","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N9 O8 -","- C11 H9 N9 O8 -","- C44 H36 N36 O32 -","4","1","","Yan, Tingou; Cheng, Guangbin; Yang, Hongwei","1,3,4-Oxadiazole based thermostable energetic materials: synthesis and structure‒property relationship","New Journal of Chemistry","2020","44","16","6643","6651","10.1039/D0NJ00518E","","","0.71073","MoKα","","0.0672","0.0473","","","0.1069","0.1207","","","","","","1.046","","","","has coordinates","257783","2020-10-21","18:00:00",""
"7059428","6.5043","0.0003","8.5821","0.0004","10.4247","0.0004","67.98","0.002","87.727","0.002","84.136","0.001","536.64","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 N10 O8 S2 -","- C14 H16 N10 O8 S2 -","- C14 H16 N10 O8 S2 -","1","0.5","","Yan, Tingou; Cheng, Guangbin; Yang, Hongwei","1,3,4-Oxadiazole based thermostable energetic materials: synthesis and structure‒property relationship","New Journal of Chemistry","2020","44","16","6643","6651","10.1039/D0NJ00518E","","","0.71073","MoKα","","0.0418","0.0337","","","0.0747","0.0797","","","","","","1.044","","","","has coordinates","257783","2020-10-21","18:00:00",""
"7059429","12.622","0.0004","5.8838","0.0002","11.1302","0.0003","90","","107.75","0.001","90","","787.24","0.04","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H2 N12 O10 -","- C10 H2 N12 O10 -","- C20 H4 N24 O20 -","2","0.5","","Yan, Tingou; Cheng, Guangbin; Yang, Hongwei","1,3,4-Oxadiazole based thermostable energetic materials: synthesis and structure‒property relationship","New Journal of Chemistry","2020","44","16","6643","6651","10.1039/D0NJ00518E","","","0.71073","MoKα","","0.0345","0.0304","","","0.0725","0.0754","","","","","","1.04","","","","has coordinates","257783","2020-10-21","18:00:00",""
"7059430","13.9157","0.0011","8.6591","0.0007","18.9441","0.0017","90","","90","","90","","2282.7","0.3","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H6 N8 O6 -","- C8 H6 N8 O6 -","- C64 H48 N64 O48 -","8","1","","Yan, Tingou; Cheng, Guangbin; Yang, Hongwei","1,3,4-Oxadiazole based thermostable energetic materials: synthesis and structure‒property relationship","New Journal of Chemistry","2020","44","16","6643","6651","10.1039/D0NJ00518E","","","0.71073","MoKα","","0.092","0.0488","","","0.1052","0.122","","","","","","1.066","","","","has coordinates","257783","2020-10-21","18:00:00",""
"7059431","17.6045","0.0009","30.805","0.0016","5.0463","0.0002","90","","90","","90","","2736.6","0.2","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H2 N10 O9 -","- C8 H2 N10 O9 -","- C64 H16 N80 O72 -","8","0.5","","Yan, Tingou; Cheng, Guangbin; Yang, Hongwei","1,3,4-Oxadiazole based thermostable energetic materials: synthesis and structure‒property relationship","New Journal of Chemistry","2020","44","16","6643","6651","10.1039/D0NJ00518E","","","0.71073","MoKα","","0.0625","0.0386","","","0.095","0.1188","","","","","","1.108","","","","has coordinates","257783","2020-10-21","18:00:00",""
"7059432","8.549","0.0013","10.104","0.0014","9.1163","0.0018","90","","99.01","0.008","90","","777.7","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N4 O7 -","- C4 H4 N4 O7 -","- C16 H16 N16 O28 -","4","1","","Yan, Tingou; Cheng, Guangbin; Yang, Hongwei","1,3,4-Oxadiazole based thermostable energetic materials: synthesis and structure‒property relationship","New Journal of Chemistry","2020","44","16","6643","6651","10.1039/D0NJ00518E","","","0.71073","MoKα","","0.0577","0.0431","","","0.1018","0.1128","","","","","","1.039","","","","has coordinates","257783","2020-10-21","18:00:00",""
"7059433","9.3522","0.0003","11.3926","0.0005","17.9538","0.0007","90","","98.457","0.001","90","","1892.1","0.13","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 N12 O12 -","- C10 H6 N12 O12 -","- C40 H24 N48 O48 -","4","1","","Yan, Tingou; Cheng, Guangbin; Yang, Hongwei","1,3,4-Oxadiazole based thermostable energetic materials: synthesis and structure‒property relationship","New Journal of Chemistry","2020","44","16","6643","6651","10.1039/D0NJ00518E","","","0.71073","MoKα","","0.0768","0.0557","","","0.1332","0.1509","","","","","","1.05","","","","has coordinates","257783","2020-10-21","18:00:00",""
"7059434","12.792","0.007","3.569","0.0009","29.664","0.008","90","","90","","90","","1354.3","0.9","170","","170","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C4 H5 N3 O5 -","- C4 H5 N3 O5 -","- C32 H40 N24 O40 -","8","2","","Yan, Tingou; Cheng, Guangbin; Yang, Hongwei","1,3,4-Oxadiazole based thermostable energetic materials: synthesis and structure‒property relationship","New Journal of Chemistry","2020","44","16","6643","6651","10.1039/D0NJ00518E","","","0.71073","MoKα","","0.0783","0.0512","","","0.12","0.1371","","","","","","1.126","","","","has coordinates","257783","2020-10-21","18:00:00",""
"7059435","9.6069","0.0006","12.3824","0.0008","12.6845","0.0008","100.648","0.002","107.253","0.002","107.393","0.002","1311.77","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H54 N8 O23 Se4 Zn4 -","- C40 H54 N8 O23 Se4 Zn4 -","- C40 H54 N8 O23 Se4 Zn4 -","1","0.5","","Lunardi, Andressa; Nunes Cechin, Camila; Lang, Ernesto Schulz; Cargnelutti, Roberta; Ramirez Pineda, Nahum; Piquini, Paulo Cesar; Burrow, Robert Alan; Santos dos Santos, Sailer; Bortolotto, Tanize; Tirloni, Bárbara","Organically templated zinc selenite compounds: synthesis, structural chemistry and DFT calculations","New Journal of Chemistry","2020","44","17","6699","6703","10.1039/D0NJ00343C","","","0.71073","MoKα","","0.0696","0.0401","","","0.0865","0.094","","","","","","1.015","","","","has coordinates,has disorder","257740","2020-10-21","18:00:00",""
"7059436","8.4181","0.0005","13.0306","0.0007","13.701","0.0008","102.147","0.002","103.589","0.002","91.969","0.002","1422.56","0.14","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H50 N8 O21 Se4 Zn4 -","- C48 H50 N8 O21 Se4 Zn4 -","- C48 H50 N8 O21 Se4 Zn4 -","1","0.5","","Lunardi, Andressa; Nunes Cechin, Camila; Lang, Ernesto Schulz; Cargnelutti, Roberta; Ramirez Pineda, Nahum; Piquini, Paulo Cesar; Burrow, Robert Alan; Santos dos Santos, Sailer; Bortolotto, Tanize; Tirloni, Bárbara","Organically templated zinc selenite compounds: synthesis, structural chemistry and DFT calculations","New Journal of Chemistry","2020","44","17","6699","6703","10.1039/D0NJ00343C","","","0.71073","MoKα","","0.1108","0.0462","","","0.0716","0.0845","","","","","","1.003","","","","has coordinates,has disorder","257740","2020-10-21","18:00:00",""
"7059437","13.1608","0.0006","25.5433","0.0013","28.7541","0.0012","90","","99.619","0.001","90","","9530.4","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C86 H88 Cl2 N11 O31 P3 Tb2 -","- C86 H88 Cl2 N11 O31 P3 Tb2 -","- C344 H352 Cl8 N44 O124 P12 Tb8 -","4","1","","Peng, Guo; Chen, Yue; Li, Bo","One-dimensional lanthanide coordination polymers supported by pentadentate Schiff-base and diphenyl phosphate ligands: single molecule magnet behavior and photoluminescence","New Journal of Chemistry","2020","44","18","7270","7276","10.1039/D0NJ00533A","","","0.71073","MoKα","","0.074","0.0455","","","0.1088","0.124","","","","","","1.021","","","","has coordinates,has disorder","257852","2020-10-21","18:00:00",""
"7059438","12.9888","0.0006","25.3643","0.001","28.8567","0.0013","90","","99.708","0.002","90","","9370.8","0.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C86 H88 Cl2 N11 O31 P3 Yb2 -","- C86 H88 Cl2 N11 O31 P3 Yb2 -","- C344 H352 Cl8 N44 O124 P12 Yb8 -","4","1","","Peng, Guo; Chen, Yue; Li, Bo","One-dimensional lanthanide coordination polymers supported by pentadentate Schiff-base and diphenyl phosphate ligands: single molecule magnet behavior and photoluminescence","New Journal of Chemistry","2020","44","18","7270","7276","10.1039/D0NJ00533A","","","0.71073","MoKα","","0.1052","0.0715","","","0.2078","0.2275","","","","","","1.189","","","","has coordinates,has disorder","257852","2020-10-21","18:00:00",""
"7059439","13.0937","0.0004","25.4261","0.0008","28.709","0.0008","90","","99.725","0.001","90","","9420.5","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C86 H88 Cl2 Dy2 N11 O31 P3 -","- C86 H88 Cl2 Dy2 N11 O31 P3 -","- C344 H352 Cl8 Dy8 N44 O124 P12 -","4","1","","Peng, Guo; Chen, Yue; Li, Bo","One-dimensional lanthanide coordination polymers supported by pentadentate Schiff-base and diphenyl phosphate ligands: single molecule magnet behavior and photoluminescence","New Journal of Chemistry","2020","44","18","7270","7276","10.1039/D0NJ00533A","","","0.71073","MoKα","","0.1141","0.0576","","","0.143","0.179","","","","","","1.091","","","","has coordinates,has disorder","257852","2020-10-21","18:00:00",""
"7059440","13.0197","0.0005","25.395","0.0011","28.8323","0.0013","90","","99.94","0.002","90","","9389.9","0.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C86 H88 Cl2 Er2 N11 O31 P3 -","- C86 H88 Cl2 Er2 N11 O31 P3 -","- C344 H352 Cl8 Er8 N44 O124 P12 -","4","1","","Peng, Guo; Chen, Yue; Li, Bo","One-dimensional lanthanide coordination polymers supported by pentadentate Schiff-base and diphenyl phosphate ligands: single molecule magnet behavior and photoluminescence","New Journal of Chemistry","2020","44","18","7270","7276","10.1039/D0NJ00533A","","","0.71073","MoKα","","0.1325","0.0847","","","0.1885","0.2098","","","","","","1.171","","","","has coordinates,has disorder","257852","2020-10-21","18:00:00",""
"7059441","15.6773","0.0018","6.7908","0.0008","15.3495","0.0019","90","","118.405","0.004","90","","1437.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","12a-bromo-6b,12a-dihydro-12H-chromeno[2',3':4,5]furo[3,2-c]quinolin-12-one","","- C18 H10 Br N O3 -","- C18 H10 Br N O3 -","- C72 H40 Br4 N4 O12 -","4","1","","Ferreira, João P. S.; Cardoso, Susana M.; Almeida Paz, Filipe A.; Silva, Artur M. S.; Silva, Vera L. M.","Synthesis of 2-aroylfuro[3,2-c]quinolines from quinolone-based chalcones and evaluation of their antioxidant and anticholinesterase activities","New Journal of Chemistry","2020","44","16","6501","6509","10.1039/D0NJ00409J","","","0.71073","MoKα","","0.0377","0.0251","","","0.0505","0.0562","","","","","","1.076","","","","has coordinates","257777","2020-10-21","18:00:00",""
"7059442","14.777","0.004","14.448","0.007","18.99","0.003","90","","112.01","0.02","90","","3759","2","150","2","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H52 Cl2 Fe N O4 S -","- C35 H52 Cl2 Fe N O4 S -","- C140 H208 Cl8 Fe4 N4 O16 S4 -","4","1","","Driscoll, Oliver J.; Stewart, Jack A.; McKeown, Paul; Jones, Matthew D.","Salalen vs. thiolen: in the ring(-opening of epoxide and cyclic carbonate formation)","New Journal of Chemistry","2020","44","15","6063","6067","10.1039/D0NJ00725K","","x-ray","0.71073","MoKα","","0.1263","0.0669","","","0.1544","0.1975","","","","","","1.019","","","","has coordinates,has disorder","257843","2020-10-21","18:00:00",""
"7059443","7.1753","0.0005","10.1901","0.0009","11.0558","0.0009","109.818","0.007","97.305","0.006","100.11","0.006","733.32","0.11","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N5 O2 -","- C16 H17 N5 O2 -","- C32 H34 N10 O4 -","2","1","","Pan, Zexi; Song, Chan; Zhou, Wei; Cui, Dong-Mei; Zhang, Chen","Synthesis of imidazo[1,2-a][1,3,5]triazines by NBS-mediated coupling of 2-amino-1,3,5-triazines with 1,3-dicarbonyl compounds","New Journal of Chemistry","2020","44","16","6182","6185","10.1039/C9NJ05794C","","","0.71073","MoKα","","0.0689","0.0482","","","0.115","0.1312","","","","","","1.028","","","","has coordinates","257780","2020-10-21","18:00:00",""
"7059444","12.485","0.006","9.687","0.004","14.318","0.006","90","","105.29","0.015","90","","1670.4","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl2 N3 Ni O2 -","- C15 H15 Cl2 N3 Ni O2 -","- C60 H60 Cl8 N12 Ni4 O8 -","4","1","","Pal, Pampi; Das, Kinsuk; Hossain, Anowar; Frontera, Antonio; Mukhopadhyay, Subrata","Supramolecular and theoretical perspectives of 2,2′:6′,2′′-terpyridine based Ni(ii) and Cu(ii) complexes: on the importance of C‒H⋯Cl and π⋯π interactions","New Journal of Chemistry","2020","44","18","7310","7318","10.1039/D0NJ00094A","","","0.71073","MoKα","","0.04","0.0273","","","0.0934","0.1204","","","","","","0.893","","","","has coordinates","257851","2020-10-21","18:00:00",""
"7059445","10.6709","0.001","8.2581","0.0007","16.0905","0.0016","90","","94.686","0.003","90","","1413.2","0.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cl2 Cu N3 -","- C15 H11 Cl2 Cu N3 -","- C60 H44 Cl8 Cu4 N12 -","4","1","","Pal, Pampi; Das, Kinsuk; Hossain, Anowar; Frontera, Antonio; Mukhopadhyay, Subrata","Supramolecular and theoretical perspectives of 2,2′:6′,2′′-terpyridine based Ni(ii) and Cu(ii) complexes: on the importance of C‒H⋯Cl and π⋯π interactions","New Journal of Chemistry","2020","44","18","7310","7318","10.1039/D0NJ00094A","","","0.71073","MoKα","","0.0318","0.024","","","0.0884","0.1103","","","","","","0.938","","","","has coordinates","257851","2020-10-21","18:00:00",""
"7059446","18.9587","0.0003","14.3738","0.0003","13.6489","0.0003","90","","106.507","0.001","90","","3566.15","0.12","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 Cu2 N4 O12 S3 -","- C36 H30 Cu2 N4 O12 S3 -","- C144 H120 Cu8 N16 O48 S12 -","4","0.5","","Ahmad, M. Shahwaz; Khalid, Mohd; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer; Monika,; Ansari, Azaj; Ashafaq, Mo","Exploring catecholase activity in dinuclear Mn(ii) and Cu(ii) complexes: an experimental and theoretical approach","New Journal of Chemistry","2020","44","19","7998","8009","10.1039/D0NJ00605J","","","0.71073","MoKα","","0.0349","0.0299","","","0.0728","0.0767","","","","","","1.0666","","","","has coordinates","257766","2020-10-21","18:00:00",""
"7059447","21.306","0.012","13.387","0.008","13.863","0.008","90","","110.184","0.014","90","","3711","4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Mn2 N4 O8 S2 -","- C32 H24 Mn2 N4 O8 S2 -","- C128 H96 Mn8 N16 O32 S8 -","4","0.5","","Ahmad, M. Shahwaz; Khalid, Mohd; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer; Monika,; Ansari, Azaj; Ashafaq, Mo","Exploring catecholase activity in dinuclear Mn(ii) and Cu(ii) complexes: an experimental and theoretical approach","New Journal of Chemistry","2020","44","19","7998","8009","10.1039/D0NJ00605J","","","0.71073","MoKα","","0.1173","0.0892","","","0.239","0.2705","","","","","","1.0675","","","","has coordinates","257766","2020-10-21","18:00:00",""
"7059448","18.8435","0.0004","18.8435","0.0004","35.3142","0.0012","90","","90","","90","","12539.3","0.6","293","2","293","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- C29 H18 O10 Zn2 -","- C29 H18 O10 Zn2 -","- C232 H144 O80 Zn16 -","8","0.5","","Guo, Qi; Ma, Tingting; Zhou, Liuqing; Ma, Jing-xin; Yang, Jinhui; Yang, Qingfeng","Efficient detection of Cr3+ and Cr2O72− using a Zn(ii) luminescent metal‒organic framework","New Journal of Chemistry","2020","44","18","7293","7299","10.1039/C9NJ05999G","","","1.54184","CuKα","","0.0644","0.0515","","","0.138","0.1535","","","","","","1.003","","","","has coordinates","257847","2020-10-21","18:00:00",""
"7059449","6.4706","0.0006","7.4628","0.0007","16.4827","0.0016","93.785","0.007","94.273","0.006","104.845","0.006","764.23","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Br3 N2 O -","- C13 H11 Br3 N2 O -","- C26 H22 Br6 N4 O2 -","2","1","","Canımkurbey, Betül; Taşkan, Mustafa Can; Demir, Sevde; Duygulu, Ercan; Atilla, Devrim; Yuksel, Fatma","Synthesis and investigation of the electrical properties of novel liquid-crystal phthalocyanines bearing triple branched alkylthia chains","New Journal of Chemistry","2020","44","18","7424","7435","10.1039/D0NJ00678E","","","0.71073","MoKα","","0.0541","0.0404","","","0.1005","0.1086","","","","","","1.049","","","","has coordinates","257850","2020-10-21","18:00:00",""
"7059450","7.678","0.003","29.054","0.01","7.724","0.003","90","","118.503","0.005","90","","1514.2","1","120","2","119.96","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Br3 N2 O -","- C13 H11 Br3 N2 O -","- C52 H44 Br12 N8 O4 -","4","1","","Canımkurbey, Betül; Taşkan, Mustafa Can; Demir, Sevde; Duygulu, Ercan; Atilla, Devrim; Yuksel, Fatma","Synthesis and investigation of the electrical properties of novel liquid-crystal phthalocyanines bearing triple branched alkylthia chains","New Journal of Chemistry","2020","44","18","7424","7435","10.1039/D0NJ00678E","","","0.71073","MoKα","","0.0879","0.071","","","0.162","0.1691","","","","","","1.178","","","","has coordinates","257850","2020-10-21","18:00:00",""
"7059451","12.0288","0.0006","18.0203","0.001","15.7595","0.0008","90","","111.499","0.002","90","","3178.4","0.3","110","","110","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 F12 N8 O12 Pd2 S4 Se4 -","- C36 H48 F12 N8 O12 Pd2 S4 Se4 -","- C72 H96 F24 N16 O24 Pd4 S8 Se8 -","2","0.5","","Chaudhari, K. R.; Kunwar, A.; Bhuvanesh, N.; Dey, S.","Synthesis and anti-proliferative activities of amine capped Pd and Pt macrocycles of 4,4′-dipyridylselenides","New Journal of Chemistry","2020","44","18","7329","7337","10.1039/C9NJ06052A","","","0.71073","MoKα","","0.0564","0.0428","","","0.0747","0.0808","","","","","","1.125","","","","has coordinates","257849","2020-10-21","18:00:00",""
"7059452","5.7164","0.0006","8.4317","0.0008","10.384","0.001","105.276","0.004","105.188","0.004","98.713","0.004","452.69","0.08","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H8 N2 Se -","- C10 H8 N2 Se -","- C20 H16 N4 Se2 -","2","1","","Chaudhari, K. R.; Kunwar, A.; Bhuvanesh, N.; Dey, S.","Synthesis and anti-proliferative activities of amine capped Pd and Pt macrocycles of 4,4′-dipyridylselenides","New Journal of Chemistry","2020","44","18","7329","7337","10.1039/C9NJ06052A","","","0.71073","MoKα","","0.0283","0.0243","","","0.0596","0.0613","","","","","","1.048","","","","has coordinates","257849","2020-10-21","18:00:00",""
"7059453","13.1185","0.0007","20.3561","0.0007","14.7486","0.001","90","","115.387","0.007","90","","3558.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-3-(2-(2-(4-methoxybenzylidene)hydrazinyl)thiazol-4-yl)-2H-chromen-2-one","","- C20 H15 N3 O3 S -","- C20 H15 N3 O3 S -","- C160 H120 N24 O24 S8 -","8","2","","Godugu, Kumar; Gundala, Thrivikram Reddy; Bodapati, Ramakrishna; Yadala, Venkata Divya Sri; Loka, Subramanyam Sarma; Nallagondu, Chinna Gangi Reddy","Synthesis, photophysical and electrochemical properties of donor‒acceptor type hydrazinyl thiazolyl coumarins","New Journal of Chemistry","2020","44","17","7007","7016","10.1039/D0NJ00082E","","","0.71073","MoKα","","0.1842","0.0878","","","0.2082","0.2701","","","","","","0.914","","","","has coordinates","257741","2020-10-21","18:00:00",""
"7059454","9.5527","0.0002","17.1196","0.0004","28.2418","0.0006","90","","91.7686","0.0008","90","","4616.42","0.17","180","","180","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-Diphenylquinazoline calixarene derivative","","- C54.5 H58 N2 O4.5 -","- C54.5 H58 N2 O4.5 -","- C218 H232 N8 O18 -","4","1","","Tlustý, M.; Dvořáková, H.; Čejka, J.; Kohout, M.; Lhoták, P.","Regioselective formation of the quinazoline moiety on the upper rim of calix[4]arene as a route to inherently chiral systems","New Journal of Chemistry","2020","44","16","6490","6500","10.1039/D0NJ01035A","","","1.54178","CuKα","","0.0652","0.059","","0.1564","0.1545","0.1564","","","","","","1.0082","","","","has coordinates","257778","2020-10-21","18:00:00",""
"7059455","16.044","0.003","13.665","0.003","23.654","0.003","90","","123.091","0.009","90","","4344.8","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 N4 O19 Sm2 -","- C42 H34 N4 O19 Sm2 -","- C168 H136 N16 O76 Sm8 -","4","1","","Gao, Wei; Zhou, Ai-Mei; Wei, Han; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","Water-stable LnIII-based coordination polymers displaying slow magnetic relaxation and luminescence sensing properties","New Journal of Chemistry","2020","44","17","6747","6759","10.1039/D0NJ00828A","","","0.71073","MoKα","","0.0309","0.0249","","","0.0553","0.0583","","","","","","1.032","","","","has coordinates","257736","2020-10-21","18:00:00",""
"7059456","16.013","0.003","13.636","0.003","23.533","0.003","90","","123.104","0.009","90","","4304.4","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 N4 O19 Tb2 -","- C42 H34 N4 O19 Tb2 -","- C168 H136 N16 O76 Tb8 -","4","1","","Gao, Wei; Zhou, Ai-Mei; Wei, Han; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","Water-stable LnIII-based coordination polymers displaying slow magnetic relaxation and luminescence sensing properties","New Journal of Chemistry","2020","44","17","6747","6759","10.1039/D0NJ00828A","","","0.71073","MoKα","","0.0287","0.0243","","","0.0547","0.0565","","","","","","0.995","","","","has coordinates","257736","2020-10-21","18:00:00",""
"7059457","16.026","0.002","13.6349","0.0017","23.5391","0.0019","90","","122.957","0.005","90","","4315.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Gd2 N4 O19 -","- C42 H34 Gd2 N4 O19 -","- C168 H136 Gd8 N16 O76 -","4","1","","Gao, Wei; Zhou, Ai-Mei; Wei, Han; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","Water-stable LnIII-based coordination polymers displaying slow magnetic relaxation and luminescence sensing properties","New Journal of Chemistry","2020","44","17","6747","6759","10.1039/D0NJ00828A","","","0.71073","MoKα","","0.0446","0.032","","","0.0606","0.0653","","","","","","0.996","","","","has coordinates","257736","2020-10-21","18:00:00",""
"7059458","16.01","0.005","13.588","0.004","23.465","0.005","90","","123.07","0.014","90","","4278","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Ho2 N4 O19 -","- C42 H34 Ho2 N4 O19 -","- C168 H136 Ho8 N16 O76 -","4","1","","Gao, Wei; Zhou, Ai-Mei; Wei, Han; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","Water-stable LnIII-based coordination polymers displaying slow magnetic relaxation and luminescence sensing properties","New Journal of Chemistry","2020","44","17","6747","6759","10.1039/D0NJ00828A","","","0.71073","MoKα","","0.0371","0.0281","","","0.0587","0.063","","","","","","1.031","","","","has coordinates","257736","2020-10-21","18:00:00",""
"7059459","16.05","0.003","13.653","0.003","23.678","0.003","90","","123.116","0.009","90","","4345.8","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Eu2 N4 O19 -","- C42 H34 Eu2 N4 O19 -","- C168 H136 Eu8 N16 O76 -","4","1","","Gao, Wei; Zhou, Ai-Mei; Wei, Han; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","Water-stable LnIII-based coordination polymers displaying slow magnetic relaxation and luminescence sensing properties","New Journal of Chemistry","2020","44","17","6747","6759","10.1039/D0NJ00828A","","","0.71073","MoKα","","0.0312","0.0248","","","0.0556","0.0584","","","","","","1.031","","","","has coordinates","257736","2020-10-21","18:00:00",""
"7059460","16.044","0.006","13.656","0.005","23.514","0.007","90","","123.001","0.018","90","","4321","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Dy2 N4 O19 -","- C42 H34 Dy2 N4 O19 -","- C168 H136 Dy8 N16 O76 -","4","1","","Gao, Wei; Zhou, Ai-Mei; Wei, Han; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","Water-stable LnIII-based coordination polymers displaying slow magnetic relaxation and luminescence sensing properties","New Journal of Chemistry","2020","44","17","6747","6759","10.1039/D0NJ00828A","","","0.71073","MoKα","","0.0417","0.034","","","0.0801","0.0842","","","","","","1.013","","","","has coordinates","257736","2020-10-21","18:00:00",""
"7059461","29.039","0.003","12.0094","0.0011","22.276","0.002","90","","111.48","0.001","90","","7229","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H98 N8 Ni6 O30 -","- C52 H98 N8 Ni6 O30 -","- C208 H392 N32 Ni24 O120 -","4","0.5","","Sheng, Kai; Ji, Bao-Qian; Feng, Lei; Su, Yan-Min; Jagodič, Marko; Jagličić, Zvonko; Sun, Di","A rod-like hexanuclear nickel cluster based on a bi(pyrazole-alcohol) ligand: structure, electrospray ionization mass spectrometry, magnetism and photocurrent response","New Journal of Chemistry","2020","44","17","7152","7157","10.1039/D0NJ00959H","","","0.71073","MoKα","","0.0722","0.0441","","","0.0878","0.0995","","","","","","1.024","","","","has coordinates","257735","2020-10-21","18:00:00",""
"7059462","8.6784","0.0003","9.857","0.0004","14.6836","0.0005","74.229","0.003","84.864","0.003","75.053","0.003","1167.64","0.08","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 N6 O2 -","- C28 H24 N6 O2 -","- C56 H48 N12 O4 -","2","1","","Esteves, Catarina V.; Costa, Judite; Bernard, Hélène; Tripier, Raphaël; Delgado, Rita","A squaraine-based dipicolylamine derivative acting as a turn-on mercury(ii) fluorescent probe in water","New Journal of Chemistry","2020","44","16","6589","6600","10.1039/D0NJ00852D","","x-ray","0.71073","MoKα","","0.068","0.044","","","0.0892","0.1009","","","","","","1.016","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7059463","9.4902","0.0003","12.2629","0.0005","12.5114","0.0005","113.97","0.004","102.843","0.003","97.774","0.003","1254.92","0.1","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H25.5 Cu2 I2 N3.5 P -","- C22 H25.5 Cu2 I2 N3.5 P -","- C44 H51 Cu4 I4 N7 P2 -","2","1","","Artem’ev, Alexander V.; Baranov, Andrey Yu.; Rakhmanova, Mariana I.; Malysheva, Svetlana F.; Samsonenko, Denis G.","Copper(i) halide polymers derived from tris[2-(pyridin-2-yl)ethyl]phosphine: halogen-tunable colorful luminescence spanning from deep blue to green","New Journal of Chemistry","2020","44","17","6916","6922","10.1039/D0NJ00894J","","x-ray","0.71073","MoKα","","0.0327","0.025","","","0.0502","0.0526","","","","","","1.01","","","","has coordinates,has disorder","257742","2020-10-21","18:00:00",""
"7059464","25.55266","0.00016","14.23673","0.00006","16.34599","0.0001","90","","104.982","0.0007","90","","5744.31","0.06","159.99","0.1","159.99","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52 H50 Br4 Cl4 N4 O4 P2 Re2 -","- C52 H50 Br4 Cl4 N4 O4 P2 Re2 -","- C208 H200 Br16 Cl16 N16 O16 P8 Re8 -","4","0.5","","Mukiza, Janvier; Blacque, Olivier; Habarurema, Gratien; Kampire, Edwige","The reaction of oxidorhenium(v) with dipodal and tripodal aroylhydrazines: formation of dinuclear and trinuclear aroylhydrazone-bridged rhenium(v) complexes","New Journal of Chemistry","2020","44","17","7080","7090","10.1039/D0NJ00182A","","x-ray","1.54184","CuKα","","0.0362","0.0354","","","0.0951","0.0958","","","","","","1.05","","","","has coordinates,has disorder","257737","2020-10-21","18:00:00",""
"7059465","15.75942","0.00009","14.2297","0.00007","25.4385","0.00012","90","","98.728","0.0005","90","","5638.57","0.05","120","0.1","120","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H58 Cl4 N4 O6 P2 Re2 -","- C56 H58 Cl4 N4 O6 P2 Re2 -","- C224 H232 Cl16 N16 O24 P8 Re8 -","4","1","","Mukiza, Janvier; Blacque, Olivier; Habarurema, Gratien; Kampire, Edwige","The reaction of oxidorhenium(v) with dipodal and tripodal aroylhydrazines: formation of dinuclear and trinuclear aroylhydrazone-bridged rhenium(v) complexes","New Journal of Chemistry","2020","44","17","7080","7090","10.1039/D0NJ00182A","","x-ray","1.54184","CuKα","","0.0366","0.0359","","","0.0985","0.0992","","","","","","1.043","","","","has coordinates","257737","2020-10-21","18:00:00",""
"7059466","19.7456","0.0005","15.7521","0.0004","26.807","0.0007","90","","96.356","0.003","90","","8286.7","0.4","160","1","160","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C79.25 H82.64 Br4.15 Cl1.65 N6 O8.9 P2.9 Re2.9 -","- C70.2378 H64.6294 Br4.146 Cl1.662 N6 O5.9021 P2.9021 Re2.9021 -","- C280.951 H258.518 Br16.584 Cl6.648 N24 O23.6084 P11.6084 Re11.6084 -","4","1","","Mukiza, Janvier; Blacque, Olivier; Habarurema, Gratien; Kampire, Edwige","The reaction of oxidorhenium(v) with dipodal and tripodal aroylhydrazines: formation of dinuclear and trinuclear aroylhydrazone-bridged rhenium(v) complexes","New Journal of Chemistry","2020","44","17","7080","7090","10.1039/D0NJ00182A","","x-ray","0.71073","MoKα","","0.0371","0.0299","","","0.072","0.0758","","","","","","1.042","","","","has coordinates,has disorder","257737","2020-10-21","18:00:00",""
"7059467","25.92","0.003","5.4308","0.0006","18.988","0.002","90","","103.173","0.013","90","","2602.5","0.5","295","","295","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C112 H120 N8 O24 -","8","1","","Surya Prakash Rao, H.; Padder, Ashiq Hussain","Blaise reaction: synthesis, skeletal diversification of C(4) substituted 5-ylidenepyrrol-(5H)-ones and the role of the strategically located ester on the reactivity of the nitriles","New Journal of Chemistry","2020","44","21","9010","9017","10.1039/D0NJ00231C","","","0.71073","MoKα","","0.1071","0.0615","","","0.1544","0.1904","","","","","","1.046","","","","has coordinates","257874","2020-10-21","18:00:00",""
"7059468","16.6907","0.0012","4.2138","0.0003","19.6741","0.0012","90","","103.083","0.007","90","","1347.79","0.16","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Surya Prakash Rao, H.; Padder, Ashiq Hussain","Blaise reaction: synthesis, skeletal diversification of C(4) substituted 5-ylidenepyrrol-(5H)-ones and the role of the strategically located ester on the reactivity of the nitriles","New Journal of Chemistry","2020","44","21","9010","9017","10.1039/D0NJ00231C","","","0.71073","MoKα","","0.0456","0.0379","","","0.0978","0.1054","","","","","","1.0538","","","","has coordinates","257874","2020-10-21","18:00:00",""
"7059469","32.5866","0.0011","19.2718","0.0006","29.1207","0.0009","90","","97.531","0.001","90","","18130.1","1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C209 H405 Ag62 F45 N14 O47 S40 -","- C209 H405 Ag62 F45 N14 O47 S40 -","- C418 H810 Ag124 F90 N28 O94 S80 -","2","0.5","","Feng, Yu-Hui; Lin, Zhi-Sheng; Liu, Si-Qing; Shi, Ju-Feng; Zhou, Kun; Ji, Jiu-Yu; Bi, Yan-Feng","A stably discrete 31-nuclearity silver(i) thiolate nanocluster luminescent thermometer supported by DMF auxiliary ligands","New Journal of Chemistry","2020","44","3","663","","10.1039/C9NJ05076K","","","0.71073","MoKα","","0.0848","0.0539","","","0.1069","0.1191","","","","","","1.027","","","","has coordinates,has disorder","250141","2020-10-21","18:00:00",""
"7059470","5.9982","0.0006","10.1384","0.0008","12.369","0.0012","71.952","0.008","82.221","0.008","73.411","0.008","684.5","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H7 Cl3 N S Se -","- C12 H7 Cl3 N S Se -","- C24 H14 Cl6 N2 S2 Se2 -","2","1","","Romito, Deborah; Biot, Nicolas; Babudri, Francesco; Bonifazi, Davide","Non-covalent bridging of bithiophenes through chalcogen bonding grips","New Journal of Chemistry","2020","44","17","6732","6738","10.1039/C9NJ06202E","","","0.71073","MoKα","","0.0671","0.0446","","","0.0767","0.0932","","","","","","1.096","","","","has coordinates","257746","2020-10-21","18:00:00",""
"7059471","11.2104","0.0006","4.0802","0.0002","48.882","0.003","90","","90","","90","0.006","2235.9","0.2","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H6 Br N S Te -","- C11 H6 Br N S Te -","- C88 H48 Br8 N8 S8 Te8 -","8","2","","Romito, Deborah; Biot, Nicolas; Babudri, Francesco; Bonifazi, Davide","Non-covalent bridging of bithiophenes through chalcogen bonding grips","New Journal of Chemistry","2020","44","17","6732","6738","10.1039/C9NJ06202E","","","0.71073","MoKα","","0.0918","0.0683","","","0.1513","0.174","","","","","","1.056","","","","has coordinates","257746","2020-10-21","18:00:00",""
"7059472","20.6424","0.0007","4.1588","0.0001","11.6051","0.0004","90","","91.535","0.003","90","","995.91","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 N2 S2 Te2 -","- C22 H12 N2 S2 Te2 -","- C44 H24 N4 S4 Te4 -","2","0.5","","Romito, Deborah; Biot, Nicolas; Babudri, Francesco; Bonifazi, Davide","Non-covalent bridging of bithiophenes through chalcogen bonding grips","New Journal of Chemistry","2020","44","17","6732","6738","10.1039/C9NJ06202E","","","0.71073","MoKα","","0.0319","0.0221","","","0.045","0.0491","","","","","","1.064","","","","has coordinates","257746","2020-10-21","18:00:00",""
"7059473","11.9421","0.0006","7.2245","0.0004","24.8025","0.0011","90","","90","","90","","2139.85","0.19","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C10 H5 Br N2 S Te -","- C10 H5 Br N2 S Te -","- C80 H40 Br8 N16 S8 Te8 -","8","1","","Romito, Deborah; Biot, Nicolas; Babudri, Francesco; Bonifazi, Davide","Non-covalent bridging of bithiophenes through chalcogen bonding grips","New Journal of Chemistry","2020","44","17","6732","6738","10.1039/C9NJ06202E","","","0.71073","MoKα","","0.0346","0.0253","","","0.0485","0.0516","","","","","","1.038","","","","has coordinates","257746","2020-10-21","18:00:00",""
"7059474","7.8741","0.0005","9.1095","0.0006","11.9118","0.0007","102.589","0.006","108.164","0.006","96.805","0.005","776.15","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H32 F6 N8 Ni O8 S2 -","- C18 H32 F6 N8 Ni O8 S2 -","- C18 H32 F6 N8 Ni O8 S2 -","1","0.5","","Zelenkov, Lev E.; Kuznetsov, Maxim L.; Andrusenko, Elena V.; Avdontceva, Margarita S.; Starova, Galina L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Nickel(ii)-mediated cyanamide‒pyrazole coupling highlights distinct reactivity of NCNR2 and NCR nitrile ligands","New Journal of Chemistry","2020","44","17","6979","6991","10.1039/D0NJ00704H","","","1.54184","CuKα","","0.041","0.0354","","","0.0881","0.0928","","","","","","1.051","","","","has coordinates","257734","2020-10-21","18:00:00",""
"7059475","9.6235","0.0007","8.0534","0.0005","16.8565","0.0012","90","","103.297","0.007","90","","1271.39","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 N14 Ni O6 -","- C18 H28 N14 Ni O6 -","- C36 H56 N28 Ni2 O12 -","2","0.5","","Zelenkov, Lev E.; Kuznetsov, Maxim L.; Andrusenko, Elena V.; Avdontceva, Margarita S.; Starova, Galina L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Nickel(ii)-mediated cyanamide‒pyrazole coupling highlights distinct reactivity of NCNR2 and NCR nitrile ligands","New Journal of Chemistry","2020","44","17","6979","6991","10.1039/D0NJ00704H","","x-ray","1.54184","CuKα","","0.0505","0.0413","","","0.0891","0.0932","","","","","","1.082","","","","has coordinates","257734","2020-10-21","18:00:00",""
"7059476","9.638","0.0006","10.2071","0.0009","10.3141","0.0009","101.057","0.008","101.885","0.006","111.644","0.007","882.01","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H36 F6 N12 Ni O6 S2 -","- C24 H36 F6 N12 Ni O6 S2 -","- C24 H36 F6 N12 Ni O6 S2 -","1","0.5","","Zelenkov, Lev E.; Kuznetsov, Maxim L.; Andrusenko, Elena V.; Avdontceva, Margarita S.; Starova, Galina L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Nickel(ii)-mediated cyanamide‒pyrazole coupling highlights distinct reactivity of NCNR2 and NCR nitrile ligands","New Journal of Chemistry","2020","44","17","6979","6991","10.1039/D0NJ00704H","","x-ray","0.71073","MoKα","","0.0685","0.0545","","","0.1352","0.1487","","","","","","1.068","","","","has coordinates","257734","2020-10-21","18:00:00",""
"7059477","25.009","0.002","9.6962","0.0004","17.1351","0.0017","90","","131.427","0.016","90","","3115.5","0.9","100.01","0.1","100.01","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C20 H28 F6 N12 Ni O6 S2 -","- C20 H28 F6 N12 Ni O6 S2 -","- C80 H112 F24 N48 Ni4 O24 S8 -","4","1","","Zelenkov, Lev E.; Kuznetsov, Maxim L.; Andrusenko, Elena V.; Avdontceva, Margarita S.; Starova, Galina L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Nickel(ii)-mediated cyanamide‒pyrazole coupling highlights distinct reactivity of NCNR2 and NCR nitrile ligands","New Journal of Chemistry","2020","44","17","6979","6991","10.1039/D0NJ00704H","","","0.71073","MoKα","","0.0341","0.031","","","0.0684","0.071","","","","","","1.033","","","","has coordinates","257734","2020-10-21","18:00:00",""
"7059478","8.7256","0.0004","10.0265","0.0006","12.205","0.0007","82.723","0.005","72.312","0.005","84.509","0.004","1007.26","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H44 F6 N12 Ni O8 S2 -","- C30 H44 F6 N12 Ni O8 S2 -","- C30 H44 F6 N12 Ni O8 S2 -","1","0.5","","Zelenkov, Lev E.; Kuznetsov, Maxim L.; Andrusenko, Elena V.; Avdontceva, Margarita S.; Starova, Galina L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Nickel(ii)-mediated cyanamide‒pyrazole coupling highlights distinct reactivity of NCNR2 and NCR nitrile ligands","New Journal of Chemistry","2020","44","17","6979","6991","10.1039/D0NJ00704H","","","0.71073","MoKα","","0.0462","0.0347","","","0.0741","0.0808","","","","","","1.028","","","","has coordinates","257734","2020-10-21","18:00:00",""
"7059479","9.5039","0.0007","9.5463","0.0007","9.7514","0.0008","78.526","0.006","61.114","0.008","71.962","0.007","735.27","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H36 N14 Ni O6 -","- C22 H36 N14 Ni O6 -","- C22 H36 N14 Ni O6 -","1","0.5","","Zelenkov, Lev E.; Kuznetsov, Maxim L.; Andrusenko, Elena V.; Avdontceva, Margarita S.; Starova, Galina L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Nickel(ii)-mediated cyanamide‒pyrazole coupling highlights distinct reactivity of NCNR2 and NCR nitrile ligands","New Journal of Chemistry","2020","44","17","6979","6991","10.1039/D0NJ00704H","","x-ray","1.54184","CuKα","","0.0586","0.0551","","","0.1447","0.1479","","","","","","1.056","","","","has coordinates","257734","2020-10-21","18:00:00",""
"7059480","8.3309","0.0004","9.7597","0.0004","18.0944","0.0011","90","","98.938","0.005","90","","1453.34","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 N14 Ni O6 -","- C24 H36 N14 Ni O6 -","- C48 H72 N28 Ni2 O12 -","2","0.5","","Zelenkov, Lev E.; Kuznetsov, Maxim L.; Andrusenko, Elena V.; Avdontceva, Margarita S.; Starova, Galina L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Nickel(ii)-mediated cyanamide‒pyrazole coupling highlights distinct reactivity of NCNR2 and NCR nitrile ligands","New Journal of Chemistry","2020","44","17","6979","6991","10.1039/D0NJ00704H","","x-ray","1.54184","CuKα","","0.0849","0.07","","","0.1762","0.186","","","","","","1.075","","","","has coordinates,has disorder","257734","2020-10-21","18:00:00",""
"7059481","19.9358","0.0011","9.2467","0.0003","16.9617","0.001","90","","126.983","0.008","90","","2497.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H28 Cl2 N12 Ni -","- C18 H28 Cl2 N12 Ni -","- C72 H112 Cl8 N48 Ni4 -","4","0.5","","Zelenkov, Lev E.; Kuznetsov, Maxim L.; Andrusenko, Elena V.; Avdontceva, Margarita S.; Starova, Galina L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Nickel(ii)-mediated cyanamide‒pyrazole coupling highlights distinct reactivity of NCNR2 and NCR nitrile ligands","New Journal of Chemistry","2020","44","17","6979","6991","10.1039/D0NJ00704H","","","0.71073","MoKα","","0.0347","0.0302","","","0.0688","0.0715","","","","","","1.057","","","","has coordinates","257734","2020-10-21","18:00:00",""
"7059482","12.2655","0.0003","8.3615","0.0002","13.5192","0.0003","90","","102.388","0.003","90","","1354.22","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","CMS31","","- C14 H7 Eu N2 O8 -","- C14 H7 Eu N2 O8 -","- C56 H28 Eu4 N8 O32 -","4","1","","da Silva, Caroline Moraes; Ellena, Javier; Frem, Regina Célia Galvão","Chemical transformation of a luminescent two-dimensional Eu(iii) coordination polymer in the aqueous phase","New Journal of Chemistry","2020","44","24","10146","10152","10.1039/C9NJ06075H","","x-ray","0.71073","MoKα","","0.0346","0.0306","","","0.0723","0.0751","","","","","","1.227","","","","has coordinates","257648","2020-10-21","18:00:00",""
"7059483","8.0088","0.0012","10.6117","0.0017","14.9158","0.0017","109.692","0.009","102.822","0.008","94.425","0.01","1147.7","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cl2 Cu2 N8 O10 -","- C16 H18 Cl2 Cu2 N8 O10 -","- C32 H36 Cl4 Cu4 N16 O20 -","2","1","","Mondal, Antu; Das, Chandrima; Corbella, Montse; Bauzá, Antonio; Frontera, Antonio; Saha, Moumita; Mondal, Sanchaita; Das Saha, Krishna; Chattopadhyay, Shyamal Kumar","Biological promiscuity of a binuclear Cu(ii) complex of aminoguanidine Schiff base: DNA binding, anticancer activity and histidine sensing ability of the complex","New Journal of Chemistry","2020","44","18","7319","7328","10.1039/C9NJ05712A","","","0.71073","MoKα","","0.0663","0.0589","","","0.1527","0.165","","","","","","1.057","","","","has coordinates","257853","2020-10-21","18:00:00",""
"7059484","15.626","0.0006","15.1781","0.0006","16.3393","0.0006","90","","104.658","0.002","90","","3749.1","0.3","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Mixed phosphine/thiocarbamoyloyrazoline Gold(I) complex","","- C36 H36 Au F6 N3 O P2 S -","- C36 H36 Au F6 N3 O P2 S -","- C144 H144 Au4 F24 N12 O4 P8 S4 -","4","1","","Favarin, Lis R. V.; Laranjeira, G. B.; Teixeira, Cristiane F. A.; Silva, Heveline; Micheletti, A. C.; Pizzuti, Lucas; Machulek Júnior, Amilcar; Caires, Anderson R. L.; Deflon, Victor M.; Pesci, Rafaela B. P.; Rocha, C. N. Lima; Correa, J. R.; Pinto, L. M. C.; Casagrande, Gleison Antônio","Harvesting greenish blue luminescence in gold(i) complexes and their application as promising bioactive molecules and cellular bioimaging agents","New Journal of Chemistry","2020","44","17","6862","6871","10.1039/D0NJ01339K","","x-ray","0.71073","MoKα","","0.0333","0.0254","","","0.0671","0.0718","","","","","","1.019","","","","has coordinates,has disorder","257743","2020-10-21","18:00:00",""
"7059485","15.5446","0.0003","14.8994","0.0003","16.1594","0.0004","90","","105.913","0.001","90","","3599.18","0.14","296","2","296","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","Mixed phosphine/thiocarbamoyloyrazoline Gold(I) complex","","- C35 H34 Au Cl0 F6 K0 N3 O P2 S -","- C35 H34 Au F6 N3 O P2 S -","- C140 H136 Au4 F24 N12 O4 P8 S4 -","4","1","","Favarin, Lis R. V.; Laranjeira, G. B.; Teixeira, Cristiane F. A.; Silva, Heveline; Micheletti, A. C.; Pizzuti, Lucas; Machulek Júnior, Amilcar; Caires, Anderson R. L.; Deflon, Victor M.; Pesci, Rafaela B. P.; Rocha, C. N. Lima; Correa, J. R.; Pinto, L. M. C.; Casagrande, Gleison Antônio","Harvesting greenish blue luminescence in gold(i) complexes and their application as promising bioactive molecules and cellular bioimaging agents","New Journal of Chemistry","2020","44","17","6862","6871","10.1039/D0NJ01339K","","x-ray","0.71073","MoKα","","0.0391","0.0302","","","0.072","0.0757","","","","","","1.028","","","","has coordinates","257743","2020-10-21","18:00:00",""
"7059486","15.73","0.004","14.896","0.005","16.543","0.005","90","","105.515","0.01","90","","3735","1.9","299","2","299","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Mixed phosphine/thiocarbamoyloyrazoline Gold(I) complex","","- C36 H36 Au F6 N3 O2 P2 S -","- C36 H36 Au F6 N3 O2 P2 S -","- C144 H144 Au4 F24 N12 O8 P8 S4 -","4","1","","Favarin, Lis R. V.; Laranjeira, G. B.; Teixeira, Cristiane F. A.; Silva, Heveline; Micheletti, A. C.; Pizzuti, Lucas; Machulek Júnior, Amilcar; Caires, Anderson R. L.; Deflon, Victor M.; Pesci, Rafaela B. P.; Rocha, C. N. Lima; Correa, J. R.; Pinto, L. M. C.; Casagrande, Gleison Antônio","Harvesting greenish blue luminescence in gold(i) complexes and their application as promising bioactive molecules and cellular bioimaging agents","New Journal of Chemistry","2020","44","17","6862","6871","10.1039/D0NJ01339K","","x-ray","0.71073","MoKα","","0.0728","0.0401","","","0.0958","0.1097","","","","","","1.036","","","","has coordinates","288220","2023-12-11","22:07:22",""
"7059487","9.0754","0.0006","9.9135","0.0007","9.9267","0.0006","69.799","0.006","77.933","0.006","67.701","0.006","772.34","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","9.(I3)2","","- C13 H13 I3 N2 -","- C13 H13 I3 N2 -","- C26 H26 I6 N4 -","2","1","","Yang, Songjie; Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","One step conversion of 1,5-bis(dimethylamino)naphthalene to salts of “back to back” bis-acridine derivatives","New Journal of Chemistry","2020","44","23","9621","9625","10.1039/D0NJ00757A","","x-ray","0.71073","MoKα","","0.0568","0.0385","","","0.0698","0.0827","","","","","","1.017","","","","has coordinates","257854","2020-10-21","18:00:00",""
"7059488","7.2711","0.0004","13.2126","0.0007","15.6117","0.0007","86.844","0.004","77.551","0.004","80.64","0.004","1444.74","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","9(TCNQ)4","","- C37 H21 N10 -","- C37 H21 N10 -","- C74 H42 N20 -","2","1","","Yang, Songjie; Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","One step conversion of 1,5-bis(dimethylamino)naphthalene to salts of “back to back” bis-acridine derivatives","New Journal of Chemistry","2020","44","23","9621","9625","10.1039/D0NJ00757A","","","0.71073","MoKα","","0.1039","0.0584","","","0.1195","0.1422","","","","","","1.027","","","","has coordinates","257854","2020-10-21","18:00:00",""
"7059489","11.4701","0.0004","11.7251","0.0004","13.159","0.0004","74.899","0.003","67.021","0.003","86.962","0.002","1570.67","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","10.TCNQ-F4","","- C39 H29 F4 N8 -","- C39 H29 F4 N8 -","- C78 H58 F8 N16 -","2","1","","Yang, Songjie; Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","One step conversion of 1,5-bis(dimethylamino)naphthalene to salts of “back to back” bis-acridine derivatives","New Journal of Chemistry","2020","44","23","9621","9625","10.1039/D0NJ00757A","","","0.71073","MoKα","","0.0917","0.0515","","","0.1135","0.1308","","","","","","1.027","","","","has coordinates","257854","2020-10-21","18:00:00",""
"7059490","8.5051","0.0005","5.7663","0.0003","13.3375","0.0007","90","","90.705","0.005","90","","654.06","0.06","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C32 H28 O4 -","2","0.5","","Morita, Masato; Yamada, Shigeyuki; Konno, Tsutomu","Fluorine-induced emission enhancement of tolanes via formation of tight molecular aggregates","New Journal of Chemistry","2020","44","17","6704","6708","10.1039/D0NJ01268H","","x-ray","0.71073","MoKα","","0.0502","0.0432","","","0.117","0.1229","","","","","","1.091","","","","has coordinates","257738","2020-10-21","18:00:00",""
"7059491","6.0792","0.0003","7.7395","0.0003","28.2605","0.0015","90","","106.747","0.005","90","","1273.26","0.11","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N O -","- C16 H11 N O -","- C64 H44 N4 O4 -","4","1","","Morita, Masato; Yamada, Shigeyuki; Konno, Tsutomu","Fluorine-induced emission enhancement of tolanes via formation of tight molecular aggregates","New Journal of Chemistry","2020","44","17","6704","6708","10.1039/D0NJ01268H","","x-ray","0.71073","MoKα","","0.0672","0.0466","","","0.1352","0.1533","","","","","","1.046","","","","has coordinates","257738","2020-10-21","18:00:00",""
"7059492","5.6304","0.0005","8.4095","0.0009","15.7707","0.0014","95.118","0.008","96.805","0.007","92.702","0.008","737.25","0.12","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H7 F7 O -","- C16 H7 F7 O -","- C32 H14 F14 O2 -","2","1","","Morita, Masato; Yamada, Shigeyuki; Konno, Tsutomu","Fluorine-induced emission enhancement of tolanes via formation of tight molecular aggregates","New Journal of Chemistry","2020","44","17","6704","6708","10.1039/D0NJ01268H","","x-ray","0.71073","MoKα","","0.0853","0.0469","","","0.1434","0.1675","","","","","","1.023","","","","has coordinates,has disorder","257738","2020-10-21","18:00:00",""
"7059493","6.2167","0.0003","7.5783","0.0004","28.6871","0.0014","90","","90","","90","","1351.51","0.12","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H11 F3 O -","- C16 H11 F3 O -","- C64 H44 F12 O4 -","4","1","","Morita, Masato; Yamada, Shigeyuki; Konno, Tsutomu","Fluorine-induced emission enhancement of tolanes via formation of tight molecular aggregates","New Journal of Chemistry","2020","44","17","6704","6708","10.1039/D0NJ01268H","","","0.71073","MoKα","","0.0765","0.0574","","","0.1824","0.1998","","","","","","1.07","","","","has coordinates","257738","2020-10-21","18:00:00",""
"7059494","6.2399","0.0003","7.7358","0.0003","28.6607","0.0008","95.911","0.002","90.746","0.003","98.579","0.003","1360.15","0.09","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H7 F4 N O -","- C16 H7 F4 N O -","- C64 H28 F16 N4 O4 -","4","2","","Morita, Masato; Yamada, Shigeyuki; Konno, Tsutomu","Fluorine-induced emission enhancement of tolanes via formation of tight molecular aggregates","New Journal of Chemistry","2020","44","17","6704","6708","10.1039/D0NJ01268H","","x-ray","0.71073","MoKα","","0.0645","0.0422","","","0.1382","0.1558","","","","","","1.005","","","","has coordinates","257738","2020-10-21","18:00:00",""
"7059495","7.3516","0.0004","8.506","0.0005","12.5385","0.0007","100.778","0.005","96.71","0.004","113.627","0.005","689.46","0.08","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 F4 O2 -","- C16 H10 F4 O2 -","- C32 H20 F8 O4 -","2","1","","Morita, Masato; Yamada, Shigeyuki; Konno, Tsutomu","Fluorine-induced emission enhancement of tolanes via formation of tight molecular aggregates","New Journal of Chemistry","2020","44","17","6704","6708","10.1039/D0NJ01268H","","x-ray","0.71073","MoKα","","0.068","0.0434","","","0.1305","0.1455","","","","","","1.081","","","","has coordinates","257738","2020-10-21","18:00:00",""
"7059496","15.1265","0.0016","7.2749","0.0007","16.0388","0.0016","90","","103.411","0.007","90","","1716.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 N O6 -","- C18 H23 N O6 -","- C72 H92 N4 O24 -","4","1","","Bertho, Sylvain; Dondasse, Ismaël; Retailleau, Pascal; Nicolas, Cyril; Gillaizeau, Isabelle","β-C(sp2)‒H alkylation of enamides using xanthate chemistry","New Journal of Chemistry","2020","44","17","7129","7141","10.1039/D0NJ01209B","","","1.54187","CuKα","","0.1207","0.042","","","0.069","0.0887","","","","","","0.817","","","","has coordinates","257745","2020-10-21","18:00:00",""
"7059497","13.0115","0.0008","17.0106","0.0011","7.8719","0.0005","90","","93.093","0.002","90","","1739.78","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N2 O -","- C20 H26 N2 O -","- C80 H104 N8 O4 -","4","1","","Rad’kova, Natalia Yu.; Kovylina, Tatyana A.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Lyssenko, Konstantin A.; Trifonov, Alexander A.","Amido rare-earth(iii) and Ca(ii) complexes coordinated by tridentate amidinate ligands: synthesis, structure, and catalytic activity in the ring-opening polymerization of rac-lactide and ε-caprolactone","New Journal of Chemistry","2020","44","19","7811","7822","10.1039/D0NJ00042F","","","0.71073","MoKα","","0.0636","0.0507","","","0.1272","0.1366","","","","","","1.028","","","","has coordinates","257770","2020-10-21","18:00:00",""
"7059498","9.0772","0.0002","9.1571","0.0002","20.5591","0.0005","87.995","0.001","78.093","0.001","87.982","0.001","1670.41","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H51 Ca N3 O2 Si2 -","- C30 H51 Ca N3 O2 Si2 -","- C60 H102 Ca2 N6 O4 Si4 -","2","1","","Rad’kova, Natalia Yu.; Kovylina, Tatyana A.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Lyssenko, Konstantin A.; Trifonov, Alexander A.","Amido rare-earth(iii) and Ca(ii) complexes coordinated by tridentate amidinate ligands: synthesis, structure, and catalytic activity in the ring-opening polymerization of rac-lactide and ε-caprolactone","New Journal of Chemistry","2020","44","19","7811","7822","10.1039/D0NJ00042F","","","0.71073","MoKα","","0.0526","0.0352","","","0.0829","0.0883","","","","","","1.032","","","","has coordinates","257770","2020-10-21","18:00:00",""
"7059499","20.9858","0.0013","11.6699","0.0007","20.5963","0.0013","90","","114.895","0.001","90","","4575.4","0.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H68 N5 O2 Si2 Sm -","- C46 H68 N5 O2 Si2 Sm -","- C184 H272 N20 O8 Si8 Sm4 -","4","0.5","","Rad’kova, Natalia Yu.; Kovylina, Tatyana A.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Lyssenko, Konstantin A.; Trifonov, Alexander A.","Amido rare-earth(iii) and Ca(ii) complexes coordinated by tridentate amidinate ligands: synthesis, structure, and catalytic activity in the ring-opening polymerization of rac-lactide and ε-caprolactone","New Journal of Chemistry","2020","44","19","7811","7822","10.1039/D0NJ00042F","","","0.71073","MoKα","","0.0271","0.0236","","","0.0569","0.0579","","","","","","1.035","","","","has coordinates","257770","2020-10-21","18:00:00",""
"7059500","20.9092","0.0009","11.5943","0.0005","20.5513","0.0009","90","","114.994","0.001","90","","4515.6","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H68 N5 O2 Si2 Y -","- C46 H68 N5 O2 Si2 Y -","- C184 H272 N20 O8 Si8 Y4 -","4","0.5","","Rad’kova, Natalia Yu.; Kovylina, Tatyana A.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Lyssenko, Konstantin A.; Trifonov, Alexander A.","Amido rare-earth(iii) and Ca(ii) complexes coordinated by tridentate amidinate ligands: synthesis, structure, and catalytic activity in the ring-opening polymerization of rac-lactide and ε-caprolactone","New Journal of Chemistry","2020","44","19","7811","7822","10.1039/D0NJ00042F","","","0.71073","MoKα","","0.029","0.0261","","","0.0692","0.071","","","","","","1.044","","","","has coordinates","257770","2020-10-21","18:00:00",""
"7059501","12.2041","0.0004","7.295","0.0002","17.0133","0.0006","90","","95.532","0.001","90","","1507.62","0.08","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H31 B10 Fe2 S2 -","- C30 H32 B10 Fe2 S2 -","- C60 H64 B20 Fe4 S4 -","2","1","","Yan, Jian-Feng; Zhu, Gai-Ge; Yuan, Ye; Lin, Cai-Xia; Huang, Shu-Ping; Yuan, Yao-Feng","Carborane bridged ferrocenyl conjugated molecules: synthesis, structure, electrochemistry and photophysical properties","New Journal of Chemistry","2020","44","18","7569","7576","10.1039/D0NJ00826E","","","0.71073","MoKα","","0.0286","0.026","","","0.0489","0.0502","","","","","","1.019","","","","has coordinates","257848","2020-10-21","18:00:00",""
"7059502","13.359","0.003","7.4489","0.0019","32.209","0.008","90","","91.61","0.004","90","","3203.8","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 B10 Fe2 -","- C34 H36 B10 Fe2 -","- C136 H144 B40 Fe8 -","4","1","","Yan, Jian-Feng; Zhu, Gai-Ge; Yuan, Ye; Lin, Cai-Xia; Huang, Shu-Ping; Yuan, Yao-Feng","Carborane bridged ferrocenyl conjugated molecules: synthesis, structure, electrochemistry and photophysical properties","New Journal of Chemistry","2020","44","18","7569","7576","10.1039/D0NJ00826E","","","0.71073","MoKα","","0.0476","0.0357","","","0.0814","0.0864","","","","","","1.061","","","","has coordinates","257848","2020-10-21","18:00:00",""
"7059503","10.6389","0.0016","25.606","0.004","13.673","0.002","90","","95.675","0.003","90","","3706.5","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 B20 Fe2 S -","- C28 H40 B20 Fe2 S -","- C112 H160 B80 Fe8 S4 -","4","1","","Yan, Jian-Feng; Zhu, Gai-Ge; Yuan, Ye; Lin, Cai-Xia; Huang, Shu-Ping; Yuan, Yao-Feng","Carborane bridged ferrocenyl conjugated molecules: synthesis, structure, electrochemistry and photophysical properties","New Journal of Chemistry","2020","44","18","7569","7576","10.1039/D0NJ00826E","","","0.71073","MoKα","","0.0581","0.0396","","","0.0935","0.1034","","","","","","1.018","","","","has coordinates","257848","2020-10-21","18:00:00",""
"7059504","18.49","0.003","10.602","0.002","20.795","0.004","90","","113.026","0.003","90","","3751.7","1.2","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 B20 Fe2 -","- C30 H42 B20 Fe2 -","- C120 H168 B80 Fe8 -","4","1","","Yan, Jian-Feng; Zhu, Gai-Ge; Yuan, Ye; Lin, Cai-Xia; Huang, Shu-Ping; Yuan, Yao-Feng","Carborane bridged ferrocenyl conjugated molecules: synthesis, structure, electrochemistry and photophysical properties","New Journal of Chemistry","2020","44","18","7569","7576","10.1039/D0NJ00826E","","x-ray","0.71073","MoKα","","0.0719","0.0447","","","0.1115","0.1266","","","","","","1.01","","","","has coordinates","257848","2020-10-21","18:00:00",""
"7059505","14.5709","0.0014","17.1752","0.0012","8.9783","0.001","90","","103.868","0.011","90","","2181.4","0.4","170","","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","AMC22","","- C20 H30 Br2 N2 O2 -","- C20 H30 Br2 N2 O2 -","- C80 H120 Br8 N8 O8 -","4","0.5","","Mac Cormack, Andrea S.; Busch, Verónica M.; Japas, M. Laura; Giovanetti, Lisandro; Di Salvo, Florencia; Di Chenna, Pablo H.","The effect of vicinal di-halo substituents on the organogelling properties of aromatic supramolecular gelators and their application as soft templates","New Journal of Chemistry","2020","44","20","8198","8208","10.1039/D0NJ01440K","","","0.71073","MoKα","","0.0879","0.0445","","","0.0706","0.0845","","","","","","0.998","","","","has coordinates","257803","2020-10-21","18:00:00",""
"7059506","16.382","0.002","12.2314","0.0014","9.8293","0.0007","90","","102.916","0.009","90","","1919.7","0.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 Cl2 N O -","- C18 H27 Cl2 N O -","- C72 H108 Cl8 N4 O4 -","4","1","","Mac Cormack, Andrea S.; Busch, Verónica M.; Japas, M. Laura; Giovanetti, Lisandro; Di Salvo, Florencia; Di Chenna, Pablo H.","The effect of vicinal di-halo substituents on the organogelling properties of aromatic supramolecular gelators and their application as soft templates","New Journal of Chemistry","2020","44","20","8198","8208","10.1039/D0NJ01440K","","x-ray","0.71073","MoKα","","0.1241","0.0572","","","0.1136","0.1445","","","","","","1.009","","","","has coordinates","257803","2020-10-21","18:00:00",""
"7059507","9.458","0.0012","9.6384","0.0012","20.324","0.003","90","","100.752","0.009","90","","1820.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C92 H72 N8 O8 -","4","1","","Khanra, Somnath; Ta, Sabyasachi; Ghosh, Milan; Chatterjee, Sudeshna; Mukherjee, Pallabi; Das, Debasis","Al3+ triggered aggregation induced emission of an anthracence based azine derivative in SDS medium","New Journal of Chemistry","2020","44","20","8477","8485","10.1039/D0NJ00968G","","","0.71073","MoKα","","0.1927","0.0583","","","0.1204","0.184","","","","","","1.002","","","","has coordinates","257799","2020-10-21","18:00:00",""
"7059508","26.521","0.003","11.3399","0.0013","19.699","0.002","90","","128.109","0.003","90","","4661.5","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H31 F18 Gd N4 O10 -","- C35 H31 F18 Gd N4 O10 -","- C140 H124 F72 Gd4 N16 O40 -","4","0.5","","Deng, Xiaochun; Ma, Shuqi; Zhu, Mei; Zhang, Li; Lv, Yaohong","Slow relaxation of magnetization for a Tb derivative in a biradical-based lanthanide chain","New Journal of Chemistry","2020","44","19","7858","7864","10.1039/D0NJ00188K","","","0.71073","MoKα","","0.074","0.0529","","","0.1205","0.1342","","","","","","1.068","","","","has coordinates,has disorder","257767","2020-10-21","18:00:00",""
"7059509","26.4498","0.0015","11.272","0.0007","19.6876","0.0012","90","","128.178","0.003","90","","4614.1","0.5","173","2","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H31 F18 N4 O10 Y -","- C35 H31 F18 N4 O10 Y -","- C140 H124 F72 N16 O40 Y4 -","4","0.5","","Deng, Xiaochun; Ma, Shuqi; Zhu, Mei; Zhang, Li; Lv, Yaohong","Slow relaxation of magnetization for a Tb derivative in a biradical-based lanthanide chain","New Journal of Chemistry","2020","44","19","7858","7864","10.1039/D0NJ00188K","","","0.71073","MoKα","","0.1204","0.0703","","","0.174","0.2084","","","","","","1.038","","","","has coordinates","257767","2020-10-21","18:00:00",""
"7059510","26.503","0.003","11.3052","0.0012","19.672","0.002","90","","128.101","0.003","90","","4638.3","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H31 F18 N4 O10 Tb -","- C35 H31 F18 N4 O10 Tb -","- C140 H124 F72 N16 O40 Tb4 -","4","0.5","","Deng, Xiaochun; Ma, Shuqi; Zhu, Mei; Zhang, Li; Lv, Yaohong","Slow relaxation of magnetization for a Tb derivative in a biradical-based lanthanide chain","New Journal of Chemistry","2020","44","19","7858","7864","10.1039/D0NJ00188K","","","0.71073","MoKα","","0.1028","0.0688","","","0.1479","0.1689","","","","","","1.081","","","","has coordinates","257767","2020-10-21","18:00:00",""
"7059511","26.418","0.002","11.2431","0.0004","21.1128","0.0018","90","","133.093","0.015","90","","4579.3","1.2","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H31 Dy F18 N4 O10 -","- C35 H31 Dy F18 N4 O10 -","- C140 H124 Dy4 F72 N16 O40 -","4","0.5","","Deng, Xiaochun; Ma, Shuqi; Zhu, Mei; Zhang, Li; Lv, Yaohong","Slow relaxation of magnetization for a Tb derivative in a biradical-based lanthanide chain","New Journal of Chemistry","2020","44","19","7858","7864","10.1039/D0NJ00188K","","x-ray","1.54184","CuKα","","0.0473","0.0457","","","","0.1115","","","","","","1.0209","","","","has coordinates","257767","2020-10-21","18:00:00",""
"7059512","10.8098","0.001","3.9789","0.0004","24.25","0.002","90","","92.803","0.009","90","","1041.77","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 F N2 O3 -","- C11 H9 F N2 O3 -","- C44 H36 F4 N8 O12 -","4","1","","Yogesh Kumar, Gujjenahalli Ramalingaiah; Begum, Noor Shahina; Mohammed Imran, Khan","Mn-mediated oxidative radical cyclization of 2-(azidomethyl)phenyl isocyanides with carbazate: access to quinazoline-2-carboxylates","New Journal of Chemistry","2020","44","17","7001","7006","10.1039/D0NJ00479K","","","0.71073","MoKα","","0.0937","0.0597","","","0.1263","0.1449","","","","","","1.07","","","","has coordinates","257744","2020-10-21","18:00:00",""
"7059513","8.7831","0.0008","8.9008","0.0007","13.3834","0.0012","99.835","0.002","100.128","0.002","106.436","0.002","960.54","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H15 Cl O4 S -","- C23 H15 Cl O4 S -","- C46 H30 Cl2 O8 S2 -","2","1","","Jana, Asim; Bhaumick, Prabhas; Choudhury, Lokman H.","Microwave assisted synthesis of β-keto thioethers and furan derivatives by thiol directed multicomponent reactions","New Journal of Chemistry","2020","44","20","8442","8453","10.1039/D0NJ00587H","","","0.71073","MoKα","","0.0505","0.0391","","","0.0938","0.101","","","","","","1.039","","","","has coordinates","257798","2020-10-21","18:00:00",""
"7059514","13.7724","0.0013","15.3172","0.0015","15.8809","0.0015","80.591","0.002","65.912","0.002","82.455","0.002","3009.5","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H52 O16 S2 -","- C72 H52 O16 S2 -","- C144 H104 O32 S4 -","2","1","","Jana, Asim; Bhaumick, Prabhas; Choudhury, Lokman H.","Microwave assisted synthesis of β-keto thioethers and furan derivatives by thiol directed multicomponent reactions","New Journal of Chemistry","2020","44","20","8442","8453","10.1039/D0NJ00587H","","","0.71073","MoKα","","0.0599","0.0397","","","0.0907","0.1022","","","","","","1.023","","","","has coordinates,has disorder","257798","2020-10-21","18:00:00",""
"7059515","8.0681","0.0003","22.9447","0.0009","21.904","0.0008","90","","95.36","0.004","90","","4037.1","0.3","170","0.1","170","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 Cl6 Fe2 N4 O -","- C35 H30 Cl6 Fe2 N4 O -","- C140 H120 Cl24 Fe8 N16 O4 -","4","1","","Lin, Wenhua; Zhang, Liping; Suo, Hongyi; Vignesh, Arumugam; Yousuf, Nighat; Hao, Xiang; Sun, Wen-Hua","Synthesis of characteristic polyisoprenes using rationally designed iminopyridyl metal (Fe and Co) precatalysts: investigation of co-catalysts and steric influence on their catalytic activity","New Journal of Chemistry","2020","44","19","8076","8084","10.1039/D0NJ00942C","","x-ray","0.71073","MoKα","","0.1151","0.0811","","","0.2125","0.2306","","","","","","1.041","","","","has coordinates","257765","2020-10-21","18:00:00",""
"7059516","17.3261","0.0006","11.7076","0.0003","28.3441","0.001","90","","106.766","0.004","90","","5505.1","0.3","170","0.12","170","0.12","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 Cl5 Fe2 N4 -","- C50 H44 Cl5 Fe2 N4 -","- C200 H176 Cl20 Fe8 N16 -","4","1","","Lin, Wenhua; Zhang, Liping; Suo, Hongyi; Vignesh, Arumugam; Yousuf, Nighat; Hao, Xiang; Sun, Wen-Hua","Synthesis of characteristic polyisoprenes using rationally designed iminopyridyl metal (Fe and Co) precatalysts: investigation of co-catalysts and steric influence on their catalytic activity","New Journal of Chemistry","2020","44","19","8076","8084","10.1039/D0NJ00942C","","x-ray","1.54184","CuKα","","0.1374","0.1178","","","0.3074","0.3179","","","","","","2.033","","","","has coordinates","257765","2020-10-21","18:00:00",""
"7059517","8.9259","0.0002","13.515","0.0003","19.0721","0.0005","88.106","0.002","88.243","0.002","85.866","0.002","2292.57","0.09","170","0.1","170","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H0.5 Cl4 Co2 N4 -","- C50 H44 Cl4 Co2 N4 -","- C100 H88 Cl8 Co4 N8 -","2","1","","Lin, Wenhua; Zhang, Liping; Suo, Hongyi; Vignesh, Arumugam; Yousuf, Nighat; Hao, Xiang; Sun, Wen-Hua","Synthesis of characteristic polyisoprenes using rationally designed iminopyridyl metal (Fe and Co) precatalysts: investigation of co-catalysts and steric influence on their catalytic activity","New Journal of Chemistry","2020","44","19","8076","8084","10.1039/D0NJ00942C","","x-ray","0.71073","MoKα","","0.0644","0.0386","","","0.0839","0.0914","","","","","","1.051","","","","has coordinates","257765","2020-10-21","18:00:00",""
"7059518","10.5711","0.0007","10.4626","0.0006","7.7586","0.0006","90","","107.776","0.007","90","","817.14","0.1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 N3 O2 -","- C9 H7 N3 O2 -","- C36 H28 N12 O8 -","4","1","","Bardovskyi, Rostyslav; Grytsai, Oleksandr; RONCO, Cyril; Benhida, Rachid","Synthesis and Characterization of new Heterocycles related to Aryl[e][1,3]diazepinediones. Rearrangement to 2,4-Diamino-1,3,5-triazine Derivatives.","New Journal of Chemistry","2020","","","","","10.1039/D0NJ01229G","","x-ray","1.54184","CuKα","","0.045","0.0409","","","0.1157","0.1181","","","","","","1.055","","","","has coordinates","251002","2020-10-21","18:00:00",""
"7059519","4.8608","0.0001","24.6111","0.0003","10.3984","0.0002","90","","101.728","0.001","90","","1217.99","0.04","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N5 O2 -","- C12 H13 N5 O2 -","- C48 H52 N20 O8 -","4","1","","Bardovskyi, Rostyslav; Grytsai, Oleksandr; RONCO, Cyril; Benhida, Rachid","Synthesis and Characterization of new Heterocycles related to Aryl[e][1,3]diazepinediones. Rearrangement to 2,4-Diamino-1,3,5-triazine Derivatives.","New Journal of Chemistry","2020","","","","","10.1039/D0NJ01229G","","x-ray","1.54184","CuKα","","0.0417","0.0407","","","0.1071","0.1082","","","","","","1.076","","","","has coordinates","251002","2020-10-21","18:00:00",""
"7059520","24.9167","0.0006","7.5596","0.0002","15.5987","0.0004","90","","99.554","0.002","90","","2897.42","0.13","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 N5 O2 -","- C15 H17 N5 O2 -","- C120 H136 N40 O16 -","8","1","","Bardovskyi, Rostyslav; Grytsai, Oleksandr; RONCO, Cyril; Benhida, Rachid","Synthesis and Characterization of new Heterocycles related to Aryl[e][1,3]diazepinediones. Rearrangement to 2,4-Diamino-1,3,5-triazine Derivatives.","New Journal of Chemistry","2020","","","","","10.1039/D0NJ01229G","","x-ray","1.54184","CuKα","","0.0429","0.0387","","","0.0993","0.1021","","","","","","1.059","","","","has coordinates","251002","2020-10-21","18:00:00",""
"7059521","10.269","0.0004","10.7223","0.0005","12.4618","0.0005","105.159","0.004","98.99","0.003","102.897","0.004","1256.94","0.1","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N6 O3 -","- C26 H26 N6 O3 -","- C52 H52 N12 O6 -","2","1","","Bardovskyi, Rostyslav; Grytsai, Oleksandr; RONCO, Cyril; Benhida, Rachid","Synthesis and Characterization of new Heterocycles related to Aryl[e][1,3]diazepinediones. Rearrangement to 2,4-Diamino-1,3,5-triazine Derivatives.","New Journal of Chemistry","2020","","","","","10.1039/D0NJ01229G","","x-ray","0.71073","MoKα","","0.085","0.0641","","","0.1659","0.1803","","","","","","1.049","","","","has coordinates,has disorder","251002","2020-10-21","18:00:00",""
"7059522","10.6331","0.0005","13.0935","0.0011","14.6411","0.0014","66.598","0.009","74.169","0.007","72.852","0.007","1759.2","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H35 Cl Cu F N6 O7.5 -","- C31 H44 Cl Cu F N6 O8 -","- C62 H88 Cl2 Cu2 F2 N12 O16 -","2","1","","Kumar, Manish; Kumar, Gyanendra; Masram, Dhanraj T.","Copper(ii) complexes containing enoxacin and heterocyclic ligands: synthesis, crystal structures and their biological perspectives","New Journal of Chemistry","2020","44","20","8595","8613","10.1039/D0NJ01192D","","","0.71073","MoKα","","0.1263","0.0977","","","0.2464","0.2662","","","","","","1.058","","","","has coordinates","257801","2020-10-21","18:00:00",""
"7059523","23.3802","0.001","30.3333","0.0012","7.5123","0.0003","90","","97.851","0.004","90","","5277.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H27 Cl Cu N4 O5.5 -","- C24 H16 Cl Cu N4 O5.5 -","- C192 H128 Cl8 Cu8 N32 O44 -","8","1","","Kumar, Manish; Kumar, Gyanendra; Masram, Dhanraj T.","Copper(ii) complexes containing enoxacin and heterocyclic ligands: synthesis, crystal structures and their biological perspectives","New Journal of Chemistry","2020","44","20","8595","8613","10.1039/D0NJ01192D","","","0.71073","MoKα","","0.1183","0.079","","","0.2517","0.285","","","","","","1.065","","","","has coordinates","298328","2025-03-07","16:31:38",""
"7059524","19.258","0.0008","13.3387","0.0005","18.2492","0.0008","90","","116.427","0.005","90","","4197.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H58 N16 O25 Zn4 -","- C88 H58 N16 O25 Zn4 -","- C176 H116 N32 O50 Zn8 -","2","0.25","","Wang, Qingxu; Ye, Zhejun; Shi, Guoqing; Guo, Kaimeng; Li, Gang","Proton conduction in two Cu/Zn dimer-based hydrogen-bonded supramolecular frameworks from imidazole multi-carboxylate","New Journal of Chemistry","2020","44","19","8098","8105","10.1039/D0NJ01189D","","x-ray","1.54184","CuKα","","0.0639","0.0522","","","0.1332","0.1387","","","","","","1.005","","","","has coordinates","257771","2020-10-21","18:00:00",""
"7059525","9.7608","0.0007","11.4406","0.0008","11.5187","0.0008","96.599","0.006","107.619","0.006","113.073","0.007","1087.14","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 Cu2 N8 O15 -","- C48 H34 Cu2 N8 O15 -","- C48 H34 Cu2 N8 O15 -","1","0.5","","Wang, Qingxu; Ye, Zhejun; Shi, Guoqing; Guo, Kaimeng; Li, Gang","Proton conduction in two Cu/Zn dimer-based hydrogen-bonded supramolecular frameworks from imidazole multi-carboxylate","New Journal of Chemistry","2020","44","19","8098","8105","10.1039/D0NJ01189D","","","1.54184","CuKα","","0.0537","0.0429","","","0.1163","0.1262","","","","","","1.023","","","","has coordinates,has disorder","257771","2020-10-21","18:00:00",""
"7059526","17.0306","0.0006","15.5145","0.0006","10.2986","0.0004","90","","113.411","0.002","90","","2497.1","0.17","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N6 O2 S4 Zn -","- C22 H20 N6 O2 S4 Zn -","- C88 H80 N24 O8 S16 Zn4 -","4","0.5","","Yekke-ghasemi, Zahra; Ramezani, Mohammad; Mague, Joel T.; Takjoo, Reza","Synthesis, characterization and bioactivity studies of new dithiocarbazate complexes","New Journal of Chemistry","2020","44","21","8878","8889","10.1039/D0NJ01187H","","","1.54178","CuKα","","0.11","0.0757","","","0.1783","0.2018","","","","","","1.042","","","","has coordinates","257865","2020-10-21","18:00:00",""
"7059527","8.555","0.002","21.607","0.006","13.272","0.004","90","","98.413","0.004","90","","2426.9","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N6 O2 Pd S4 -","- C22 H20 N6 O2 Pd S4 -","- C88 H80 N24 O8 Pd4 S16 -","4","1","","Yekke-ghasemi, Zahra; Ramezani, Mohammad; Mague, Joel T.; Takjoo, Reza","Synthesis, characterization and bioactivity studies of new dithiocarbazate complexes","New Journal of Chemistry","2020","44","21","8878","8889","10.1039/D0NJ01187H","","","0.71073","MoKα","","0.0909","0.063","","","0.1537","0.1693","","","","","","0.982","","","","has coordinates","257865","2020-10-21","18:00:00",""
"7059528","16.812","0.002","15.539","0.002","10.2873","0.0014","90","","112.258","0.002","90","","2487.2","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N6 Ni O2 S4 -","- C22 H20 N6 Ni O2 S4 -","- C88 H80 N24 Ni4 O8 S16 -","4","0.5","","Yekke-ghasemi, Zahra; Ramezani, Mohammad; Mague, Joel T.; Takjoo, Reza","Synthesis, characterization and bioactivity studies of new dithiocarbazate complexes","New Journal of Chemistry","2020","44","21","8878","8889","10.1039/D0NJ01187H","","","0.71073","MoKα","","0.0686","0.0421","","","0.1003","0.1093","","","","","","0.994","","","","has coordinates","257865","2020-10-21","18:00:00",""
"7059529","22.002","0.005","10.401","0.003","22.111","0.005","90","","90","","90","","5060","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N6 O2 Pt S4 -","- C22 H20 N6 O2 Pt S4 -","- C176 H160 N48 O16 Pt8 S32 -","8","1","","Yekke-ghasemi, Zahra; Ramezani, Mohammad; Mague, Joel T.; Takjoo, Reza","Synthesis, characterization and bioactivity studies of new dithiocarbazate complexes","New Journal of Chemistry","2020","44","21","8878","8889","10.1039/D0NJ01187H","","","0.71073","MoKα","","0.0785","0.0402","","","0.0799","0.0915","","","","","","1.005","","","","has coordinates","257865","2020-10-21","18:00:00",""
"7059530","8.4393","0.0016","11.765","0.002","14.287","0.003","86.938","0.003","81.286","0.003","74.585","0.002","1351.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H46 N12 O5 S8 -","- C46 H46 N12 O5 S8 -","- C46 H46 N12 O5 S8 -","1","0.5","","Yekke-ghasemi, Zahra; Ramezani, Mohammad; Mague, Joel T.; Takjoo, Reza","Synthesis, characterization and bioactivity studies of new dithiocarbazate complexes","New Journal of Chemistry","2020","44","21","8878","8889","10.1039/D0NJ01187H","","","0.71073","MoKα","","0.1036","0.0624","","","0.1506","0.1702","","","","","","1.011","","","","has coordinates","257865","2020-10-21","18:00:00",""
"7059531","4.5172","0.0002","13.5286","0.0005","19.8833","0.0007","90","","90","","90","","1215.1","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3Z)-3-({[(ethylsulfanyl)methanethioyl]amino}imino)-2,3-dihydro-1<i>H</i>-indole-2-one","","- C11 H11 N3 O S2 -","- C11 H11 N3 O S2 -","- C44 H44 N12 O4 S8 -","4","1","","Yekke-ghasemi, Zahra; Ramezani, Mohammad; Mague, Joel T.; Takjoo, Reza","Synthesis, characterization and bioactivity studies of new dithiocarbazate complexes","New Journal of Chemistry","2020","44","21","8878","8889","10.1039/D0NJ01187H","","","1.54178","CuKα","","0.0473","0.0461","","","0.1162","0.1173","","","","","","1.094","","","","has coordinates","257865","2020-10-21","18:00:00",""
"7059532","15.82","0.004","15.92","0.004","10.324","0.002","90","","108.978","0.003","90","","2458.8","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Co N6 O2 S4 -","- C22 H20 Co N6 O2 S4 -","- C88 H80 Co4 N24 O8 S16 -","4","1","","Yekke-ghasemi, Zahra; Ramezani, Mohammad; Mague, Joel T.; Takjoo, Reza","Synthesis, characterization and bioactivity studies of new dithiocarbazate complexes","New Journal of Chemistry","2020","44","21","8878","8889","10.1039/D0NJ01187H","","","0.71073","MoKα","","0.0622","0.0405","","","0.0942","0.1018","","","","","","0.987","","","","has coordinates","257865","2020-10-21","18:00:00",""
"7059533","9.4384","0.0001","20.8406","0.0003","22.5998","0.0001","89.33","0.001","83.429","0.001","83.113","0.001","4384.35","0.08","173.01","0.1","173.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C42.5 H35 Cl S12 -","- C42.5 H35 Cl S12 -","- C170 H140 Cl4 S48 -","4","2","","Salami, Fatemeh; Zhao, Yuming","Synthesis and characterization of bis(dithiafulvenyl)-substituted fluorenones and fluorenylidene-1,3-dithioles","New Journal of Chemistry","2020","44","22","9179","9189","10.1039/D0NJ01495H","","x-ray","1.54184","CuKα","","0.0605","0.0539","","","0.1514","0.157","","","","","","1.036","","","","has coordinates","295677","2024-10-30","18:34:33",""
"7059534","12.8667","0.0002","19.3354","0.0003","20.7609","0.0003","99.025","0.001","99.075","0.001","97.79","0.001","4968.67","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H28 O S8 -","- C37 H28 O S8 -","- C222 H168 O6 S48 -","6","3","","Salami, Fatemeh; Zhao, Yuming","Synthesis and characterization of bis(dithiafulvenyl)-substituted fluorenones and fluorenylidene-1,3-dithioles","New Journal of Chemistry","2020","44","22","9179","9189","10.1039/D0NJ01495H","","x-ray","1.54184","CuKα","","0.0956","0.0743","","","0.1938","0.2122","","","","","","1.047","","","","has coordinates,has disorder","257661","2020-10-21","18:00:00",""
"7059535","9.32","0.0001","10.2529","0.0002","35.0079","0.0005","90","","92.202","0.001","90","","3342.78","0.09","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 S4 -","- C36 H50 S4 -","- C144 H200 S16 -","4","1","","Salami, Fatemeh; Zhao, Yuming","Synthesis and characterization of bis(dithiafulvenyl)-substituted fluorenones and fluorenylidene-1,3-dithioles","New Journal of Chemistry","2020","44","22","9179","9189","10.1039/D0NJ01495H","","x-ray","1.54184","CuKα","","0.0758","0.0638","","","0.1731","0.1868","","","","","","1.058","","","","has coordinates","257661","2020-10-21","18:00:00",""
"7059536","7.2762","0.0003","11.2625","0.0003","25.8472","0.0007","88.871","0.002","86.314","0.003","89.709","0.002","2113.32","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","[2,2'-(carbonylbis(hydrazin-2-yl-1-ylidenemethylylidene))diphenolato]bis(methanol)tetraoxo-di-molybdenum(vi)","","- C17 H18 Mo2 N4 O9 -","- C17 H18 Mo2 N4 O9 -","- C68 H72 Mo8 N16 O36 -","4","2","","Topić, Edi; Pisk, Jana; Agustin, Dominique; Jendrlin, Martin; Cvijanović, Danijela; Vrdoljak, Višnja; Rubčić, Mirta","Discrete and polymeric ensembles based on dinuclear molybdenum(vi) building blocks with adaptive carbohydrazide ligands: from the design to catalytic epoxidation","New Journal of Chemistry","2020","44","19","8085","8097","10.1039/D0NJ01045F","","","0.71073","MoKα","","0.0597","0.0529","","","0.1176","0.1205","","","","","","1.194","","","","has coordinates","257773","2020-10-21","18:00:00",""
"7059537","7.4466","0.0004","13.857","0.0009","14.064","0.0008","112.516","0.005","98.637","0.004","97.085","0.005","1299.16","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2,2'-(carbonylbis(hydrazin-2-yl-1-ylidenemethylylidene))di(3-methoxyphenolato))bis(methanol)tetraoxo-di-molybdenum(vi)methanol solvate","","- C19.64 H22 Mo2 N4 O11.64 -","- C19.64 H22 Mo2 N4 O11.64 -","- C39.28 H44 Mo4 N8 O23.28 -","2","1","","Topić, Edi; Pisk, Jana; Agustin, Dominique; Jendrlin, Martin; Cvijanović, Danijela; Vrdoljak, Višnja; Rubčić, Mirta","Discrete and polymeric ensembles based on dinuclear molybdenum(vi) building blocks with adaptive carbohydrazide ligands: from the design to catalytic epoxidation","New Journal of Chemistry","2020","44","19","8085","8097","10.1039/D0NJ01045F","","x-ray","0.71073","MoKα","","0.1156","0.0633","","","0.1267","0.1477","","","","","","1.051","","","","has coordinates,has disorder","257773","2020-10-21","18:00:00",""
"7059538","8.2715","0.0003","12.1751","0.0005","15.0901","0.0005","85.958","0.003","87.645","0.003","81.166","0.003","1497.2","0.1","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","2,2'-(carbonylbis(hydrazin-2-yl-1-ylidenemethylylidene)) di(3-methoxyphenolato))bis(imidazol)tetraoxo-di-molybdenum(vi) acetonitrile solvate","","- C25 H25 Mo2 N9 O9 -","- C25 H25 Mo2 N9 O9 -","- C50 H50 Mo4 N18 O18 -","2","1","","Topić, Edi; Pisk, Jana; Agustin, Dominique; Jendrlin, Martin; Cvijanović, Danijela; Vrdoljak, Višnja; Rubčić, Mirta","Discrete and polymeric ensembles based on dinuclear molybdenum(vi) building blocks with adaptive carbohydrazide ligands: from the design to catalytic epoxidation","New Journal of Chemistry","2020","44","19","8085","8097","10.1039/D0NJ01045F","","","0.71073","MoKα","","0.0508","0.0344","","","0.0723","0.0803","","","","","","1.061","","","","has coordinates,has disorder","257773","2020-10-21","18:00:00",""
"7059539","9.6337","0.0005","11.0989","0.0006","13.1012","0.0008","112.619","0.005","98.807","0.005","94.858","0.004","1261.91","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2,2'-(carbonylbis(hydrazin-2-yl-1-ylidenemethylylidene))di(3-methoxyphenolato))bis(methanol)tetraoxo-di-molybdenum(vi)methanol solvate","","- C20 H26 Mo2 N4 O12 -","- C20 H26 Mo2 N4 O12 -","- C40 H52 Mo4 N8 O24 -","2","1","","Topić, Edi; Pisk, Jana; Agustin, Dominique; Jendrlin, Martin; Cvijanović, Danijela; Vrdoljak, Višnja; Rubčić, Mirta","Discrete and polymeric ensembles based on dinuclear molybdenum(vi) building blocks with adaptive carbohydrazide ligands: from the design to catalytic epoxidation","New Journal of Chemistry","2020","44","19","8085","8097","10.1039/D0NJ01045F","","x-ray","0.71073","MoKα","","0.0521","0.0364","","","0.0859","0.0968","","","","","","1.045","","","","has coordinates","257773","2020-10-21","18:00:00",""
"7059540","8.692","0.0004","26.743","0.0008","11.6059","0.0004","90","","96.219","0.004","90","","2681.92","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2'-(carbonylbis(hydrazin-2-yl-1-ylidenemethylylidene))diphenolato)bis(imidazol)tetraoxo-di-molybdenum(vi)) acetonitrile solvate","","- C23 H21 Mo2 N9 O7 -","- C23 H21 Mo2 N9 O7 -","- C92 H84 Mo8 N36 O28 -","4","1","","Topić, Edi; Pisk, Jana; Agustin, Dominique; Jendrlin, Martin; Cvijanović, Danijela; Vrdoljak, Višnja; Rubčić, Mirta","Discrete and polymeric ensembles based on dinuclear molybdenum(vi) building blocks with adaptive carbohydrazide ligands: from the design to catalytic epoxidation","New Journal of Chemistry","2020","44","19","8085","8097","10.1039/D0NJ01045F","","x-ray","0.71073","MoKα","","0.0865","0.0472","","","0.0853","0.0977","","","","","","1.019","","","","has coordinates","257773","2020-10-21","18:00:00",""
"7059541","9.3305","0.0008","10.2881","0.0007","18.0461","0.0016","90","","104.692","0.008","90","","1675.7","0.2","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-bis[(E)-[(2-hydroxy-4-methoxyphenyl)methylidene]amino]urea","","- C17 H18 N4 O5 -","- C17 H18 N4 O5 -","- C68 H72 N16 O20 -","4","0.5","","Topić, Edi; Pisk, Jana; Agustin, Dominique; Jendrlin, Martin; Cvijanović, Danijela; Vrdoljak, Višnja; Rubčić, Mirta","Discrete and polymeric ensembles based on dinuclear molybdenum(vi) building blocks with adaptive carbohydrazide ligands: from the design to catalytic epoxidation","New Journal of Chemistry","2020","44","19","8085","8097","10.1039/D0NJ01045F","","x-ray","0.71073","MoKα","","0.1372","0.0664","","","0.1061","0.1242","","","","","","1.053","","","","has coordinates","257773","2020-10-21","18:00:00",""
"7059542","8.6152","0.0004","13.1856","0.0007","15.5721","0.0008","75.325","0.004","74.393","0.004","85.158","0.004","1647.89","0.15","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","2,2'-(carbonylbis(hydrazin-2-yl-1-ylidenemethylylidene))di(4-methoxyphenolato))bis(imidazol)tetraoxo-di-molybdenum(vi)acetonitrile solvate","","- C27 H28 Mo2 N10 O9 -","- C27 H28 Mo2 N10 O9 -","- C54 H56 Mo4 N20 O18 -","2","1","","Topić, Edi; Pisk, Jana; Agustin, Dominique; Jendrlin, Martin; Cvijanović, Danijela; Vrdoljak, Višnja; Rubčić, Mirta","Discrete and polymeric ensembles based on dinuclear molybdenum(vi) building blocks with adaptive carbohydrazide ligands: from the design to catalytic epoxidation","New Journal of Chemistry","2020","44","19","8085","8097","10.1039/D0NJ01045F","","","0.71073","MoKα","","0.0724","0.0443","","","0.0906","0.1001","","","","","","1.021","","","","has coordinates","257773","2020-10-21","18:00:00",""
"7059543","7.4676","0.0003","11.7394","0.0004","14.8772","0.0006","105.949","0.003","103.394","0.003","96.009","0.003","1199.98","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","2,2'-(carbonylbis(hydrazin-2-yl-1-ylidenemethylylidene))di(4-methoxyphenolato))bis(methanol)tetraoxo-di-molybdenum(vi)","","- C19 H22 Mo2 N4 O11 -","- C19 H22 Mo2 N4 O11 -","- C38 H44 Mo4 N8 O22 -","2","1","","Topić, Edi; Pisk, Jana; Agustin, Dominique; Jendrlin, Martin; Cvijanović, Danijela; Vrdoljak, Višnja; Rubčić, Mirta","Discrete and polymeric ensembles based on dinuclear molybdenum(vi) building blocks with adaptive carbohydrazide ligands: from the design to catalytic epoxidation","New Journal of Chemistry","2020","44","19","8085","8097","10.1039/D0NJ01045F","","x-ray","0.71073","MoKα","","0.0783","0.0433","","","0.0814","0.0929","","","","","","1.001","","","","has coordinates","257773","2020-10-21","18:00:00",""
"7059544","19.1994","0.0004","24.9081","0.0005","14.312","0.0003","90","","120.352","0.002","90","","5906.2","0.2","100","0.1","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C120 H174 Co2 N4 O16 -","- C120 H174 Co2 N4 O16 -","- C240 H348 Co4 N8 O32 -","2","0.5","","Wang, Jin-Hua; Dai, Jing-Wei; Li, Zhao-Yang; Yamashita, Masahiro","Strong antiferromagnetic coupling of the cobalt(ii)‒semiquinone radical in a dinuclear complex with 2,2′-bipyrimidine ligands","New Journal of Chemistry","2020","44","20","8471","8476","10.1039/D0NJ00767F","","","1.54178","CuKα","","0.0603","0.0577","","","0.1493","0.1512","","","","","","1.047","","","","has coordinates,has disorder","257802","2020-10-21","18:00:00",""
"7059545","19.2493","0.0004","25.2702","0.0005","14.4843","0.0003","90","","120.098","0.002","90","","6095.7","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C120 H174 Co2 N4 O16 -","- C120 H174 Co2 N4 O16 -","- C240 H348 Co4 N8 O32 -","2","0.5","","Wang, Jin-Hua; Dai, Jing-Wei; Li, Zhao-Yang; Yamashita, Masahiro","Strong antiferromagnetic coupling of the cobalt(ii)‒semiquinone radical in a dinuclear complex with 2,2′-bipyrimidine ligands","New Journal of Chemistry","2020","44","20","8471","8476","10.1039/D0NJ00767F","","","1.54178","CuKα","","0.075","0.0693","","","0.2099","0.2168","","","","","","1.102","","","","has coordinates,has disorder","257802","2020-10-21","18:00:00",""
"7059546","9.5266","0.0014","11.5135","0.0018","11.6248","0.0016","85.994","0.004","70.409","0.004","78.478","0.005","1177","0.3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H18 N6 O14 Tb2 -","- C33 H18 N6 O14 Tb2 -","- C33 H18 N6 O14 Tb2 -","1","1","","Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of 3D lanthanide based MOFs with pores decorated with basic imidazole groups for selective capture and chemical fixation of CO2","New Journal of Chemistry","2020","44","21","9090","9096","10.1039/D0NJ01448F","","","0.71073","MoKα","","0.0177","0.0172","","","0.0537","0.054","","","","","","0.708","","","","has coordinates","257870","2020-10-21","18:00:00",""
"7059547","8.8627","0.0005","20.0366","0.0016","23.0324","0.0014","90","","90","","90","","4090.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H45 N O9 -","- C45 H45 N O9 -","- C180 H180 N4 O36 -","4","1","","Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of 3D lanthanide based MOFs with pores decorated with basic imidazole groups for selective capture and chemical fixation of CO2","New Journal of Chemistry","2020","44","21","9090","9096","10.1039/D0NJ01448F","","","1.54178","CuKα","","0.153","0.0642","","","0.0903","0.1137","","","","","","0.999","","","","has coordinates,has disorder","257870","2020-10-21","18:00:00",""
"7059548","9.6157","0.0003","11.5773","0.0003","11.719","0.0003","85.891","0.001","69.801","0.001","78.732","0.001","1200.76","0.06","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H18 N6 O14 Sm2 -","- C33 H18 N6 O14 Sm2 -","- C33 H18 N6 O14 Sm2 -","1","1","","Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of 3D lanthanide based MOFs with pores decorated with basic imidazole groups for selective capture and chemical fixation of CO2","New Journal of Chemistry","2020","44","21","9090","9096","10.1039/D0NJ01448F","","","0.71073","MoKα","","0.0214","0.0204","","","0.0622","0.0636","","","","","","0.596","","","","has coordinates","257870","2020-10-21","18:00:00",""
"7059549","9.6328","0.0004","11.5511","0.0004","11.6966","0.0004","86.012","0.001","69.948","0.001","78.615","0.001","1198.52","0.08","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H18 Eu2 N6 O14 -","- C33 H18 Eu2 N6 O14 -","- C33 H18 Eu2 N6 O14 -","1","1","","Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of 3D lanthanide based MOFs with pores decorated with basic imidazole groups for selective capture and chemical fixation of CO2","New Journal of Chemistry","2020","44","21","9090","9096","10.1039/D0NJ01448F","","","0.71073","MoKα","","0.0218","0.0208","","","0.0648","0.0657","","","","","","0.731","","","","has coordinates","257870","2020-10-21","18:00:00",""
"7059550","20.7267","0.0005","13.0349","0.0011","10.1701","0.0002","90","","90","","90","","2747.7","0.2","150","","150","","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C26 H34 N4 O2 Pb Se2 -","- C26 H34 N4 O2 Pb Se2 -","- C104 H136 N16 O8 Pb4 Se8 -","4","0.5","","Klauke, Karsten; Schmitz, Alexa; Swertz, Ann-Christin; Beele, Björn B.; Giesen, Beatriz; Schlüsener, Carsten; Janiak, Christoph; Mohr, Fabian","Acylselenoureato bis(chelates) of lead: synthesis, structural characterization and microwave-assisted formation of PbSe nano- and microstructures","New Journal of Chemistry","2020","44","19","7719","7726","10.1039/D0NJ01433H","","","0.71073","MoKα","","0.0316","0.0254","","","0.043","0.0461","","","","","","0.99","","","","has coordinates","257769","2020-10-21","18:00:00",""
"7059551","8.1942","0.0007","10.8431","0.0008","11.8118","0.0012","64.775","0.008","69.712","0.008","80.596","0.006","890.36","0.15","149.9","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H23 Cl N2 O Se -","- C16 H23 Cl N2 O Se -","- C32 H46 Cl2 N4 O2 Se2 -","2","1","","Klauke, Karsten; Schmitz, Alexa; Swertz, Ann-Christin; Beele, Björn B.; Giesen, Beatriz; Schlüsener, Carsten; Janiak, Christoph; Mohr, Fabian","Acylselenoureato bis(chelates) of lead: synthesis, structural characterization and microwave-assisted formation of PbSe nano- and microstructures","New Journal of Chemistry","2020","44","19","7719","7726","10.1039/D0NJ01433H","","","0.71073","MoKα","","0.0389","0.032","","","0.0661","0.0699","","","","","","1.052","","","","has coordinates","257769","2020-10-21","18:00:00",""
"7059552","10.6871","0.0005","15.844","0.0006","10.4873","0.0004","90","","103.813","0.004","90","","1724.42","0.13","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 Cl N2 O Se -","- C16 H23 Cl N2 O Se -","- C64 H92 Cl4 N8 O4 Se4 -","4","1","","Klauke, Karsten; Schmitz, Alexa; Swertz, Ann-Christin; Beele, Björn B.; Giesen, Beatriz; Schlüsener, Carsten; Janiak, Christoph; Mohr, Fabian","Acylselenoureato bis(chelates) of lead: synthesis, structural characterization and microwave-assisted formation of PbSe nano- and microstructures","New Journal of Chemistry","2020","44","19","7719","7726","10.1039/D0NJ01433H","","","0.71073","MoKα","","0.0405","0.0314","","","0.0712","0.0758","","","","","","1.023","","","","has coordinates","257769","2020-10-21","18:00:00",""
"7059553","14.1737","0.0002","14.1942","0.0002","16.5168","0.0002","90","","95.0944","0.0016","90","","3309.8","0.08","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 N6 O6 Pb Se2 -","- C32 H28 N6 O6 Pb Se2 -","- C128 H112 N24 O24 Pb4 Se8 -","4","1","","Klauke, Karsten; Schmitz, Alexa; Swertz, Ann-Christin; Beele, Björn B.; Giesen, Beatriz; Schlüsener, Carsten; Janiak, Christoph; Mohr, Fabian","Acylselenoureato bis(chelates) of lead: synthesis, structural characterization and microwave-assisted formation of PbSe nano- and microstructures","New Journal of Chemistry","2020","44","19","7719","7726","10.1039/D0NJ01433H","","","0.71073","MoKα","","0.0434","0.0308","","","0.0646","0.07","","","","","","1.036","","","","has coordinates","257769","2020-10-21","18:00:00",""
"7059554","17.9384","0.0005","19.0184","0.0012","10.4156","0.0004","90","","90","","90","","3553.4","0.3","150","","150","","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C32 H44 Cl2 N4 O2 Pb Se2 -","- C32 H44 Cl2 N4 O2 Pb Se2 -","- C128 H176 Cl8 N16 O8 Pb4 Se8 -","4","0.5","","Klauke, Karsten; Schmitz, Alexa; Swertz, Ann-Christin; Beele, Björn B.; Giesen, Beatriz; Schlüsener, Carsten; Janiak, Christoph; Mohr, Fabian","Acylselenoureato bis(chelates) of lead: synthesis, structural characterization and microwave-assisted formation of PbSe nano- and microstructures","New Journal of Chemistry","2020","44","19","7719","7726","10.1039/D0NJ01433H","","","0.71073","MoKα","","0.0299","0.0238","","","0.0465","0.0489","","","","","","1.039","","","","has coordinates","257769","2020-10-21","18:00:00",""
"7059555","24.316","0.006","12.941","0.003","13.661","0.003","90","","110.771","0.005","90","","4019.4","1.6","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 N5 O4 Zn -","- C23 H15 N5 O4 Zn -","- C184 H120 N40 O32 Zn8 -","8","1","","Tang, Jing; Feng, Doudou; Yang, Jie; Ma, Xuehui; Wang, Xiao-Qing","A turn-on luminescent probe for Fe3+ and ascorbic acid with logic gate operation based on a zinc(ii)-based metal‒organic framework","New Journal of Chemistry","2020","44","21","8728","8735","10.1039/D0NJ01349H","","","0.71073","MoKα","","0.2949","0.0971","","","0.0886","0.1216","","","","","","1.002","","","","has coordinates","257869","2020-10-21","18:00:00",""
"7059556","37.913","0.005","6.9331","0.0009","16.006","0.002","90","","102.15","0.005","90","","4113","0.9","100","2","100.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H0 N O3 Rh -","- C23.5 N O4 Rh -","- C188 N8 O32 Rh8 -","8","1","","Sekoto, Pamela N.; Magengenene, Tseliso M.; Matsinha, Leah C.; Tia, Richard; Darkwa, James; Makhubela, Banothile C. E.","Catalytic isomerization‒hydroformylation of olefins by rhodium salicylaldimine pre-catalysts","New Journal of Chemistry","2020","44","21","8751","8762","10.1039/D0NJ01970D","","","0.71073","MoKα","","0.0647","0.0559","","","0.1657","0.1743","","","","","","1.052","","","","has coordinates","257875","2020-10-21","18:00:00",""
"7059557","15.8426","0.0017","7.9016","0.0006","13.7208","0.0014","90","","90.146","0.009","90","","1717.6","0.3","298","2","298","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H12 I2 O4 -","- C16 H12 I2 O4 -","- C64 H48 I8 O16 -","4","0.5","","Norouzi, Fataneh; Khavasi, Hamid Reza","Iodine decorated-UiO-67 MOF as a fluorescent sensor for the detection of halogenated aromatic hydrocarbons","New Journal of Chemistry","2020","44","21","8937","8943","10.1039/D0NJ01149E","","","0.71073","MoKα","","0.0678","0.042","","","0.1068","0.1363","","","","","","1.005","","","","has coordinates","257866","2020-10-21","18:00:00",""
"7059558","14.0549","0.0007","8.6729","0.0004","20.6537","0.0009","90","","90.332","0.002","90","","2517.6","0.2","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 F N4 O5 -","- C29 H23 F N4 O5 -","- C116 H92 F4 N16 O20 -","4","1","","Yue, Guizhou; Dou, Zhengjie; Zhou, Zexi; Zhang, Li; Feng, Juhua; Chen, Huabao; Yin, Zhongqiong; Song, Xu; Liang, Xiaoxia; Wang, Xianxiang; Rao, Hanbing; Lu, Cuifen","Rapid abnormal [3+2]-cycloaddition of isatin N,N′-cyclic azomethine imine 1,3-dipoles with chalcones","New Journal of Chemistry","2020","44","21","8813","8817","10.1039/D0NJ00887G","","","0.71073","MoKα","","0.0717","0.0533","","","0.1245","0.139","","","","","","1.015","","","","has coordinates","257868","2020-10-21","18:00:00",""
"7059559","18.3533","0.0009","6.6978","0.0003","28.1756","0.0017","90","","95.001","0.001","90","","3450.3","0.3","293","2","293","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C50 H44 Cd2 N10 O16 -","- C50 H44 Cd2 N10 O16 -","- C100 H88 Cd4 N20 O32 -","2","0.5","","Meng, Lingshu; Zhao, Lun; Guo, Guanlin; Liu, Xin","Multifunctional polymers with interpenetrating structures: luminescence sensing, ECL behaviors, selective detection of Fe3+ ion and rapid removal of anionic dyes","New Journal of Chemistry","2020","44","21","9025","9036","10.1039/D0NJ01066A","","","0.71073","MoKα","","0.0675","0.0529","","","0.1506","0.1647","","","","","","1.129","","","","has coordinates,has disorder","257864","2020-10-21","18:00:00",""
"7059560","22.455","0.001","13.5382","0.0006","24.5285","0.001","90","","112.062","0.001","90","","6910.7","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H66 N12 O11 Zn2 -","- C68 H66 N12 O11 Zn2 -","- C272 H264 N48 O44 Zn8 -","4","0.5","","Meng, Lingshu; Zhao, Lun; Guo, Guanlin; Liu, Xin","Multifunctional polymers with interpenetrating structures: luminescence sensing, ECL behaviors, selective detection of Fe3+ ion and rapid removal of anionic dyes","New Journal of Chemistry","2020","44","21","9025","9036","10.1039/D0NJ01066A","","","0.71073","MoKα","","0.0998","0.0718","","","0.219","0.2518","","","","","","1.069","","","","has coordinates","257864","2020-10-21","18:00:00",""
"7059561","23.392","0.004","11.662","0.002","27.06","0.005","90","","90","","90","","7382","2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C64 H54 N10 O15 Zn2 -","- C64 H54 N10 O15 Zn2 -","- C256 H216 N40 O60 Zn8 -","4","0.5","","Meng, Lingshu; Zhao, Lun; Guo, Guanlin; Liu, Xin","Multifunctional polymers with interpenetrating structures: luminescence sensing, ECL behaviors, selective detection of Fe3+ ion and rapid removal of anionic dyes","New Journal of Chemistry","2020","44","21","9025","9036","10.1039/D0NJ01066A","","","0.71073","MoKα","","0.1755","0.0975","","","0.2779","0.3464","","","","","","1.183","","","","has coordinates,has disorder","257864","2020-10-21","18:00:00",""
"7059566","16.1535","0.0017","12.4948","0.0011","12.4545","0.0011","90","","98.085","0.004","90","","2488.8","0.4","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N7 Ni O2 -","- C28 H21 N7 Ni O2 -","- C112 H84 N28 Ni4 O8 -","4","1","","Ay, Burak; Şahin, Onur; Saygıdeğer Demir, Burcu; Saygideger, Yasemin; López-de-Luzuriaga, José M.; Mahmoudi, Ghodrat; Safin, Damir A.","Antitumor effects of novel nickel‒hydrazone complexes in lung cancer cells","New Journal of Chemistry","2020","44","21","9064","9072","10.1039/D0NJ00921K","","","0.71073","MoKα","","0.1147","0.0958","","","0.2056","0.2131","","","","","","1.16","","","","has coordinates","257867","2020-10-21","18:00:00",""
"7059567","20.8653","0.0016","13.1792","0.0008","22.2353","0.0017","90","","101.273","0.003","90","","5996.5","0.7","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 N8 Ni O1.5 S2 -","- C29 H25 N8 Ni O1.5 S2 -","- C232 H200 N64 Ni8 O12 S16 -","8","2","","Ay, Burak; Şahin, Onur; Saygıdeğer Demir, Burcu; Saygideger, Yasemin; López-de-Luzuriaga, José M.; Mahmoudi, Ghodrat; Safin, Damir A.","Antitumor effects of novel nickel–hydrazone complexes in lung cancer cells","New Journal of Chemistry","2020","44","21","9064","9072","10.1039/D0NJ00921K","","","0.71073","MoKα","","0.1426","0.1035","","","0.1691","0.1938","","","","","","1.239","","","","has coordinates","295677","2024-10-30","18:34:33",""
"7059568","13.2006","0.0011","14.2388","0.0011","17.0243","0.0012","113.018","0.003","103.338","0.004","97.93","0.004","2771.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 N4 O4 S -","- C30 H28.5 N4 O4 S -","- C120 H114 N16 O16 S4 -","4","2","","Singh, Ruby; Saini, Munna Ram; Bhardwaj, Diksha; Singh, Aakash","An expedient synthesis of new imino-thiazolidinone grafted dispiro-pyrrolidine-oxindole/indeno hybrids via a multicomponent [3+2] cycloaddition reaction in a deep eutectic solvent","New Journal of Chemistry","2020","44","19","7923","7931","10.1039/D0NJ00801J","","","0.71073","MoKα","","0.0873","0.0554","","","0.1612","0.2025","","","","","","0.845","","","","has coordinates","296876","2024-12-16","17:34:42",""
"7059569","14.2043","0.001","15.2626","0.0012","16.5652","0.0014","96.328","0.003","111.526","0.003","114.217","0.003","2899.3","0.4","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C124 H110 Dy4 N6 O26 -","- C124 H110 Dy4 N6 O26 -","- C124 H110 Dy4 N6 O26 -","1","0.5","","Wang, Wen-Min; Hu, Xin-Yan; Yang, Yang; Zhao, Jia-Qi; Zhang, Ya-Xin; Kang, Xiao-Min; Wu, Zhi-Lei","Modulation of magnetic relaxation behaviors via replacing coordinated solvents in a series of linear tetranuclear Dy4 complexes","New Journal of Chemistry","2020","44","20","8494","8502","10.1039/D0NJ01830A","","","0.71073","MoKα","","0.0918","0.0497","","","0.1196","0.1421","","","","","","1.044","","","","has coordinates,has disorder","257804","2020-10-21","18:00:00",""
"7059570","14.6067","0.0009","15.2182","0.0009","16.7747","0.0011","97.174","0.003","111.732","0.003","113.278","0.003","3016.8","0.4","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C130 H122 Dy4 N6 O26 -","- C130 H122 Dy4 N6 O26 -","- C130 H122 Dy4 N6 O26 -","1","0.5","","Wang, Wen-Min; Hu, Xin-Yan; Yang, Yang; Zhao, Jia-Qi; Zhang, Ya-Xin; Kang, Xiao-Min; Wu, Zhi-Lei","Modulation of magnetic relaxation behaviors via replacing coordinated solvents in a series of linear tetranuclear Dy4 complexes","New Journal of Chemistry","2020","44","20","8494","8502","10.1039/D0NJ01830A","","","0.71073","MoKα","","0.0874","0.0442","","","0.0965","0.113","","","","","","1.009","","","","has coordinates,has disorder","257804","2020-10-21","18:00:00",""
"7059571","14.627","0.0008","15.2556","0.0009","16.3344","0.001","96.483","0.003","111.337","0.002","113.055","0.003","2982","0.3","150","2","149.99","","","","","","","","","5","P -1","-P 1","2","","","","- C134 H126 Dy4 N6 O24 -","- C134 H126 Dy4 N6 O24 -","- C134 H126 Dy4 N6 O24 -","1","0.5","","Wang, Wen-Min; Hu, Xin-Yan; Yang, Yang; Zhao, Jia-Qi; Zhang, Ya-Xin; Kang, Xiao-Min; Wu, Zhi-Lei","Modulation of magnetic relaxation behaviors via replacing coordinated solvents in a series of linear tetranuclear Dy4 complexes","New Journal of Chemistry","2020","44","20","8494","8502","10.1039/D0NJ01830A","","","0.71073","MoKα","","0.0755","0.0393","","","0.088","0.1017","","","","","","1.022","","","","has coordinates","257804","2020-10-21","18:00:00",""
"7059572","14.7864","0.001","15.1898","0.001","16.7985","0.001","97.43","0.003","112.097","0.003","112.311","0.003","3066.8","0.4","150","2","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C130 H118 Dy4 N6 O24 -","- C130 H118 Dy4 N6 O24 -","- C130 H118 Dy4 N6 O24 -","1","0.5","","Wang, Wen-Min; Hu, Xin-Yan; Yang, Yang; Zhao, Jia-Qi; Zhang, Ya-Xin; Kang, Xiao-Min; Wu, Zhi-Lei","Modulation of magnetic relaxation behaviors via replacing coordinated solvents in a series of linear tetranuclear Dy4 complexes","New Journal of Chemistry","2020","44","20","8494","8502","10.1039/D0NJ01830A","","","0.71073","MoKα","","0.109","0.0659","","","0.1529","0.1773","","","","","","1.055","","","","has coordinates,has disorder","257804","2020-10-21","18:00:00",""
"7059573","11.0012","0.001","13.1453","0.0011","12.5273","0.0012","90","","101.791","0.004","90","","1773.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cd N3 O4 -","- C17 H17 Cd N3 O4 -","- C68 H68 Cd4 N12 O16 -","4","1","","Sutradhar, Manas; Roy Barman, Tannistha; Alegria, Elisabete C. B. A.; Lapa, Hugo M.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Cd(ii) coordination compounds as heterogeneous catalysts for microwave-assisted peroxidative oxidation of toluene and 1-phenylethanol","New Journal of Chemistry","2020","44","22","9163","9171","10.1039/D0NJ01408G","","","0.71073","MoKα","","0.0359","0.0293","","","0.0728","0.0754","","","","","","1.164","","","","has coordinates","257665","2020-10-21","18:00:00",""
"7059574","12.732","0.002","12.938","0.002","13.914","0.002","90","","113.651","0.006","90","","2099.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 Cd2 N8 O10 -","- C38 H44 Cd2 N8 O10 -","- C76 H88 Cd4 N16 O20 -","2","0.5","","Sutradhar, Manas; Roy Barman, Tannistha; Alegria, Elisabete C. B. A.; Lapa, Hugo M.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Cd(ii) coordination compounds as heterogeneous catalysts for microwave-assisted peroxidative oxidation of toluene and 1-phenylethanol","New Journal of Chemistry","2020","44","22","9163","9171","10.1039/D0NJ01408G","","","0.71073","MoKα","","0.0277","0.0208","","","0.0494","0.0533","","","","","","1.12","","","","has coordinates","257665","2020-10-21","18:00:00",""
"7059575","27.018","0.003","6.1841","0.0007","26.339","0.004","90","","115.487","0.004","90","","3972.5","0.9","150","2","150","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H26 Br4 N4 -","- C44 H26 Br4 N4 -","- C176 H104 Br16 N16 -","4","0.5","","Nisa, Zaib ul; Tashi, Lobzang; Sen, Charanjeet; Ashashi, Nargis Akhter; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Synthesis of eight isostructural 2D lanthanide coordination polymers assembled by rigid furan-2,5-dicarboxylic acid and flexible adipic acid as linkers and exploration of luminescent Eu/Tb polymers as efficient and sensitive sensors for nitroaromatic compounds","New Journal of Chemistry","2020","44","19","8125","8137","10.1039/D0NJ01018A","","x-ray","0.71073","MoKα","","0.052","0.0358","","","0.07","0.0754","","","","","","1.041","","","","has coordinates","257772","2020-10-21","18:00:00",""
"7059576","10.3027","0.0002","13.2085","0.0003","13.4634","0.0003","94.2432","0.0018","94.4958","0.0016","98.376","0.0018","1800.23","0.07","100.02","0.1","100.02","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 N4 O4 Pb4 -","- C29 H21 N3 O9 Pb2 -","- C58 H42 N6 O18 Pb4 -","2","1","","Nisa, Zaib ul; Tashi, Lobzang; Sen, Charanjeet; Ashashi, Nargis Akhter; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Synthesis of eight isostructural 2D lanthanide coordination polymers assembled by rigid furan-2,5-dicarboxylic acid and flexible adipic acid as linkers and exploration of luminescent Eu/Tb polymers as efficient and sensitive sensors for nitroaromatic compounds","New Journal of Chemistry","2020","44","19","8125","8137","10.1039/D0NJ01018A","","x-ray","0.71073","MoKα","","0.0475","0.0354","","","0.0926","0.0965","","","","","","1.105","","","","has coordinates","257772","2020-10-21","18:00:00",""
"7059577","10.285","0.0003","13.307","0.0003","13.326","0.0003","102.181","0.002","97.698","0.002","94.222","0.002","1756.9","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28.5 N3.5 O9 Pb2 -","- C32 H28.5 N3.5 O9 Pb2 -","- C64 H57 N7 O18 Pb4 -","2","1","","Nisa, Zaib ul; Tashi, Lobzang; Sen, Charanjeet; Ashashi, Nargis Akhter; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Synthesis of eight isostructural 2D lanthanide coordination polymers assembled by rigid furan-2,5-dicarboxylic acid and flexible adipic acid as linkers and exploration of luminescent Eu/Tb polymers as efficient and sensitive sensors for nitroaromatic compounds","New Journal of Chemistry","2020","44","19","8125","8137","10.1039/D0NJ01018A","","x-ray","0.71073","MoKα","","0.0403","0.0334","","","0.0958","0.0987","","","","","","1.092","","","","has coordinates","257772","2020-10-21","18:00:00",""
"7059578","11.171","0.002","21.929","0.005","9.307","0.002","90","","114.257","0.014","90","","2078.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Cl N3 O3 -","- C23 H18 Cl N3 O3 -","- C92 H72 Cl4 N12 O12 -","4","1","","Nisa, Zaib ul; Tashi, Lobzang; Sen, Charanjeet; Ashashi, Nargis Akhter; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Synthesis of eight isostructural 2D lanthanide coordination polymers assembled by rigid furan-2,5-dicarboxylic acid and flexible adipic acid as linkers and exploration of luminescent Eu/Tb polymers as efficient and sensitive sensors for nitroaromatic compounds","New Journal of Chemistry","2020","44","19","8125","8137","10.1039/D0NJ01018A","","","0.71073","MoKα","","0.0908","0.0437","","","0.1246","0.1637","","","","","","0.931","","","","has coordinates","257772","2020-10-21","18:00:00",""
"7059579","8.7392","0.0002","6.8776","0.0002","16.1637","0.0003","90","","91.368","0.002","90","","971.24","0.04","159.99","0.1","159.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Coronene-Fluoranil","Coronene-Tetrafluoro-1,4-benzoquinone","","- C30 H12 F4 O2 -","- C30 H12 F4 O2 -","- C60 H24 F8 O4 -","2","0.5","","Nisa, Zaib ul; Tashi, Lobzang; Sen, Charanjeet; Ashashi, Nargis Akhter; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Synthesis of eight isostructural 2D lanthanide coordination polymers assembled by rigid furan-2,5-dicarboxylic acid and flexible adipic acid as linkers and exploration of luminescent Eu/Tb polymers as efficient and sensitive sensors for nitroaromatic compounds","New Journal of Chemistry","2020","44","19","8125","8137","10.1039/D0NJ01018A","","x-ray","1.54184","CuKα","","0.0518","0.0383","","","0.0977","0.1082","","","","","","1.053","","","","has coordinates","257772","2020-10-21","18:00:00",""
"7059580","10.3203","0.0002","13.2585","0.0003","13.503","0.0003","93.919","0.002","94.862","0.002","98.199","0.002","1816.1","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 N3 O9 Pb2 -","- C30 H20 N3 O9 Pb2 -","- C60 H40 N6 O18 Pb4 -","2","1","","Nisa, Zaib ul; Tashi, Lobzang; Sen, Charanjeet; Ashashi, Nargis Akhter; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Synthesis of eight isostructural 2D lanthanide coordination polymers assembled by rigid furan-2,5-dicarboxylic acid and flexible adipic acid as linkers and exploration of luminescent Eu/Tb polymers as efficient and sensitive sensors for nitroaromatic compounds","New Journal of Chemistry","2020","44","19","8125","8137","10.1039/D0NJ01018A","","x-ray","0.71073","MoKα","","0.0416","0.03","","","0.0711","0.0742","","","","","","1.059","","","","has coordinates","257772","2020-10-21","18:00:00",""
"7059581","17.2929","0.0004","17.2929","0.0004","20.2996","0.0004","90","","90","","120","","5257.2","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C276 H14 N2 O9 Pb3 -","- C26 H14 N2 O9 Pb3 -","- C156 H84 N12 O54 Pb18 -","6","0.5","","Nisa, Zaib ul; Tashi, Lobzang; Sen, Charanjeet; Ashashi, Nargis Akhter; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Synthesis of eight isostructural 2D lanthanide coordination polymers assembled by rigid furan-2,5-dicarboxylic acid and flexible adipic acid as linkers and exploration of luminescent Eu/Tb polymers as efficient and sensitive sensors for nitroaromatic compounds","New Journal of Chemistry","2020","44","19","8125","8137","10.1039/D0NJ01018A","","x-ray","0.71073","MoKα","","0.0216","0.0199","","","0.0669","0.0764","","","","","","1.215","","","","has coordinates","257772","2020-10-21","18:00:00",""
"7059582","34.2808","0.0008","19.8399","0.0004","18.1612","0.0004","90","","102.818","0.002","90","","12044.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 Mn3 N O19 -","- C33 H24 Mn3 N O19 -","- C264 H192 Mn24 N8 O152 -","8","1","","Nisa, Zaib ul; Tashi, Lobzang; Sen, Charanjeet; Ashashi, Nargis Akhter; Sahoo, Subash Chandra; Sheikh, Haq Nawaz","Synthesis of eight isostructural 2D lanthanide coordination polymers assembled by rigid furan-2,5-dicarboxylic acid and flexible adipic acid as linkers and exploration of luminescent Eu/Tb polymers as efficient and sensitive sensors for nitroaromatic compounds","New Journal of Chemistry","2020","44","19","8125","8137","10.1039/D0NJ01018A","","x-ray","1.54184","CuKα","","0.1111","0.0984","","","0.2865","0.3008","","","","","","1.063","","","","has coordinates","257772","2020-10-21","18:00:00",""
"7059583","8.9808","0.0014","19.684","0.003","21.185","0.003","90","","99.11","0.002","90","","3697.8","1","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","22-FG","","","- C38 H28 Bi Cl3 N6 -","- C38 H28 Bi Cl3 N6 -","- C152 H112 Bi4 Cl12 N24 -","4","1","","Akbari Afkhami, Farhad; Mahmoudi, Ghodrat; Miroslaw, Barbara; Qu, Fengrui; Gupta, Arunava; Frontera, Antonio; Zubkov, Fedor I.; Zangrando, Ennio; Safin, Damir A.","Complexes of BiCl3 with hydrazone derived ligands: a Möbius-like discrete metal chelate versus a salt-like porous polymeric structure","New Journal of Chemistry","2020","44","22","9429","9437","10.1039/D0NJ00930J","","","0.71073","MoKα","","0.0478","0.0278","","","0.0519","0.0576","","","","","","1.033","","","","has coordinates","257664","2020-10-21","18:00:00",""
"7059584","7.5632","0.0004","11.7963","0.0005","19.9471","0.0009","74.681","0.002","79.486","0.003","86.386","0.003","1687.38","0.14","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Bi Cl5 N6 O5 -","- C28 H30 Bi Cl5 N6 O5 -","- C56 H60 Bi2 Cl10 N12 O10 -","2","1","","Akbari Afkhami, Farhad; Mahmoudi, Ghodrat; Miroslaw, Barbara; Qu, Fengrui; Gupta, Arunava; Frontera, Antonio; Zubkov, Fedor I.; Zangrando, Ennio; Safin, Damir A.","Complexes of BiCl3 with hydrazone derived ligands: a Möbius-like discrete metal chelate versus a salt-like porous polymeric structure","New Journal of Chemistry","2020","44","22","9429","9437","10.1039/D0NJ00930J","","","0.71073","MoKα","","0.0486","0.0353","","","0.0653","0.0697","","","","","","1.03","","","","has coordinates,has disorder","257664","2020-10-21","18:00:00",""
"7059585","9.7946","0.0006","10.8464","0.0007","19.8519","0.0011","78.441","0.005","81.825","0.005","77.913","0.005","2009.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Ca I N3 O3 -","- C44 H50 Ca I N3 O3 -","- C88 H100 Ca2 I2 N6 O6 -","2","1","","Bano, Kulsum; Anga, Srinivas; Jain, Archana; Nayek, Hari Pada; Panda, Tarun K.","Hydroamination of isocyanates and isothiocyanates by alkaline earth metal initiators supported by a bulky iminopyrrolyl ligand","New Journal of Chemistry","2020","44","22","9419","9428","10.1039/D0NJ01509A","","","1.54184","CuKα","","0.0687","0.0543","","","0.1348","0.1446","","","","","","1.073","","","","has coordinates","257663","2020-10-21","18:00:00",""
"7059586","11.6395","0.001","12.1693","0.0009","15.5997","0.0012","70.473","0.007","88.531","0.007","78.573","0.007","2039.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Ba I N3 O3 -","- C44 H50 Ba I N3 O3 -","- C88 H100 Ba2 I2 N6 O6 -","2","1","","Bano, Kulsum; Anga, Srinivas; Jain, Archana; Nayek, Hari Pada; Panda, Tarun K.","Hydroamination of isocyanates and isothiocyanates by alkaline earth metal initiators supported by a bulky iminopyrrolyl ligand","New Journal of Chemistry","2020","44","22","9419","9428","10.1039/D0NJ01509A","","","1.54184","CuKα","","0.0436","0.0391","","","0.1006","0.1053","","","","","","1.02","","","","has coordinates","257663","2020-10-21","18:00:00",""
"7059587","12.2239","0.0008","9.7744","0.0003","12.6531","0.0006","90","","115.025","0.007","90","","1369.89","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N2 S -","- C15 H16 N2 S -","- C60 H64 N8 S4 -","4","1","","Bano, Kulsum; Anga, Srinivas; Jain, Archana; Nayek, Hari Pada; Panda, Tarun K.","Hydroamination of isocyanates and isothiocyanates by alkaline earth metal initiators supported by a bulky iminopyrrolyl ligand","New Journal of Chemistry","2020","44","22","9419","9428","10.1039/D0NJ01509A","","","0.71073","MoKα","","0.0787","0.052","","","0.1247","0.1415","","","","","","1.062","","","","has coordinates","257663","2020-10-21","18:00:00",""
"7059588","9.8088","0.0007","10.727","0.0007","20.2376","0.0014","78.773","0.006","81.432","0.006","76.264","0.006","2017.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 I N3 O3 Sr -","- C44 H50 I N3 O3 Sr -","- C88 H100 I2 N6 O6 Sr2 -","2","1","","Bano, Kulsum; Anga, Srinivas; Jain, Archana; Nayek, Hari Pada; Panda, Tarun K.","Hydroamination of isocyanates and isothiocyanates by alkaline earth metal initiators supported by a bulky iminopyrrolyl ligand","New Journal of Chemistry","2020","44","22","9419","9428","10.1039/D0NJ01509A","","","1.54184","CuKα","","0.0393","0.0378","","","0.1039","0.1057","","","","","","1.039","","","","has coordinates","257663","2020-10-21","18:00:00",""
"7059589","12.0821","0.0002","26.7914","0.0007","19.1056","0.0004","90","","125.423","0.002","90","","5039.6","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H52 Ba N6 -","- C64 H52 Ba N6 -","- C256 H208 Ba4 N24 -","4","1","","Bano, Kulsum; Anga, Srinivas; Jain, Archana; Nayek, Hari Pada; Panda, Tarun K.","Hydroamination of isocyanates and isothiocyanates by alkaline earth metal initiators supported by a bulky iminopyrrolyl ligand","New Journal of Chemistry","2020","44","22","9419","9428","10.1039/D0NJ01509A","","","1.54184","CuKα","","0.044","0.0369","","","0.0922","0.0983","","","","","","1.0571","","","","has coordinates,has disorder","257663","2020-10-21","18:00:00",""
"7059590","23.0048","0.0004","5.5362","0.0001","18.3917","0.0003","90","","106.522","0.001","90","","2245.64","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 N4 S -","- C30 H20 N4 S -","- C120 H80 N16 S4 -","4","1","","Panda, Satyajit; Jat, Ram Singh; Fayaz, Amir; Saha, Jony; Thirumoorthi, Ramalingam; Roy, Tapta Kanchan; Bhanuchandra, M.","Conjugated small organic molecules: synthesis and characterization of 4-arylpyrazole-decorated dibenzothiophenes","New Journal of Chemistry","2020","44","21","8944","8951","10.1039/D0NJ01887B","","","0.71073","MoKα","","0.0453","0.0354","","","0.0853","0.0905","","","","","","1.029","","","","has coordinates","257871","2020-10-21","18:00:00",""
"7059591","8.2558","0.0012","24.884","0.004","17.45","0.002","90","","90","","90","","3584.9","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H17 N3 S -","- C22 H17 N3 S -","- C176 H136 N24 S8 -","8","2","","Shaikh, Ahad; Mukherjee, Pallabi; Ta, Sabyasachi; Bhattacharyya, Arunasis; Ghosh, Abhijit; Das, Debasis","Oxidative cyclization of thiosemicarbazide: a chemodosimetric approach for the highly selective fluorescence detection of cerium(iv)","New Journal of Chemistry","2020","44","22","9452","9455","10.1039/D0NJ01100B","","","0.71073","MoKα","","0.0984","0.0512","","","0.1072","0.1298","","","","","","1.009","","","","has coordinates","257662","2020-10-21","18:00:00",""
"7059592","10.156","0.0004","14.384","0.0005","17.1787","0.0007","103.925","0.002","99.209","0.002","93.1","0.002","2393.13","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 S -","- C20 H14 N2 S -","- C120 H84 N12 S6 -","6","3","","Shaikh, Ahad; Mukherjee, Pallabi; Ta, Sabyasachi; Bhattacharyya, Arunasis; Ghosh, Abhijit; Das, Debasis","Oxidative cyclization of thiosemicarbazide: a chemodosimetric approach for the highly selective fluorescence detection of cerium(iv)","New Journal of Chemistry","2020","44","22","9452","9455","10.1039/D0NJ01100B","","","0.71073","MoKα","","0.1297","0.0563","","","0.1511","0.204","","","","","","0.971","","","","has coordinates","257662","2020-10-21","18:00:00",""
"7059593","9.8195","0.0003","27.7518","0.001","9.3876","0.0003","90","","115.091","0.001","90","","2316.8","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Co N2 O6 -","- C26 H22 Co N2 O6 -","- C104 H88 Co4 N8 O24 -","4","0.5","","Ahmed, Faruk; Datta, Joydeep; Khan, Samim; Dutta, Basudeb; Islam, Sakhiul; Naaz, Sanobar; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Linear dicarboxylate-based pyridyl-appended cobalt(ii) coordination polymers in search of opto-electronic properties","New Journal of Chemistry","2020","44","21","9004","9009","10.1039/D0NJ00567C","","","0.71073","MoKα","","0.0813","0.0762","","","0.1975","0.2022","","","","","","1.071","","","","has coordinates,has disorder","257873","2020-10-21","18:00:00",""
"7059594","9.3188","0.0006","33.926","0.002","9.8051","0.0006","90","","117.483","0.003","90","","2750.1","0.3","293","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Br2 Co N2 O7 -","- C26 H20 Br2 Co N2 O7 -","- C104 H80 Br8 Co4 N8 O28 -","4","0.5","","Ahmed, Faruk; Datta, Joydeep; Khan, Samim; Dutta, Basudeb; Islam, Sakhiul; Naaz, Sanobar; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Linear dicarboxylate-based pyridyl-appended cobalt(ii) coordination polymers in search of opto-electronic properties","New Journal of Chemistry","2020","44","21","9004","9009","10.1039/D0NJ00567C","","","0.71073","MoKα","","0.1081","0.0778","","","0.219","0.263","","","","","","1.077","","","","has coordinates","257873","2020-10-21","18:00:00",""
"7059595","11.5749","0.0003","8.9564","0.0002","12.5886","0.0004","90","","116.214","0.001","90","","1170.83","0.06","297","","297","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H20 N4 O3 -","- C27 H20 N4 O3 -","- C54 H40 N8 O6 -","2","1","","Gao, Yuan; Wang, Xiaonan; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","Asymmetric synthesis of spirooxindole–pyranoindole products via Friedel–Crafts alkylation/cyclization of the indole carbocyclic ring","New Journal of Chemistry","2020","44","23","9788","9792","10.1039/D0NJ00074D","","","0.71073","MoKα","","0.0766","0.043","","","0.0942","0.1147","","","","","","1.022","","","","has coordinates","298328","2025-03-07","16:31:38",""
"7059596","25.3875","0.0018","17.4829","0.0011","23.7829","0.0016","90","","104.6","0.002","90","","10215.1","1.2","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C111 H109 N6 Nd3 O24 -","- C106 H89 N6 Nd3 O19 -","- C424 H356 N24 Nd12 O76 -","4","1","","Wang, Wen-Min; Gao, Yu; Yue, Rong-Xin; Qiao, Na; Wang, Dan-Tong; Shi, Ying; Zhang, Huan; Cui, Jian-Zhong","Construction of a family of Ln3 clusters using multidentate Schiff base and β-diketonate ligands: fluorescence properties, magnetocaloric effect and slow magnetic relaxation","New Journal of Chemistry","2020","44","22","9230","9237","10.1039/D0NJ01172J","","","0.71073","MoKα","","0.0955","0.056","","","0.14","0.1682","","","","","","1.041","","","","has coordinates","257660","2020-10-21","18:00:00",""
"7059597","25.1868","0.0014","17.637","0.0009","23.6022","0.0013","90","","102.354","0.002","90","","10241.8","1","150","2","149.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C111 H109 Dy3 N6 O24 -","- C106 H89 Dy3 N6 O19 -","- C424 H356 Dy12 N24 O76 -","4","1","","Wang, Wen-Min; Gao, Yu; Yue, Rong-Xin; Qiao, Na; Wang, Dan-Tong; Shi, Ying; Zhang, Huan; Cui, Jian-Zhong","Construction of a family of Ln3 clusters using multidentate Schiff base and β-diketonate ligands: fluorescence properties, magnetocaloric effect and slow magnetic relaxation","New Journal of Chemistry","2020","44","22","9230","9237","10.1039/D0NJ01172J","","","0.71073","MoKα","","0.0927","0.0557","","","0.1328","0.1599","","","","","","1.013","","","","has coordinates","257660","2020-10-21","18:00:00",""
"7059598","25.4366","0.0018","17.6782","0.001","23.8657","0.0015","90","","104.017","0.003","90","","10412.2","1.2","150","2","149.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C109 H99 Cl2 N6 O21 Sm3 -","- C103 H77 N6 O16 Sm3 -","- C412 H308 N24 O64 Sm12 -","4","1","","Wang, Wen-Min; Gao, Yu; Yue, Rong-Xin; Qiao, Na; Wang, Dan-Tong; Shi, Ying; Zhang, Huan; Cui, Jian-Zhong","Construction of a family of Ln3 clusters using multidentate Schiff base and β-diketonate ligands: fluorescence properties, magnetocaloric effect and slow magnetic relaxation","New Journal of Chemistry","2020","44","22","9230","9237","10.1039/D0NJ01172J","","","0.71073","MoKα","","0.0899","0.0515","","","0.127","0.1545","","","","","","1.055","","","","has coordinates","257660","2020-10-21","18:00:00",""
"7059599","25.3968","0.0015","17.4468","0.0009","23.7526","0.0011","90","","104.614","0.0019","90","","10184.1","0.9","150","2","149.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C108 H92 Cl6 Ho3 N6 O18 -","- C103 H78 Ho3 N6 O16 -","- C412 H312 Ho12 N24 O64 -","4","1","","Wang, Wen-Min; Gao, Yu; Yue, Rong-Xin; Qiao, Na; Wang, Dan-Tong; Shi, Ying; Zhang, Huan; Cui, Jian-Zhong","Construction of a family of Ln3 clusters using multidentate Schiff base and β-diketonate ligands: fluorescence properties, magnetocaloric effect and slow magnetic relaxation","New Journal of Chemistry","2020","44","22","9230","9237","10.1039/D0NJ01172J","","","0.71073","MoKα","","0.0804","0.0456","","","0.1113","0.1329","","","","","","1.042","","","","has coordinates","257660","2020-10-21","18:00:00",""
"7059600","25.1172","0.0019","17.8025","0.0012","23.5489","0.0014","90","","101.714","0.002","90","","10310.6","1.2","150","2","150.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C111 H109 N6 O24 Tb3 -","- C106 H89 N6 O19 Tb3 -","- C424 H356 N24 O76 Tb12 -","4","1","","Wang, Wen-Min; Gao, Yu; Yue, Rong-Xin; Qiao, Na; Wang, Dan-Tong; Shi, Ying; Zhang, Huan; Cui, Jian-Zhong","Construction of a family of Ln3 clusters using multidentate Schiff base and β-diketonate ligands: fluorescence properties, magnetocaloric effect and slow magnetic relaxation","New Journal of Chemistry","2020","44","22","9230","9237","10.1039/D0NJ01172J","","","0.71073","MoKα","","0.0951","0.0559","","","0.1381","0.1725","","","","","","1.043","","","","has coordinates","257660","2020-10-21","18:00:00",""
"7059601","16.9051","0.0011","26.5476","0.0018","24.844","0.002","90","","94.078","0.003","90","","11121.5","1.4","150","2","150.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C110 H100 Cl6 Gd3 N6 O20 -","- C105 H86 Gd3 N6 O18 -","- C420 H344 Gd12 N24 O72 -","4","1","","Wang, Wen-Min; Gao, Yu; Yue, Rong-Xin; Qiao, Na; Wang, Dan-Tong; Shi, Ying; Zhang, Huan; Cui, Jian-Zhong","Construction of a family of Ln3 clusters using multidentate Schiff base and β-diketonate ligands: fluorescence properties, magnetocaloric effect and slow magnetic relaxation","New Journal of Chemistry","2020","44","22","9230","9237","10.1039/D0NJ01172J","","","0.71073","MoKα","","0.14","0.07","","","0.1859","0.2303","","","","","","1.013","","","","has coordinates","257660","2020-10-21","18:00:00",""
"7059602","25.5411","0.0015","17.4414","0.001","23.8773","0.0013","90","","104.429","0.0017","90","","10301.2","1","150","2","149.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C111 H109 Er3 N6 O24 -","- C107 H93 Er3 N6 O20 -","- C428 H372 Er12 N24 O80 -","4","1","","Wang, Wen-Min; Gao, Yu; Yue, Rong-Xin; Qiao, Na; Wang, Dan-Tong; Shi, Ying; Zhang, Huan; Cui, Jian-Zhong","Construction of a family of Ln3 clusters using multidentate Schiff base and β-diketonate ligands: fluorescence properties, magnetocaloric effect and slow magnetic relaxation","New Journal of Chemistry","2020","44","22","9230","9237","10.1039/D0NJ01172J","","","0.71073","MoKα","","0.0866","0.0556","","","0.136","0.1593","","","","","","1.079","","","","has coordinates","257660","2020-10-21","18:00:00",""
"7059603","6.4603","0.0008","10.1472","0.0009","10.7225","0.0012","90","","90","","90","","702.9","0.13","151.88","","151.88","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H3 N5 O5 -","- C3 H3 N5 O5 -","- C12 H12 N20 O20 -","4","1","","Yang, Rui; Dong, Zhen; Ye, Zhiwen","Exploration of low-melting energetic compounds: influence of substituents on melting points","New Journal of Chemistry","2020","44","32","13576","13583","10.1039/D0NJ01166E","","","0.71073","MoKα","","0.0467","0.0371","","","0.0827","0.0871","","","","","","1.054","","","","has coordinates","257680","2020-10-21","18:00:00",""
"7059604","5.1255","0.0005","7.7153","0.0007","9.3101","0.0009","99.722","0.005","96.581","0.005","103.924","0.005","347.55","0.06","150","2","150.18","","","","","","","","","4","P -1","-P 1","2","","","","- C3 H3 N7 O3 -","- C3 H3 N7 O3 -","- C6 H6 N14 O6 -","2","1","","Yang, Rui; Dong, Zhen; Ye, Zhiwen","Exploration of low-melting energetic compounds: influence of substituents on melting points","New Journal of Chemistry","2020","44","32","13576","13583","10.1039/D0NJ01166E","","","0.71073","MoKα","","0.0575","0.0374","","","0.0827","0.0911","","","","","","1.047","","","","has coordinates","257680","2020-10-21","18:00:00",""
"7059605","8.598","0.002","7.585","0.002","14.53","0.004","90","","95.064","0.008","90","","943.9","0.4","150","2","150.03","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 N6 O6 -","- C4 H8 N6 O6 -","- C16 H32 N24 O24 -","4","1","","Yang, Rui; Dong, Zhen; Ye, Zhiwen","Exploration of low-melting energetic compounds: influence of substituents on melting points","New Journal of Chemistry","2020","44","32","13576","13583","10.1039/D0NJ01166E","","","0.71073","MoKα","","0.1059","0.0639","","","0.1162","0.1358","","","","","","1.075","","","","has coordinates","257680","2020-10-21","18:00:00",""
"7059606","8.6101","0.0008","6.402","0.0007","10.0437","0.0009","90","","93.826","0.004","90","","552.39","0.09","150","2","150.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H4 N4 O3 -","- C3 H4 N4 O3 -","- C12 H16 N16 O12 -","4","1","","Yang, Rui; Dong, Zhen; Ye, Zhiwen","Exploration of low-melting energetic compounds: influence of substituents on melting points","New Journal of Chemistry","2020","44","32","13576","13583","10.1039/D0NJ01166E","","","0.71073","MoKα","","0.0529","0.037","","","0.0898","0.0986","","","","","","1.077","","","","has coordinates","257680","2020-10-21","18:00:00",""
"7059607","12.2768","0.0004","17.7955","0.0005","16.8416","0.0005","90","","93.154","0.001","90","","3673.84","0.19","296","2","296.15","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C38 H39 F6 Fe N2 O3 P Pd Ru -","- C38 H39 F6 Fe N2 O3 P Pd Ru -","- C152 H156 F24 Fe4 N8 O12 P4 Pd4 Ru4 -","4","1","","Celedón, Salvador; Roisnel, Thierry; Artigas, Vania; Fuentealba, Mauricio; Carrillo, David; Ledoux-Rak, Isabelle; Hamon, Jean-René; Manzur, Carolina","Palladium(ii) complexes of tetradentate donor‒acceptor Schiff base ligands: synthesis and spectral, structural, thermal and NLO properties","New Journal of Chemistry","2020","44","22","9190","9201","10.1039/D0NJ01982H","","","0.71073","MoKα","","0.0735","0.0454","","","0.1038","0.1215","","","","","","1.035","","","","has coordinates,has disorder","257666","2020-10-21","18:00:00",""
"7059608","7.2722","0.0003","12.5064","0.0005","14.6658","0.0006","101.63","0.002","90.256","0.002","102.051","0.002","1276.15","0.09","150","","150","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C29 H26 Fe N2 O6 Pd -","- C29 H26 Fe N2 O6 Pd -","- C58 H52 Fe2 N4 O12 Pd2 -","2","1","","Celedón, Salvador; Roisnel, Thierry; Artigas, Vania; Fuentealba, Mauricio; Carrillo, David; Ledoux-Rak, Isabelle; Hamon, Jean-René; Manzur, Carolina","Palladium(ii) complexes of tetradentate donor‒acceptor Schiff base ligands: synthesis and spectral, structural, thermal and NLO properties","New Journal of Chemistry","2020","44","22","9190","9201","10.1039/D0NJ01982H","","x-ray","0.71073","MoKα","","0.0552","0.0367","","","0.0935","0.1045","","","","","","0.958","","","","has coordinates","257666","2020-10-21","18:00:00",""
"7059609","12.885","0.0004","7.0118","0.0002","18.0443","0.0006","90","","103.201","0.001","90","","1587.17","0.09","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","AB124","","","- C10 H14 Br3 Cu N4 S -","- C10 H14 Br3 Cu N4 S -","- C40 H56 Br12 Cu4 N16 S4 -","4","1","","Beheshti, Azizolla; Mousavifard, Elham Sadat; Zargar, Behrooz; Mayer, Peter; Rezatofighi, Seyedeh Elham","Synthesis and dye adsorption studies of the {dibromo(1,1′-(1,2-ethanediyl)bis(3-methyl-imidazole-2-thione)dicopper(i)}n polymer and its conversion to CuO nanospheres for photocatalytic and antibacterial applications","New Journal of Chemistry","2020","44","20","8520","8537","10.1039/D0NJ01721C","","","0.71073","MoKα","","0.033","0.0229","","","0.045","0.048","","","","","","1.021","","","","has coordinates","257800","2020-10-21","18:00:00",""
"7059610","9.5738","0.0003","10.568","0.0003","7.7642","0.0003","90","","104.678","0.001","90","","759.91","0.04","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","AB124","","","- C10 H14 Br2 Cu2 N4 S2 -","- C10 H14 Br2 Cu2 N4 S2 -","- C20 H28 Br4 Cu4 N8 S4 -","2","0.5","","Beheshti, Azizolla; Mousavifard, Elham Sadat; Zargar, Behrooz; Mayer, Peter; Rezatofighi, Seyedeh Elham","Synthesis and dye adsorption studies of the {dibromo(1,1′-(1,2-ethanediyl)bis(3-methyl-imidazole-2-thione)dicopper(i)}n polymer and its conversion to CuO nanospheres for photocatalytic and antibacterial applications","New Journal of Chemistry","2020","44","20","8520","8537","10.1039/D0NJ01721C","","","0.71073","MoKα","","0.0426","0.0376","","","0.0929","0.0964","","","","","","1.045","","","","has coordinates","257800","2020-10-21","18:00:00",""
"7059611","11.828","0.005","11.828","0.005","10.242","0.009","90","","90","","90","","1432.9","1.5","296","2","296","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- Al2 B2 F2 O6 Sn -","- Al2 B2 F2 O6 Sn -","- Al16 B16 F16 O48 Sn8 -","8","0.25","","Wang, Ya; Han, Jian; Huang, Junben; Yang, Zhihua; Huang, Shuzhao; Pan, Shilie","From BaAl2(BO3)2O to SnAl2(BO3)2F2: structure transformation based on ion regulation","New Journal of Chemistry","2020","44","23","9852","9857","10.1039/D0NJ01544J","","","0.71073","MoKα","","0.0219","0.0181","","","0.0421","0.0434","","","","","","1.105","","","","has coordinates","257861","2020-10-21","18:00:00",""
"7059612","14.1261","0.0009","7.7839","0.0004","18.0397","0.0011","90","","108.359","0.003","90","","1882.62","0.19","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 F6 N6 O4 S4 Zn2 -","- C34 H24 F6 N6 O4 S4 Zn2 -","- C68 H48 F12 N12 O8 S8 Zn4 -","2","0.5","","Kaya, Büşra; Yılmaz, Zehra Kübra; Şahin, Onur; Aslim, Belma; Ülküseven, Bahri","Structural characterization of new zinc(ii) complexes with N2O2 chelating thiosemicarbazidato ligands; investigation of the relationship between their DNA interaction and in vitro antiproliferative activity towards human cancer cells","New Journal of Chemistry","2020","44","22","9313","9320","10.1039/D0NJ02149K","","","0.71073","MoKα","","0.0813","0.0667","","","0.1187","0.1241","","","","","","1.1225","","","","has coordinates,has disorder","257667","2020-10-21","18:00:00",""
"7059613","21.042","0.0009","15.9328","0.0007","10.1429","0.0005","90","","90","","90","","3400.5","0.3","128.15","","128.15","","","","","","","","","3","P c c n","-P 2ab 2ac","56","tc-tc","tcaz-tcaz","","- C40 H48 N2 -","- C40 H48 N2 -","- C160 H192 N8 -","4","0.5","","Zhou, Dandan; Zhang, Bingqian; Yu, Zhenyi; Liao, Qing; Fu, Hongbing","tert-Butyl-substituted bicarbazole as a bipolar host material for efficient green and yellow PhOLEDs","New Journal of Chemistry","2020","44","25","10472","10478","10.1039/D0NJ01210F","","x-ray","0.71073","MoKα","","0.0673","0.0516","","","0.1242","0.1343","","","","","","1.038","","","","has coordinates,has disorder","257791","2020-10-21","18:00:00",""
"7059614","15.115","0.005","12.699","0.004","28.477","0.009","90","","102.116","0.008","90","","5344","3","113","2","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C106 H87 Gd4 N13 O16 S6 -","- C106 H87 Gd4 N13 O16 S6 -","- C212 H174 Gd8 N26 O32 S12 -","2","0.5","","Wang, Wen-Min; Huai, Lei; Wang, Xi-Wen; Jiang, Kai-Jun; Shen, Hai-Yun; Gao, Hong-Ling; Fang, Ming; Cui, Jian-Zhong","Structures, magnetic refrigeration and single molecule-magnet behavior of five rhombus-shaped tetranuclear Ln(iii)-based clusters","New Journal of Chemistry","2020","44","25","10266","10274","10.1039/D0NJ01969K","","","0.71073","MoKα","","0.1232","0.0763","","","0.1667","0.1871","","","","","","1.084","","","","has coordinates,has disorder","257785","2020-10-21","18:00:00",""
"7059615","15.189","0.002","12.7422","0.0019","28.246","0.004","90","","102.961","0.002","90","","5327.5","1.3","113","2","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H90 Er4 N14 O16 S6 -","- C108 H90 Er4 N14 O16 S6 -","- C216 H180 Er8 N28 O32 S12 -","2","0.5","","Wang, Wen-Min; Huai, Lei; Wang, Xi-Wen; Jiang, Kai-Jun; Shen, Hai-Yun; Gao, Hong-Ling; Fang, Ming; Cui, Jian-Zhong","Structures, magnetic refrigeration and single molecule-magnet behavior of five rhombus-shaped tetranuclear Ln(iii)-based clusters","New Journal of Chemistry","2020","44","25","10266","10274","10.1039/D0NJ01969K","","","0.71073","MoKα","","0.0463","0.0357","","","0.0813","0.0832","","","","","","1.013","","","","has coordinates,has disorder","257785","2020-10-21","18:00:00",""
"7059616","15.194","0.003","12.779","0.002","28.304","0.005","90","","102.649","0.004","90","","5362.2","1.7","113","2","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C106 H87 Dy4 N13 O16 S6 -","- C106 H87 Dy4 N13 O16 S6 -","- C212 H174 Dy8 N26 O32 S12 -","2","0.5","","Wang, Wen-Min; Huai, Lei; Wang, Xi-Wen; Jiang, Kai-Jun; Shen, Hai-Yun; Gao, Hong-Ling; Fang, Ming; Cui, Jian-Zhong","Structures, magnetic refrigeration and single molecule-magnet behavior of five rhombus-shaped tetranuclear Ln(iii)-based clusters","New Journal of Chemistry","2020","44","25","10266","10274","10.1039/D0NJ01969K","","","0.71073","MoKα","","0.037","0.0302","","","0.0802","0.0835","","","","","","1.073","","","","has coordinates,has disorder","257785","2020-10-21","18:00:00",""
"7059617","15.1763","0.0009","12.7802","0.0007","28.3434","0.0016","90","","102.579","0.001","90","","5365.4","0.5","113","2","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C106 H87 N13 O16 S6 Tb4 -","- C106 H87 N13 O16 S6 Tb4 -","- C212 H174 N26 O32 S12 Tb8 -","2","0.5","","Wang, Wen-Min; Huai, Lei; Wang, Xi-Wen; Jiang, Kai-Jun; Shen, Hai-Yun; Gao, Hong-Ling; Fang, Ming; Cui, Jian-Zhong","Structures, magnetic refrigeration and single molecule-magnet behavior of five rhombus-shaped tetranuclear Ln(iii)-based clusters","New Journal of Chemistry","2020","44","25","10266","10274","10.1039/D0NJ01969K","","","0.71073","MoKα","","0.0385","0.0339","","","0.0982","0.101","","","","","","1.084","","","","has coordinates,has disorder","257785","2020-10-21","18:00:00",""
"7059618","14.923","0.003","15.285","0.002","16.316","0.004","75.94","0.017","85.756","0.019","67.311","0.015","3330","1.2","113","2","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C144 H100 N12 O16 S6 Tb4 -","- C144 H100 N12 O16 S6 Tb4 -","- C144 H100 N12 O16 S6 Tb4 -","1","0.5","","Wang, Wen-Min; Huai, Lei; Wang, Xi-Wen; Jiang, Kai-Jun; Shen, Hai-Yun; Gao, Hong-Ling; Fang, Ming; Cui, Jian-Zhong","Structures, magnetic refrigeration and single molecule-magnet behavior of five rhombus-shaped tetranuclear Ln(iii)-based clusters","New Journal of Chemistry","2020","44","25","10266","10274","10.1039/D0NJ01969K","","","0.71073","MoKα","","0.1015","0.0732","","","0.2151","0.2309","","","","","","1.036","","","","has coordinates,has disorder","257785","2020-10-21","18:00:00",""
"7059619","10.9192","0.0012","19.809","0.002","11.7104","0.0012","90","","93.931","0.003","90","","2527","0.5","100","2","100.01","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Cl F6 Ir N2 O2 P -","- C23 H25 Cl F6 Ir N2 O2 P -","- C92 H100 Cl4 F24 Ir4 N8 O8 P4 -","4","1","","Oklu, Novisi K.; Makhubela, Banothile C. E.","Chemoselective and efficient catalytic hydrogenation of furfural by iridium and ruthenium half-sandwich complexes","New Journal of Chemistry","2020","44","22","9382","9390","10.1039/D0NJ01811B","","x-ray","0.71073","MoKα","","0.0427","0.0334","","","0.084","0.0984","","","","","","1.202","","","","has coordinates","257659","2020-10-21","18:00:00",""
"7059620","9.7675","0.0001","16.109","0.0002","10.9117","0.0001","90","","101.905","0.0004","90","","1679.97","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Mn2 N4 O10 -","- C36 H40 Mn2 N4 O10 -","- C72 H80 Mn4 N8 O20 -","2","0.5","","Rosales-Vázquez, Luis D.; Martínez-Otero, Diego; Sánchez-Mendieta, Víctor; Jaramillo-García, Jonathan; Téllez-López, Antonio; Escudero, Roberto; Morales, Francisco; Valdes-García, Josue; Dorazco-González, Alejandro","Dinuclear complexes of Mn, Co, Zn and Cd assembled with 1,4-cyclohexanedicarboxylate: synthesis, crystal structures and acetonitrile fluorescence sensing properties","New Journal of Chemistry","2020","44","25","10317","10325","10.1039/D0NJ01410A","","","0.71073","MoKα","","0.0291","0.0262","","","0.0645","0.0664","","","","","","1.054","","","","has coordinates","257794","2020-10-21","18:00:00",""
"7059621","9.355","0.0004","9.95","0.0004","10.8783","0.0005","88.0818","0.0007","70.4169","0.0007","72.3874","0.0007","906.68","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 Cd2 N4 O12 -","- C36 H44 Cd2 N4 O12 -","- C36 H44 Cd2 N4 O12 -","1","0.5","","Rosales-Vázquez, Luis D.; Martínez-Otero, Diego; Sánchez-Mendieta, Víctor; Jaramillo-García, Jonathan; Téllez-López, Antonio; Escudero, Roberto; Morales, Francisco; Valdes-García, Josue; Dorazco-González, Alejandro","Dinuclear complexes of Mn, Co, Zn and Cd assembled with 1,4-cyclohexanedicarboxylate: synthesis, crystal structures and acetonitrile fluorescence sensing properties","New Journal of Chemistry","2020","44","25","10317","10325","10.1039/D0NJ01410A","","","0.71073","MoKα","","0.0189","0.0183","","","0.0445","0.0449","","","","","","1.074","","","","has coordinates,has disorder","257794","2020-10-21","18:00:00",""
"7059622","10.2587","0.0005","16.0646","0.0007","11.2653","0.0005","90","","95.3428","0.001","90","","1848.48","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N4 O12 Zn2 -","- C36 H44 N4 O12 Zn2 -","- C72 H88 N8 O24 Zn4 -","2","0.5","","Rosales-Vázquez, Luis D.; Martínez-Otero, Diego; Sánchez-Mendieta, Víctor; Jaramillo-García, Jonathan; Téllez-López, Antonio; Escudero, Roberto; Morales, Francisco; Valdes-García, Josue; Dorazco-González, Alejandro","Dinuclear complexes of Mn, Co, Zn and Cd assembled with 1,4-cyclohexanedicarboxylate: synthesis, crystal structures and acetonitrile fluorescence sensing properties","New Journal of Chemistry","2020","44","25","10317","10325","10.1039/D0NJ01410A","","","0.71073","MoKα","","0.0278","0.0247","","","0.0609","0.0622","","","","","","1.053","","","","has coordinates","257794","2020-10-21","18:00:00",""
"7059623","10.2385","0.0004","16.0725","0.0006","11.3029","0.0004","90","","95.7321","0.0006","90","","1850.69","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Co2 N4 O12 -","- C36 H44 Co2 N4 O12 -","- C72 H88 Co4 N8 O24 -","2","0.5","","Rosales-Vázquez, Luis D.; Martínez-Otero, Diego; Sánchez-Mendieta, Víctor; Jaramillo-García, Jonathan; Téllez-López, Antonio; Escudero, Roberto; Morales, Francisco; Valdes-García, Josue; Dorazco-González, Alejandro","Dinuclear complexes of Mn, Co, Zn and Cd assembled with 1,4-cyclohexanedicarboxylate: synthesis, crystal structures and acetonitrile fluorescence sensing properties","New Journal of Chemistry","2020","44","25","10317","10325","10.1039/D0NJ01410A","","","0.71073","MoKα","","0.0264","0.0246","","","0.0608","0.0618","","","","","","1.063","","","","has coordinates","257794","2020-10-21","18:00:00",""
"7059624","18.552","0.004","20.072","0.004","6.0258","0.0012","90","","90","","90","","2243.9","0.8","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H28 N4 S2 -","- C22 H28 N4 S2 -","- C88 H112 N16 S8 -","4","1","","Moghaddam, Firouz Matloubi; Goudarzi, Mehri; Chamani, Fatemeh; Dezag, Hamid Mohammadzadeh","A new Mumm-type rearrangement with dithiocarbamates via isocyanide-based multicomponent reaction under ultrasound irradiation: synthesis of polysubstituted pyrrolidine compounds","New Journal of Chemistry","2020","44","23","9699","9702","10.1039/D0NJ00691B","","x-ray","0.71073","MoKα","","0.1033","0.0776","","","0.1865","0.1966","","","","","","1.108","","","","has coordinates","257860","2020-10-21","18:00:00",""
"7059626","17.3782","0.0008","17.3782","0.0008","5.8377","0.0003","90","","90","","120","","1526.8","0.13","296","2","296","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- F63 K18 Ta5.18 Zr4.82 -","- F63 K18 Ta5.18 Zr4.82 -","- F63 K18 Ta5.18 Zr4.82 -","1","0.0833333","","Boča, Miroslav; Molokeev, Maxim; Rakhmatullin, Aydar; Kubíková, Blanka; Netriová, Zuzana","The structure of the metastable K18Ta5Zr5F63 phase","New Journal of Chemistry","2020","44","22","9264","9270","10.1039/D0NJ02428G","","","0.71073","MoKα","","0.0873","0.0855","","","0.2241","0.2251","","","","","","1.223","","","","has coordinates","257669","2020-10-21","18:00:00",""
"7059627","10.6126","0.0003","30.5317","0.001","11.0273","0.0003","90","","111.038","0.001","90","","3334.9","0.17","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H31 N5 O2 Zn -","- C43 H31 N5 O2 Zn -","- C172 H124 N20 O8 Zn4 -","4","1","","Prasanth, Panneerselvam Arun; Nantheeswaran, Periyappan; Anbazhagan, Veerappan; Senthilnathan, Rajendran; Jothi, Arunachalam; Bhuvanesh, Nattamai S. P.; Sannegowda, Lokesh Koodlur; Mariappan, Mariappan","The metal centre in salen-acridine dyad N2O2 ligand‒metal complexes modulates DNA binding and photocleavage efficiency","New Journal of Chemistry","2020","44","23","9888","9895","10.1039/D0NJ02035D","","","1.54178","CuKα","","0.0396","0.0324","","","0.0706","0.074","","","","","","1.061","","","","has coordinates","257855","2020-10-21","18:00:00",""
"7059628","14.4303","0.0007","14.3375","0.0007","14.5024","0.0007","98.091","0.004","99.318","0.004","98.508","0.004","2886.3","0.3","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H46 Cl2 Mn2 N10 O31 Y2 -","- C36 H36 Cl2 Mn2 N10 O30 Y2 -","- C72 H72 Cl4 Mn4 N20 O60 Y4 -","2","1","","Yin, Jia-Jia; Chen, Cheng; Zhuang, Gui-Lin; Zheng, Jun; Zheng, Xiu-Ying; Shao, Feng","Syntheses, structures and magnetic properties of novel tetrameric Ln2Mn2 and ring-like Ln4Mn4 clusters","New Journal of Chemistry","2020","44","23","9837","9843","10.1039/D0NJ01517B","","","1.54186","CuKα","","0.16","0.0918","","","0.2373","0.2889","","","","","","1.025","","","","has coordinates","257859","2020-10-21","18:00:00",""
"7059629","14.4122","0.0006","14.3812","0.0006","14.5701","0.0007","98.204","0.004","99.148","0.004","98.362","0.003","2906.9","0.2","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H50 Cl2 Gd2 Mn2 N10 O33 -","- C36 H35 Cl2 Gd2 Mn2 N10 O33 -","- C72 H70 Cl4 Gd4 Mn4 N20 O66 -","2","1","","Yin, Jia-Jia; Chen, Cheng; Zhuang, Gui-Lin; Zheng, Jun; Zheng, Xiu-Ying; Shao, Feng","Syntheses, structures and magnetic properties of novel tetrameric Ln2Mn2 and ring-like Ln4Mn4 clusters","New Journal of Chemistry","2020","44","23","9837","9843","10.1039/D0NJ01517B","","","1.54186","CuKα","","0.2086","0.1121","","","0.2685","0.3459","","","","","","1.023","","","","has coordinates","257859","2020-10-21","18:00:00",""
"7059630","14.44","","14.334","","14.527","","98.08","","99.39","","98.21","","2894.52","","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H52 Cl2 Dy2 Mn2 N10 O34 -","- C36 H36 Cl2 Dy2 Mn2 N10 O32 -","- C72 H72 Cl4 Dy4 Mn4 N20 O64 -","2","1","","Yin, Jia-Jia; Chen, Cheng; Zhuang, Gui-Lin; Zheng, Jun; Zheng, Xiu-Ying; Shao, Feng","Syntheses, structures and magnetic properties of novel tetrameric Ln2Mn2 and ring-like Ln4Mn4 clusters","New Journal of Chemistry","2020","44","23","9837","9843","10.1039/D0NJ01517B","","","1.54186","CuKα","","0.1348","0.0977","","","0.2498","0.286","","","","","","1.045","","","","has coordinates","257859","2020-10-21","18:00:00",""
"7059631","16.9322","0.0005","18.8267","0.0006","19.8169","0.0006","79.398","0.003","69.241","0.002","76.963","0.003","5717.2","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H123 Mn4 N9 O56 Y4 -","- C74 H60 Mn4 N6 O46 Y4 -","- C148 H120 Mn8 N12 O92 Y8 -","2","1","","Yin, Jia-Jia; Chen, Cheng; Zhuang, Gui-Lin; Zheng, Jun; Zheng, Xiu-Ying; Shao, Feng","Syntheses, structures and magnetic properties of novel tetrameric Ln2Mn2 and ring-like Ln4Mn4 clusters","New Journal of Chemistry","2020","44","23","9837","9843","10.1039/D0NJ01517B","","","1.54186","CuKα","","0.1722","0.0976","","","0.2582","0.3109","","","","","","1.035","","","","has coordinates","257859","2020-10-21","18:00:00",""
"7059632","16.9478","0.0007","18.9017","0.0008","19.83","0.0008","79.081","0.003","69.234","0.003","76.84","0.003","5742.4","0.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H123 Dy4 Mn4 N9 O56 -","- C74 H60 Dy4 Mn4 N5 O43 -","- C148 H120 Dy8 Mn8 N10 O86 -","2","1","","Yin, Jia-Jia; Chen, Cheng; Zhuang, Gui-Lin; Zheng, Jun; Zheng, Xiu-Ying; Shao, Feng","Syntheses, structures and magnetic properties of novel tetrameric Ln2Mn2 and ring-like Ln4Mn4 clusters","New Journal of Chemistry","2020","44","23","9837","9843","10.1039/D0NJ01517B","","","1.54186","CuKα","","0.1515","0.0932","","","0.2462","0.2903","","","","","","1.026","","","","has coordinates,has disorder","257859","2020-10-21","18:00:00",""
"7059633","16.9426","0.0014","18.9636","0.0017","19.8755","0.0017","78.846","0.007","69.215","0.006","77.089","0.007","5773.5","0.9","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H123 Gd4 Mn4 N9 O56 -","- C74 H60 Gd4 Mn4 N5 O43 -","- C148 H120 Gd8 Mn8 N10 O86 -","2","1","","Yin, Jia-Jia; Chen, Cheng; Zhuang, Gui-Lin; Zheng, Jun; Zheng, Xiu-Ying; Shao, Feng","Syntheses, structures and magnetic properties of novel tetrameric Ln2Mn2 and ring-like Ln4Mn4 clusters","New Journal of Chemistry","2020","44","23","9837","9843","10.1039/D0NJ01517B","","","1.54186","CuKα","","0.1555","0.1118","","","0.2924","0.3391","","","","","","1.203","","","","has coordinates,has disorder","257859","2020-10-21","18:00:00",""
"7059634","8.9583","0.0005","18.515","0.0009","9.0555","0.0005","90","","91.47","0.002","90","","1501.48","0.14","210","2","210","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H40 O13 -","- C30 H40 O13 -","- C60 H80 O26 -","2","1","","Dong, Shu-Hui; Bai, Ming; Hou, Zi-Lin; Zhou, Wei-Yu; Yao, Guo-Dong; Lin, Bin; Huang, Xiao-Xiao; Song, Shao-Jiang","Dihydroagarofuran sesquiterpenoid derivatives from the leaves of Tripterygium wilfordii with potential neuroprotective effects against H2O2-induced SH-SY5Y cell injuries","New Journal of Chemistry","2020","44","25","10258","10265","10.1039/D0NJ00703J","","","1.34139","GaKα","","0.0598","0.0471","","","0.1178","0.1293","","","","","","1.026","","","","has coordinates","257787","2020-10-21","18:00:00",""
"7059635","19.4926","0.0007","9.8565","0.0004","25.4939","0.0011","90","","102.68","0.004","90","","4778.7","0.3","150","0.1","150","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C23 H34 I N3 Si -","- C23 H34 I N3 Si -","- C184 H272 I8 N24 Si8 -","8","1","","Dimitrijevs, Pavels; Domracheva, Ilona; Arsenyan, Pavel","Improved method for the preparation of nonyl acridine orange analogues and utilization in detection of cardiolipin","New Journal of Chemistry","2020","44","23","9626","9633","10.1039/D0NJ02116D","","x-ray","0.71073","MoKα","","0.0563","0.0345","","","0.0886","0.105","","","","","","1.116","","","","has coordinates","257856","2020-10-21","18:00:00",""
"7059636","10.0025","0.0006","18.7416","0.0011","17.4507","0.001","90","","96.041","0.002","90","","3253.2","0.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H25 N2 O P S -","- C12 H25 N2 O P S -","- C96 H200 N16 O8 P8 S8 -","8","1","","Flores-Romero, Víctor; García-Guzmán, Oscar L.; Aguirre-Bautista, Alejandra; Rojas-Montoya, Iván D.; García-Montalvo, Verónica; Rivera, Margarita; Jiménez-Sandoval, Omar; Muñoz-Hernández, Miguel-Ángel; Hernández-Ortega, Simón","Zinc(ii) and cadmium(ii) complexes, [M(iPr2P(X)NC(Y)NC5H10-κ2-X,Y)2] (X and Y = O, S), as single source precursors for metal sulfide thin films","New Journal of Chemistry","2020","44","25","10367","10379","10.1039/D0NJ01465F","","","0.71073","MoKα","","0.0559","0.0467","","","0.1273","0.1345","","","","","","1.056","","","","has coordinates","257795","2020-10-21","18:00:00",""
"7059637","9.972","0.0002","13.3201","0.0002","13.5216","0.0002","86.057","0.001","68.82","","82.722","0.001","1660.72","0.05","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H48 Cd N4 P2 S4 -","- C24 H48 Cd N4 P2 S4 -","- C48 H96 Cd2 N8 P4 S8 -","2","1","","Flores-Romero, Víctor; García-Guzmán, Oscar L.; Aguirre-Bautista, Alejandra; Rojas-Montoya, Iván D.; García-Montalvo, Verónica; Rivera, Margarita; Jiménez-Sandoval, Omar; Muñoz-Hernández, Miguel-Ángel; Hernández-Ortega, Simón","Zinc(ii) and cadmium(ii) complexes, [M(iPr2P(X)NC(Y)NC5H10-κ2-X,Y)2] (X and Y = O, S), as single source precursors for metal sulfide thin films","New Journal of Chemistry","2020","44","25","10367","10379","10.1039/D0NJ01465F","","","0.71073","MoKα","","0.0352","0.0288","","","0.0757","0.08","","","","","","1.052","","","","has coordinates,has disorder","257795","2020-10-21","18:00:00",""
"7059638","11.9623","0.0002","11.1902","0.0002","23.594","0.0003","90","","91.54","0.001","90","","3157.16","0.09","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 N4 O2 P2 S2 Zn -","- C24 H48 N4 O2 P2 S2 Zn -","- C96 H192 N16 O8 P8 S8 Zn4 -","4","1","","Flores-Romero, Víctor; García-Guzmán, Oscar L.; Aguirre-Bautista, Alejandra; Rojas-Montoya, Iván D.; García-Montalvo, Verónica; Rivera, Margarita; Jiménez-Sandoval, Omar; Muñoz-Hernández, Miguel-Ángel; Hernández-Ortega, Simón","Zinc(ii) and cadmium(ii) complexes, [M(iPr2P(X)NC(Y)NC5H10-κ2-X,Y)2] (X and Y = O, S), as single source precursors for metal sulfide thin films","New Journal of Chemistry","2020","44","25","10367","10379","10.1039/D0NJ01465F","","","0.71073","MoKα","","0.0389","0.0296","","","0.0751","0.0786","","","","","","1.037","","","","has coordinates","257795","2020-10-21","18:00:00",""
"7059639","11.9249","0.0002","11.0983","0.0002","24.26","0.0005","90","","90.396","0.001","90","","3210.64","0.1","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 Cd N4 O2 P2 S2 -","- C24 H48 Cd N4 O2 P2 S2 -","- C96 H192 Cd4 N16 O8 P8 S8 -","4","1","","Flores-Romero, Víctor; García-Guzmán, Oscar L.; Aguirre-Bautista, Alejandra; Rojas-Montoya, Iván D.; García-Montalvo, Verónica; Rivera, Margarita; Jiménez-Sandoval, Omar; Muñoz-Hernández, Miguel-Ángel; Hernández-Ortega, Simón","Zinc(ii) and cadmium(ii) complexes, [M(iPr2P(X)NC(Y)NC5H10-κ2-X,Y)2] (X and Y = O, S), as single source precursors for metal sulfide thin films","New Journal of Chemistry","2020","44","25","10367","10379","10.1039/D0NJ01465F","","","0.71073","MoKα","","0.0482","0.0299","","","0.0597","0.067","","","","","","0.949","","","","has coordinates","257795","2020-10-21","18:00:00",""
"7059640","20.5473","0.0009","7.4108","0.0003","16.1324","0.0008","90","","117.615","0.002","90","","2176.67","0.17","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H15 Br5 Cu2 N3 P -","- C15 H15 Br5 Cu2 N3 P -","- C60 H60 Br20 Cu8 N12 P4 -","4","1","","Berezin, Alexey S.; Artem'ev, Alexander V.; Komarov, Vladislav Y.; Baranov, Andrey Y.","A copper(i) bromide organic‒inorganic zwitterionic coordination compound with a new type of core: structure, luminescence properties, and DFT calculations","New Journal of Chemistry","2020","44","23","9858","9862","10.1039/D0NJ01835J","","","0.71073","MoKα","","0.046","0.0356","","","0.0665","0.0698","","","","","","1.025","","","","has coordinates,has disorder","257858","2020-10-21","18:00:00",""
"7059641","5.3317","0.0001","10.0576","0.0003","30.0104","0.0008","90","","90","","90","","1609.28","0.07","100","","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 F N2 O4 -","- C14 H23 F N2 O4 -","- C56 H92 F4 N8 O16 -","4","1","","Liu, Song; Wu, Renbo; Sun, Yuli; Ploessl, Karl; Zhang, Yan; Liu, Yajing; Wu, Zehui; Zhu, Lin; Kung, Hank F.","Design, synthesis and evaluation of a novel glutamine derivative (2S,4R)-2-amino-4-cyano-4-[18F]fluorobutanoic acid","New Journal of Chemistry","2020","44","21","9109","9117","10.1039/D0NJ00410C","","","0.71073","MoKα","","0.028","0.0252","","","0.0595","0.0607","","","","","","1.093","","","","has coordinates","257863","2020-10-21","18:00:00",""
"7059642","5.9695","0.0002","10.9627","0.0003","36.0572","0.0011","90","","90","","90","","2359.65","0.12","100","","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O7 S -","- C21 H30 N2 O7 S -","- C84 H120 N8 O28 S4 -","4","1","","Liu, Song; Wu, Renbo; Sun, Yuli; Ploessl, Karl; Zhang, Yan; Liu, Yajing; Wu, Zehui; Zhu, Lin; Kung, Hank F.","Design, synthesis and evaluation of a novel glutamine derivative (2S,4R)-2-amino-4-cyano-4-[18F]fluorobutanoic acid","New Journal of Chemistry","2020","44","21","9109","9117","10.1039/D0NJ00410C","","","0.71073","MoKα","","0.0445","0.0391","","","0.0868","0.089","","","","","","1.185","","","","has coordinates","257863","2020-10-21","18:00:00",""
"7059643","9.895","0.007","10.696","0.008","26.93","0.02","88.13","0.06","85.08","0.06","76.48","0.05","2761","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H156 N2 O28 Pd Si16 -","- C78 H156 N2 O28 Pd Si16 -","- C78 H156 N2 O28 Pd Si16 -","1","0.5","","Piec, Kamila; Kostera, Sylwia; Jędrzkiewicz, Dawid; Ejfler, Jolanta; John, Łukasz","Mono-substituted amine-oligosilsesquioxanes as functional tools in Pd(ii) coordination chemistry: synthesis and properties","New Journal of Chemistry","2020","44","26","10786","10795","10.1039/D0NJ01568G","","","0.71073","MoKα","","0.1599","0.0854","","","0.2103","0.2419","","","","","","0.948","","","","has coordinates,has disorder","257724","2020-10-21","18:00:00",""
"7059644","9.91","0.003","10.779","0.004","26.361","0.009","89.83","0.04","81.99","0.03","88.94","0.04","2787.9","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H156 N2 O32 Pd Si16 -","- C80 H156 N2 O32 Pd Si16 -","- C80 H156 N2 O32 Pd Si16 -","1","0.5","","Piec, Kamila; Kostera, Sylwia; Jędrzkiewicz, Dawid; Ejfler, Jolanta; John, Łukasz","Mono-substituted amine-oligosilsesquioxanes as functional tools in Pd(ii) coordination chemistry: synthesis and properties","New Journal of Chemistry","2020","44","26","10786","10795","10.1039/D0NJ01568G","","","0.71073","MoKα","","0.1026","0.0585","","","0.1313","0.1517","","","","","","1.018","","","","has coordinates,has disorder","257724","2020-10-21","18:00:00",""
"7059645","25.014","0.003","7.9647","0.0008","25.811","0.003","90","","97.742","0.005","90","","5095.4","1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","porphycene","","","- C32 H38 N4 -","- C32 H38 N4 -","- C256 H304 N32 -","8","1","","Pati, Narendra N.; Sahoo, Sameeta; Sahoo, Sipra S.; Banerjee, Dipanjan; Rao, S. Venugopal; Panda, Pradeepta K.","Chromatographically separable ruffled non-planar isomeric octaalkylporphycenes: consequences of unsymmetrical substitution upon structure and photophysical properties","New Journal of Chemistry","2020","44","23","9616","9620","10.1039/D0NJ01744B","","","0.71073","MoKα","","0.0725","0.0502","","","0.1479","0.1633","","","","","","1.093","","","","has coordinates","257857","2020-10-21","18:00:00",""
"7059646","10.7208","0.0005","11.176","0.0005","11.7946","0.0006","109.612","0.002","98.619","0.002","98.654","0.002","1285.22","0.11","298","2","298","2","","","","","","","","3","P -1","-P 1","2","porphycene","","","- C32 H38 N4 -","- C32 H38 N4 -","- C64 H76 N8 -","2","1","","Pati, Narendra N.; Sahoo, Sameeta; Sahoo, Sipra S.; Banerjee, Dipanjan; Rao, S. Venugopal; Panda, Pradeepta K.","Chromatographically separable ruffled non-planar isomeric octaalkylporphycenes: consequences of unsymmetrical substitution upon structure and photophysical properties","New Journal of Chemistry","2020","44","23","9616","9620","10.1039/D0NJ01744B","","","0.71073","MoKα","","0.1126","0.061","","","0.1593","0.1867","","","","","","1.004","","","","has coordinates","257857","2020-10-21","18:00:00",""
"7059647","20.5448","0.0002","20.51697","0.00019","23.3482","0.0002","90","","90","","90","","9841.66","0.16","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H56 Dy F3 N6 O31 -","- C33 H56 Dy F3 N6 O31 -","- C264 H448 Dy8 F24 N48 O248 -","8","1","","Shi, Zhi-Qiang; Ji, Ning-Ning; Chen, Wan-Yao; Li, Gang","Proton conduction in two hydrogen-bonded supramolecular lanthanide complexes","New Journal of Chemistry","2020","44","25","10562","10568","10.1039/D0NJ02085K","","x-ray","1.54184","CuKα","","0.0539","0.0443","","","0.1174","0.1253","","","","","","1.056","","","","has coordinates,has disorder","257797","2020-10-21","18:00:00",""
"7059648","11.4389","0.0005","12.4406","0.0004","16.1101","0.0007","96.834","0.003","108.861","0.004","96.387","0.003","2126.54","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H42 Eu F3 N6 O24 -","- C33 H42 Eu F3 N6 O24 -","- C66 H84 Eu2 F6 N12 O48 -","2","1","","Shi, Zhi-Qiang; Ji, Ning-Ning; Chen, Wan-Yao; Li, Gang","Proton conduction in two hydrogen-bonded supramolecular lanthanide complexes","New Journal of Chemistry","2020","44","25","10562","10568","10.1039/D0NJ02085K","","x-ray","1.54184","CuKα","","0.056","0.0483","","","0.1218","0.1287","","","","","","1.024","","","","has coordinates,has disorder","257797","2020-10-21","18:00:00",""
"7059649","9.187","0.003","34.222","0.01","4.7335","0.0014","90","","107.932","0.008","90","","1415.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N4 O2 S -","- C14 H12 N4 O2 S -","- C56 H48 N16 O8 S4 -","4","1","","Fernandes, Tiago A.; André, Vânia; Arol, Aliaksandr S.; França, Ângela; Mikhalyonok, Sergei; Cerca, Nuno; Kirillov, Alexander M.","New silver (thio)semicarbazide derivatives: synthesis, structural features, and antimicrobial activity","New Journal of Chemistry","2020","44","26","10924","10932","10.1039/D0NJ02013C","","","0.71069","MoKα","","0.133","0.0572","","","0.1255","0.1592","","","","","","1.012","","","","has coordinates,has disorder","257717","2020-10-21","18:00:00",""
"7059650","8.968","0.003","9.327","0.004","11.613","0.004","95.389","0.016","95.673","0.016","104.311","0.016","929.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Ag N5 O7 -","- C14 H14 Ag N5 O7 -","- C28 H28 Ag2 N10 O14 -","2","1","","Fernandes, Tiago A.; André, Vânia; Arol, Aliaksandr S.; França, Ângela; Mikhalyonok, Sergei; Cerca, Nuno; Kirillov, Alexander M.","New silver (thio)semicarbazide derivatives: synthesis, structural features, and antimicrobial activity","New Journal of Chemistry","2020","44","26","10924","10932","10.1039/D0NJ02013C","","","0.71069","MoKα","","0.0461","0.0397","","","0.1012","0.1058","","","","","","1.059","","","","has coordinates","257717","2020-10-21","18:00:00",""
"7059651","15.574","0.0015","10.7264","0.0011","8.1105","0.0008","90","","96.563","0.005","90","","1346","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N4 O3 -","- C14 H12 N4 O3 -","- C56 H48 N16 O12 -","4","1","","Fernandes, Tiago A.; André, Vânia; Arol, Aliaksandr S.; França, Ângela; Mikhalyonok, Sergei; Cerca, Nuno; Kirillov, Alexander M.","New silver (thio)semicarbazide derivatives: synthesis, structural features, and antimicrobial activity","New Journal of Chemistry","2020","44","26","10924","10932","10.1039/D0NJ02013C","","","0.71069","MoKα","","0.0624","0.0406","","","0.1006","0.1133","","","","","","1.038","","","","has coordinates","257717","2020-10-21","18:00:00",""
"7059652","12.0157","0.0013","18.1093","0.0019","18.99","0.002","90","","90","","90","","4132.1","0.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C42 H31 N11 O10 Zn2 -","- C42 H31 N11 O10 Zn2 -","- C168 H124 N44 O40 Zn8 -","4","0.5","","Wang, Jun; Chen, Ning-Ning; Pan, Chen-Dong; Zhang, Chen; Fan, Liming","Selective fluorescence sensing properties of a novel two-fold interpenetrating coordination polymer","New Journal of Chemistry","2020","44","22","9411","9418","10.1039/D0NJ01750G","","","0.71073","MoKα","","0.0718","0.047","","","0.1281","0.1394","","","","","","0.996","","","","has coordinates","257668","2020-10-21","18:00:00",""
"7059653","7.7339","0.0012","12.2579","0.0019","12.2548","0.0019","90","","94.074","0.004","90","","1158.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","","Bhattacharyya, Arghyadeep; Guchhait, Nikhil","Exciplex formation between a pair of synthesized AIEgens leads to white light generation: a spectroscopic exploration","New Journal of Chemistry","2020","44","25","10671","10680","10.1039/D0NJ02489A","","","0.71073","MoKα","","0.0727","0.0656","","","0.1526","0.1545","","","","","","2.946","","","","has coordinates","257788","2020-10-21","18:00:00",""
"7059654","33.6385","0.0006","20.9981","0.0003","23.2161","0.0005","90","","106.835","0.002","90","","15695.8","0.5","118","2","118","2","","","","","","","no","6","P 1 21/c 1","-P 2ybc","14","no","radical anion salt of flavanthrone with cryptand sodium cation, o-dichlorobenzene solvate","","- C58 H56 Cl4 N4 Na O8 -","- C58 H56 Cl4 N4 Na O8 -","- C696 H672 Cl48 N48 Na12 O96 -","12","3","","Konarev, Dmitri V.; Andronov, Mikhail G.; Batov, Mikhail S.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Flavanthrone ‒ a new ligand with accessible radical anion and dianion states: preparation of zwitterionic {(Cp2V)2(flavanthrone)} and {(Cp2V)2(chloranil)} complexes","New Journal of Chemistry","2020","44","26","10849","10858","10.1039/D0NJ01208D","","x-ray","0.71073","MoKα","","0.1567","0.0885","","","0.1982","0.2372","","","","","","1.025","","","","has coordinates,has disorder","257725","2020-10-21","18:00:00",""
"7059655","10.4142","0.0006","15.4474","0.0015","18.1276","0.0016","89.892","0.007","84.445","0.006","72.298","0.007","2763.9","0.4","109","2","109","2","","","","","","","","6","P -1","-P 1","2","no","dianion salt of flavanthrone with tetrabutylphosphonium cations, o-dichlobenzene solvate","","- C63 H86 Cl N2 O2 P2 -","- C63 H86 Cl N2 O2 P2 -","- C126 H172 Cl2 N4 O4 P4 -","2","1","","Konarev, Dmitri V.; Andronov, Mikhail G.; Batov, Mikhail S.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Flavanthrone ‒ a new ligand with accessible radical anion and dianion states: preparation of zwitterionic {(Cp2V)2(flavanthrone)} and {(Cp2V)2(chloranil)} complexes","New Journal of Chemistry","2020","44","26","10849","10858","10.1039/D0NJ01208D","","x-ray","0.71073","MoKα","","0.139","0.0738","","","0.1621","0.2036","","","","","","1.033","","","","has coordinates,has disorder","257725","2020-10-21","18:00:00",""
"7059656","15.7671","0.0004","17.4553","0.0003","8.4909","0.0002","90","","93.019","0.002","90","","2333.62","0.09","110","1","110","1","","","","","","","no","6","P 1 21/c 1","-P 2ybc","14","no","ccordination compound of flavanthrone with two vanadocene, o-dichlobenzene solvate","","- C60 H40 Cl4 N2 O2 V2 -","- C60 H40 Cl4 N2 O2 V2 -","- C120 H80 Cl8 N4 O4 V4 -","2","0.5","","Konarev, Dmitri V.; Andronov, Mikhail G.; Batov, Mikhail S.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Flavanthrone ‒ a new ligand with accessible radical anion and dianion states: preparation of zwitterionic {(Cp2V)2(flavanthrone)} and {(Cp2V)2(chloranil)} complexes","New Journal of Chemistry","2020","44","26","10849","10858","10.1039/D0NJ01208D","","x-ray","0.71073","MoKα","","0.0552","0.0398","","","0.0915","0.0989","","","","","","1.03","","","","has coordinates,has disorder","257725","2020-10-21","18:00:00",""
"7059657","9.1827","0.0004","7.7844","0.0003","18.3826","0.0008","90","","90.001","0.004","90","","1314.02","0.1","90","1","90","1","","","","","","","no","5","P 1 21/c 1","-P 2ybc","14","no","coordination compound of chloranyl with two vanadocene","","- C26 H20 Cl4 O2 V2 -","- C26 H20 Cl4 O2 V2 -","- C52 H40 Cl8 O4 V4 -","2","0.5","","Konarev, Dmitri V.; Andronov, Mikhail G.; Batov, Mikhail S.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Flavanthrone ‒ a new ligand with accessible radical anion and dianion states: preparation of zwitterionic {(Cp2V)2(flavanthrone)} and {(Cp2V)2(chloranil)} complexes","New Journal of Chemistry","2020","44","26","10849","10858","10.1039/D0NJ01208D","","x-ray","0.71073","MoKα","","0.0322","0.0287","","","0.0685","0.0705","","","","","","1.089","","","","has coordinates,has disorder","257725","2020-10-21","18:00:00",""
"7059658","10.0315","0.0005","11.165","0.0005","12.4225","0.0006","80.1","0.004","73.741","0.005","87.212","0.004","1315.81","0.11","113","2","113","8","","","","","","","no","5","P -1","-P 1","2","no","dianion salt of flavanthrone with tetrabutylphosphonium cations","","- C60 H84 N2 O2 P2 -","- C60 H84 N2 O2 P2 -","- C60 H84 N2 O2 P2 -","1","0.5","","Konarev, Dmitri V.; Andronov, Mikhail G.; Batov, Mikhail S.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Flavanthrone ‒ a new ligand with accessible radical anion and dianion states: preparation of zwitterionic {(Cp2V)2(flavanthrone)} and {(Cp2V)2(chloranil)} complexes","New Journal of Chemistry","2020","44","26","10849","10858","10.1039/D0NJ01208D","","x-ray","0.71073","MoKα","","0.1089","0.0705","","","0.155","0.1795","","","","","","1.036","","","","has coordinates,has disorder","257725","2020-10-21","18:00:00",""
"7059659","21.6165","0.0007","11.825","0.0003","14.9206","0.0005","90","","117.864","0.001","90","","3371.74","0.18","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 Br Mn N3 O3.5 -","- C15 H14 Br Mn N3 O3.5 -","- C120 H112 Br8 Mn8 N24 O28 -","8","1","","Amorim, André L.; Guerreiro, Ana; Glitz, Vinícius A.; Coimbra, Daniel F.; Bortoluzzi, Adailton J.; Caramori, Giovanni F.; Braga, Antonio L.; Neves, Ademir; Bernardes, Gonçalo J. L.; Peralta, Rosely A.","Synthesis, characterization and photoinduced CO-release by manganese(i) complexes","New Journal of Chemistry","2020","44","26","10892","10901","10.1039/D0NJ02260H","","","0.71073","MoKα","","0.051","0.0299","","","0.061","0.069","","","","","","1.021","","","","has coordinates","257715","2020-10-21","18:00:00",""
"7059660","26.1164","0.0008","7.3867","0.0002","18.301","0.0006","90","","102.927","0.001","90","","3441.04","0.18","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 Br Mn N3 O3 -","- C16 H15 Br Mn N3 O3 -","- C128 H120 Br8 Mn8 N24 O24 -","8","1","","Amorim, André L.; Guerreiro, Ana; Glitz, Vinícius A.; Coimbra, Daniel F.; Bortoluzzi, Adailton J.; Caramori, Giovanni F.; Braga, Antonio L.; Neves, Ademir; Bernardes, Gonçalo J. L.; Peralta, Rosely A.","Synthesis, characterization and photoinduced CO-release by manganese(i) complexes","New Journal of Chemistry","2020","44","26","10892","10901","10.1039/D0NJ02260H","","","0.71073","MoKα","","0.06","0.0387","","","0.088","0.0961","","","","","","1.06","","","","has coordinates","257715","2020-10-21","18:00:00",""
"7059661","8.0271","0.0004","9.3057","0.0005","12.9921","0.0007","87.029","0.002","89.037","0.002","67.346","0.002","894.4","0.08","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H17 Br Mn N3 O3 -","- C17 H17 Br Mn N3 O3 -","- C34 H34 Br2 Mn2 N6 O6 -","2","1","","Amorim, André L.; Guerreiro, Ana; Glitz, Vinícius A.; Coimbra, Daniel F.; Bortoluzzi, Adailton J.; Caramori, Giovanni F.; Braga, Antonio L.; Neves, Ademir; Bernardes, Gonçalo J. L.; Peralta, Rosely A.","Synthesis, characterization and photoinduced CO-release by manganese(i) complexes","New Journal of Chemistry","2020","44","26","10892","10901","10.1039/D0NJ02260H","","","0.71073","MoKα","","0.0335","0.0235","","","0.053","0.0564","","","","","","1.042","","","","has coordinates","257715","2020-10-21","18:00:00",""
"7059662","19.9421","0.0006","23.2514","0.0008","24.8961","0.0008","98.678","0.003","110.845","0.003","111.285","0.003","9518.3","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Co25 H128 Na4 O292 Si6 W60 -","- Co25 Na4 O292 Si6 W60 -","- Co25 Na4 O292 Si6 W60 -","1","0.5","","Shi, Dongying; Cui, Chao-Jie; Sun, Chun-Xiao; Du, Jun-Ping; Liu, Chun-Sen","A new [Co21(H2O)4(OH)12]30+ unit-incorporating polyoxotungstate for sensitive detection of dichlorvos","New Journal of Chemistry","2020","44","26","11336","11341","10.1039/D0NJ01539C","","","1.54178","CuKα","","0.1491","0.091","","","0.2525","0.3022","","","","","","1.019","","","","has coordinates","257721","2020-10-21","18:00:00",""
"7059663","9.1494","0.0003","14.5713","0.0005","16.5995","0.0006","90","","98.7354","0.0015","90","","2187.35","0.13","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N4 O2 S2 V -","- C25 H18 N4 O2 S2 V -","- C100 H72 N16 O8 S8 V4 -","4","1","","Banerjee, Atanu; Mohanty, Monalisa; Lima, Sudhir; Samanta, Rajib; Garribba, Eugenio; Sasamori, Takahiro; Dinda, Rupam","Synthesis, structure and characterization of new dithiocarbazate-based mixed ligand oxidovanadium(iv) complexes: DNA/HSA interaction, cytotoxic activity and DFT studies","New Journal of Chemistry","2020","44","26","10946","10963","10.1039/D0NJ01246G","","","0.71075","MoKα","","0.1381","0.1104","","","0.1974","0.2096","","","","","","1.372","","","","has coordinates","257722","2020-10-21","18:00:00",""
"7059664","12.079","0.0002","9.1906","0.0001","20.2738","0.0003","90","","104.359","0.001","90","","2180.35","0.05","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N4 O2 S2 V -","- C23 H18 N4 O2 S2 V -","- C92 H72 N16 O8 S8 V4 -","4","1","","Banerjee, Atanu; Mohanty, Monalisa; Lima, Sudhir; Samanta, Rajib; Garribba, Eugenio; Sasamori, Takahiro; Dinda, Rupam","Synthesis, structure and characterization of new dithiocarbazate-based mixed ligand oxidovanadium(iv) complexes: DNA/HSA interaction, cytotoxic activity and DFT studies","New Journal of Chemistry","2020","44","26","10946","10963","10.1039/D0NJ01246G","","","0.71075","MoKα","","0.0946","0.0856","","","0.1997","0.2076","","","","","","1.085","","","","has coordinates","257722","2020-10-21","18:00:00",""
"7059665","9.2915","0.0002","12.472","0.0002","14.3887","0.0003","66.4449","0.0008","80.6708","0.0012","71.292","0.0011","1446.62","0.05","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H28 Cl N5 O2 S2 V -","- C31 H28 Cl N5 O2 S2 V -","- C62 H56 Cl2 N10 O4 S4 V2 -","2","1","","Banerjee, Atanu; Mohanty, Monalisa; Lima, Sudhir; Samanta, Rajib; Garribba, Eugenio; Sasamori, Takahiro; Dinda, Rupam","Synthesis, structure and characterization of new dithiocarbazate-based mixed ligand oxidovanadium(iv) complexes: DNA/HSA interaction, cytotoxic activity and DFT studies","New Journal of Chemistry","2020","44","26","10946","10963","10.1039/D0NJ01246G","","","0.71075","MoKα","","0.0622","0.0502","","","0.1038","0.1129","","","","","","1.197","","","","has coordinates","257722","2020-10-21","18:00:00",""
"7059666","17.6881","0.0006","7.5408","0.0002","17.2621","0.0006","90","","106.021","0.004","90","","2213.03","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N2 O6 P -","- C24 H21 N2 O6 P -","- C96 H84 N8 O24 P4 -","4","0.5","","Ling, Irene; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Khor, Zong Chin; Raston, Colin L.","Effect of anions on the solid-state interplay of symmetric and unsymmetric phosphonium cations","New Journal of Chemistry","2020","44","25","10220","10228","10.1039/D0NJ01975E","","","0.71073","MoKα","","0.0744","0.0429","","","0.0872","0.0946","","","","","","1.002","","","","has coordinates,has disorder","257792","2020-10-21","18:00:00",""
"7059667","22.2823","0.0003","7.3469","0.0001","16.0521","0.0002","90","","97.053","0.001","90","","2607.94","0.06","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 F6 N O4 P S2 -","- C26 H20 F6 N O4 P S2 -","- C104 H80 F24 N4 O16 P4 S8 -","4","0.5","","Ling, Irene; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Khor, Zong Chin; Raston, Colin L.","Effect of anions on the solid-state interplay of symmetric and unsymmetric phosphonium cations","New Journal of Chemistry","2020","44","25","10220","10228","10.1039/D0NJ01975E","","","1.54178","CuKα","","0.0321","0.0297","","","0.0722","0.0746","","","","","","1.002","","","","has coordinates,has disorder","257792","2020-10-21","18:00:00",""
"7059668","17.4408","0.0002","6.7914","0.0001","18.9369","0.0002","90","","90","","90","","2243.03","0.05","150","2","150","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C28 H20 N3 P -","- C28 H20 N3 P -","- C112 H80 N12 P4 -","4","0.5","","Ling, Irene; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Khor, Zong Chin; Raston, Colin L.","Effect of anions on the solid-state interplay of symmetric and unsymmetric phosphonium cations","New Journal of Chemistry","2020","44","25","10220","10228","10.1039/D0NJ01975E","","","1.54178","CuKα","","0.04","0.0373","","","0.1011","0.1046","","","","","","1.001","","","","has coordinates","257792","2020-10-21","18:00:00",""
"7059669","11.2149","0.0004","16.9072","0.0005","11.7093","0.0005","90","","96.094","0.003","90","","2207.68","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N3 P -","- C27 H22 N3 P -","- C108 H88 N12 P4 -","4","1","","Ling, Irene; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Khor, Zong Chin; Raston, Colin L.","Effect of anions on the solid-state interplay of symmetric and unsymmetric phosphonium cations","New Journal of Chemistry","2020","44","25","10220","10228","10.1039/D0NJ01975E","","","1.54178","CuKα","","0.0538","0.0421","","","0.0987","0.1091","","","","","","1.001","","","","has coordinates","257792","2020-10-21","18:00:00",""
"7059670","19.7732","0.0006","8.4372","0.0002","16.5014","0.0014","90","","90","","90","","2752.9","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C27 H22 F6 N O4 P S2 -","- C27 H22 F6 N O4 P S2 -","- C108 H88 F24 N4 O16 P4 S8 -","4","1","","Ling, Irene; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Khor, Zong Chin; Raston, Colin L.","Effect of anions on the solid-state interplay of symmetric and unsymmetric phosphonium cations","New Journal of Chemistry","2020","44","25","10220","10228","10.1039/D0NJ01975E","","","0.71073","MoKα","","0.0466","0.0328","","","0.0593","0.0612","","","","","","0.92","","","","has coordinates","257792","2020-10-21","18:00:00",""
"7059671","9.895","0.0004","12.8564","0.0005","18.7165","0.0009","70.204","0.004","84.593","0.004","76.784","0.004","2180.59","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N P S -","- C26 H22 N P S -","- C104 H88 N4 P4 S4 -","4","2","","Ling, Irene; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Khor, Zong Chin; Raston, Colin L.","Effect of anions on the solid-state interplay of symmetric and unsymmetric phosphonium cations","New Journal of Chemistry","2020","44","25","10220","10228","10.1039/D0NJ01975E","","","0.71073","MoKα","","0.1054","0.0625","","","0.1234","0.1434","","","","","","1.002","","","","has coordinates","257792","2020-10-21","18:00:00",""
"7059672","9.5047","0.0002","21.5886","0.0005","11.1289","0.0003","90","","107.748","0.003","90","","2174.89","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 B F4 P -","- C25 H22 B F4 P -","- C100 H88 B4 F16 P4 -","4","1","","Ling, Irene; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Khor, Zong Chin; Raston, Colin L.","Effect of anions on the solid-state interplay of symmetric and unsymmetric phosphonium cations","New Journal of Chemistry","2020","44","25","10220","10228","10.1039/D0NJ01975E","","","0.71073","MoKα","","0.0856","0.0786","","","0.166","0.1698","","","","","","1.003","","","","has coordinates","257792","2020-10-21","18:00:00",""
"7059673","10.4963","0.0008","13.4855","0.0011","18.0538","0.0014","107.3","0.002","93.585","0.002","103.021","0.002","2354","0.3","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H44 Cl N3 O P2 Ru -","- C59 H44 Cl N3 O P2 Ru -","- C118 H88 Cl2 N6 O2 P4 Ru2 -","2","1","","Dinda, Soumitra; Sultana, Tamanna; Sultana, Suhana; Patra, Sarat Chandra; Mitra, Arup Kumar; Roy, Subhadip; Pramanik, Kausikisankar; Ganguly, Sanjib","Ruthenocycles of benzothiazolyl and pyridyl hydrazones with ancillary PAHs: synthesis, structure, electrochemistry and antimicrobial activity","New Journal of Chemistry","2020","44","26","11022","11034","10.1039/D0NJ01447H","","","0.71073","MoKα","","0.0374","0.0298","","","0.0735","0.0829","","","","","","1.1048","","","","has coordinates,has disorder","257720","2020-10-21","18:00:00",""
"7059674","12.7697","0.0015","14.3912","0.0017","14.5106","0.0018","103.662","0.005","113.28","0.004","103.41","0.005","2216.6","0.5","300","2","300","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H42 Cl N3 O P2 Ru -","- C53 H42 Cl N3 O P2 Ru -","- C106 H84 Cl2 N6 O2 P4 Ru2 -","2","1","","Dinda, Soumitra; Sultana, Tamanna; Sultana, Suhana; Patra, Sarat Chandra; Mitra, Arup Kumar; Roy, Subhadip; Pramanik, Kausikisankar; Ganguly, Sanjib","Ruthenocycles of benzothiazolyl and pyridyl hydrazones with ancillary PAHs: synthesis, structure, electrochemistry and antimicrobial activity","New Journal of Chemistry","2020","44","26","11022","11034","10.1039/D0NJ01447H","","","0.71073","MoKα","","0.0702","0.0472","","","0.1373","0.1688","","","","","","1.0371","","","","has coordinates","257720","2020-10-21","18:00:00",""
"7059675","20.496","0.001","10.4384","0.0005","22.9609","0.0011","90","","114.403","0.002","90","","4473.5","0.4","298","2","298.43","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H42 Cl N3 O P2 Ru -","- C53 H42 Cl N3 O P2 Ru -","- C212 H168 Cl4 N12 O4 P8 Ru4 -","4","1","","Dinda, Soumitra; Sultana, Tamanna; Sultana, Suhana; Patra, Sarat Chandra; Mitra, Arup Kumar; Roy, Subhadip; Pramanik, Kausikisankar; Ganguly, Sanjib","Ruthenocycles of benzothiazolyl and pyridyl hydrazones with ancillary PAHs: synthesis, structure, electrochemistry and antimicrobial activity","New Journal of Chemistry","2020","44","26","11022","11034","10.1039/D0NJ01447H","","","0.71073","MoKα","","0.1175","0.0661","","","0.1504","0.1838","","","","","","1.0905","","","","has coordinates","257720","2020-10-21","18:00:00",""
"7059676","12.5638","0.0007","14.5528","0.0008","30.3087","0.0016","78.061","0.002","78.123","0.002","67.43","0.002","4957.2","0.5","298","2","298.14","","","","","","","","","8","P -1","-P 1","2","","","","- C56 H44 Cl3 N3 O P2 Ru S -","- C55 H42 Cl N3 O P2 Ru S -","- C220 H168 Cl4 N12 O4 P8 Ru4 S4 -","4","2","","Dinda, Soumitra; Sultana, Tamanna; Sultana, Suhana; Patra, Sarat Chandra; Mitra, Arup Kumar; Roy, Subhadip; Pramanik, Kausikisankar; Ganguly, Sanjib","Ruthenocycles of benzothiazolyl and pyridyl hydrazones with ancillary PAHs: synthesis, structure, electrochemistry and antimicrobial activity","New Journal of Chemistry","2020","44","26","11022","11034","10.1039/D0NJ01447H","","","0.71073","MoKα","","0.0756","0.0461","","","0.0963","0.1098","","","","","","1.0477","","","","has coordinates,has disorder","257720","2020-10-21","18:00:00",""
"7059677","13.793","0.005","8.597","0.003","16.14","0.005","90","","104.275","0.005","90","","1854.8","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Cl N4 S -","- C20 H19 Cl N4 S -","- C80 H76 Cl4 N16 S4 -","4","1","","Yuan, Jing-Mei; Chen, Nan-Ying; Liao, Hao-Ran; Zhang, Guo-Hai; Li, Xiao-Juan; Gu, Zi-Yu; Pan, Cheng-Xue; Mo, Dong-Liang; Su, Gui-Fa","3-(Benzo[d]thiazol-2-yl)-4-aminoquinoline derivatives as novel scaffold topoisomerase I inhibitor via DNA intercalation: design, synthesis, and antitumor activities","New Journal of Chemistry","2020","44","26","11203","11214","10.1039/C9NJ05846J","","","0.71073","MoKα","","0.1253","0.0909","","","0.2577","0.2914","","","","","","1.043","","","","has coordinates","257723","2020-10-21","18:00:00",""
"7059678","13.6402","0.001","31.703","0.002","12.2361","0.0009","90","","114.901","0.002","90","","4799.4","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H88 Cu10 N16 O71 Si2 W18 -","- C24 H80 Cu10 N16 O71 Si2 W18 -","- C48 H160 Cu20 N32 O142 Si4 W36 -","2","0.5","","Su, Zhao-Min; Zhang, Mo; An, Qingqing; Qin, Dan; Li, Hai-Lou; Lv, Hongjin; Jia, Zhiyu; Zhang, Qiang; Yang, Guo-Yu","Synthesis of two new copper-sandwiched polyoxotungstates and the influence of nuclear number on catalytic hydrogen evolution activity","New Journal of Chemistry","2020","44","26","11035","11041","10.1039/D0NJ02065F","","","0.71073","MoKα","","0.0583","0.0465","","","0.0944","0.0989","","","","","","1.081","","","","has coordinates","257719","2020-10-21","18:00:00",""
"7059679","12.448","0.0005","14.3192","0.0005","17.1822","0.0007","98.959","0.003","110.639","0.004","104.727","0.003","2668.2","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H112 Cu10 N20 O74 Si2 W18 -","- C30 H100 Cu10 N20 O74 Si2 W18 -","- C30 H100 Cu10 N20 O74 Si2 W18 -","1","0.5","","Su, Zhao-Min; Zhang, Mo; An, Qingqing; Qin, Dan; Li, Hai-Lou; Lv, Hongjin; Jia, Zhiyu; Zhang, Qiang; Yang, Guo-Yu","Synthesis of two new copper-sandwiched polyoxotungstates and the influence of nuclear number on catalytic hydrogen evolution activity","New Journal of Chemistry","2020","44","26","11035","11041","10.1039/D0NJ02065F","","","0.71073","MoKα","","0.0594","0.0425","","","0.0942","0.1052","","","","","","1.067","","","","has coordinates","257719","2020-10-21","18:00:00",""
"7059680","5.1389","0.0017","7.65","0.002","8.618","0.003","90","","105.413","0.005","90","","326.61","0.18","299","1","299","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Ni O6 -","- C4 H6 Ni O6 -","- C8 H12 Ni2 O12 -","2","0.5","","Nakane, Tomohiro; Aoyagi, Shinobu; Fujita, Wataru","Magnetic and thermal studies of a coordination polymer: bis(glycolato)nickel(ii)","New Journal of Chemistry","2020","44","25","10519","10524","10.1039/D0NJ01450H","","","0.71075","MoKα","","0.0229","0.0209","","","0.0586","0.0594","","","","","","1.148","","","","has coordinates","257796","2020-10-21","18:00:00",""
"7059681","5.1225","0.001","7.518","0.0013","8.6621","0.0014","90","","105.242","0.007","90","","321.85","0.1","92","","92","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Ni O6 -","- C4 H6 Ni O6 -","- C8 H12 Ni2 O12 -","2","0.5","","Nakane, Tomohiro; Aoyagi, Shinobu; Fujita, Wataru","Magnetic and thermal studies of a coordination polymer: bis(glycolato)nickel(ii)","New Journal of Chemistry","2020","44","25","10519","10524","10.1039/D0NJ01450H","","","0.71075","MoKα","","0.0233","0.0205","","","0.0506","0.0514","","","","","","1.134","","","","has coordinates","257796","2020-10-21","18:00:00",""
"7059682","13.4382","0.0013","14.3212","0.0013","19.229","0.0018","71.551","0.002","89.699","0.002","75.284","0.002","3383.9","0.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H21 B10 N3 -","- C10 H21 B10 N3 -","- C80 H168 B80 N24 -","8","4","","Shmalko, Akim V.; Anufriev, Sergei A.; Stogniy, Marina Yu.; Suponitsky, Kyrill Yu.; Sivaev, Igor B.","Synthesis and structure of 3-arylazo derivatives of ortho-carborane","New Journal of Chemistry","2020","44","25","10199","10202","10.1039/D0NJ02052D","","","0.71073","MoKα","","0.1224","0.0627","","","0.1422","0.1721","","","","","","1.008","","","","has coordinates","257789","2020-10-21","18:00:00",""
"7059683","12.3986","0.0017","19.258","0.003","6.6169","0.0009","90","","99.327","0.003","90","","1559","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 B10 N2 O -","- C9 H18 B10 N2 O -","- C36 H72 B40 N8 O4 -","4","1","","Shmalko, Akim V.; Anufriev, Sergei A.; Stogniy, Marina Yu.; Suponitsky, Kyrill Yu.; Sivaev, Igor B.","Synthesis and structure of 3-arylazo derivatives of ortho-carborane","New Journal of Chemistry","2020","44","25","10199","10202","10.1039/D0NJ02052D","","","0.71073","MoKα","","0.0968","0.0522","","","0.119","0.1373","","","","","","0.989","","","","has coordinates","257789","2020-10-21","18:00:00",""
"7059684","19.235","0.003","7.0992","0.0011","21.796","0.003","90","","90","","90","","2976.3","0.8","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C9 H18 B10 N2 -","- C9 H18 B10 N2 -","- C72 H144 B80 N16 -","8","1","","Shmalko, Akim V.; Anufriev, Sergei A.; Stogniy, Marina Yu.; Suponitsky, Kyrill Yu.; Sivaev, Igor B.","Synthesis and structure of 3-arylazo derivatives of ortho-carborane","New Journal of Chemistry","2020","44","25","10199","10202","10.1039/D0NJ02052D","","","0.71073","MoKα","","0.1359","0.058","","","0.1202","0.1561","","","","","","1.003","","","","has coordinates","257789","2020-10-21","18:00:00",""
"7059685","8.633","0.004","12.422","0.006","13.653","0.006","87.328","0.008","89.11","0.007","79.874","0.008","1439.7","1.2","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H16 F12 N7 O3 P2 -","- C23 H16 F12 N7 O3 P2 -","- C46 H32 F24 N14 O6 P4 -","2","1","","Madhu, Vedichi; Kanakati, Arun Kumar; Das, Samar K.","Serendipitous isolation of a triazinone-based air stable organic radical: synthesis, crystal structure, and computation","New Journal of Chemistry","2020","44","26","10781","10785","10.1039/D0NJ02028A","","","0.71073","MoKα","","0.1513","0.0809","","","0.1874","0.2247","","","","","","0.989","","","","has coordinates","257713","2020-10-21","18:00:00",""
"7059686","5.036","0.002","19.412","0.009","23.741","0.01","90","","87.874","0.01","90","","2319.3","1.7","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 F6 N7 O P -","- C23 H16 F6 N7 O P -","- C92 H64 F24 N28 O4 P4 -","4","1","","Madhu, Vedichi; Kanakati, Arun Kumar; Das, Samar K.","Serendipitous isolation of a triazinone-based air stable organic radical: synthesis, crystal structure, and computation","New Journal of Chemistry","2020","44","26","10781","10785","10.1039/D0NJ02028A","","","0.71073","MoKα","","0.162","0.0683","","","0.1395","0.1747","","","","","","0.972","","","","has coordinates","257713","2020-10-21","18:00:00",""
"7059687","9.2096","0.0008","14.5251","0.0012","10.446","0.0009","90","","91.739","0.007","90","","1396.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","salt 1","","- C5 H8 Fe I3 N O3 -","- C5 H8 Fe I3 N O3 -","- C20 H32 Fe4 I12 N4 O12 -","4","1","","Yang, Xiuqin; Jin, Jing; Guo, Zhuming; Xiao, Zhiyin; Chen, Naiwen; Jiang, Xiujuan; He, Yi; Liu, Xiaoming","The monoiron anion fac-[Fe(CO)3I3]− and its organic aminium salts: their preparation, CO-release, and cytotoxicity","New Journal of Chemistry","2020","44","25","10300","10308","10.1039/D0NJ01182G","","x-ray","0.71073","MoKα","","0.1131","0.0631","","","0.1412","0.1687","","","","","","1.03","","","","has coordinates","257793","2020-10-21","18:00:00",""
"7059688","8.2405","0.0009","8.0958","0.0009","12.6129","0.0012","90","","106.571","0.001","90","","806.5","0.15","293","2","293","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","salt 3","","- C7 H12 Fe I3 N O3 -","- C7 H12 Fe I3 N O3 -","- C14 H24 Fe2 I6 N2 O6 -","2","0.5","","Yang, Xiuqin; Jin, Jing; Guo, Zhuming; Xiao, Zhiyin; Chen, Naiwen; Jiang, Xiujuan; He, Yi; Liu, Xiaoming","The monoiron anion fac-[Fe(CO)3I3]− and its organic aminium salts: their preparation, CO-release, and cytotoxicity","New Journal of Chemistry","2020","44","25","10300","10308","10.1039/D0NJ01182G","","x-ray","0.71073","MoKα","","0.089","0.0572","","","0.1447","0.1711","","","","","","1.04","","","","has coordinates,has disorder","257793","2020-10-21","18:00:00",""
"7059689","8.092","0.002","8.2197","0.0008","13.3496","0.0016","100.214","0.009","94.639","0.016","92.457","0.016","869.5","0.3","298","","298","","","","","","","","","6","P -1","-P 1","2","","salt 4","","- C8 H14 Fe I3 N O3 -","- C8 H14 Fe I3 N O3 -","- C16 H28 Fe2 I6 N2 O6 -","2","1","","Yang, Xiuqin; Jin, Jing; Guo, Zhuming; Xiao, Zhiyin; Chen, Naiwen; Jiang, Xiujuan; He, Yi; Liu, Xiaoming","The monoiron anion fac-[Fe(CO)3I3]− and its organic aminium salts: their preparation, CO-release, and cytotoxicity","New Journal of Chemistry","2020","44","25","10300","10308","10.1039/D0NJ01182G","","x-ray","0.71073","MoKα","","0.1625","0.117","","","0.292","0.3462","","","","","","1.046","","","","has coordinates","257793","2020-10-21","18:00:00",""
"7059690","12.0358","0.001","7.9704","0.0003","16.4638","0.001","90","","108.505","0.008","90","","1497.71","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","salt 2","","- C6 H10 Fe I3 N O3 -","- C6 H10 Fe I3 N O3 -","- C24 H40 Fe4 I12 N4 O12 -","4","1","","Yang, Xiuqin; Jin, Jing; Guo, Zhuming; Xiao, Zhiyin; Chen, Naiwen; Jiang, Xiujuan; He, Yi; Liu, Xiaoming","The monoiron anion fac-[Fe(CO)3I3]− and its organic aminium salts: their preparation, CO-release, and cytotoxicity","New Journal of Chemistry","2020","44","25","10300","10308","10.1039/D0NJ01182G","","x-ray","0.71073","MoKα","","0.1065","0.0596","","","0.0984","0.1177","","","","","","1.032","","","","has coordinates","257793","2020-10-21","18:00:00",""
"7059691","14.3147","0.0012","13.7035","0.0011","12.3387","0.0011","90","","110.169","0.003","90","","2272","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Br Cl N2 O4 -","- C22 H22 Br Cl N2 O4 -","- C88 H88 Br4 Cl4 N8 O16 -","4","1","","Wu, Hai-tao; Wang, Lan-zhi","Expedient green-chemistry approaches for a one-pot synthesis of two series of novel 1,5-benzodiazepines via domino reactions","New Journal of Chemistry","2020","44","25","10428","10440","10.1039/C9NJ06332C","","","0.71073","MoKα","","0.1016","0.0465","","","0.0995","0.1187","","","","","","1.003","","","","has coordinates,has disorder","257790","2020-10-21","18:00:00",""
"7059692","9.0275","0.0014","26.058","0.002","9.7852","0.0009","90","","102.119","0.011","90","","2250.6","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 N O4 -","- C28 H23 N O4 -","- C112 H92 N4 O16 -","4","1","","Karaman, Merve; Demir, Nuriye; Bilgili, Hakan; Yakali, Gul; Gokpek, Yenal; Demic, Serafettin; Kaya, Nusret; Can, Mustafa","Synthesis, characterization, aggregation-induced enhanced emission and solvatochromic behavior of dimethyl 4′-(diphenylamino)biphenyl-3,5-dicarboxylate: experimental and theoretical studies","New Journal of Chemistry","2020","44","27","11498","11506","10.1039/D0NJ01720E","","x-ray","0.71073","MoKα","","0.1286","0.0581","","","0.1036","0.136","","","","","","1.0124","","","","has coordinates","257672","2020-10-21","18:00:00",""
"7059693","14.659","0.004","7.247","0.002","18.776","0.006","90","","106.108","0.005","90","","1916.3","1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C19 H23 Cu N3 O S -","- C19 H23 Cu N3 O S -","- C76 H92 Cu4 N12 O4 S4 -","4","1","","Khan, Samim; Halder, Soumi; Dey, Arka; Dutta, Basudeb; Pratim Ray, Partha; Chattopadhyay, Shouvik","Synthesis of an electrically conductive square planar copper(ii) complex and its utilization in the fabrication of a photosensitive Schottky diode device and DFT study","New Journal of Chemistry","2020","44","27","11622","11630","10.1039/D0NJ02162H","","","0.71073","MoKα","","0.0547","0.0407","","","0.1045","0.1119","","","","","","1.079","","","","has coordinates,has disorder","257677","2020-10-21","18:00:00",""
"7059694","12.1075","0.0009","15.3568","0.0012","10.8188","0.0007","90","","104.326","0.003","90","","1949","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","MKII-249 F3","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C96 H76 N12 O8 -","4","1","","Meerakrishna, Ramakrishnan Suseela; Smile, Suresh Snoxma; Athira, Mohanakumaran; Choutipalli, Venkata Surya Kumar; Shanmugam, Ponnusamy","Diverse reactivity of isatin-based N,N′-cyclic azomethine imine dipoles with arynes: synthesis of 1′-methyl-2′-oxospiro [indene-1,3′-indolines] and 3-aryl-3-pyrazol-2-oxindoles","New Journal of Chemistry","2020","44","27","11593","11601","10.1039/D0NJ01684E","","","0.71073","MoKα","","0.1136","0.0437","","","0.089","0.1218","","","","","","1.041","","","","has coordinates","257670","2020-10-21","18:00:00",""
"7059695","8.76","0.0003","23.4233","0.0008","10.4245","0.0003","90","","109.446","0.0015","90","","2016.96","0.12","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","MKII-293 P1","","- C25 H21 N3 O2 -","- C25 H21 N3 O2 -","- C100 H84 N12 O8 -","4","1","","Meerakrishna, Ramakrishnan Suseela; Smile, Suresh Snoxma; Athira, Mohanakumaran; Choutipalli, Venkata Surya Kumar; Shanmugam, Ponnusamy","Diverse reactivity of isatin-based N,N′-cyclic azomethine imine dipoles with arynes: synthesis of 1′-methyl-2′-oxospiro [indene-1,3′-indolines] and 3-aryl-3-pyrazol-2-oxindoles","New Journal of Chemistry","2020","44","27","11593","11601","10.1039/D0NJ01684E","","","0.71073","MoKα","","0.0564","0.0422","","","0.0907","0.0992","","","","","","1.057","","","","has coordinates","257670","2020-10-21","18:00:00",""
"7059696","12.983","0.003","12.994","0.003","33.62","0.007","90","","91.884","0.004","90","","5669","2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H52 N6 Ni2 O6 -","- C60 H52 N6 Ni2 O6 -","- C240 H208 N24 Ni8 O24 -","4","2","","Mkrtchyan, Anna F.; Hayriyan, Liana A.; Karapetyan, Ani J.; Tovmasyan, Anna S.; Tsaturyan, Avetis H.; Khrustalev, Victor N.; Maleev, Viktor I.; Saghyan, Ashot S.","Using the Ni-[(benzylprolyl)amino]benzophenone complex in the Glaser reaction for the synthesis of bis α-amino acids","New Journal of Chemistry","2020","44","28","11927","11932","10.1039/D0NJ02072A","","","0.71073","MoKα","","0.1028","0.0766","","","0.1852","0.1998","","","","","","1.064","","","","has coordinates,has disorder","257646","2020-10-21","18:00:00",""
"7059697","4.8356","0.0008","19.976","0.004","12.518","0.003","90","","95.013","0.005","90","","1204.6","0.4","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O2 S -","- C12 H12 N2 O2 S -","- C48 H48 N8 O8 S4 -","4","1","","Rodrigues, Daniel A.; Pinheiro, Pedro de Sena M.; S. Sagrillo, Fernanda; R. Freitas, Maria Clara; A. Alves, Marina; Thota, Sreekanth; Tinoco, Luzineide W.; Magalhães, Alvicler; Sant’Anna, Carlos M. R.; Fraga, Carlos A. M.","Structure‒property relationship studies of 3-acyl-substituted furans: the serendipitous identification and characterization of a new non-classical hydrogen bond donor moiety","New Journal of Chemistry","2020","44","26","10994","11005","10.1039/D0NJ01598A","","","0.71073","MoKα","","0.1608","0.0649","","","0.0955","0.1226","","","","","","1.068","","","","has coordinates,has disorder","257718","2020-10-21","18:00:00",""
"7059698","11.337","0.001","4.954","0.0004","19.4646","0.0016","90","","104.141","0.005","90","","1060.07","0.16","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","","Rodrigues, Daniel A.; Pinheiro, Pedro de Sena M.; S. Sagrillo, Fernanda; R. Freitas, Maria Clara; A. Alves, Marina; Thota, Sreekanth; Tinoco, Luzineide W.; Magalhães, Alvicler; Sant’Anna, Carlos M. R.; Fraga, Carlos A. M.","Structure‒property relationship studies of 3-acyl-substituted furans: the serendipitous identification and characterization of a new non-classical hydrogen bond donor moiety","New Journal of Chemistry","2020","44","26","10994","11005","10.1039/D0NJ01598A","","x-ray","0.71073","MoKα","","0.1009","0.0524","","","0.1139","0.1337","","","","","","1.06","","","","has coordinates","257718","2020-10-21","18:00:00",""
"7059699","18.9613","0.0009","9.3523","0.0004","26.6508","0.0012","90","","91.116","0.002","90","","4725.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H62 Cl3 N3 Pd -","- C46 H62 Cl3 N3 Pd -","- C184 H248 Cl12 N12 Pd4 -","4","1","","Reddy, Motakatla Venkata Krishna; Anusha, Gokanapalli; Reddy, Peddiahgari Vasu Govardhana","Sterically enriched bulky 1,3-bis(N,N′-aralkyl)benzimidazolium based Pd-PEPPSI complexes for Buchwald‒Hartwig amination reactions","New Journal of Chemistry","2020","44","27","11694","11703","10.1039/D0NJ01294G","","","0.71073","MoKα","","0.0966","0.0535","","","0.1151","0.144","","","","","","1.052","","","","has coordinates,has disorder","257673","2020-10-21","18:00:00",""
"7059700","11.0392","0.0006","12.2336","0.0006","27.2764","0.0015","90","","96.775","0.006","90","","3657.9","0.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Cl F6 Ni O P3 S2 -","- C36 H32 Cl F6 Ni O P3 S2 -","- C144 H128 Cl4 F24 Ni4 O4 P12 S8 -","4","1","","Kumari, Kavita; Kumar, Saurabh; Singh, Krishna Nand; Drew, Michael G. B.; Singh, Nanhai","Synthesis and characterization of new square planar heteroleptic cationic complexes [Ni(ii) β-oxodithioester-dppe]+; their use as a catalyst for Chan‒Lam coupling","New Journal of Chemistry","2020","44","28","12143","12153","10.1039/D0NJ01139H","","","0.71073","MoKα","","0.1729","0.09","","","0.1804","0.2155","","","","","","0.994","","","","has coordinates","257639","2020-10-21","18:00:00",""
"7059701","10.9357","0.0004","12.1613","0.0005","28.0623","0.0012","90","","98.931","0.001","90","","3686.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 F6 Ni O2 P3 S2 -","- C37 H35 F6 Ni O2 P3 S2 -","- C148 H140 F24 Ni4 O8 P12 S8 -","4","1","","Kumari, Kavita; Kumar, Saurabh; Singh, Krishna Nand; Drew, Michael G. B.; Singh, Nanhai","Synthesis and characterization of new square planar heteroleptic cationic complexes [Ni(ii) β-oxodithioester-dppe]+; their use as a catalyst for Chan‒Lam coupling","New Journal of Chemistry","2020","44","28","12143","12153","10.1039/D0NJ01139H","","","0.71073","MoKα","","0.0908","0.0649","","","0.112","0.1242","","","","","","1.068","","","","has coordinates","257639","2020-10-21","18:00:00",""
"7059702","11.1751","0.0006","12.1847","0.0006","28.1335","0.0015","90","","100.96","0.006","90","","3760.9","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H35 F6 Ni O P3 S2 -","- C40 H35 F6 Ni O P3 S2 -","- C160 H140 F24 Ni4 O4 P12 S8 -","4","1","","Kumari, Kavita; Kumar, Saurabh; Singh, Krishna Nand; Drew, Michael G. B.; Singh, Nanhai","Synthesis and characterization of new square planar heteroleptic cationic complexes [Ni(ii) β-oxodithioester-dppe]+; their use as a catalyst for Chan‒Lam coupling","New Journal of Chemistry","2020","44","28","12143","12153","10.1039/D0NJ01139H","","","0.71073","MoKα","","0.0886","0.0604","","","0.113","0.1252","","","","","","1.069","","","","has coordinates","257639","2020-10-21","18:00:00",""
"7059703","10.9862","0.0004","12.1826","0.0004","27.6729","0.0011","90","","98.034","0.004","90","","3667.4","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Br F6 Ni O P3 S2 -","- C36 H32 Br F6 Ni O P3 S2 -","- C144 H128 Br4 F24 Ni4 O4 P12 S8 -","4","1","","Kumari, Kavita; Kumar, Saurabh; Singh, Krishna Nand; Drew, Michael G. B.; Singh, Nanhai","Synthesis and characterization of new square planar heteroleptic cationic complexes [Ni(ii) β-oxodithioester-dppe]+; their use as a catalyst for Chan‒Lam coupling","New Journal of Chemistry","2020","44","28","12143","12153","10.1039/D0NJ01139H","","","0.71073","MoKα","","0.1134","0.0579","","","0.1187","0.1383","","","","","","0.921","","","","has coordinates","257639","2020-10-21","18:00:00",""
"7059704","9.159","0.004","7.816","0.003","24.42","0.011","90","","99.059","0.007","90","","1726.3","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 Co N15 -","- C8 H22 Co N15 -","- C32 H88 Co4 N60 -","4","1","","Jana, Narayan Ch.; Brandão, Paula; Panja, Anangamohan","The first report of a tetra-azide bound mononuclear cobalt(iii) complex and its comparative biomimetic catalytic activity with tri-azide bound cobalt(iii) compounds","New Journal of Chemistry","2020","44","27","11527","11536","10.1039/D0NJ02339F","","","0.71073","MoKα","","0.1198","0.0879","","","0.2218","0.2626","","","","","","1.143","","","","has coordinates","257671","2020-10-21","18:00:00",""
"7059705","8.5905","0.0004","15.1046","0.0007","10.9917","0.0005","90","","99.511","0.002","90","","1406.63","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H19 Co N12 -","- C7 H19 Co N12 -","- C28 H76 Co4 N48 -","4","1","","Jana, Narayan Ch.; Brandão, Paula; Panja, Anangamohan","The first report of a tetra-azide bound mononuclear cobalt(iii) complex and its comparative biomimetic catalytic activity with tri-azide bound cobalt(iii) compounds","New Journal of Chemistry","2020","44","27","11527","11536","10.1039/D0NJ02339F","","","0.71073","MoKα","","0.041","0.0285","","","0.0645","0.0701","","","","","","1.018","","","","has coordinates","257671","2020-10-21","18:00:00",""
"7059706","8.1748","0.0018","9.1211","0.0019","11.034","0.002","89.394","0.009","78.199","0.009","66.964","0.008","738.9","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H21 Co N12 -","- C8 H21 Co N12 -","- C16 H42 Co2 N24 -","2","1","","Jana, Narayan Ch.; Brandão, Paula; Panja, Anangamohan","The first report of a tetra-azide bound mononuclear cobalt(iii) complex and its comparative biomimetic catalytic activity with tri-azide bound cobalt(iii) compounds","New Journal of Chemistry","2020","44","27","11527","11536","10.1039/D0NJ02339F","","","0.71073","MoKα","","0.0282","0.0262","","","0.0618","0.0627","","","","","","1.125","","","","has coordinates,has disorder","257671","2020-10-21","18:00:00",""
"7059707","7.8034","0.0002","13.062","0.0003","14.6101","0.0004","91.3974","0.001","92.4383","0.0011","92.1014","0.001","1486.33","0.07","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 F6 N S -","- C16 H11 F6 N S -","- C64 H44 F24 N4 S4 -","4","2","","Ergun, Selin; Casselman, Matthew D.; Kaur, Aman Preet; Attanayake, N. Harsha; Parkin, Sean R.; Odom, Susan A.","Improved synthesis of N-ethyl-3,7-bis(trifluoromethyl)phenothiazine","New Journal of Chemistry","2020","44","26","11349","11355","10.1039/D0NJ00184H","","","0.71073","MoKα","","0.1035","0.0576","","","0.1325","0.1538","","","","","","1.057","","","","has coordinates","257714","2020-10-21","18:00:00",""
"7059708","9.7969","0.0002","26.2133","0.0006","10.1713","0.0002","90","","115.865","0.0008","90","","2350.42","0.09","90","0.2","90","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl6 F6 N S Sb -","- C16 H11 Cl6 F6 N S Sb -","- C64 H44 Cl24 F24 N4 S4 Sb4 -","4","1","","Ergun, Selin; Casselman, Matthew D.; Kaur, Aman Preet; Attanayake, N. Harsha; Parkin, Sean R.; Odom, Susan A.","Improved synthesis of N-ethyl-3,7-bis(trifluoromethyl)phenothiazine","New Journal of Chemistry","2020","44","26","11349","11355","10.1039/D0NJ00184H","","","0.71073","MoKα","","0.0391","0.0266","","","0.0657","0.0689","","","","","","1.077","","","","has coordinates","257714","2020-10-21","18:00:00",""
"7059709","10.3743","0.0005","17.9247","0.0007","11.0539","0.0006","90","","114.482","0.006","90","","1870.73","0.18","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C4 H7 N15 O2 Zn2 -","- C4 H7 N15 O2 Zn2 -","- C16 H28 N60 O8 Zn8 -","4","0.5","","Talha, Khalid; Alamgir,; He, Tao; Xie, Lin-Hua; Wang, Bin; Zhao, Min-Jian; Zhang, Yong-Zheng; Chen, Qiang; Li, Jian-Rong","A three-dimensional metal‒organic framework with high performance of dual cation sensing synthesized via single-crystal transformation","New Journal of Chemistry","2020","44","27","11829","11834","10.1039/D0NJ02617D","","","1.54178","CuKα","","0.1474","0.1444","","","0.375","0.377","","","","","","0.947","","","","has coordinates","257675","2020-10-21","18:00:00",""
"7059710","17.2632","0.0007","25.2792","0.0015","10.2353","0.0004","90","","90","","90","","4466.7","0.4","293","2","293","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C9 H2 N15 O4 S Zn2 -","- C9 H2 N15 O4 S Zn2 -","- C36 H8 N60 O16 S4 Zn8 -","4","0.5","","Talha, Khalid; Alamgir,; He, Tao; Xie, Lin-Hua; Wang, Bin; Zhao, Min-Jian; Zhang, Yong-Zheng; Chen, Qiang; Li, Jian-Rong","A three-dimensional metal‒organic framework with high performance of dual cation sensing synthesized via single-crystal transformation","New Journal of Chemistry","2020","44","27","11829","11834","10.1039/D0NJ02617D","","","0.71073","MoKα","","0.0566","0.0394","","","0.1021","0.1102","","","","","","0.97","","","","has coordinates","257675","2020-10-21","18:00:00",""
"7059711","13.2481","0.0004","8.2931","0.0003","12.1623","0.0004","90","","90","","90","","1336.25","0.08","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H10 O5 S -","- C15 H10 O5 S -","- C60 H40 O20 S4 -","4","1","","Singhal, Divya; Althagafi, Ismail; Kumar, Ashish; Yadav, Saroj; Prasad, Ashok K.; Pratap, Ramendra","Thieno[3,2-c]pyran: an ESIPT based fluorescence “turn-on” molecular chemosensor with AIE properties for the selective recognition of Zn2+ ion","New Journal of Chemistry","2020","44","28","12019","12026","10.1039/D0NJ02236E","","","0.71073","MoKα","","0.0728","0.0453","","","0.1124","0.1453","","","","","","0.648","","","","has coordinates","257642","2020-10-21","18:00:00",""
"7059712","9.6699","0.0005","10.489","0.0005","14.1542","0.0007","98.933","0.002","92.81","0.002","116.519","0.002","1257.57","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H35 Cl2 N2 O2 -","- C26 H35 Cl2 N2 O2 -","- C52 H70 Cl4 N4 O4 -","2","1","","Roy, Satabdi; Banerjee, Atanu; Lima, Sudhir; Horn Jr, Adolfo; Sampaio, Raquel M. S. N.; Ribeiro, Nádia; Correia, Isabel; Avecilla, Fernando; Carvalho, M. Fernanda N. N.; Kuznetsov, Maxim L.; Pessoa, João Costa; Kaminsky, Werner; Dinda, Rupam","Unusual chemistry of Cu(ii) salan complexes: synthesis, characterization and superoxide dismutase activity","New Journal of Chemistry","2020","44","27","11457","11470","10.1039/D0NJ01892A","","","0.71073","MoKα","","0.0517","0.0476","","","0.117","0.1218","","","","","","1.079","","","","has coordinates,has disorder","257679","2020-10-21","18:00:00",""
"7059713","13.4263","0.0011","10.4815","0.0007","22.0703","0.0019","90","","88.723","0.002","90","","3105.1","0.4","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","SA_35","SA_35","","- C28 H42 Cl2 Cu N2 O3 S -","- C28 H42 Cl2 Cu N2 O3 S -","- C112 H168 Cl8 Cu4 N8 O12 S4 -","4","1","","Roy, Satabdi; Banerjee, Atanu; Lima, Sudhir; Horn Jr, Adolfo; Sampaio, Raquel M. S. N.; Ribeiro, Nádia; Correia, Isabel; Avecilla, Fernando; Carvalho, M. Fernanda N. N.; Kuznetsov, Maxim L.; Pessoa, João Costa; Kaminsky, Werner; Dinda, Rupam","Unusual chemistry of Cu(ii) salan complexes: synthesis, characterization and superoxide dismutase activity","New Journal of Chemistry","2020","44","27","11457","11470","10.1039/D0NJ01892A","","","0.71073","MoKα","","0.2172","0.071","","","0.1341","0.1841","","","","","","0.983","","","","has coordinates,has disorder","257679","2020-10-21","18:00:00",""
"7059714","9.9131","0.0011","12.5169","0.0014","12.6036","0.0013","66.017","0.005","84.101","0.006","79.497","0.006","1404.2","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","sa_34","sa_34","","- C29 H44 Cu N O3 -","- C29 H44 Cu N2 O3 -","- C58 H88 Cu2 N4 O6 -","2","1","","Roy, Satabdi; Banerjee, Atanu; Lima, Sudhir; Horn Jr, Adolfo; Sampaio, Raquel M. S. N.; Ribeiro, Nádia; Correia, Isabel; Avecilla, Fernando; Carvalho, M. Fernanda N. N.; Kuznetsov, Maxim L.; Pessoa, João Costa; Kaminsky, Werner; Dinda, Rupam","Unusual chemistry of Cu(ii) salan complexes: synthesis, characterization and superoxide dismutase activity","New Journal of Chemistry","2020","44","27","11457","11470","10.1039/D0NJ01892A","","","0.71073","MoKα","","0.1367","0.0524","","","0.1059","0.1368","","","","","","0.977","","","","has coordinates","257679","2020-10-21","18:00:00",""
"7059715","15.048","0.002","21.675","0.003","16.615","0.002","90","","93.091","0.008","90","","5411.4","1.2","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","SA_30","SA_30","","- C27 H38 Cl2 Cu N2 O3 -","- C27 H38 Cl2 Cu N2 O3 -","- C216 H304 Cl16 Cu8 N16 O24 -","8","2","","Roy, Satabdi; Banerjee, Atanu; Lima, Sudhir; Horn Jr, Adolfo; Sampaio, Raquel M. S. N.; Ribeiro, Nádia; Correia, Isabel; Avecilla, Fernando; Carvalho, M. Fernanda N. N.; Kuznetsov, Maxim L.; Pessoa, João Costa; Kaminsky, Werner; Dinda, Rupam","Unusual chemistry of Cu(ii) salan complexes: synthesis, characterization and superoxide dismutase activity","New Journal of Chemistry","2020","44","27","11457","11470","10.1039/D0NJ01892A","","","0.71073","MoKα","","0.1662","0.0875","","","0.2096","0.2579","","","","","","1.026","","","","has coordinates","295677","2024-10-30","18:34:33",""
"7059716","18.9276","0.0012","4.6593","0.0004","24.5504","0.0015","90","","99.376","0.003","90","","2136.2","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N5 O2 -","- C10 H13 N5 O2 -","- C80 H104 N40 O16 -","8","2","","García-Raso, Angel; Terrón, Angel; Balle, Bartomeu; López-Zafra, Adela; Frontera, Antonio; Barceló-Oliver, Miquel; Fiol, Juan J.","Crystal structures of N6-modified-amino acid nucleobase analogs(iii): adenine‒valeric acid, adenine‒hexanoic acid and adenine‒gabapentine","New Journal of Chemistry","2020","44","28","12236","12246","10.1039/D0NJ02538K","","","1.54178","CuKα","","0.035","0.0324","","","0.0832","0.085","","","","","","1.058","","","","has coordinates","257644","2020-10-21","18:00:00",""
"7059717","12.3113","0.0008","5.294","0.0004","20.4958","0.0014","90","","92.104","0.002","90","","1334.93","0.16","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Cl N5 O2 -","- C11 H16 Cl N5 O2 -","- C44 H64 Cl4 N20 O8 -","4","1","","García-Raso, Angel; Terrón, Angel; Balle, Bartomeu; López-Zafra, Adela; Frontera, Antonio; Barceló-Oliver, Miquel; Fiol, Juan J.","Crystal structures of N6-modified-amino acid nucleobase analogs(iii): adenine‒valeric acid, adenine‒hexanoic acid and adenine‒gabapentine","New Journal of Chemistry","2020","44","28","12236","12246","10.1039/D0NJ02538K","","","1.54178","CuKα","","0.054","0.054","","","0.1544","0.1545","","","","","","1.137","","","","has coordinates","257644","2020-10-21","18:00:00",""
"7059718","12.3472","0.0005","6.8033","0.0003","18.2781","0.0007","90","","108.271","0.001","90","","1457.98","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 N5 O3 -","- C14 H21 N5 O3 -","- C56 H84 N20 O12 -","4","1","","García-Raso, Angel; Terrón, Angel; Balle, Bartomeu; López-Zafra, Adela; Frontera, Antonio; Barceló-Oliver, Miquel; Fiol, Juan J.","Crystal structures of N6-modified-amino acid nucleobase analogs(iii): adenine‒valeric acid, adenine‒hexanoic acid and adenine‒gabapentine","New Journal of Chemistry","2020","44","28","12236","12246","10.1039/D0NJ02538K","","","1.54178","CuKα","","0.0349","0.034","","","0.0932","0.0943","","","","","","1.065","","","","has coordinates","257644","2020-10-21","18:00:00",""
"7059719","7.159","0.004","9.126","0.004","9.472","0.004","102.47","0.04","91.989","0.009","98.392","0.009","596.4","0.5","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 N5 O2 -","- C11 H15 N5 O2 -","- C22 H30 N10 O4 -","2","1","","García-Raso, Angel; Terrón, Angel; Balle, Bartomeu; López-Zafra, Adela; Frontera, Antonio; Barceló-Oliver, Miquel; Fiol, Juan J.","Crystal structures of N6-modified-amino acid nucleobase analogs(iii): adenine‒valeric acid, adenine‒hexanoic acid and adenine‒gabapentine","New Journal of Chemistry","2020","44","28","12236","12246","10.1039/D0NJ02538K","","x-ray","0.71073","MoKα","","0.0716","0.0551","","","0.1403","0.1481","","","","","","1.046","","","","has coordinates","257644","2020-10-21","18:00:00",""
"7059720","12.9292","0.0012","10.5655","0.001","17.6719","0.0016","90","","92.537","0.002","90","","2411.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Pyrrole derivative","","","- C28 H25 N3 O5 -","- C28 H25 N3 O5 -","- C112 H100 N12 O20 -","4","1","","Singh, Manpreet; Paul, Avijit Kumar; Singh, Virender","A transition metal-free approach towards the regioselective synthesis of β-carboline tethered pyrroles and 2,3-dihydro-1H-pyrroles","New Journal of Chemistry","2020","44","28","12370","12383","10.1039/D0NJ02315A","","","0.71073","MoKα","","0.1294","0.0608","","","0.1475","0.1746","","","","","","0.925","","","","has coordinates","257643","2020-10-21","18:00:00",""
"7059721","7.5299","0.0002","7.987","0.0002","14.8987","0.0004","92.9","0.002","95.074","0.002","89.857","0.002","891.37","0.04","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 Cl2 Cu N6 O6 -","- C40 H34 Cl2 Cu N6 O6 -","- C40 H34 Cl2 Cu N6 O6 -","1","0.5","","Jozefíková, Flóra; Perontsis, Spyros; Šimunková, Miriama; Barbieriková, Zuzana; Švorc, L’ubomír; Valko, Marian; Psomas, George; Moncol’, Ján","Novel copper(ii) complexes with fenamates and isonicotinamide: structure and properties, and interactions with DNA and serum albumin","New Journal of Chemistry","2020","44","29","12827","12842","10.1039/D0NJ02007A","","","1.54186","CuKα","","0.0447","0.0397","","","0.111","0.1125","","","","","","1.112","","","","has coordinates","257633","2020-10-21","18:00:00",""
"7059722","7.9504","0.0004","11.2409","0.0005","11.5631","0.0005","111.459","0.003","107.655","0.004","96.108","0.004","888.51","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Cl2 Cu N8 O6 -","- C38 H32 Cl2 Cu N8 O6 -","- C38 H32 Cl2 Cu N8 O6 -","1","0.5","","Jozefíková, Flóra; Perontsis, Spyros; Šimunková, Miriama; Barbieriková, Zuzana; Švorc, L’ubomír; Valko, Marian; Psomas, George; Moncol’, Ján","Novel copper(ii) complexes with fenamates and isonicotinamide: structure and properties, and interactions with DNA and serum albumin","New Journal of Chemistry","2020","44","29","12827","12842","10.1039/D0NJ02007A","","","1.54186","CuKα","","0.0489","0.0416","","","0.122","0.1283","","","","","","1.038","","","","has coordinates","257633","2020-10-21","18:00:00",""
"7059723","15.1963","0.0011","7.4203","0.0005","17.8011","0.0009","90","","100.924","0.005","90","","1970.9","0.2","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Cl4 Cu N6 O6 -","- C40 H32 Cl4 Cu N6 O6 -","- C80 H64 Cl8 Cu2 N12 O12 -","2","0.5","","Jozefíková, Flóra; Perontsis, Spyros; Šimunková, Miriama; Barbieriková, Zuzana; Švorc, L’ubomír; Valko, Marian; Psomas, George; Moncol’, Ján","Novel copper(ii) complexes with fenamates and isonicotinamide: structure and properties, and interactions with DNA and serum albumin","New Journal of Chemistry","2020","44","29","12827","12842","10.1039/D0NJ02007A","","","1.54186","CuKα","","0.057","0.0446","","","0.1214","0.1254","","","","","","0.95","","","","has coordinates","257633","2020-10-21","18:00:00",""
"7059724","7.3686","0.0003","11.4683","0.0004","12.1866","0.0005","110.961","0.003","104.284","0.003","103.325","0.003","872.23","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H28 Cu F6 N8 O6 -","- C38 H28 Cu F6 N8 O6 -","- C38 H28 Cu F6 N8 O6 -","1","0.5","","Jozefíková, Flóra; Perontsis, Spyros; Šimunková, Miriama; Barbieriková, Zuzana; Švorc, L’ubomír; Valko, Marian; Psomas, George; Moncol’, Ján","Novel copper(ii) complexes with fenamates and isonicotinamide: structure and properties, and interactions with DNA and serum albumin","New Journal of Chemistry","2020","44","29","12827","12842","10.1039/D0NJ02007A","","","1.54186","CuKα","","0.0324","0.0296","","","0.0807","0.0823","","","","","","1.048","","","","has coordinates","257633","2020-10-21","18:00:00",""
"7059725","7.5432","0.0002","8.0729","0.0002","14.8265","0.0003","86.028","0.002","85.211","0.002","89.102","0.002","897.51","0.04","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Cu N6 O6 -","- C42 H40 Cu N6 O6 -","- C42 H40 Cu N6 O6 -","1","0.5","","Jozefíková, Flóra; Perontsis, Spyros; Šimunková, Miriama; Barbieriková, Zuzana; Švorc, L’ubomír; Valko, Marian; Psomas, George; Moncol’, Ján","Novel copper(ii) complexes with fenamates and isonicotinamide: structure and properties, and interactions with DNA and serum albumin","New Journal of Chemistry","2020","44","29","12827","12842","10.1039/D0NJ02007A","","","1.54186","CuKα","","0.0412","0.034","","","0.0864","0.0883","","","","","","0.936","","","","has coordinates","257633","2020-10-21","18:00:00",""
"7059726","12.993","0.008","14.39","0.008","16.869","0.01","90","","95.997","0.006","90","","3137","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 Cl2 Cu N5 O9 -","- C27 H30 Cl2 Cu N5 O9 -","- C108 H120 Cl8 Cu4 N20 O36 -","4","1","","Pi, Wen-Hui; Li, Qi-Jun; Wu, Min; Zhou, Xiao-Lin; Wei, Jia-Ni; Zhu, Xian-Hong; Zhang, Hua-Xin","Dicopper(ii) tetrapyridyl complexes incorporated with ancillary ligands for effective water oxidation","New Journal of Chemistry","2020","44","28","12194","12200","10.1039/D0NJ00624F","","","0.71073","MoKα","","0.066","0.0491","","","0.1456","0.1601","","","","","","1.005","","","","has coordinates","257647","2020-10-21","18:00:00",""
"7059727","8.6833","0.0004","13.4612","0.0008","17.1272","0.0009","90","","91.706","0.004","90","","2001.07","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C96 H84 N12 O12 -","4","1","","Ramesh, Golla; P., Raghavendra Kumar; Pillegowda, Manohar; Periyasamy, Ganga; Suchetan, P. A.; Butcher, R. J.; Foro, Sabine; Nagaraju, G.","Synthesis, crystal structures, photophysical, electrochemical studies, DFT and TD-DFT calculations and Hirshfeld analysis of new 2,2′:6′,2′′-terpyridine ligands with pendant 4′-(trimethoxyphenyl) groups and their homoleptic ruthenium complexes","New Journal of Chemistry","2020","44","27","11471","11489","10.1039/D0NJ00046A","","","0.71073","MoKα","","0.0433","0.0337","","","0.0988","0.106","","","","","","1.006","","","","has coordinates","257674","2020-10-21","18:00:00",""
"7059728","8.8332","0.0005","17.4183","0.0009","17.9294","0.0009","63.3","0.004","87.46","0.005","89.376","0.006","2461.9","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H42 F12 N6 O6 P2 Ru -","- C48 H42 F12 N6 O6 P2 Ru -","- C96 H84 F24 N12 O12 P4 Ru2 -","2","1","","Ramesh, Golla; P., Raghavendra Kumar; Pillegowda, Manohar; Periyasamy, Ganga; Suchetan, P. A.; Butcher, R. J.; Foro, Sabine; Nagaraju, G.","Synthesis, crystal structures, photophysical, electrochemical studies, DFT and TD-DFT calculations and Hirshfeld analysis of new 2,2′:6′,2′′-terpyridine ligands with pendant 4′-(trimethoxyphenyl) groups and their homoleptic ruthenium complexes","New Journal of Chemistry","2020","44","27","11471","11489","10.1039/D0NJ00046A","","","0.71073","MoKα","","0.0511","0.0389","","","0.1011","0.1072","","","","","","1.047","","","","has coordinates,has disorder","257674","2020-10-21","18:00:00",""
"7059729","11.4094","0.0005","12.1354","0.0006","19.0576","0.0008","105.131","0.004","95.341","0.004","101.205","0.004","2469.7","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H46 F12 N6 O8 P2 Ru -","- C48 H46.001 F12 N6 O8 P2 Ru -","- C96 H92.002 F24 N12 O16 P4 Ru2 -","2","1","","Ramesh, Golla; P., Raghavendra Kumar; Pillegowda, Manohar; Periyasamy, Ganga; Suchetan, P. A.; Butcher, R. J.; Foro, Sabine; Nagaraju, G.","Synthesis, crystal structures, photophysical, electrochemical studies, DFT and TD-DFT calculations and Hirshfeld analysis of new 2,2′:6′,2′′-terpyridine ligands with pendant 4′-(trimethoxyphenyl) groups and their homoleptic ruthenium complexes","New Journal of Chemistry","2020","44","27","11471","11489","10.1039/D0NJ00046A","","","0.71073","MoKα","","0.0869","0.0756","","","0.1841","0.1919","","","","","","1.077","","","","has coordinates,has disorder","257674","2020-10-21","18:00:00",""
"7059730","7.5412","0.0005","33.74","0.003","7.9862","0.0005","90","","92.588","0.007","90","","2029.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C96 H84 N12 O12 -","4","1","","Ramesh, Golla; P., Raghavendra Kumar; Pillegowda, Manohar; Periyasamy, Ganga; Suchetan, P. A.; Butcher, R. J.; Foro, Sabine; Nagaraju, G.","Synthesis, crystal structures, photophysical, electrochemical studies, DFT and TD-DFT calculations and Hirshfeld analysis of new 2,2′:6′,2′′-terpyridine ligands with pendant 4′-(trimethoxyphenyl) groups and their homoleptic ruthenium complexes","New Journal of Chemistry","2020","44","27","11471","11489","10.1039/D0NJ00046A","","","0.71073","MoKα","","0.0584","0.0474","","","0.1133","0.1183","","","","","","1.118","","","","has coordinates","257674","2020-10-21","18:00:00",""
"7059731","30.16","0.004","30.16","0.004","14.716","0.003","90","","90","","90","","13386","4","100.15","","100.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","(PPh4)4[(MoO2)4(9HL)4].4MeOH.3H2O","","","- C152 H122 Mo4 O35 P4 -","- C148 H100 Mo4 O28 P4 -","- C592 H400 Mo16 O112 P16 -","4","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; Hudson, Timothy A.; Robson, Richard","A new fluorone-based bridging ligand for discrete and polymeric assemblies including Mo and W based [4+4] metallocycles","New Journal of Chemistry","2020","44","27","11437","11440","10.1039/D0NJ02413A","","","0.7109","Synchrotron","","0.1022","0.0745","","","0.1505","0.1694","","","","","","1.061","","","","has coordinates,has disorder","257678","2020-10-21","18:00:00",""
"7059732","30.3905","0.0003","30.3905","0.0003","14.8757","0.0002","90","","90","","90","","13738.9","0.3","130.15","","130.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","(AsPh4)4[(WO2)4(9HL)4].4MeOH.4H2O","","","- C152 H124 As4 O36 W4 -","- C150 H108 As4 O30 W4 -","- C600 H432 As16 O120 W16 -","4","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; Hudson, Timothy A.; Robson, Richard","A new fluorone-based bridging ligand for discrete and polymeric assemblies including Mo and W based [4+4] metallocycles","New Journal of Chemistry","2020","44","27","11437","11440","10.1039/D0NJ02413A","","x-ray","1.54184","CuKα","","0.0467","0.0428","","","0.0964","0.098","","","","","","1.07","","","","has coordinates,has disorder","257678","2020-10-21","18:00:00",""
"7059733","30.135","0.004","30.135","0.004","14.809","0.003","90","","90","","90","","13448","4","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","(AsPh4)4[(MoO2)4(9HL)4].3MeOH.4H2O","","","- C151 H120 As4 Mo4 O35 -","- C148 H104 As4 Mo4 O32 -","- C592 H416 As16 Mo16 O128 -","4","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; Hudson, Timothy A.; Robson, Richard","A new fluorone-based bridging ligand for discrete and polymeric assemblies including Mo and W based [4+4] metallocycles","New Journal of Chemistry","2020","44","27","11437","11440","10.1039/D0NJ02413A","","","0.7107","MoKα","","0.0562","0.047","","","0.1126","0.1191","","","","","","1.034","","","","has coordinates,has disorder","257678","2020-10-21","18:00:00",""
"7059734","30.2142","0.0002","30.2142","0.0002","14.7473","0.0002","90","","90","","90","","13462.8","0.2","100","0.1","100","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","(PPh4)4[(WO2)4(9HL)4].4MeOH.3H2O","","","- C152 H122 O35 P4 W4 -","- C148 H100 O28 P4 W4 -","- C592 H400 O112 P16 W16 -","4","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; Hudson, Timothy A.; Robson, Richard","A new fluorone-based bridging ligand for discrete and polymeric assemblies including Mo and W based [4+4] metallocycles","New Journal of Chemistry","2020","44","27","11437","11440","10.1039/D0NJ02413A","","","1.54184","CuKα","","0.0446","0.0406","","","0.1027","0.1051","","","","","","1.056","","","","has coordinates,has disorder","257678","2020-10-21","18:00:00",""
"7059735","6.096","0.0007","7.6004","0.0009","15.3686","0.0018","85.08","0.001","87.562","0.001","78.958","0.001","696.05","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H10 Cl N3 O2 -","- C17 H10 Cl N3 O2 -","- C34 H20 Cl2 N6 O4 -","2","1","","He, Xinwei; Li, Ruxue; Xie, Mengqing; Duan, Jiahui; Tang, Qiang; Shang, Yongjia","Copper-catalyzed cascade three-component azide‒alkyne cycloaddition/condensation/transesterification: easy access to 3-triazolylcoumarins","New Journal of Chemistry","2020","44","28","12266","12273","10.1039/D0NJ02100H","","","0.71073","MoKα","","0.0394","0.035","","","0.0976","0.1023","","","","","","1.026","","","","has coordinates","257640","2020-10-21","18:00:00",""
"7059736","9.575","0.005","8.789","0.005","19.045","0.005","90","","96.14","0.005","90","","1593.5","1.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cl2 Cu N3 O -","- C16 H15 Cl2 Cu N3 O -","- C64 H60 Cl8 Cu4 N12 O4 -","4","1","","Podder, Nirmalya; Mandal, Sukanta","Aerobic oxidation of 2-aminophenol catalysed by a series of mononuclear copper(ii) complexes: phenoxazinone synthase-like activity and mechanistic study","New Journal of Chemistry","2020","44","29","12793","12805","10.1039/D0NJ02558E","","","0.71073","MoKα","","0.0884","0.0503","","","0.1189","0.1351","","","","","","1.009","","","","has coordinates","257634","2020-10-21","18:00:00",""
"7059737","6.7255","0.0019","23.788","0.007","9.162","0.003","90","","102.396","0.01","90","","1431.6","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cl2 Cu N4 -","- C14 H12 Cl2 Cu N4 -","- C56 H48 Cl8 Cu4 N16 -","4","1","","Podder, Nirmalya; Mandal, Sukanta","Aerobic oxidation of 2-aminophenol catalysed by a series of mononuclear copper(ii) complexes: phenoxazinone synthase-like activity and mechanistic study","New Journal of Chemistry","2020","44","29","12793","12805","10.1039/D0NJ02558E","","","0.71073","MoKα","","0.1064","0.0661","","","0.1539","0.173","","","","","","1","","","","has coordinates","257634","2020-10-21","18:00:00",""
"7059738","8.706","0.006","9.442","0.008","11.725","0.009","94.12","0.05","98","0.04","109.84","0.05","890.4","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl2 Cu N4 O -","- C18 H14 Cl2 Cu N4 O -","- C36 H28 Cl4 Cu2 N8 O2 -","2","1","","Podder, Nirmalya; Mandal, Sukanta","Aerobic oxidation of 2-aminophenol catalysed by a series of mononuclear copper(ii) complexes: phenoxazinone synthase-like activity and mechanistic study","New Journal of Chemistry","2020","44","29","12793","12805","10.1039/D0NJ02558E","","","0.71073","MoKα","","0.1","0.0777","","","0.2084","0.2289","","","","","","1.041","","","","has coordinates","257634","2020-10-21","18:00:00",""
"7059739","8.343981","0.000017","5.57895","0.000013","27.61589","0.00003","90","","98.345","0.003","90","","1271.93","0.011","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 S4 -","- C32 H22 S4 -","- C64 H44 S8 -","2","0.5","","Roger, Maxime; Amro, Kassem; Rault-Berthelot, Joëlle; Quiot, Mathias; Van der Lee, Arie; Poriel, Cyril; Richeter, Sébastien; Clément, Sébastien; Gerbier, Philippe","Synthesis, photophysical and electropolymerization properties of thiophene-substituted 2,3-diphenylbuta-1,3-dienes","New Journal of Chemistry","2020","44","29","12556","12567","10.1039/D0NJ02382E","","","0.71073","MoKα","","0.051","0.0378","","0.1269","0.0764","0.1269","","","","","","1.1203","","","","has coordinates","257631","2020-10-21","18:00:00",""
"7059740","9.7622","0.0005","22.7394","0.001","11.8095","0.0006","90","","90","","90","","2621.6","0.2","175","","175","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H26 O4 S2 Si -","- C30 H26 O4 S2 Si -","- C120 H104 O16 S8 Si4 -","4","0.5","","Roger, Maxime; Amro, Kassem; Rault-Berthelot, Joëlle; Quiot, Mathias; Van der Lee, Arie; Poriel, Cyril; Richeter, Sébastien; Clément, Sébastien; Gerbier, Philippe","Synthesis, photophysical and electropolymerization properties of thiophene-substituted 2,3-diphenylbuta-1,3-dienes","New Journal of Chemistry","2020","44","29","12556","12567","10.1039/D0NJ02382E","","","0.71073","MoKα","","0.0452","0.0452","","0.0378","0.0378","0.0378","","","","","","1.1738","","","","has coordinates,has disorder","257631","2020-10-21","18:00:00",""
"7059741","8.974979","0.000018","9.87642","0.00002","11.38296","0.00002","100.05","0.003","98.367","0.003","104.414","0.003","943.16","0.02","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H18 S2 -","- C24 H18 S2 -","- C48 H36 S4 -","2","1","","Roger, Maxime; Amro, Kassem; Rault-Berthelot, Joëlle; Quiot, Mathias; Van der Lee, Arie; Poriel, Cyril; Richeter, Sébastien; Clément, Sébastien; Gerbier, Philippe","Synthesis, photophysical and electropolymerization properties of thiophene-substituted 2,3-diphenylbuta-1,3-dienes","New Journal of Chemistry","2020","44","29","12556","12567","10.1039/D0NJ02382E","","","0.71073","MoKα","","0.0472","0.0361","","0.0931","0.0853","0.0931","","","","","","0.9956","","","","has coordinates","257631","2020-10-21","18:00:00",""
"7059742","8.8483","0.0007","10.5831","0.0007","13.2516","0.001","90","","102.518","0.007","90","","1211.41","0.16","162","2","162","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-((1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylene)hydrazine-1-carbothioamide '","","","- C12 H15 N3 O S -","- C12 H15 N3 O S -","- C48 H60 N12 O4 S4 -","4","1","","Petrasheuskaya, Tatsiana V.; Kiss, Márton A.; Dömötör, Orsolya; Holczbauer, Tamás; May, Nóra V.; Spengler, Gabriella; Kincses, Annamária; Čipak Gašparović, Ana; Frank, Éva; Enyedy, Éva A.","Salicylaldehyde thiosemicarbazone copper complexes: impact of hybridization with estrone on cytotoxicity, solution stability and redox activity","New Journal of Chemistry","2020","44","28","12154","12168","10.1039/D0NJ01070G","","","1.54178","CuKα","","0.0557","0.0452","","","0.1034","0.1079","","","","","","1.059","","","","has coordinates,has disorder","257645","2020-10-21","18:00:00",""
"7059743","12.362","0.0007","9.1718","0.0005","24.3156","0.0013","90","","90","","90","","2756.9","0.3","168","2","168","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","chloro-(2-((1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylene)hydrazine-1-carbothioamide)-copper(II)","","- C12 H14 Cl Cu N3 O S -","- C12 H14 Cl Cu N3 O S -","- C96 H112 Cl8 Cu8 N24 O8 S8 -","8","1","","Petrasheuskaya, Tatsiana V.; Kiss, Márton A.; Dömötör, Orsolya; Holczbauer, Tamás; May, Nóra V.; Spengler, Gabriella; Kincses, Annamária; Čipak Gašparović, Ana; Frank, Éva; Enyedy, Éva A.","Salicylaldehyde thiosemicarbazone copper complexes: impact of hybridization with estrone on cytotoxicity, solution stability and redox activity","New Journal of Chemistry","2020","44","28","12154","12168","10.1039/D0NJ01070G","","","1.54187","CuKα","","0.1704","0.1326","","","0.2597","0.2774","","","","","","1.26","","","","has coordinates","257645","2020-10-21","18:00:00",""
"7059744","11.8148","0.0005","11.3729","0.0005","11.8979","0.0008","90","","106.398","0.002","90","","1533.67","0.14","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 F6 La O9 -","- C12 H4 F6 La O9 -","- C48 H16 F24 La4 O36 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0215","0.0203","","","0.0559","0.0566","","","","","","1.245","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059745","11.7587","0.0007","11.3554","0.0007","11.9289","0.0011","90","","106.93","0.011","90","","1523.8","0.2","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 F6 O9 Pr -","- C12 H4 F6 O9 Pr -","- C48 H16 F24 O36 Pr4 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0208","0.019","","","0.0433","0.0441","","","","","","1.08","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059746","11.7314","0.0004","11.3436","0.0004","11.936","0.0006","90","","107.15","0.007","90","","1517.77","0.12","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 F6 Nd O9 -","- C12 H4 F6 Nd O9 -","- C48 H16 F24 Nd4 O36 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0156","0.0152","","","0.0395","0.0397","","","","","","1.177","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059747","11.6844","0.0009","11.2772","0.0005","11.8934","0.0006","90","","107.051","0.008","90","","1498.28","0.17","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 F6 O9 Sm -","- C12 H4 F6 O9 Sm -","- C48 H16 F24 O36 Sm4 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0236","0.0214","","","0.0537","0.0547","","","","","","1.059","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059748","11.7966","0.0013","11.3785","0.0011","11.9288","0.0013","90","","106.795","0.002","90","","1532.9","0.3","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 Ce F6 O9 -","- C12 H4 Ce F6 O9 -","- C48 H16 Ce4 F24 O36 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0188","0.0183","","","0.0429","0.0431","","","","","","1.027","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059749","11.65","0.004","11.283","0.003","11.966","0.004","90","","107.656","0.006","90","","1498.8","0.8","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 Eu F6 O9 -","- C12 H4 Eu F6 O9 -","- C48 H16 Eu4 F24 O36 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0172","0.0161","","","0.0385","0.0389","","","","","","1.122","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059750","11.6039","0.0012","11.2358","0.0012","11.9986","0.0019","90","","108.027","0.001","90","","1487.6","0.3","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 F6 O9 Tb -","- C12 H4 F6 O9 Tb -","- C48 H16 F24 O36 Tb4 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0321","0.0274","","","0.0517","0.0534","","","","","","1.052","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059751","11.5557","0.0007","11.1689","0.0007","12.0722","0.0011","90","","108.475","0.012","90","","1477.8","0.2","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 Er F6 O9 -","- C12 H4 Er F6 O9 -","- C48 H16 Er4 F24 O36 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.02","0.0194","","","0.0476","0.0479","","","","","","1.135","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059752","11.5862","0.0012","11.2209","0.0007","12.0224","0.0008","90","","108.174","0.001","90","","1485","0.2","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 Dy F6 O9 -","- C12 H4 Dy F6 O9 -","- C48 H16 Dy4 F24 O36 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0147","0.0136","","","0.0337","0.0342","","","","","","1.063","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059753","8.771","0.0007","8.9368","0.0007","11.531","0.0009","67.313","0.002","68.094","0.003","75.535","0.002","767.76","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H2 F6 O9 Yb -","- C12 H2 F6 O9 Yb -","- C24 H4 F12 O18 Yb2 -","2","1","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0275","0.0267","","","0.0697","0.0703","","","","","","1.065","","","","has coordinates,has disorder","257641","2020-10-21","18:00:00",""
"7059754","11.5655","0.0007","11.198","0.0004","12.0457","0.0005","90","","108.321","0.006","90","","1480.97","0.13","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 F6 Ho O9 -","- C12 H4 F6 Ho O9 -","- C48 H16 F24 Ho4 O36 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0121","0.0117","","","0.03","0.0301","","","","","","1.099","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059755","11.5247","0.0003","11.12","0.0002","12.1254","0.0003","90","","108.868","0.001","90","","1470.43","0.06","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H4 F6 O9 Tm -","- C12 H4 F6 O9 Tm -","- C48 H16 F24 O36 Tm4 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0259","0.0233","","","0.0472","0.0484","","","","","","1.069","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059756","11.6277","0.0008","11.2649","0.0005","11.9648","0.0005","90","","107.745","0.006","90","","1492.64","0.15","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C12 H6 F6 Gd O9 -","- C12 H4 F6 Gd O9 -","- C48 H16 F24 Gd4 O36 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0166","0.0157","","","0.0379","0.0384","","","","","","1.06","","","","has coordinates","257641","2020-10-21","18:00:00",""
"7059757","8.8727","0.0016","8.8936","0.0016","11.561","0.002","67.613","0.002","67.712","0.003","75.395","0.002","774.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H6 F6 Lu O9 -","- C12 H4 F6 Lu O9 -","- C24 H8 F12 Lu2 O18 -","2","1","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August","Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds","New Journal of Chemistry","2020","44","28","12317","12330","10.1039/D0NJ02604B","","x-ray","0.71073","MoKα","","0.0325","0.0267","","","0.0566","0.0582","","","","","","1.103","","","","has coordinates,has disorder","257641","2020-10-21","18:00:00",""
"7059758","12.008","0.003","14.404","0.002","14.372","0.003","90","","90","","90","","2485.8","0.9","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C19 H20 Cd N6 O5 S2 -","- C19 H20 Cd N6 O5 S2 -","- C76 H80 Cd4 N24 O20 S8 -","4","0.5","","Kiani, Mahsa; Bagherzadeh, Mojtaba; Meghdadi, Soraia; Rabiee, Navid; Abbasi, Alireza; Schenk-Joß, Kurt; Tahriri, Mohammadreza; Tayebi, Lobat; Webster, Thomas J.","Development of a novel carboxamide-based off‒on switch fluorescence sensor: Hg2+, Zn2+ and Cd2+","New Journal of Chemistry","2020","44","27","11841","11852","10.1039/D0NJ02595J","","","0.71073","MoKα","","0.0895","0.0744","","","0.1759","0.1858","","","","","","1.187","","","","has coordinates,has disorder","257676","2020-10-21","18:00:00",""
"7059759","14.07","0.003","11.35","0.002","14.666","0.003","90","","92.38","0.03","90","","2340.1","0.8","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19.74 H21.1 Cl0.24 N6 O4.81 S2 Zn -","- C19.74 H21.1 Cl0.24 N6 O4.81 S2 Zn -","- C78.96 H84.4 Cl0.96 N24 O19.24 S8 Zn4 -","4","1","","Kiani, Mahsa; Bagherzadeh, Mojtaba; Meghdadi, Soraia; Rabiee, Navid; Abbasi, Alireza; Schenk-Joß, Kurt; Tahriri, Mohammadreza; Tayebi, Lobat; Webster, Thomas J.","Development of a novel carboxamide-based off‒on switch fluorescence sensor: Hg2+, Zn2+ and Cd2+","New Journal of Chemistry","2020","44","27","11841","11852","10.1039/D0NJ02595J","","","0.6957","synchrotron","","0.0718","0.0715","","","0.1924","0.1925","","","","","","1.182","","","","has coordinates,has disorder","257676","2020-10-21","18:00:00",""
"7059760","35.728","0.002","20.5718","0.0011","20.8517","0.0013","90","","90","","90","","15325.8","1.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H15 Er F18 N4 O6 -","- C29 H15 Er F18 N4 O6 -","- C464 H240 Er16 F288 N64 O96 -","16","2","","Ahmed, Zubair; Mahiya, Kuldeep; Iftikhar, Khalid","Structures and pure near-infrared photophysics of erbium and ytterbium(iii) complexes incorporating fluorinated β-diketone and neutral unidentate ligands","New Journal of Chemistry","2020","44","30","13172","13181","10.1039/D0NJ02059A","","","0.71073","MoKα","","0.0895","0.0432","","","0.091","0.1147","","","","","","1.055","","","","has coordinates,has disorder","257829","2020-10-21","18:00:00",""
"7059761","12.054","0.005","19.151","0.005","19.508","0.005","90","","102.534","0.005","90","","4396","2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H21 F18 La N6 O6 -","- C36 H21 F18 La N6 O6 -","- C144 H84 F72 La4 N24 O24 -","4","1","","Ahmed, Zubair; Mahiya, Kuldeep; Iftikhar, Khalid","Structures and pure near-infrared photophysics of erbium and ytterbium(iii) complexes incorporating fluorinated β-diketone and neutral unidentate ligands","New Journal of Chemistry","2020","44","30","13172","13181","10.1039/D0NJ02059A","","","0.71073","MoKα","","0.0459","0.0319","","","0.08","0.0867","","","","","","1.056","","","","has coordinates,has disorder","257829","2020-10-21","18:00:00",""
"7059762","9.797","0.004","15.252","0.006","16.948","0.007","75.387","0.007","73.275","0.007","85.17","0.007","2346.7","1.6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H29 N4 O8 Zn2 -","- C47 H29 N4 O8 Zn2 -","- C94 H58 N8 O16 Zn4 -","2","1","","Hu, Xiao-Li; Wang, Kang; Li, Xiao; Pan, Qing-Qing; Su, Zhong-Min","Two anthracene chromophore based metal‒organic frameworks for gas adsorption and promising nitro aromatic sensing","New Journal of Chemistry","2020","44","29","12496","12502","10.1039/D0NJ02753G","","x-ray","0.71073","MoKα","K-L~3~","0.1374","0.0765","","","0.1928","0.2153","","","","","","0.871","","","","has coordinates","257637","2020-10-21","18:00:00",""
"7059763","32.143","0.004","10.3824","0.001","32.772","0.004","90","","115.79","0.004","90","","9847","2","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H44 Cd2 N4 Na O12 -","- C74 H44 Cd2 N4 Na O12 -","- C296 H176 Cd8 N16 Na4 O48 -","4","0.5","","Hu, Xiao-Li; Wang, Kang; Li, Xiao; Pan, Qing-Qing; Su, Zhong-Min","Two anthracene chromophore based metal‒organic frameworks for gas adsorption and promising nitro aromatic sensing","New Journal of Chemistry","2020","44","29","12496","12502","10.1039/D0NJ02753G","","","0.71073","MoKα","","0.0985","0.0721","","","0.2016","0.219","","","","","","0.967","","","","has coordinates,has disorder","257637","2020-10-21","18:00:00",""
"7059764","7.691","0.0007","13.9407","0.0012","13.4635","0.0012","90","","93.39","0.003","90","","1441","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br N O5 -","- C15 H10 Br N O5 -","- C60 H40 Br4 N4 O20 -","4","1","","Feng, Juhua; Wang, Siyuan; Feng, Jinxiang; Li, Qiuju; Yue, Junping; Yue, Guizhou; Zou, Ping; Wang, Guangtu","Mild and efficient synthesis of trans-3-aryl-2-nitro-2,3-dihydrobenzofurans on water","New Journal of Chemistry","2020","44","28","11937","11940","10.1039/D0NJ00548G","","","0.71073","MoKα","","0.0745","0.0456","","","0.1196","0.1347","","","","","","1.043","","","","has coordinates","257638","2020-10-21","18:00:00",""
"7059765","20.621","0.0002","9.05593","0.00012","11.20988","0.00013","90","","96.0872","0.001","90","","2081.56","0.04","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Co N4 O12 -","- C16 H22 Co N4 O12 -","- C64 H88 Co4 N16 O48 -","4","0.5","","Parveen, Sheikdawood; Nguyen, Hung Huy; Premkumar, Thathan; Puschmann, Horst; Govindarajan, Subbiah","Nano spinel cobaltites and their catalytic and electrochemical properties: facile synthesis of metal (Co, Ni, and Zn) and mixed metal (Co‒Ni and Co‒Zn) complexes of Schiff bases prepared from α-ketoglutaric acid and ethyl carbazate","New Journal of Chemistry","2020","44","29","12729","12740","10.1039/D0NJ01016B","","x-ray","0.71073","MoKα","","0.0285","0.0266","","","0.0664","0.0675","","","","","","1.026","","","","has coordinates","257632","2020-10-21","18:00:00",""
"7059766","20.6603","0.0009","9.0466","0.0004","11.1969","0.0005","90","","96.23","0.004","90","","2080.4","0.16","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 N4 O12 Zn -","- C16 H22 N4 O12 Zn -","- C64 H88 N16 O48 Zn4 -","4","0.5","","Parveen, Sheikdawood; Nguyen, Hung Huy; Premkumar, Thathan; Puschmann, Horst; Govindarajan, Subbiah","Nano spinel cobaltites and their catalytic and electrochemical properties: facile synthesis of metal (Co, Ni, and Zn) and mixed metal (Co‒Ni and Co‒Zn) complexes of Schiff bases prepared from α-ketoglutaric acid and ethyl carbazate","New Journal of Chemistry","2020","44","29","12729","12740","10.1039/D0NJ01016B","","x-ray","0.71073","MoKα","","0.0271","0.0251","","","0.0609","0.0619","","","","","","1.078","","","","has coordinates","257632","2020-10-21","18:00:00",""
"7059767","20.6312","0.0008","9.2643","0.0004","11.2605","0.0004","90","","95.733","0.001","90","","2141.5","0.15","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Co0.66 N4 Ni0.33 O12 -","- C16 H22 Co0.666 N4 Ni0.334 O12 -","- C64 H88 Co2.664 N16 Ni1.336 O48 -","4","0.5","","Parveen, Sheikdawood; Nguyen, Hung Huy; Premkumar, Thathan; Puschmann, Horst; Govindarajan, Subbiah","Nano spinel cobaltites and their catalytic and electrochemical properties: facile synthesis of metal (Co, Ni, and Zn) and mixed metal (Co‒Ni and Co‒Zn) complexes of Schiff bases prepared from α-ketoglutaric acid and ethyl carbazate","New Journal of Chemistry","2020","44","29","12729","12740","10.1039/D0NJ01016B","","","0.71073","MoKα","","0.0316","0.0276","","","0.0676","0.0697","","","","","","1.047","","","","has coordinates","257632","2020-10-21","18:00:00",""
"7059768","20.6689","0.0005","9.2368","0.0003","11.2492","0.0003","90","","95.759","0.001","90","","2136.8","0.1","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Co0.66 N4 O12 Zn0.33 -","- C16 H22 Co0.666 N4 O12 Zn0.334 -","- C64 H88 Co2.664 N16 O48 Zn1.336 -","4","0.5","","Parveen, Sheikdawood; Nguyen, Hung Huy; Premkumar, Thathan; Puschmann, Horst; Govindarajan, Subbiah","Nano spinel cobaltites and their catalytic and electrochemical properties: facile synthesis of metal (Co, Ni, and Zn) and mixed metal (Co‒Ni and Co‒Zn) complexes of Schiff bases prepared from α-ketoglutaric acid and ethyl carbazate","New Journal of Chemistry","2020","44","29","12729","12740","10.1039/D0NJ01016B","","","0.71073","MoKα","","0.0346","0.0297","","","0.076","0.0783","","","","","","1.17","","","","has coordinates","257632","2020-10-21","18:00:00",""
"7059769","15.275","0.0012","5.8287","0.0004","12.9351","0.0009","90","","95.532","0.002","90","","1146.29","0.14","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 N2 O7 -","- C8 H14 N2 O7 -","- C32 H56 N8 O28 -","4","1","","Parveen, Sheikdawood; Nguyen, Hung Huy; Premkumar, Thathan; Puschmann, Horst; Govindarajan, Subbiah","Nano spinel cobaltites and their catalytic and electrochemical properties: facile synthesis of metal (Co, Ni, and Zn) and mixed metal (Co‒Ni and Co‒Zn) complexes of Schiff bases prepared from α-ketoglutaric acid and ethyl carbazate","New Journal of Chemistry","2020","44","29","12729","12740","10.1039/D0NJ01016B","","","0.71073","MoKα","","0.0566","0.0402","","","0.1015","0.1106","","","","","","1.035","","","","has coordinates","257632","2020-10-21","18:00:00",""
"7059770","6.6036","0.0013","12.158","0.002","12.513","0.002","90","","95.214","0.004","90","","1000.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H9 Cl3 N2 O Pt -","- C5 H9 Cl3 N2 O Pt -","- C20 H36 Cl12 N8 O4 Pt4 -","4","1","","Jääskeläinen, Sirpa; Koshevoy, Igor O.; Suvanto, Sari; Ryhänen, Tiina; Hirva, Pipsa","Vinylimidazole coordination modes to Pt and Au metal centers","New Journal of Chemistry","2020","44","29","12762","12770","10.1039/D0NJ00845A","","","0.71073","MoKα","","0.0221","0.0176","","","0.0372","0.0383","","","","","","1.037","","","","has coordinates","257636","2020-10-21","18:00:00",""
"7059771","10.5561","0.0004","8.2051","0.0003","12.2809","0.0005","90","","93.879","0.001","90","","1061.26","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H7 Au Cl4 N2 -","- C5 H7 Au Cl4 N2 -","- C20 H28 Au4 Cl16 N8 -","4","1","","Jääskeläinen, Sirpa; Koshevoy, Igor O.; Suvanto, Sari; Ryhänen, Tiina; Hirva, Pipsa","Vinylimidazole coordination modes to Pt and Au metal centers","New Journal of Chemistry","2020","44","29","12762","12770","10.1039/D0NJ00845A","","","0.71073","MoKα","","0.023","0.0148","","","0.0318","0.0349","","","","","","1.057","","","","has coordinates,has disorder","257636","2020-10-21","18:00:00",""
"7059772","7.8576","0.0003","8.7084","0.0003","9.563","0.0003","110.766","0.001","92.548","0.001","102.567","0.001","591.87","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H7 Au Br4 N2 -","- C5 H7 Au Br4 N2 -","- C10 H14 Au2 Br8 N4 -","2","1","","Jääskeläinen, Sirpa; Koshevoy, Igor O.; Suvanto, Sari; Ryhänen, Tiina; Hirva, Pipsa","Vinylimidazole coordination modes to Pt and Au metal centers","New Journal of Chemistry","2020","44","29","12762","12770","10.1039/D0NJ00845A","","","0.71073","MoKα","","0.0195","0.0158","","","0.0354","0.0365","","","","","","1.048","","","","has coordinates","257636","2020-10-21","18:00:00",""
"7059773","7.3655","0.0013","9.5071","0.0016","14.007","0.002","71.099","0.003","84.673","0.004","68.279","0.004","861.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 Au2 Br2 N4 -","- C10 H12 Au2 Br2 N4 -","- C20 H24 Au4 Br4 N8 -","2","1","","Jääskeläinen, Sirpa; Koshevoy, Igor O.; Suvanto, Sari; Ryhänen, Tiina; Hirva, Pipsa","Vinylimidazole coordination modes to Pt and Au metal centers","New Journal of Chemistry","2020","44","29","12762","12770","10.1039/D0NJ00845A","","","0.71073","MoKα","","0.0373","0.0323","","","0.0757","0.0777","","","","","","1.086","","","","has coordinates","257636","2020-10-21","18:00:00",""
"7059774","10.6316","0.0018","11.5548","0.0019","22.781","0.004","90","","92.441","0.01","90","","2796","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H64 Cu2 N12 O8 -","- C60 H64 Cu2 N12 O8 -","- C120 H128 Cu4 N24 O16 -","2","0.5","","Chakraborty, Moumita; Mondal, Antu; Chattopadhyay, Shyamal Kumar","Structural divergence in binuclear Cu(ii) pyridoxal Schiff base complexes probed by co-ligands: catecholase mimetic activity and sulphide ion sensing","New Journal of Chemistry","2020","44","30","12916","12925","10.1039/D0NJ00719F","","","0.71073","MoKα","","0.0685","0.0533","","","0.1358","0.1509","","","","","","0.962","","","","has coordinates","257828","2020-10-21","18:00:00",""
"7059775","9.1404","0.0012","9.9798","0.001","10.3571","0.0014","90.226","0.006","106.242","0.007","99.481","0.006","893.42","0.19","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cu2 N12 O6 -","- C34 H30 Cu2 N12 O6 -","- C34 H30 Cu2 N12 O6 -","1","0.5","","Chakraborty, Moumita; Mondal, Antu; Chattopadhyay, Shyamal Kumar","Structural divergence in binuclear Cu(ii) pyridoxal Schiff base complexes probed by co-ligands: catecholase mimetic activity and sulphide ion sensing","New Journal of Chemistry","2020","44","30","12916","12925","10.1039/D0NJ00719F","","","0.71073","MoKα","","0.0359","0.0341","","","0.1003","0.1029","","","","","","1.024","","","","has coordinates","257828","2020-10-21","18:00:00",""
"7059776","7.3934","0.0012","9.381","0.0017","14.16","0.003","97.782","0.015","99.514","0.012","107.237","0.01","907.2","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H38 Cu2 N8 O6 S2 -","- C34 H38 Cu2 N8 O6 S2 -","- C34 H38 Cu2 N8 O6 S2 -","1","0.5","","Chakraborty, Moumita; Mondal, Antu; Chattopadhyay, Shyamal Kumar","Structural divergence in binuclear Cu(ii) pyridoxal Schiff base complexes probed by co-ligands: catecholase mimetic activity and sulphide ion sensing","New Journal of Chemistry","2020","44","30","12916","12925","10.1039/D0NJ00719F","","","0.71073","MoKα","","0.0849","0.0671","","","0.1296","0.1364","","","","","","1.55","","","","has coordinates","257828","2020-10-21","18:00:00",""
"7059777","33.76","0.004","6.1009","0.0006","17.523","0.002","90","","118.99","0.004","90","","3156.9","0.6","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 N4 S2 Zn -","- C36 H26 N4 S2 Zn -","- C144 H104 N16 S8 Zn4 -","4","0.5","","Dutta, Basudeb; Dey, Sunanda; Pal, Kunal; Bera, Sambhunath; Naaz, Sanobar; Jana, Kuladip; Sinha, Chittaranjan; Mir, Mohammad Hedayetullah","Supramolecular assembly of a 4-(1-naphthylvinyl)pyridine-appended Zn(ii) coordination compound for the turn-on fluorescence sensing of trivalent metal ions (Fe3+, Al3+, and Cr3+) and cell imaging application","New Journal of Chemistry","2020","44","30","13163","13171","10.1039/D0NJ01608J","","","0.71073","MoKα","","0.0454","0.0333","","","0.086","0.0952","","","","","","1.04","","","","has coordinates","257825","2020-10-21","18:00:00",""
"7059778","8.0075","0.0011","17.5214","0.0017","27.658","0.004","90","","94.252","0.011","90","","3869.8","0.9","100","","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C40.67 H38 Br2 N3 O6.67 -","- C40.6664 H37.9868 Br2 N3 O6.6666 -","- C162.666 H151.947 Br8 N12 O26.6664 -","4","0.5","","David, Sylvain; Pilet, Guillaume; Berginc, Gérard; Andraud, Chantal; Maury, Olivier","Poly-halogenated aza-bodipy dyes with improved solubility as a versatile synthetic platform for the design of photonic materials","New Journal of Chemistry","2020","44","30","13125","13130","10.1039/D0NJ02631J","","","0.71069","MoKα","","0.0616","0.0616","","0.0917","0.0917","0.0902","","","","","","1.3822","","","","has coordinates","257826","2020-10-21","18:00:00",""
"7059779","9.4848","0.0013","11.075","0.0013","22.1993","0.0016","77.14","0.008","79.573","0.009","73.999","0.011","2167.5","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H57 Br2 N3 O2 -","- C50 H57 Br2 N3 O2 -","- C100 H114 Br4 N6 O4 -","2","1","","David, Sylvain; Pilet, Guillaume; Berginc, Gérard; Andraud, Chantal; Maury, Olivier","Poly-halogenated aza-bodipy dyes with improved solubility as a versatile synthetic platform for the design of photonic materials","New Journal of Chemistry","2020","44","30","13125","13130","10.1039/D0NJ02631J","","","0.71069","MoKα","","0.0773","0.0554","","0.063","0.0468","0.0434","","","","","","1.1691","","","","has coordinates","257826","2020-10-21","18:00:00",""
"7059780","13.8336","0.0011","14.4635","0.0011","15.3548","0.0012","66.622","0.002","71.512","0.002","85.747","0.003","2669.8","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 Cl2 N6 O6 -","- C24 H23 Cl2 N6 O6 -","- C96 H92 Cl8 N24 O24 -","4","2","","Pramanik, Samit; Manna, Saikat Kumar; Pathak, Sudipta; Mondal, Debasish; Pal, Kunal; Mukhopadhyay, Subrata","Chromogenic and fluorogenic “off–on–off” chemosensor for selective and sensitive detection of aluminum (Al3+) and bifluoride (HF2−) ions in solution and in living Hep G2 cells: synthesis, experimental and theoretical studies","New Journal of Chemistry","2020","44","31","13259","13265","10.1039/D0NJ02117B","","","0.71073","MoKα","","0.0765","0.0534","","","0.1636","0.1886","","","","","","1.11","","","","has coordinates","294326","2024-09-02","09:37:25",""
"7059781","30.8908","0.0012","9.66","0.0003","12.8697","0.0005","90","","90","","90","","3840.4","0.2","150","0.1","150","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C41 H41 Cl3 Fe N5 O3 S -","- C41 H41 Cl3 Fe N5 O3 S -","- C164 H164 Cl12 Fe4 N20 O12 S4 -","4","1","","Zhao, Mei; Shao, Guang-Kui; Guo, Yu-Shuang; Tang, Yan-Ling; Liu, Jian-Biao; Guo, Dian-Shun","A reaction-type receptor for the multi-feature detection of Hg2+ in water and living cells","New Journal of Chemistry","2020","44","29","12538","12545","10.1039/D0NJ01995J","","x-ray","1.54184","CuKα","","0.0864","0.0728","","","0.1875","0.2047","","","","","","1.029","","","","has coordinates","257635","2020-10-21","18:00:00",""
"7059782","10.2256","0.0006","10.6901","0.0007","20.4388","0.0014","97.5","0.005","91.855","0.005","90.003","0.005","2213.9","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","Ethyl (E)-3-[4'-(diphenylamino)-[1,1'-biphenyl]-4-yl]acrylate","","- C29 H25 N O2 -","- C29 H25 N O2 -","- C116 H100 N4 O8 -","4","4","","Paolino, Marco; Reale, Annalisa; Razzano, Vincenzo; Giorgi, Gianluca; Giuliani, Germano; Villafiorita-Monteleone, Francesca; Botta, Chiara; Coppola, Carmen; Sinicropi, Adalgisa; Cappelli, Andrea","Design, synthesis, structure, and photophysical features of highly emissive cinnamic derivatives","New Journal of Chemistry","2020","44","32","13644","13653","10.1039/D0NJ02429E","","x-ray","0.71073","MoKα","","0.0895","0.0771","","","0.1961","0.205","","","","","","1.025","","","","has coordinates","257681","2020-10-21","18:00:00",""
"7059783","9.0143","0.0002","9.4894","0.0002","23.3187","0.0005","90","","94.104","0.007","90","","1989.57","0.08","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ethyl (E)-3-[4-(9,9-dimethyl-9H-fluoren-2-yl)phenyl]acrylate","","- C26 H24 O2 -","- C26 H24 O2 -","- C104 H96 O8 -","4","1","","Paolino, Marco; Reale, Annalisa; Razzano, Vincenzo; Giorgi, Gianluca; Giuliani, Germano; Villafiorita-Monteleone, Francesca; Botta, Chiara; Coppola, Carmen; Sinicropi, Adalgisa; Cappelli, Andrea","Design, synthesis, structure, and photophysical features of highly emissive cinnamic derivatives","New Journal of Chemistry","2020","44","32","13644","13653","10.1039/D0NJ02429E","","x-ray","1.54187","CuKα","K-L~3~","0.0394","0.0345","","","0.0849","0.0879","","","","","","1.045","","","","has coordinates","295835","2024-11-08","15:48:26",""
"7059784","7.5617","0.0002","15.7974","0.0003","22.4261","0.0007","90","","91.725","0.003","90","","2677.7","0.12","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Cl Cu N5 O10 Se -","- C24 H16 Cl Cu N5 O3 Se -","- C96 H64 Cl4 Cu4 N20 O12 Se4 -","4","1","","Malček, Michal; Kožíšková, Júlia; Herich, Peter; Rapta, Peter; Stepanenko, Iryna; Arion, Vladimir B.","Formation of metal-radical species upon reduction of late transition metal complexes with heteroleptic ligands: an experimental and theoretical study","New Journal of Chemistry","2020","44","30","13195","13206","10.1039/D0NJ02447C","","","0.71073","MoKα","","0.0673","0.0482","","","0.1271","0.1371","","","","","","1.046","","","","has coordinates","257827","2020-10-21","18:00:00",""
"7059785","7.18143","0.00015","23.6904","0.0007","22.8941","0.0005","90","","94.7014","0.0017","90","","3881.89","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Co N8 O13 Se2 -","- C36 H24 Co N8 O6 Se2 -","- C144 H96 Co4 N32 O24 Se8 -","4","1","","Malček, Michal; Kožíšková, Júlia; Herich, Peter; Rapta, Peter; Stepanenko, Iryna; Arion, Vladimir B.","Formation of metal-radical species upon reduction of late transition metal complexes with heteroleptic ligands: an experimental and theoretical study","New Journal of Chemistry","2020","44","30","13195","13206","10.1039/D0NJ02447C","","","1.54186","CuKα","","0.1173","0.0488","","","0.0876","0.0981","","","","","","0.822","","","","has coordinates,has disorder","257827","2020-10-21","18:00:00",""
"7059786","7.35306","0.00019","23.685","0.0005","22.9755","0.0008","90","","93.681","0.003","90","","3993.09","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 N8 Ni O13 Se2 -","- C36 H24 N8 Ni O6 Se2 -","- C144 H96 N32 Ni4 O24 Se8 -","4","1","","Malček, Michal; Kožíšková, Júlia; Herich, Peter; Rapta, Peter; Stepanenko, Iryna; Arion, Vladimir B.","Formation of metal-radical species upon reduction of late transition metal complexes with heteroleptic ligands: an experimental and theoretical study","New Journal of Chemistry","2020","44","30","13195","13206","10.1039/D0NJ02447C","","","0.71073","MoKα","","0.0775","0.0469","","","0.1179","0.1308","","","","","","1.018","","","","has coordinates,has disorder","257827","2020-10-21","18:00:00",""
"7059787","9.1843","0.0005","14.6445","0.0008","12.5246","0.0007","90","","102.665","0.002","90","","1643.56","0.16","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O7 -","- C18 H18 N2 O7 -","- C72 H72 N8 O28 -","4","1","","Shaikh, Ahad; Ghosh, Milan; Mukherjee, Pallabi; Ghosh, Avijit; Molla, Rostam Ali; Ta, Sabyasachi; Das, Debasis","Amide‒imine conjugate involving gallic acid and naphthalene for nano-molar detection, enrichment and cancer cell imaging of La3+: studies on the catalytic activity of the La3+ complex","New Journal of Chemistry","2020","44","31","13501","13506","10.1039/D0NJ02415E","","","0.71073","MoKα","","0.0773","0.0444","","","0.0967","0.1126","","","","","","1.026","","","","has coordinates","257836","2020-10-21","18:00:00",""
"7059788","11.734","0.002","21.779","0.004","12.503","0.002","90","","104.189","0.002","90","","3097.7","0.9","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Co Mo4 N12 O16 -","- C14 H26 Co Mo4 N12 O16 -","- C56 H104 Co4 Mo16 N48 O64 -","4","1","","Chi, Jiaqi; Fan, Mingyue; Su, Zhongmin; Li, Xiao; Sun, Jing; Zhou, Chen; Hu, Xiaoli","Octamolybdate-based hybrid constructed by flexible bis-triazole ligands: synthesis, photocatalytic and electrochemical properties","New Journal of Chemistry","2020","44","32","13524","13528","10.1039/D0NJ00169D","","x-ray","0.71073","MoKα","K-L~3~","0.0302","0.0239","","","0.0536","0.0563","","","","","","1.052","","","","has coordinates,has disorder","257682","2020-10-21","18:00:00",""
"7059789","24.079","0.005","14.047","0.003","12.304","0.003","90","","105.83","0.03","90","","4003.8","1.7","113","","113","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H29 Cl2 N2 Ni O1.5 S2 -","- C14 H29 Cl2 N2 Ni O1.5 S2 -","- C112 H232 Cl16 N16 Ni8 O12 S16 -","8","1","","Song, Li-Cheng; Chen, Wei; Feng, Li","Two heterodinuclear NiFe-based sulfenate complexes mimicking an S-oxygenated intermediate of an O2-tolerant [NiFe]-H2ase: synthesis, structures, and reactivity","New Journal of Chemistry","2020","44","33","14015","14023","10.1039/D0NJ02586K","","","0.71073","MoKα","","0.0673","0.0568","","","0.1568","0.1656","","","","","","1.091","","","","has coordinates,has disorder","257705","2020-10-21","18:00:00",""
"7059790","6.422","0.0013","27.134","0.005","10.32","0.002","90","","97.03","0.03","90","","1784.8","0.6","113.15","","113.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H52 B2 F8 N4 Ni3 S4 -","- C26 H52 B2 F8 N4 Ni3 S4 -","- C52 H104 B4 F16 N8 Ni6 S8 -","2","0.5","","Song, Li-Cheng; Chen, Wei; Feng, Li","Two heterodinuclear NiFe-based sulfenate complexes mimicking an S-oxygenated intermediate of an O2-tolerant [NiFe]-H2ase: synthesis, structures, and reactivity","New Journal of Chemistry","2020","44","33","14015","14023","10.1039/D0NJ02586K","","","0.71073","MoKα","","0.1006","0.0858","","","0.1464","0.1537","","","","","","1.21","","","","has coordinates","257705","2020-10-21","18:00:00",""
"7059791","14.9746","0.0003","14.4363","0.0002","26.1448","0.0004","90","","96.359","0.002","90","","5617.15","0.16","117","20","117","20","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C17 H26 Fe N2 Ni O5 S2 -","- C17 H26 Fe N2 Ni O5 S2 -","- C136 H208 Fe8 N16 Ni8 O40 S16 -","8","1","","Song, Li-Cheng; Chen, Wei; Feng, Li","Two heterodinuclear NiFe-based sulfenate complexes mimicking an S-oxygenated intermediate of an O2-tolerant [NiFe]-H2ase: synthesis, structures, and reactivity","New Journal of Chemistry","2020","44","33","14015","14023","10.1039/D0NJ02586K","","","0.71073","MoKα","","0.0413","0.0326","","","0.0778","0.0831","","","","","","1.044","","","","has coordinates","257705","2020-10-21","18:00:00",""
"7059792","14.938","0.003","19.323","0.004","8.082","0.0016","90","","90","","90","","2332.8","0.8","113.15","","113.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13 H26 I4 N2 Ni S2 -","- C13 H26 I4 N2 Ni S2 -","- C52 H104 I16 N8 Ni4 S8 -","4","0.5","","Song, Li-Cheng; Chen, Wei; Feng, Li","Two heterodinuclear NiFe-based sulfenate complexes mimicking an S-oxygenated intermediate of an O2-tolerant [NiFe]-H2ase: synthesis, structures, and reactivity","New Journal of Chemistry","2020","44","33","14015","14023","10.1039/D0NJ02586K","","","0.71073","MoKα","","0.0446","0.0372","","","0.0769","0.0808","","","","","","1.17","","","","has coordinates","257705","2020-10-21","18:00:00",""
"7059793","12.423","0.003","12.854","0.003","14.255","0.003","83.97","0.03","89.15","0.03","74.77","0.03","2184","0.9","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C14.5 H29 Cl3 N2 Ni O2 S2 -","- C14.5 H29 Cl3 N2 Ni O2 S2 -","- C58 H116 Cl12 N8 Ni4 O8 S8 -","4","2","","Song, Li-Cheng; Chen, Wei; Feng, Li","Two heterodinuclear NiFe-based sulfenate complexes mimicking an S-oxygenated intermediate of an O2-tolerant [NiFe]-H2ase: synthesis, structures, and reactivity","New Journal of Chemistry","2020","44","33","14015","14023","10.1039/D0NJ02586K","","","0.71073","MoKα","","0.061","0.046","","","0.113","0.1224","","","","","","1.019","","","","has coordinates,has disorder","257705","2020-10-21","18:00:00",""
"7059794","4.1928","0.0002","8.2514","0.0004","11.4846","0.0006","84.065","0.002","89.98","0.002","76.69","0.002","384.47","0.03","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H6 Cu I N2 O -","- C5 H6 Cu I N2 O -","- C10 H12 Cu2 I2 N4 O2 -","2","1","","Xu, Chanchan; Lv, Le; Luo, Dawei; Liu, Wei","Synthesis, structure and photoluminescence properties of three copper(i) iodide based inorganic‒organic hybrid structures with pyrazine derivatives","New Journal of Chemistry","2020","44","33","14103","14107","10.1039/D0NJ02341H","","","0.71073","MoKα","","0.0311","0.0232","","","0.0591","0.0621","","","","","","1.049","","","","has coordinates","257706","2020-10-21","18:00:00",""
"7059795","4.2966","0.0002","17.8851","0.0009","13.0424","0.0007","90","","92.31","0.002","90","","1001.43","0.09","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Cu2 I2 N2 -","- C6 H8 Cu2 I2 N2 -","- C24 H32 Cu8 I8 N8 -","4","1","","Xu, Chanchan; Lv, Le; Luo, Dawei; Liu, Wei","Synthesis, structure and photoluminescence properties of three copper(i) iodide based inorganic‒organic hybrid structures with pyrazine derivatives","New Journal of Chemistry","2020","44","33","14103","14107","10.1039/D0NJ02341H","","","0.71073","MoKα","","0.0267","0.023","","","0.0538","0.0554","","","","","","1.102","","","","has coordinates","257706","2020-10-21","18:00:00",""
"7059796","7.749","0.0006","7.7769","0.0005","8.1453","0.0005","72.597","0.002","66.733","0.002","70.721","0.002","417.52","0.05","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Cu I N2 -","- C6 H8 Cu I N2 -","- C12 H16 Cu2 I2 N4 -","2","1","","Xu, Chanchan; Lv, Le; Luo, Dawei; Liu, Wei","Synthesis, structure and photoluminescence properties of three copper(i) iodide based inorganic‒organic hybrid structures with pyrazine derivatives","New Journal of Chemistry","2020","44","33","14103","14107","10.1039/D0NJ02341H","","","0.71073","MoKα","","0.035","0.0317","","","0.074","0.0763","","","","","","1.119","","","","has coordinates","257706","2020-10-21","18:00:00",""
"7059797","10.392","0.0006","10.2078","0.0006","14.5078","0.0009","90","","105.801","0.002","90","","1480.83","0.15","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H48 N2 O2 -","- C37 H48 N2 O2 -","- C74 H96 N4 O4 -","2","1","","Sviripa, Vitaliy M.; Fiandalo, Michael V.; Begley, Kristin L.; Wyrebek, Przemyslaw; Kril, Liliia M.; Balia, Andrii G.; Parkin, Sean R.; Subramanian, Vivekanandan; Chen, Xi; Williams, Alexander H.; Zhan, Chang-Guo; Liu, Chunming; Mohler, James L.; Watt, David S.","Pictet‒Spengler condensations using 4-(2-aminoethyl)coumarins","New Journal of Chemistry","2020","44","31","13415","13429","10.1039/D0NJ02664F","","","0.71073","MoKα","","0.0699","0.047","","","0.1063","0.1189","","","","","","1.033","","","","has coordinates,has disorder","257831","2020-10-21","18:00:00",""
"7059798","10.9189","0.001","31.935","0.002","12.9477","0.0015","90","","103.968","0.01","90","","4381.3","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4.68 H3.51 Cl0.1 Cu0.1 N0.39 O0.39 P0.2 -","- C4.68293 H3.5122 Cl0.097561 Cu0.097561 N0.390244 O0.390244 P0.195122 -","- C192 H144 Cl4 Cu4 N16 O16 P8 -","41","10.25","","Jin, Xin-Xin; Li, Tian; Shi, Dong-Po; Luo, Li-Juan; Su, Qian-Qian; Xiang, Jing; Xu, Hai-Bing; Leung, Chi-Fai; Zeng, Ming-Hua","Luminescent phosphine copper(i) complexes with various functionalized bipyridine ligands: synthesis, structures, photophysics and computational study","New Journal of Chemistry","2020","44","31","13393","13400","10.1039/C9NJ05887G","","","1.54178","CuKα","","0.1481","0.0834","","","0.2287","0.262","","","","","","1.045","","","","has coordinates,has disorder","257832","2020-10-21","18:00:00",""
"7059799","11.0935","0.0009","12.6712","0.0012","16.926","0.0012","90.048","0.007","101.514","0.006","100.446","0.007","2291","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H44 Cl Cu N2 O7 P2 -","- C48 H44 Cl Cu N2 O7 P2 -","- C96 H88 Cl2 Cu2 N4 O14 P4 -","2","1","","Jin, Xin-Xin; Li, Tian; Shi, Dong-Po; Luo, Li-Juan; Su, Qian-Qian; Xiang, Jing; Xu, Hai-Bing; Leung, Chi-Fai; Zeng, Ming-Hua","Luminescent phosphine copper(i) complexes with various functionalized bipyridine ligands: synthesis, structures, photophysics and computational study","New Journal of Chemistry","2020","44","31","13393","13400","10.1039/C9NJ05887G","","","1.54178","CuKα","","0.1273","0.0686","","","0.1477","0.1836","","","","","","0.992","","","","has coordinates","257832","2020-10-21","18:00:00",""
"7059800","25.2095","0.0006","11.1731","0.0003","31.1132","0.0007","90","","90.061","0.002","90","","8763.6","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 Cl Cu N4 O5 P2 -","- C48 H34 Cl Cu N4 O5 P2 -","- C384 H272 Cl8 Cu8 N32 O40 P16 -","8","1","","Jin, Xin-Xin; Li, Tian; Shi, Dong-Po; Luo, Li-Juan; Su, Qian-Qian; Xiang, Jing; Xu, Hai-Bing; Leung, Chi-Fai; Zeng, Ming-Hua","Luminescent phosphine copper(i) complexes with various functionalized bipyridine ligands: synthesis, structures, photophysics and computational study","New Journal of Chemistry","2020","44","31","13393","13400","10.1039/C9NJ05887G","","","1.54178","CuKα","","0.1061","0.0859","","","0.2555","0.2785","","","","","","1.03","","","","has coordinates,has disorder","257832","2020-10-21","18:00:00",""
"7059801","16.8448","0.0018","18.457","0.002","25.85","0.003","96.15","0.005","102.186","0.005","99.661","0.005","7659.2","1.5","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C204 H182 Cl8 F24 N8 O40 Rh8 S8 -","- C204 H182 Cl8 F24 N8 O40 Rh8 S8 -","- C204 H182 Cl8 F24 N8 O40 Rh8 S8 -","1","0.5","","Yu, Wei-Bin; Qiu, Feng-Yi; Xin, Zhi-Feng; Sun, Po","Hydrophobicity controls guest uptake in Rh8 metallacages","New Journal of Chemistry","2020","44","33","14075","14081","10.1039/D0NJ02529A","","","1.34138","GaKα","","0.1765","0.1288","","","0.259","0.2886","","","","","","1.027","","","","has coordinates","257702","2020-10-21","18:00:00",""
"7059802","9.7786","0.0003","16.9721","0.0004","14.4712","0.0004","90","","104.582","0.003","90","","2324.33","0.11","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis[2-(3-pyridinium)-2'-(2-hydroxynaphthyl)-(carbonylbis(hydrazin-2-yl-1-ylidenemethylylidene)] hexamolybdate dihydrate","","- C36 H36 Mo6 N10 O25 -","- C36 H36 Mo6 N10 O25 -","- C72 H72 Mo12 N20 O50 -","2","0.5","","Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta","Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides","New Journal of Chemistry","2020","44","31","13357","13367","10.1039/D0NJ03106B","","","0.71073","MoKα","","0.0468","0.0319","","","0.0661","0.0729","","","","","","1.036","","","","has coordinates","257835","2020-10-21","18:00:00",""
"7059803","20.1878","0.001","6.1088","0.0003","23.5694","0.0013","90","","90","","90","","2906.7","0.3","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-[(E)-[(1-hydroxyphenyl-2-yl)methylidene]amino]-1-[(E)-[(pyridin-3-yl)methylidene]amino]urea","","- C14 H13 N5 O2 -","- C14 H13 N5 O2 -","- C112 H104 N40 O16 -","8","2","","Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta","Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides","New Journal of Chemistry","2020","44","31","13357","13367","10.1039/D0NJ03106B","","","0.71073","MoKα","","0.1194","0.0638","","","0.088","0.1016","","","","","","1.046","","","","has coordinates","257835","2020-10-21","18:00:00",""
"7059804","9.1525","0.0005","17.7564","0.0007","13.2831","0.0009","90","","106.419","0.007","90","","2070.7","0.2","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis[2-(4-pyridinium)-2'-(2-hydroxyphenyl)-(carbonylbis(hydrazin-2-yl-1-ylidenemethylylidene)] hexamolybdate","","- C28 H28 Mo6 N10 O23 -","- C28 H28 Mo6 N10 O23 -","- C56 H56 Mo12 N20 O46 -","2","0.5","","Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta","Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides","New Journal of Chemistry","2020","44","31","13357","13367","10.1039/D0NJ03106B","","x-ray","0.71073","MoKα","","0.0629","0.0393","","","0.0737","0.0839","","","","","","1.056","","","","has coordinates","257835","2020-10-21","18:00:00",""
"7059805","6.3767","0.0006","7.7407","0.0007","30.099","0.003","90","","93.079","0.008","90","","1483.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[(E)-[(1-hydroxyphenyl-2-yl)methylidene]amino]-1-[(E)-[(pyridin-3-yl)methylidene]amino]urea hydrate","","- C14 H15 N5 O3 -","- C14 H15 N5 O3 -","- C56 H60 N20 O12 -","4","1","","Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta","Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides","New Journal of Chemistry","2020","44","31","13357","13367","10.1039/D0NJ03106B","","x-ray","0.71073","MoKα","","0.216","0.0716","","","0.0967","0.132","","","","","","0.968","","","","has coordinates","257835","2020-10-21","18:00:00",""
"7059806","9.2562","0.0009","12.8021","0.0009","30.334","0.003","90","","95.858","0.009","90","","3575.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-[(E)-[(1-hydroxynapthalen-2-yl)methylidene]amino]-1-[(E)-[(pyridin-3-yl)methylidene]amino]urea hemimethanol solvate","","- C18.5 H17 N5 O2.5 -","- C18.5 H17 N5 O2.5 -","- C148 H136 N40 O20 -","8","2","","Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta","Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides","New Journal of Chemistry","2020","44","31","13357","13367","10.1039/D0NJ03106B","","","0.71073","MoKα","","0.2451","0.0789","","","0.1524","0.2161","","","","","","0.915","","","","has coordinates","292638","2024-06-28","09:33:35",""
"7059807","8.4843","0.0007","12.7276","0.0008","31.583","0.002","90","","92.519","0.007","90","","3407.2","0.4","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-[(E)-[(1-hydroxynapthalen-2-yl)methylidene]amino]-1-[(E)-[(pyridin-3-yl)methylidene]amino]urea hemihydrate","","- C18 H16 N5 O2.5 -","- C18 H16 N5 O2.5 -","- C144 H128 N40 O20 -","8","2","","Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta","Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides","New Journal of Chemistry","2020","44","31","13357","13367","10.1039/D0NJ03106B","","","0.71073","MoKα","","0.1462","0.0654","","","0.0964","0.1219","","","","","","0.983","","","","has coordinates","292638","2024-06-28","09:33:35",""
"7059808","45.012","0.007","11.4125","0.0005","21.787","0.004","90","","134.52","0.03","90","","7980","5","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(mu-N''-(2-oxynaphthylidene)-N'''-(3-pyridinium)carbonohydrazido)(N-acetonitrile)-dioxomolybdenum(vi) hexamolybdate acetonitrile solvate","","- C24 H24 Mo7 N8 O23 -","- C24 H24 Mo7 N8 O23 -","- C192 H192 Mo56 N64 O184 -","8","1","","Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta","Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides","New Journal of Chemistry","2020","44","31","13357","13367","10.1039/D0NJ03106B","","x-ray","0.71073","MoKα","","0.1178","0.0717","","","0.1088","0.1216","","","","","","1.103","","","","has coordinates","257835","2020-10-21","18:00:00",""
"7059809","7.7355","0.0005","9.1187","0.0005","9.7039","0.0005","93.758","0.005","93.79","0.005","92.877","0.005","680.5","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-[(E)-[(1-hydroxyphenyl-2-yl)methylidene]amino]-1-[(E)-[(pyridin-4-yl)methylidene]amino]urea","","- C14 H13 N5 O2 -","- C14 H13 N5 O2 -","- C28 H26 N10 O4 -","2","1","","Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta","Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides","New Journal of Chemistry","2020","44","31","13357","13367","10.1039/D0NJ03106B","","x-ray","0.71073","MoKα","","0.1506","0.0625","","","0.1273","0.1634","","","","","","1.012","","","","has coordinates","257835","2020-10-21","18:00:00",""
"7059810","11.3525","0.0009","13.6312","0.0008","12.5586","0.0008","90","","116.102","0.009","90","","1745.2","0.2","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","bis((mu-N''-(2-oxybenzylidene)-N'''-(3-pyridyl)carbonohydrazido))-tetraoxo-di-molybdenum(vi) acetonitrile solvate","","- C32 H28 Mo2 N12 O8 -","- C32 H28 Mo2 N12 O8 -","- C64 H56 Mo4 N24 O16 -","2","1","","Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta","Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides","New Journal of Chemistry","2020","44","31","13357","13367","10.1039/D0NJ03106B","","x-ray","0.71073","MoKα","","0.1846","0.0793","","","0.0857","0.1123","","","","","","0.954","","","","has coordinates","257835","2020-10-21","18:00:00",""
"7059811","7.7443","0.0003","19.3301","0.0006","11.377","0.0003","90","","91.632","0.003","90","","1702.42","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(mu-N''-(2-oxybenzylidene)-N'''-(3-pyridyl)carbonohydrazido)(O-methanol)-dioxomolybdenum(vi)","","- C15 H15 Mo N5 O5 -","- C15 H15 Mo N5 O5 -","- C60 H60 Mo4 N20 O20 -","4","1","","Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta","Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides","New Journal of Chemistry","2020","44","31","13357","13367","10.1039/D0NJ03106B","","","0.71073","MoKα","","0.092","0.0458","","","0.0846","0.0983","","","","","","0.994","","","","has coordinates","257835","2020-10-21","18:00:00",""
"7059812","9.3887","0.0003","17.2816","0.0005","14.7114","0.0006","90","","105.236","0.004","90","","2303.05","0.14","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis[2-(4-pyridinium)-2'-(2-hydroxynaphthyl)-(carbonylbis(hydrazin-2-yl-1-ylidenemethylylidene)] hexamolybdate","","- C36 H32 Mo6 N10 O23 -","- C36 H32 Mo6 N10 O23 -","- C72 H64 Mo12 N20 O46 -","2","0.5","","Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta","Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides","New Journal of Chemistry","2020","44","31","13357","13367","10.1039/D0NJ03106B","","x-ray","0.71073","MoKα","","0.092","0.0476","","","0.0852","0.1005","","","","","","1.042","","","","has coordinates","257835","2020-10-21","18:00:00",""
"7059813","11.1124","0.0005","5.2113","0.0002","13.3792","0.0006","90","","93.648","0.002","90","","773.22","0.06","273.15","","273.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","4-hydroxy-1,4-bis(4-methoxyphenyl)butan-1-one","","- C18 H20 O4 -","- C18 H20 O4 -","- C36 H40 O8 -","2","1","","Jiménez-Cruz, Juan C.; Guzmán-Mejía, Ramón; Juaristi, Eusebio; Sánchez-Antonio, Omar; García-Revilla, Marco A.; González-Campos, J. Betzabe; Aviña-Verduzco, Judit","Preparation of aromatic γ-hydroxyketones by means of Heck coupling of aryl halides and 2,3-dihydrofuran, catalyzed by a palladium(ii) glycine complex under microwave irradiation","New Journal of Chemistry","2020","44","31","13382","13392","10.1039/D0NJ02630A","","x-ray","1.54178","CuKα","","0.0584","0.0511","","","0.1337","0.1434","","","","","","1.069","","","","has coordinates","257830","2020-10-21","18:00:00",""
"7059814","9.0537","0.0003","12.166","0.0004","5.4933","0.0002","90","","96.599","0.001","90","","601.06","0.04","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","GliPdCl2","Trans-dichlorobis(2-methoxy-2-oxoethyl)azanidepalladium(II)","","- C6 H14 Cl2 N2 O4 Pd -","- C6 H14 Cl2 N2 O4 Pd -","- C12 H28 Cl4 N4 O8 Pd2 -","2","0.5","","Jiménez-Cruz, Juan C.; Guzmán-Mejía, Ramón; Juaristi, Eusebio; Sánchez-Antonio, Omar; García-Revilla, Marco A.; González-Campos, J. Betzabe; Aviña-Verduzco, Judit","Preparation of aromatic γ-hydroxyketones by means of Heck coupling of aryl halides and 2,3-dihydrofuran, catalyzed by a palladium(ii) glycine complex under microwave irradiation","New Journal of Chemistry","2020","44","31","13382","13392","10.1039/D0NJ02630A","","","0.71073","MoKα","","0.0309","0.0247","","","0.0505","0.0532","","","","","","1.121","","","","has coordinates","257830","2020-10-21","18:00:00",""
"7059815","14.53519","0.00015","11.48172","0.00011","8.90846","0.00008","90","","99.0238","0.0009","90","","1468.32","0.02","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Dy N O12 -","- C10 H14 Dy N O12 -","- C40 H56 Dy4 N4 O48 -","4","1","","Černák, Juraj; Harčárová, Katarína; Falvello, Larry R.; Dlháň, Ľubor; Titiš, Ján; Boča, Roman","Field induced slow magnetic relaxation in a zig-zag chain-like Dy(iii) complex with the ligand o-phenylenedioxydiacetato","New Journal of Chemistry","2020","44","31","13458","13465","10.1039/D0NJ02276D","","x-ray","0.71073","MoKα","","0.0194","0.0179","","","0.0435","0.044","","","","","","1.079","","","","has coordinates","257833","2020-10-21","18:00:00",""
"7059816","17.0815","0.0005","14.5577","0.0004","25.658","0.0007","90","","92.869","0.007","90","","6372.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H55 Cl3 Cu3 N12 O16 -","- C64 H55 Cl3 Cu3 N12 O16 -","- C256 H220 Cl12 Cu12 N48 O64 -","4","1","","Gopalakrishnan, Mohan; Krittametaporn, Nuttaporn; Yoshinari, Nobuto; Konno, Takumi; Sangtrirutnugul, Preeyanuch","Anion-templated assembly of multinuclear copper(ii)‒triazole complexes","New Journal of Chemistry","2020","44","32","13764","13770","10.1039/D0NJ02832K","","","0.4128","synchrotron","","0.061","0.0442","","","0.1064","0.1147","","","","","","1.022","","","","has coordinates,has disorder","257684","2020-10-21","18:00:00",""
"7059817","23.36997","0.00013","23.36997","0.00013","23.36997","0.00013","90","","90","","90","","12763.6","0.12","100","2","100","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C126 H102 Cu6 F18 N24 O6 Si3 -","- C126 H102 Cu6 F18 N24 O6 Si3 -","- C504 H408 Cu24 F72 N96 O24 Si12 -","4","0.166667","","Gopalakrishnan, Mohan; Krittametaporn, Nuttaporn; Yoshinari, Nobuto; Konno, Takumi; Sangtrirutnugul, Preeyanuch","Anion-templated assembly of multinuclear copper(ii)‒triazole complexes","New Journal of Chemistry","2020","44","32","13764","13770","10.1039/D0NJ02832K","","x-ray","0.4115","synchrotron","","0.07","0.046","","","0.0985","0.105","","","","","","1.053","","","","has coordinates","257684","2020-10-21","18:00:00",""
"7059818","11.3758","0.0008","20.6667","0.0011","18.5033","0.001","90","","95.408","0.006","90","","4330.8","0.5","132","4","132","4","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H120 Cl3 Cu8 Er N16 O43 -","- C33 H120 Cl3 Cu8 Er N16 O43 -","- C66 H240 Cl6 Cu16 Er2 N32 O86 -","2","1","","Chang, Wen-Wen; Yang, Hua; Tian, Hai-Quan; Li, Da-Cheng; Dou, Jian-Min","3d‒4f Metallacrown complexes with a new sandwich core: synthesis, structures and single molecule magnet behavior","New Journal of Chemistry","2020","44","33","14145","14150","10.1039/D0NJ00292E","","","1.54178","CuKα","","0.1326","0.1126","","","0.3232","0.3464","","","","","","1.28","","","","has coordinates,has disorder","257703","2020-10-21","18:00:00",""
"7059819","11.3776","0.0003","20.663","0.0006","18.5","0.0005","90","","95.659","0.003","90","","4328.1","0.2","130","11","130","11","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H120 Cl3 Cu8 N16 O43 Yb -","- C33 H120 Cl3 Cu8 N16 O43 Yb -","- C66 H240 Cl6 Cu16 N32 O86 Yb2 -","2","1","","Chang, Wen-Wen; Yang, Hua; Tian, Hai-Quan; Li, Da-Cheng; Dou, Jian-Min","3d‒4f Metallacrown complexes with a new sandwich core: synthesis, structures and single molecule magnet behavior","New Journal of Chemistry","2020","44","33","14145","14150","10.1039/D0NJ00292E","","","1.54178","CuKα","","0.1218","0.1161","","","0.2948","0.3049","","","","","","1.397","","","","has coordinates,has disorder","257703","2020-10-21","18:00:00",""
"7059820","4.893","0.001","10.17","0.002","18.638","0.004","90","","91.05","0.03","90","","927.3","0.3","220","2","220","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 N6 -","- C20 H28 N6 -","- C40 H56 N12 -","2","0.5","","Nagarasu, Palaniyappan; Kundu, Anu; Pitchaimani, Jayaraman; Anthony, Savarimuthu Philip; Moon, Dohyun; Madhu, Vedichi","Structure controlled solvatochromism and halochromic fluorescence switching of 2,2′-bipyridine based donor‒acceptor derivatives","New Journal of Chemistry","2020","44","34","14421","14428","10.1039/D0NJ02560G","","","0.63","synchrotron","","0.0542","0.0492","","","0.1444","0.1481","","","","","","1.107","","","","has coordinates","257879","2020-10-21","18:00:00",""
"7059821","7.075","0.0014","7.303","0.0015","14.865","0.003","90","","96.04","0.03","90","","763.8","0.3","220","2","220","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N4 -","- C18 H22 N4 -","- C36 H44 N8 -","2","0.5","","Nagarasu, Palaniyappan; Kundu, Anu; Pitchaimani, Jayaraman; Anthony, Savarimuthu Philip; Moon, Dohyun; Madhu, Vedichi","Structure controlled solvatochromism and halochromic fluorescence switching of 2,2′-bipyridine based donor‒acceptor derivatives","New Journal of Chemistry","2020","44","34","14421","14428","10.1039/D0NJ02560G","","","0.63","synchrotron","","0.0501","0.0465","","","0.1369","0.1418","","","","","","1.072","","","","has coordinates","257879","2020-10-21","18:00:00",""
"7059822","7.18","0.0014","14.821","0.003","19.057","0.004","90","","98.31","0.03","90","","2006.7","0.7","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 F6 N4 O2 P -","- C18 H23 F6 N4 O2 P -","- C72 H92 F24 N16 O8 P4 -","4","1","","Nagarasu, Palaniyappan; Kundu, Anu; Pitchaimani, Jayaraman; Anthony, Savarimuthu Philip; Moon, Dohyun; Madhu, Vedichi","Structure controlled solvatochromism and halochromic fluorescence switching of 2,2′-bipyridine based donor‒acceptor derivatives","New Journal of Chemistry","2020","44","34","14421","14428","10.1039/D0NJ02560G","","","0.63","synchrotron","","0.151","0.1179","","","0.3022","0.3195","","","","","","1.059","","","","has coordinates","257879","2020-10-21","18:00:00",""
"7059823","14.798","0.003","15.401","0.003","16.328","0.003","107.44","0.03","116","0.03","91.19","0.03","3140.2","1.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H74 Cu3 N10 O7 -","- C70 H74 Cu3 N10 O7 -","- C140 H148 Cu6 N20 O14 -","2","1","","Bacher, Felix; Isaac, James A.; Philouze, Christian; Flot, David; Thibon-Pourret, Aurore; Belle, Catherine","Synthesis of unsymmetrical 1,8-naphthyridine-based ligands for the assembly of tri-and tetra-nuclear copper(ii) complexes","New Journal of Chemistry","2020","44","39","16713","16720","10.1039/D0NJ02776F","","x-ray","0.729","synchrotron","","0.1766","0.1296","","","0.3859","0.4096","","","","","","1.375","","","","has coordinates,has disorder","258908","2020-11-06","12:45:22",""
"7059824","22.475","0.005","12.394","0.003","22.723","0.005","90","","91.06","0.03","90","","6329","3","200","","200","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H54 Cu4 F6 N12 O14 S2 -","- C62 H54 Cu4 F6 N12 O14 S2 -","- C248 H216 Cu16 F24 N48 O56 S8 -","4","0.5","","Bacher, Felix; Isaac, James A.; Philouze, Christian; Flot, David; Thibon-Pourret, Aurore; Belle, Catherine","Synthesis of unsymmetrical 1,8-naphthyridine-based ligands for the assembly of tri-and tetra-nuclear copper(ii) complexes","New Journal of Chemistry","2020","44","39","16713","16720","10.1039/D0NJ02776F","","x-ray","0.71073","MoKα","","0.0817","0.056","","","0.1249","0.1401","","","","","","1.087","","","","has coordinates,has disorder","258908","2020-11-06","12:45:23",""
"7059825","22.949","0.005","11.893","0.002","22.443","0.005","90","","90.65","0.03","90","","6125","2","200","","200","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H46 Cu4 F6 N12 O12 S2 -","- C60 H46 Cu4 F6 N12 O12 S2 -","- C240 H184 Cu16 F24 N48 O48 S8 -","4","0.5","","Bacher, Felix; Isaac, James A.; Philouze, Christian; Flot, David; Thibon-Pourret, Aurore; Belle, Catherine","Synthesis of unsymmetrical 1,8-naphthyridine-based ligands for the assembly of tri-and tetra-nuclear copper(ii) complexes","New Journal of Chemistry","2020","44","39","16713","16720","10.1039/D0NJ02776F","","x-ray","0.71073","MoKα","","0.0556","0.0422","","","0.1083","0.1192","","","","","","1.111","","","","has coordinates,has disorder","258908","2020-11-06","12:45:23",""
"7059826","13.1174","0.0016","21.497","0.003","18.729","0.003","90","","90.249","0.006","90","","5281.2","1.3","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C106 H148 Cl4 O8 S4 -","- C106 H148 Cl4 O8 S4 -","- C212 H296 Cl8 O16 S8 -","2","1","","Kortus, D.; Kundrát, O.; Tlustý, M.; Čejka, J.; Dvořáková, H.; Lhoták, P.","Inherent chirality through a simple dialkylation of 2,14-dithiacalix[4]arene","New Journal of Chemistry","2020","44","34","14496","14504","10.1039/D0NJ03468A","","","1.54178","CuKα","","0.0604","0.0582","","0.1448","0.1417","0.1448","","","","","","1.0098","","","","has coordinates,has disorder","257886","2020-10-21","18:00:00",""
"7059827","12.5461","0.0007","14.8294","0.0007","13.8774","0.0008","90","","100.353","0.002","90","","2539.9","0.2","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H68 Cl4 O4 S2 -","- C50 H68 Cl4 O4 S2 -","- C100 H136 Cl8 O8 S4 -","2","0.5","","Kortus, D.; Kundrát, O.; Tlustý, M.; Čejka, J.; Dvořáková, H.; Lhoták, P.","Inherent chirality through a simple dialkylation of 2,14-dithiacalix[4]arene","New Journal of Chemistry","2020","44","34","14496","14504","10.1039/D0NJ03468A","","","0.71073","MoKα","","0.0611","0.0518","","0.1283","0.1159","0.1283","","","","","","0.939","","","","has coordinates,has disorder","257886","2020-10-21","18:00:00",""
"7059828","13.1733","0.0013","13.5456","0.0012","19.6259","0.0017","73.045","0.002","86.981","0.003","62.585","0.003","2959.9","0.5","180","","180","","","","","","","","","5","P 1","P 1","1","","","","- C63 H82 Cl2 O4 S2 -","- C63 H82.0015 Cl2 O4 S2 -","- C126 H164.003 Cl4 O8 S4 -","2","2","","Kortus, D.; Kundrát, O.; Tlustý, M.; Čejka, J.; Dvořáková, H.; Lhoták, P.","Inherent chirality through a simple dialkylation of 2,14-dithiacalix[4]arene","New Journal of Chemistry","2020","44","34","14496","14504","10.1039/D0NJ03468A","","","0.71073","MoKα","","0.063","0.0439","","0.1068","0.0956","0.1057","","","","","","1.0035","","","","has coordinates,has disorder","257886","2020-10-21","18:00:00",""
"7059829","33.6924","0.001","13.3613","0.0004","35.6078","0.0011","90","","114.305","0.001","90","","14609","0.8","180","","180","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48.67 H65.33 Cl1.33 O4 S2 -","- C48.6667 H65.3333 Cl1.33333 O4 S2 -","- C584 H784 Cl16 O48 S24 -","12","3","","Kortus, D.; Kundrát, O.; Tlustý, M.; Čejka, J.; Dvořáková, H.; Lhoták, P.","Inherent chirality through a simple dialkylation of 2,14-dithiacalix[4]arene","New Journal of Chemistry","2020","44","34","14496","14504","10.1039/D0NJ03468A","","","1.5418","CuKα","","0.0471","0.0443","","0.1223","0.12","0.1223","","","","","","0.9643","","","","has coordinates,has disorder","257886","2020-10-21","18:00:00",""
"7059830","12.4732","0.0005","17.7256","0.0007","23.1634","0.001","90","","90","","90","","5121.3","0.4","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H54 Cd4 N14 O16 -","- C42 H54 Cd4 N14 O16 -","- C168 H216 Cd16 N56 O64 -","4","0.5","","Ghosh, Tanmoy Kumar; Jana, Sumanta; Jana, Subrata; Ghosh, Ashutosh","Tetra- and poly-nuclear Cd(ii) complexes of an N3O4 Schiff base ligand: crystal structures, electrical conductivity and photoswitching properties","New Journal of Chemistry","2020","44","34","14733","14743","10.1039/D0NJ03325A","","","0.71073","MoKα","","0.0355","0.0293","","","0.0726","0.0765","","","","","","1.289","","","","has coordinates","257877","2020-10-21","18:00:00",""
"7059831","10.57","0.002","17.255","0.004","17.545","0.004","72.062","0.003","72.882","0.003","72.85","0.003","2835.2","1.1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28.5 H29 Cd2 N3 O8.5 -","- C28.5 H29 Cd2 N3 O8.5 -","- C114 H116 Cd8 N12 O34 -","4","2","","Ghosh, Tanmoy Kumar; Jana, Sumanta; Jana, Subrata; Ghosh, Ashutosh","Tetra- and poly-nuclear Cd(ii) complexes of an N3O4 Schiff base ligand: crystal structures, electrical conductivity and photoswitching properties","New Journal of Chemistry","2020","44","34","14733","14743","10.1039/D0NJ03325A","","","0.71073","MoKα","","0.0566","0.0396","","","0.1091","0.1211","","","","","","1.011","","","","has coordinates,has disorder","257877","2020-10-21","18:00:00",""
"7059832","11.2513","0.0003","15.5659","0.0004","29.1361","0.0008","90","","100.708","0.001","90","","5013.9","0.2","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H130 Co2 N8 Na2 O14 S4 -","- C94 H130 Co2 N8 Na2 O14 S4 -","- C188 H260 Co4 N16 Na4 O28 S8 -","2","0.5","","Oloyede, Hammed Olawale; Woods, Joseph Anthony Orighomisan; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","New cobalt(ii) coordination designs and the influence of varying chelate characters, ligand charges and incorporated group I metal ions on enzyme-like oxidative coupling activity","New Journal of Chemistry","2020","44","35","14849","14858","10.1039/D0NJ02347G","","","0.71073","MoKα","","0.0629","0.0536","","","0.122","0.1273","","","","","","1.147","","","","has coordinates","258925","2020-11-06","12:48:58",""
"7059833","14.3365","0.0003","14.3483","0.0004","15.5549","0.0004","83.193","0.001","70.741","0.001","68.091","0.001","2802.45","0.12","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H150 Co2 Cs2 N8 O20 S4 -","- C98 H150 Co2 Cs2 N8 O20 S4 -","- C98 H150 Co2 Cs2 N8 O20 S4 -","1","0.5","","Oloyede, Hammed Olawale; Woods, Joseph Anthony Orighomisan; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","New cobalt(ii) coordination designs and the influence of varying chelate characters, ligand charges and incorporated group I metal ions on enzyme-like oxidative coupling activity","New Journal of Chemistry","2020","44","35","14849","14858","10.1039/D0NJ02347G","","","0.71073","MoKα","","0.0896","0.0673","","","0.1333","0.1464","","","","","","1.041","","","","has coordinates,has disorder","258925","2020-11-06","12:48:59",""
"7059834","14.0537","0.0003","14.4047","0.0002","15.4849","0.0003","83.385","0.001","70.121","0.001","68.089","0.001","2734.77","0.09","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H130 Co2 K2 N8 O16 S4 -","- C92 H130 Co2 K2 N8 O16 S4 -","- C92 H130 Co2 K2 N8 O16 S4 -","1","0.5","","Oloyede, Hammed Olawale; Woods, Joseph Anthony Orighomisan; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","New cobalt(ii) coordination designs and the influence of varying chelate characters, ligand charges and incorporated group I metal ions on enzyme-like oxidative coupling activity","New Journal of Chemistry","2020","44","35","14849","14858","10.1039/D0NJ02347G","","","0.71073","MoKα","","0.0672","0.0592","","","0.1496","0.156","","","","","","1.107","","","","has coordinates,has disorder","258925","2020-11-06","12:48:59",""
"7059835","14.6152","0.0004","14.7527","0.0004","15.6217","0.0005","71.507","0.001","82.66","0.002","64.815","0.001","2890.56","0.15","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H124 Co2 N8 Na2 O14 S4 -","- C92 H124 Co2 N8 Na2 O14 S4 -","- C92 H124 Co2 N8 Na2 O14 S4 -","1","0.5","","Oloyede, Hammed Olawale; Woods, Joseph Anthony Orighomisan; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","New cobalt(ii) coordination designs and the influence of varying chelate characters, ligand charges and incorporated group I metal ions on enzyme-like oxidative coupling activity","New Journal of Chemistry","2020","44","35","14849","14858","10.1039/D0NJ02347G","","","0.71073","MoKα","","0.12","0.0901","","","0.218","0.2397","","","","","","1.039","","","","has coordinates,has disorder","258925","2020-11-06","12:48:59",""
"7059836","8.5233","0.0009","22.329","0.003","12.334","0.0012","90","","106.201","0.004","90","","2254.2","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-[2-(3-Phenyl-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one","","- C27 H18 Cl N3 O2 S -","- C27 H18 Cl N3 O2 S -","- C108 H72 Cl4 N12 O8 S4 -","4","1","","Madni, Murtaza; Ahmed, Muhammad Naeem; Hafeez, Muhammad; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Gil, Diego M.; Galmés, Bartomeu; Hameed, Shahid; Frontera, Antonio","Recurrent π‒π stacking motifs in three new 4,5-dihydropyrazolyl‒thiazole‒coumarin hybrids: X-ray characterization, Hirshfeld surface analysis and DFT calculations","New Journal of Chemistry","2020","44","34","14592","14603","10.1039/D0NJ02931A","","","0.71073","MoKα","","0.1126","0.0514","","","0.1055","0.1274","","","","","","1","","","","has coordinates","257885","2020-10-21","18:00:00",""
"7059837","10.287","0.001","10.938","0.002","11.3049","0.001","97.749","0.005","100.075","0.004","101.222","0.005","1209.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","3-[2-(3-(4-Chlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-1,3 -thiazol-4-yl]-2H-1-benzopyran-2-one","","- C28 H20 Cl N3 O2 S -","- C28 H20 Cl N3 O2 S -","- C56 H40 Cl2 N6 O4 S2 -","2","1","","Madni, Murtaza; Ahmed, Muhammad Naeem; Hafeez, Muhammad; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Gil, Diego M.; Galmés, Bartomeu; Hameed, Shahid; Frontera, Antonio","Recurrent π‒π stacking motifs in three new 4,5-dihydropyrazolyl‒thiazole‒coumarin hybrids: X-ray characterization, Hirshfeld surface analysis and DFT calculations","New Journal of Chemistry","2020","44","34","14592","14603","10.1039/D0NJ02931A","","","0.71073","MoKα","","0.1275","0.0527","","","0.1156","0.1447","","","","","","1.013","","","","has coordinates","257885","2020-10-21","18:00:00",""
"7059838","8.674","0.0006","11.8234","0.0008","12.407","0.0007","71.363","0.002","73.094","0.003","82.97","0.003","1152.98","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","3-[2-(3,5-Di(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]-2H -1-benzopyran-2-one","","- C27 H17 Cl2 N3 O2 S -","- C27 H17 Cl2 N3 O2 S -","- C54 H34 Cl4 N6 O4 S2 -","2","1","","Madni, Murtaza; Ahmed, Muhammad Naeem; Hafeez, Muhammad; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Gil, Diego M.; Galmés, Bartomeu; Hameed, Shahid; Frontera, Antonio","Recurrent π‒π stacking motifs in three new 4,5-dihydropyrazolyl‒thiazole‒coumarin hybrids: X-ray characterization, Hirshfeld surface analysis and DFT calculations","New Journal of Chemistry","2020","44","34","14592","14603","10.1039/D0NJ02931A","","","0.71073","MoKα","","0.0483","0.0392","","","0.101","0.1074","","","","","","1.045","","","","has coordinates","257885","2020-10-21","18:00:00",""
"7059839","9.4322","0.0019","12.154","0.002","13.144","0.003","87.26","0.03","80.96","0.03","82.24","0.03","1473.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Br3 I4 O3 Sb -","- C21 H18 Br3 I4 O3 Sb -","- C42 H36 Br6 I8 O6 Sb2 -","2","1","","Sharutin, Vladimir V.; Sharutina, Olga K.; Novikov, Alexander S.; Adonin, Sergey A.","Substituent-dependent reactivity of triarylantimony(iii) toward I2: isolation of [Ar3SbI]+ salt","New Journal of Chemistry","2020","44","34","14339","14342","10.1039/D0NJ02774J","","x-ray","0.71073","MoKα","","0.0539","0.0357","","","0.0844","0.0945","","","","","","1.018","","","","has coordinates","257881","2020-10-21","18:00:00",""
"7059840","15.213","0.003","15.643","0.003","9.2291","0.0018","90","","93.34","0.03","90","","2192.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 I2 Sb -","- C21 H21 I2 Sb -","- C84 H84 I8 Sb4 -","4","1","","Sharutin, Vladimir V.; Sharutina, Olga K.; Novikov, Alexander S.; Adonin, Sergey A.","Substituent-dependent reactivity of triarylantimony(iii) toward I2: isolation of [Ar3SbI]+ salt","New Journal of Chemistry","2020","44","34","14339","14342","10.1039/D0NJ02774J","","x-ray","0.71073","MoKα","","0.0418","0.0329","","","0.0657","0.0723","","","","","","1.176","","","","has coordinates","257881","2020-10-21","18:00:00",""
"7059841","8.669","0.0017","9.4881","0.0019","13.136","0.003","85.17","0.03","84.75","0.03","73.62","0.03","1030.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 F3 I2 Sb -","- C18 H12 F3 I2 Sb -","- C36 H24 F6 I4 Sb2 -","2","1","","Sharutin, Vladimir V.; Sharutina, Olga K.; Novikov, Alexander S.; Adonin, Sergey A.","Substituent-dependent reactivity of triarylantimony(iii) toward I2: isolation of [Ar3SbI]+ salt","New Journal of Chemistry","2020","44","34","14339","14342","10.1039/D0NJ02774J","","x-ray","0.71073","MoKα","","0.056","0.0388","","","0.1221","0.1544","","","","","","1.105","","","","has coordinates","257881","2020-10-21","18:00:00",""
"7059842","13.0818","0.0015","13.0818","0.0015","13.0818","0.0015","90","","90","","90","","2238.7","0.4","293","2","293","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C21 H21 Br0.6 I1.4 Sb -","- C21 H21 Br0.6 I1.4 Sb -","- C84 H84 Br2.4 I5.6 Sb4 -","4","0.166667","","Sharutin, Vladimir V.; Sharutina, Olga K.; Novikov, Alexander S.; Adonin, Sergey A.","Substituent-dependent reactivity of triarylantimony(iii) toward I2: isolation of [Ar3SbI]+ salt","New Journal of Chemistry","2020","44","34","14339","14342","10.1039/D0NJ02774J","","x-ray","0.71073","MoKα","","0.0285","0.0259","","","0.0622","0.0647","","","","","","1.164","","","","has coordinates","257881","2020-10-21","18:00:00",""
"7059843","16.1767","0.0009","8.7841","0.0005","21.7797","0.0012","90","","90","","90","","3094.8","0.3","293.15","","293.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H21 B F16 I2 N2 O2 -","- C24 H21 B F16 I2 N2 O2 -","- C96 H84 B4 F64 I8 N8 O8 -","4","1","","Maity, Apurba; Sarkar, Anirban; Bhaktha B. N, Shivakiran; Patra, Sanjib K.","Design and synthesis of perfluoroalkyl decorated BODIPY dye for random laser action in a microfluidic device","New Journal of Chemistry","2020","44","34","14650","14661","10.1039/D0NJ03108A","","x-ray","0.71073","MoKα","","0.0544","0.0478","","","0.1024","0.1054","","","","","","1.059","","","","has coordinates,has disorder","257883","2020-10-21","18:00:00",""
"7059844","12.1085","0.001","13.8332","0.0011","13.987","0.0011","119.059","0.002","101.268","0.002","94.837","0.002","1964","0.3","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H31 B F16 N2 O2 -","- C40 H31 B F16 N2 O2 -","- C80 H62 B2 F32 N4 O4 -","2","1","","Maity, Apurba; Sarkar, Anirban; Bhaktha B. N, Shivakiran; Patra, Sanjib K.","Design and synthesis of perfluoroalkyl decorated BODIPY dye for random laser action in a microfluidic device","New Journal of Chemistry","2020","44","34","14650","14661","10.1039/D0NJ03108A","","","0.71073","MoKα","","0.0755","0.055","","","0.138","0.1486","","","","","","1.0472","","","","has coordinates","257883","2020-10-21","18:00:00",""
"7059846","13.235","0.006","17.92","0.006","21.486","0.008","90","","100.161","0.017","90","","5016","3","151","2","150.73","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Mn3 N4 O16 -","- C48 H46 Mn3 N4 O16 -","- C192 H184 Mn12 N16 O64 -","4","0.5","","Bej, Sourav; Hazra, Abhijit; Das, Riyanka; Saha, Sourav Kr.; Corbella, Montserrat; Banerjee, Priyabrata","Exploratory studies of a multidimensionally talented simple MnII-based porous network: selective “turn-on” recognition @ cysteine over homocysteine with an indication of cystinuria and renal dysfunction","New Journal of Chemistry","2020","44","34","14712","14722","10.1039/D0NJ02265A","","","0.71073","MoKα","","0.1089","0.0799","","","0.2192","0.2588","","","","","","1.027","","","","has coordinates,has disorder","257880","2020-10-21","18:00:00",""
"7059847","9.9277","0.0008","10.5377","0.0006","15.22","0.002","73.411","0.009","81.291","0.009","89.961","0.006","1506.9","0.3","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C76 H64 O12 -","4","2","","Lokshin, Vladimir; Clavier, Hervé; Khodorkovsky, Vladimir","Spiro 1,3-indandiones: intramolecular photochemical reactions of carbonyl groups with carbon–carbon double bonds","New Journal of Chemistry","2020","44","34","14373","14378","10.1039/D0NJ02923H","","x-ray","0.71073","MoKα","","0.1019","0.0535","","","0.1289","0.1398","","","","","","0.99","","","","has coordinates","292638","2024-06-28","09:33:35",""
"7059848","13.5128","0.0002","5.73808","0.00008","26.7156","0.0005","90","","101.716","0.0016","90","","2028.31","0.06","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 O4 -","- C27 H20 O4 -","- C108 H80 O16 -","4","1","","Lokshin, Vladimir; Clavier, Hervé; Khodorkovsky, Vladimir","Spiro 1,3-indandiones: intramolecular photochemical reactions of carbonyl groups with carbon‒carbon double bonds","New Journal of Chemistry","2020","44","34","14373","14378","10.1039/D0NJ02923H","","x-ray","1.54184","CuKα","","0.0398","0.0371","","","0.0941","0.0969","","","","","","1.049","","","","has coordinates","257876","2020-10-21","18:00:00",""
"7059849","20.9397","0.001","5.4322","0.0002","19.3737","0.0011","90","","99.981","0.005","90","","2170.38","0.18","293","2","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 O4 -","- C28 H22 O4 -","- C112 H88 O16 -","4","1","","Lokshin, Vladimir; Clavier, Hervé; Khodorkovsky, Vladimir","Spiro 1,3-indandiones: intramolecular photochemical reactions of carbonyl groups with carbon‒carbon double bonds","New Journal of Chemistry","2020","44","34","14373","14378","10.1039/D0NJ02923H","","x-ray","0.71073","MoKα","","0.0725","0.0466","","","0.1011","0.1147","","","","","","1.063","","","","has coordinates","257876","2020-10-21","18:00:00",""
"7059850","20.7429","0.0009","19.0061","0.0005","11.4935","0.0002","90","","96.22","0.003","90","","4504.5","0.2","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H44 O8 -","- C56 H44 O8 -","- C224 H176 O32 -","4","1","","Lokshin, Vladimir; Clavier, Hervé; Khodorkovsky, Vladimir","Spiro 1,3-indandiones: intramolecular photochemical reactions of carbonyl groups with carbon‒carbon double bonds","New Journal of Chemistry","2020","44","34","14373","14378","10.1039/D0NJ02923H","","x-ray","1.54184","CuKα","","0.1024","0.0653","","","0.1615","0.1877","","","","","","1.013","","","","has coordinates,has disorder","257876","2020-10-21","18:00:00",""
"7059851","7.4776","0.0001","10.6395","0.0001","14.0595","0.0002","90","","97.829","0.001","90","","1108.12","0.02","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O2 -","- C15 H12 O2 -","- C60 H48 O8 -","4","1","","Lokshin, Vladimir; Clavier, Hervé; Khodorkovsky, Vladimir","Spiro 1,3-indandiones: intramolecular photochemical reactions of carbonyl groups with carbon‒carbon double bonds","New Journal of Chemistry","2020","44","34","14373","14378","10.1039/D0NJ02923H","","x-ray","1.54184","CuKα","","0.0526","0.0512","","","0.1288","0.1302","","","","","","1.163","","","","has coordinates","257876","2020-10-21","18:00:00",""
"7059852","14.302","0.004","15.362","0.005","27.872","0.009","74.68","0.03","84.79","0.03","66.28","0.03","5406","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C131.2 H108.8 K N5 O13 Zn3 -","- C131.2 H108.8 K N5 O13 Zn3 -","- C262.4 H217.6 K2 N10 O26 Zn6 -","2","1","","Petrus, Rafał; Utko, Józef; Sobota, Piotr","Structural analysis and catalytic activity of tetranuclear metal carboxylate clusters with a [KZn3(μ3-OH)(OOCCPh3)6] or [Zn4(μ4-O)(OOCCPh3)6] central motif","New Journal of Chemistry","2020","44","32","13771","13780","10.1039/D0NJ02540B","","","0.71073","MoKα","","0.0477","0.0394","","","0.1139","0.1171","","","","","","1.103","","","","has coordinates,has disorder","257683","2020-10-21","18:00:00",""
"7059853","14.301","0.004","15.348","0.004","27.869","0.008","74.64","0.03","84.79","0.03","66.31","0.03","5401","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C130.42 H107.6 K0.92 N4.58 O13 Zn3.08 -","- C130.42 H107.601 K0.9208 N4.58 O13 Zn3.0792 -","- C260.84 H215.202 K1.8416 N9.16 O26 Zn6.1584 -","2","1","","Petrus, Rafał; Utko, Józef; Sobota, Piotr","Structural analysis and catalytic activity of tetranuclear metal carboxylate clusters with a [KZn3(μ3-OH)(OOCCPh3)6] or [Zn4(μ4-O)(OOCCPh3)6] central motif","New Journal of Chemistry","2020","44","32","13771","13780","10.1039/D0NJ02540B","","","0.71073","MoKα","","0.0515","0.0404","","","0.1046","0.1112","","","","","","1.037","","","","has coordinates,has disorder","257683","2020-10-21","18:00:00",""
"7059854","13.61","0.003","15.338","0.004","29.649","0.008","92.1","0.03","97.87","0.03","112.25","0.03","5648","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C134 H111 N7 O13 Zn4 -","- C134 H111 N7 O13 Zn4 -","- C268 H222 N14 O26 Zn8 -","2","1","","Petrus, Rafał; Utko, Józef; Sobota, Piotr","Structural analysis and catalytic activity of tetranuclear metal carboxylate clusters with a [KZn3(μ3-OH)(OOCCPh3)6] or [Zn4(μ4-O)(OOCCPh3)6] central motif","New Journal of Chemistry","2020","44","32","13771","13780","10.1039/D0NJ02540B","","","0.71073","MoKα","","0.0998","0.0539","","","0.1167","0.1279","","","","","","0.927","","","","has coordinates,has disorder","257683","2020-10-21","18:00:00",""
"7059855","8.9801","0.0011","10.0922","0.0012","14.8274","0.0019","90","","90","","90","","1343.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H22 B9 N S -","- C6 H22 B9 N S -","- C24 H88 B36 N4 S4 -","4","1","","Timofeev, Sergey V.; Prikaznova, Elena A.; Zhidkova, Olga B.; Druzina, Anna A.; Starikova, Zoya A.; Suponitsky, Kyrill Y.; Godovikov, Ivan A.; Sivaev, Igor B.; Bregadze, Vladimir I.","Tungsten carbonyl σ-complexes with C-thioethers based on 9-Me3N-7,8-C2B9H11","New Journal of Chemistry","2020","44","33","13934","13938","10.1039/D0NJ03212C","","","0.71073","MoKα","","0.0913","0.0547","","","0.1162","0.1321","","","","","","0.991","","","","has coordinates","257701","2020-10-21","18:00:00",""
"7059856","8.7839","0.0006","24.7066","0.0016","12.4515","0.0008","90","","98.531","0.001","90","","2672.3","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C13 H25 B9 Cl3 N O5 S2 W -","- C13 H25 B9 Cl3 N O5 S2 W -","- C52 H100 B36 Cl12 N4 O20 S8 W4 -","4","1","","Timofeev, Sergey V.; Prikaznova, Elena A.; Zhidkova, Olga B.; Druzina, Anna A.; Starikova, Zoya A.; Suponitsky, Kyrill Y.; Godovikov, Ivan A.; Sivaev, Igor B.; Bregadze, Vladimir I.","Tungsten carbonyl σ-complexes with C-thioethers based on 9-Me3N-7,8-C2B9H11","New Journal of Chemistry","2020","44","33","13934","13938","10.1039/D0NJ03212C","","","0.71073","MoKα","","0.055","0.042","","","0.0969","0.1021","","","","","","1.178","","","","has coordinates","257701","2020-10-21","18:00:00",""
"7059857","9.2287","0.0009","12.889","0.0012","17.9254","0.0017","90","","99.325","0.002","90","","2104","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H24 B9 N O4 S2 W -","- C11 H24 B9 N O4 S2 W -","- C44 H96 B36 N4 O16 S8 W4 -","4","1","","Timofeev, Sergey V.; Prikaznova, Elena A.; Zhidkova, Olga B.; Druzina, Anna A.; Starikova, Zoya A.; Suponitsky, Kyrill Y.; Godovikov, Ivan A.; Sivaev, Igor B.; Bregadze, Vladimir I.","Tungsten carbonyl σ-complexes with C-thioethers based on 9-Me3N-7,8-C2B9H11","New Journal of Chemistry","2020","44","33","13934","13938","10.1039/D0NJ03212C","","","0.71073","MoKα","","0.0207","0.0191","","","0.0487","0.0496","","","","","","1.073","","","","has coordinates","257701","2020-10-21","18:00:00",""
"7059858","17.7048","0.0006","17.7048","0.0006","31.8231","0.0011","90","","90","","120","","8638.8","0.5","100","2","99.99","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C19 H8 F12 N2 -","- C19 H8 F12 N2 -","- C342 H144 F216 N36 -","18","1","","Lakhi, Jaspreet S.; Patterson, Monika R.; Dias, H. V. Rasika","Coinage metal metallacycles involving a fluorinated 3,5-diarylpyrazolate","New Journal of Chemistry","2020","44","35","14814","14822","10.1039/D0NJ03744C","","","0.71073","MoKα","","0.0342","0.0332","","","0.0889","0.09","","","","","","1.041","","","","has coordinates","258934","2020-11-06","12:50:36",""
"7059859","8.6941","0.0005","15.8573","0.0008","26.1433","0.0013","89.287","0.002","85.728","0.002","87.428","0.002","3590.5","0.3","299","2","299.06","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H23 Ag3 Cl2 F36 N6 -","- C58 H23 Ag3 Cl2 F36 N6 -","- C116 H46 Ag6 Cl4 F72 N12 -","2","1","","Lakhi, Jaspreet S.; Patterson, Monika R.; Dias, H. V. Rasika","Coinage metal metallacycles involving a fluorinated 3,5-diarylpyrazolate","New Journal of Chemistry","2020","44","35","14814","14822","10.1039/D0NJ03744C","","","0.71073","MoKα","","0.0923","0.0615","","","0.1723","0.1945","","","","","","1.029","","","","has coordinates,has disorder","258934","2020-11-06","12:50:37",""
"7059860","8.3667","0.0005","31.7232","0.0019","25.7197","0.0015","90","","91.507","0.002","90","","6824.1","0.7","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H21 Au3 F36 N6 -","- C57 H21 Au3 F36 N6 -","- C228 H84 Au12 F144 N24 -","4","1","","Lakhi, Jaspreet S.; Patterson, Monika R.; Dias, H. V. Rasika","Coinage metal metallacycles involving a fluorinated 3,5-diarylpyrazolate","New Journal of Chemistry","2020","44","35","14814","14822","10.1039/D0NJ03744C","","","0.71073","MoKα","","0.0412","0.0317","","","0.0664","0.0702","","","","","","1.069","","","","has coordinates,has disorder","258934","2020-11-06","12:50:37",""
"7059861","8.4054","0.001","19.555","0.002","21.674","0.002","107.382","0.002","91.6","0.002","98.226","0.002","3355.4","0.6","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C67.5 H33 Cu3 F36 N6 -","- C67.5 H33 Cu3 F36 N6 -","- C135 H66 Cu6 F72 N12 -","2","1","","Lakhi, Jaspreet S.; Patterson, Monika R.; Dias, H. V. Rasika","Coinage metal metallacycles involving a fluorinated 3,5-diarylpyrazolate","New Journal of Chemistry","2020","44","35","14814","14822","10.1039/D0NJ03744C","","","0.71073","MoKα","","0.1105","0.0864","","","0.2395","0.2592","","","","","","1.086","","","","has coordinates,has disorder","258934","2020-11-06","12:50:37",""
"7059862","10.1117","0.0005","18.9112","0.0006","10.1323","0.0005","90","","117.599","0.006","90","","1717.07","0.16","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 B F2 O3 S -","- C20 H13 B F2 O3 S -","- C80 H52 B4 F8 O12 S4 -","4","1","","Paez, Elida Betania Ariza; Curcio, Sergio; Neme, Natália P.; Matos, Matheus J. S.; Correa, Rodrigo S.; Pereira, Fabio Junio; Hilário, Flaviane Francisco; Cazati, Thiago; Taylor, Jason Guy","Synthesis, photophysical and electrochemical properties of novel and highly fluorescent difluoroboron flavanone β-diketonate complexes","New Journal of Chemistry","2020","44","34","14615","14631","10.1039/D0NJ03525D","","x-ray","1.54184","CuKα","","0.0868","0.0689","","","0.1871","0.219","","","","","","1.095","","","","has coordinates,has disorder","257882","2020-10-21","18:00:00",""
"7059869","10.7417","0.0012","14.0648","0.0017","20.075","0.002","88.855","0.005","81.308","0.005","67.828","0.005","2774.1","0.5","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H42 Cl2 Cu N10 O8 -","- C54 H42 Cl2 Cu N10 O8 -","- C108 H84 Cl4 Cu2 N20 O16 -","2","1","","Hossain, Sayed Muktar; Dam, Gourab Kumar; Mishra, Sagarika; Singh, Akhilesh Kumar","A nano-molar level fluorogenic and oxidation state-selective chromogenic dual reversible chemosensor for multiple targets, Cu2+/S2− and Fe3+/F− ions","New Journal of Chemistry","2020","44","35","15186","15194","10.1039/D0NJ02777D","","","0.71073","MoKα","","0.0775","0.0476","","","0.1281","0.1541","","","","","","1.017","","","","has coordinates","258928","2020-11-06","12:49:24",""
"7059870","17.3291","0.0012","12.5871","0.0005","18.023","0.0013","90","","118.622","0.009","90","","3450.8","0.5","293","2","293","2","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H39 N6 O5 Si -","- C34 H39 N6 O5 Si -","- C136 H156 N24 O20 Si4 -","4","1","","Singh, Gurjaspreet; Suman,; Satija, Pinky; Singh, Akshpreet; Shilpy,; González-Silvera, D.; Espinosa Ruiz, Cristobal; Esteban, M. Angeles; Sahoo, Subash Chandra","Synthesis and X-ray characterization of antipyrine-tethered organosilanes and their magnetic nanoparticles: potent anti-oxidants and receptors for Sn(ii) ions","New Journal of Chemistry","2020","44","35","15157","15168","10.1039/D0NJ03300F","","x-ray","0.71073","MoKα","","0.1505","0.0679","","","0.1908","0.2364","","","","","","1.041","","","","has coordinates,has disorder","258933","2020-11-06","12:50:24",""
"7059871","9.2988","0.0005","11.3887","0.0006","13.051","0.0007","108.067","0.001","99.645","0.001","110.902","0.002","1165.73","0.11","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H44 Co N4 O14 -","- C56 H44 Co N4 O14 -","- C56 H44 Co N4 O14 -","1","0.5","","Han, Chao; Nie, Lei; Han, Xiao; Zhuang, Xiaoli; Zhang, Jingrui; Rui, Yulan; Meng, Wei","A good-performance glucose sensor fabricated via rationally designing a new cobalt‒metal‒organic framework precursor","New Journal of Chemistry","2020","44","35","14896","14905","10.1039/D0NJ03403G","","","0.71073","MoKα","","0.0408","0.0348","","","0.086","0.0894","","","","","","1.036","","","","has coordinates","258929","2020-11-06","12:49:32",""
"7059872","9.7871","0.0013","28.773","0.003","10.9288","0.0012","90","","105.459","0.011","90","","2966.3","0.6","293.02","0.1","293.02","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C144 H136 N8 O16 -","8","2","","Shi, Yang; Wang, Gangqiang; Wang, Hang; Deng, Bin; Gao, Tao; Wang, Jian; Guo, Haibing; Wu, Minghu; Sun, Shaofa","Cu-catalyzed cyclization to construct indoles from N-(ortho-chloromethyl)aryl carbamates and terminal alkynes via a one-pot reaction","New Journal of Chemistry","2020","44","34","14477","14480","10.1039/D0NJ01981J","","x-ray","1.54184","CuKα","","0.1236","0.0941","","","0.3152","0.3292","","","","","","1.089","","","","has coordinates","257878","2020-10-21","18:00:00",""
"7059873","7.3932","0.0006","10.0477","0.001","11.2604","0.001","100.487","0.008","104.79","0.007","106.52","0.008","745.56","0.13","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Cl N O2 -","- C18 H16 Cl N O2 -","- C36 H32 Cl2 N2 O4 -","2","1","","Shi, Yang; Wang, Gangqiang; Wang, Hang; Deng, Bin; Gao, Tao; Wang, Jian; Guo, Haibing; Wu, Minghu; Sun, Shaofa","Cu-catalyzed cyclization to construct indoles from N-(ortho-chloromethyl)aryl carbamates and terminal alkynes via a one-pot reaction","New Journal of Chemistry","2020","44","34","14477","14480","10.1039/D0NJ01981J","","x-ray","0.71073","MoKα","","0.0383","0.0336","","","0.0803","0.084","","","","","","1.054","","","","has coordinates","257878","2020-10-21","18:00:00",""
"7059883","15.3224","0.0012","18.0088","0.0015","18.5733","0.0015","90","","101.353","0.002","90","","5024.8","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Ag2 Mo24 N10 O90 Si2 -","- C36 H48 Ag2 Mo24 N10 O90 Si2 -","- C72 H96 Ag4 Mo48 N20 O180 Si4 -","2","0.5","","Mou, Hai-chen; Ying, Jun; Tian, Ai-xiang; Cui, Hong-tao; Wang, Xiu-li","Four Keggin-based compounds constructed by a series of pyridine derivatives: synthesis, and electrochemical, photocatalytic and fluorescence sensing properties","New Journal of Chemistry","2020","44","35","15122","15130","10.1039/D0NJ00103A","","","0.71073","MoKα","","0.0786","0.0421","","","0.081","0.0948","","","","","","1","","","","has coordinates,has disorder","258930","2020-11-06","12:49:53",""
"7059884","11.367","0.004","13.097","0.005","20.578","0.006","90","","112.338","0.016","90","","2833.6","1.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Ag N8 O42 P W12 -","- C26 H24 Ag N8 O42.0096 P W12 -","- C52 H48 Ag2 N16 O84.0192 P2 W24 -","2","0.5","","Mou, Hai-chen; Ying, Jun; Tian, Ai-xiang; Cui, Hong-tao; Wang, Xiu-li","Four Keggin-based compounds constructed by a series of pyridine derivatives: synthesis, and electrochemical, photocatalytic and fluorescence sensing properties","New Journal of Chemistry","2020","44","35","15122","15130","10.1039/D0NJ00103A","","","0.71073","MoKα","","0.0723","0.043","","","0.0752","0.0844","","","","","","1.02","","","","has coordinates,has disorder","258930","2020-11-06","12:49:55",""
"7059885","22.563","0.006","25.768","0.006","27.347","0.006","90","","91.734","0.005","90","","15892","7","296","2","296.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C98 H68 Ag6 Mo24 N28 O86 P2 S14 -","- C98 H68 Ag6 Mo24 N28 O86 P2 S14 -","- C392 H272 Ag24 Mo96 N112 O344 P8 S56 -","4","0.5","","Mou, Hai-chen; Ying, Jun; Tian, Ai-xiang; Cui, Hong-tao; Wang, Xiu-li","Four Keggin-based compounds constructed by a series of pyridine derivatives: synthesis, and electrochemical, photocatalytic and fluorescence sensing properties","New Journal of Chemistry","2020","44","35","15122","15130","10.1039/D0NJ00103A","","","0.71073","MoKα","","0.1327","0.077","","","0.1908","0.2246","","","","","","1.044","","","","has coordinates,has disorder","258930","2020-11-06","12:49:56",""
"7059886","21.34","0.005","15.114","0.005","16.206","0.005","90","","98.963","0.005","90","","5163","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H38 Ag4 Mo24 N16 O82 Si2 -","- C51.9998 H38 Ag4 Mo24 N16 O82 Si2 -","- C104 H76 Ag8 Mo48 N32 O164 Si4 -","2","0.5","","Mou, Hai-chen; Ying, Jun; Tian, Ai-xiang; Cui, Hong-tao; Wang, Xiu-li","Four Keggin-based compounds constructed by a series of pyridine derivatives: synthesis, and electrochemical, photocatalytic and fluorescence sensing properties","New Journal of Chemistry","2020","44","35","15122","15130","10.1039/D0NJ00103A","","","0.71069","MoKα","","0.0817","0.0482","","","0.1113","0.1265","","","","","","1.021","","","","has coordinates,has disorder","258930","2020-11-06","12:49:56",""
"7059887","8.5585","0.0006","8.9403","0.0006","11.5304","0.0007","83.453","0.006","70.241","0.006","78.827","0.006","813.45","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N3 O S -","- C18 H19 N3 O S -","- C36 H38 N6 O2 S2 -","2","1","","Shally,; Kumar, Vijay; Althagafi, Ismail; Kumar, Ashish; Singhal, Divya; Kumar, Abhinav; Gupta, Rajeev; Pratap, Ramendra","Design and synthesis of new functionalized 8-(thiophen-2-yl)-1,2,3,4-tetrahydroquinolines as turn-off chemosensors for selective recognition of Pd2+ ions","New Journal of Chemistry","2020","44","36","15559","15566","10.1039/D0NJ02272A","","","0.71073","MoKα","","0.0491","0.0429","","","0.1126","0.1179","","","","","","1.055","","","","has coordinates","258924","2020-11-06","12:48:46",""
"7059888","10.0548","0.0008","13.6467","0.0012","14.5545","0.0013","103.029","0.004","93.009","0.004","101.76","0.004","1894.7","0.3","295","2","295","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H19 F18 Nd O8 S -","- C29 H19 F18 Nd O8 S -","- C58 H38 F36 Nd2 O16 S2 -","2","1","","Ahmed, Zubair; Avila, Harold C.; Carvalho, Rafael S.; Kai, Jiang; Resende, J. A. L. C.; Bandini, Elisa; Barbieri, Andrea; Cremona, Marco","Bright neodymium complexes for efficient near infra-red organic light emitting diodes","New Journal of Chemistry","2020","44","33","14161","14170","10.1039/D0NJ00403K","","","0.71073","MoKα","","0.0265","0.0226","","","0.0522","0.0567","","","","","","1.17","","","","has coordinates,has disorder","257704","2020-10-21","18:00:00",""
"7059889","13.1817","0.0007","13.6362","0.0006","30.7235","0.0016","90","","90.633","0.0018","90","","5522.2","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H33 F18 Nd O8 P2 -","- C51 H33 F18 Nd O8 P2 -","- C204 H132 F72 Nd4 O32 P8 -","4","1","","Ahmed, Zubair; Avila, Harold C.; Carvalho, Rafael S.; Kai, Jiang; Resende, J. A. L. C.; Bandini, Elisa; Barbieri, Andrea; Cremona, Marco","Bright neodymium complexes for efficient near infra-red organic light emitting diodes","New Journal of Chemistry","2020","44","33","14161","14170","10.1039/D0NJ00403K","","","0.71073","MoKα","","0.0434","0.0325","","","0.0592","0.0631","","","","","","1.189","","","","has coordinates,has disorder","257704","2020-10-21","18:00:00",""
"7059890","11.6815","0.0011","12.1673","0.0011","15.3934","0.0015","69.14","0.004","86.876","0.004","67.194","0.004","1875.8","0.3","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H19 F18 Nd O10 S -","- C27 H19 F18 Nd O10 S -","- C54 H38 F36 Nd2 O20 S2 -","2","1","","Ahmed, Zubair; Avila, Harold C.; Carvalho, Rafael S.; Kai, Jiang; Resende, J. A. L. C.; Bandini, Elisa; Barbieri, Andrea; Cremona, Marco","Bright neodymium complexes for efficient near infra-red organic light emitting diodes","New Journal of Chemistry","2020","44","33","14161","14170","10.1039/D0NJ00403K","","","0.71073","MoKα","","0.0188","0.017","","","0.0427","0.0447","","","","","","1.109","","","","has coordinates,has disorder","257704","2020-10-21","18:00:00",""
"7059891","12.34413","0.00007","11.6996","0.00006","11.73975","0.00009","90","","95.4183","0.0006","90","","1687.9","0.018","94","0.2","94","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","S-(tert-Butyl)trifluorothioacetate","","","- C6 H9 F3 O S -","- C6 H9 F3 O S -","- C48 H72 F24 O8 S8 -","8","2","","Cayón, Vanina M.; Erben, Mauricio F.; Romano, Rosana M.; Stammler, Hans-Georg; Mitzel, Norbert W.; Della Védova, Carlos O.","Structure, conformational properties and matrix photochemistry of S-(tert-butyl)trifluorothioacetate CF3C(O)SC(CH3)3","New Journal of Chemistry","2020","44","34","14568","14577","10.1039/D0NJ03173A","","x-ray","0.71073","MoKα","","0.037","0.019","","","","0.022","","","","","","1.506","","","","has coordinates","257884","2020-10-21","18:00:00",""
"7059892","8.4013","0.0007","7.1404","0.0006","26.687","0.002","90","","96.133","0.001","90","","1591.8","0.2","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 Br4 N4 -","- C14 H6 Br4 N4 -","- C56 H24 Br16 N16 -","4","1","","Mboyi, Clève D.; Daher, Ahmad; Khirzada, Neelab; Devillers, Charles H.; Cattey, Hélène; Fleurat-Lessard, Paul; Roger, Julien; Hierso, Jean-Cyrille","Synthesis and structural characterisation of bulky heptaaromatic (hetero)aryl o-substituted s-aryltetrazines","New Journal of Chemistry","2020","44","35","15235","15243","10.1039/D0NJ02338H","","x-ray","0.71073","MoKα","K-L~3~","0.0227","0.0191","","","0.0476","0.0554","","","","","","1.152","","","","has coordinates","258931","2020-11-06","12:50:06",""
"7059893","11.6114","0.0008","7.0737","0.0004","19.7448","0.0013","90","","92.356","0.002","90","","1620.38","0.18","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 N4 O4 -","- C42 H34 N4 O4 -","- C84 H68 N8 O8 -","2","0.5","","Mboyi, Clève D.; Daher, Ahmad; Khirzada, Neelab; Devillers, Charles H.; Cattey, Hélène; Fleurat-Lessard, Paul; Roger, Julien; Hierso, Jean-Cyrille","Synthesis and structural characterisation of bulky heptaaromatic (hetero)aryl o-substituted s-aryltetrazines","New Journal of Chemistry","2020","44","35","15235","15243","10.1039/D0NJ02338H","","x-ray","0.71073","MoKα","","0.0471","0.0394","","","0.0963","0.1021","","","","","","1.057","","","","has coordinates","258931","2020-11-06","12:50:07",""
"7059894","11.4912","0.0006","12.8803","0.0008","17.1913","0.0009","77.642","0.002","74.455","0.002","88.158","0.002","2393.7","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C55 H60 Cl2 N4 -","- C55 H60 Cl2 N4 -","- C110 H120 Cl4 N8 -","2","1","","Mboyi, Clève D.; Daher, Ahmad; Khirzada, Neelab; Devillers, Charles H.; Cattey, Hélène; Fleurat-Lessard, Paul; Roger, Julien; Hierso, Jean-Cyrille","Synthesis and structural characterisation of bulky heptaaromatic (hetero)aryl o-substituted s-aryltetrazines","New Journal of Chemistry","2020","44","35","15235","15243","10.1039/D0NJ02338H","","x-ray","0.71073","MoKα","","0.0956","0.0653","","","0.1463","0.1641","","","","","","1.028","","","","has coordinates,has disorder","258931","2020-11-06","12:50:07",""
"7059895","12.5112","0.001","7.3614","0.0006","14.092","0.0012","90","","107.653","0.002","90","","1236.76","0.18","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br N4 -","- C14 H9 Br N4 -","- C56 H36 Br4 N16 -","4","1","","Mboyi, Clève D.; Daher, Ahmad; Khirzada, Neelab; Devillers, Charles H.; Cattey, Hélène; Fleurat-Lessard, Paul; Roger, Julien; Hierso, Jean-Cyrille","Synthesis and structural characterisation of bulky heptaaromatic (hetero)aryl o-substituted s-aryltetrazines","New Journal of Chemistry","2020","44","35","15235","15243","10.1039/D0NJ02338H","","x-ray","0.71073","MoKα","K-L~3~","0.0354","0.0274","","","0.07","0.0732","","","","","","1.048","","","","has coordinates","258931","2020-11-06","12:50:07",""
"7059896","36.798","0.003","14.1747","0.0011","10.8322","0.0008","90","","92.909","0.003","90","","5642.8","0.8","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 N4 -","- C38 H26 N4 -","- C304 H208 N32 -","8","1","","Mboyi, Clève D.; Daher, Ahmad; Khirzada, Neelab; Devillers, Charles H.; Cattey, Hélène; Fleurat-Lessard, Paul; Roger, Julien; Hierso, Jean-Cyrille","Synthesis and structural characterisation of bulky heptaaromatic (hetero)aryl o-substituted s-aryltetrazines","New Journal of Chemistry","2020","44","35","15235","15243","10.1039/D0NJ02338H","","","0.71073","MoKα","","0.0791","0.0648","","","0.1484","0.1549","","","","","","1.111","","","","has coordinates","258931","2020-11-06","12:50:07",""
"7059897","6.942","0.0019","7.3544","0.0019","32.837","0.009","89.801","0.017","89.818","0.017","70.483","0.016","1580.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 Cl N6 O4 -","- C12 H13 Cl N6 O4 -","- C48 H52 Cl4 N24 O16 -","4","2","","Banerjee, Mahuya; Ghosh, Milan; Ta, Sabyasachi; Ghosh, Subhasis; Das, Debasis","Tuning uracil derivatives for the AIE-based detection of pyrene at a nano-molar level: single-crystal X-ray structure and DFT support","New Journal of Chemistry","2020","44","36","15376","15386","10.1039/D0NJ03024D","","","0.71073","MoKα","","0.0718","0.0792","","","0.0898","0.097","","","","","","1.06","","","","has coordinates","258920","2020-11-06","12:48:09",""
"7059898","5.3571","0.0002","12.7753","0.0006","13.8969","0.0006","74.461","0.004","86.616","0.003","85.79","0.003","913.08","0.07","295.5","0.3","295.5","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 O3 S2 -","- C22 H16 O3 S2 -","- C44 H32 O6 S4 -","2","1","","Feng, Zhi-Wen; Li, Jing; Jiang, Yu-Qin; Tian, Yu; Xu, Gui-Qing; Shi, Xin; Ding, Qing-Jie; Li, Wei; Ma, Chun-Hua; Yu, Bing","Transition-metal-free sulfonylations of methylthiolated alkynones to synthesize 3-sulfonylated thioflavones","New Journal of Chemistry","2020","44","35","14786","14790","10.1039/D0NJ03386C","","x-ray","1.54184","CuKα","","0.042","0.0374","","","0.1029","0.1055","","","","","","1.065","","","","has coordinates","258935","2020-11-06","12:50:47",""
"7059899","9.6448","0.0009","10.4761","0.001","20.407","0.002","99.834","0.003","90.618","0.003","113.963","0.003","1849.1","0.3","110.64","0.02","110.64","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C84 H108 N4 O8 -","4","2","","Ghosh, Pritam; Paul, Suparna; Dey, Debanjan; Jana, Saibal; Roy, Biswajit Gopal; Mukhopadhyay, Subhra Kanti; Banerjee, Priyabrata","Engineering bio-molecular device with biocompatible sensor via symmetric encryption‒decryption of spectroscopic signals towards F− detection and Zn2+ recognition by the imine hydrolysis pathway","New Journal of Chemistry","2020","44","35","15251","15259","10.1039/D0NJ01057J","","","0.71073","MoKα","","0.0436","0.0406","","","0.1045","0.1069","","","","","","1.033","","","","has coordinates","258932","2020-11-06","12:50:15",""
"7059900","9.8814","0.0004","12.1332","0.0004","12.3986","0.0005","90.205","0.001","113.005","0.001","109.168","0.001","1277.47","0.09","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C21 H20 Cl3 N O4 Pt0.5 S5 -","- C21 H20 Cl3 N O4 Pt0.5 S5 -","- C42 H40 Cl6 N2 O8 Pt S10 -","2","1","","Frąckowiak, Arkadiusz; Barszcz, Bolesław; Olejniczak, Iwona; Tomasik, Mikołaj; Jarzyniak, Natalia; Świetlik, Roman; Auban-Senzier, Pascale; Fourmigué, Marc; Jeannin, Olivier; Camerel, Franck","Mixed valence trimers in cation radical salts of TMTTF with the planar bis(6-sulfo-8-quinolato) platinum complex [Pt(qS)2]2−","New Journal of Chemistry","2020","44","36","15538","15548","10.1039/D0NJ03584J","","x-ray","0.71073","MoKα","","0.0316","0.0294","","","0.0569","0.0577","","","","","","1.048","","","","has coordinates","258923","2020-11-06","12:48:37",""
"7059901","22.6764","0.0015","9.9976","0.0006","12.7217","0.0009","90","","110.9","0.003","90","","2694.4","0.3","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/m 1","-C 2y","12","","","","- C24 H23 N O4 Pt0.5 S7 -","- C24 H23 N O4 Pt0.5 S7 -","- C96 H92 N4 O16 Pt2 S28 -","4","0.5","","Frąckowiak, Arkadiusz; Barszcz, Bolesław; Olejniczak, Iwona; Tomasik, Mikołaj; Jarzyniak, Natalia; Świetlik, Roman; Auban-Senzier, Pascale; Fourmigué, Marc; Jeannin, Olivier; Camerel, Franck","Mixed valence trimers in cation radical salts of TMTTF with the planar bis(6-sulfo-8-quinolato) platinum complex [Pt(qS)2]2−","New Journal of Chemistry","2020","44","36","15538","15548","10.1039/D0NJ03584J","","x-ray","0.71073","MoKα","","0.0351","0.0308","","","0.0572","0.0593","","","","","","1.017","","","","has coordinates","258923","2020-11-06","12:48:41",""
"7059902","14.2917","0.0015","5.5579","0.0006","14.5639","0.0014","90","","111.471","0.007","90","","1076.6","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 O8 -","- C24 H28 O8 -","- C48 H56 O16 -","2","0.5","","Shabir, Ghulam; Saeed, Aamer; Qasim, Muhammad; Bolte, Michael; Hökelek, Tuncer; Erben, Mauricio Federico","On the planarity of the cyclobutane ring in the crystal of dimethyl 2,4-bis(3,4-dimethoxyphenyl)cyclobutane-1,3-dicarboxylate: a natural bond orbital and Hirshfeld surface analysis study","New Journal of Chemistry","2020","44","36","15515","15525","10.1039/D0NJ02739A","","","0.71073","MoKα","","0.0542","0.0459","","","0.1135","0.1176","","","","","","1.047","","","","has coordinates","265221","2021-05-14","10:01:31",""
"7059903","10.1302","0.0003","16.2436","0.0005","16.2491","0.0005","90","","90","","90","","2673.8","0.14","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H40 B18 Co N O2 -","- C13 H40 B18 Co N O2 -","- C52 H160 B72 Co4 N4 O8 -","4","1","","Bogdanova, Ekaterina V.; Stogniy, Marina Yu.; Chekulaeva, Lyubov A.; Anisimov, Aleksei A.; Suponitsky, Kyrill Yu.; Sivaev, Igor B.; Grin, Mikhail A.; Mironov, Andrey F.; Bregadze, Vladimir I.","Synthesis and reactivity of propionitrilium derivatives of cobalt and iron bis(dicarbollides)","New Journal of Chemistry","2020","44","37","15836","15848","10.1039/D0NJ03017A","","","0.71073","MoKα","","0.0489","0.0368","","","0.0835","0.0893","","","","","","1.062","","","","has coordinates","258889","2020-11-06","12:41:10",""
"7059904","12.274","0.001","14.7071","0.0013","15.7843","0.0014","83.874","0.002","79.833","0.002","68.584","0.002","2608.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Eudpqtfa3","","","- C114 H84 Cl12 Eu2 N14 O12 -","- C114 H84 Cl12 Eu2 N14 O12 -","- C114 H84 Cl12 Eu2 N14 O12 -","1","0.5","","Abbas, Zafar; Singh, Prerana; Dasari, Srikanth; Sivakumar, Sri; Patra, Ashis K.","Luminescent EuIII and TbIII bimetallic complexes of N,N′-heterocyclic bases and tolfenamic acid: structures, photophysical aspects and biological activity","New Journal of Chemistry","2020","44","36","15685","15697","10.1039/D0NJ03261A","","","0.71073","MoKα","","0.0875","0.0707","","","0.1764","0.1954","","","","","","1.086","","","","has coordinates","258921","2020-11-06","12:48:18",""
"7059905","12.1852","0.0011","14.6493","0.0012","15.8587","0.0013","83.611","0.002","80.232","0.002","68.241","0.002","2587.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Tbdpqtfa3","","","- C114 H84 Cl12 N14 O12 Tb2 -","- C114 H84 Cl12 N14 O12 Tb2 -","- C114 H84 Cl12 N14 O12 Tb2 -","1","0.5","","Abbas, Zafar; Singh, Prerana; Dasari, Srikanth; Sivakumar, Sri; Patra, Ashis K.","Luminescent EuIII and TbIII bimetallic complexes of N,N′-heterocyclic bases and tolfenamic acid: structures, photophysical aspects and biological activity","New Journal of Chemistry","2020","44","36","15685","15697","10.1039/D0NJ03261A","","","0.71073","MoKα","","0.0804","0.0622","","","0.1613","0.1834","","","","","","1.013","","","","has coordinates","258921","2020-11-06","12:48:19",""
"7059906","15.3633","0.0011","16.2341","0.0011","16.5403","0.0011","94.764","0.002","109.988","0.002","116.867","0.002","3316.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Eudppztfa3","","","- C126 H100 Cl24 Eu2 N14 O16 -","- C126 H100 Cl24 Eu2 N14 O16 -","- C126 H100 Cl24 Eu2 N14 O16 -","1","0.5","","Abbas, Zafar; Singh, Prerana; Dasari, Srikanth; Sivakumar, Sri; Patra, Ashis K.","Luminescent EuIII and TbIII bimetallic complexes of N,N′-heterocyclic bases and tolfenamic acid: structures, photophysical aspects and biological activity","New Journal of Chemistry","2020","44","36","15685","15697","10.1039/D0NJ03261A","","","0.71073","MoKα","","0.0632","0.0587","","","0.1535","0.1613","","","","","","1.039","","","","has coordinates","258921","2020-11-06","12:48:19",""
"7059907","15.3604","0.0006","16.2122","0.0007","16.48","0.0006","94.479","0.001","109.871","0.001","117.003","0.001","3303.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Tbdppztfa3","","","- C126 H100 Cl24 N14 O16 Tb2 -","- C126 H100 Cl24 N14 O16 Tb2 -","- C126 H100 Cl24 N14 O16 Tb2 -","1","0.5","","Abbas, Zafar; Singh, Prerana; Dasari, Srikanth; Sivakumar, Sri; Patra, Ashis K.","Luminescent EuIII and TbIII bimetallic complexes of N,N′-heterocyclic bases and tolfenamic acid: structures, photophysical aspects and biological activity","New Journal of Chemistry","2020","44","36","15685","15697","10.1039/D0NJ03261A","","","0.71073","MoKα","","0.0567","0.0499","","","0.1261","0.136","","","","","","1.027","","","","has coordinates","258921","2020-11-06","12:48:19",""
"7059908","15.7865","0.0016","15.7979","0.0016","14.0932","0.0015","90","","113.559","0.003","90","","3221.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 N2 O6 Zn -","- C38 H32 N2 O6 Zn -","- C152 H128 N8 O24 Zn4 -","4","1","","Dutta, Basudeb; Ghosh, Sourav Ranjan; Ray, Apurba; Jana, Srikanta; Sinha, Chittaranjan; Das, Sachindranath; Jana, Atish Dipankar; Mir, Mohammad Hedayetullah","Stabilization of cyclic water tetramers and dimers in the crystal host of 2D coordination networks: electrical conductivity and dielectric studies","New Journal of Chemistry","2020","44","37","15857","15870","10.1039/D0NJ03750H","","","1.54178","CuKα","","0.0631","0.0593","","","0.1298","0.1322","","","","","","1.063","","","","has coordinates","258887","2020-11-06","12:40:50",""
"7059909","15.7596","0.0017","16.9112","0.0019","12.5653","0.0014","90","","109.196","0.003","90","","3162.6","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H30.6 N2 O4.3 Zn -","- C39 H30.6 N2 O4.3 Zn -","- C156 H122.4 N8 O17.2 Zn4 -","4","1","","Dutta, Basudeb; Ghosh, Sourav Ranjan; Ray, Apurba; Jana, Srikanta; Sinha, Chittaranjan; Das, Sachindranath; Jana, Atish Dipankar; Mir, Mohammad Hedayetullah","Stabilization of cyclic water tetramers and dimers in the crystal host of 2D coordination networks: electrical conductivity and dielectric studies","New Journal of Chemistry","2020","44","37","15857","15870","10.1039/D0NJ03750H","","","0.71073","MoKα","","0.0902","0.066","","","0.1535","0.1672","","","","","","1.071","","","","has coordinates","258887","2020-11-06","12:40:54",""
"7059910","13.1438","0.0002","4.63066","0.00007","35.1361","0.0007","90","","99.9688","0.0017","90","","2106.25","0.06","295","1","295","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N4 O2 -","- C26 H22 N4 O2 -","- C104 H88 N16 O8 -","4","0.5","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","1.54184","CuKα","","0.0491","0.0445","","","0.1253","0.1318","","","","","","1.044","","","","has coordinates,has disorder","258941","2020-11-06","12:52:21",""
"7059911","10.0943","0.0007","16.7406","0.001","18.719","0.0012","90","","91.772","0.006","90","","3161.7","0.4","295","1","295","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C62 H102 N6 O7 -","- C62 H102 N6 O7 -","- C124 H204 N12 O14 -","2","1","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","0.71073","MoKα","","0.1075","0.0652","","","0.1625","0.1991","","","","","","1.017","","","","has coordinates","258941","2020-11-06","12:52:22",""
"7059912","16.5304","0.0006","18.1277","0.0004","19.8203","0.0008","90","","92.4926","0.0014","90","","5933.7","0.3","170","0.1","170","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H96 Br2 N6 O3 -","- C58 H96 Br2 N6 O3 -","- C232 H384 Br8 N24 O12 -","4","1","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","0.71073","MoKα","","0.2217","0.0892","","","0.2057","0.2792","","","","","","1.019","","","","has coordinates,has disorder","258941","2020-11-06","12:52:22",""
"7059913","9.8525","0.0002","9.8769","0.0002","17.3039","0.0004","85.666","0.002","86.551","0.002","76.335","0.002","1629.98","0.06","295","1","295","1","","","","","","","","6","P 1","P 1","1","","","","- C60 H100 I2 N6 O3 S -","- C60 H100 I2 N6 O3 S -","- C60 H100 I2 N6 O3 S -","1","1","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","1.54184","CuKα","","0.0256","0.0254","","","0.068","0.0691","","","","","","1.064","","","","has coordinates","258941","2020-11-06","12:52:22",""
"7059914","15.0086","0.0013","9.8413","0.0005","20.6682","0.0016","90","","99.841","0.008","90","","3007.9","0.4","295","1","295","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H94 N8 O8 -","- C58 H94 N8 O8 -","- C116 H188 N16 O16 -","2","0.5","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","0.71073","MoKα","","0.1354","0.0777","","","0.2218","0.2708","","","","","","1.027","","","","has coordinates","258941","2020-11-06","12:52:22",""
"7059915","12.129","0.0003","14.2416","0.0003","38.0026","0.001","90","","90.258","0.002","90","","6564.4","0.3","295","1","295","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H98 N8 O10 -","- C62 H98 N8 O10 -","- C248 H392 N32 O40 -","4","0.5","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","1.54184","CuKα","","0.1057","0.0893","","","0.3183","0.3548","","","","","","1.309","","","","has coordinates","258941","2020-11-06","12:52:22",""
"7059916","25.2125","0.0006","8.18205","0.00012","47.2764","0.0007","90","","91.9897","0.0017","90","","9746.8","0.3","295","1","295","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N6 O6 -","- C26 H20 N6 O6 -","- C312 H240 N72 O72 -","12","1.5","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","1.54184","CuKα","","0.0923","0.0839","","","0.2263","0.2327","","","","","","1.064","","","","has coordinates","258941","2020-11-06","12:52:22",""
"7059917","18.2621","0.0005","14.8485","0.0004","24.879","0.0009","90","","90.576","0.003","90","","6746","0.4","295","1","295","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C58 H99 N6 O10.5 P2 -","- C58 H99 N6 O10.5 P2 -","- C232 H396 N24 O42 P8 -","4","0.5","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","1.54184","CuKα","","0.1115","0.1039","","","0.3457","0.3711","","","","","","1.59","","","","has coordinates,has disorder","258941","2020-11-06","12:52:22",""
"7059918","21.451","0.002","8.7308","0.0007","17.3855","0.0011","90","","92.489","0.007","90","","3253","0.5","295","1","295","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C66 H98 Br2 N6 O2 -","- C66 H98 Br2 N6 O2 -","- C132 H196 Br4 N12 O4 -","2","0.5","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","0.71073","MoKα","","0.081","0.0491","","","0.1254","0.1471","","","","","","1.015","","","","has coordinates","258941","2020-11-06","12:52:22",""
"7059919","10.086","0.0014","17.874","0.003","19.228","0.004","90","","99.871","0.015","90","","3415.1","1","295","1","295","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H104 N6 O6 -","- C70 H104 N6 O6 -","- C140 H208 N12 O12 -","2","0.5","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","0.71073","MoKα","","0.164","0.0814","","","0.2284","0.2996","","","","","","1.012","","","","has coordinates,has disorder","258941","2020-11-06","12:52:22",""
"7059920","7.9775","0.0004","10.0854","0.0005","20.0463","0.001","101.107","0.004","96.41","0.004","93.701","0.004","1566.61","0.14","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C58 H92 Br2 N8 O6 -","- C58 H92 Br2 N8 O6 -","- C58 H92 Br2 N8 O6 -","1","0.5","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","0.71073","MoKα","","0.0678","0.0427","","","0.0956","0.1073","","","","","","1.014","","","","has coordinates","258941","2020-11-06","12:52:22",""
"7059921","13.8036","0.0008","18.2461","0.001","18.3745","0.0009","81.787","0.004","83.628","0.004","70.879","0.005","4317.5","0.4","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C84 H113 N14 O16 P -","- C84 H113 N14 O16 P -","- C168 H226 N28 O32 P2 -","2","1","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","0.71073","MoKα","","0.1649","0.0915","","","0.2562","0.3163","","","","","","1.023","","","","has coordinates,has disorder","258941","2020-11-06","12:52:22",""
"7059922","21.87","0.004","13.09","0.003","23.56","0.005","90","","90.14","0.03","90","","6745","2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C76.5 H59 Cl0.75 Cu4 N4 O8 -","- C76.5 H59 Cl0.75 Cu4 N4 O8 -","- C306 H236 Cl3 Cu16 N16 O32 -","4","1","","Ahmed, Naushad; Tripathi, Shalini; Sarkar, Arup; Ansari, Kamal Uddin; Das, Chinmoy; Prajesh, Neetu; Horike, Satoshi; Boomishankar, Ramamoorthy; Shanmugam, Maheswaran","Chiral tetranuclear copper(ii) complexes: synthesis, optical and magnetic properties","New Journal of Chemistry","2020","44","39","16845","16855","10.1039/D0NJ02856H","","","0.71073","MoKα","","0.099","0.0735","","","0.2007","0.222","","","","","","1.046","","","","has coordinates,has disorder","258912","2020-11-06","12:46:21",""
"7059923","9.2818","0.0013","6.7034","0.001","14.154","0.002","90","","95.26","0.004","90","","876.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Tegafur Syringic acid","5-Fluoro-1-(tetrahydro-2-furyl)-uracil 4-hydroxy-3,5-dimethoxybenzoic acid","","- C8.5 H9.5 F0.5 N O4 -","- C8.5 H9.5 F0.5 N O4 -","- C34 H38 F2 N4 O16 -","4","1","","Yu, Yue-Ming; Yu, Ming-Chao; Wang, Ling-Yang; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","A supramolecular adduct of tegafur and syringic acid: the first tegafur-nutraceutical cocrystal with perfected in vitro and in vivo characteristics as well as synergized anticancer activities","New Journal of Chemistry","2020","44","37","15994","16005","10.1039/D0NJ03033C","","","0.71073","MoKα","","0.1182","0.0729","","","0.1383","0.1523","","","","","","1.136","","","","has coordinates,has disorder","258893","2020-11-06","12:42:25",""
"7059924","9.1575","0.0004","9.7424","0.0007","18.8433","0.0012","80.612","0.005","88.722","0.004","81.743","0.005","1641.41","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H22 Mn2 N4 O9 -","- C40 H22 Mn2 N4 O9 -","- C80 H44 Mn4 N8 O18 -","2","1","","Chen, Jinwei; Li, Yu; Gu, Jinzhong; Kirillova, Marina V.; Kirillov, Alexander M.","Introducing a flexible tetracarboxylic acid linker into functional coordination polymers: synthesis, structural traits, and photocatalytic dye degradation","New Journal of Chemistry","2020","44","37","16082","16091","10.1039/D0NJ03628E","","","1.54178","CuKα","","0.0524","0.0386","","","0.0873","0.0966","","","","","","1.013","","","","has coordinates","258886","2020-11-06","12:40:40",""
"7059925","9.6533","0.0008","10.2886","0.0007","12.0303","0.0011","81.518","0.007","84.74","0.007","69.49","0.007","1105.82","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 Cd2 N O11 -","- C21 H15 Cd2 N O11 -","- C42 H30 Cd4 N2 O22 -","2","1","","Chen, Jinwei; Li, Yu; Gu, Jinzhong; Kirillova, Marina V.; Kirillov, Alexander M.","Introducing a flexible tetracarboxylic acid linker into functional coordination polymers: synthesis, structural traits, and photocatalytic dye degradation","New Journal of Chemistry","2020","44","37","16082","16091","10.1039/D0NJ03628E","","","0.71073","MoKα","","0.0526","0.0368","","","0.0606","0.0696","","","","","","1.041","","","","has coordinates","258886","2020-11-06","12:40:40",""
"7059926","9.2839","0.0004","9.7926","0.0005","18.8722","0.001","80.21","0.004","89.15","0.004","81.519","0.004","1672.17","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H22 Cd2 N4 O9 -","- C40 H22 Cd2 N4 O9 -","- C80 H44 Cd4 N8 O18 -","2","1","","Chen, Jinwei; Li, Yu; Gu, Jinzhong; Kirillova, Marina V.; Kirillov, Alexander M.","Introducing a flexible tetracarboxylic acid linker into functional coordination polymers: synthesis, structural traits, and photocatalytic dye degradation","New Journal of Chemistry","2020","44","37","16082","16091","10.1039/D0NJ03628E","","","0.71073","MoKα","","0.0617","0.0413","","","0.0663","0.0778","","","","","","1.049","","","","has coordinates","258886","2020-11-06","12:40:40",""
"7059927","9.1491","0.0003","9.7813","0.0004","18.2601","0.0008","78.26","0.004","89.318","0.003","82.47","0.003","1585.93","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H22 Mn2 N4 O9 -","- C36 H22 Mn2 N4 O9 -","- C72 H44 Mn4 N8 O18 -","2","1","","Chen, Jinwei; Li, Yu; Gu, Jinzhong; Kirillova, Marina V.; Kirillov, Alexander M.","Introducing a flexible tetracarboxylic acid linker into functional coordination polymers: synthesis, structural traits, and photocatalytic dye degradation","New Journal of Chemistry","2020","44","37","16082","16091","10.1039/D0NJ03628E","","","1.54178","CuKα","","0.0372","0.0324","","","0.0796","0.0832","","","","","","1.019","","","","has coordinates","258886","2020-11-06","12:40:40",""
"7059928","7.8912","0.0005","11.8502","0.0008","19.9189","0.0014","88.39","0.006","86.247","0.005","79.912","0.005","1829.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H27 Cd2 N4 O13 -","- C36 H27 Cd2 N4 O13 -","- C72 H54 Cd4 N8 O26 -","2","1","","Chen, Jinwei; Li, Yu; Gu, Jinzhong; Kirillova, Marina V.; Kirillov, Alexander M.","Introducing a flexible tetracarboxylic acid linker into functional coordination polymers: synthesis, structural traits, and photocatalytic dye degradation","New Journal of Chemistry","2020","44","37","16082","16091","10.1039/D0NJ03628E","","","0.71073","MoKα","","0.0945","0.0599","","","0.1302","0.1536","","","","","","1.045","","","","has coordinates","258886","2020-11-06","12:40:40",""
"7059929","23.3836","0.0015","7.8481","0.0005","24.1515","0.0017","90","","115.063","0.008","90","","4014.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 O4 -","- C24 H18 N2 O4 -","- C192 H144 N16 O32 -","8","2","","Mir, Nisar A.; Ramaraju, Panduga; Vanaparthi, Satheeshvarma; Choudhary, Sachin; Singh, Rajnish P.; Sharma, Preetika; Kant, Rajni; Singh, Rajpal; Sankaranarayanan, Murugesan; Kumar, Indresh","Sequential multicomponent catalytic synthesis of pyrrole-3-carboxaldehydes: evaluation of antibacterial and antifungal activities along with docking studies","New Journal of Chemistry","2020","44","38","16329","16339","10.1039/D0NJ03575K","","","0.71073","MoKα","","0.142","0.0551","","","0.0765","0.1004","","","","","","0.894","","","","has coordinates","258943","2020-11-06","12:52:57",""
"7059930","9.517","0.0005","10.8616","0.0007","18.5972","0.001","90","","100.902","0.005","90","","1887.69","0.19","290","","290","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N4 O4 -","- C22 H16 N4 O4 -","- C88 H64 N16 O16 -","4","1","","Todorov, Petar; Georgieva, Stela; Peneva, Petia; Rusew, Rusi; Shivachev, Boris; Georgiev, Anton","Experimental and theoretical study of bidirectional photoswitching behavior of 5,5′-diphenylhydantoin Schiff bases: synthesis, crystal structure and kinetic approaches","New Journal of Chemistry","2020","44","35","15081","15099","10.1039/D0NJ03301D","","x-ray","0.71073","MoKα","","0.0713","0.0471","","","0.1112","0.125","","","","","","1.043","","","","has coordinates","258926","2020-11-06","12:49:07",""
"7059931","16.3125","0.0006","8.4276","0.0003","27.2914","0.001","90","","105.355","0.004","90","","3618","0.2","290","","290","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C21 H16 N4 O2 -","- C21 H16 N4 O2 -","- C168 H128 N32 O16 -","8","1","","Todorov, Petar; Georgieva, Stela; Peneva, Petia; Rusew, Rusi; Shivachev, Boris; Georgiev, Anton","Experimental and theoretical study of bidirectional photoswitching behavior of 5,5′-diphenylhydantoin Schiff bases: synthesis, crystal structure and kinetic approaches","New Journal of Chemistry","2020","44","35","15081","15099","10.1039/D0NJ03301D","","x-ray","0.71073","MoKα","","0.0764","0.0482","","","0.1154","0.132","","","","","","1.077","","","","has coordinates","258926","2020-11-06","12:49:08",""
"7059932","8.5374","0.0008","10.4625","0.0017","11.6521","0.0017","107.718","0.014","96.228","0.01","106.521","0.011","928.6","0.3","290","","290","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 N3 O3 -","- C22 H17 N3 O3 -","- C44 H34 N6 O6 -","2","1","","Todorov, Petar; Georgieva, Stela; Peneva, Petia; Rusew, Rusi; Shivachev, Boris; Georgiev, Anton","Experimental and theoretical study of bidirectional photoswitching behavior of 5,5′-diphenylhydantoin Schiff bases: synthesis, crystal structure and kinetic approaches","New Journal of Chemistry","2020","44","35","15081","15099","10.1039/D0NJ03301D","","x-ray","0.71073","MoKα","","0.1352","0.0618","","","0.1746","0.1927","","","","","","1.024","","","","has coordinates","258926","2020-11-06","12:49:08",""
"7059933","19.6248","0.0012","7.2937","0.0006","16.2808","0.0013","90","","94.445","0.006","90","","2323.4","0.3","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H8.25 In N2 O5.62 -","- C11 H8.25 In N2 O5.625 -","- C88 H66 In8 N16 O45 -","8","1","","Cen, Peipei; Liang, Chen; Duan, Lijuan; Wang, Meilin; Tian, Danian; Liu, Xiangyu","A robust 3D In‒MOF with an imidazole acid ligand as a fluorescent sensor for sensitive and selective detection of Fe3+ ions","New Journal of Chemistry","2020","44","37","16076","16081","10.1039/D0NJ03793A","","","0.71073","MoKα","","0.0541","0.0387","","","0.0685","0.0753","","","","","","1.035","","","","has coordinates","258888","2020-11-06","12:41:00",""
"7059934","8.4477","0.0006","9.0068","0.0005","23.045","0.0017","90","","93.494","0.003","90","","1750.2","0.2","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H6 N8 O12 -","- C13 H6 N8 O12 -","- C52 H24 N32 O48 -","4","1","","Tang, Jie; Chen, Jieyi; Yang, Pengju; Yang, Hongwei; Cheng, Guangbin","An efficient strategy for the preparation of insensitive energetic materials: intramolecular cyclization of picrylhydrazone into an indazole derivative","New Journal of Chemistry","2020","44","37","15849","15856","10.1039/D0NJ03476B","","","0.71073","MoKα","","0.1011","0.0599","","","0.0943","0.106","","","","","","1.097","","","","has coordinates","258892","2020-11-06","12:42:18",""
"7059935","7.8751","0.0004","8.0958","0.0003","12.352","0.0005","81.816","0.002","80.771","0.002","80.036","0.002","760.25","0.06","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N16 O14 -","- C22 H22 N16 O14 -","- C22 H22 N16 O14 -","1","0.5","","Tang, Jie; Chen, Jieyi; Yang, Pengju; Yang, Hongwei; Cheng, Guangbin","An efficient strategy for the preparation of insensitive energetic materials: intramolecular cyclization of picrylhydrazone into an indazole derivative","New Journal of Chemistry","2020","44","37","15849","15856","10.1039/D0NJ03476B","","","0.71073","MoKα","","0.065","0.0404","","","0.0859","0.0983","","","","","","1.051","","","","has coordinates,has disorder","258892","2020-11-06","12:42:18",""
"7059936","26.618","0.01","15.497","0.006","9.32","0.003","90","","97.757","0.01","90","","3809","2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H8 N10 O10 -","- C15 H8 N10 O10 -","- C120 H64 N80 O80 -","8","1","","Tang, Jie; Chen, Jieyi; Yang, Pengju; Yang, Hongwei; Cheng, Guangbin","An efficient strategy for the preparation of insensitive energetic materials: intramolecular cyclization of picrylhydrazone into an indazole derivative","New Journal of Chemistry","2020","44","37","15849","15856","10.1039/D0NJ03476B","","","0.71073","MoKα","","0.1762","0.1084","","","0.2653","0.3001","","","","","","1.057","","","","has coordinates","258892","2020-11-06","12:42:18",""
"7059937","17.899","0.005","13.249","0.005","24.649","0.005","90","0.005","90.85","0.005","90","0.005","5845","3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H66 Co2 N6 O4 -","- C68 H66 Co2 N6 O4 -","- C272 H264 Co8 N24 O16 -","4","1","","Filkale, Adelew Estifanos; Pathak, Chandni","Dinuclear cobalt complexes supported by biphenol and binaphthol-derived bis(salicylaldimine) ligands: synthesis, characterization and catalytic application in β-enaminone synthesis from 1,3-dicarbonyl compounds and aliphatic amines","New Journal of Chemistry","2020","44","35","15109","15121","10.1039/D0NJ00052C","","","0.71073","MoKα","","0.053","0.0516","","","0.1282","0.1292","","","","","","1.144","","","","has coordinates","258927","2020-11-06","12:49:17",""
"7059938","15.965","0.005","12.533","0.005","20.132","0.005","90","0.005","111.862","0.005","90","0.005","3739","2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C76 H60 Co2 N4 O4 -","- C76 H60 Co2 N4 O4 -","- C152 H120 Co4 N8 O8 -","2","1","","Filkale, Adelew Estifanos; Pathak, Chandni","Dinuclear cobalt complexes supported by biphenol and binaphthol-derived bis(salicylaldimine) ligands: synthesis, characterization and catalytic application in β-enaminone synthesis from 1,3-dicarbonyl compounds and aliphatic amines","New Journal of Chemistry","2020","44","35","15109","15121","10.1039/D0NJ00052C","","","0.71073","MoKα","","0.0961","0.0905","","","0.2475","0.2583","","","","","","1.081","","","","has coordinates","258927","2020-11-06","12:49:17",""
"7059939","6.6999","0.0003","20.5919","0.0009","7.634","0.0004","90","","107.377","0.005","90","","1005.15","0.09","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(2-hydroxyphenyl)carbonyl-5-trifluoromethyl-2H-1,2,3-triazol","","- C10 H6 F3 N3 O2 -","- C10 H6 F3 N3 O2 -","- C40 H24 F12 N12 O8 -","4","1","","Espitia Cogollo, E.; Piro, O. E.; Echeverría, G. A.; Tuttolomondo, M. E.; Pérez, H.; Jios, J. L.; Ulic, S. E.","Hydrogen bonding interactions in fluorinated 1,2,3-triazole derivatives","New Journal of Chemistry","2020","44","37","16006","16019","10.1039/D0NJ02914A","","x-ray","0.71073","MoKα","","0.0543","0.0397","","","0.0931","0.1036","","","","","","1.028","","","","has coordinates","258890","2020-11-06","12:41:20",""
"7059940","7.4429","0.0003","21.4011","0.0009","15.5986","0.0007","90","","97.343","0.004","90","","2464.27","0.18","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(2-hydroxy-5-methylphenyl)carbonyl-5-trifluoromethyl-2H-1,2,3-triazol monohydrate","","- C11 H10 F3 N3 O3 -","- C11 H10 F3 N3 O3 -","- C88 H80 F24 N24 O24 -","8","1","","Espitia Cogollo, E.; Piro, O. E.; Echeverría, G. A.; Tuttolomondo, M. E.; Pérez, H.; Jios, J. L.; Ulic, S. E.","Hydrogen bonding interactions in fluorinated 1,2,3-triazole derivatives","New Journal of Chemistry","2020","44","37","16006","16019","10.1039/D0NJ02914A","","x-ray","0.71073","MoKα","","0.0698","0.0516","","","0.1328","0.1502","","","","","","1.028","","","","has coordinates","258890","2020-11-06","12:41:20",""
"7059941","6.6403","0.0009","8.1037","0.0007","11.1004","0.0013","106.45","0.009","101.623","0.011","93.168","0.009","557.1","0.12","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","4-(2-hydroxy-5-chlorophenyl)carbonyl-5-trifluoromethyl-2H-1,2,3-triazol","","- C10 H5 Cl F3 N3 O2 -","- C10 H5 Cl F3 N3 O2 -","- C20 H10 Cl2 F6 N6 O4 -","2","1","","Espitia Cogollo, E.; Piro, O. E.; Echeverría, G. A.; Tuttolomondo, M. E.; Pérez, H.; Jios, J. L.; Ulic, S. E.","Hydrogen bonding interactions in fluorinated 1,2,3-triazole derivatives","New Journal of Chemistry","2020","44","37","16006","16019","10.1039/D0NJ02914A","","x-ray","0.71073","MoKα","","0.0808","0.0482","","","0.1044","0.1272","","","","","","1.039","","","","has coordinates","258890","2020-11-06","12:41:20",""
"7059942","5.0192","0.0002","17.4035","0.0006","13.0726","0.0005","90","","94.057","0.004","90","","1139.05","0.07","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(2-hydroxy-5-nitrophenyl)carbonyl-5-trifluoromethyl-2H-1,2,3-triazol","","- C10 H5 F3 N4 O4 -","- C10 H5 F3 N4 O4 -","- C40 H20 F12 N16 O16 -","4","1","","Espitia Cogollo, E.; Piro, O. E.; Echeverría, G. A.; Tuttolomondo, M. E.; Pérez, H.; Jios, J. L.; Ulic, S. E.","Hydrogen bonding interactions in fluorinated 1,2,3-triazole derivatives","New Journal of Chemistry","2020","44","37","16006","16019","10.1039/D0NJ02914A","","x-ray","0.71073","MoKα","","0.0841","0.0535","","","0.1287","0.1535","","","","","","1.02","","","","has coordinates","258890","2020-11-06","12:41:20",""
"7059943","18.7726","0.0014","11.047","0.0007","19.4765","0.0013","90","","97.954","0.002","90","","4000.2","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H86 Cl0 Dy2 Mn4 N14 O27 -","- C72 H86 Dy2 Mn4 N14 O27 -","- C144 H172 Dy4 Mn8 N28 O54 -","2","0.25","","Wang, Hui-Sheng; Chen, Yong; Hu, Zhao-Bo; Zhang, Ke; Zhang, Zaichao; Song, You; Pan, Zhi-Quan","Modulating the structural topologies and magnetic relaxation behaviour of the Mn‒Dy compounds by using different auxiliary organic ligands","New Journal of Chemistry","2020","44","38","16302","16310","10.1039/D0NJ03838E","","","0.71073","MoKα","","0.0592","0.039","","","0.0719","0.0763","","","","","","1.038","","","","has coordinates","258942","2020-11-06","12:52:35",""
"7059944","25.1051","0.0011","26.7821","0.0009","22.7889","0.001","90","","100.298","0.002","90","","15075.7","1.1","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H61 Cl2 Dy Mn4 N8 O17 -","- C62 H61 Cl2 Dy Mn4 N8 O17 -","- C496 H488 Cl16 Dy8 Mn32 N64 O136 -","8","1","","Wang, Hui-Sheng; Chen, Yong; Hu, Zhao-Bo; Zhang, Ke; Zhang, Zaichao; Song, You; Pan, Zhi-Quan","Modulating the structural topologies and magnetic relaxation behaviour of the Mn‒Dy compounds by using different auxiliary organic ligands","New Journal of Chemistry","2020","44","38","16302","16310","10.1039/D0NJ03838E","","","0.71073","MoKα","","0.1341","0.0952","","","0.2016","0.2157","","","","","","1.097","","","","has coordinates","258942","2020-11-06","12:52:39",""
"7059945","19.632","0.001","5.7579","0.0003","18.7135","0.0011","90","","90","","90","","2115.4","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C88 H112 N16 O16 -","8","2","","Peerzada, Mudasir Nabi; Khan, Parvez; Khan, Nashrah Sharif; Gaur, Aysha; Avecilla, Fernando; Hassan, Md. Imtaiyaz; Azam, Amir","Identification of morpholine based hydroxylamine analogues: selective inhibitors of MARK4/Par-1d causing cancer cell death through apoptosis","New Journal of Chemistry","2020","44","38","16626","16637","10.1039/D0NJ03474F","","","0.71073","MoKα","","0.0777","0.0472","","","0.0944","0.1079","","","","","","1.041","","","","has coordinates","258938","2020-11-06","12:51:29",""
"7059946","6.828","0.0003","8.4251","0.0004","12.0384","0.0005","101.229","0.001","95.141","0.001","109.126","0.002","632.92","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C26 H36 N4 O6 -","2","1","","Peerzada, Mudasir Nabi; Khan, Parvez; Khan, Nashrah Sharif; Gaur, Aysha; Avecilla, Fernando; Hassan, Md. Imtaiyaz; Azam, Amir","Identification of morpholine based hydroxylamine analogues: selective inhibitors of MARK4/Par-1d causing cancer cell death through apoptosis","New Journal of Chemistry","2020","44","38","16626","16637","10.1039/D0NJ03474F","","","0.71073","MoKα","","0.0526","0.0402","","","0.0935","0.1027","","","","","","1.036","","","","has coordinates","258938","2020-11-06","12:51:32",""
"7059947","7.2135","0.0009","9.5319","0.001","9.6366","0.0011","84.67","0.004","68.742","0.004","82.721","0.004","611.74","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 F3 N2 O2 -","- C12 H13 F3 N2 O2 -","- C24 H26 F6 N4 O4 -","2","1","","Peerzada, Mudasir Nabi; Khan, Parvez; Khan, Nashrah Sharif; Gaur, Aysha; Avecilla, Fernando; Hassan, Md. Imtaiyaz; Azam, Amir","Identification of morpholine based hydroxylamine analogues: selective inhibitors of MARK4/Par-1d causing cancer cell death through apoptosis","New Journal of Chemistry","2020","44","38","16626","16637","10.1039/D0NJ03474F","","","0.71073","MoKα","","0.0663","0.0435","","","0.0868","0.0976","","","","","","1.038","","","","has coordinates","258938","2020-11-06","12:51:36",""
"7059948","11.1289","0.0004","15.0127","0.0006","10.5764","0.0005","90","","90","","90","","1767.05","0.13","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H19 Cl2 Cu N S2 -","- C16 H19 Cl2 Cu N S2 -","- C64 H76 Cl8 Cu4 N4 S8 -","4","0.5","","Durigon, Daniele Cocco; Maragno Peterle, Marcos; Bortoluzzi, Adailton João; Ribeiro, Ronny Rocha; Braga, Antonio Luiz; Peralta, Rosely Aparecida; Neves, Ademir","Cu(ii) complexes with tridentate sulfur and selenium ligands: catecholase and hydrolysis activity","New Journal of Chemistry","2020","44","36","15698","15707","10.1039/D0NJ02806A","","","0.71073","MoKα","","0.0348","0.0264","","","0.0587","0.0638","","","","","","1.084","","","","has coordinates","258919","2020-11-06","12:47:53",""
"7059949","11.0926","0.0006","15.3632","0.0009","10.7113","0.0006","90","","90","","90","","1825.4","0.18","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H19 Cl2 Cu N Se2 -","- C16 H19 Cl2 Cu N Se2 -","- C64 H76 Cl8 Cu4 N4 Se8 -","4","0.5","","Durigon, Daniele Cocco; Maragno Peterle, Marcos; Bortoluzzi, Adailton João; Ribeiro, Ronny Rocha; Braga, Antonio Luiz; Peralta, Rosely Aparecida; Neves, Ademir","Cu(ii) complexes with tridentate sulfur and selenium ligands: catecholase and hydrolysis activity","New Journal of Chemistry","2020","44","36","15698","15707","10.1039/D0NJ02806A","","","0.71073","MoKα","","0.0414","0.0272","","","0.0555","0.0613","","","","","","1.056","","","","has coordinates","258919","2020-11-06","12:47:59",""
"7059950","5.8152","0.0007","19.93","0.003","9.4998","0.0012","90","","102.749","0.002","90","","1073.9","0.2","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 Cu2 N2 O10 -","- C20 H22 Cu2 N2 O10 -","- C40 H44 Cu4 N4 O20 -","2","1","","Miyagawa, Yoshito; Tsatsuryan, Arshak; Haraguchi, Tomoyuki; Shcherbakov, Igor; Akitsu, Takashiro","Photochemical reduction of Cr(vi) compounds by amino acid Schiff base copper complexes with a hydroxyl group and titanium oxide composites in aqueous solutions","New Journal of Chemistry","2020","44","38","16665","16674","10.1039/D0NJ02481C","","","0.71073","MoKα","","0.0226","0.0211","","","0.0473","0.0478","","","","","","1.005","","","","has coordinates","298328","2025-03-07","16:31:38",""
"7059951","6.3126","0.0013","13.094","0.003","11.74","0.003","90","","91.632","0.008","90","","970","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Cu N O4 -","- C9 H9 Cu N O5 -","- C36 H36 Cu4 N4 O20 -","4","1","","Miyagawa, Yoshito; Tsatsuryan, Arshak; Haraguchi, Tomoyuki; Shcherbakov, Igor; Akitsu, Takashiro","Photochemical reduction of Cr(vi) compounds by amino acid Schiff base copper complexes with a hydroxyl group and titanium oxide composites in aqueous solutions","New Journal of Chemistry","2020","44","38","16665","16674","10.1039/D0NJ02481C","","","0.71073","MoKα","","0.0459","0.0348","","","0.1029","0.1294","","","","","","0.968","","","","has coordinates","258937","2020-11-06","12:51:13",""
"7059952","7.3484","0.001","14.6316","0.0019","16.822","0.002","90","","99.035","0.002","90","","1786.2","0.4","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","CuPDB","","- C35 H40 Cu2 N2 O12 -","- C35 H40 Cu2 N2 O12 -","- C70 H80 Cu4 N4 O24 -","2","1","","Miyagawa, Yoshito; Tsatsuryan, Arshak; Haraguchi, Tomoyuki; Shcherbakov, Igor; Akitsu, Takashiro","Photochemical reduction of Cr(vi) compounds by amino acid Schiff base copper complexes with a hydroxyl group and titanium oxide composites in aqueous solutions","New Journal of Chemistry","2020","44","38","16665","16674","10.1039/D0NJ02481C","","","0.71073","MoKα","","0.0343","0.0296","","","0.0653","0.0671","","","","","","0.976","","","","has coordinates","258937","2020-11-06","12:51:13",""
"7059953","5.9103","0.0002","7.481","0.0002","23.4895","0.0008","90","","92.482","0.001","90","","1037.61","0.06","150","","150","","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C12 H13 Fe N O -","- C12 H13 Fe N O -","- C48 H52 Fe4 N4 O4 -","4","2","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0365","0.0351","","","0.0891","0.0902","","","","","","1.065","","","","has coordinates","258891","2020-11-06","12:41:44",""
"7059954","15.261","0.003","7.467","0.0011","10.2018","0.0016","90","","109.261","0.006","90","","1097.5","0.3","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 F3 Fe N O -","- C12 H10 F3 Fe N O -","- C48 H40 F12 Fe4 N4 O4 -","4","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0415","0.0333","","","0.072","0.0763","","","","","","1.06","","","","has coordinates","258891","2020-11-06","12:41:47",""
"7059955","18.433","0.003","10.1869","0.0016","15.329","0.003","90","","90","","90","","2878.4","0.9","150","2","150","2","","","","","","","synthesis as described","5","P b c n","-P 2n 2ab","60","","","","- C17 H14 Fe N2 O3 -","- C17 H14 Fe N2 O3 -","- C136 H112 Fe8 N16 O24 -","8","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0474","0.0353","","","0.0899","0.0975","","","","","","0.964","","","","has coordinates","258891","2020-11-06","12:41:56",""
"7059956","14.4453","0.0009","10.4926","0.0005","10.0119","0.0006","90","","105.996","0.002","90","","1458.74","0.14","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cl Fe N O -","- C17 H14 Cl Fe N O -","- C68 H56 Cl4 Fe4 N4 O4 -","4","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0388","0.031","","","0.072","0.0765","","","","","","0.975","","","","has coordinates","258891","2020-11-06","12:41:59",""
"7059957","9.836","0.0012","8.386","0.001","28.171","0.003","90","","90","","90","","2323.7","0.5","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C14 H15 Fe N O -","- C14 H15 Fe N O -","- C112 H120 Fe8 N8 O8 -","8","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0409","0.0352","","","0.0832","0.0858","","","","","","1.162","","","","has coordinates","258891","2020-11-06","12:41:59",""
"7059958","10.2809","0.0014","26.782","0.004","9.9687","0.0013","90","","90","","90","","2744.8","0.7","150","2","150","2","","","","","","","synthesis as described","5","P c c n","-P 2ab 2ac","56","","","","- C17 H15 Fe N O -","- C17 H15 Fe N O -","- C136 H120 Fe8 N8 O8 -","8","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0322","0.0273","","","0.065","0.068","","","","","","1.033","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059959","14.1641","0.0013","9.6057","0.0008","8.2368","0.0008","90","","106.643","0.003","90","","1073.72","0.17","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Fe N O -","- C13 H13 Fe N O -","- C52 H52 Fe4 N4 O4 -","4","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0248","0.0224","","","0.0629","0.0652","","","","","","0.959","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059960","10.025","0.0013","8.8225","0.001","27.727","0.003","90","","90","","90","","2452.3","0.5","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 Fe N O -","- C15 H17 Fe N O -","- C120 H136 Fe8 N8 O8 -","8","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0391","0.0305","","","0.0724","0.0766","","","","","","1.035","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059961","9.6323","0.0009","10.0838","0.0012","15.0175","0.0018","90","","95.784","0.004","90","","1451.2","0.3","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Fe N O -","- C18 H17 Fe N O -","- C72 H68 Fe4 N4 O4 -","4","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0295","0.0263","","","0.0699","0.0721","","","","","","1.048","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059962","20.788","0.003","13.387","0.002","10.5242","0.0013","90","","114.189","0.004","90","","2671.6","0.7","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 Fe N O -","- C16 H19 Fe N O -","- C128 H152 Fe8 N8 O8 -","8","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0374","0.0288","","","0.0696","0.0746","","","","","","1.011","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059963","10.7882","0.0011","14.3983","0.0013","9.0245","0.0009","90","","102.111","0.004","90","","1370.6","0.2","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F Fe N O -","- C17 H14 F Fe N O -","- C68 H56 F4 Fe4 N4 O4 -","4","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0281","0.0248","","","0.0631","0.0657","","","","","","0.954","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059964","10.3749","0.0011","11.6955","0.0013","13.3758","0.0012","109.852","0.003","100.413","0.003","91.18","0.004","1495.5","0.3","150","","150","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C18 H16 Cl Fe N O -","- C18 H16 Cl Fe N O -","- C72 H64 Cl4 Fe4 N4 O4 -","4","2","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0446","0.0391","","","0.1001","0.104","","","","","","1.055","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059965","14.3999","0.0012","10.4832","0.0007","10.1885","0.0009","90","","98.29","0.003","90","","1522","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Fe N O2 -","- C18 H17 Fe N O2 -","- C72 H68 Fe4 N4 O8 -","4","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0953","0.0761","","","0.1975","0.213","","","","","","0.974","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059966","10.9882","0.0005","12.9018","0.0005","14.8228","0.0005","99.381","0.002","91.412","0.001","109.26","0.001","1950.3","0.14","150","","150","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C24 H20 Cl Fe N O -","- C24 H20 Cl Fe N O -","- C96 H80 Cl4 Fe4 N4 O4 -","4","2","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.044","0.0321","","","0.073","0.0788","","","","","","1.007","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059967","29.192","0.003","8.5607","0.0008","9.406","0.0009","90","","92.452","0.004","90","","2348.4","0.4","150","","150","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 Fe N O -","- C14 H15 Fe N O -","- C112 H120 Fe8 N8 O8 -","8","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0303","0.0265","","","0.0746","0.0784","","","","","","0.904","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059968","12.7745","0.0016","11.0716","0.0016","10.518","0.0012","90","","94.122","0.004","90","","1483.8","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Fe N2 O -","- C16 H22 Fe N2 O -","- C64 H88 Fe4 N8 O4 -","4","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0517","0.042","","","0.1092","0.1169","","","","","","1.057","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059969","17.0141","0.0013","10.6656","0.0009","20.145","0.0016","90","","107.428","0.003","90","","3487.8","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 Fe2 N O -","- C22 H21 Fe2 N O -","- C176 H168 Fe16 N8 O8 -","8","2","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0419","0.0341","","","0.0853","0.0906","","","","","","1.038","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059970","8.9424","0.0005","9.3918","0.0006","18.8587","0.0012","90","","94.385","0.002","90","","1579.22","0.17","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C19 H19 Fe N O2 -","- C19 H19 Fe N O2 -","- C76 H76 Fe4 N4 O8 -","4","2","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0848","0.0804","","","0.1996","0.2027","","","","","","1.04","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059971","8.8495","0.0002","5.0583","0.0001","16.2521","0.0003","90","","102.686","0.002","90","","709.74","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C38 H28 N4 O2 -","2","1","","Younes, Eyad A.; Hussein, Nour; Shtaiwi, Majed; Shahrokhi, Farshid; Abu Safieh, Kayed A.; Zhao, Yuming","N-(Cyano(naphthalen-1-yl)methyl)benzamides: synthesis, crystal structures, and colorimetric sensing of fluoride anions","New Journal of Chemistry","2020","44","38","16546","16556","10.1039/D0NJ03105D","","x-ray","1.54184","CuKα","","0.0417","0.0396","","","0.0962","0.0972","","","","","","1.095","","","","has coordinates","258936","2020-11-06","12:51:00",""
"7059972","4.98087","0.00004","14.0357","0.00014","11.32877","0.00011","90","","94.4463","0.0008","90","","789.611","0.013","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H13 N3 O3 -","- C19 H13 N3 O3 -","- C38 H26 N6 O6 -","2","1","","Younes, Eyad A.; Hussein, Nour; Shtaiwi, Majed; Shahrokhi, Farshid; Abu Safieh, Kayed A.; Zhao, Yuming","N-(Cyano(naphthalen-1-yl)methyl)benzamides: synthesis, crystal structures, and colorimetric sensing of fluoride anions","New Journal of Chemistry","2020","44","38","16546","16556","10.1039/D0NJ03105D","","x-ray","1.54184","CuKα","","0.0314","0.0309","","","0.0785","0.0791","","","","","","1.064","","","","has coordinates","258936","2020-11-06","12:51:00",""
"7059973","8.3646","0.0002","22.9273","0.0006","9.4978","0.0002","90","","110.706","0.003","90","","1703.81","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 N4 O5 -","- C19 H12 N4 O5 -","- C76 H48 N16 O20 -","4","1","","Younes, Eyad A.; Hussein, Nour; Shtaiwi, Majed; Shahrokhi, Farshid; Abu Safieh, Kayed A.; Zhao, Yuming","N-(Cyano(naphthalen-1-yl)methyl)benzamides: synthesis, crystal structures, and colorimetric sensing of fluoride anions","New Journal of Chemistry","2020","44","38","16546","16556","10.1039/D0NJ03105D","","x-ray","1.54184","CuKα","","0.0717","0.0611","","","0.1674","0.1757","","","","","","1.06","","","","has coordinates","258936","2020-11-06","12:51:00",""
"7059974","18.541","0.004","11.086","0.002","7.6415","0.0016","90","","101.055","0.003","90","","1541.5","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 S6 -","- C12 H12 N2 S6 -","- C48 H48 N8 S24 -","4","1","","Li, Xiang; Liu, Yu-Han; Zhu, Guang-Zhou; Gao, Feng","Stabilization and isolation of radical cation and dication salts of a tetrathiafulvalene derivative functionalized with amino groups","New Journal of Chemistry","2020","44","39","16959","16964","10.1039/D0NJ04033A","","","0.71073","MoKα","","0.0463","0.0379","","","0.1128","0.1191","","","","","","1.066","","","","has coordinates","258913","2020-11-06","12:46:31",""
"7059975","11.4155","0.0015","21.743","0.003","18.958","0.002","90","","90.048","0.002","90","","4705.5","1","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H12 Al F36 N2 O4 S6 -","- C28 H12 Al F36 N2 O4 S6 -","- C112 H48 Al4 F144 N8 O16 S24 -","4","1","","Li, Xiang; Liu, Yu-Han; Zhu, Guang-Zhou; Gao, Feng","Stabilization and isolation of radical cation and dication salts of a tetrathiafulvalene derivative functionalized with amino groups","New Journal of Chemistry","2020","44","39","16959","16964","10.1039/D0NJ04033A","","","0.71073","MoKα","","0.136","0.1093","","","0.2404","0.2568","","","","","","1.162","","","","has coordinates,has disorder","258913","2020-11-06","12:46:31",""
"7059976","11.8303","0.0017","16.083","0.002","20.14","0.003","93.018","0.002","102.528","0.002","102.004","0.002","3639.7","0.9","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H12 Al2 F72 N2 O8 S6 -","- C44.012 H12 Al2 F72.027 N2 O8.0012 S6 -","- C88.024 H24 Al4 F144.054 N4 O16.0024 S12 -","2","1","","Li, Xiang; Liu, Yu-Han; Zhu, Guang-Zhou; Gao, Feng","Stabilization and isolation of radical cation and dication salts of a tetrathiafulvalene derivative functionalized with amino groups","New Journal of Chemistry","2020","44","39","16959","16964","10.1039/D0NJ04033A","","","0.71073","MoKα","","0.0975","0.0805","","","0.2369","0.2624","","","","","","1.03","","","","has coordinates,has disorder","258913","2020-11-06","12:46:31",""
"7059977","17.0468","0.0002","8.4872","0.0001","15.8299","0.0002","90","","107.754","0.001","90","","2181.19","0.05","169.99","0.11","169.99","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 Cl2 N3 Ni -","- C22 H29 Cl2 N3 Ni -","- C88 H116 Cl8 N12 Ni4 -","4","1","","Li, Jiaxin; Ma, Yanping; Hu, Xinquan; Flisak, Zygmunt; Tongling, Liang; Sun, Wen-Hua","2-(N,N-Diethylaminomethyl)-6,7-trihydroquinolinyl-8-ylideneamine-Ni(ii) chlorides: application in ethylene dimerization and trimerization","New Journal of Chemistry","2020","44","39","17047","17052","10.1039/D0NJ04003G","","x-ray","1.54184","CuKα","","0.0391","0.0328","","","0.088","0.1124","","","","","","1.145","","","","has coordinates","258910","2020-11-06","12:45:48",""
"7059978","9.5112","0.0002","10.9618","0.0003","12.9408","0.0002","94.937","0.002","95.575","0.001","92.089","0.002","1336.48","0.05","170","0.11","170","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C26 H37 Cl2 N3 Ni -","- C26 H37 Cl2 N3 Ni -","- C52 H74 Cl4 N6 Ni2 -","2","1","","Li, Jiaxin; Ma, Yanping; Hu, Xinquan; Flisak, Zygmunt; Tongling, Liang; Sun, Wen-Hua","2-(N,N-Diethylaminomethyl)-6,7-trihydroquinolinyl-8-ylideneamine-Ni(ii) chlorides: application in ethylene dimerization and trimerization","New Journal of Chemistry","2020","44","39","17047","17052","10.1039/D0NJ04003G","","x-ray","1.54184","CuKα","","0.0339","0.0293","","","0.0782","0.0886","","","","","","1.112","","","","has coordinates","258910","2020-11-06","12:45:51",""
"7059979","9.2341","0.0009","11.7296","0.0011","11.7828","0.0011","107.239","0.001","95.632","0.001","92.735","0.001","1209","0.2","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H20 Ag4 F24 N12 -","- C44 H20 Ag4 F24 N12 -","- C44 H20 Ag4 F24 N12 -","1","0.5","","Dias, H. V. Rasika; Palehepitiya Gamage, Chammi S.; Jayaratna, Naleen B.; Hettiarachchi, Champika V.","Mixed ligand complexes of silver(i) supported by highly fluorinated pyrazolates, and chelating and bridging N-heterocycles","New Journal of Chemistry","2020","44","39","17079","17087","10.1039/D0NJ04007J","","x-ray","0.71073","MoKα","","0.0361","0.0315","","","0.0763","0.0805","","","","","","1.027","","","","has coordinates","258911","2020-11-06","12:46:08",""
"7059980","12.1451","0.0013","13.5207","0.0014","20.327","0.003","92.125","0.005","96.546","0.006","103.553","0.011","3216.8","0.7","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C63 H36 Ag4 F24 N14 -","- C63 H36 Ag4 F24 N14 -","- C126 H72 Ag8 F48 N28 -","2","1","","Dias, H. V. Rasika; Palehepitiya Gamage, Chammi S.; Jayaratna, Naleen B.; Hettiarachchi, Champika V.","Mixed ligand complexes of silver(i) supported by highly fluorinated pyrazolates, and chelating and bridging N-heterocycles","New Journal of Chemistry","2020","44","39","17079","17087","10.1039/D0NJ04007J","","","0.71073","MoKα","","0.0497","0.0385","","","0.0904","0.0973","","","","","","1.046","","","","has coordinates,has disorder","258911","2020-11-06","12:46:11",""
"7059981","9.771","0.003","12.915","0.005","15.031","0.005","113.919","0.003","91.759","0.004","107.231","0.004","1631.2","1","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C27 H11 Ag3 F18 N8 -","- C27 H11 Ag3 F18 N8 -","- C54 H22 Ag6 F36 N16 -","2","2","","Dias, H. V. Rasika; Palehepitiya Gamage, Chammi S.; Jayaratna, Naleen B.; Hettiarachchi, Champika V.","Mixed ligand complexes of silver(i) supported by highly fluorinated pyrazolates, and chelating and bridging N-heterocycles","New Journal of Chemistry","2020","44","39","17079","17087","10.1039/D0NJ04007J","","","0.71073","MoKα","","0.0318","0.0315","","","0.0829","0.0833","","","","","","1.043","","","","has coordinates","258911","2020-11-06","12:46:13",""
"7059982","7.9948","0.0016","9.2604","0.0019","10.149","0.002","95.903","0.003","99.779","0.003","113.145","0.002","668.8","0.2","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Ag2 F12 N8 -","- C22 H18 Ag2 F12 N8 -","- C22 H18 Ag2 F12 N8 -","1","0.5","","Dias, H. V. Rasika; Palehepitiya Gamage, Chammi S.; Jayaratna, Naleen B.; Hettiarachchi, Champika V.","Mixed ligand complexes of silver(i) supported by highly fluorinated pyrazolates, and chelating and bridging N-heterocycles","New Journal of Chemistry","2020","44","39","17079","17087","10.1039/D0NJ04007J","","","0.71073","MoKα","","0.0226","0.0218","","","0.0561","0.0568","","","","","","1.036","","","","has coordinates","258911","2020-11-06","12:46:13",""
"7059983","11.344","0.002","11.818","0.002","11.899","0.002","114.407","0.002","108.836","0.002","96.696","0.002","1315.7","0.4","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H16 Ag4 Br4 F24 N12 -","- C44 H16 Ag4 Br4 F24 N12 -","- C44 H16 Ag4 Br4 F24 N12 -","1","0.5","","Dias, H. V. Rasika; Palehepitiya Gamage, Chammi S.; Jayaratna, Naleen B.; Hettiarachchi, Champika V.","Mixed ligand complexes of silver(i) supported by highly fluorinated pyrazolates, and chelating and bridging N-heterocycles","New Journal of Chemistry","2020","44","39","17079","17087","10.1039/D0NJ04007J","","","0.71073","MoKα","","0.0408","0.0378","","","0.1028","0.1057","","","","","","1.065","","","","has coordinates","258911","2020-11-06","12:46:13",""
"7059984","11.2824","0.001","11.813","0.001","11.8889","0.001","115.407","0.001","109.115","0.001","96.329","0.001","1292.7","0.19","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H16 Ag4 Cl4 F24 N12 -","- C44 H16 Ag4 Cl4 F24 N12 -","- C44 H16 Ag4 Cl4 F24 N12 -","1","0.5","","Dias, H. V. Rasika; Palehepitiya Gamage, Chammi S.; Jayaratna, Naleen B.; Hettiarachchi, Champika V.","Mixed ligand complexes of silver(i) supported by highly fluorinated pyrazolates, and chelating and bridging N-heterocycles","New Journal of Chemistry","2020","44","39","17079","17087","10.1039/D0NJ04007J","","","0.71073","MoKα","","0.0314","0.029","","","0.0746","0.077","","","","","","1.056","","","","has coordinates","258911","2020-11-06","12:46:13",""
"7059985","20.7755","0.0003","8.7032","0.0001","22.9649","0.0004","90","","90","","90","","4152.36","0.11","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H14 Cl N3 O2 -","- C8 H14 Cl N3 O2 -","- C128 H224 Cl16 N48 O32 -","16","2","","Karavaizoglu, Ufuk Nusret; Salamci, Emine","An efficient synthesis of chloro-aminocyclooctanediol and aminocyclooctanetriol: an unexpected acetolysis product","New Journal of Chemistry","2020","44","41","17976","17983","10.1039/D0NJ02697B","","","0.71073","MoKα","","0.0525","0.0434","","","0.1065","0.1143","","","","","","1.051","","","","has coordinates","258895","2020-11-06","12:42:45",""
"7059986","12.7747","0.0004","12.7747","0.0004","20.7228","0.0011","90","","90","","90","","3381.8","0.2","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C14 H21 N3 O6 -","- C14 H21 N3 O6 -","- C112 H168 N24 O48 -","8","1","","Karavaizoglu, Ufuk Nusret; Salamci, Emine","An efficient synthesis of chloro-aminocyclooctanediol and aminocyclooctanetriol: an unexpected acetolysis product","New Journal of Chemistry","2020","44","41","17976","17983","10.1039/D0NJ02697B","","","0.71073","MoKα","","0.0567","0.0442","","","0.1021","0.1073","","","","","","1.067","","","","has coordinates","258895","2020-11-06","12:42:45",""
"7059987","10.2089","0.0003","10.2089","0.0003","26.3489","0.001","90","","90","","120","","2378.21","0.13","293","2","293","2","","","","","","","","6","P 31","P 31","144","","","","- C36 H30 Cl Cu N3 P -","- C36 H30 Cl Cu N3 P -","- C108 H90 Cl3 Cu3 N9 P3 -","3","1","","Kumari, Sheela; Ratnam, Anand; Mawai, Kiran; Chaudhary, Virendra Kumar; Mohanty, Aurobinda; Ghosh, Kaushik","Cu(i) based catalysts derived from bidentate ligands and studies on the effect of substituents for N-arylation of benzimidazoles and indoles","New Journal of Chemistry","2020","44","45","19591","19597","10.1039/D0NJ02568B","","","0.71073","MoKα","","0.0365","0.0336","","","0.071","0.072","","","","","","1.03","","","","has coordinates","259618","2020-12-06","14:33:22",""
"7059988","13.68995","0.00014","13.39392","0.00017","31.9706","0.0004","90","","90","","90","","5862.2","0.12","291.49","0.1","291.49","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H33 N O6 -","- C33 H33 N O6 -","- C264 H264 N8 O48 -","8","1","","Zhang, Wei-jing; Lin, Xin-cen; Li, Feng; Huang, Zhen-jie; Gong, Cheng-bin; Tang, Qian","Multicolored electrochromic and electrofluorochromic materials containing triphenylamine and benzoates","New Journal of Chemistry","2020","44","38","16412","16420","10.1039/D0NJ03666H","","x-ray","1.54184","CuKα","","0.0559","0.0489","","","0.123","0.1299","","","","","","1.042","","","","has coordinates","258939","2020-11-06","12:51:44",""
"7059989","6.3611","0.0005","4.6432","0.0004","30.859","0.002","90","","94.213","0.003","90","","908.98","0.12","107","2","107.49","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N4 O4 -","- C8 H8 N4 O4 -","- C32 H32 N16 O16 -","4","1","","Nandi, Sujay Kumar; Haldar, Debasish","1-m-Nitrobenzoyl semicarbazide: reversible colorimetric cascade indicators for fluoride and moisture","New Journal of Chemistry","2020","44","40","17523","17530","10.1039/D0NJ03769A","","","0.71073","MoKα","","0.0877","0.0593","","","0.1406","0.1605","","","","","","1.035","","","","has coordinates","258917","2020-11-06","12:47:21",""
"7059990","17.4273","0.0005","13.5792","0.0004","27.8866","0.0008","90","","98.456","0.001","90","","6527.6","0.3","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 Cl Ir N6 O4 S -","- C35 H31.5 Cl Ir N6 O4 S -","- C280 H252 Cl8 Ir8 N48 O32 S8 -","8","2","","Bhat, Satish S.; S., Naveen; Revankar, Vidyanand K.; Lokanath, N. K.; Pinjari, Rahul V.; Kumbar, Vijay; Bhat, Kishore","Synthesis, structural characterization and biological properties of cyclometalated iridium(iii) complexes containing [1,2,5]-thiadiazolo-[3,4-f]-[1,10]-phenanthroline","New Journal of Chemistry","2020","44","40","17442","17452","10.1039/D0NJ03421E","","","1.54178","CuKα","","0.056","0.0499","","","0.1428","0.1545","","","","","","1.122","","","","has coordinates","295862","2024-11-09","12:08:10",""
"7059991","19.775","0.0006","17.4755","0.0006","22.2462","0.0007","90","","90","","90","","7687.8","0.4","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H28 Cl Ir N8 O4 S -","- C42 H28 Cl Ir N8 O4 S -","- C336 H224 Cl8 Ir8 N64 O32 S8 -","8","1","","Bhat, Satish S.; S., Naveen; Revankar, Vidyanand K.; Lokanath, N. K.; Pinjari, Rahul V.; Kumbar, Vijay; Bhat, Kishore","Synthesis, structural characterization and biological properties of cyclometalated iridium(iii) complexes containing [1,2,5]-thiadiazolo-[3,4-f]-[1,10]-phenanthroline","New Journal of Chemistry","2020","44","40","17442","17452","10.1039/D0NJ03421E","","","1.54178","CuKα","","0.0845","0.0775","","","0.2033","0.2148","","","","","","1.067","","","","has coordinates","258918","2020-11-06","12:47:31",""
"7059992","22.064","0.009","5.688","0.002","16.512","0.007","90","","105.246","0.004","90","","1999.3","1.4","173","2","173.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 S2 -","- C28 H18 S2 -","- C112 H72 S8 -","4","0.5","","Yin, Fan; Wang, Long; Yang, Xiankai; Liu, Meihui; Geng, Hua; Liao, Yi; Liao, Qing; Fu, Hongbing","High performance single-crystalline organic field-effect transistors based on molecular-modified dibenzo[a,e]pentalenes derivatives","New Journal of Chemistry","2020","44","40","17552","17557","10.1039/D0NJ03297B","","","0.71073","MoKα","","0.0631","0.0587","","","0.1305","0.133","","","","","","1.177","","","","has coordinates,has disorder","258915","2020-11-06","12:47:07",""
"7059993","33.516","0.003","13.4848","0.0009","16.0485","0.0019","90","","127.892","0.017","90","","5724","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Cd1.5 N5 O8 -","- C25 H20 Cd1.5 N5 O8 -","- C200 H160 Cd12 N40 O64 -","8","1","","Zhou, Chuan-Cong; Yan, Hui; Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivity studies on five isostructural MOFs with different acidity induced by metal cations","New Journal of Chemistry","2020","44","41","17821","17830","10.1039/D0NJ04179C","","","0.71073","MoKα","","0.0692","0.0461","","","0.1172","0.1315","","","","","","1.048","","","","has coordinates,has disorder","258897","2020-11-06","12:43:17",""
"7059994","15.0379","0.0009","13.8407","0.0007","26.5035","0.001","90","","101.131","0.005","90","","5412.5","0.5","293","2","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C25 H20 Co1.5 N5 O8 -","- C25 H20 Co1.5 N5 O8 -","- C200 H160 Co12 N40 O64 -","8","1","","Zhou, Chuan-Cong; Yan, Hui; Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivity studies on five isostructural MOFs with different acidity induced by metal cations","New Journal of Chemistry","2020","44","41","17821","17830","10.1039/D0NJ04179C","","","1.54184","CuKα","","0.0748","0.0603","","","0.1634","0.1749","","","","","","1.031","","","","has coordinates","258897","2020-11-06","12:43:25",""
"7059995","15.3323","0.0017","13.626","0.0006","26.3724","0.0013","90","","99.996","0.005","90","","5426","0.7","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C25 H20 N5 O8 Zn1.5 -","- C25 H20 N5 O8 Zn1.5 -","- C200 H160 N40 O64 Zn12 -","8","1","","Zhou, Chuan-Cong; Yan, Hui; Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivity studies on five isostructural MOFs with different acidity induced by metal cations","New Journal of Chemistry","2020","44","41","17821","17830","10.1039/D0NJ04179C","","","1.54184","CuKα","","0.0568","0.049","","","0.1265","0.1357","","","","","","1.069","","","","has coordinates","258897","2020-11-06","12:43:26",""
"7059996","15.2474","0.0011","13.5792","0.0011","26.1965","0.0013","90","","100.068","0.006","90","","5340.4","0.6","293","2","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C25 H20 N5 Ni1.5 O8 -","- C25 H20 N5 Ni1.5 O8 -","- C200 H160 N40 Ni12 O64 -","8","1","","Zhou, Chuan-Cong; Yan, Hui; Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivity studies on five isostructural MOFs with different acidity induced by metal cations","New Journal of Chemistry","2020","44","41","17821","17830","10.1039/D0NJ04179C","","","1.54184","CuKα","","0.1185","0.0738","","","0.2041","0.2479","","","","","","1.025","","","","has coordinates","258897","2020-11-06","12:43:26",""
"7059997","15.006","0.0011","14.1267","0.0008","26.9845","0.0015","90","","102.14","0.006","90","","5592.4","0.6","293","2","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C25 H20 Mn1.5 N5 O8 -","- C25 H20 Mn1.5 N5 O8 -","- C200 H160 Mn12 N40 O64 -","8","1","","Zhou, Chuan-Cong; Yan, Hui; Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivity studies on five isostructural MOFs with different acidity induced by metal cations","New Journal of Chemistry","2020","44","41","17821","17830","10.1039/D0NJ04179C","","","1.54184","CuKα","","0.1382","0.0905","","","0.2521","0.3165","","","","","","1.189","","","","has coordinates","258897","2020-11-06","12:43:26",""
"7059999","7.7102","0.0006","26.796","0.002","12.9661","0.001","90","","98.888","0.003","90","","2646.7","0.4","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 Br2 Cl6 Mo2 N6 O6 S4 -","- C42 H32 Br2 Cl6 Mo2 N6 O6 S4 -","- C84 H64 Br4 Cl12 Mo4 N12 O12 S8 -","2","0.5","","Biswal, Debanjana; Roy, Malini; Pramanik, Nikhil Ranjan; Paul, Suvendu; Drew, Michael G. B.; Chakrabarti, Syamal","The vital role of ditopic N‒N bridging ligands with different lengths in the formation of new binuclear dioxomolybdenum(vi) complexes: synthesis, crystal structures, supramolecular framework and protein binding studies","New Journal of Chemistry","2020","44","38","16645","16664","10.1039/D0NJ03702H","","","0.71073","MoKα","","0.1296","0.061","","","0.1495","0.177","","","","","","1.036","","","","has coordinates","258940","2020-11-06","12:51:54",""
"7060000","7.845","0.006","10.096","0.008","15.635","0.012","80.063","0.008","84.016","0.008","76.674","0.009","1184.2","1.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H36 Br2 Mo2 N8 O6 S4 -","- C44 H36 Br2 Mo2 N8 O6 S4 -","- C44 H36 Br2 Mo2 N8 O6 S4 -","1","0.5","","Biswal, Debanjana; Roy, Malini; Pramanik, Nikhil Ranjan; Paul, Suvendu; Drew, Michael G. B.; Chakrabarti, Syamal","The vital role of ditopic N‒N bridging ligands with different lengths in the formation of new binuclear dioxomolybdenum(vi) complexes: synthesis, crystal structures, supramolecular framework and protein binding studies","New Journal of Chemistry","2020","44","38","16645","16664","10.1039/D0NJ03702H","","","0.71073","MoKα","","0.0499","0.0354","","","0.0804","0.0872","","","","","","1.013","","","","has coordinates","258940","2020-11-06","12:51:54",""
"7060001","11.0645","0.001","11.1077","0.0014","13.1366","0.0013","69.636","0.01","65.582","0.009","66.708","0.01","1317","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H34 Br2 Cl6 Mo2 N6 O6 S4 -","- C44 H34 Br2 Cl6 Mo2 N6 O6 S4 -","- C44 H34 Br2 Cl6 Mo2 N6 O6 S4 -","1","0.5","","Biswal, Debanjana; Roy, Malini; Pramanik, Nikhil Ranjan; Paul, Suvendu; Drew, Michael G. B.; Chakrabarti, Syamal","The vital role of ditopic N‒N bridging ligands with different lengths in the formation of new binuclear dioxomolybdenum(vi) complexes: synthesis, crystal structures, supramolecular framework and protein binding studies","New Journal of Chemistry","2020","44","38","16645","16664","10.1039/D0NJ03702H","","","0.71073","MoKα","","0.1168","0.0695","","","0.1052","0.1238","","","","","","0.981","","","","has coordinates,has disorder","258940","2020-11-06","12:51:54",""
"7060002","12.3179","0.0006","6.6907","0.0003","31.3842","0.0014","90","","100.576","0.002","90","","2542.6","0.2","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C43 H36 Br2 Mo2 N6 O6 S4 -","- C43 H36 Br2 Mo2 N6 O6 S4 -","- C86 H72 Br4 Mo4 N12 O12 S8 -","2","0.5","","Biswal, Debanjana; Roy, Malini; Pramanik, Nikhil Ranjan; Paul, Suvendu; Drew, Michael G. B.; Chakrabarti, Syamal","The vital role of ditopic N‒N bridging ligands with different lengths in the formation of new binuclear dioxomolybdenum(vi) complexes: synthesis, crystal structures, supramolecular framework and protein binding studies","New Journal of Chemistry","2020","44","38","16645","16664","10.1039/D0NJ03702H","","","0.71073","MoKα","","0.058","0.0385","","","0.0872","0.0946","","","","","","1.019","","","","has coordinates","258940","2020-11-06","12:51:54",""
"7060003","7.0583","0.0005","8.7624","0.0006","22.0421","0.0014","90","","90","","90","","1363.25","0.16","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- Cl6 F H12 N5 O Pt Ru -","- Cl6 F H12 N5 O Pt Ru -","- Cl24 F4 H48 N20 O4 Pt4 Ru4 -","4","1","","Mikhailov, Artem A.; Komarov, Vladislav Yu.; Sukhikh, Aleksandr S.; Pishchur, Denis P.; Schaniel, Dominik; Kostin, Gennadiy A.","The impact of counterion on the metastable state properties of nitrosyl ruthenium complexes","New Journal of Chemistry","2020","44","41","18014","18024","10.1039/D0NJ04436A","","","0.71073","MoKα","","0.0329","0.0251","","","0.034","0.0359","","","","","","1.056","","","","has coordinates","258899","2020-11-06","12:43:42",""
"7060004","8.0038","0.0005","11.8995","0.0005","13.8054","0.0008","70.72","0.002","86.091","0.002","88.04","0.002","1238.12","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- Cl2 F H12 N5 O9 Ru -","- Cl2 F H12 N5 O9 Ru -","- Cl8 F4 H48 N20 O36 Ru4 -","4","2","","Mikhailov, Artem A.; Komarov, Vladislav Yu.; Sukhikh, Aleksandr S.; Pishchur, Denis P.; Schaniel, Dominik; Kostin, Gennadiy A.","The impact of counterion on the metastable state properties of nitrosyl ruthenium complexes","New Journal of Chemistry","2020","44","41","18014","18024","10.1039/D0NJ04436A","","","0.71073","MoKα","","0.0586","0.0385","","","0.0988","0.1088","","","","","","1.08","","","","has coordinates","258899","2020-11-06","12:43:42",""
"7060005","11.61","0.003","14.082","0.004","20.183","0.006","99.021","0.005","94.705","0.005","110.29","0.005","3023.4","1.5","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H35 Cu Mo12 N15 O42 P -","- C30 H35 Cu Mo12 N15 O42 P -","- C60 H70 Cu2 Mo24 N30 O84 P2 -","2","1","","Zhang, Baoyue; Ying, Jun; Zhang, Xinyue; Wang, Chen; Tian, Aixiang","Five Keggin-based compounds modified by bis- and mono-[1,3,4]triazole ligands: characterization, and selective photocatalytic and electrochemical properties","New Journal of Chemistry","2020","44","41","18074","18083","10.1039/D0NJ03485A","","","0.71073","MoKα","","0.0918","0.0563","","","0.133","0.1555","","","","","","1.027","","","","has coordinates","258896","2020-11-06","12:43:01",""
"7060006","16.31","0.005","21.462","0.005","22.041","0.005","90","","101.026","0.005","90","","7573","3","293.15","","293.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H45 Cu4 N12 O46.5 Si W12 -","- C36 H45 Cu4 N12 O46.5 Si W12 -","- C144 H180 Cu16 N48 O186 Si4 W48 -","4","0.5","","Zhang, Baoyue; Ying, Jun; Zhang, Xinyue; Wang, Chen; Tian, Aixiang","Five Keggin-based compounds modified by bis- and mono-[1,3,4]triazole ligands: characterization, and selective photocatalytic and electrochemical properties","New Journal of Chemistry","2020","44","41","18074","18083","10.1039/D0NJ03485A","","","0.71069","MoKα","","0.0661","0.0387","","","0.0935","0.1056","","","","","","1.016","","","","has coordinates,has disorder","258896","2020-11-06","12:43:01",""
"7060007","16.5772","0.001","20.5702","0.001","20.9666","0.0011","90","","90","","90","","7149.5","0.7","296.15","","296.15","","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C36 H41 Cl Cu3 N18 O43 Si W12 -","- C36 H41 Cl Cu3 N18 O43 Si W12 -","- C144 H164 Cl4 Cu12 N72 O172 Si4 W48 -","4","0.25","","Zhang, Baoyue; Ying, Jun; Zhang, Xinyue; Wang, Chen; Tian, Aixiang","Five Keggin-based compounds modified by bis- and mono-[1,3,4]triazole ligands: characterization, and selective photocatalytic and electrochemical properties","New Journal of Chemistry","2020","44","41","18074","18083","10.1039/D0NJ03485A","","","0.71073","MoKα","","0.0615","0.034","","","0.0624","0.0709","","","","","","1.072","","","","has coordinates,has disorder","258896","2020-11-06","12:43:01",""
"7060008","11.6599","0.001","14.124","0.0012","20.5224","0.0018","98.765","0.002","95.235","0.002","110.197","0.002","3096.9","0.5","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H37 Cu N15 O43 P W12 -","- C30 H37 Cu N15 O43 P W12 -","- C60 H74 Cu2 N30 O86 P2 W24 -","2","1","","Zhang, Baoyue; Ying, Jun; Zhang, Xinyue; Wang, Chen; Tian, Aixiang","Five Keggin-based compounds modified by bis- and mono-[1,3,4]triazole ligands: characterization, and selective photocatalytic and electrochemical properties","New Journal of Chemistry","2020","44","41","18074","18083","10.1039/D0NJ03485A","","","0.71073","MoKα","","0.0923","0.0487","","","0.0795","0.093","","","","","","0.984","","","","has coordinates","258896","2020-11-06","12:43:01",""
"7060009","15.9377","0.0009","15.5396","0.0008","21.5233","0.0012","90","","109.338","0.001","90","","5029.8","0.5","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Cu Mo12 N8 O41 P -","- C20 H26.9998 Cu Mo12 N8 O41 P -","- C80 H107.999 Cu4 Mo48 N32 O164 P4 -","4","1","","Zhang, Baoyue; Ying, Jun; Zhang, Xinyue; Wang, Chen; Tian, Aixiang","Five Keggin-based compounds modified by bis- and mono-[1,3,4]triazole ligands: characterization, and selective photocatalytic and electrochemical properties","New Journal of Chemistry","2020","44","41","18074","18083","10.1039/D0NJ03485A","","","0.71073","MoKα","","0.0379","0.0299","","","0.0646","0.0689","","","","","","1.153","","","","has coordinates,has disorder","258896","2020-11-06","12:43:01",""
"7060010","5.15876","0.00006","20.4115","0.0003","16.5822","0.0002","90","","96.4856","0.0012","90","","1734.9","0.04","100","2","100","2","","","","","","","Pyrene","4","P 1 21/c 1","-P 2ybc","14","","5-(4,5-bis(methylthio)-1,3-dithiol-2-ylidene)pyren-4(5H)-one","","- C21 H14 O S4 -","- C21 H14 O S4 -","- C84 H56 O4 S16 -","4","1","","Shahrokhi, Farshid; Fazli Estabragh, Roxana; Zhao, Yuming","Synthesis and comparative studies of K-region functionalized pyrene derivatives","New Journal of Chemistry","2020","44","39","16786","16794","10.1039/D0NJ03897K","","x-ray","1.54184","CuKα","","0.0427","0.0391","","","0.1045","0.1067","","","","","","1.032","","","","has coordinates","258909","2020-11-06","12:45:32",""
"7060011","3.88283","0.00004","18.7525","0.00017","17.4959","0.0002","90","","92.4372","0.001","90","","1272.77","0.02","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(dibromomethylene)pyren-4(5H)-one","","- C17 H8 Br2 O -","- C17 H8 Br2 O -","- C68 H32 Br8 O4 -","4","1","","Shahrokhi, Farshid; Fazli Estabragh, Roxana; Zhao, Yuming","Synthesis and comparative studies of K-region functionalized pyrene derivatives","New Journal of Chemistry","2020","44","39","16786","16794","10.1039/D0NJ03897K","","x-ray","1.54184","CuKα","","0.0303","0.0277","","","0.072","0.0736","","","","","","1.088","","","","has coordinates","258909","2020-11-06","12:45:32",""
"7060012","14.9879","0.0007","4.967","0.0001","18.9991","0.0007","90","","105.932","0.004","90","","1360.06","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","ethyl 5-hydroxypyrene-4-carboxylate","","- C19 H14 O3 -","- C19 H14 O3 -","- C76 H56 O12 -","4","1","","Shahrokhi, Farshid; Fazli Estabragh, Roxana; Zhao, Yuming","Synthesis and comparative studies of K-region functionalized pyrene derivatives","New Journal of Chemistry","2020","44","39","16786","16794","10.1039/D0NJ03897K","","x-ray","1.54184","CuKα","","0.071","0.0641","","","0.1896","0.1968","","","","","","1.081","","","","has coordinates","258909","2020-11-06","12:45:32",""
"7060013","8.1386","0.0001","23.0128","0.0004","12.3047","0.0002","90","","96.063","0.001","90","","2291.68","0.06","180.15","","180.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Cl2 N7 O Pd S4 -","- C15 H19 Cl2 N7 O Pd S4 -","- C60 H76 Cl8 N28 O4 Pd4 S16 -","4","1","","Heidari, Leila; Ghassemzadeh, Mitra; Fenske, Dieter; Fuhr, Olaf; Saeidifar, Maryam; Mohsenzadeh, Farshid","Unprecedented palladium(ii) complex containing dipodal 1,3,4-thiadiazole derivatives: synthesis, structure, and biological and thermal investigations","New Journal of Chemistry","2020","44","39","16769","16775","10.1039/D0NJ02918A","","x-ray","1.34143","GaKα","","0.0301","0.0279","","","0.0756","0.077","","","","","","1.024","","","","has coordinates","258914","2020-11-06","12:46:38",""
"7060014","14.4727","0.0006","19.6943","0.0009","16.4655","0.0007","90","","90.532","0.002","90","","4693","0.4","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H95 Gd6 N11 O34 -","- C62 H78 Gd6 N8 O32 -","- C124 H156 Gd12 N16 O64 -","2","0.5","","Wang, Wen-Min; Xue, Cai-Long; Jing, Ru-Yi; Ma, Xin; Yang, Lu-Na; Luo, Shu-Chang; Wu, Zhi-Lei","Two hexanuclear lanthanide Ln6III clusters featuring remarkable magnetocaloric effect and slow magnetic relaxation behavior","New Journal of Chemistry","2020","44","41","18025","18030","10.1039/D0NJ03442H","","","0.71073","MoKα","","0.0531","0.0367","","","0.0901","0.0998","","","","","","1.049","","","","has coordinates","258900","2020-11-06","12:43:50",""
"7060015","14.2565","0.0006","14.3411","0.0007","14.4407","0.0007","91.697","0.003","114.999","0.002","116.737","0.002","2300","0.2","150","2","149.99","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H95 Dy6 N11 O34 -","- C62 H78 Dy6 N8 O32 -","- C62 H78 Dy6 N8 O32 -","1","0.5","","Wang, Wen-Min; Xue, Cai-Long; Jing, Ru-Yi; Ma, Xin; Yang, Lu-Na; Luo, Shu-Chang; Wu, Zhi-Lei","Two hexanuclear lanthanide Ln6III clusters featuring remarkable magnetocaloric effect and slow magnetic relaxation behavior","New Journal of Chemistry","2020","44","41","18025","18030","10.1039/D0NJ03442H","","","0.71073","MoKα","","0.057","0.0404","","","0.1034","0.1134","","","","","","1.041","","","","has coordinates,has disorder","258900","2020-11-06","12:43:51",""
"7060016","8.639","0.002","14.006","0.004","8.727","0.003","90","","90","","90","","1055.9","0.5","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H17 N O3 -","- C9 H17 N O3 -","- C36 H68 N4 O12 -","4","1","","Poojith, Nuthalapati; Potla, Krishna Murthy; Osório, Francisco A. P.; Valverde, Clodoaldo; Vankayalapati, Suneetha; Suchetan, P. A.; Raja, M.","Y-shaped potential third-order nonlinear optical material ‒ 3-(2-amino-2-oxoethyl)-5-methyl hexanoic acid: an analysis of structural, spectroscopic and docking studies","New Journal of Chemistry","2020","44","42","18185","18198","10.1039/D0NJ02658A","","","0.71073","MoKα","","0.1609","0.0833","","","0.2027","0.2546","","","","","","1.027","","","","has coordinates","258901","2020-11-06","12:44:05",""
"7060017","22.5056","0.0013","9.8715","0.0004","20.6103","0.0009","90","","116.551","0.002","90","","4096","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H41 B2 F8 Fe4 N3 S2 -","- C38 H41 B2 F8 Fe4 N3 S2 -","- C152 H164 B8 F32 Fe16 N12 S8 -","4","1","","Huang, Yen-Chung; Lan, Wan-Yu; Ching, Wei-Min; Hsu, Sodio C. N.","Formation of iron(iii)‒thiolate metallocyclophane using a ferrocene-based bis-isocyanide","New Journal of Chemistry","2020","44","42","18242","18249","10.1039/D0NJ03967E","","","0.71073","MoKα","","0.1469","0.0926","","","0.2032","0.2372","","","","","","1.028","","","","has coordinates,has disorder","258902","2020-11-06","12:44:14",""
"7060018","9.076","0.005","8.347","0.004","13.309","0.009","90","","108.19","0.02","90","","957.9","1","199.99","","199.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Fe N2 O -","- C12 H10 Fe N2 O -","- C48 H40 Fe4 N8 O4 -","4","0.5","","Huang, Yen-Chung; Lan, Wan-Yu; Ching, Wei-Min; Hsu, Sodio C. N.","Formation of iron(iii)‒thiolate metallocyclophane using a ferrocene-based bis-isocyanide","New Journal of Chemistry","2020","44","42","18242","18249","10.1039/D0NJ03967E","","","0.71073","MoKα","","0.0979","0.0736","","","0.1978","0.2183","","","","","","1.199","","","","has coordinates,has disorder","258902","2020-11-06","12:44:14",""
"7060019","10.1086","0.0003","10.8254","0.0003","28.7588","0.0007","90","","94.881","0.001","90","","3135.65","0.15","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 B2 F8 Fe3 N2 S2 -","- C28 H32 B2 F8 Fe3 N2 S2 -","- C112 H128 B8 F32 Fe12 N8 S8 -","4","1","","Huang, Yen-Chung; Lan, Wan-Yu; Ching, Wei-Min; Hsu, Sodio C. N.","Formation of iron(iii)‒thiolate metallocyclophane using a ferrocene-based bis-isocyanide","New Journal of Chemistry","2020","44","42","18242","18249","10.1039/D0NJ03967E","","","0.71073","MoKα","","0.0581","0.049","","","0.1222","0.1312","","","","","","1.019","","","","has coordinates","258902","2020-11-06","12:44:14",""
"7060020","11.5185","0.0017","10.026","0.0015","14.789","0.002","90","","94.878","0.007","90","","1701.7","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 N16 O2 Zn2 -","- C28 H40 N16 O2 Zn2 -","- C56 H80 N32 O4 Zn4 -","2","0.5","","Das, Manik; Mukherjee, Somali; Koley, Biplab; Choudhuri, Indranil; Bhattacharyya, Nandan; Roy, Pritam; Samanta, Bidhan Chandra; Barai, Manas; Maity, Tithi","Developing novel zinc(ii) and copper(ii) Schiff base complexes: combined experimental and theoretical investigation on their DNA/protein binding efficacy and anticancer activity","New Journal of Chemistry","2020","44","42","18347","18361","10.1039/D0NJ03844J","","","0.71073","MoKα","","0.0447","0.03","","","0.0736","0.0831","","","","","","1.041","","","","has coordinates","258904","2020-11-06","12:44:42",""
"7060021","11.1959","0.0003","11.1959","0.0003","48.749","0.003","90","","90","","90","","6110.6","0.4","296","2","296.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C14 H19 Cu N5 O -","- C14 H19 Cu N5 O -","- C224 H304 Cu16 N80 O16 -","16","2","","Das, Manik; Mukherjee, Somali; Koley, Biplab; Choudhuri, Indranil; Bhattacharyya, Nandan; Roy, Pritam; Samanta, Bidhan Chandra; Barai, Manas; Maity, Tithi","Developing novel zinc(ii) and copper(ii) Schiff base complexes: combined experimental and theoretical investigation on their DNA/protein binding efficacy and anticancer activity","New Journal of Chemistry","2020","44","42","18347","18361","10.1039/D0NJ03844J","","","0.71073","MoKα","","0.1007","0.0425","","","0.0791","0.1031","","","","","","1.058","","","","has coordinates","258904","2020-11-06","12:44:43",""
"7060022","10.7418","0.0004","11.1986","0.0004","11.7876","0.0005","62.45","0.002","75.279","0.002","88.851","0.002","1208.03","0.09","123","","123","","","","","","","","","4","P -1","-P 1","2","","AG5-3","","- C27 H20 P2 S3 -","- C27 H20 P2 S3 -","- C54 H40 P4 S6 -","2","1","","Gese, A.; Akter, M.; Schnakenburg, G.; García Alcaraz, A.; Espinosa Ferao, A.; Streubel, R.","P-Functionalized tetrathiafulvalenes from 1,3-dithiole-2-thiones?","New Journal of Chemistry","2020","44","39","17122","17128","10.1039/D0NJ02984J","","x-ray","1.54178","CuKα","","0.0452","0.0408","","","0.1103","0.1142","","","","","","1.035","","","","has coordinates","258907","2020-11-06","12:45:06",""
"7060023","8.9993","0.0005","21.0026","0.0009","9.2456","0.0005","90","","118.641","0.004","90","","1533.68","0.15","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","AG-174-8","","- C15 H11 O P S3 -","- C15 H11 O P S3 -","- C60 H44 O4 P4 S12 -","4","1","","Gese, A.; Akter, M.; Schnakenburg, G.; García Alcaraz, A.; Espinosa Ferao, A.; Streubel, R.","P-Functionalized tetrathiafulvalenes from 1,3-dithiole-2-thiones?","New Journal of Chemistry","2020","44","39","17122","17128","10.1039/D0NJ02984J","","","0.71073","MoKα","","0.0381","0.0267","","","0.0656","0.0677","","","","","","0.94","","","","has coordinates","258907","2020-11-06","12:45:07",""
"7060024","72.7","0.003","7.1925","0.0003","6.0961","0.0003","90","","90","","90","","3187.6","0.2","123","","123","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C39 H40 O4 -","- C39 H40 O4 -","- C156 H160 O16 -","4","0.5","","Arakawa, Yuki; Sasaki, Shunsuke; Igawa, Kazunobu; Tokita, Masatoshi; Konishi, Gen-ichi; Tsuji, Hideto","Birefringence and photoluminescence properties of diphenylacetylene-based liquid crystal dimers","New Journal of Chemistry","2020","44","40","17531","17541","10.1039/D0NJ04426A","","","1.54187","CuKα","","0.0548","0.0455","","","0.0897","0.0934","","","","","","1.085","","","","has coordinates","258916","2020-11-06","12:47:15",""
"7060025","7.4224","0.0012","14.193","0.002","17.094","0.003","99.987","0.006","100.884","0.006","103.517","0.006","1674.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 N O5 P -","- C14 H18 N O5 P -","- C56 H72 N4 O20 P4 -","4","2","","Imrankhan, Mohammed; Shivashankar, Kalegowda","Iodine catalyzed one-pot four component synthesis of coumarinyl phosphoramidates via sequential addition of reactants","New Journal of Chemistry","2020","44","43","18573","18578","10.1039/D0NJ04445H","","","0.71073","MoKα","","0.1576","0.1381","","","0.418","0.4399","","","","","","1.949","","","","has coordinates","292638","2024-06-28","09:33:35",""
"7060026","15.517","0.003","18.889","0.004","15.309","0.003","90","","112.25","0.03","90","","4153","1.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H40 Fe I N O8 P2 -","- C43 H40 Fe I N O8 P2 -","- C172 H160 Fe4 I4 N4 O32 P8 -","4","1","","Song, Li-Cheng; Chen, Wei; Zhu, Liang; Hu, Fu-Qiang; Jiang, Kai-Yu","Synthesis, characterization, and some properties of two types of new [Fe]-H2ase models containing a 4-phosphatopyridine or a 4-phosphatoguanosinepyridine moiety","New Journal of Chemistry","2020","44","42","18496","18507","10.1039/D0NJ04194G","","","0.71073","MoKα","","0.0783","0.063","","","0.1377","0.1472","","","","","","1.167","","","","has coordinates","258906","2020-11-06","12:44:59",""
"7060027","8.2237","0.0004","10.2873","0.0005","11.9807","0.0005","94.416","0.004","100.835","0.004","107.189","0.004","941.49","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Fe N2 O6 S -","- C18 H20 Fe N2 O6 S -","- C36 H40 Fe2 N4 O12 S2 -","2","1","","Song, Li-Cheng; Chen, Wei; Zhu, Liang; Hu, Fu-Qiang; Jiang, Kai-Yu","Synthesis, characterization, and some properties of two types of new [Fe]-H2ase models containing a 4-phosphatopyridine or a 4-phosphatoguanosinepyridine moiety","New Journal of Chemistry","2020","44","42","18496","18507","10.1039/D0NJ04194G","","x-ray","0.71073","MoKα","","0.0308","0.0286","","","0.0731","0.0744","","","","","","1.034","","","","has coordinates","258906","2020-11-06","12:44:59",""
"7060028","12.9853","0.0014","15.2882","0.0017","15.6326","0.0016","92.521","0.004","110.391","0.004","113.893","0.004","2596.9","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H108 I8 Mo6 N20 O24 -","- C68 H108 I8 Mo6 N20 O24 -","- C68 H108 I8 Mo6 N20 O24 -","1","0.5","","Mironova, Alina D.; Mikhailov, Maksim A.; Brylev, Konstantin A.; Gushchin, Artem L.; Sukhikh, Taisiya S.; Sokolov, Maxim N.","Phosphorescent complexes of {Mo6I8}4+ with triazolates: [2+3] cycloaddition of alkynes to [Mo6I8(N3)6]2−","New Journal of Chemistry","2020","44","47","20620","20625","10.1039/D0NJ04259E","","","0.71073","MoKα","","0.0581","0.0347","","","0.0815","0.0948","","","","","","1.032","","","","has coordinates,has disorder","260803","2021-01-07","06:48:29",""
"7060029","8.5498","0.0002","12.3492","0.0004","16.6921","0.0005","90","","90","","90","","1762.41","0.09","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 F6 N S -","- C18 H15 F6 N S -","- C72 H60 F24 N4 S4 -","4","1","","Attanayake, N. Harsha; Kaur, Aman Preet; Suduwella, T. Malsha; Elliott, Corrine F.; Parkin, Sean R.; Odom, Susan A.","A stable, highly oxidizing radical cation","New Journal of Chemistry","2020","44","42","18138","18148","10.1039/D0NJ04434B","","","0.71073","MoKα","","0.0566","0.043","","","0.1049","0.1096","","","","","","1.069","","","","has coordinates,has disorder","258905","2020-11-06","12:44:51",""
"7060030","16.2737","0.0004","14.3408","0.0003","9.2087","0.0002","90","","90","","90","","2149.11","0.08","90","0.2","90","0.2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H17 Cl6 N S Sb -","- C16 H17 Cl6 N S Sb -","- C64 H68 Cl24 N4 S4 Sb4 -","4","0.5","","Attanayake, N. Harsha; Kaur, Aman Preet; Suduwella, T. Malsha; Elliott, Corrine F.; Parkin, Sean R.; Odom, Susan A.","A stable, highly oxidizing radical cation","New Journal of Chemistry","2020","44","42","18138","18148","10.1039/D0NJ04434B","","","0.71073","MoKα","","0.0136","0.0129","","","0.0319","0.0322","","","","","","1.189","","","","has coordinates,has disorder","258905","2020-11-06","12:44:52",""
"7060031","19.1219","0.0005","20.2953","0.0005","13.6777","0.0003","90","","90","","90","","5308.1","0.2","90","0.2","90","0.2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C37 H32 Cl14 F12 N2 S2 Sb2 -","- C37 H32 Cl14 F12 N2 S2 Sb2 -","- C148 H128 Cl56 F48 N8 S8 Sb8 -","4","0.5","","Attanayake, N. Harsha; Kaur, Aman Preet; Suduwella, T. Malsha; Elliott, Corrine F.; Parkin, Sean R.; Odom, Susan A.","A stable, highly oxidizing radical cation","New Journal of Chemistry","2020","44","42","18138","18148","10.1039/D0NJ04434B","","","0.71073","MoKα","","0.0601","0.033","","","0.0603","0.0679","","","","","","1.022","","","","has coordinates","258905","2020-11-06","12:44:52",""
"7060032","9.2759","0.0001","9.5607","0.0001","12.5247","0.0002","76.2187","0.0005","87.2025","0.0005","81.9614","0.0005","1068.03","0.02","90","0.2","90","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H17 Cl6 N S Sb -","- C16 H17 Cl6 N S Sb -","- C32 H34 Cl12 N2 S2 Sb2 -","2","1","","Attanayake, N. Harsha; Kaur, Aman Preet; Suduwella, T. Malsha; Elliott, Corrine F.; Parkin, Sean R.; Odom, Susan A.","A stable, highly oxidizing radical cation","New Journal of Chemistry","2020","44","42","18138","18148","10.1039/D0NJ04434B","","","0.71073","MoKα","","0.0259","0.0227","","","0.0518","0.0539","","","","","","1.054","","","","has coordinates,has disorder","258905","2020-11-06","12:44:52",""
"7060033","8.222","0.0012","10.7213","0.0015","12.7485","0.0019","101.309","0.003","92.147","0.003","108.191","0.003","1041","0.3","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N4 Ni O6 -","- C22 H18 N4 Ni O6 -","- C44 H36 N8 Ni2 O12 -","2","1","","Olawale, Margaret D.; Obaleye, Joshua O.; Oladele, Ebenezer O.","Solvothermal synthesis and characterization of novel [Ni(ii)(Tpy)(Pydc)]·2H2O metal‒organic framework as an adsorbent for the uptake of caffeine drug from aqueous solution","New Journal of Chemistry","2020","44","43","18780","18791","10.1039/D0NJ04316H","","","0.71073","MoKα","","0.0746","0.0544","","","0.1119","","","","","","","1.0303","","","","has coordinates","259611","2020-12-06","14:31:47",""
"7060034","8.0871","0.0005","8.3785","0.0005","16.9875","0.001","98.318","0.003","91.468","0.003","105.343","0.003","1095.87","0.12","305","2","305.2","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 N3 O4 S -","- C24 H23 N3 O4 S -","- C48 H46 N6 O8 S2 -","2","1","","Aydıner, Burcu; Şahin, Ömer; Çakmaz, Deniz; Kaplan, Gökhan; Kaya, Kerem; Özdemir, Ümmühan Özmen; Seferoğlu, Nurgül; Seferoğlu, Zeynel","A highly sensitive and selective fluorescent turn-on chemosensor bearing a 7-diethylaminocoumarin moiety for the detection of cyanide in organic and aqueous solutions","New Journal of Chemistry","2020","44","44","19155","19165","10.1039/D0NJ03003A","","","0.71073","MoKα","","0.0548","0.0391","","","0.0969","0.1079","","","","","","1.036","","","","has coordinates,has disorder","259609","2020-12-06","14:31:14",""
"7060035","7.6487","0.0014","8.7524","0.0014","20.607","0.003","94.791","0.007","100.141","0.007","109.862","0.007","1261.8","0.4","301","2","311.4","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 N4 O3 S -","- C27 H30 N4 O3 S -","- C54 H60 N8 O6 S2 -","2","1","","Aydıner, Burcu; Şahin, Ömer; Çakmaz, Deniz; Kaplan, Gökhan; Kaya, Kerem; Özdemir, Ümmühan Özmen; Seferoğlu, Nurgül; Seferoğlu, Zeynel","A highly sensitive and selective fluorescent turn-on chemosensor bearing a 7-diethylaminocoumarin moiety for the detection of cyanide in organic and aqueous solutions","New Journal of Chemistry","2020","44","44","19155","19165","10.1039/D0NJ03003A","","","0.71073","MoKα","","0.0617","0.0463","","","0.1256","0.1364","","","","","","1.05","","","","has coordinates,has disorder","259609","2020-12-06","14:31:14",""
"7060036","8.479","0.0007","10.8451","0.0008","12.147","0.001","75.707","0.004","89.516","0.004","72.029","0.003","1026.82","0.14","304","2","303.8","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N3 O3 S -","- C23 H21 N3 O3 S -","- C46 H42 N6 O6 S2 -","2","1","","Aydıner, Burcu; Şahin, Ömer; Çakmaz, Deniz; Kaplan, Gökhan; Kaya, Kerem; Özdemir, Ümmühan Özmen; Seferoğlu, Nurgül; Seferoğlu, Zeynel","A highly sensitive and selective fluorescent turn-on chemosensor bearing a 7-diethylaminocoumarin moiety for the detection of cyanide in organic and aqueous solutions","New Journal of Chemistry","2020","44","44","19155","19165","10.1039/D0NJ03003A","","","0.71073","MoKα","","0.0851","0.0457","","","0.1043","0.119","","","","","","1.0181","","","","has coordinates","259609","2020-12-06","14:31:14",""
"7060037","8.9999","0.0004","14.0341","0.0006","14.6499","0.0007","112.751","0.004","101.584","0.004","98.038","0.004","1622.47","0.15","290","","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H28 Cl2 N10 O4 Ru -","- C25 H22 Cl2 N8 O4 Ru -","- C50 H44 Cl4 N16 O8 Ru2 -","2","1","","Giri, Bishnubasu; Kumbhakar, Sadananda; Selvan K, Kalai; Muley, Arabinda; Maji, Somnath","Ruthenium nitrosyl complexes with the molecular framework [RuII(dmdptz)(bpy)(NO)]n+ (dmdptz: N,N-dimethyl-4,6-di(pyridin-2-yl)-1,3,5-triazin-2-amine and bpy: 2,2′-bipyridine). Electronic structure, reactivity aspects, photorelease, and scavenging of NO","New Journal of Chemistry","2020","44","43","18732","18744","10.1039/D0NJ03923C","","","0.71073","MoKα","","0.0639","0.0461","","","0.0956","0.1073","","","","","","1.008","","","","has coordinates,has disorder","259614","2020-12-06","14:32:06",""
"7060038","22.621","0.003","10.9659","0.0014","14.998","0.002","90","","102.13","0.016","90","","3637.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Cl3 N9 O13 Ru -","- C25 H22 Cl3 N9 O13 Ru -","- C100 H88 Cl12 N36 O52 Ru4 -","4","1","","Giri, Bishnubasu; Kumbhakar, Sadananda; Selvan K, Kalai; Muley, Arabinda; Maji, Somnath","Ruthenium nitrosyl complexes with the molecular framework [RuII(dmdptz)(bpy)(NO)]n+ (dmdptz: N,N-dimethyl-4,6-di(pyridin-2-yl)-1,3,5-triazin-2-amine and bpy: 2,2′-bipyridine). Electronic structure, reactivity aspects, photorelease, and scavenging of NO","New Journal of Chemistry","2020","44","43","18732","18744","10.1039/D0NJ03923C","","x-ray","0.71073","MoKα","","0.2722","0.1722","","","0.4224","0.4846","","","","","","1.168","","","","has coordinates","259614","2020-12-06","14:32:06",""
"7060039","16.07395","0.00018","16.71663","0.00017","20.7947","0.0002","90","","90","","90","","5587.58","0.1","290","","290","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H24 Cl N9 O7 Ru -","- C25 H24 Cl N9 O7 Ru -","- C200 H192 Cl8 N72 O56 Ru8 -","8","1","","Giri, Bishnubasu; Kumbhakar, Sadananda; Selvan K, Kalai; Muley, Arabinda; Maji, Somnath","Ruthenium nitrosyl complexes with the molecular framework [RuII(dmdptz)(bpy)(NO)]n+ (dmdptz: N,N-dimethyl-4,6-di(pyridin-2-yl)-1,3,5-triazin-2-amine and bpy: 2,2′-bipyridine). Electronic structure, reactivity aspects, photorelease, and scavenging of NO","New Journal of Chemistry","2020","44","43","18732","18744","10.1039/D0NJ03923C","","x-ray","1.54184","CuKα","","0.0413","0.038","","","0.1037","0.1078","","","","","","1.049","","","","has coordinates","298703","2025-04-03","05:34:16",""
"7060040","21.587","0.004","22.499","0.005","40.093","0.008","89.68","0.03","80.68","0.03","73.87","0.03","18443","7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C180 H222 Cl4.16 N120 O88 Y4 -","- C180 H222 Cl4.1664 N120 O88 Y4 -","- C360 H444 Cl8.3328 N240 O176 Y8 -","2","1","","Zhang, Yingjie; Liu, Ming; Karatchevtseva, Inna; Price, Jason R.; Tao, Zhu; Wei, Gang","Yttrium and lanthanide (Ln = La and Gd) complexes with cucurbit[10]uril: crystals transforming from supramolecular frameworks to coordination nanotubes","New Journal of Chemistry","2020","44","42","18208","18215","10.1039/D0NJ03962D","","","0.71077","silicondoublecrystalmonochromatedsynchrotron","","0.1432","0.1037","","","0.3015","0.3386","","","","","","1.09","","","","has coordinates","258903","2020-11-06","12:44:33",""
"7060041","37.033","0.007","10.727","0.002","22.432","0.005","90","","125.08","0.03","90","","7292","4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C60 H60 Cl10 La4.12 N40 O48 -","- C60 H60 Cl10 La4.125 N40 O48 -","- C120 H120 Cl20 La8.25 N80 O96 -","2","0.25","","Zhang, Yingjie; Liu, Ming; Karatchevtseva, Inna; Price, Jason R.; Tao, Zhu; Wei, Gang","Yttrium and lanthanide (Ln = La and Gd) complexes with cucurbit[10]uril: crystals transforming from supramolecular frameworks to coordination nanotubes","New Journal of Chemistry","2020","44","42","18208","18215","10.1039/D0NJ03962D","","","0.71078","silicondoublecrystalmonochromatedsynchrotron","","0.0682","0.0649","","","0.1915","0.1958","","","","","","1.035","","","","has coordinates","258903","2020-11-06","12:44:34",""
"7060042","10.683","0.002","22.045","0.004","31.292","0.006","90","","90","","90","","7369","2","100","2","100","2","","","","","","","","6","I m m m","-I 2 2","71","","","","- C60 H60 Cl12 Gd5 N40 O40 -","- C60 H60 Cl12 Gd5 N40 O40 -","- C120 H120 Cl24 Gd10 N80 O80 -","2","0.125","","Zhang, Yingjie; Liu, Ming; Karatchevtseva, Inna; Price, Jason R.; Tao, Zhu; Wei, Gang","Yttrium and lanthanide (Ln = La and Gd) complexes with cucurbit[10]uril: crystals transforming from supramolecular frameworks to coordination nanotubes","New Journal of Chemistry","2020","44","42","18208","18215","10.1039/D0NJ03962D","","","0.71078","silicondoublecrystalmonochromatedsynchrotron","","0.0895","0.0891","","","0.2892","0.2898","","","","","","1.163","","","","has coordinates","258903","2020-11-06","12:44:34",""
"7060043","33.038","0.007","21.726","0.004","21.221","0.004","90","","108.71","0.03","90","","14427","6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H64 Cl10 N40 O49 Y6 -","- C60 H64 Cl10 N40 O49 Y6 -","- C240 H256 Cl40 N160 O196 Y24 -","4","0.5","","Zhang, Yingjie; Liu, Ming; Karatchevtseva, Inna; Price, Jason R.; Tao, Zhu; Wei, Gang","Yttrium and lanthanide (Ln = La and Gd) complexes with cucurbit[10]uril: crystals transforming from supramolecular frameworks to coordination nanotubes","New Journal of Chemistry","2020","44","42","18208","18215","10.1039/D0NJ03962D","","","0.71085","silicondoublecrystalmonochromatedsynchrotron","","0.1159","0.1081","","","0.308","0.3187","","","","","","1.104","","","","has coordinates,has disorder","258903","2020-11-06","12:44:34",""
"7060044","14.5006","0.0008","15.8759","0.0009","20.668","0.001","86.265","0.002","74.635","0.002","89.297","0.003","4578.1","0.4","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H97 N12 O33 Sm5 -","- C71 H85 N12 O30 Sm5 -","- C142 H170 N24 O60 Sm10 -","2","1","","Wang, Wen-Min; Zhang, Tian-Tian; Wang, Dan; Cui, Jian-Zhong","Structures and magnetic properties of novel Ln(iii)-based pentanuclear clusters: magnetic refrigeration and single-molecule magnet behavior","New Journal of Chemistry","2020","44","44","19351","19359","10.1039/D0NJ04469E","","","0.71073","MoKα","","0.0675","0.0411","","","0.0996","0.117","","","","","","1.006","","","","has coordinates","259610","2020-12-06","14:31:28",""
"7060045","14.2798","0.001","15.9898","0.001","20.7864","0.0014","77.62","0.003","76.363","0.003","89.378","0.003","4501.2","0.5","150","2","149.99","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H97 Ho5 N12 O33 -","- C71 H85 Ho5 N12 O30 -","- C142 H170 Ho10 N24 O60 -","2","1","","Wang, Wen-Min; Zhang, Tian-Tian; Wang, Dan; Cui, Jian-Zhong","Structures and magnetic properties of novel Ln(iii)-based pentanuclear clusters: magnetic refrigeration and single-molecule magnet behavior","New Journal of Chemistry","2020","44","44","19351","19359","10.1039/D0NJ04469E","","","0.71073","MoKα","","0.0998","0.0547","","","0.1352","0.1629","","","","","","1.013","","","","has coordinates","259610","2020-12-06","14:31:28",""
"7060046","14.5063","0.0008","15.7926","0.0007","20.4639","0.0011","86.282","0.002","74.652","0.003","89.702","0.003","4511.1","0.4","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H97 N12 O33 Tb5 -","- C71 H85 N12 O30 Tb5 -","- C142 H170 N24 O60 Tb10 -","2","1","","Wang, Wen-Min; Zhang, Tian-Tian; Wang, Dan; Cui, Jian-Zhong","Structures and magnetic properties of novel Ln(iii)-based pentanuclear clusters: magnetic refrigeration and single-molecule magnet behavior","New Journal of Chemistry","2020","44","44","19351","19359","10.1039/D0NJ04469E","","","0.71073","MoKα","","0.0697","0.04","","","0.0932","0.1084","","","","","","1.039","","","","has coordinates","259610","2020-12-06","14:31:28",""
"7060047","14.4897","0.0008","15.7568","0.0008","20.4136","0.0009","86.306","0.002","74.723","0.002","89.679","0.002","4486.3","0.4","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H97 Dy5 N12 O33 -","- C71 H85 Dy5 N12 O30 -","- C142 H170 Dy10 N24 O60 -","2","1","","Wang, Wen-Min; Zhang, Tian-Tian; Wang, Dan; Cui, Jian-Zhong","Structures and magnetic properties of novel Ln(iii)-based pentanuclear clusters: magnetic refrigeration and single-molecule magnet behavior","New Journal of Chemistry","2020","44","44","19351","19359","10.1039/D0NJ04469E","","","0.71073","MoKα","","0.0892","0.0566","","","0.123","0.1436","","","","","","1.015","","","","has coordinates","259610","2020-12-06","14:31:28",""
"7060048","14.5276","0.0009","15.8334","0.001","20.519","0.0012","86.122","0.003","74.422","0.003","89.583","0.003","4535.7","0.5","150","2","150.02","","","","","","","","","6","P -1","-P 1","2","","","","- C75 H98 Cl4 Gd5 N12 O32 -","- C71 H86 Gd5 N12 O30 -","- C142 H172 Gd10 N24 O60 -","2","1","","Wang, Wen-Min; Zhang, Tian-Tian; Wang, Dan; Cui, Jian-Zhong","Structures and magnetic properties of novel Ln(iii)-based pentanuclear clusters: magnetic refrigeration and single-molecule magnet behavior","New Journal of Chemistry","2020","44","44","19351","19359","10.1039/D0NJ04469E","","","0.71073","MoKα","","0.1063","0.055","","","0.1367","0.1647","","","","","","1.037","","","","has coordinates","259610","2020-12-06","14:31:28",""
"7060049","14.5523","0.0008","15.8314","0.0008","20.5584","0.0011","86.228","0.002","74.555","0.003","89.491","0.003","4555.2","0.4","150","2","149.98","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H97 Eu5 N12 O33 -","- C71 H85 Eu5 N12 O30 -","- C142 H170 Eu10 N24 O60 -","2","1","","Wang, Wen-Min; Zhang, Tian-Tian; Wang, Dan; Cui, Jian-Zhong","Structures and magnetic properties of novel Ln(iii)-based pentanuclear clusters: magnetic refrigeration and single-molecule magnet behavior","New Journal of Chemistry","2020","44","44","19351","19359","10.1039/D0NJ04469E","","","0.71073","MoKα","","0.0668","0.0409","","","0.0964","0.1117","","","","","","1.012","","","","has coordinates","259610","2020-12-06","14:31:28",""
"7060050","11.694","0.002","22.071","0.004","11.771","0.003","90","","92.765","0.014","90","","3034.5","1.1","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 N7 O6 P3 -","- C26 H36 N7 O6 P3 -","- C104 H144 N28 O24 P12 -","4","1","","Kızılkaya, Perihan; Şenkuytu, Elif; Davarcı, Derya; Pala, Uğur; Ölçer, Zehra; Yenilmez Çiftçi, Gönül","Novel paraben derivatives of tetracyclic spermine cyclotriphosphazenes: synthesis, characterization and biosensor based DNA interaction analysis","New Journal of Chemistry","2020","44","43","18942","18953","10.1039/D0NJ03908J","","","0.71073","MoKα","","0.2374","0.0955","","","0.2204","0.293","","","","","","1.003","","","","has coordinates","259616","2020-12-06","14:32:18",""
"7060051","11.2161","0.0019","11.9881","0.0018","14.084","0.003","103.269","0.013","100.987","0.013","92.746","0.013","1801","0.6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 N7 O6 P3 -","- C32 H48 N7 O6 P3 -","- C64 H96 N14 O12 P6 -","2","1","","Kızılkaya, Perihan; Şenkuytu, Elif; Davarcı, Derya; Pala, Uğur; Ölçer, Zehra; Yenilmez Çiftçi, Gönül","Novel paraben derivatives of tetracyclic spermine cyclotriphosphazenes: synthesis, characterization and biosensor based DNA interaction analysis","New Journal of Chemistry","2020","44","43","18942","18953","10.1039/D0NJ03908J","","","0.71073","MoKα","","0.1882","0.0861","","","0.1912","0.2448","","","","","","1.018","","","","has coordinates","259616","2020-12-06","14:32:18",""
"7060052","11.39","0.002","11.9524","0.0019","13.398","0.002","94.285","0.011","109.524","0.011","93.3","0.013","1707.7","0.5","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H44 N7 O6 P3 -","- C30 H44 N7 O6 P3 -","- C60 H88 N14 O12 P6 -","2","1","","Kızılkaya, Perihan; Şenkuytu, Elif; Davarcı, Derya; Pala, Uğur; Ölçer, Zehra; Yenilmez Çiftçi, Gönül","Novel paraben derivatives of tetracyclic spermine cyclotriphosphazenes: synthesis, characterization and biosensor based DNA interaction analysis","New Journal of Chemistry","2020","44","43","18942","18953","10.1039/D0NJ03908J","","","0.71073","MoKα","","0.0904","0.0558","","","0.1249","0.1424","","","","","","1.028","","","","has coordinates","259616","2020-12-06","14:32:18",""
"7060053","11.311","0.002","14.748","0.003","15.539","0.003","90","","109.92","0.03","90","","2437","0.9","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Dy N3 O7 -","- C22 H28 Dy N3 O7 -","- C88 H112 Dy4 N12 O28 -","4","1","","Zhang, Xue-Mei; Duan, Yao-Yao; Gao, Hong-Ling; Cui, Jian-Zhong","Solvent-induced single-molecule magnet behavior and near-infrared luminescence properties of rare earth complexes","New Journal of Chemistry","2020","44","44","19135","19143","10.1039/D0NJ03837G","","","0.71073","MoKα","","0.0325","0.0273","","","0.063","0.0655","","","","","","1.101","","","","has coordinates","259606","2020-12-06","14:30:49",""
"7060054","9.0155","0.0018","10.725","0.002","11.835","0.002","89.52","0.03","86.23","0.03","77.98","0.03","1116.8","0.4","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Dy N3 O6 -","- C21 H24 Dy N3 O6 -","- C42 H48 Dy2 N6 O12 -","2","1","","Zhang, Xue-Mei; Duan, Yao-Yao; Gao, Hong-Ling; Cui, Jian-Zhong","Solvent-induced single-molecule magnet behavior and near-infrared luminescence properties of rare earth complexes","New Journal of Chemistry","2020","44","44","19135","19143","10.1039/D0NJ03837G","","","0.71073","MoKα","","0.0373","0.0316","","","0.0669","0.0695","","","","","","1.06","","","","has coordinates","259606","2020-12-06","14:30:49",""
"7060055","11.316","0.002","14.635","0.003","15.54","0.003","90","","110.14","0.03","90","","2416.2","0.9","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 N3 O7 Yb -","- C22 H28 N3 O7 Yb -","- C88 H112 N12 O28 Yb4 -","4","1","","Zhang, Xue-Mei; Duan, Yao-Yao; Gao, Hong-Ling; Cui, Jian-Zhong","Solvent-induced single-molecule magnet behavior and near-infrared luminescence properties of rare earth complexes","New Journal of Chemistry","2020","44","44","19135","19143","10.1039/D0NJ03837G","","","0.71073","MoKα","","0.0376","0.0309","","","0.0686","0.0719","","","","","","1.117","","","","has coordinates","259606","2020-12-06","14:30:49",""
"7060056","11.304","0.002","14.712","0.003","15.521","0.003","90","","110.03","0.03","90","","2425.1","0.9","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Ho N3 O7 -","- C22 H28 Ho N3 O7 -","- C88 H112 Ho4 N12 O28 -","4","1","","Zhang, Xue-Mei; Duan, Yao-Yao; Gao, Hong-Ling; Cui, Jian-Zhong","Solvent-induced single-molecule magnet behavior and near-infrared luminescence properties of rare earth complexes","New Journal of Chemistry","2020","44","44","19135","19143","10.1039/D0NJ03837G","","","0.71073","MoKα","","0.0376","0.031","","","0.0683","0.0718","","","","","","1.075","","","","has coordinates","259606","2020-12-06","14:30:49",""
"7060057","11.312","0.002","14.684","0.003","15.527","0.003","90","","110.12","0.03","90","","2421.7","0.9","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Er N3 O7 -","- C22 H28 Er N3 O7 -","- C88 H112 Er4 N12 O28 -","4","1","","Zhang, Xue-Mei; Duan, Yao-Yao; Gao, Hong-Ling; Cui, Jian-Zhong","Solvent-induced single-molecule magnet behavior and near-infrared luminescence properties of rare earth complexes","New Journal of Chemistry","2020","44","44","19135","19143","10.1039/D0NJ03837G","","","0.71073","MoKα","","0.0365","0.0307","","","0.0672","0.0701","","","","","","1.122","","","","has coordinates","259606","2020-12-06","14:30:49",""
"7060058","11.32","0.002","14.828","0.003","15.511","0.003","90","","109.46","0.03","90","","2454.8","0.9","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Eu N3 O7 -","- C22 H28 Eu N3 O7 -","- C88 H112 Eu4 N12 O28 -","4","1","","Zhang, Xue-Mei; Duan, Yao-Yao; Gao, Hong-Ling; Cui, Jian-Zhong","Solvent-induced single-molecule magnet behavior and near-infrared luminescence properties of rare earth complexes","New Journal of Chemistry","2020","44","44","19135","19143","10.1039/D0NJ03837G","","","0.71073","MoKα","","0.0411","0.0312","","","0.0709","0.0753","","","","","","1.02","","","","has coordinates","259606","2020-12-06","14:30:49",""
"7060059","11.327","0.002","14.721","0.003","15.534","0.003","90","","109.86","0.03","90","","2436.2","0.9","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 N3 O7 Y -","- C22 H28 N3 O7 Y -","- C88 H112 N12 O28 Y4 -","4","1","","Zhang, Xue-Mei; Duan, Yao-Yao; Gao, Hong-Ling; Cui, Jian-Zhong","Solvent-induced single-molecule magnet behavior and near-infrared luminescence properties of rare earth complexes","New Journal of Chemistry","2020","44","44","19135","19143","10.1039/D0NJ03837G","","","0.71073","MoKα","","0.0662","0.0489","","","0.098","0.1062","","","","","","1.021","","","","has coordinates","259606","2020-12-06","14:30:49",""
"7060060","13.9869","0.0006","5.09616","0.00015","24.461","0.0008","90","","104.972","0.004","90","","1684.38","0.11","293.5","0.1","293.5","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C44 H36 N2 O4 S -","- C44 H36 N2 O4 S -","- C88 H72 N4 O8 S2 -","2","0.5","","Zhou, Hongke; Zhang, Zhan; Liu, Xingliang; Xu, Defang; Zhang, Weidong; Fu, Shengjie; Feng, Xiucun; Huang, Qian","D‒A type luminophores with a twisted molecular conformation constructed by phenoxazine and diphenylsulfone showing high contrast mechanofluorochromism","New Journal of Chemistry","2020","44","41","17882","17890","10.1039/D0NJ04178E","","x-ray","1.54184","CuKα","","0.05","0.0405","","","0.1054","0.114","","","","","","1.059","","","","has coordinates","258898","2020-11-06","12:43:35",""
"7060061","9.9624","0.0005","13.4464","0.0007","19.3712","0.001","87.677","0.004","76.294","0.005","73.02","0.005","2410","0.2","293.51","0.1","293.51","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 Br N O3 S -","- C28 H22 Br N O3 S -","- C112 H88 Br4 N4 O12 S4 -","4","2","","Zhou, Hongke; Zhang, Zhan; Liu, Xingliang; Xu, Defang; Zhang, Weidong; Fu, Shengjie; Feng, Xiucun; Huang, Qian","D‒A type luminophores with a twisted molecular conformation constructed by phenoxazine and diphenylsulfone showing high contrast mechanofluorochromism","New Journal of Chemistry","2020","44","41","17882","17890","10.1039/D0NJ04178E","","x-ray","1.54184","CuKα","","0.0629","0.0472","","","0.1251","0.1391","","","","","","1.021","","","","has coordinates","258898","2020-11-06","12:43:35",""
"7060062","10.847","0.002","8.7335","0.0017","17.643","0.004","90","","91.27","0.03","90","","1671","0.6","153","2","153.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H18 Mg N10 O11 -","- C5 H18 Mg N10 O11 -","- C20 H72 Mg4 N40 O44 -","4","1","","Wang, Yanna; Yang, Xiaoming; Hu, Jie; Li, Haibo; Li, Zhimin; Zhang, Tonglai","Insensitive energetic compounds: alkaline earth metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazolate","New Journal of Chemistry","2020","44","44","19054","19060","10.1039/D0NJ03773G","","","0.71073","MoKα","","0.0533","0.049","","","0.1096","0.1126","","","","","","1.11","","","","has coordinates","259608","2020-12-06","14:31:08",""
"7060063","17.068","0.003","17.764","0.004","21.772","0.004","90","","90","","90","","6601","2","153","2","153.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H34 N20 O21 Sr2 -","- C10 H34 N20 O21 Sr2 -","- C80 H272 N160 O168 Sr16 -","8","1","","Wang, Yanna; Yang, Xiaoming; Hu, Jie; Li, Haibo; Li, Zhimin; Zhang, Tonglai","Insensitive energetic compounds: alkaline earth metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazolate","New Journal of Chemistry","2020","44","44","19054","19060","10.1039/D0NJ03773G","","","0.71073","MoKα","","0.0972","0.076","","","0.1284","0.1368","","","","","","1.221","","","","has coordinates","259608","2020-12-06","14:31:08",""
"7060064","20.691","0.004","8.2319","0.0016","21.708","0.004","90","","91.83","0.03","90","","3695.6","1.2","153","2","153.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H44 Ca2 N20 O26 -","- C10 H44 Ca2 N20 O26 -","- C40 H176 Ca8 N80 O104 -","4","1","","Wang, Yanna; Yang, Xiaoming; Hu, Jie; Li, Haibo; Li, Zhimin; Zhang, Tonglai","Insensitive energetic compounds: alkaline earth metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazolate","New Journal of Chemistry","2020","44","44","19054","19060","10.1039/D0NJ03773G","","","0.71073","MoKα","","0.1412","0.123","","","0.281","0.2933","","","","","","1.238","","","","has coordinates","259608","2020-12-06","14:31:08",""
"7060065","7.894","0.003","10.729","0.004","11.479","0.004","111.357","0.009","104.883","0.011","94.191","0.008","859.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H12 Cu F3 N O3 -","- C19 H12 Cu F3 N O3 -","- C38 H24 Cu2 F6 N2 O6 -","2","1","","Mahesha,; Hema, M. K.; Karthik, C. S.; Pampa, K. J.; Mallu, P.; Lokanath, N. K.","Solvent induced mononuclear and dinuclear mixed ligand Cu(ii) complex: structural diversity, supramolecular packing polymorphism and molecular docking studies","New Journal of Chemistry","2020","44","41","18048","18068","10.1039/D0NJ03567J","","","0.71073","MoKα","","0.0836","0.0651","","","0.1699","0.1888","","","","","","0.991","","","","has coordinates","258894","2020-11-06","12:42:35",""
"7060066","8.56","0.002","22.75","0.005","11.02","0.003","90","","111.64","0.003","90","","1994.8","0.8","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C21 H16 Cu F3 N O5 -","- C21 H16 Cu F3 N O5 -","- C84 H64 Cu4 F12 N4 O20 -","4","1","","Mahesha,; Hema, M. K.; Karthik, C. S.; Pampa, K. J.; Mallu, P.; Lokanath, N. K.","Solvent induced mononuclear and dinuclear mixed ligand Cu(ii) complex: structural diversity, supramolecular packing polymorphism and molecular docking studies","New Journal of Chemistry","2020","44","41","18048","18068","10.1039/D0NJ03567J","","","0.71073","MoKα","","0.1402","0.0847","","","0.2083","0.2506","","","","","","0.985","","","","has coordinates","298703","2025-04-03","05:34:16",""
"7060067","19.497","0.004","17.505","0.004","17.664","0.004","90","","97.67","0.03","90","","5975","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H56 I9 La N8 O8 Pb3 -","- C24 H36 I9 La N8 O8 Pb3 -","- C96 H144 I36 La4 N32 O32 Pb12 -","4","1","","Chen, Niannian; Gao, Yan; Tian, Yiming; Wu, Bing; Jia, Dingxian; Zhao, Shengxian","One-dimensional polymeric iodoplumbate hybrids with lanthanide complex cations: syntheses, crystal structures, and photoelectric and photocatalytic properties","New Journal of Chemistry","2020","44","44","19166","19173","10.1039/D0NJ04549G","","","0.71073","MoKα","","0.0951","0.0896","","","0.1327","0.1613","","","","","","1.158","","","","has coordinates","259607","2020-12-06","14:30:58",""
"7060068","18.777","0.004","20.133","0.004","20.095","0.004","90","","109.89","0.03","90","","7144","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H56 Gd I13 N8 O8 Pb5 -","- C24 H48 Gd I13 N8 O8 Pb5 -","- C96 H192 Gd4 I52 N32 O32 Pb20 -","4","1","","Chen, Niannian; Gao, Yan; Tian, Yiming; Wu, Bing; Jia, Dingxian; Zhao, Shengxian","One-dimensional polymeric iodoplumbate hybrids with lanthanide complex cations: syntheses, crystal structures, and photoelectric and photocatalytic properties","New Journal of Chemistry","2020","44","44","19166","19173","10.1039/D0NJ04549G","","","0.71073","MoKα","","0.1666","0.1211","","","0.219","0.2357","","","","","","1.282","","","","has coordinates","259607","2020-12-06","14:30:58",""
"7060069","18.833","0.004","20.148","0.004","20.148","0.004","90","","110.01","0.03","90","","7184","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H56 I13 N8 O8 Pb5 Sm -","- C24 H50 I13 N8 O8 Pb5 Sm -","- C96 H200 I52 N32 O32 Pb20 Sm4 -","4","1","","Chen, Niannian; Gao, Yan; Tian, Yiming; Wu, Bing; Jia, Dingxian; Zhao, Shengxian","One-dimensional polymeric iodoplumbate hybrids with lanthanide complex cations: syntheses, crystal structures, and photoelectric and photocatalytic properties","New Journal of Chemistry","2020","44","44","19166","19173","10.1039/D0NJ04549G","","","0.71073","MoKα","","0.1661","0.1154","","","0.2272","0.2546","","","","","","1.185","","","","has coordinates","259607","2020-12-06","14:30:58",""
"7060070","10.168","0.002","37.606","0.008","38.894","0.008","90","","95.97","0.03","90","","14792","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H54 Mn3 N2 O15 -","- C78 H48 Mn3 N2 O15 -","- C312 H192 Mn12 N8 O60 -","4","1","","Kim, Hyojin; Eom, Sunhwi; Park, Sora; Kang, Dong Won; Wang, Mengmeng; Kim, Youngseo; Park, Sungnam; Shi, Wei; Hong, Chang Seop","Structure, photoluminescence, and magnetic properties of a Mn(ii)-based metal‒organic framework","New Journal of Chemistry","2020","44","43","18694","18702","10.1039/D0NJ04193A","","","0.7","synchrotron","","0.0968","0.0716","","","0.2165","0.2287","","","","","","0.983","","","","has coordinates","259612","2020-12-06","14:31:54",""
"7060071","11.3239","0.0009","16.5128","0.0014","25.834","0.002","90","","93.671","0.001","90","","4820.8","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","YbDMP(acetate)(1,10-phen).0.65CH2Cl2.1.82CH3OH","","","- C54.47 H50.76 Cl1.3 N6 O3.82 Yb -","- C54.47 H50.76 Cl1.3 N6 O3.82 Yb -","- C217.88 H203.04 Cl5.2 N24 O15.28 Yb4 -","4","1","","Balasooriya, Dinesh; Liu, Beibei; He, Hongshan; Sykes, Andew; May, P. Stanley","A conjugated porphyrin as a red-light sensitizer for near-infrared emission of ytterbium(iii) ion","New Journal of Chemistry","2020","44","43","18756","18762","10.1039/D0NJ04910G","","","0.71073","MoKα","","0.0608","0.0484","","","0.1187","0.1302","","","","","","1.156","","","","has coordinates","259613","2020-12-06","14:31:59",""
"7060072","9.0378","0.0007","13.0143","0.0011","14.5111","0.0011","114.894","0.008","96.065","0.006","100.583","0.007","1489.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 B F2 N3 O4 -","- C34 H30 B F2 N3 O4 -","- C68 H60 B2 F4 N6 O8 -","2","1","","Xie, Hao-Ran; Gu, Ya-Qi; Liu, Li; Dai, Jing-Cao","A H-aggregating fluorescent probe for recognizing both mercury and copper ions based on a dicarboxyl-pyridyl bifunctionalized difluoroboron dipyrromethene","New Journal of Chemistry","2020","44","45","19713","19722","10.1039/D0NJ04124F","","","0.71073","MoKα","","0.1592","0.0707","","","0.1625","0.2124","","","","","","1.022","","","","has coordinates","259619","2020-12-06","14:33:28",""
"7060073","9.9602","0.0002","22.9534","0.0004","9.6447","0.0001","90","","93.162","0.001","90","","2201.62","0.06","114","2","114","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 B F2 N3 O6 -","- C22 H18 B F2 N3 O6 -","- C88 H72 B4 F8 N12 O24 -","4","1","","Xie, Hao-Ran; Gu, Ya-Qi; Liu, Li; Dai, Jing-Cao","A H-aggregating fluorescent probe for recognizing both mercury and copper ions based on a dicarboxyl-pyridyl bifunctionalized difluoroboron dipyrromethene","New Journal of Chemistry","2020","44","45","19713","19722","10.1039/D0NJ04124F","","","1.54178","CuKα","","0.0975","0.0859","","","0.2504","0.2657","","","","","","1.05","","","","has coordinates","259619","2020-12-06","14:33:28",""
"7060074","11.1737","0.0003","11.3349","0.0004","18.294","0.0005","88.5","0.001","81.176","0.001","65.031","0.001","2073.65","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C44.84 H58.87 Dy I0.03 N2 O S1.98 -","- C44.8428 H58.869 Dy I0.0262 N2 O S1.9738 -","- C89.6856 H117.738 Dy2 I0.0524 N4 O2 S3.9476 -","2","1","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.; Pushkarevsky, Nikolay A.","Synthesis and luminescence studies of lanthanide complexes (Gd, Tb, Dy) with phenyl- and 2-pyridylthiolates supported by a bulky β-diketiminate ligand. Impact of the ligand environment on terbium(iii) emission","New Journal of Chemistry","2020","44","45","19769","19779","10.1039/D0NJ04201C","","","0.71073","MoKα","","0.0217","0.0195","","","0.0434","0.0441","","","","","","1.045","","","","has coordinates,has disorder","259617","2020-12-06","14:33:17",""
"7060075","31.9845","0.0006","12.1125","0.0003","21.4148","0.0005","90","","116.247","0.001","90","","7441","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H53 Dy I2 N2 O1.5 -","- C35 H53 Dy I2 N2 O1.5 -","- C280 H424 Dy8 I16 N16 O12 -","8","1","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.; Pushkarevsky, Nikolay A.","Synthesis and luminescence studies of lanthanide complexes (Gd, Tb, Dy) with phenyl- and 2-pyridylthiolates supported by a bulky β-diketiminate ligand. Impact of the ligand environment on terbium(iii) emission","New Journal of Chemistry","2020","44","45","19769","19779","10.1039/D0NJ04201C","","","0.71073","MoKα","","0.0367","0.0274","","","0.0502","0.053","","","","","","1.032","","","","has coordinates","259617","2020-12-06","14:33:17",""
"7060076","19.1978","0.0006","19.5799","0.0006","22.8398","0.0008","102.721","0.001","106.138","0.001","97.761","0.001","7866.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H57 I2 N2 O2 Tb -","- C37 H57 I2 N2 O2 Tb -","- C296 H456 I16 N16 O16 Tb8 -","8","4","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.; Pushkarevsky, Nikolay A.","Synthesis and luminescence studies of lanthanide complexes (Gd, Tb, Dy) with phenyl- and 2-pyridylthiolates supported by a bulky β-diketiminate ligand. Impact of the ligand environment on terbium(iii) emission","New Journal of Chemistry","2020","44","45","19769","19779","10.1039/D0NJ04201C","","","0.71073","MoKα","","0.0906","0.0459","","","0.0993","0.1202","","","","","","1.015","","","","has coordinates,has disorder","259617","2020-12-06","14:33:17",""
"7060077","10.2426","0.0004","20.049","0.0009","10.6372","0.0007","90","","92.955","0.002","90","","2181.49","0.19","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C41 H65 Gd I2 N2 O3 -","- C41 H65 Gd I2 N2 O3 -","- C82 H130 Gd2 I4 N4 O6 -","2","0.5","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.; Pushkarevsky, Nikolay A.","Synthesis and luminescence studies of lanthanide complexes (Gd, Tb, Dy) with phenyl- and 2-pyridylthiolates supported by a bulky β-diketiminate ligand. Impact of the ligand environment on terbium(iii) emission","New Journal of Chemistry","2020","44","45","19769","19779","10.1039/D0NJ04201C","","","0.71073","MoKα","","0.029","0.0249","","","0.056","0.0579","","","","","","1.035","","","","has coordinates,has disorder","259617","2020-12-06","14:33:17",""
"7060078","12.7128","0.0005","19.5799","0.0006","16.8372","0.0005","94.15","0.001","79.699","0.001","107.444","0.001","3933.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H57 I2 N2 O2 Tb -","- C37 H57 I2 N2 O2 Tb -","- C148 H228 I8 N8 O8 Tb4 -","4","2","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.; Pushkarevsky, Nikolay A.","Synthesis and luminescence studies of lanthanide complexes (Gd, Tb, Dy) with phenyl- and 2-pyridylthiolates supported by a bulky β-diketiminate ligand. Impact of the ligand environment on terbium(iii) emission","New Journal of Chemistry","2020","44","45","19769","19779","10.1039/D0NJ04201C","","","0.71073","MoKα","","0.0564","0.0404","","","0.0879","0.0957","","","","","","1.021","","","","has coordinates,has disorder","259617","2020-12-06","14:33:17",""
"7060079","11.1634","0.0004","11.36","0.0005","18.3231","0.0009","88.633","0.002","81.303","0.002","65.01","0.001","2079.83","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H59 N2 O S2 Tb -","- C45 H59 N2 O S2 Tb -","- C90 H118 N4 O2 S4 Tb2 -","2","1","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.; Pushkarevsky, Nikolay A.","Synthesis and luminescence studies of lanthanide complexes (Gd, Tb, Dy) with phenyl- and 2-pyridylthiolates supported by a bulky β-diketiminate ligand. Impact of the ligand environment on terbium(iii) emission","New Journal of Chemistry","2020","44","45","19769","19779","10.1039/D0NJ04201C","","","0.71073","MoKα","","0.0297","0.0252","","","0.0521","0.0539","","","","","","1.047","","","","has coordinates,has disorder","259617","2020-12-06","14:33:17",""
"7060080","12.8956","0.0005","19.6998","0.0007","15.224","0.0007","90","","93.257","0.002","90","","3861.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40.38 H51.76 Dy N4 O0.34 S2 -","- C40.38 H51.76 Dy N4 O0.345 S2 -","- C161.52 H207.04 Dy4 N16 O1.38 S8 -","4","1","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.; Pushkarevsky, Nikolay A.","Synthesis and luminescence studies of lanthanide complexes (Gd, Tb, Dy) with phenyl- and 2-pyridylthiolates supported by a bulky β-diketiminate ligand. Impact of the ligand environment on terbium(iii) emission","New Journal of Chemistry","2020","44","45","19769","19779","10.1039/D0NJ04201C","","","0.71073","MoKα","","0.0331","0.0239","","","0.0462","0.0491","","","","","","1.025","","","","has coordinates,has disorder","259617","2020-12-06","14:33:17",""
"7060081","11.458","0.0006","14.6416","0.0007","15.2678","0.0006","92.345","0.002","111.744","0.002","111.629","0.002","2164.4","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H118 N4 S4 Tb2 -","- C96 H118 N4 S4 Tb2 -","- C96 H118 N4 S4 Tb2 -","1","0.5","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.; Pushkarevsky, Nikolay A.","Synthesis and luminescence studies of lanthanide complexes (Gd, Tb, Dy) with phenyl- and 2-pyridylthiolates supported by a bulky β-diketiminate ligand. Impact of the ligand environment on terbium(iii) emission","New Journal of Chemistry","2020","44","45","19769","19779","10.1039/D0NJ04201C","","","0.71073","MoKα","","0.022","0.0193","","","0.0449","0.046","","","","","","1.046","","","","has coordinates,has disorder","259617","2020-12-06","14:33:17",""
"7060082","12.2293","0.001","15.4509","0.0013","15.9391","0.0013","67.587","0.003","70.606","0.003","77.965","0.003","2614.6","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32 Cl2 N4 O3 Ru -","- C24 H32 Cl2 N4 O3 Ru -","- C96 H128 Cl8 N16 O12 Ru4 -","4","2","","Gopalakrishnan, Durairaj; Sumithaa, Chezhiyan; Kumar, Arumugam Madan; Bhuvanesh, Nattamai S. P.; Ghorai, Suvankar; Das, Priyadip; Ganeshpandian, Mani","Encapsulation of a Ru(η6-p-cymene) complex of the antibacterial drug trimethoprim into a polydiacetylene-phospholipid assembly to enhance its in vitro anticancer and antibacterial activities","New Journal of Chemistry","2020","44","46","20047","20059","10.1039/D0NJ03664A","","","0.71073","MoKα","","0.0402","0.031","","","0.0639","0.0684","","","","","","1.115","","","","has coordinates","260801","2021-01-07","06:48:03",""
"7060083","21.4385","0.0004","16.0457","0.0003","17.8853","0.0003","90","","90","","90","","6152.47","0.19","100","0.1","100","0.1","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C15 H14 Cl N O2 Pt S -","- C15 H14 Cl N O2 Pt S -","- C240 H224 Cl16 N16 O32 Pt16 S16 -","16","2","","Shao, Tai-Ming; Wei, Zu-Zhuang; Luo, Xiao-Ling; Qin, Qi-Pin; Tan, Ming-Xiong; Zeng, Jia-Jing; Liang, Chun-Jie; Liang, Hong","High cytotoxic and apoptotic effects of platinum(ii) complexes bearing the 4-acridinol ligand","New Journal of Chemistry","2020","44","45","19885","19890","10.1039/D0NJ04753H","","x-ray","1.54184","CuKα","","0.0503","0.0485","","","0.1357","0.1375","","","","","","1.076","","","","has coordinates","259420","2020-12-02","04:48:35",""
"7060084","7.2856","0.0001","17.1489","0.0002","9.9031","0.0001","90","","90","","90","","1237.29","0.03","100","0.1","100","0.1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C11 H12 Cl N O2 Pt S -","- C11 H12 Cl N O2 Pt S -","- C44 H48 Cl4 N4 O8 Pt4 S4 -","4","1","","Shao, Tai-Ming; Wei, Zu-Zhuang; Luo, Xiao-Ling; Qin, Qi-Pin; Tan, Ming-Xiong; Zeng, Jia-Jing; Liang, Chun-Jie; Liang, Hong","High cytotoxic and apoptotic effects of platinum(ii) complexes bearing the 4-acridinol ligand","New Journal of Chemistry","2020","44","45","19885","19890","10.1039/D0NJ04753H","","x-ray","1.54184","CuKα","","0.0245","0.0236","","","0.0583","0.0592","","","","","","1.074","","","","has coordinates","259420","2020-12-02","04:48:36",""
"7060099","10.3583","0.0004","11.4739","0.0004","17.6428","0.0006","102.881","0.003","93.052","0.003","111.451","0.004","1881.39","0.13","100","0.3","100","0.3","","","","","","","","7","P -1","-P 1","2","","","","- C42 H38 F6 N2 P2 Ru S -","- C42 H38 F6 N2 P2 Ru S -","- C84 H76 F12 N4 P4 Ru2 S2 -","2","1","","Martínez-De-León, Carla Gabriela; Flores Vallejo, Rosario del Carmen; Rodríguez-Álvarez, Aurora; Villareal, María Luisa; Grévy, Jean-Michel","Synthesis, characterization and cytotoxic activity of cationic half-sandwich Ru(ii) complexes stabilized by iminophosphorane N,N,S and N,N,Se tridentate ligands","New Journal of Chemistry","2020","44","47","20676","20687","10.1039/D0NJ04958A","","x-ray","0.71073","MoKα","","0.0465","0.0372","","","0.0698","0.074","","","","","","1.029","","","","has coordinates","260802","2021-01-07","06:48:16",""
"7060100","10.3258","0.0003","11.4664","0.0005","17.7014","0.0007","102.299","0.003","92.894","0.003","111.556","0.004","1885.31","0.14","99.9","0.5","99.9","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C42 H38 F6 N2 P2 Ru Se -","- C42 H38 F6 N2 P2 Ru Se -","- C84 H76 F12 N4 P4 Ru2 Se2 -","2","1","","Martínez-De-León, Carla Gabriela; Flores Vallejo, Rosario del Carmen; Rodríguez-Álvarez, Aurora; Villareal, María Luisa; Grévy, Jean-Michel","Synthesis, characterization and cytotoxic activity of cationic half-sandwich Ru(ii) complexes stabilized by iminophosphorane N,N,S and N,N,Se tridentate ligands","New Journal of Chemistry","2020","44","47","20676","20687","10.1039/D0NJ04958A","","x-ray","0.71073","MoKα","","0.0483","0.0391","","","0.0778","0.0826","","","","","","1.03","","","","has coordinates","260802","2021-01-07","06:48:20",""
"7060101","12.1571","0.0003","16.3864","0.0004","20.0229","0.0005","90","","94.02","0.002","90","","3978.97","0.17","99.98","0.12","99.98","0.12","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H40 Cl3 N2 P Ru Se -","- C43 H40 Cl3 N2 P Ru Se -","- C172 H160 Cl12 N8 P4 Ru4 Se4 -","4","1","","Martínez-De-León, Carla Gabriela; Flores Vallejo, Rosario del Carmen; Rodríguez-Álvarez, Aurora; Villareal, María Luisa; Grévy, Jean-Michel","Synthesis, characterization and cytotoxic activity of cationic half-sandwich Ru(ii) complexes stabilized by iminophosphorane N,N,S and N,N,Se tridentate ligands","New Journal of Chemistry","2020","44","47","20676","20687","10.1039/D0NJ04958A","","x-ray","0.71073","MoKα","","0.039","0.0295","","","0.0609","0.0642","","","","","","1.054","","","","has coordinates","260802","2021-01-07","06:48:25",""
"7060103","14.799","0.0008","16.2691","0.001","17.0541","0.0009","72.965","0.002","80.879","0.003","80.069","0.003","3841.6","0.4","173","2","173.02","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H59 Cl2 N O22 Zr6 -","- C58 H58 Cl2 N O22 Zr6 -","- C116 H116 Cl4 N2 O44 Zr12 -","2","1","","Chen, Siyuan; Cheng, Shuangjing; Zhao, Liang; Sun, Chunyi; Qin, Chao; Su, Zhongmin","Self-assembly of zirconocene-based metal‒organic capsules: the structure, luminescence sensing of Fe3+ and iodine capture","New Journal of Chemistry","2020","44","48","21255","21260","10.1039/D0NJ04576D","","x-ray","0.71073","MoKα","K-L~3~","0.1459","0.063","","","0.1449","0.1963","","","","","","1.035","","","","has coordinates","260808","2021-01-07","06:49:12",""
"7060104","39.583","0.005","11.3619","0.0016","19.236","0.003","90","","91.681","0.008","90","","8647","2","173","2","173.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H74 Cl2 N8 O22 Zr6 -","- C78 H74 Cl2 N8 O22 Zr6 -","- C312 H296 Cl8 N32 O88 Zr24 -","4","1","","Chen, Siyuan; Cheng, Shuangjing; Zhao, Liang; Sun, Chunyi; Qin, Chao; Su, Zhongmin","Self-assembly of zirconocene-based metal‒organic capsules: the structure, luminescence sensing of Fe3+ and iodine capture","New Journal of Chemistry","2020","44","48","21255","21260","10.1039/D0NJ04576D","","x-ray","1.54178","CuKα","K-L~3~","0.1624","0.0879","","","0.1809","0.2102","","","","","","1.072","","","","has coordinates","260808","2021-01-07","06:49:12",""
"7060105","10.7932","0.0008","23.6272","0.0015","25.0116","0.0018","67.089","0.003","78.072","0.003","77.205","0.003","5677.5","0.7","173","2","173.02","","","","","","","","","6","P -1","-P 1","2","","","","- C85.5 H83.5 Cl2 N2.5 O22.5 Zr6 -","- C85.5 H83.5 Cl2 N2.5 O22.5 Zr6 -","- C171 H167 Cl4 N5 O45 Zr12 -","2","1","","Chen, Siyuan; Cheng, Shuangjing; Zhao, Liang; Sun, Chunyi; Qin, Chao; Su, Zhongmin","Self-assembly of zirconocene-based metal‒organic capsules: the structure, luminescence sensing of Fe3+ and iodine capture","New Journal of Chemistry","2020","44","48","21255","21260","10.1039/D0NJ04576D","","x-ray","0.71073","MoKα","K-L~3~","0.1111","0.0693","","","0.1836","0.2087","","","","","","1.026","","","","has coordinates","260808","2021-01-07","06:49:12",""
"7060106","7.2126","0.0007","7.7988","0.0007","11.6303","0.0011","108.895","0.003","99.835","0.003","97.095","0.003","598.52","0.1","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C13 H12 F N3 O2 -","- C13 H12.001 F N3 O2 -","- C26 H24.002 F2 N6 O4 -","2","1","","Wilde, Myron; Arzur, Danielle; Baratte, Blandine; Lefebvre, Dorian; Robert, Thomas; Roisnel, Thierry; Le Jossic-Corcos, Catherine; Bach, Stéphane; Corcos, Laurent; Erb, William","Regorafenib analogues and their ferrocenic counterparts: synthesis and biological evaluation","New Journal of Chemistry","2020","44","45","19723","19733","10.1039/D0NJ05334A","","x-ray","0.71073","MoKα","","0.0474","0.0424","","","0.1181","0.1229","","","","","","0.991","","","","has coordinates,has disorder","259428","2020-12-02","04:56:06",""
"7060107","9.7343","0.001","13.7655","0.0014","9.5215","0.001","90","","107.93","0.004","90","","1213.9","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 F N2 O2 -","- C13 H11 F N2 O2 -","- C52 H44 F4 N8 O8 -","4","1","","Wilde, Myron; Arzur, Danielle; Baratte, Blandine; Lefebvre, Dorian; Robert, Thomas; Roisnel, Thierry; Le Jossic-Corcos, Catherine; Bach, Stéphane; Corcos, Laurent; Erb, William","Regorafenib analogues and their ferrocenic counterparts: synthesis and biological evaluation","New Journal of Chemistry","2020","44","45","19723","19733","10.1039/D0NJ05334A","","x-ray","0.71073","MoKα","","0.053","0.0452","","","0.1133","0.119","","","","","","1.042","","","","has coordinates","259428","2020-12-02","04:56:07",""
"7060108","12.9052","0.0017","10.4423","0.0013","10.249","0.0014","90","","108.342","0.005","90","","1311","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Fe N O3 -","- C14 H15 Fe N O3 -","- C56 H60 Fe4 N4 O12 -","4","1","","Wilde, Myron; Arzur, Danielle; Baratte, Blandine; Lefebvre, Dorian; Robert, Thomas; Roisnel, Thierry; Le Jossic-Corcos, Catherine; Bach, Stéphane; Corcos, Laurent; Erb, William","Regorafenib analogues and their ferrocenic counterparts: synthesis and biological evaluation","New Journal of Chemistry","2020","44","45","19723","19733","10.1039/D0NJ05334A","","x-ray","0.71073","MoKα","","0.0542","0.0419","","","0.1077","0.1149","","","","","","0.922","","","","has coordinates","259428","2020-12-02","04:56:07",""
"7060109","13.2083","0.0011","9.7083","0.0008","10.6102","0.0007","90","","90","","90","","1360.55","0.18","150","2","150","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C16 H13 Cl Fe N2 O -","- C16 H13 Cl Fe N2 O -","- C64 H52 Cl4 Fe4 N8 O4 -","4","1","","Wilde, Myron; Arzur, Danielle; Baratte, Blandine; Lefebvre, Dorian; Robert, Thomas; Roisnel, Thierry; Le Jossic-Corcos, Catherine; Bach, Stéphane; Corcos, Laurent; Erb, William","Regorafenib analogues and their ferrocenic counterparts: synthesis and biological evaluation","New Journal of Chemistry","2020","44","45","19723","19733","10.1039/D0NJ05334A","","x-ray","0.71073","MoKα","","0.0251","0.0236","","","0.0633","0.0649","","","","","","0.904","","","","has coordinates","259428","2020-12-02","04:56:08",""
"7060110","11.2927","0.0011","13.7746","0.0014","14.1675","0.0015","65.688","0.003","68.371","0.004","88.915","0.004","1843.9","0.3","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C22 H18 F Fe N3 O2 -","- C22 H18 F Fe N3 O2 -","- C88 H72 F4 Fe4 N12 O8 -","4","2","","Wilde, Myron; Arzur, Danielle; Baratte, Blandine; Lefebvre, Dorian; Robert, Thomas; Roisnel, Thierry; Le Jossic-Corcos, Catherine; Bach, Stéphane; Corcos, Laurent; Erb, William","Regorafenib analogues and their ferrocenic counterparts: synthesis and biological evaluation","New Journal of Chemistry","2020","44","45","19723","19733","10.1039/D0NJ05334A","","x-ray","0.71073","MoKα","","0.0695","0.0466","","","0.0991","0.1115","","","","","","1.026","","","","has coordinates,has disorder","259428","2020-12-02","04:56:08",""
"7060111","12.3325","0.0013","11.1364","0.001","9.0892","0.0008","90","","108.654","0.005","90","","1182.7","0.2","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Cl F3 N O3 -","- C11 H9 Cl F3 N O3 -","- C44 H36 Cl4 F12 N4 O12 -","4","1","","Wilde, Myron; Arzur, Danielle; Baratte, Blandine; Lefebvre, Dorian; Robert, Thomas; Roisnel, Thierry; Le Jossic-Corcos, Catherine; Bach, Stéphane; Corcos, Laurent; Erb, William","Regorafenib analogues and their ferrocenic counterparts: synthesis and biological evaluation","New Journal of Chemistry","2020","44","45","19723","19733","10.1039/D0NJ05334A","","x-ray","0.71073","MoKα","","0.0527","0.0399","","","0.1064","0.1158","","","","","","1.048","","","","has coordinates","259428","2020-12-02","04:56:08",""
"7060112","16.6739","0.0015","8.1277","0.0007","19.197","0.0017","90","","115.728","0.001","90","","2343.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[MeBAPIm]2Pb3Br12","","- C20 H50 Br12 N8 Pb3 -","- C20 H50 Br12 N8 Pb3 -","- C40 H100 Br24 N16 Pb6 -","2","0.5","","Sun, Xing-Yu; Zhang, Wei-Feng; Pan, Hong-Mei; Ma, Yue-Yu; Jing, Zhi-Hong","Broadband yellow light emitting performance based on zero-dimensional hybrid lead bromide trimers","New Journal of Chemistry","2020","44","48","21146","21151","10.1039/D0NJ04686H","","","0.71073","MoKα","","0.063","0.0316","","","0.0506","0.054","","","","","","0.841","","","","has coordinates","260805","2021-01-07","06:48:45",""
"7060113","9.9716","0.0012","15.7329","0.0019","31.996","0.004","90","","90","","90","","5019.6","1.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[PMDPTA]2Pb3Br12","","- C22 H60 Br12 N6 Pb3 -","- C22 H60 Br12 N6 Pb3 -","- C88 H240 Br48 N24 Pb12 -","4","1","","Sun, Xing-Yu; Zhang, Wei-Feng; Pan, Hong-Mei; Ma, Yue-Yu; Jing, Zhi-Hong","Broadband yellow light emitting performance based on zero-dimensional hybrid lead bromide trimers","New Journal of Chemistry","2020","44","48","21146","21151","10.1039/D0NJ04686H","","","0.71073","MoKα","","0.0356","0.0284","","","0.0583","0.0607","","","","","","1.035","","","","has coordinates","260805","2021-01-07","06:48:45",""
"7060114","14.1404","0.0011","35.42","0.003","13.8364","0.0011","90","","120.445","0.002","90","","5974.5","0.8","100","2","100","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C45 H67 Cl5 N2 O4 P2 Pt Se Sn5 -","- C45 H67 Cl5 N2 O4 P2 Pt Se Sn5 -","- C180 H268 Cl20 N8 O16 P8 Pt4 Se4 Sn20 -","4","1","","Chauhan, Rohit Singh; Singh, Saurabh Kumar; Tyagi, Adish; Golen, James A.; Rheingold, Arnold L.","A serendipitous isolation of cocrystallized platinum‒tin complexes: synthesis, structure and theoretical exploration","New Journal of Chemistry","2020","44","48","20945","20955","10.1039/D0NJ04639F","","","0.71073","MoKα","","0.0417","0.0353","","","0.072","0.0744","","","","","","1.033","","","","has coordinates","260807","2021-01-07","06:48:57",""
"7060115","12.2292","0.0006","16.2125","0.0009","17.2666","0.0009","92.263","0.002","107.239","0.002","97.212","0.002","3233.1","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C52 H79 Cl6 N O3 P2 Pt Se Sn5 -","- C52 H79 Cl6 N O3 P2 Pt Se Sn5 -","- C104 H158 Cl12 N2 O6 P4 Pt2 Se2 Sn10 -","2","1","","Chauhan, Rohit Singh; Singh, Saurabh Kumar; Tyagi, Adish; Golen, James A.; Rheingold, Arnold L.","A serendipitous isolation of cocrystallized platinum‒tin complexes: synthesis, structure and theoretical exploration","New Journal of Chemistry","2020","44","48","20945","20955","10.1039/D0NJ04639F","","","0.71073","MoKα","","0.0888","0.0546","","","0.1102","0.1208","","","","","","1.089","","","","has coordinates,has disorder","260807","2021-01-07","06:48:58",""
"7060116","33.7978","0.0018","4.4776","0.0003","16.859","0.001","90","","100.713","0.004","90","","2506.9","0.3","173","2","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C112 H128 N16 O24 -","8","1","","Chen, Zhuang-Zhuang; Li, Ruo-Yu; Zhang, Wen-Ze; Zhang, Yang; Dong, Wen-Kui","A new salamo-based colorimetric and fluorescent turn-on sensor with aggregation-induced emission for the rapid and highly sensitive detection of cyanide in real samples","New Journal of Chemistry","2020","44","48","21038","21048","10.1039/D0NJ05020B","","","0.71073","MoKα","","0.0993","0.0724","","","0.1876","0.2028","","","","","","1.14","","","","has coordinates","260806","2021-01-07","06:48:51",""
"7060117","8.295","0.002","9.985","0.004","15.477","0.006","94.172","0.009","97.601","0.013","93.766","0.01","1263.6","0.8","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H60 N8 O6 S6 Zn2 -","- C40 H60 N8 O6 S6 Zn2 -","- C40 H60 N8 O6 S6 Zn2 -","1","0.5","","Schwade, Vânia Denise; Teixeira, Estefane Isis; dos Santos, Fábio Alencar; Bortolotto, Tanize; Tirloni, Bárbara; Abram, Ulrich","Fluorescence studies and photocatalytic application for hydrogen production of ZnII and CdII complexes with isophthaloylbis(thioureas)","New Journal of Chemistry","2020","44","45","19598","19611","10.1039/D0NJ03778H","","","0.56086","AgKα","","0.0704","0.0458","","","0.1027","0.1133","","","","","","1.038","","","","has coordinates,has disorder","259432","2020-12-02","04:59:15",""
"7060118","8.613","0.002","14.572","0.004","17.461","0.005","94.322","0.007","94.423","0.007","102.142","0.007","2126.7","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H84 Cd2 N8 O10 S10 -","- C80 H84 Cd2 N8 O10 S10 -","- C80 H84 Cd2 N8 O10 S10 -","1","0.5","","Schwade, Vânia Denise; Teixeira, Estefane Isis; dos Santos, Fábio Alencar; Bortolotto, Tanize; Tirloni, Bárbara; Abram, Ulrich","Fluorescence studies and photocatalytic application for hydrogen production of ZnII and CdII complexes with isophthaloylbis(thioureas)","New Journal of Chemistry","2020","44","45","19598","19611","10.1039/D0NJ03778H","","","0.56086","AgKα","","0.077","0.0479","","","0.1111","0.1251","","","","","","1.018","","","","has coordinates,has disorder","259432","2020-12-02","04:59:15",""
"7060119","37.5637","0.001","6.6298","0.0002","34.3853","0.001","90","","117.368","0.003","90","","7604.8","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H38 N4 O4 S4 -","- C38 H38 N4 O4 S4 -","- C304 H304 N32 O32 S32 -","8","1","","Schwade, Vânia Denise; Teixeira, Estefane Isis; dos Santos, Fábio Alencar; Bortolotto, Tanize; Tirloni, Bárbara; Abram, Ulrich","Fluorescence studies and photocatalytic application for hydrogen production of ZnII and CdII complexes with isophthaloylbis(thioureas)","New Journal of Chemistry","2020","44","45","19598","19611","10.1039/D0NJ03778H","","","1.54178","CuKα","","0.0731","0.0556","","","0.1448","0.1586","","","","","","1.045","","","","has coordinates","259432","2020-12-02","04:59:15",""
"7060120","8.3905","0.0017","10.057","0.002","15.395","0.003","91.58","0.03","99.49","0.03","93.36","0.03","1278.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H60 Cd2 N8 O6 S6 -","- C40 H60 Cd2 N8 O6 S6 -","- C40 H60 Cd2 N8 O6 S6 -","1","0.5","","Schwade, Vânia Denise; Teixeira, Estefane Isis; dos Santos, Fábio Alencar; Bortolotto, Tanize; Tirloni, Bárbara; Abram, Ulrich","Fluorescence studies and photocatalytic application for hydrogen production of ZnII and CdII complexes with isophthaloylbis(thioureas)","New Journal of Chemistry","2020","44","45","19598","19611","10.1039/D0NJ03778H","","","0.71073","MoKα","","0.0513","0.0436","","","0.1127","0.1156","","","","","","0.962","","","","has coordinates","259432","2020-12-02","04:59:16",""
"7060121","20.0892","0.001","17.8988","0.0008","16.5987","0.0008","90","","103.613","0.002","90","","5800.8","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H52 N8 O5 S4 Zn -","- C68 H52 N8 O5 S4 Zn -","- C272 H208 N32 O20 S16 Zn4 -","4","0.5","","Schwade, Vânia Denise; Teixeira, Estefane Isis; dos Santos, Fábio Alencar; Bortolotto, Tanize; Tirloni, Bárbara; Abram, Ulrich","Fluorescence studies and photocatalytic application for hydrogen production of ZnII and CdII complexes with isophthaloylbis(thioureas)","New Journal of Chemistry","2020","44","45","19598","19611","10.1039/D0NJ03778H","","","0.71073","MoKα","","0.067","0.0428","","","0.0951","0.1047","","","","","","1.028","","","","has coordinates","259432","2020-12-02","04:59:16",""
"7060126","7.1276","0.0016","7.872","0.0015","9.358","0.002","89.837","0.007","82.547","0.007","74.782","0.007","502.1","0.18","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Hg2 N16 -","- C12 H10 Hg2 N16 -","- C12 H10 Hg2 N16 -","1","0.5","","Mahmoudi, Ghodrat; Lawrence, Simon E.; Cisterna, Jonathan; Cárdenas, Alejandro; Brito, Iván; Frontera, Antonio; Safin, Damir A.","A new spodium bond driven coordination polymer constructed from mercury(ii) azide and 1,2-bis(pyridin-2-ylmethylene)hydrazine","New Journal of Chemistry","2020","44","48","21100","21107","10.1039/D0NJ04444J","","","0.71073","MoKα","","0.0723","0.0596","","","0.1556","0.1651","","","","","","1.028","","","","has coordinates","260809","2021-01-07","06:49:19",""
"7060127","8.1633","0.00018","8.7604","0.0003","19.2048","0.0005","96.042","0.002","93.524","0.0019","109.789","0.002","1278.19","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 Cd N5 O8 S2 -","- C23 H27 Cd N5 O8 S2 -","- C46 H54 Cd2 N10 O16 S4 -","2","1","","Garau, Alessandra; Lvova, Larisa; Macedi, Eleonora; Ambrosi, Gianluca; Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Coles, Simon J.; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Isaia, Francesco; Lippolis, Vito; Orton, James B.; Paolesse, Roberto","N2S2 pyridinophane-based fluorescent chemosensors for selective optical detection of Cd2+ in soils","New Journal of Chemistry","2020","44","47","20834","20852","10.1039/D0NJ03858J","","x-ray","0.71075","MoKα","K-L~3~","0.0229","0.022","","","0.0563","0.0568","","","","","","1.044","","","","has coordinates","260804","2021-01-07","06:48:34",""
"7060128","14.6542","0.0009","23.3345","0.0014","15.2574","0.0009","90","","106.595","0.001","90","","4999.9","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 Ce Cu2 N9 O17 -","- C38 H42 Ce Cu2 N9 O17 -","- C152 H168 Ce4 Cu8 N36 O68 -","4","1","","Chen, Zhuang-Zhuang; Zhang, Wen-Ze; Zhang, Ting; Zhang, Yang; Dong, Wen-Kui","An insight into the molecular structures, theoretical calculation and catalytic activities of novel heterotrinuclear [CuII2CeIII] and heterohexanuclear [CuII4YIII2] bis(salamo)-based complexes","New Journal of Chemistry","2020","44","45","19836","19849","10.1039/D0NJ04126B","","","0.71073","MoKα","","0.0588","0.0373","","","0.0858","0.0954","","","","","","0.992","","","","has coordinates","259533","2020-12-04","03:59:54",""
"7060129","12.8639","0.0007","17.7598","0.0009","23.1688","0.0013","106.755","0.002","101.128","0.002","93.311","0.002","4936.8","0.5","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C83 H107 Cu4 N17 O38 Y2 -","- C83 H107 Cu4 N17 O38 Y2 -","- C166 H214 Cu8 N34 O76 Y4 -","2","1","","Chen, Zhuang-Zhuang; Zhang, Wen-Ze; Zhang, Ting; Zhang, Yang; Dong, Wen-Kui","An insight into the molecular structures, theoretical calculation and catalytic activities of novel heterotrinuclear [CuII2CeIII] and heterohexanuclear [CuII4YIII2] bis(salamo)-based complexes","New Journal of Chemistry","2020","44","45","19836","19849","10.1039/D0NJ04126B","","","0.71073","MoKα","","0.0784","0.0482","","","0.1225","0.1371","","","","","","1.021","","","","has coordinates,has disorder","259533","2020-12-04","03:59:54",""
"7060130","14.1326","0.0015","6.1144","0.0006","20.19","0.002","90","","106.055","0.002","90","","1676.6","0.3","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br N3 O2 -","- C18 H16 Br N3 O2 -","- C72 H64 Br4 N12 O8 -","4","1","","Saeed, Aamer; Khurshid, Asma; Flörke, Ulrich; Echeverría, Gustavo A.; Piro, Oscar E.; Gil, Diego M.; Rocha, Mariana; Frontera, Antonio; El-Seedi, Hesham R.; Mumtaz, Amara; Erben, Mauricio F.","Intermolecular interactions in antipyrine-like derivatives 2-halo-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamides: X-ray structure, Hirshfeld surface analysis and DFT calculations","New Journal of Chemistry","2020","44","45","19541","19554","10.1039/D0NJ03958F","","","0.71073","MoKα","","0.0432","0.0334","","","0.0837","0.0882","","","","","","1.062","","","","has coordinates","259534","2020-12-04","04:00:38",""
"7060131","13.9852","0.0011","6.2373","0.0004","20.2255","0.0012","90","","105.334","0.007","90","","1701.5","0.2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-chloro-N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)benzamide","","- C18 H16 Cl N3 O2 -","- C18 H16 Cl N3 O2 -","- C72 H64 Cl4 N12 O8 -","4","1","","Saeed, Aamer; Khurshid, Asma; Flörke, Ulrich; Echeverría, Gustavo A.; Piro, Oscar E.; Gil, Diego M.; Rocha, Mariana; Frontera, Antonio; El-Seedi, Hesham R.; Mumtaz, Amara; Erben, Mauricio F.","Intermolecular interactions in antipyrine-like derivatives 2-halo-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamides: X-ray structure, Hirshfeld surface analysis and DFT calculations","New Journal of Chemistry","2020","44","45","19541","19554","10.1039/D0NJ03958F","","x-ray","1.54184","CuKα","","0.0774","0.0489","","","0.1272","0.1518","","","","","","1.01","","","","has coordinates","259534","2020-12-04","04:00:40",""
"7060132","7.8921","0.0003","25.8627","0.0013","15.1136","0.0008","90","","92.072","0.004","90","","3082.8","0.3","295","0.1","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 B F2 N2 -","- C33 H31 B F2 N2 -","- C132 H124 B4 F8 N8 -","4","1","","Marfin, Yu. S.; Usoltsev, S. D.; Kazak, A. V.; Vodyanova, O. S.; Novikova, N. E.; Verin, I. A.; Rumyantsev, E. V.; Kholodkov, I. V.; Merkushev, D. A.","Supramolecular organization and optical properties of BODIPY derivatives in Langmuir‒Schaefer films","New Journal of Chemistry","2020","44","44","19046","19053","10.1039/D0NJ02855J","","x-ray","0.71073","MoKα","","0.1741","0.0626","","","0.102","0.1397","","","","1.38","1.38","1.19","","","","has coordinates","259559","2020-12-05","11:31:45",""
"7060133","10.2621","0.0009","14.7331","0.0012","19.7363","0.0018","90","","90","","90","","2984","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Pt -","- C18 H24 Pt -","- C144 H192 Pt8 -","8","1","","Neugebauer, Michael; Schmitz, Simon; Brünink, Dana; Doltsinis, Nikos L.; Klein, Axel","Dynamics of the efficient cyclometalation of the undercoordinated organoplatinum complex [Pt(COD)(neoPh)]+ (neoPh = 2-methyl-2-phenylpropyl)","New Journal of Chemistry","2020","44","44","19238","19249","10.1039/D0NJ04811A","","","0.71073","MoKα","","0.0511","0.0384","","","0.0979","0.1038","","","","","","1.024","","","","has coordinates","259560","2020-12-05","11:32:14",""
"7060134","15.7977","0.0007","19.3045","0.0009","29.3563","0.0014","90","","103.172","0.003","90","","8717.2","0.7","105","","105","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H88.5 N12 O22.25 S6 -","- C86 H88.5 N12 O22.25 S6 -","- C344 H354 N48 O89 S24 -","4","1","","Tremblay, Marie-Hélène; Al Ahmad, Abdel; Skene, W. G.","End-group functionalization of a conjugated azomethine with ureas for property tailoring","New Journal of Chemistry","2020","44","43","18813","18822","10.1039/C9NJ04722K","","x-ray","1.34139","GaKα","","0.1347","0.0704","","","0.1822","0.219","","","","","","1.025","","","","has coordinates","259561","2020-12-05","11:35:24",""
"7060135","9.1066","0.0003","14.6728","0.0005","38.6322","0.0014","90","","90","","90","","5162","0.3","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H27 Cl N3 P Pd S -","- C26 H27 Cl N3 P Pd S -","- C208 H216 Cl8 N24 P8 Pd8 S8 -","8","1","","de Moura, Thales Reggiani; Zanetti, Renan Diego; Silva, Debora Eduarda Soares; de Farias, Renan Lira; Mauro, Antonio Eduardo; Pereira, José Clayston Melo; de Souza, Aline Aparecida; da Silva Siqueira, Fábio; de Souza Júdice, Wagner Alves; Lima, Mauro Almeida; Rocha, Fillipe Vieira; Deflon, Victor Marcelo; Vieira de Godoy Netto, Adelino","Palladium(ii) complexes bearing 1-iminothiolate-3,5-dimethylpyrazoles: synthesis, cytotoxicity, DNA binding and enzymatic inhibition studies","New Journal of Chemistry","2020","44","45","19891","19901","10.1039/D0NJ02825H","","","0.71073","MoKα","","0.0442","0.0424","","","0.1079","0.109","","","","","","1.375","","","","has coordinates","259562","2020-12-05","11:36:34",""
"7060155","19.0333","0.0014","9.0499","0.0007","23.067","0.002","90","","90","","90","","3973.3","0.5","296","2","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H42 Dy2 N4 O16 -","- C36 H42 Dy2 N4 O16 -","- C144 H168 Dy8 N16 O64 -","4","0.5","","Li, Dawei; Ding, Man-Man; Ge, Yu; Tello Yepes, David Felipe; Sun, Mingyuan; Najib, Muhammad Saleem; Li, Yahong; Zhang, Yi-Quan; Yao, Jin-lei","Assembling two Dy2 single-molecule magnets with different energy barriers via fine-tuning the geometries of DyIII sites","New Journal of Chemistry","2020","44","47","20634","20642","10.1039/D0NJ04009F","","","0.71073","MoKα","","0.0572","0.0488","","","0.1522","0.1574","","","","","","1.212","","","","has coordinates","259919","2020-12-16","04:18:54",""
"7060156","23.156","0.0009","12.3704","0.0005","16.9025","0.0006","90","","90","","90","","4841.7","0.3","296","2","296.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C41 H52 Cl2 Dy2 N5 O16 -","- C41 H52 Cl2 Dy2 N5 O16 -","- C164 H208 Cl8 Dy8 N20 O64 -","4","1","","Li, Dawei; Ding, Man-Man; Ge, Yu; Tello Yepes, David Felipe; Sun, Mingyuan; Najib, Muhammad Saleem; Li, Yahong; Zhang, Yi-Quan; Yao, Jin-lei","Assembling two Dy2 single-molecule magnets with different energy barriers via fine-tuning the geometries of DyIII sites","New Journal of Chemistry","2020","44","47","20634","20642","10.1039/D0NJ04009F","","","0.71073","MoKα","","0.0523","0.0429","","","0.1282","0.1351","","","","","","1.044","","","","has coordinates","259919","2020-12-16","04:18:55",""
"7060178","6.9637","0.0012","14.746","0.003","8.3103","0.0014","90","","96.011","0.003","90","","848.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H11 Cl3 Cu N2 -","- C3 H11 Cl3 Cu N2 -","- C12 H44 Cl12 Cu4 N8 -","4","1","","Ke, Shanxue; Li, Mingli; Rao, Wenjun; Wei, Zhenhong; Cai, Hu","A square-pyramidal coordinated copper(ii) hydrazine dimeric complex showing reversible phase transition, dielectric anomaly and thermochromism","New Journal of Chemistry","2020","44","48","21288","21292","10.1039/D0NJ04668J","","","0.71073","MoKα","","0.028","0.0248","","","0.0624","0.0636","","","","","","1.127","","","","has coordinates","298703","2025-04-03","05:34:16",""
"7060179","6.9843","0.0008","14.7937","0.0015","8.3174","0.001","90","","95.968","0.011","90","","854.73","0.17","353","2","353","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H11 Cl3 Cu N2 -","- C3 H11 Cl3 Cu N2 -","- C12 H44 Cl12 Cu4 N8 -","4","1","","Ke, Shanxue; Li, Mingli; Rao, Wenjun; Wei, Zhenhong; Cai, Hu","A square-pyramidal coordinated copper(ii) hydrazine dimeric complex showing reversible phase transition, dielectric anomaly and thermochromism","New Journal of Chemistry","2020","44","48","21288","21292","10.1039/D0NJ04668J","","","0.71073","MoKα","","0.1071","0.06","","","0.1403","0.1622","","","","","","1.002","","","","has coordinates","298703","2025-04-03","05:34:16",""
"7060180","15.606","0.003","9.991","0.002","16.737","0.004","90","","111.846","0.004","90","","2422.2","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H17 B N6 O2 -","- C31 H17 B N6 O2 -","- C124 H68 B4 N24 O8 -","4","1","","Wang, Ya-Fei; Zhang, Bing-Bing; Li, Zhuo; Wang, Bing; Jiao, Lin-Yu; Wang, Chen; Yang, Lin; Ma, Hai-Xia; Pang, Ling-Yan; Ma, Xiao-Xun","Efficient TiO2/SubPc photocatalyst for degradation of organic dyes under visible light","New Journal of Chemistry","2020","44","48","21192","21200","10.1039/D0NJ04383D","","","0.71073","MoKα","","0.1503","0.0664","","","0.1367","0.1716","","","","","","0.961","","","","has coordinates","260077","2020-12-22","04:12:17",""
"7060227","10.3681","0.0011","13.6354","0.0014","14.6562","0.0014","99.001","0.002","109.776","0.003","100.88","0.002","1859.5","0.3","298","2","298","2","","","","","","","","8","P -1","-P 1","2","complex1","","","- C76 H64 Cl2 F2 Mn4 N8 O20 Se2 -","- C76 H64 Cl2 F2 Mn4 N8 O20 Se2 -","- C76 H64 Cl2 F2 Mn4 N8 O20 Se2 -","1","0.5","","Zhang, Shao-Liang; Li, Shan-Shan; Li, Xin-Chao; Hou, Xian-Hui; Wang, Zhi-Cheng; Ji, Xiao-Ying; Chen, Lei","An aromatic selenite bridged Mn(iii) chain compound showing the coexistence of single chain magnet and metamagnet behaviour","New Journal of Chemistry","2020","44","46","19996","20000","10.1039/D0NJ04763E","","","0.71073","MoKα","","0.2513","0.1084","","","0.1907","0.2456","","","","","","1.051","","","","has coordinates,has disorder","260548","2021-01-06","03:01:25",""
"7060228","7.4343","0.0005","30.238","0.002","16.0736","0.0011","90","","98.342","0.002","90","","3575.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H33 N5 O9 S2 -","- C39 H27 N5 O8 S -","- C156 H108 N20 O32 S4 -","4","1","","Ahmed, Ruby; Ali, Abid; Ahmad, Musheer; Alsalme, Ali; Khan, Rais Ahmad; Ali, Farman","Phenanthroimidazole derivatives as a chemosensor for picric acid: a first realistic approach","New Journal of Chemistry","2020","44","46","20092","20100","10.1039/D0NJ03422C","","","0.71073","MoKα","","0.0586","0.0427","","","0.0997","0.1121","","","","","","1.0916","","","","has coordinates,has disorder","260549","2021-01-06","03:02:16",""
"7060229","7.155","0.0007","13.5698","0.0012","13.6958","0.0013","115.283","0.003","100.531","0.003","94.796","0.003","1162.41","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H19 N5 O8 -","- C27 H19 N5 O8 -","- C54 H38 N10 O16 -","2","1","","Ahmed, Ruby; Ali, Abid; Ahmad, Musheer; Alsalme, Ali; Khan, Rais Ahmad; Ali, Farman","Phenanthroimidazole derivatives as a chemosensor for picric acid: a first realistic approach","New Journal of Chemistry","2020","44","46","20092","20100","10.1039/D0NJ03422C","","","0.71073","MoKα","","0.0885","0.0542","","","0.1187","0.1437","","","","","","1.112","","","","has coordinates","260549","2021-01-06","03:02:17",""
"7060230","7.7601","0.0002","29.8742","0.001","18.9588","0.0006","90","","94.405","0.001","90","","4382.2","0.2","193","2","193.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H44 Dy N7 O12 S4 -","- C35 H44 Dy N7 O12 S4 -","- C140 H176 Dy4 N28 O48 S16 -","4","1","","Kong, Ming; Feng, Xin; Li, Jing; Wang, Jia; Zhang, Yi-Quan; Song, You","Switchable slow relaxation of magnetization in photochromic dysprosium(iii) complexes manipulated by a dithienylethene ligand","New Journal of Chemistry","2020","44","46","20129","20136","10.1039/D0NJ04457A","","","1.34139","GaKα","","0.0863","0.0659","","","0.1609","0.1687","","","","","","1.107","","","","has coordinates","260550","2021-01-06","03:03:11",""
"7060231","7.4367","0.0007","8.9281","0.0007","13.7147","0.0013","97.79","0.003","101.096","0.002","108.161","0.002","830.18","0.13","193","2","192.99","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 N2 O S2 -","- C17 H20 N2 O S2 -","- C34 H40 N4 O2 S4 -","2","1","","Kong, Ming; Feng, Xin; Li, Jing; Wang, Jia; Zhang, Yi-Quan; Song, You","Switchable slow relaxation of magnetization in photochromic dysprosium(iii) complexes manipulated by a dithienylethene ligand","New Journal of Chemistry","2020","44","46","20129","20136","10.1039/D0NJ04457A","","","1.34139","GaKα","","0.0495","0.049","","","0.1373","0.1377","","","","","","1.124","","","","has coordinates","260550","2021-01-06","03:03:11",""
"7060232","8.9475","0.0006","18.8073","0.0012","21.2856","0.0014","77.66","0.003","89.468","0.003","87.737","0.003","3496.4","0.4","193","2","192.99","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H60 Dy N9 O12 S6 -","- C51 H60 Dy N9 O12 S6 -","- C102 H120 Dy2 N18 O24 S12 -","2","1","","Kong, Ming; Feng, Xin; Li, Jing; Wang, Jia; Zhang, Yi-Quan; Song, You","Switchable slow relaxation of magnetization in photochromic dysprosium(iii) complexes manipulated by a dithienylethene ligand","New Journal of Chemistry","2020","44","46","20129","20136","10.1039/D0NJ04457A","","","0.71073","MoKα","","0.0994","0.0817","","","0.216","0.2276","","","","","","1.062","","","","has coordinates","260550","2021-01-06","03:03:11",""
"7060233","11.8375","0.0003","15.1552","0.0004","10.834","0.0003","90","","100.296","0.002","90","","1912.32","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 F6 N O4 S -","- C21 H17 F6 N O4 S -","- C84 H68 F24 N4 O16 S4 -","4","1","","Grudova, Mariya V.; Gil, Diego M.; Khrustalev, Victor N.; Nikitina, Eugeniya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Kletskov, Alexey V.; Frontera, Antonio; Zubkov, Fedor I.","Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions","New Journal of Chemistry","2020","44","46","20167","20180","10.1039/D0NJ04328A","","","0.71073","MoKα","","0.0434","0.0342","","","0.086","0.0922","","","","","","1.021","","","","has coordinates","260551","2021-01-06","03:04:46",""
"7060234","12.3306","0.0004","10.6264","0.0003","15.1459","0.0004","90","","99.93","0.001","90","","1954.84","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F7 N O4 S -","- C20 H14 F7 N O4 S -","- C80 H56 F28 N4 O16 S4 -","4","1","","Grudova, Mariya V.; Gil, Diego M.; Khrustalev, Victor N.; Nikitina, Eugeniya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Kletskov, Alexey V.; Frontera, Antonio; Zubkov, Fedor I.","Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions","New Journal of Chemistry","2020","44","46","20167","20180","10.1039/D0NJ04328A","","","0.71073","MoKα","","0.0647","0.0432","","","0.1089","0.1215","","","","","","1.041","","","","has coordinates","260551","2021-01-06","03:04:46",""
"7060235","9.6619","0.0004","19.6122","0.0008","21.623","0.0009","90","","90","","90","","4097.4","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H17 F6 N O4 S -","- C21 H17 F6 N O4 S -","- C168 H136 F48 N8 O32 S8 -","8","1","","Grudova, Mariya V.; Gil, Diego M.; Khrustalev, Victor N.; Nikitina, Eugeniya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Kletskov, Alexey V.; Frontera, Antonio; Zubkov, Fedor I.","Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions","New Journal of Chemistry","2020","44","46","20167","20180","10.1039/D0NJ04328A","","","0.71073","MoKα","","0.0631","0.0434","","","0.1084","0.1209","","","","","","1.029","","","","has coordinates","260551","2021-01-06","03:04:46",""
"7060236","12.1236","0.0003","15.5201","0.0004","10.6655","0.0003","90","","101.754","0.001","90","","1964.73","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Br F6 N O4 S -","- C20 H14 Br F6 N O4 S -","- C80 H56 Br4 F24 N4 O16 S4 -","4","1","","Grudova, Mariya V.; Gil, Diego M.; Khrustalev, Victor N.; Nikitina, Eugeniya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Kletskov, Alexey V.; Frontera, Antonio; Zubkov, Fedor I.","Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions","New Journal of Chemistry","2020","44","46","20167","20180","10.1039/D0NJ04328A","","","0.71073","MoKα","","0.0318","0.0244","","","0.0601","0.063","","","","","","1.041","","","","has coordinates","260551","2021-01-06","03:04:46",""
"7060237","12.1445","0.0005","15.3437","0.0006","10.8727","0.0004","90","","101.776","0.001","90","","1983.39","0.13","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cl F6 N O4 S -","- C20 H14 Cl F6 N O4 S -","- C80 H56 Cl4 F24 N4 O16 S4 -","4","1","","Grudova, Mariya V.; Gil, Diego M.; Khrustalev, Victor N.; Nikitina, Eugeniya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Kletskov, Alexey V.; Frontera, Antonio; Zubkov, Fedor I.","Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions","New Journal of Chemistry","2020","44","46","20167","20180","10.1039/D0NJ04328A","","","0.71073","MoKα","","0.0604","0.0404","","","0.0958","0.1079","","","","","","1.02","","","","has coordinates,has disorder","260551","2021-01-06","03:04:46",""
"7060238","12.1261","0.0011","5.3231","0.0005","15.7434","0.0014","90","","99.951","0.006","90","","1000.92","0.16","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H14 F7 N O4 S -","- C20 H14 F7 N O4 S -","- C40 H28 F14 N2 O8 S2 -","2","1","","Grudova, Mariya V.; Gil, Diego M.; Khrustalev, Victor N.; Nikitina, Eugeniya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Kletskov, Alexey V.; Frontera, Antonio; Zubkov, Fedor I.","Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions","New Journal of Chemistry","2020","44","46","20167","20180","10.1039/D0NJ04328A","","","0.71073","MoKα","","0.1333","0.0919","","","0.2438","0.2739","","","","","","1.069","","","","has coordinates","260551","2021-01-06","03:04:46",""
"7060239","12.8242","0.0018","5.186","0.0007","14.912","0.002","90","","99.717","0.018","90","","977.5","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H14 Cl F6 N O4 S -","- C20 H14 Cl F6 N O4 S -","- C40 H28 Cl2 F12 N2 O8 S2 -","2","1","","Grudova, Mariya V.; Gil, Diego M.; Khrustalev, Victor N.; Nikitina, Eugeniya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Kletskov, Alexey V.; Frontera, Antonio; Zubkov, Fedor I.","Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions","New Journal of Chemistry","2020","44","46","20167","20180","10.1039/D0NJ04328A","","","0.79313","synchrotron","","0.0928","0.091","","","0.2213","0.2223","","","","","","1.057","","","","has coordinates,has disorder","260551","2021-01-06","03:04:46",""
"7060240","13.111","0.003","5.176","0.001","14.827","0.003","90","","99.291","0.01","90","","993","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H14 Br F6 N O4 S -","- C20 H14 Br F6 N O4 S -","- C40 H28 Br2 F12 N2 O8 S2 -","2","1","","Grudova, Mariya V.; Gil, Diego M.; Khrustalev, Victor N.; Nikitina, Eugeniya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Kletskov, Alexey V.; Frontera, Antonio; Zubkov, Fedor I.","Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions","New Journal of Chemistry","2020","44","46","20167","20180","10.1039/D0NJ04328A","","","0.79313","synchrotron","","0.0597","0.0557","","","0.1282","0.1312","","","","","","1.048","","","","has coordinates,has disorder","260551","2021-01-06","03:04:46",""
"7060241","12.3934","0.0003","16.166","0.0004","10.981","0.0002","90","","106.052","0.001","90","","2114.28","0.08","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F6 I N O4 S -","- C20 H14 F6 I N O4 S -","- C80 H56 F24 I4 N4 O16 S4 -","4","1","","Grudova, Mariya V.; Gil, Diego M.; Khrustalev, Victor N.; Nikitina, Eugeniya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Kletskov, Alexey V.; Frontera, Antonio; Zubkov, Fedor I.","Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions","New Journal of Chemistry","2020","44","46","20167","20180","10.1039/D0NJ04328A","","","0.71073","MoKα","","0.0561","0.0422","","","0.101","0.1105","","","","","","1.041","","","","has coordinates,has disorder","260551","2021-01-06","03:04:46",""
"7060242","7.0956","0.0005","7.2718","0.0005","7.8386","0.0005","64.685","0.003","84.284","0.003","86.291","0.003","363.69","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H17 N5 O12 Zn -","- C4 H17 N5 O12 Zn -","- C4 H17 N5 O12 Zn -","1","0.5","","Lemes, Maykon Alves; do Nascimento Neto, José Antônio; Fernandes Guimarães, Freddy; Maia, Lauro June Queiroz; de Santana, Ricardo Costa; Terra Martins, Felipe","Secondary ligands and the intramolecular hydrogen bonds drive photoluminescence quantum yields from aminopyrazine coordination polymers","New Journal of Chemistry","2020","44","46","20259","20266","10.1039/D0NJ04558F","","","0.71073","MoKα","","0.0518","0.0488","","","0.1479","0.1491","","","","","","1.086","","","","has coordinates,has disorder","260552","2021-01-06","03:05:43",""
"7060243","7.451","0.004","7.883","0.003","11.51","0.006","88.788","0.011","89.634","0.013","63.936","0.018","607.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H11 Cd N5 O9 -","- C4 H11 Cd N5 O9 -","- C8 H22 Cd2 N10 O18 -","2","1","","Lemes, Maykon Alves; do Nascimento Neto, José Antônio; Fernandes Guimarães, Freddy; Maia, Lauro June Queiroz; de Santana, Ricardo Costa; Terra Martins, Felipe","Secondary ligands and the intramolecular hydrogen bonds drive photoluminescence quantum yields from aminopyrazine coordination polymers","New Journal of Chemistry","2020","44","46","20259","20266","10.1039/D0NJ04558F","","","0.71073","MoKα","","0.1106","0.0541","","","0.1397","0.1607","","","","","","1.03","","","","has coordinates","260552","2021-01-06","03:05:43",""
"7060244","37.242","0.004","14.5585","0.0016","13.8929","0.0015","90","","98.054","0.004","90","","7458.3","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40.5 H28.5 Cu2 N8.5 O8 -","- C40.5 H28.5 Cu2 N8.5 O8 -","- C324 H228 Cu16 N68 O64 -","8","1","","Ghosh, Soumen; Khan, Mehebub Ali; Bhattacharyya, Arghyadeep; Alam, Md. Akhtarul; Zangrando, Ennio; Guchhait, Nikhil","Cu(ii)-induced twisting of the biphenyl core: exploring the effect of structure and coordination environment of biphenyl-based chiral copper(ii) complexes on interaction with calf-thymus DNA","New Journal of Chemistry","2020","44","46","20275","20284","10.1039/C9NJ06184C","","","0.71073","MoKα","","0.076","0.0449","","","0.115","0.1294","","","","","","1.032","","","","has coordinates","260553","2021-01-06","03:06:55",""
"7060245","11.985","0.003","11.954","0.003","22.679","0.005","90","","97.516","0.003","90","","3221.3","1.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 N6 O10 -","- C32 H28 N6 O10 -","- C128 H112 N24 O40 -","4","1","","Ghosh, Soumen; Khan, Mehebub Ali; Bhattacharyya, Arghyadeep; Alam, Md. Akhtarul; Zangrando, Ennio; Guchhait, Nikhil","Cu(ii)-induced twisting of the biphenyl core: exploring the effect of structure and coordination environment of biphenyl-based chiral copper(ii) complexes on interaction with calf-thymus DNA","New Journal of Chemistry","2020","44","46","20275","20284","10.1039/C9NJ06184C","","","0.71073","MoKα","","0.1774","0.062","","","0.1408","0.1781","","","","","","0.824","","","","has coordinates,has disorder","260553","2021-01-06","03:07:05",""
"7060246","13.0869","0.0004","23.3791","0.0007","14.8644","0.0004","90","","116.107","0.001","90","","4083.9","0.2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H33 Cl Cu2 N6 O8 -","- C46 H33 Cl Cu2 N6 O8 -","- C184 H132 Cl4 Cu8 N24 O32 -","4","1","","Ghosh, Soumen; Khan, Mehebub Ali; Bhattacharyya, Arghyadeep; Alam, Md. Akhtarul; Zangrando, Ennio; Guchhait, Nikhil","Cu(ii)-induced twisting of the biphenyl core: exploring the effect of structure and coordination environment of biphenyl-based chiral copper(ii) complexes on interaction with calf-thymus DNA","New Journal of Chemistry","2020","44","46","20275","20284","10.1039/C9NJ06184C","","","0.71073","MoKα","","0.0502","0.0342","","","0.0866","0.0968","","","","","","1.045","","","","has coordinates,has disorder","260553","2021-01-06","03:07:08",""
"7060247","26.29","0.04","9.937","0.015","17.57","0.03","90","","121.9","0.02","90","","3897","11","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H31 Cl Cu2 N6 O9 -","- C38 H31 Cl Cu2 N6 O9 -","- C152 H124 Cl4 Cu8 N24 O36 -","4","0.5","","Ghosh, Soumen; Khan, Mehebub Ali; Bhattacharyya, Arghyadeep; Alam, Md. Akhtarul; Zangrando, Ennio; Guchhait, Nikhil","Cu(ii)-induced twisting of the biphenyl core: exploring the effect of structure and coordination environment of biphenyl-based chiral copper(ii) complexes on interaction with calf-thymus DNA","New Journal of Chemistry","2020","44","46","20275","20284","10.1039/C9NJ06184C","","","0.71073","MoKα","","0.1125","0.0828","","","0.2208","0.2361","","","","","","1.124","","","","has coordinates,has disorder","260553","2021-01-06","03:07:19",""
"7060248","16.791","0.004","14.91","0.004","20.068","0.007","90","","92.35","0.05","90","","5020","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N4 O4 -","- C28 H22 N4 O4 -","- C224 H176 N32 O32 -","8","1","","Ghosh, Soumen; Khan, Mehebub Ali; Bhattacharyya, Arghyadeep; Alam, Md. Akhtarul; Zangrando, Ennio; Guchhait, Nikhil","Cu(ii)-induced twisting of the biphenyl core: exploring the effect of structure and coordination environment of biphenyl-based chiral copper(ii) complexes on interaction with calf-thymus DNA","New Journal of Chemistry","2020","44","46","20275","20284","10.1039/C9NJ06184C","","","0.71073","MoKα","","0.0906","0.0473","","","0.1126","0.1288","","","","","","0.976","","","","has coordinates","260553","2021-01-06","03:07:19",""
"7060249","11.1803","0.0002","11.3573","0.0002","15.1698","0.0003","90","","94.906","0.002","90","","1919.17","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Br2 Cu N3 O7 -","- C16 H13 Br2 Cu N3 O7 -","- C64 H52 Br8 Cu4 N12 O28 -","4","1","","Zahmati Eraj, Malihe; Eriksson, Lars; Alibolandi, Mona; Babaei, Maryam; Saljooghi, Amir Sh.; Ramezani, Mohammad","Synthesis, X-ray structure, antiproliferative activity, interaction with HSA and docking studies of three novel mono and binuclear copper complexes containing the maltol ligand","New Journal of Chemistry","2020","44","46","20101","20114","10.1039/D0NJ03552A","","","0.71073","MoKα","","0.0542","0.048","","","0.1203","0.1254","","","","","","1.104","","","","has coordinates","260554","2021-01-06","03:08:26",""
"7060250","8.0772","0.0002","14.817","0.0003","15.2106","0.0003","90","","101.928","0.002","90","","1781.1","0.07","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cu F6 N2 O3 P -","- C16 H13 Cu F6 N2 O3 P -","- C64 H52 Cu4 F24 N8 O12 P4 -","4","1","","Zahmati Eraj, Malihe; Eriksson, Lars; Alibolandi, Mona; Babaei, Maryam; Saljooghi, Amir Sh.; Ramezani, Mohammad","Synthesis, X-ray structure, antiproliferative activity, interaction with HSA and docking studies of three novel mono and binuclear copper complexes containing the maltol ligand","New Journal of Chemistry","2020","44","46","20101","20114","10.1039/D0NJ03552A","","","0.71073","MoKα","","0.053","0.0485","","","0.136","0.1399","","","","","","1.051","","","","has coordinates","260554","2021-01-06","03:08:27",""
"7060251","8.153","0.002","11.328","0.003","22.236","0.007","93.697","0.007","92.344","0.007","107.709","0.007","1948.3","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H13 Cu F6 N2 O3 P -","- C18 H13 Cu F6 N2 O3 P -","- C72 H52 Cu4 F24 N8 O12 P4 -","4","2","","Zahmati Eraj, Malihe; Eriksson, Lars; Alibolandi, Mona; Babaei, Maryam; Saljooghi, Amir Sh.; Ramezani, Mohammad","Synthesis, X-ray structure, antiproliferative activity, interaction with HSA and docking studies of three novel mono and binuclear copper complexes containing the maltol ligand","New Journal of Chemistry","2020","44","46","20101","20114","10.1039/D0NJ03552A","","","0.71073","MoKα","","0.1827","0.1266","","","0.2552","0.2786","","","","","","1.179","","","","has coordinates","294326","2024-09-02","09:37:26",""
"7060252","10.3098","0.0008","7.7221","0.0014","26.353","0.002","90","","90","","90","","2098","0.4","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","1","","Zhou, Zhiqiang; Xu, Yao; Zhu, Boyu; Li, Ping; Hu, Guiwen; Yang, Fan; Xu, Shijie; Zhang, Xiaoxiang","One-pot synthesis of 3-hydroxy-2-oxindoles via acyloin rearrangements of 2-hydroxy-indolin-3-ones generated in situ from 2-alkynyl arylazides","New Journal of Chemistry","2020","44","46","20303","20307","10.1039/D0NJ04588H","","x-ray","0.71073","MoKα","","0.0498","0.0404","","","0.0899","0.0949","","","","","","1.077","","","","has coordinates","260555","2021-01-06","03:08:58",""
"7060253","8.637","0.0017","15.795","0.003","18.196","0.004","90","","98.15","0.03","90","","2457.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 O2 P2 Pt Si2 -","- C18 H36 O2 P2 Pt Si2 -","- C72 H144 O8 P8 Pt4 Si8 -","4","1","","Song, Hao; Zhang, Sen-Yu; Gu, Peng-Fei; Wu, Hua-Yu; Wang, Zi-Kun; Wang, Shi; Wang, Zheng; Gu, Yu-Yang; Li, Yong-Hua","Trapping of two mononuclear silyl platinum(ii)/palladium(ii) complexes and a unique dinuclear bis(μ2-disilene)(silyl)nickel(ii) complex","New Journal of Chemistry","2020","44","46","20351","20357","10.1039/D0NJ04079G","","","0.71073","MoKα","","0.1121","0.1075","","","0.2326","0.2375","","","","","","1.137","","","","has coordinates","260556","2021-01-06","03:09:40",""
"7060254","11.74","0.002","15.22","0.003","21.43","0.004","70.53","0.03","80.01","0.03","76.47","0.03","3490.9","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H108 Ni2 P4 Si4 -","- C64 H108 Ni2 P4 Si4 -","- C128 H216 Ni4 P8 Si8 -","2","1","","Song, Hao; Zhang, Sen-Yu; Gu, Peng-Fei; Wu, Hua-Yu; Wang, Zi-Kun; Wang, Shi; Wang, Zheng; Gu, Yu-Yang; Li, Yong-Hua","Trapping of two mononuclear silyl platinum(ii)/palladium(ii) complexes and a unique dinuclear bis(μ2-disilene)(silyl)nickel(ii) complex","New Journal of Chemistry","2020","44","46","20351","20357","10.1039/D0NJ04079G","","","0.71073","MoKα","","0.1065","0.0566","","","0.1228","0.1332","","","","","","0.794","","","","has coordinates","260556","2021-01-06","03:09:40",""
"7060255","11.747","0.002","13.118","0.003","13.202","0.003","94.02","0.03","113.95","0.03","95.58","0.03","1836.9","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H50 P2 Pd Si2 -","- C40 H50 P2 Pd Si2 -","- C80 H100 P4 Pd2 Si4 -","2","1","","Song, Hao; Zhang, Sen-Yu; Gu, Peng-Fei; Wu, Hua-Yu; Wang, Zi-Kun; Wang, Shi; Wang, Zheng; Gu, Yu-Yang; Li, Yong-Hua","Trapping of two mononuclear silyl platinum(ii)/palladium(ii) complexes and a unique dinuclear bis(μ2-disilene)(silyl)nickel(ii) complex","New Journal of Chemistry","2020","44","46","20351","20357","10.1039/D0NJ04079G","","","0.71073","MoKα","","0.0354","0.0333","","","0.0977","0.099","","","","","","1.07","","","","has coordinates","260556","2021-01-06","03:09:41",""
"7060256","5.9147","0.0004","9.6733","0.0007","9.9806","0.0007","74.397","0.004","77.06","0.003","79.148","0.004","531.02","0.07","99","2","99","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H6 Cl2 Mn N2 O3 -","- C7 H6 Cl2 Mn N2 O3 -","- C14 H12 Cl4 Mn2 N4 O6 -","2","1","","Dutta, Debajit; Sharma, Pranay; Frontera, Antonio; Gogoi, Anshuman; Verma, Akalesh K.; Dutta, Diksha; Sarma, Bipul; Bhattacharyya, Manjit K.","Oxalato bridged coordination polymer of manganese(iii) involving unconventional O⋯π-hole(nitrile) and antiparallel nitrile⋯nitrile contacts: antiproliferative evaluation and theoretical studies","New Journal of Chemistry","2020","44","46","20021","20038","10.1039/D0NJ03712E","","","0.71073","MoKα","","0.0773","0.0753","","","0.2723","0.2732","","","","","","1.089","","","","has coordinates","260557","2021-01-06","03:10:20",""
"7124022","20.4932","0.0017","25.8736","0.0011","9.652","0.0004","90","","99.109","0.006","90","","5053.3","0.5","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H20.5 N3 O2.5 Zn -","- C20.5 H17.5 N3 O2 Zn -","- C164 H140 N24 O16 Zn8 -","8","1","","Ma, Xue; Zhang, Yanhao; Gao, Yu; Li, Xinglin; Wang, Cuijie; Yuan, Hang; Yu, Ajuan; Zhang, Shusheng; Cui, Yuanyuan","Revelation of the chiral recognition of alanine and leucine in an l-phenylalanine-based metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","7","1034","1037","10.1039/c9cc05912a","","x-ray","0.71073","MoKα","","0.1252","0.1005","","","0.3675","0.3893","","","","","","1.065","","","","has coordinates,has disorder","247604","2020-10-21","18:00:00",""
"7124515","11.36657","0.00018","11.383","0.0002","17.2143","0.0002","76.7608","0.0013","71.473","0.0012","64.7231","0.0017","1898.3","0.06","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H46 Cu F6 N6 P -","- C41 H46 Cu F6 N6 P -","- C82 H92 Cu2 F12 N12 P2 -","2","1","","Karimata, Ayumu; Patil, Pradnya H.; Khaskin, Eugene; Lapointe, Sébastien; Fayzullin, Robert R.; Stampoulis, Pavlos; Khusnutdinova, Julia R.","Highly sensitive mechano-controlled luminescence in polymer films modified by dynamic Cu<sup>I</sup>-based cross-linkers.","Chemical communications (Cambridge, England)","2020","56","1","50","53","10.1039/c9cc08354e","","x-ray","0.71073","MoKα","","0.0357","0.0318","","","0.0827","0.0843","","","","","","1.027","","","","has coordinates","247568","2020-10-21","18:00:00",""
"7124516","10.8787","0.0002","19.7204","0.0004","18.0429","0.0004","90","","94.732","0.002","90","","3857.59","0.14","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H46 Cu F6 N6 P -","- C41 H46 Cu F6 N6 P -","- C164 H184 Cu4 F24 N24 P4 -","4","1","","Karimata, Ayumu; Patil, Pradnya H.; Khaskin, Eugene; Lapointe, Sébastien; Fayzullin, Robert R.; Stampoulis, Pavlos; Khusnutdinova, Julia R.","Highly sensitive mechano-controlled luminescence in polymer films modified by dynamic Cu<sup>I</sup>-based cross-linkers.","Chemical communications (Cambridge, England)","2020","56","1","50","53","10.1039/c9cc08354e","","x-ray","0.71073","MoKα","","0.0421","0.0407","","","0.1069","0.1079","","","","","","1.083","","","","has coordinates,has disorder","247568","2020-10-21","18:00:00",""
"7124517","15.83319","0.00017","17.71151","0.00019","12.63601","0.00015","90","","97.3523","0.001","90","","3514.38","0.07","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H38 Cu F6 N6 P -","- C37 H38 Cu F6 N6 P -","- C148 H152 Cu4 F24 N24 P4 -","4","1","","Karimata, Ayumu; Patil, Pradnya H.; Khaskin, Eugene; Lapointe, Sébastien; Fayzullin, Robert R.; Stampoulis, Pavlos; Khusnutdinova, Julia R.","Highly sensitive mechano-controlled luminescence in polymer films modified by dynamic Cu<sup>I</sup>-based cross-linkers.","Chemical communications (Cambridge, England)","2020","56","1","50","53","10.1039/c9cc08354e","","x-ray","0.71073","MoKα","","0.0376","0.0331","","","0.0797","0.0813","","","","","","1.033","","","","has coordinates,has disorder","247568","2020-10-21","18:00:00",""
"7124518","20.03506","0.00017","13.30252","0.00012","15.03486","0.00014","90","","90","","90","","4007.04","0.06","93","2","93","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C43 H50 Cu F6 N6 P -","- C43 H50 Cu F6 N6 P -","- C172 H200 Cu4 F24 N24 P4 -","4","1","","Karimata, Ayumu; Patil, Pradnya H.; Khaskin, Eugene; Lapointe, Sébastien; Fayzullin, Robert R.; Stampoulis, Pavlos; Khusnutdinova, Julia R.","Highly sensitive mechano-controlled luminescence in polymer films modified by dynamic Cu<sup>I</sup>-based cross-linkers.","Chemical communications (Cambridge, England)","2020","56","1","50","53","10.1039/c9cc08354e","","x-ray","0.71073","MoKα","","0.0406","0.0392","","","0.1009","0.1018","","","","","","1.094","","","","has coordinates","247568","2020-10-21","18:00:00",""
"7125427","16.4849","0.0008","10.3567","0.0003","19.7384","0.0008","90","","98.596","0.005","90","","3332.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6a","product","","- C38 H38 N2 O4 S2 -","- C36 H38 N4 O4 S2 -","- C144 H152 N16 O16 S8 -","4","1","","Chen, Si-Kai; Yang, Ju-Song; Dai, Kun-Long; Zhang, Fu-Min; Zhang, Xiao-Ming; Tu, Yong-Qiang","Exploration of a KI-catalyzed oxidation system for direct construction of bispyrrolidino[2,3-b]indolines and the total synthesis of (+)-WIN 64821.","Chemical communications (Cambridge, England)","2020","56","1","121","124","10.1039/c9cc08646c","","","0.71","MoKα","","0.1081","0.0579","","","0.1276","0.1617","","","","","","0.94","","","","has coordinates","247570","2020-10-21","18:00:00",""
"7125428","27.8895","0.0003","6.8639","0.0001","34.3921","0.0003","90","","105.296","0.001","90","","6350.48","0.13","99.99","0.1","","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","(E)-8-(2-fluoro-1-iodo-2-phenylvinyl)-4-methyldihydro-4l4,8l4-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborole-2,6(3H,5H)-dione","","- C13 H12 B F I N O4 -","- C13 H12 B F I N O4 -","- C208 H192 B16 F16 I16 N16 O64 -","16","2","","Fan, Wen-Xin; Li, Ji-Lin; Lv, Wen-Xin; Yang, Ling; Li, Qingjiang; Wang, Honggen","Synthesis of fluorinated amphoteric organoborons via iodofluorination of alkynyl and alkenyl MIDA boronates.","Chemical communications (Cambridge, England)","2020","56","1","82","85","10.1039/c9cc08386c","","x-ray","1.54184","CuKα","","0.0324","0.031","","","0.082","0.0844","","","","","","1.048","","","","has coordinates","247575","2020-10-21","18:00:00",""
"7125429","12.6367","0.0003","14.4997","0.0003","15.6349","0.0004","90","","90","","90","","2864.76","0.12","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C13 H14 B F I N O4 -","- C13 H14 B F I N O4 -","- C104 H112 B8 F8 I8 N8 O32 -","8","1","","Fan, Wen-Xin; Li, Ji-Lin; Lv, Wen-Xin; Yang, Ling; Li, Qingjiang; Wang, Honggen","Synthesis of fluorinated amphoteric organoborons via iodofluorination of alkynyl and alkenyl MIDA boronates.","Chemical communications (Cambridge, England)","2020","56","1","82","85","10.1039/c9cc08386c","","x-ray","1.54184","CuKα","","0.0688","0.0631","","","0.1825","0.1931","","","","","","1.117","","","","has coordinates","247575","2020-10-21","18:00:00",""
"7125430","12.7883","0.0002","11.1705","0.0002","10.9261","0.0002","90","","102.02","0.002","90","","1526.59","0.05","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 B F I N O4 -","- C14 H16 B F I N O4 -","- C56 H64 B4 F4 I4 N4 O16 -","4","1","","Fan, Wen-Xin; Li, Ji-Lin; Lv, Wen-Xin; Yang, Ling; Li, Qingjiang; Wang, Honggen","Synthesis of fluorinated amphoteric organoborons via iodofluorination of alkynyl and alkenyl MIDA boronates.","Chemical communications (Cambridge, England)","2020","56","1","82","85","10.1039/c9cc08386c","","","1.54184","CuKα","","0.0322","0.0309","","","0.0862","0.087","","","","","","1.137","","","","has coordinates","247575","2020-10-21","18:00:00",""
"7125441","8.8117","0.0005","5.8923","0.0003","11.6496","0.0007","90","","101.722","0.005","90","","592.25","0.06","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C28 H32 O4 -","2","0.5","","Inaba, Yuya; Yoneda, Tomoki; Kitagawa, Yuichi; Miyata, Kiyoshi; Hasegawa, Yasuchika; Inokuma, Yasuhide","Splitting and reorientation of π-conjugation by an unprecedented photo-rearrangement reaction.","Chemical communications (Cambridge, England)","2020","56","3","348","351","10.1039/c9cc09062b","","x-ray","0.71073","MoKα","","0.0409","0.036","","","0.0904","0.0933","","","","","","1.028","","","","has coordinates","247623","2020-10-21","18:00:00",""
"7125442","8.6894","0.0004","5.8144","0.0003","23.4264","0.0012","90","","99.837","0.005","90","","1166.19","0.1","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 O4 -","- C28 H34 O4 -","- C56 H68 O8 -","2","0.5","","Inaba, Yuya; Yoneda, Tomoki; Kitagawa, Yuichi; Miyata, Kiyoshi; Hasegawa, Yasuchika; Inokuma, Yasuhide","Splitting and reorientation of π-conjugation by an unprecedented photo-rearrangement reaction.","Chemical communications (Cambridge, England)","2020","56","3","348","351","10.1039/c9cc09062b","","x-ray","0.71073","MoKα","","0.085","0.076","","","0.2267","0.2395","","","","","","1.078","","","","has coordinates","247623","2020-10-21","18:00:00",""
"7125443","8.7961","0.0006","5.8385","0.0004","22.8947","0.0014","90","","99.317","0.006","90","","1160.27","0.13","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 O4 -","- C28 H30 O4 -","- C56 H60 O8 -","2","0.5","","Inaba, Yuya; Yoneda, Tomoki; Kitagawa, Yuichi; Miyata, Kiyoshi; Hasegawa, Yasuchika; Inokuma, Yasuhide","Splitting and reorientation of π-conjugation by an unprecedented photo-rearrangement reaction.","Chemical communications (Cambridge, England)","2020","56","3","348","351","10.1039/c9cc09062b","","x-ray","0.71073","MoKα","","0.097","0.0814","","","0.2146","0.225","","","","","","1.122","","","","has coordinates","247623","2020-10-21","18:00:00",""
"7125444","12.6447","0.0004","17.9325","0.0005","10.8014","0.0003","90","","103.228","0.003","90","","2384.24","0.12","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 O4 -","- C28 H30 O4 -","- C112 H120 O16 -","4","1","","Inaba, Yuya; Yoneda, Tomoki; Kitagawa, Yuichi; Miyata, Kiyoshi; Hasegawa, Yasuchika; Inokuma, Yasuhide","Splitting and reorientation of π-conjugation by an unprecedented photo-rearrangement reaction.","Chemical communications (Cambridge, England)","2020","56","3","348","351","10.1039/c9cc09062b","","x-ray","0.71073","MoKα","","0.0432","0.0391","","","0.1002","0.1036","","","","","","1.052","","","","has coordinates","247623","2020-10-21","18:00:00",""
"7125445","10.3325","0.0002","12.4358","0.0003","21.5144","0.0005","95.149","0.002","99.946","0.002","98.812","0.002","2671.52","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H32 I14 N4 -","- C36 H32 I14 N4 -","- C72 H64 I28 N8 -","2","1","","Savastano, Matteo; Bazzicalupi, Carla; Gellini, Cristina; Bianchi, Antonio","Infinite supramolecular pseudo-polyrotaxane with poly[3]catenane axle: assembling nanosized rings from mono- and diatomic I<sup>-</sup> and I<sub>2</sub> tectons.","Chemical communications (Cambridge, England)","2020","56","4","551","554","10.1039/c9cc08367g","","x-ray","0.71073","MoKα","","0.1093","0.0865","","","0.1697","0.1772","","","","","","1.113","","","","has coordinates","247592","2020-10-21","18:00:00",""
"7125446","10.1476","0.0007","13.0508","0.001","21.8164","0.0017","94.315","0.006","100.436","0.006","97.64","0.006","2801.6","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H32 I16 N4 -","- C36 H32 I16 N4 -","- C72 H64 I32 N8 -","2","1","","Savastano, Matteo; Bazzicalupi, Carla; Gellini, Cristina; Bianchi, Antonio","Infinite supramolecular pseudo-polyrotaxane with poly[3]catenane axle: assembling nanosized rings from mono- and diatomic I<sup>-</sup> and I<sub>2</sub> tectons.","Chemical communications (Cambridge, England)","2020","56","4","551","554","10.1039/c9cc08367g","","x-ray","0.71073","MoKα","","0.177","0.091","","","0.2019","0.2618","","","","","","1.064","","","","has coordinates","247592","2020-10-21","18:00:00",""
"7125447","31.9544","0.001","16.4618","0.0005","17.8159","0.0005","90","","104.814","0.002","90","","9060.1","0.5","100","","99.71","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C78 H62 B2 Fe N6 O8 -","- C78 H62 B2 Fe N6 O8 -","- C312 H248 B8 Fe4 N24 O32 -","4","1","","Sun, Xiao-Peng; Tang, Zheng; Yao, Zi-Shuo; Tao, Jun","A homochiral 3D framework of mechanically interlocked 1D loops with solvent-dependent spin-state switching behaviors.","Chemical communications (Cambridge, England)","2020","56","1","133","136","10.1039/c9cc09063k","","","1.54178","CuKα","","0.1121","0.0695","","","0.1738","0.1967","","","","","","0.943","","","","has coordinates,has disorder","247565","2020-10-21","18:00:00",""
"7125448","32.761","0.008","16.907","0.004","18.032","0.004","90","","106.009","0.009","90","","9600","4","240","","239.99","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C78 H62 B2 Fe N6 O8 -","- C78 H62 B2 Fe N6 O8 -","- C312 H248 B8 Fe4 N24 O32 -","4","1","","Sun, Xiao-Peng; Tang, Zheng; Yao, Zi-Shuo; Tao, Jun","A homochiral 3D framework of mechanically interlocked 1D loops with solvent-dependent spin-state switching behaviors.","Chemical communications (Cambridge, England)","2020","56","1","133","136","10.1039/c9cc09063k","","","1.54184","CuKα","","0.1439","0.0774","","","0.1999","0.2429","","","","","","0.92","","","","has coordinates,has disorder","247565","2020-10-21","18:00:00",""
"7125449","32.45","0.02","16.983","0.009","18.105","0.014","90","","106.85","0.04","90","","9549","11","240","","240","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C78 H62 B2 Fe N6 O8 -","- C78 H62 B2 Fe N6 O8 -","- C312 H248 B8 Fe4 N24 O32 -","4","1","","Sun, Xiao-Peng; Tang, Zheng; Yao, Zi-Shuo; Tao, Jun","A homochiral 3D framework of mechanically interlocked 1D loops with solvent-dependent spin-state switching behaviors.","Chemical communications (Cambridge, England)","2020","56","1","133","136","10.1039/c9cc09063k","","","1.54184","CuKα","","0.1065","0.0619","","","0.1526","0.1763","","","","","","0.909","","","","has coordinates","247565","2020-10-21","18:00:00",""
"7125450","32.027","0.015","16.64","0.01","17.903","0.008","90","","105.183","0.014","90","","9208","8","160","2","159.99","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C78 H62 B2 Fe N6 O8 -","- C78 H62 B2 Fe N6 O8 -","- C312 H248 B8 Fe4 N24 O32 -","4","1","","Sun, Xiao-Peng; Tang, Zheng; Yao, Zi-Shuo; Tao, Jun","A homochiral 3D framework of mechanically interlocked 1D loops with solvent-dependent spin-state switching behaviors.","Chemical communications (Cambridge, England)","2020","56","1","133","136","10.1039/c9cc09063k","","","1.54184","CuKα","","0.0907","0.0655","","","0.1774","0.192","","","","","","1.048","","","","has coordinates,has disorder","247565","2020-10-21","18:00:00",""
"7125451","31.8352","0.0013","16.6477","0.0006","17.9355","0.0006","90","","105.495","0.002","90","","9160","0.6","100","2","99.72","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C78 H62 B2 Fe N6 O8 -","- C78 H62 B2 Fe N6 O8 -","- C312 H248 B8 Fe4 N24 O32 -","4","1","","Sun, Xiao-Peng; Tang, Zheng; Yao, Zi-Shuo; Tao, Jun","A homochiral 3D framework of mechanically interlocked 1D loops with solvent-dependent spin-state switching behaviors.","Chemical communications (Cambridge, England)","2020","56","1","133","136","10.1039/c9cc09063k","","","1.54178","CuKα","","0.1181","0.0712","","","0.1735","0.2","","","","","","0.916","","","","has coordinates","247565","2020-10-21","18:00:00",""
"7125452","18.08","0.006","16.715","0.006","32.015","0.008","90","","106.028","0.012","90","","9299","5","160","2","160.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C156 H124 B4 Fe2 N12 O16 -","- C156 H124 B4 Fe2 N12 O16 -","- C312 H248 B8 Fe4 N24 O32 -","2","1","","Sun, Xiao-Peng; Tang, Zheng; Yao, Zi-Shuo; Tao, Jun","A homochiral 3D framework of mechanically interlocked 1D loops with solvent-dependent spin-state switching behaviors.","Chemical communications (Cambridge, England)","2020","56","1","133","136","10.1039/c9cc09063k","","","1.54184","CuKα","","0.0829","0.0597","","","0.152","0.1619","","","","","","0.994","","","","has coordinates","247565","2020-10-21","18:00:00",""
"7125454","15.7507","0.0003","17.1271","0.0003","18.3836","0.0003","90","","104.119","0.002","90","","4809.42","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H55 N5 P2 -","- C57 H55 N5 P2 -","- C228 H220 N20 P8 -","4","1","","Groß, C; Sun, Y.; Jost, T.; Grimm, T.; Klein, M. P.; Niedner-Schatteburg, G; Becker, S.; Thiel, W. R.","Generation of a zinc and rhodium containing metallomacrocycle by rearrangement of a six-coordinate precursor complex.","Chemical communications (Cambridge, England)","2020","56","3","368","371","10.1039/c9cc07723e","","","1.54184","CuKα","","0.0407","0.0362","","","0.0933","0.0978","","","","","","1.038","","","","has coordinates,has disorder","247626","2020-10-21","18:00:00",""
"7125455","15.3537","0.0003","19.4633","0.0004","22.6951","0.0005","90.78","0.002","106.494","0.002","109.253","0.002","6096","0.2","150","2","150","2","","","","","","","","11","P -1","-P 1","2","","","","- C123 H124 B Cl6 F7 N10 O6 P4 Rh2 S Zn -","- C123 H124 B Cl6 F7 N10 O6 P4 Rh2 S Zn -","- C246 H248 B2 Cl12 F14 N20 O12 P8 Rh4 S2 Zn2 -","2","1","","Groß, C; Sun, Y.; Jost, T.; Grimm, T.; Klein, M. P.; Niedner-Schatteburg, G; Becker, S.; Thiel, W. R.","Generation of a zinc and rhodium containing metallomacrocycle by rearrangement of a six-coordinate precursor complex.","Chemical communications (Cambridge, England)","2020","56","3","368","371","10.1039/c9cc07723e","","","1.54184","CuKα","","0.0622","0.0525","","","0.1525","0.1599","","","","","","1.047","","","","has coordinates,has disorder","247626","2020-10-21","18:00:00",""
"7125625","9.2947","0.0001","11.819","0.0002","14.46","0.0006","85.569","0.006","82.125","0.007","67.021","0.006","1448.16","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H15 Cl N O P -","- C15 H15 Cl N O P -","- C60 H60 Cl4 N4 O4 P4 -","4","2","","Itazaki, Masumi; Matsutani, Takanari; Nochida, Tomoya; Moriuchi, Toshiyuki; Nakazawa, Hiroshi","Convenient synthesis of phosphinecarboxamide and phosphinecarbothioamide by hydrophosphination of isocyanates and isothiocyanates.","Chemical communications (Cambridge, England)","2020","56","3","443","445","10.1039/c9cc08329d","","","0.7107","MoKα","","0.0546","0.0478","","","0.1146","0.1187","","","","","","1.106","","","","has coordinates","247625","2020-10-21","18:00:00",""
"7125626","14.3301","0.0009","15.1075","0.001","26.1181","0.0019","82.634","0.002","76.623","0.003","70.379","0.002","5173.7","0.6","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C98 H126 Li2 O17.5 Sn7 -","- C94 H118 Li2 O16.5 Sn7 -","- C188 H236 Li4 O33 Sn14 -","2","1","","Steller, Beate G.; Fischer, Roland C.; Flock, Michaela; Hill, Michael S.; Liptrot, David J.; McMullin, Claire L.; Rajabi, Nasir A.; Tiefling, Kathrin; Wilson, Andrew S. S.","Reductive dehydrocoupling of diphenyltin dihydride with LiAlH<sub>4</sub>: selective synthesis and structures of the first bicyclo[2.2.1]heptastannane-1,4-diide and bicyclo[2.2.2]octastannane-1,4-diide.","Chemical communications (Cambridge, England)","2020","56","3","336","339","10.1039/c9cc07976a","","","0.71073","MoKα","","0.0568","0.0372","","","0.0912","0.1067","","","","","","1.037","","","","has coordinates,has disorder","247621","2020-10-21","18:00:00",""
"7125627","29.253","0.002","14.3128","0.0009","26.5807","0.0017","90","","90.276","0.003","90","","11129","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H140 Li2 O18 Sn8 -","- C104 H124 Li2 O16 Sn8 -","- C416 H496 Li8 O64 Sn32 -","4","1","","Steller, Beate G.; Fischer, Roland C.; Flock, Michaela; Hill, Michael S.; Liptrot, David J.; McMullin, Claire L.; Rajabi, Nasir A.; Tiefling, Kathrin; Wilson, Andrew S. S.","Reductive dehydrocoupling of diphenyltin dihydride with LiAlH<sub>4</sub>: selective synthesis and structures of the first bicyclo[2.2.1]heptastannane-1,4-diide and bicyclo[2.2.2]octastannane-1,4-diide.","Chemical communications (Cambridge, England)","2020","56","3","336","339","10.1039/c9cc07976a","","","0.71073","MoKα","","0.1064","0.0576","","","0.1202","0.1386","","","","","","1.015","","","","has coordinates,has disorder","247621","2020-10-21","18:00:00",""
"7125628","11.8667","0.0004","20.5281","0.0008","12.5639","0.0005","90","","106.359","0.001","90","","2936.67","0.19","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 Al Li O6 -","- C30 H42 Al Li O6 -","- C120 H168 Al4 Li4 O24 -","4","1","","Steller, Beate G.; Fischer, Roland C.; Flock, Michaela; Hill, Michael S.; Liptrot, David J.; McMullin, Claire L.; Rajabi, Nasir A.; Tiefling, Kathrin; Wilson, Andrew S. S.","Reductive dehydrocoupling of diphenyltin dihydride with LiAlH<sub>4</sub>: selective synthesis and structures of the first bicyclo[2.2.1]heptastannane-1,4-diide and bicyclo[2.2.2]octastannane-1,4-diide.","Chemical communications (Cambridge, England)","2020","56","3","336","339","10.1039/c9cc07976a","","","0.71073","MoKα","","0.0745","0.0542","","","0.1421","0.1531","","","","","","1.049","","","","has coordinates,has disorder","247621","2020-10-21","18:00:00",""
"7125629","14.856","0.011","14.196","0.01","23.825","0.016","90","","90","","90","","5025","6","100","2","99.98","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H40 Al Li O8 -","- C22 H40 Al Li O8 -","- C176 H320 Al8 Li8 O64 -","8","1","","Steller, Beate G.; Fischer, Roland C.; Flock, Michaela; Hill, Michael S.; Liptrot, David J.; McMullin, Claire L.; Rajabi, Nasir A.; Tiefling, Kathrin; Wilson, Andrew S. S.","Reductive dehydrocoupling of diphenyltin dihydride with LiAlH<sub>4</sub>: selective synthesis and structures of the first bicyclo[2.2.1]heptastannane-1,4-diide and bicyclo[2.2.2]octastannane-1,4-diide.","Chemical communications (Cambridge, England)","2020","56","3","336","339","10.1039/c9cc07976a","","","0.71073","MoKα","","0.0947","0.0703","","","0.1843","0.2052","","","","","","1.135","","","","has coordinates","247621","2020-10-21","18:00:00",""
"7125630","14.2707","0.0006","14.2569","0.0006","31.4766","0.0013","70.797","0.002","67.696","0.002","60.735","0.002","5086.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H90 Li O8 Sn8 -","- C90 H87 Li0.5 O6 Sn8 -","- C180 H174 Li O12 Sn16 -","2","1","","Steller, Beate G.; Fischer, Roland C.; Flock, Michaela; Hill, Michael S.; Liptrot, David J.; McMullin, Claire L.; Rajabi, Nasir A.; Tiefling, Kathrin; Wilson, Andrew S. S.","Reductive dehydrocoupling of diphenyltin dihydride with LiAlH<sub>4</sub>: selective synthesis and structures of the first bicyclo[2.2.1]heptastannane-1,4-diide and bicyclo[2.2.2]octastannane-1,4-diide.","Chemical communications (Cambridge, England)","2020","56","3","336","339","10.1039/c9cc07976a","","","0.71073","MoKα","","0.1763","0.1291","","","0.3265","0.3742","","","","","","1.035","","","","has coordinates,has disorder","247621","2020-10-21","18:00:00",""
"7125634","12.0829","0.0002","14.8643","0.0003","21.7404","0.0015","89.974","0.006","89.321","0.006","75.472","0.007","3779.5","0.3","123","","123","","","","","","","","","4","P -1","-P 1","2","","H4-1","","- C81 H118 N2 O10 -","- C81 H118 N2 O10 -","- C162 H236 N4 O20 -","2","1","","Ji, Jiecheng; Li, Yizhou; Xiao, Chao; Cheng, Guo; Luo, Kui; Gong, Qiyong; Zhou, Dayang; Chruma, Jason J.; Wu, Wanhua; Yang, Cheng","Supramolecular enantiomeric and structural differentiation of amino acid derivatives with achiral pillar[5]arene homologs.","Chemical communications (Cambridge, England)","2020","56","1","161","164","10.1039/c9cc08541f","","","1.54187","CuKα","","0.136","0.0831","","","0.2333","0.2672","","","","","","0.961","","","","has coordinates","247567","2020-10-21","18:00:00",""
"7125635","12.4095","0.0004","20.4957","0.0006","21.0073","0.0015","112.176","0.008","96.805","0.007","98.937","0.007","4795.2","0.5","123","","123","","","","","","","","","4","P -1","-P 1","2","","H6-1","","- C101 H158 N2 O10 -","- C101 H158 N2 O10 -","- C202 H316 N4 O20 -","2","1","","Ji, Jiecheng; Li, Yizhou; Xiao, Chao; Cheng, Guo; Luo, Kui; Gong, Qiyong; Zhou, Dayang; Chruma, Jason J.; Wu, Wanhua; Yang, Cheng","Supramolecular enantiomeric and structural differentiation of amino acid derivatives with achiral pillar[5]arene homologs.","Chemical communications (Cambridge, England)","2020","56","1","161","164","10.1039/c9cc08541f","","","1.54187","CuKα","","0.1549","0.0895","","","0.2141","0.2434","","","","","","0.843","","","","has coordinates","247567","2020-10-21","18:00:00",""
"7125636","12.1416","0.0003","18.0125","0.0006","21.0862","0.0009","71.058","0.004","84.427","0.003","84.478","0.002","4331","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","H5-1","","- C91 H131.01 N2 O10 -","- C91.67 H125.044 N2 O10 -","- C183.34 H250.088 N4 O20 -","2","1","","Ji, Jiecheng; Li, Yizhou; Xiao, Chao; Cheng, Guo; Luo, Kui; Gong, Qiyong; Zhou, Dayang; Chruma, Jason J.; Wu, Wanhua; Yang, Cheng","Supramolecular enantiomeric and structural differentiation of amino acid derivatives with achiral pillar[5]arene homologs.","Chemical communications (Cambridge, England)","2020","56","1","161","164","10.1039/c9cc08541f","","x-ray","1.54184","CuKα","","0.1589","0.1334","","","0.3915","0.4254","","","","","","1.668","","","","has coordinates,has disorder","247567","2020-10-21","18:00:00",""
"7125637","12.9813","0.0005","20.477","0.0008","22.1377","0.0009","67.441","0.004","75.269","0.004","83.834","0.003","5255.4","0.4","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","H7-1","","- C111 H174 N2 O10 -","- C111 H174 N2 O10 -","- C222 H348 N4 O20 -","2","1","","Ji, Jiecheng; Li, Yizhou; Xiao, Chao; Cheng, Guo; Luo, Kui; Gong, Qiyong; Zhou, Dayang; Chruma, Jason J.; Wu, Wanhua; Yang, Cheng","Supramolecular enantiomeric and structural differentiation of amino acid derivatives with achiral pillar[5]arene homologs.","Chemical communications (Cambridge, England)","2020","56","1","161","164","10.1039/c9cc08541f","","x-ray","1.54184","CuKα","","0.1254","0.0903","","","0.2319","0.2612","","","","","","1.008","","","","has coordinates","247567","2020-10-21","18:00:00",""
"7125638","9.2441","0.0016","9.5954","0.0016","10.6672","0.0018","73.867","0.004","70.65","0.004","78.883","0.004","852.3","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H17 N O2 -","- C23 H17 N O2 -","- C46 H34 N2 O4 -","2","1","","Ajarul, Sk; Kayet, Anirban; Pati, Tanmay K.; Maiti, Dilip K.","A competitive and highly selective 7-, 6- and 5-annulation with 1,3-migration through C-H and N-H - alkyne coupling.","Chemical communications (Cambridge, England)","2020","56","3","474","477","10.1039/c9cc07360d","","","0.71073","MoKα","","0.062","0.0494","","","0.1318","0.1445","","","","","","1.034","","","","has coordinates","247620","2020-10-21","18:00:00",""
"7125639","8.893","0.009","10.21","0.011","11.258","0.01","80.88","0.04","85.5","0.03","69.03","0.03","942.2","1.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C48 H38 N2 O6 -","2","1","","Ajarul, Sk; Kayet, Anirban; Pati, Tanmay K.; Maiti, Dilip K.","A competitive and highly selective 7-, 6- and 5-annulation with 1,3-migration through C-H and N-H - alkyne coupling.","Chemical communications (Cambridge, England)","2020","56","3","474","477","10.1039/c9cc07360d","","","0.71073","MoKα","","0.1584","0.0729","","","0.1759","0.2191","","","","","","0.907","","","","has coordinates","287943","2023-12-01","18:00:39",""
"7125640","27.3577","0.0009","27.3577","0.0009","38.0332","0.0012","90","","90","","90","","28465.7","1.6","100","","100","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Fe40 Mo96 Na32 O625.43 P68 -","- Fe40 Mo96 Na32 O625.36 P68 -","- Fe80 Mo192 Na64 O1250.72 P136 -","2","0.0625","","Zhang, Shan; Lu, Ying; Sun, Xiu-Wei; Li, Zhuo; Dang, Tian-Yi; Zhang, Zhong; Tian, Hong-Rui; Liu, Shu-Xia","Purely inorganic frameworks based on polyoxometalate clusters with abundant phosphate groups: single-crystal to single-crystal structural transformation and remarkable proton conduction.","Chemical communications (Cambridge, England)","2020","56","3","391","394","10.1039/c9cc08696j","","","0.71073","MoKα","","0.0574","0.0388","","","0.0968","0.1064","","","","","","1.083","","","","has coordinates,has disorder","247622","2020-10-21","18:00:00",""
"7125641","27.3329","0.0012","27.3329","0.0012","37.8621","0.0014","90","","90","","90","","28286","2","100","","100","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Fe40 Mo96 Na32 O632 P68 -","- Fe40 Mo96 Na32 O632 P68 -","- Fe80 Mo192 Na64 O1264 P136 -","2","0.0625","","Zhang, Shan; Lu, Ying; Sun, Xiu-Wei; Li, Zhuo; Dang, Tian-Yi; Zhang, Zhong; Tian, Hong-Rui; Liu, Shu-Xia","Purely inorganic frameworks based on polyoxometalate clusters with abundant phosphate groups: single-crystal to single-crystal structural transformation and remarkable proton conduction.","Chemical communications (Cambridge, England)","2020","56","3","391","394","10.1039/c9cc08696j","","","0.71073","MoKα","","0.042","0.0317","","","0.0897","0.0962","","","","","","1.051","","","","has coordinates,has disorder","247622","2020-10-21","18:00:00",""
"7125642","20.6034","0.0004","11.5855","0.0002","35.7054","0.0008","90","","97.72","0.002","90","","8445.7","0.3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H54 O P2 Pd Si2 -","- C47 H54 O P2 Pd Si2 -","- C376 H432 O8 P16 Pd8 Si16 -","8","1","","Takahashi, Rina; Kubota, Koji; Ito, Hajime","Air- and moisture-stable Xantphos-ligated palladium dialkyl complex as a precatalyst for cross-coupling reactions.","Chemical communications (Cambridge, England)","2020","56","3","407","410","10.1039/c9cc06946a","","x-ray","0.71073","MoKα","","0.0381","0.0337","","","0.0821","0.084","","","","","","1.075","","","","has coordinates","247624","2020-10-21","18:00:00",""
"7125644","10.423","0.0003","20.3482","0.0007","17.1498","0.0007","90","","106.795","0.004","90","","3482.1","0.2","292.8","0.3","292.8","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 N6 O5 -","- C36 H48 N6 O5 -","- C144 H192 N24 O20 -","4","1","","Cho, Jihee; Verwilst, Peter; Kang, Minjung; Pan, Jia-Lin; Sharma, Amit; Hong, Chang Seop; Kim, Jong Seung; Kim, Sanghee","Crown ether-appended calix[2]triazolium[2]arene as a macrocyclic receptor for the recognition of the H<sub>2</sub>PO<sub>4</sub><sup>-</sup> anion.","Chemical communications (Cambridge, England)","2020","56","7","1038","1041","10.1039/c9cc08906c","","x-ray","1.54184","CuKα","","0.0901","0.0728","","","0.212","0.2348","","","","","","1.025","","","","has coordinates,has disorder","247605","2020-10-21","18:00:00",""
"7125645","10.4036","0.0002","19.888","0.0004","18.5228","0.0004","90","","103.284","0.002","90","","3729.95","0.13","292","3","292","3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H52 N6 O6 -","- C38 H52 N6 O6 -","- C152 H208 N24 O24 -","4","1","","Cho, Jihee; Verwilst, Peter; Kang, Minjung; Pan, Jia-Lin; Sharma, Amit; Hong, Chang Seop; Kim, Jong Seung; Kim, Sanghee","Crown ether-appended calix[2]triazolium[2]arene as a macrocyclic receptor for the recognition of the H<sub>2</sub>PO<sub>4</sub><sup>-</sup> anion.","Chemical communications (Cambridge, England)","2020","56","7","1038","1041","10.1039/c9cc08906c","","x-ray","1.54184","CuKα","","0.071","0.0643","","","0.1902","0.1986","","","","","","1.033","","","","has coordinates,has disorder","247605","2020-10-21","18:00:00",""
"7125646","9.699","0.0019","19.243","0.004","21.345","0.004","90","","94.14","0.03","90","","3973.4","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 N6 O8 -","- C40 H54 N6 O8 -","- C160 H216 N24 O32 -","4","1","","Cho, Jihee; Verwilst, Peter; Kang, Minjung; Pan, Jia-Lin; Sharma, Amit; Hong, Chang Seop; Kim, Jong Seung; Kim, Sanghee","Crown ether-appended calix[2]triazolium[2]arene as a macrocyclic receptor for the recognition of the H<sub>2</sub>PO<sub>4</sub><sup>-</sup> anion.","Chemical communications (Cambridge, England)","2020","56","7","1038","1041","10.1039/c9cc08906c","","","0.7","synchrotron","","0.1445","0.1082","","","0.3457","0.3798","","","","","","1.424","","","","has coordinates,has disorder","247605","2020-10-21","18:00:00",""
"7125647","12.961","0.003","19.32","0.004","20.237","0.004","90","","93.98","0.03","90","","5055.3","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 B1.5 F6 N6 O9 -","- C42 H48 B1.5 F6 N6 O9 -","- C168 H192 B6 F24 N24 O36 -","4","1","","Cho, Jihee; Verwilst, Peter; Kang, Minjung; Pan, Jia-Lin; Sharma, Amit; Hong, Chang Seop; Kim, Jong Seung; Kim, Sanghee","Crown ether-appended calix[2]triazolium[2]arene as a macrocyclic receptor for the recognition of the H<sub>2</sub>PO<sub>4</sub><sup>-</sup> anion.","Chemical communications (Cambridge, England)","2020","56","7","1038","1041","10.1039/c9cc08906c","","","0.7","synchrotron","","0.2805","0.2412","","","0.576","0.6016","","","","","","2.254","","","","has coordinates","247605","2020-10-21","18:00:00",""
"7125648","10.3139","0.0009","11.338","0.001","12.384","0.001","63.811","0.008","72.144","0.008","69.542","0.008","1197.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H29 Cl N2 O6 -","- C21 H29 Cl N2 O6 -","- C42 H58 Cl2 N4 O12 -","2","1","","Lei, Jian; Gao, Huaxin; Huang, Miaoling; Liu, Xiao; Mao, Yangfan; Xie, Xiaolan","Copper-catalyzed stereoselective alkylhydrazination of alkynes.","Chemical communications (Cambridge, England)","2020","56","6","920","923","10.1039/c9cc07998j","","","0.71073","MoKα","","0.0953","0.0528","","","0.1144","0.1395","","","","","","1.017","","","","has coordinates,has disorder","247602","2020-10-21","18:00:00",""
"7125649","14.7683","0.0009","9.6009","0.0005","12.4544","0.0007","90","","114.209","0.002","90","","1610.6","0.16","100.01","","100.01","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H31 N5 -","- C44 H31 N5 -","- C88 H62 N10 -","2","0.5","","Bousfiha, Asmae; Dimé, Abdou K D; Mankou-Makaya, Amelle; Echaubard, Julie; Berthelot, Mathieu; Cattey, Hélène; Romieu, Anthony; Roger, Julien; Devillers, Charles H.","Regioselective C-H amination of free base porphyrins via electrogenerated pyridinium-porphyrins and stabilization of easily oxidized amino-porphyrins by protonation.","Chemical communications (Cambridge, England)","2020","56","6","884","887","10.1039/c9cc07351e","","x-ray","0.71073","MoKα","","0.0753","0.0517","","","0.1215","0.1423","","","","","","1.06","","","","has coordinates,has disorder","247599","2020-10-21","18:00:00",""
"7125650","11.0207","0.0005","15.2513","0.0008","27.7168","0.0015","90","","99.255","0.002","90","","4598","0.4","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H55.26 B Cl4 F4 N5 O1.63 Zn -","- C43 H54 B Cl4 F4 N5 O1.63 Zn -","- C172 H216 B4 Cl16 F16 N20 O6.52 Zn4 -","4","1","","Bousfiha, Asmae; Dimé, Abdou K D; Mankou-Makaya, Amelle; Echaubard, Julie; Berthelot, Mathieu; Cattey, Hélène; Romieu, Anthony; Roger, Julien; Devillers, Charles H.","Regioselective C-H amination of free base porphyrins via electrogenerated pyridinium-porphyrins and stabilization of easily oxidized amino-porphyrins by protonation.","Chemical communications (Cambridge, England)","2020","56","6","884","887","10.1039/c9cc07351e","","x-ray","0.71073","MoKα","","0.0894","0.0765","","","0.2048","0.2184","","","","","","1.035","","","","has coordinates,has disorder","247599","2020-10-21","18:00:00",""
"7125651","7.374","0.0003","6.8144","0.0003","13.6077","0.0005","90","","104.973","0.004","90","","660.56","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- I O7 P Pb2 -","- I O7 P Pb2 -","- I4 O28 P4 Pb8 -","4","1","","Zhang, Xiao-Han; Yang, Bing-Ping; Chen, Jin; Hu, Chun-Li; Fang, Zhi; Wang, Zujian; Mao, Jiang-Gao","A new iodate-phosphate Pb<sub>2</sub>(IO<sub>3</sub>)(PO<sub>4</sub>) achieving great improvement in birefringence activated by (IO<sub>3</sub>)<sup>-</sup> groups.","Chemical communications (Cambridge, England)","2020","56","4","635","638","10.1039/c9cc08739g","","","0.71073","MoKα","","0.0557","0.0491","","","0.1146","0.1213","","","","","","1.027","","","","has coordinates","247591","2020-10-21","18:00:00",""
"7125652","23.3486","0.0004","24.9671","0.0005","25.2132","0.0005","63.089","0.001","83.896","0.001","71.942","0.001","12450.7","0.4","100","","100","3","","","","","","","","6","P -1","-P 1","2","","","","- C192 H312 O21 P12 Ru6 S3 -","- C192 H312 O21 P12 Ru6 S3 -","- C384 H624 O42 P24 Ru12 S6 -","2","1","","Fink, Daniel; Orth, Nicole; Linseis, Michael; Ivanović-Burmazović, Ivana; Winter, Rainer F.","Ring size matters: supramolecular isomerism in self-assembled redox-active tetra- and hexaruthenium macrocycles.","Chemical communications (Cambridge, England)","2020","56","7","1062","1065","10.1039/c9cc09307a","","x-ray","0.71073","MoKα","","0.1399","0.0848","","","0.2212","0.2541","","","","","","1.05","","","","has coordinates","247603","2020-10-21","18:00:00",""
"7125653","11.9389","0.0009","17.383","0.0015","18.623","0.0015","102.732","0.006","98.198","0.006","101.465","0.006","3623.7","0.5","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C134 H214 O14 P8 Ru4 S2 -","- C134 H214 O14 P8 Ru4 S2 -","- C134 H214 O14 P8 Ru4 S2 -","1","0.5","","Fink, Daniel; Orth, Nicole; Linseis, Michael; Ivanović-Burmazović, Ivana; Winter, Rainer F.","Ring size matters: supramolecular isomerism in self-assembled redox-active tetra- and hexaruthenium macrocycles.","Chemical communications (Cambridge, England)","2020","56","7","1062","1065","10.1039/c9cc09307a","","","0.71073","MoKα","","0.1321","0.0595","","","0.0787","0.0926","","","","","","0.866","","","","has coordinates","247603","2020-10-21","18:00:00",""
"7125654","15.7124","0.0006","35.8329","0.0017","16.5563","0.0007","90","","90.796","0.004","90","","9320.6","0.7","120.01","0.1","120.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H128 F6 N O12 P -","- C92 H128 F6 N O12 P -","- C368 H512 F24 N4 O48 P4 -","4","1","","Lu, Song-Bo; Chai, Hongxin; Ward, Jas S.; Quan, Mao; Zhang, Jin; Rissanen, Kari; Luo, Ray; Yang, Liu-Pan; Jiang, Wei","A 2,3-dialkoxynaphthalene-based naphthocage.","Chemical communications (Cambridge, England)","2020","56","6","888","891","10.1039/c9cc09585c","","x-ray","1.54184","CuKα","","0.2178","0.176","","","0.4702","0.4931","","","","","","1.673","","","","has coordinates,has disorder","247600","2020-10-21","18:00:00",""
"7125655","19.63","0.002","15.653","0.002","32.561","0.004","90","","91.963","0.004","90","","9999","2","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Gross191b (Pinky)","","","- C207 H58 Cl6 F80 N20 O16 Re4 -","- C207 H58 Cl6 F80 N20 O16 Re4 -","- C414 H116 Cl12 F160 N40 O32 Re8 -","2","0.5","","Yadav, Pinky; Fridman, Natalia; Mizrahi, Amir; Gross, Zeev","Rhenium(i) sapphyrins: remarkable difference between the C<sub>6</sub>F<sub>5</sub> and CF<sub>3</sub>-substituted derivatives.","Chemical communications (Cambridge, England)","2020","56","6","980","983","10.1039/c9cc08877f","","","0.71073","MoKα","","0.2072","0.0774","","","0.1478","0.1836","","","","","","0.925","","","","has coordinates,has disorder","247597","2020-10-21","18:00:00",""
"7125656","11.9191","0.001","13.1221","0.0011","19.0424","0.0017","90","","101.594","0.002","90","","2917.5","0.4","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Gross254b (Pinky)","","","- C31 H12 F12 N5 O3 Re -","- C31 H12 F12 N5 O3 Re -","- C124 H48 F48 N20 O12 Re4 -","4","1","","Yadav, Pinky; Fridman, Natalia; Mizrahi, Amir; Gross, Zeev","Rhenium(i) sapphyrins: remarkable difference between the C<sub>6</sub>F<sub>5</sub> and CF<sub>3</sub>-substituted derivatives.","Chemical communications (Cambridge, England)","2020","56","6","980","983","10.1039/c9cc08877f","","","0.71073","MoKα","","0.0397","0.0321","","","0.0745","0.0775","","","","","","0.985","","","","has coordinates","247597","2020-10-21","18:00:00",""
"7125657","12.375","0.0004","13.5901","0.0005","16.7251","0.0007","103.174","0.003","110.846","0.003","94.834","0.003","2516.86","0.18","298.15","","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- K10 Mo18 O94 P2 Ti2 -","- K10 Mo18 O94 P2 Ti2 -","- K10 Mo18 O94 P2 Ti2 -","1","0.5","","Xu, Ming; Wang, Ting; Li, Fengyan; Xu, Wenjuan; Zheng, Yue; Xu, Lin","Water-soluble titanium-polyoxomolybdate with external μ<sub>3</sub> bridging oxygen coordination on a lacunary Keggin structure.","Chemical communications (Cambridge, England)","2020","56","7","1097","1100","10.1039/c9cc07767g","","","0.71073","MoKα","","0.0871","0.0659","","","0.2011","0.226","","","","","","1.055","","","","has coordinates","247609","2020-10-21","18:00:00",""
"7125658","18.251","0.003","9.2828","0.0016","10.1645","0.0017","90","","90","","90","","1722.1","0.5","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H14 Na Ni O19 Ru2 -","- C4 H8 Na Ni O19 Ru2 -","- C16 H32 Na4 Ni4 O76 Ru8 -","4","0.5","","Li, Jing-Yu; Tian, Yu-Chen; Feng, Li-Na; Zhou, Zi-Qin; Wang, Lin-Lin; Yang, Jian-Hui; Liu, Bin","Enhancing magnetic hardness by sonication assisted synthesis of heterometallic carbonato spin-glass Na[Ni(H<sub>2</sub>O)<sub>4</sub>Ru<sub>2</sub>(CO<sub>3</sub>)<sub>4</sub>]·3H<sub>2</sub>O.","Chemical communications (Cambridge, England)","2020","56","9","1369","1372","10.1039/c9cc07876b","","","0.71073","MoKα","","0.053","0.0368","","","0.0991","0.108","","","","","","1.059","","","","has coordinates","247611","2020-10-21","18:00:00",""
"7125659","22.6155","0.0005","22.6155","0.0005","13.8933","0.0006","90","","90","","90","","7105.9","0.4","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H14 F N O2 -","- C24 H14 F N O2 -","- C384 H224 F16 N16 O32 -","16","1","","Yang, Wan-Wan; Chen, Lu-Lu; Chen, Pei; Ye, Ya-Fang; Wang, Yan-Bo; Zhang, Xiao","Solvent-controlled divergent annulation of ynones and (iso)quinoline N-oxides: of 3-((iso)quinolin-1-yl)-4H-chromen-4-ones and 13H-isoquinolino[2,1-a]quinolin-13-ones.","Chemical communications (Cambridge, England)","2020","56","8","1183","1186","10.1039/c9cc08713c","","","0.71073","MoKα","","0.134","0.0556","","","0.1045","0.1368","","","","","","1.021","","","","has coordinates","247584","2020-10-21","18:00:00",""
"7125660","8.1531","0.0002","11.9242","0.0003","12.194","0.0003","103.108","0.001","101.744","0.001","104.188","0.001","1076.41","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H15 Cl3 F N O2 -","- C25 H15 Cl3 F N O2 -","- C50 H30 Cl6 F2 N2 O4 -","2","1","","Yang, Wan-Wan; Chen, Lu-Lu; Chen, Pei; Ye, Ya-Fang; Wang, Yan-Bo; Zhang, Xiao","Solvent-controlled divergent annulation of ynones and (iso)quinoline N-oxides: of 3-((iso)quinolin-1-yl)-4H-chromen-4-ones and 13H-isoquinolino[2,1-a]quinolin-13-ones.","Chemical communications (Cambridge, England)","2020","56","8","1183","1186","10.1039/c9cc08713c","","","0.71073","MoKα","","0.0606","0.0444","","","0.0997","0.1109","","","","","","1.042","","","","has coordinates","247584","2020-10-21","18:00:00",""
"7125661","7.411","0.002","12.752","0.004","21.926","0.006","77.759","0.008","88.648","0.009","85.507","0.008","2018.7","1","298","2","298","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Br N O2 -","- C25 H18 Br N O2 -","- C100 H72 Br4 N4 O8 -","4","2","","Yang, Wan-Wan; Chen, Lu-Lu; Chen, Pei; Ye, Ya-Fang; Wang, Yan-Bo; Zhang, Xiao","Solvent-controlled divergent annulation of ynones and (iso)quinoline N-oxides: of 3-((iso)quinolin-1-yl)-4H-chromen-4-ones and 13H-isoquinolino[2,1-a]quinolin-13-ones.","Chemical communications (Cambridge, England)","2020","56","8","1183","1186","10.1039/c9cc08713c","","","0.71073","MoKα","","0.1752","0.0627","","","0.148","0.1901","","","","","","1.022","","","","has coordinates","247584","2020-10-21","18:00:00",""
"7125662","8.2804","0.0004","8.1597","0.0003","23.4123","0.0009","90","","90.403","0.001","90","","1581.83","0.11","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Yi, Xiangyan; Feng, Jiajun; Huang, Fei; Baell, Jonathan Bayldon","Metal-free C-C, C-O, C-S and C-N bond formation enabled by SBA-15 supported TFMSA.","Chemical communications (Cambridge, England)","2020","56","8","1243","1246","10.1039/c9cc08389h","","","0.71073","MoKα","","0.0696","0.058","","","0.1491","0.1606","","","","","","1.054","","","","has coordinates,has disorder","247583","2020-10-21","18:00:00",""
"7125663","10.7065","0.0005","12.0739","0.0005","17.4608","0.0008","78.288","0.001","83.301","0.001","70.195","0.001","2076.61","0.16","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H22 O4 -","- C25 H22 O4 -","- C100 H88 O16 -","4","2","","Yi, Xiangyan; Feng, Jiajun; Huang, Fei; Baell, Jonathan Bayldon","Metal-free C-C, C-O, C-S and C-N bond formation enabled by SBA-15 supported TFMSA.","Chemical communications (Cambridge, England)","2020","56","8","1243","1246","10.1039/c9cc08389h","","","0.71073","MoKα","","0.063","0.0485","","","0.113","0.1239","","","","","","1.022","","","","has coordinates","247583","2020-10-21","18:00:00",""
"7125664","24.4967","0.0008","14.9469","0.0005","32.9263","0.0009","90","","95.346","0.001","90","","12003.5","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H76 K2 N6 O14 Te3 -","- C50 H76 K2 N6 O14 Te3 -","- C400 H608 K16 N48 O112 Te24 -","8","1","","Puskarevsky, Nikolay A.; Smolentsev, Anton I.; Dmitriev, Alexey A.; Vargas-Baca, Ignacio; Gritsan, Nina P.; Beckmann, Jens; Zibarev, Andrey V.","Bis(2,1,3-benzotelluradiazolidyl)2,1,3-benzotelluradiazole: a pair of radical anions coupled by TeN chalcogen bonding.","Chemical communications (Cambridge, England)","2020","56","7","1113","1116","10.1039/c9cc08110k","","","0.71073","MoKα","","0.0601","0.0365","","","0.067","0.0718","","","","","","1.019","","","","has coordinates","247610","2020-10-21","18:00:00",""
"7125665","9.24","0.0018","12.733","0.003","22.312","0.005","90","","96.38","0.007","90","","2608.8","1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H25 N3 O4 S -","- C33 H25 N3 O4 S -","- C132 H100 N12 O16 S4 -","4","1","","Kahar, Nilesh; Jadhav, Pankaj; Reddy, R. V. Ramana; Dawande, Sudam","A rhodium(ii) catalysed domino synthesis of azepino fused diindoles from isatin tethered N-sulfonyl-1,2,3-triazoles and indoles.","Chemical communications (Cambridge, England)","2020","56","8","1207","1210","10.1039/c9cc08377d","","x-ray","0.71073","MoKα","","0.1226","0.0605","","","0.0933","0.1091","","","","","","1.075","","","","has coordinates","247579","2020-10-21","18:00:00",""
"7125666","10.8543","0.0011","11.773","0.0011","11.9282","0.001","106.799","0.004","100.94","0.004","116.237","0.004","1216.1","0.2","282","2","282","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N3 O4 S -","- C29 H23 N3 O4 S -","- C58 H46 N6 O8 S2 -","2","1","","Kahar, Nilesh; Jadhav, Pankaj; Reddy, R. V. Ramana; Dawande, Sudam","A rhodium(ii) catalysed domino synthesis of azepino fused diindoles from isatin tethered N-sulfonyl-1,2,3-triazoles and indoles.","Chemical communications (Cambridge, England)","2020","56","8","1207","1210","10.1039/c9cc08377d","","","0.71073","MoKα","","0.1673","0.0725","","","0.1299","0.1617","","","","","","1.016","","","","has coordinates","247579","2020-10-21","18:00:00",""
"7125667","12.8892","0.0004","14.4794","0.0004","21.3927","0.0006","100.456","0.002","103.983","0.001","94.972","0.001","3774.03","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H86 N2 O4 -","- C96 H86 N2 O4 -","- C192 H172 N4 O8 -","2","1","","Phukon, Jyotshna; Gogoi, Sanjib","Palladium(ii)-catalyzed vinylic geminal double C-H activation and alkyne annulation reaction: synthesis of pentafulvenes.","Chemical communications (Cambridge, England)","2020","56","7","1133","1136","10.1039/c9cc09564k","","","0.71073","MoKα","","0.1256","0.0686","","","0.1869","0.2257","","","","","","1.048","","","","has coordinates","247606","2020-10-21","18:00:00",""
"7125668","13.0085","0.0006","24.5621","0.001","16.7777","0.0007","90","","92.839","0.002","90","","5354.2","0.4","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C85.01 H62.56 Cl0.94 N6 O24.27 S0.27 -","- C85.007 H62.55 Cl0.942 N6 O24.268 S0.268 -","- C170.014 H125.1 Cl1.884 N12 O48.536 S0.536 -","2","0.5","","Wang, Weikun; Finnegan, Tyler J.; Lei, Zhiquan; Zhu, Xingrong; Moore, Curtis E.; Shi, Kejia; Badjić, Jovica D","Tuning the allosteric sequestration of anticancer drugs for developing cooperative nano-antidotes.","Chemical communications (Cambridge, England)","2020","56","8","1271","1274","10.1039/c9cc09373g","","x-ray","0.71073","MoKα","","0.1042","0.0879","","","0.2481","0.2844","","","","","","1.09","","","","has coordinates,has disorder","247578","2020-10-21","18:00:00",""
"7125669","35.431","0.011","5.4941","0.0016","20.15","0.008","90","","108.517","0.008","90","","3719","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H42 Na4 O22 S8 -","- C18 H42 Na4 O22 S8 -","- C72 H168 Na16 O88 S32 -","4","0.5","","Gerken, James B.; Stamoulis, Alexios; Suh, Sung-Eun; Fischer, Nicholas D.; Kim, Yeon Jung; Guzei, Ilia A.; Stahl, Shannon S.","Efficient electrochemical synthesis of robust, densely functionalized water soluble quinones.","Chemical communications (Cambridge, England)","2020","56","8","1199","1202","10.1039/c9cc08878d","","x-ray","0.71073","MoKα","","0.0275","0.0237","","","0.0599","0.0619","","","","","","1.06","","","","has coordinates","247580","2020-10-21","18:00:00",""
"7125670","19.151","0.005","5.113","0.0016","29.21","0.007","90","","96.888","0.013","90","","2839.6","1.3","100","2","100.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Na4 O17 S8 -","- C14 H22 Na4 O17 S8 -","- C56 H88 Na16 O68 S32 -","4","0.5","","Gerken, James B.; Stamoulis, Alexios; Suh, Sung-Eun; Fischer, Nicholas D.; Kim, Yeon Jung; Guzei, Ilia A.; Stahl, Shannon S.","Efficient electrochemical synthesis of robust, densely functionalized water soluble quinones.","Chemical communications (Cambridge, England)","2020","56","8","1199","1202","10.1039/c9cc08878d","","x-ray","0.71073","MoKα","K-L~3~","0.0344","0.0289","","","0.0723","0.0746","","","","","","1.076","","","","has coordinates","247580","2020-10-21","18:00:00",""
"7125671","14.8474","0.0005","30.043","0.0015","26.3798","0.0006","90","","90","","90","","11767","0.8","173","0.1","173","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C28 H23 Br I N O3 S -","- C28 H23 Br I N O3 S -","- C448 H368 Br16 I16 N16 O48 S16 -","16","2","","Qiu, Yi-Feng; Niu, Yue-Jie; Song, Xian-Rong; Wei, Xi; Chen, Hui; Li, Shun-Xi; Wang, Xi-Cun; Huo, Congde; Quan, Zheng-Jun; Liang, Yong-Min","Iodine promoted cascade cycloisomerization of 1-en-6,11-diynes.","Chemical communications (Cambridge, England)","2020","56","9","1421","1424","10.1039/c9cc08286g","","","0.71073","MoKα","","0.1245","0.0609","","","0.0829","0.1049","","","","","","0.978","","","","has coordinates","247618","2020-10-21","18:00:00",""
"7125672","25.67","0.002","10.522","0.0007","9.8072","0.0012","90","","90","","90","","2648.9","0.4","292.86","0.1","292.86","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H23 I N2 O3 S -","- C29 H23 I N2 O3 S -","- C116 H92 I4 N8 O12 S4 -","4","1","","Qiu, Yi-Feng; Niu, Yue-Jie; Song, Xian-Rong; Wei, Xi; Chen, Hui; Li, Shun-Xi; Wang, Xi-Cun; Huo, Congde; Quan, Zheng-Jun; Liang, Yong-Min","Iodine promoted cascade cycloisomerization of 1-en-6,11-diynes.","Chemical communications (Cambridge, England)","2020","56","9","1421","1424","10.1039/c9cc08286g","","x-ray","0.71073","MoKα","","0.0755","0.0515","","","0.0938","0.1061","","","","","","1.067","","","","has coordinates","247618","2020-10-21","18:00:00",""
"7125673","9.549","0.002","21.299","0.004","9.583","0.002","90","","111.2","0.03","90","","1817.1","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N3 -","- C23 H15 N3 -","- C92 H60 N12 -","4","1","","Biswas, Aniruddha; Bera, Satabdi; Poddar, Puja; Dhara, Dibakar; Samanta, Rajarshi","Rh(iii)-Catalyzed tandem indole C4-arylamination/annulation with anthranils: access to indoloquinolines and their application in photophysical studies.","Chemical communications (Cambridge, England)","2020","56","9","1440","1443","10.1039/c9cc08372c","","","0.71073","MoKα","","0.0897","0.0495","","","0.1274","0.1548","","","","","","1.031","","","","has coordinates","247616","2020-10-21","18:00:00",""
"7125674","35.439","0.004","35.468","0.004","7.9392","0.0008","90","","90","","90","","9979.2","1.9","110","2","110","2","","","","","","","","7","P b a 2","P 2 -2ab","32","","","","- C56 H41 B F20 N O P -","- C56 H41 B F20 N O P -","- C448 H328 B8 F160 N8 O8 P8 -","8","2","","Livshits-Kritsman, Yulia; Tumanskii, Boris; Ménard, Gabriel; Dobrovetsky, Roman","Isolable cyclic (alkyl)(amino)carbene-phosphonyl radical adducts.","Chemical communications (Cambridge, England)","2020","56","9","1341","1344","10.1039/c9cc09244g","","","0.71073","MoKα","","0.0649","0.0466","","","0.0911","0.0982","","","","","","1.019","","","","has coordinates","247617","2020-10-21","18:00:00",""
"7125675","9.5438","0.0003","9.7293","0.0003","15.436","0.0005","90.316","0.001","93.438","0.001","110.986","0.001","1335.26","0.07","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H45 N O3 P -","- C26 H45 N O3 P -","- C52 H90 N2 O6 P2 -","2","1","","Livshits-Kritsman, Yulia; Tumanskii, Boris; Ménard, Gabriel; Dobrovetsky, Roman","Isolable cyclic (alkyl)(amino)carbene-phosphonyl radical adducts.","Chemical communications (Cambridge, England)","2020","56","9","1341","1344","10.1039/c9cc09244g","","","0.71073","MoKα","","0.0468","0.0385","","","0.0952","0.1008","","","","","","1.033","","","","has coordinates","247617","2020-10-21","18:00:00",""
"7125676","10.5072","0.0003","14.0611","0.0003","18.7738","0.0005","90","","103.585","0.001","90","","2696.09","0.12","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H41 N O P -","- C32 H41 N O P -","- C128 H164 N4 O4 P4 -","4","1","","Livshits-Kritsman, Yulia; Tumanskii, Boris; Ménard, Gabriel; Dobrovetsky, Roman","Isolable cyclic (alkyl)(amino)carbene-phosphonyl radical adducts.","Chemical communications (Cambridge, England)","2020","56","9","1341","1344","10.1039/c9cc09244g","","","0.71073","MoKα","","0.0539","0.0415","","","0.1056","0.1129","","","","","","1.036","","","","has coordinates","247617","2020-10-21","18:00:00",""
"7125677","18.3588","0.0005","15.6255","0.0003","17.7751","0.0005","90","","95.085","0.001","90","","5079","0.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H82 N2 O6 P2 -","- C52 H82 N2 O6 P2 -","- C208 H328 N8 O24 P8 -","4","1","","Livshits-Kritsman, Yulia; Tumanskii, Boris; Ménard, Gabriel; Dobrovetsky, Roman","Isolable cyclic (alkyl)(amino)carbene-phosphonyl radical adducts.","Chemical communications (Cambridge, England)","2020","56","9","1341","1344","10.1039/c9cc09244g","","","0.71073","MoKα","","0.078","0.0457","","","0.0999","0.1133","","","","","","1.009","","","","has coordinates","247617","2020-10-21","18:00:00",""
"7125678","12.1107","0.0002","12.1107","0.0002","52.4973","0.0014","90","","90","","90","","7699.7","0.3","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C21 H20 O7 -","- C21 H20 O7 -","- C336 H320 O112 -","16","1","","Peng, Haiyun; Wan, Yinbo; Zhang, Yu; Deng, Guisheng","Synthesis of 2-alkenylfurans via a Ag(i)-catalyzed tandem cyclization/cross-coupling reaction of enynones with iodonium ylides.","Chemical communications (Cambridge, England)","2020","56","9","1417","1420","10.1039/c9cc08561k","","x-ray","1.54184","CuKα","","0.045","0.0431","","","0.1102","0.1122","","","","","","1.069","","","","has coordinates","247615","2020-10-21","18:00:00",""
"7125679","9.7605","0.0002","10.6398","0.0003","17.7151","0.0004","94.6517","0.0018","98.1677","0.0018","90.4055","0.0018","1814.73","0.08","120","1","120","1","","","","","","","","6","P 1","P 1","1","","","","- C38 H46 Mg N3 O3.5 Si -","- C38 H46 Mg N3 O3.5 Si -","- C76 H92 Mg2 N6 O7 Si2 -","2","2","","Vasilenko, Vladislav; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.","Borohydride intermediates pave the way for magnesium-catalysed enantioselective ketone reduction.","Chemical communications (Cambridge, England)","2020","56","8","1203","1206","10.1039/c9cc09111d","","x-ray","1.54184","CuKα","","0.0453","0.0395","","","0.0982","0.1009","","","","","","1.013","","","","has coordinates,has disorder","247582","2020-10-21","18:00:00",""
"7125680","10.60635","0.00016","16.6805","0.0003","19.3703","0.0002","90","","90","","90","","3426.98","0.09","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 B Mg N3 O5 -","- C38 H44 B Mg N3 O5 -","- C152 H176 B4 Mg4 N12 O20 -","4","1","","Vasilenko, Vladislav; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.","Borohydride intermediates pave the way for magnesium-catalysed enantioselective ketone reduction.","Chemical communications (Cambridge, England)","2020","56","8","1203","1206","10.1039/c9cc09111d","","x-ray","0.71073","MoKα","","0.067","0.0496","","","0.1127","0.1207","","","","","","1.025","","","","has coordinates,has disorder","247582","2020-10-21","18:00:00",""
"7125681","9.5675","0.0004","9.7347","0.0004","11.497","0.0003","65.663","0.003","88.065","0.003","84.019","0.003","970.28","0.07","120","1","120","1","","","","","","","","6","P 1","P 1","1","","","","- C44 H46 F Mg N3 O5 -","- C44 H46 F Mg N3 O5 -","- C44 H46 F Mg N3 O5 -","1","1","","Vasilenko, Vladislav; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.","Borohydride intermediates pave the way for magnesium-catalysed enantioselective ketone reduction.","Chemical communications (Cambridge, England)","2020","56","8","1203","1206","10.1039/c9cc09111d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0271","0.0256","","","0.0618","0.0631","","","","","","1.035","","","","has coordinates,has disorder","247582","2020-10-21","18:00:00",""
"7125682","9.9833","0.0002","11.7354","0.0002","34.8372","0.0007","90","","97.4542","0.0019","90","","4046.96","0.14","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 O2 -","- C27 H24 O2 -","- C216 H192 O16 -","8","2","","Shoji, Taku; Sugiyama, Shuhei; Kobayashi, Yoshiaki; Yamazaki, Akari; Ariga, Yukino; Katoh, Ryuzi; Wakui, Hiroki; Yasunami, Masafumi; Ito, Shunji","Direct synthesis of 2-arylazulenes by [8+2] cycloaddition of 2H-cyclohepta[b]furan-2-ones with silyl enol ethers.","Chemical communications (Cambridge, England)","2020","56","10","1485","1488","10.1039/c9cc09376a","","","0.71073","MoKα","","0.065","0.048","","","0.1054","0.1133","","","","","","1.025","","","","has coordinates","248798","2020-10-21","18:00:00",""
"7125683","10.6375","0.0005","16.3123","0.0007","12.1927","0.0006","90","","102.832","0.005","90","","2062.86","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N S -","- C13 H9 N S -","- C104 H72 N8 S8 -","8","2","","Shoji, Taku; Sugiyama, Shuhei; Kobayashi, Yoshiaki; Yamazaki, Akari; Ariga, Yukino; Katoh, Ryuzi; Wakui, Hiroki; Yasunami, Masafumi; Ito, Shunji","Direct synthesis of 2-arylazulenes by [8+2] cycloaddition of 2H-cyclohepta[b]furan-2-ones with silyl enol ethers.","Chemical communications (Cambridge, England)","2020","56","10","1485","1488","10.1039/c9cc09376a","","","0.71073","MoKα","","0.0855","0.055","","","0.1036","0.1155","","","","","","1.035","","","","has coordinates","248798","2020-10-21","18:00:00",""
"7125684","8.9324","0.0005","5.7383","0.0003","21.1175","0.0013","90","","98.605","0.006","90","","1070.23","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N -","- C15 H13 N -","- C60 H52 N4 -","4","1","","Shoji, Taku; Sugiyama, Shuhei; Kobayashi, Yoshiaki; Yamazaki, Akari; Ariga, Yukino; Katoh, Ryuzi; Wakui, Hiroki; Yasunami, Masafumi; Ito, Shunji","Direct synthesis of 2-arylazulenes by [8+2] cycloaddition of 2H-cyclohepta[b]furan-2-ones with silyl enol ethers.","Chemical communications (Cambridge, England)","2020","56","10","1485","1488","10.1039/c9cc09376a","","","0.71073","MoKα","","0.1026","0.0694","","","0.1528","0.1694","","","","","","1.033","","","","has coordinates","248798","2020-10-21","18:00:00",""
"7125685","12.8804","0.0004","9.8767","0.0003","13.8827","0.0005","90","","101.424","0.003","90","","1731.11","0.1","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C88 H88 O8 -","4","1","","Shoji, Taku; Sugiyama, Shuhei; Kobayashi, Yoshiaki; Yamazaki, Akari; Ariga, Yukino; Katoh, Ryuzi; Wakui, Hiroki; Yasunami, Masafumi; Ito, Shunji","Direct synthesis of 2-arylazulenes by [8+2] cycloaddition of 2H-cyclohepta[b]furan-2-ones with silyl enol ethers.","Chemical communications (Cambridge, England)","2020","56","10","1485","1488","10.1039/c9cc09376a","","","0.71073","MoKα","","0.0371","0.0348","","","0.0812","0.0826","","","","","","1.055","","","","has coordinates","248798","2020-10-21","18:00:00",""
"7125686","28.003","0.003","38.235","0.004","26.324","0.003","90","","99.404","0.002","90","","27806","5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C152 H254 As16 N16 Na6 O72 Sn14 -","- C152 H190 As16 N16 Na6 O60 Sn14 -","- C608 H760 As64 N64 Na24 O240 Sn56 -","4","0.5","","Zhu, Yu; Zhang, Jian; Zhang, Lei","A core-shell type alkyl-Sn-oxo cluster of {Sn<sub>14</sub>As<sub>16</sub>} bridged by 4-aminophenylarsonate ligands and incorporated with a {Na<sub>6</sub>} cluster.","Chemical communications (Cambridge, England)","2020","56","9","1433","1435","10.1039/c9cc08293j","","","0.71073","MoKα","","0.0615","0.0535","","","0.1377","0.1433","","","","","","1.027","","","","has coordinates,has disorder","247614","2020-10-21","18:00:00",""
"7125687","8.3732","0.0005","13.5112","0.0007","5.8925","0.0003","90","","90","","90","","666.63","0.06","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H5 N O2 Se -","- C6 H5 N O2 Se -","- C24 H20 N4 O8 Se4 -","4","1","","He, Shichao; Allemond, Laynee L.; Dunning, Samuel G.; Reynolds, Joseph E.; Lynch, Vincent M.; Humphrey, Simon M.","In situ formation and solid-state oxidation of a triselenane NSeN-pincer MOF.","Chemical communications (Cambridge, England)","2020","56","8","1286","1289","10.1039/c9cc07851g","","","1.54184","CuKα","","0.0329","0.0325","","","0.0877","0.088","","","","","","1.016","","","","has coordinates","247581","2020-10-21","18:00:00",""
"7125688","17.2294","0.0001","17.2294","0.0001","14.773","0.0002","90","","90","","90","","4385.4","0.07","100","2","100","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- C12 H6 N2 Ni O5 Se3 -","- C12 H6 N2 Ni O5 Se3 -","- C96 H48 N16 Ni8 O40 Se24 -","8","0.5","","He, Shichao; Allemond, Laynee L.; Dunning, Samuel G.; Reynolds, Joseph E.; Lynch, Vincent M.; Humphrey, Simon M.","In situ formation and solid-state oxidation of a triselenane NSeN-pincer MOF.","Chemical communications (Cambridge, England)","2020","56","8","1286","1289","10.1039/c9cc07851g","","","1.54184","CuKα","","0.0632","0.058","","","0.1583","0.1638","","","","","","1.041","","","","has coordinates,has disorder","247581","2020-10-21","18:00:00",""
"7125689","6.7387","0.0008","7.6141","0.0011","9.7024","0.0011","104.872","0.012","91.645","0.01","109.701","0.012","449.33","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 N2 Ni O12 Se2 -","- C12 H16 N2 Ni O12 Se2 -","- C12 H16 N2 Ni O12 Se2 -","1","0.5","","He, Shichao; Allemond, Laynee L.; Dunning, Samuel G.; Reynolds, Joseph E.; Lynch, Vincent M.; Humphrey, Simon M.","In situ formation and solid-state oxidation of a triselenane NSeN-pincer MOF.","Chemical communications (Cambridge, England)","2020","56","8","1286","1289","10.1039/c9cc07851g","","","1.54184","CuKα","","0.1052","0.0754","","","0.1722","0.2036","","","","","","1.002","","","","has coordinates","247581","2020-10-21","18:00:00",""
"7125690","9.7656","0.0003","22.5128","0.0005","11.5704","0.0003","90","","110.736","0.003","90","","2378.98","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N3 O2 P -","- C28 H24 N3 O2 P -","- C112 H96 N12 O8 P4 -","4","1","","Mei, Ruhuai; Fang, Xinyue; He, Liang; Sun, Junmei; Zou, Liang; Ma, Wenbo; Ackermann, Lutz","Cobaltaelectro-catalyzed oxidative allene annulation by electro-removable hydrazides.","Chemical communications (Cambridge, England)","2020","56","9","1393","1396","10.1039/c9cc09076b","","","1.54184","CuKα","","0.071","0.0618","","","0.1683","0.1834","","","","","","1.016","","","","has coordinates","247619","2020-10-21","18:00:00",""
"7125691","9.6378","0.0004","11.2515","0.0005","24.9151","0.0007","87.202","0.003","83.8","0.003","78.211","0.004","2628.33","0.18","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N O -","- C16 H19.009 N O -","- C128 H152.072 N8 O8 -","8","4","","Mei, Ruhuai; Fang, Xinyue; He, Liang; Sun, Junmei; Zou, Liang; Ma, Wenbo; Ackermann, Lutz","Cobaltaelectro-catalyzed oxidative allene annulation by electro-removable hydrazides.","Chemical communications (Cambridge, England)","2020","56","9","1393","1396","10.1039/c9cc09076b","","x-ray","1.54184","CuKα","","0.0826","0.0746","","","0.2061","0.2191","","","","","","1.037","","","","has coordinates,has disorder","247619","2020-10-21","18:00:00",""
"7125692","7.25874","0.00008","6.61591","0.00006","18.72215","0.00018","90","","91.4852","0.0009","90","","898.795","0.015","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H24 N2 O5 S2 -","- C14 H24 N2 O5 S2 -","- C28 H48 N4 O10 S4 -","2","1","","Escolano, Marcos; Guerola, Marta; Torres, Javier; Gaviña, Daniel; Alzuet-Piña, Gloria; Sánchez-Rosello, María; Del Pozo, Carlos","Organocatalytic enantioselective synthesis of 2,5,5-trisubstituted piperidines bearing a quaternary stereocenter. Vinyl sulfonamide as a new amine protecting group.","Chemical communications (Cambridge, England)","2020","56","9","1425","1428","10.1039/c9cc09113k","","x-ray","1.54184","CuKα","","0.0251","0.0248","","","0.0655","0.0657","","","","","","1.059","","","","has coordinates","247613","2020-10-21","18:00:00",""
"7125693","16.3019","0.0004","56.2981","0.0012","19.6862","0.0004","90","","98.299","0.002","90","","17878.1","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C89 H125 Cl3 N8 O12 -","- C88.9995 H124.999 Cl2.9985 N8 O12 -","- C711.996 H999.996 Cl23.988 N64 O96 -","8","2","","Ye, Zecong; Wang, Jian; Kothapalli, Sudarshana Santhosh Kumar; Yang, Zhiyao; Chen, Lixi; Xu, Weitao; Cai, Yimin; Zhang, Tinghui; Xiao, Xin; Deng, Pengchi; Feng, Wen; Yuan, Lihua","Controlling the selective synthesis of [2]- and [3]rotaxanes by intermolecular steric hindrance between the macrocyclic hosts.","Chemical communications (Cambridge, England)","2020","56","7","1066","1069","10.1039/c9cc08253k","","","1.54184","CuKα","","0.1437","0.0994","","","0.2401","0.2818","","","","","","1.026","","","","has coordinates,has disorder","247607","2020-10-21","18:00:00",""
"7125694","14.0229","0.0005","16.6854","0.0007","17.42","0.0005","100.477","0.003","97.247","0.003","114.357","0.004","3558","0.3","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C137 H197 F12 N10 O20 P2 -","- C137 H178 F12 N10 O20 P2 -","- C137 H178 F12 N10 O20 P2 -","1","0.5","","Ye, Zecong; Wang, Jian; Kothapalli, Sudarshana Santhosh Kumar; Yang, Zhiyao; Chen, Lixi; Xu, Weitao; Cai, Yimin; Zhang, Tinghui; Xiao, Xin; Deng, Pengchi; Feng, Wen; Yuan, Lihua","Controlling the selective synthesis of [2]- and [3]rotaxanes by intermolecular steric hindrance between the macrocyclic hosts.","Chemical communications (Cambridge, England)","2020","56","7","1066","1069","10.1039/c9cc08253k","","x-ray","1.54184","CuKα","","0.0889","0.0745","","","0.2131","0.2308","","","","","","1.054","","","","has coordinates,has disorder","247607","2020-10-21","18:00:00",""
"7125695","19.184","0.004","16.616","0.003","23.789","0.005","90","","110.8","0.03","90","","7089","3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","DippL2Ti_k2-S(CH)3CH","","- C74 H92 N6 S Ti -","- C74 H92 N6 S Ti -","- C296 H368 N24 S4 Ti4 -","4","1","","Gómez-Torres, Alejandra; Aguilar-Calderón, J Rolando; Saucedo, Carlos; Jordan, Aldo; Metta-Magaña, Alejandro; Pinter, Balazs; Fortier, Skye","Reversible oxidative-addition and reductive-elimination of thiophene from a titanium complex and its thermally-induced hydrodesulphurization chemistry.","Chemical communications (Cambridge, England)","2020","56","10","1545","1548","10.1039/c9cc09267f","","","0.71073","MoKα","","0.0921","0.0673","","","0.1837","0.2059","","","","","","1.032","","","","has coordinates,has disorder","248800","2020-10-21","18:00:00",""
"7125696","16.426","0.0008","14.4027","0.0007","20.5958","0.0009","90","","111.107","0.002","90","","4545.6","0.4","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H58 Dy N5 O1.5 S4 -","- C39 H58 Dy N5 O1.5 S4 -","- C156 H232 Dy4 N20 O6 S16 -","4","1","","Canaj, Angelos B.; Dey, Sourav; Céspedes, Oscar; Wilson, Claire; Rajaraman, Gopalan; Murrie, Mark","There is nothing wrong with being soft: using sulfur ligands to increase axiality in a Dy(iii) single-ion magnet.","Chemical communications (Cambridge, England)","2020","56","10","1533","1536","10.1039/c9cc07292f","","","0.71073","MoKα","","0.0267","0.0231","","","0.0634","0.0665","","","","","","1.042","","","","has coordinates,has disorder","248797","2020-10-21","18:00:00",""
"7125697","10.884","0.003","16.71","0.005","22.133","0.006","76.662","0.005","86.906","0.005","86.074","0.005","3904.6","1.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 Cl6 Ga2 N6 -","- C32 H32 Cl6 Ga2 N4 -","- C128 H128 Cl24 Ga8 N16 -","4","2","","Robin, Perrine; Singh, Kuldip; Suntharalingam, Kogularamanan","Gallium(iii)-polypyridyl complexes as anti-osteosarcoma stem cell agents.","Chemical communications (Cambridge, England)","2020","56","10","1509","1512","10.1039/c9cc08962d","","","0.71073","MoKα","","0.114","0.0604","","","0.1253","0.1419","","","","","","0.782","","","","has coordinates,has disorder","248799","2020-10-21","18:00:00",""
"7125698","16.7954","0.0001","10.6132","0.0001","16.8783","0.0001","90","","119.057","0.001","90","","2629.93","0.04","100","2","100","2","","","","","","","Lindera glauca?Lindera?Lauraceae","3","P 1 21 1","P 2yb","4","Guaianelactone A","(1S,3aR,4R,7R,8aS)-4-hydroxy-1,4-dimethyl-9-methyleneoctahydro-1H-3a,7-(epoxyethano)azulen-10-one","","- C15 H22 O3 -","- C15 H22 O3 -","- C120 H176 O24 -","8","4","","Ruan, Qing-Feng; Jiang, Shi-Qin; Zheng, Xiao-Yun; Tang, Yu-Qian; Yang, Bao; Yi, Tao; Jin, Jing; Cui, Hui; Zhao, Zhongxiang","Pseudoguaianelactones A-C: three unusual sesquiterpenoids from Lindera glauca with anti-inflammatory activities by inhibiting the LPS-induced expression of iNOS and COX-2.","Chemical communications (Cambridge, England)","2020","56","10","1517","1520","10.1039/c9cc09159a","","","1.54184","CuKα","","0.0319","0.0309","","","0.0791","0.08","","","","","","1.049","","","","has coordinates","248802","2020-10-21","18:00:00",""
"7125699","9.72709","0.00004","9.72709","0.00004","28.60837","0.00018","90","","90","","90","","2706.82","0.02","100.01","0.1","100.01","0.1","","","","","","","Lindera glauca, Lindera, Lauraceae","3","P 41 21 2","P 4abw 2nw","92","Guaianelactone C","(4R,7S,7aS,10R,10aR)-10-hydroxy-7,10-dimethyl-3-methyleneoctahydro-4,10a-methanocyclopenta[b]oxonin-2(3H)-one","","- C15 H22 O3 -","- C15 H22 O3 -","- C120 H176 O24 -","8","1","","Ruan, Qing-Feng; Jiang, Shi-Qin; Zheng, Xiao-Yun; Tang, Yu-Qian; Yang, Bao; Yi, Tao; Jin, Jing; Cui, Hui; Zhao, Zhongxiang","Pseudoguaianelactones A-C: three unusual sesquiterpenoids from Lindera glauca with anti-inflammatory activities by inhibiting the LPS-induced expression of iNOS and COX-2.","Chemical communications (Cambridge, England)","2020","56","10","1517","1520","10.1039/c9cc09159a","","x-ray","1.54184","CuKα","","0.0266","0.0261","","","0.0686","0.069","","","","","","1.072","","","","has coordinates","248802","2020-10-21","18:00:00",""
"7125700","17.3922","0.0002","14.5028","0.0002","20.3353","0.0002","90","","108.868","0.001","90","","4853.67","0.1","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","1","","- C32 H79 B3 Na O8 Si4 U -","- C32 H79 B3 Na O8 Si4 U -","- C128 H316 B12 Na4 O32 Si16 U4 -","4","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Uranium(iv) cyclobutadienyl sandwich compounds: synthesis, structure and chemical bonding.","Chemical communications (Cambridge, England)","2020","56","6","944","947","10.1039/c9cc09018e","","x-ray","1.54184","CuKα","","0.0412","0.0359","","","0.091","0.096","","","","","","1.026","","","","has coordinates,has disorder","247598","2020-10-21","18:00:00",""
"7125701","15.5143","0.0005","15.8092","0.0008","16.0534","0.0005","90","","97.572","0.003","90","","3903.1","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2","","- C24 H64 B3 K O2 Si4 U -","- C24 H52 B3 K O2 Si4 U -","- C96 H208 B12 K4 O8 Si16 U4 -","4","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Uranium(iv) cyclobutadienyl sandwich compounds: synthesis, structure and chemical bonding.","Chemical communications (Cambridge, England)","2020","56","6","944","947","10.1039/c9cc09018e","","x-ray","1.54184","CuKα","","0.1552","0.0991","","","0.269","0.3009","","","","","","0.974","","","","has coordinates,has disorder","247598","2020-10-21","18:00:00",""
"7125702","13.20381","0.00014","26.1179","0.0003","20.8685","0.0002","90","","97.5838","0.0011","90","","7133.67","0.13","100.15","","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","3","","- C52 H123.7 B Na O4 Si8 U -","- C52 H123.7 B Na O4 Si8 U -","- C208 H494.8 B4 Na4 O16 Si32 U4 -","4","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Uranium(iv) cyclobutadienyl sandwich compounds: synthesis, structure and chemical bonding.","Chemical communications (Cambridge, England)","2020","56","6","944","947","10.1039/c9cc09018e","","x-ray","1.54184","CuKα","","0.0543","0.0437","","","0.1052","0.1123","","","","","","1.032","","","","has coordinates,has disorder","247598","2020-10-21","18:00:00",""
"7125703","13.7113","0.0009","9.7397","0.0005","14.7226","0.0008","90","","102.505","0.006","90","","1919.5","0.2","293.1","0.2","293.1","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Fu, Wei; Wang, Lianhui; Yang, Zi; Shen, Jiang-Shan; Tang, Fei; Zhang, Jiayi; Cui, Xiuling","Facile access to versatile aza-macrolides through iridium-catalysed cascade allyl-amination/macrolactonization.","Chemical communications (Cambridge, England)","2020","56","6","960","963","10.1039/c9cc07372h","","x-ray","0.71073","MoKα","","0.1199","0.0629","","","0.1194","0.1471","","","","","","1.026","","","","has coordinates","247601","2020-10-21","18:00:00",""
"7125704","10.163","0.0003","10.7505","0.0003","10.3964","0.0003","90","","91.94","0.003","90","","1135.23","0.06","293.1","0.2","293.1","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 F6 N2 O4 -","- C24 H20 F6 N2 O4 -","- C48 H40 F12 N4 O8 -","2","0.5","","Fu, Wei; Wang, Lianhui; Yang, Zi; Shen, Jiang-Shan; Tang, Fei; Zhang, Jiayi; Cui, Xiuling","Facile access to versatile aza-macrolides through iridium-catalysed cascade allyl-amination/macrolactonization.","Chemical communications (Cambridge, England)","2020","56","6","960","963","10.1039/c9cc07372h","","x-ray","1.54184","CuKα","","0.0596","0.0481","","","0.129","0.1455","","","","","","1.043","","","","has coordinates,has disorder","247601","2020-10-21","18:00:00",""
"7125705","16.6617","0.0014","9.8335","0.0005","12.61","0.0009","90","","105.347","0.007","90","","1992.4","0.3","293.1","0.2","293.1","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 F2 N2 O4 -","- C22 H20 F2 N2 O4 -","- C88 H80 F8 N8 O16 -","4","1","","Fu, Wei; Wang, Lianhui; Yang, Zi; Shen, Jiang-Shan; Tang, Fei; Zhang, Jiayi; Cui, Xiuling","Facile access to versatile aza-macrolides through iridium-catalysed cascade allyl-amination/macrolactonization.","Chemical communications (Cambridge, England)","2020","56","6","960","963","10.1039/c9cc07372h","","x-ray","0.71073","MoKα","","0.1145","0.0609","","","0.1262","0.1623","","","","","","1.048","","","","has coordinates,has disorder","247601","2020-10-21","18:00:00",""
"7125706","11.5668","0.0005","17.1785","0.0009","23.0513","0.001","90","","90","","90","","4580.3","0.4","293.1","0.2","293.1","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H26 N2 O6 -","- C24 H26 N2 O6 -","- C192 H208 N16 O48 -","8","1","","Fu, Wei; Wang, Lianhui; Yang, Zi; Shen, Jiang-Shan; Tang, Fei; Zhang, Jiayi; Cui, Xiuling","Facile access to versatile aza-macrolides through iridium-catalysed cascade allyl-amination/macrolactonization.","Chemical communications (Cambridge, England)","2020","56","6","960","963","10.1039/c9cc07372h","","x-ray","0.71073","MoKα","","0.1159","0.0608","","","0.1341","0.1672","","","","","","1.047","","","","has coordinates","247601","2020-10-21","18:00:00",""
"7125707","14.5996","0.001","8.1161","0.0005","16.4481","0.0014","90","","99.915","0.007","90","","1919.9","0.2","293.1","0.2","293.1","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Fu, Wei; Wang, Lianhui; Yang, Zi; Shen, Jiang-Shan; Tang, Fei; Zhang, Jiayi; Cui, Xiuling","Facile access to versatile aza-macrolides through iridium-catalysed cascade allyl-amination/macrolactonization.","Chemical communications (Cambridge, England)","2020","56","6","960","963","10.1039/c9cc07372h","","x-ray","0.71073","MoKα","","0.1374","0.0564","","","0.1107","0.1421","","","","","","0.992","","","","has coordinates,has disorder","247601","2020-10-21","18:00:00",""
"7125708","13.3531","0.0007","13.9911","0.0006","16.8717","0.0009","103.238","0.003","108.535","0.002","108.528","0.003","2635.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H82 N6 O2 U -","- C55 H82 N6 O2 U -","- C110 H164 N12 O4 U2 -","2","1","","Maria, Leonor; Bandeira, Nuno A. G.; Marçalo, Joaquim; Santos, Isabel C.; Gibson, John K.","CO<sub>2</sub> conversion to phenyl isocyanates by uranium(vi) bis(imido) complexes.","Chemical communications (Cambridge, England)","2020","56","3","431","434","10.1039/c9cc07411b","","","0.71073","MoKα","","0.0826","0.0577","","","0.1396","0.1496","","","","","","0.989","","","","has coordinates","246444","2020-10-21","18:00:00",""
"7125709","15.5464","0.0006","13.2994","0.0005","23.2853","0.0008","90","","103.112","0.001","90","","4688.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H75 N5 O3 U -","- C48 H75 N5 O3 U -","- C192 H300 N20 O12 U4 -","4","1","","Maria, Leonor; Bandeira, Nuno A. G.; Marçalo, Joaquim; Santos, Isabel C.; Gibson, John K.","CO<sub>2</sub> conversion to phenyl isocyanates by uranium(vi) bis(imido) complexes.","Chemical communications (Cambridge, England)","2020","56","3","431","434","10.1039/c9cc07411b","","","0.71073","MoKα","","0.0532","0.0338","","","0.0698","0.0739","","","","","","1.005","","","","has coordinates","246444","2020-10-21","18:00:00",""
"7125710","12.375","0.0004","13.5901","0.0005","16.7251","0.0007","103.174","0.003","110.846","0.003","94.834","0.003","2516.86","0.18","273","","273","","","","","","","","","5","P -1","-P 1","2","","","","- K6 Mo18 O88 P2 Ti2 -","- K6 Mo18 O88 P2 Ti2 -","- K6 Mo18 O88 P2 Ti2 -","1","0.5","","Xu, Ming; Wang, Ting; Li, Fengyan; Xu, Wenjuan; Zheng, Yue; Xu, Lin","Water-soluble titanium-polyoxomolybdate with external μ<sub>3</sub> bridging oxygen coordination on a lacunary Keggin structure.","Chemical communications (Cambridge, England)","2020","56","7","1097","1100","10.1039/c9cc07767g","","","0.71073","MoKα","","0.0688","0.0515","","","0.1452","0.1618","","","","","","1.04","","","","has coordinates","247609","2020-10-21","18:00:00",""
"7125711","22.357","0.003","10.054","0.0015","28.899","0.004","90","","91.602","0.008","90","","6493.3","1.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C77 H93 N3 O6 -","- C77 H93 N3 O6 -","- C308 H372 N12 O24 -","4","1","","Blanke, Meik; Balszuweit, Jan; Saccone, Marco; Wölper, Christoph; Doblas Jiménez, David; Mezger, Markus; Voskuhl, Jens; Giese, Michael","Photo-switching and -cyclisation of hydrogen bonded liquid crystals based on resveratrol.","Chemical communications (Cambridge, England)","2020","56","7","1105","1108","10.1039/c9cc07721a","","","0.71073","MoKα","","0.0849","0.0516","","","0.1231","0.1428","","","","","","1.043","","","","has coordinates","247608","2020-10-21","18:00:00",""
"7125712","9.8815","0.0013","13.0611","0.0016","19.081","0.003","80.647","0.006","83.99","0.006","79.057","0.006","2378.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H66 N2 O5 -","- C56 H66 N2 O5 -","- C112 H132 N4 O10 -","2","1","","Blanke, Meik; Balszuweit, Jan; Saccone, Marco; Wölper, Christoph; Doblas Jiménez, David; Mezger, Markus; Voskuhl, Jens; Giese, Michael","Photo-switching and -cyclisation of hydrogen bonded liquid crystals based on resveratrol.","Chemical communications (Cambridge, England)","2020","56","7","1105","1108","10.1039/c9cc07721a","","","1.54178","CuKα","","0.0693","0.0596","","","0.1339","0.1394","","","","","","1.096","","","","has coordinates","247608","2020-10-21","18:00:00",""
"7125713","9.43565","0.00016","16.9768","0.0003","19.2055","0.0003","90","","90","","90","","3076.47","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H38 O3 S -","- C37 H38 O3 S -","- C148 H152 O12 S4 -","4","1","","You, Yong; Li, Ting-Ting; Yuan, Shu-Pei; Xie, Ke-Xin; Wang, Zhen-Hua; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Yuan, Wei-Cheng","Catalytic asymmetric [4+2] cycloaddition of 1-((2-aryl)vinyl)naphthalen-2-ols with in situ generated ortho-quinone methides for the synthesis of polysubstituted chromanes.","Chemical communications (Cambridge, England)","2020","56","3","439","442","10.1039/c9cc08316b","","x-ray","1.54184","CuKα","","0.0567","0.049","","","0.1287","0.1375","","","","","","1.033","","","","has coordinates","246447","2020-10-21","18:00:00",""
"7125714","11.8441","0.0007","10.6009","0.0008","15.1947","0.0009","90","","103.393","0.006","90","","1855.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H42 Cl N O3 -","- C41 H42 Cl N O3 -","- C82 H84 Cl2 N2 O6 -","2","1","","You, Yong; Li, Ting-Ting; Yuan, Shu-Pei; Xie, Ke-Xin; Wang, Zhen-Hua; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Yuan, Wei-Cheng","Catalytic asymmetric [4+2] cycloaddition of 1-((2-aryl)vinyl)naphthalen-2-ols with in situ generated ortho-quinone methides for the synthesis of polysubstituted chromanes.","Chemical communications (Cambridge, England)","2020","56","3","439","442","10.1039/c9cc08316b","","x-ray","1.54184","CuKα","","0.0544","0.0439","","","0.1096","0.1199","","","","","","1.033","","","","has coordinates","246447","2020-10-21","18:00:00",""
"7125715","18.3781","0.0007","9.6218","0.0004","11.0075","0.0004","90","","101.862","0.002","90","","1904.9","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Amol","","- C22 H28 N2 O2 -","- C22 H28 N2 O2 -","- C88 H112 N8 O8 -","4","1","","Viveki, Amol B.; Garad, Dnyaneshwar N.; Gonnade, Rajesh G.; Mhaske, Santosh B.","para-Selective copper-catalyzed C(sp<sup>2</sup>)-H amidation/dimerization of anilides via a radical pathway.","Chemical communications (Cambridge, England)","2020","56","10","1565","1568","10.1039/c9cc09824k","","","0.71073","MoKα","","0.0715","0.0473","","","0.0965","0.1065","","","","","","1.018","","","","has coordinates","248806","2020-10-21","18:00:00",""
"7125716","12.6898","0.0009","8.3673","0.0006","19.2488","0.0012","90","","106.184","0.002","90","","1962.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O2 -","- C26 H20 N2 O2 -","- C104 H80 N8 O8 -","4","1","","Viveki, Amol B.; Garad, Dnyaneshwar N.; Gonnade, Rajesh G.; Mhaske, Santosh B.","para-Selective copper-catalyzed C(sp<sup>2</sup>)-H amidation/dimerization of anilides via a radical pathway.","Chemical communications (Cambridge, England)","2020","56","10","1565","1568","10.1039/c9cc09824k","","","0.71073","MoKα","","0.1024","0.0801","","","0.147","0.1551","","","","","","1.169","","","","has coordinates","248806","2020-10-21","18:00:00",""
"7125717","32.32","0.004","16.5482","0.0018","16.796","0.002","90","","118.803","0.002","90","","7871.8","1.6","270","2","270","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H40 B F2 N3 O S -","- C43 H40 B F2 N3 O S -","- C344 H320 B8 F16 N24 O8 S8 -","8","1","","Hou, Yuqi; Liu, Qingyun; Zhao, Jianzhang","An exceptionally long-lived triplet state of red light-absorbing compact phenothiazine-styrylBodipy electron donor/acceptor dyads: a better alternative to the heavy atom-effect?","Chemical communications (Cambridge, England)","2020","56","11","1721","1724","10.1039/c9cc09058d","","","0.71073","MoKα","","0.2304","0.1397","","","0.3812","0.4301","","","","","","1.363","","","","has coordinates","248851","2020-10-21","18:00:00",""
"7125718","8.3719","0.0008","11.6265","0.0012","21.171","0.002","91.635","0.008","97.842","0.007","102.352","0.007","1990.6","0.3","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H42 B F2 N3 O2 S -","- C45 H42 B F2 N3 O2 S -","- C90 H84 B2 F4 N6 O4 S2 -","2","1","","Hou, Yuqi; Liu, Qingyun; Zhao, Jianzhang","An exceptionally long-lived triplet state of red light-absorbing compact phenothiazine-styrylBodipy electron donor/acceptor dyads: a better alternative to the heavy atom-effect?","Chemical communications (Cambridge, England)","2020","56","11","1721","1724","10.1039/c9cc09058d","","","0.71073","MoKα","","0.1914","0.074","","","0.1771","0.2426","","","","","","0.957","","","","has coordinates","248851","2020-10-21","18:00:00",""
"7125719","14.9129","0.0005","14.9759","0.0006","15.1499","0.0005","90","","90","","90","","3383.5","0.2","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H38 Ag4 I6 N4 -","- C18 H38 Ag4 I6 N4 -","- C72 H152 Ag16 I24 N16 -","4","0.5","","Zhang, Jin; Yao, Wan-Wan; Sang, Lei; Pan, Xue-Wei; Wang, Xiao-Zu; Liu, Wen-Long; Wang, Lifeng; Ren, Xiao-Ming","Multi-step structural phase transitions with novel symmetry breaking and inverse symmetry breaking characteristics in a [Ag<sub>4</sub>I<sub>6</sub>]<sup>2-</sup> cluster hybrid crystal.","Chemical communications (Cambridge, England)","2020","56","3","462","465","10.1039/c9cc08394d","","","0.71073","MoKα","","0.064","0.0482","","","0.1109","0.1182","","","","","","1.066","","","","has coordinates","246450","2020-10-21","18:00:00",""
"7125720","15.0205","0.0008","15.0458","0.001","15.0407","0.001","90","","90.269","0.002","90","","3399.1","0.4","323","2","323.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H38 Ag4 I6 N4 -","- C18 H38 Ag4 I6 N4 -","- C72 H152 Ag16 I24 N16 -","4","1","","Zhang, Jin; Yao, Wan-Wan; Sang, Lei; Pan, Xue-Wei; Wang, Xiao-Zu; Liu, Wen-Long; Wang, Lifeng; Ren, Xiao-Ming","Multi-step structural phase transitions with novel symmetry breaking and inverse symmetry breaking characteristics in a [Ag<sub>4</sub>I<sub>6</sub>]<sup>2-</sup> cluster hybrid crystal.","Chemical communications (Cambridge, England)","2020","56","3","462","465","10.1039/c9cc08394d","","","0.71073","MoKα","","0.1774","0.1746","","","0.2956","0.2958","","","","","","1.01","","","","has coordinates","246450","2020-10-21","18:00:00",""
"7125721","15.141","0.0009","15.141","0.0009","15.141","0.0009","90","","90","","90","","3471.1","0.4","408","","408","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C18 H38 Ag4 I6 N4 -","- C17.9998 H37.9986 Ag3.9996 I5.9994 N4 -","- C71.9992 H151.994 Ag15.9984 I23.9976 N16 -","4","0.166667","","Zhang, Jin; Yao, Wan-Wan; Sang, Lei; Pan, Xue-Wei; Wang, Xiao-Zu; Liu, Wen-Long; Wang, Lifeng; Ren, Xiao-Ming","Multi-step structural phase transitions with novel symmetry breaking and inverse symmetry breaking characteristics in a [Ag<sub>4</sub>I<sub>6</sub>]<sup>2-</sup> cluster hybrid crystal.","Chemical communications (Cambridge, England)","2020","56","3","462","465","10.1039/c9cc08394d","","","0.71073","MoKα","","0.117","0.0584","","","0.128","0.1477","","","","","","1.075","","","","has coordinates,has disorder","246450","2020-10-21","18:00:00",""
"7125722","16.0864","0.001","12.7175","0.0008","7.1186","0.0005","90","","99.45","0.002","90","","1436.55","0.16","227","","227","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 Cl2 N4 O2 -","- C4 H2 Cl2 N4 O2 -","- C32 H16 Cl16 N32 O16 -","8","2","","Chen, Sitong; Liu, Yuji; Feng, Yongan; Yang, Xianjin; Zhang, Qinghua","5,6-Fused bicyclic tetrazolo-pyridazine energetic materials.","Chemical communications (Cambridge, England)","2020","56","10","1493","1496","10.1039/c9cc08782f","","","0.71073","MoKα","","0.0561","0.0418","","","0.0925","0.1002","","","","","","1.062","","","","has coordinates","248801","2020-10-21","18:00:00",""
"7125723","12.2036","0.0015","4.6757","0.0005","25.698","0.003","90","","93.484","0.007","90","","1463.6","0.3","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H5 N8 O2.5 -","- C4 H5 N8 O2.5 -","- C32 H40 N64 O20 -","8","1","","Chen, Sitong; Liu, Yuji; Feng, Yongan; Yang, Xianjin; Zhang, Qinghua","5,6-Fused bicyclic tetrazolo-pyridazine energetic materials.","Chemical communications (Cambridge, England)","2020","56","10","1493","1496","10.1039/c9cc08782f","","","0.71073","MoKα","","0.1085","0.0511","","","0.1038","0.1287","","","","","","1.023","","","","has coordinates","298703","2025-04-03","05:34:19",""
"7125724","23.411","0.003","5.0229","0.0005","15.2453","0.0019","90","","101.545","0.004","90","","1756.4","0.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 N8 O5 -","- C4 H4 N8 O5 -","- C32 H32 N64 O40 -","8","1","","Chen, Sitong; Liu, Yuji; Feng, Yongan; Yang, Xianjin; Zhang, Qinghua","5,6-Fused bicyclic tetrazolo-pyridazine energetic materials.","Chemical communications (Cambridge, England)","2020","56","10","1493","1496","10.1039/c9cc08782f","","","0.71073","MoKα","","0.104","0.0567","","","0.1167","0.1446","","","","","","1.066","","","","has coordinates","248801","2020-10-21","18:00:00",""
"7125725","11.6487","0.0005","9.887","0.0005","14.4221","0.0007","90","","106.486","0.002","90","","1592.72","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 N8 O4 -","- C4 H2 N8 O4 -","- C32 H16 N64 O32 -","8","2","","Chen, Sitong; Liu, Yuji; Feng, Yongan; Yang, Xianjin; Zhang, Qinghua","5,6-Fused bicyclic tetrazolo-pyridazine energetic materials.","Chemical communications (Cambridge, England)","2020","56","10","1493","1496","10.1039/c9cc08782f","","","0.71073","MoKα","","0.1329","0.0597","","","0.1083","0.1415","","","","","","1.052","","","","has coordinates","248801","2020-10-21","18:00:00",""
"7125726","9.2263","0.0004","15.7424","0.0007","11.8768","0.0006","90","","108.325","0.002","90","","1637.56","0.13","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Br F3 N2 O2 -","- C14 H14 Br F3 N2 O2 -","- C56 H56 Br4 F12 N8 O8 -","4","1","","Du, Mengyuan; Yu, Longhui; Du, Ting; Li, Zhaokun; Luo, Yueyang; Meng, Xiangyu; Tian, Zhengtao; Zheng, Changwu; Cao, Weiguo; Zhao, Gang","N-Protecting group tuning of the enantioselectivity in Strecker reactions of trifluoromethyl ketimines to synthesize quaternary α-trifluoromethyl amino nitriles by ion pair catalysis.","Chemical communications (Cambridge, England)","2020","56","10","1581","1584","10.1039/c9cc09151c","","","0.71073","MoKα","","0.0389","0.0291","","","0.0706","0.0753","","","","","","1.04","","","","has coordinates","248796","2020-10-21","18:00:00",""
"7125727","20.677","0.004","21.726","0.004","36.877","0.007","90","","90","","90","","16566","5","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","Spiro(TFSI)2","2,2',7,7'-Tetrakis[N,N-di(4-methoxyphenyl)amino]-9,9'-spirobifluorene bis(trifluoromethanesulfonyl)imide","","- C85 H68 F12 N6 O16 S4 -","- C85 H68 F12 N6 O16 S4 -","- C680 H544 F96 N48 O128 S32 -","8","0.25","","Zhang, Wei; Wang, Linqin; Guo, Yu; Zhang, Biaobiao; Leandri, Valentina; Xu, Bo; Li, Zhuofeng; Gardner, James M.; Sun, Licheng; Kloo, Lars","Single crystal structure and opto-electronic properties of oxidized Spiro-OMeTAD.","Chemical communications (Cambridge, England)","2020","56","10","1589","1592","10.1039/c9cc09270f","","","0.71073","MoKα","","0.0736","0.0697","","","0.2277","0.2323","","","","","","1.915","","","","has coordinates","248803","2020-10-21","18:00:00",""
"7125728","8.0898","0.0009","8.7429","0.0011","9.3861","0.0011","113.63","0.004","100.423","0.004","106.839","0.004","547.71","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H12 Cd Cl N O6 S2 -","- C4 H12 Cd Cl N O6 S2 -","- C8 H24 Cd2 Cl2 N2 O12 S4 -","2","1","","Zhang, Guiyang; Yin, Jinlin; Song, Xueling; Fei, Honghan","A moisture-stable organosulfonate-based metal-organic framework with intrinsic self-trapped white-light emission.","Chemical communications (Cambridge, England)","2020","56","9","1325","1328","10.1039/c9cc09486e","","","0.71073","MoKα","","0.0199","0.018","","","0.0468","0.048","","","","","","1.19","","","","has coordinates","247612","2020-10-21","18:00:00",""
"7125729","16.2065","0.0014","8.0264","0.0005","17.9481","0.0017","90","","116.108","0.011","90","","2096.5","0.4","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O4 -","- C24 H20 N2 O4 -","- C96 H80 N8 O16 -","4","1","","Shi, Yuesen; Xing, Huimin; Huang, Tianle; Liu, Xuexin; Chen, Jian; Guo, Xiaoyu; Li, Guo-Bo; Wu, Yong","Divergent C-H activation synthesis of chalcones, quinolones and indoles.","Chemical communications (Cambridge, England)","2020","56","10","1585","1588","10.1039/c9cc08926h","","x-ray","0.71073","MoKα","","0.106","0.0569","","","0.1205","0.1409","","","","","","1.015","","","","has coordinates","248805","2020-10-21","18:00:00",""
"7125730","8.543","0.004","14.111","0.006","14.684","0.007","90","","92.284","0.007","90","","1768.8","1.4","123","2","123.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 Cl F N2 O Rh -","- C17 H21 Cl F N2 O Rh -","- C68 H84 Cl4 F4 N8 O4 Rh4 -","4","1","","Shi, Yuesen; Xing, Huimin; Huang, Tianle; Liu, Xuexin; Chen, Jian; Guo, Xiaoyu; Li, Guo-Bo; Wu, Yong","Divergent C-H activation synthesis of chalcones, quinolones and indoles.","Chemical communications (Cambridge, England)","2020","56","10","1585","1588","10.1039/c9cc08926h","","","0.71073","MoKα","","0.0619","0.0573","","","0.1736","0.1788","","","","","","1.029","","","","has coordinates","248805","2020-10-21","18:00:00",""
"7125731","15.6909","0.0002","8.2225","0.0001","30.5829","0.0003","90","","90","","90","","3945.76","0.08","99.98","0.13","99.98","0.13","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H20 I N O5 -","- C21 H20 I N O5 -","- C168 H160 I8 N8 O40 -","8","2","","Yu, Sifan; Chen, Jinzhou; Liu, Gengxin; Lei, Jinping; Hu, Wenhao; Qiu, Huang","A gold(i)-catalysed chemoselective three-component reaction between phenols, α-diazocarbonyl compounds and allenamides.","Chemical communications (Cambridge, England)","2020","56","11","1649","1652","10.1039/c9cc09470a","","x-ray","1.54184","CuKα","","0.0455","0.0419","","","0.1049","0.1139","","","","","","1.089","","","","has coordinates","248855","2020-10-21","18:00:00",""
"7125732","10.7413","0.0012","11.0944","0.0012","13.5068","0.0014","86.34","0.001","69.593","0.001","76.912","0.001","1469.2","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","3,6-Bis(2,2-bis((trifluoromethyl)sulfonyl)ethyl)-9-ethyl-9H-carbazole","","- C22 H17 F12 N O8 S4 -","- C22 H17 F12 N O8 S4 -","- C44 H34 F24 N2 O16 S8 -","2","1","","Martín-Mejías, Irene; Aragoncillo, Cristina; Yanai, Hikaru; Hoshikawa, Shoki; Fujimoto, Yuuki; Matsumoto, Takashi; Almendros, Pedro","A catalyst-free bis(triflyl)ethylation/benzannulation reaction: rapid access to carbazole-based superacidic carbon acids from alkynols.","Chemical communications (Cambridge, England)","2020","56","12","1795","1798","10.1039/c9cc08930f","","","0.71073","MoKα","","0.0577","0.0488","","","0.1246","0.132","","","","","","0.991","","","","has coordinates,has disorder","248857","2020-10-21","18:00:00",""
"7125769","7.5867","0.0003","14.1693","0.0004","16.4025","0.0005","90","","90","","90","","1763.24","0.1","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 Cl F3 N O4 S -","- C17 H11 Cl F3 N O4 S -","- C68 H44 Cl4 F12 N4 O16 S4 -","4","1","","Zhang, Zhen-Zhen; Zhang, Yongna; Duan, Hui-Xin; Deng, Zhuo-Fei; Wang, You-Qing","Enantioselective (3+2) cycloaddition via N-heterocyclic carbene-catalyzed addition of homoenolates to cyclic N-sulfonyl trifluoromethylated ketimines: synthesis of fused N-heterocycle γ-lactams.","Chemical communications (Cambridge, England)","2020","56","10","1553","1556","10.1039/c9cc09269b","","x-ray","1.54184","CuKα","","0.0424","0.0375","","","0.0915","0.0963","","","","","","1.059","","","","has coordinates","248804","2020-10-21","18:00:00",""
"7125770","10.501","0.002","12.436","0.003","19.235","0.004","90","","90","","90","","2511.9","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H22 F3 Fe N O -","- C31 H22 F3 Fe N O -","- C124 H88 F12 Fe4 N4 O4 -","4","1","","Jia, Lixiang; Liu, Xiaobing; Zhang, An-An; Wang, Tao; Hua, Yuanzhao; Li, Heng; Liu, Lantao","Synthesis of planar chiral ferrocenes via a Pd(0)-catalyzed syn-carbopalladation/asymmetric C-H alkenylation process.","Chemical communications (Cambridge, England)","2020","56","11","1737","1740","10.1039/c9cc06529f","","","0.71073","MoKα","","0.0931","0.0478","","","0.1157","0.1346","","","","","","1.023","","","","has coordinates","248853","2020-10-21","18:00:00",""
"7125771","12.324","0.003","10.527","0.002","15.383","0.003","90","","103.1","0.03","90","","1943.8","0.7","113","2","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 Cl N O2 S -","- C23 H18 Cl N O2 S -","- C92 H72 Cl4 N4 O8 S4 -","4","1","","Li, Qiuyun; Yuan, Xin; Li, Bin; Wang, Baiquan","The regioselective annulation of alkylidenecyclopropanes by Rh(iii)-catalyzed C-H/C-C activation to access spirocyclic benzosultams.","Chemical communications (Cambridge, England)","2020","56","12","1835","1838","10.1039/c9cc09621c","","","0.71073","MoKα","","0.0867","0.056","","","0.1295","0.15","","","","","","0.907","","","","has coordinates","248861","2020-10-21","18:00:00",""
"7125772","8.1485","0.0002","9.0966","0.0005","16.9811","0.0006","103.951","0.004","91.35","0.003","100.482","0.003","1198.19","0.09","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 N O3 S2 -","- C27 H29 N O3 S2 -","- C54 H58 N2 O6 S4 -","2","1","","Li, Qiuyun; Yuan, Xin; Li, Bin; Wang, Baiquan","The regioselective annulation of alkylidenecyclopropanes by Rh(iii)-catalyzed C-H/C-C activation to access spirocyclic benzosultams.","Chemical communications (Cambridge, England)","2020","56","12","1835","1838","10.1039/c9cc09621c","","","0.71073","MoKα","","0.0413","0.0381","","","0.0985","0.1007","","","","","","0.994","","","","has coordinates","248861","2020-10-21","18:00:00",""
"7125773","14.7843","0.001","6.4537","0.0005","13.8723","0.0011","90","","108.104","0.008","90","","1258.08","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 O2 Se -","- C15 H10 O2 Se -","- C60 H40 O8 Se4 -","4","1","","Song, Zengqiang; Ding, Chaochao; Wang, Shaoli; Dai, Qian; Sheng, Yaoguang; Zheng, Zhilong; Liang, Guang","Metal-free regioselective C-H chalcogenylation of coumarins/(hetero)arenes at ambient temperature.","Chemical communications (Cambridge, England)","2020","56","12","1847","1850","10.1039/c9cc09001k","","","0.71073","MoKα","","0.122","0.0596","","","0.1141","0.1453","","","","","","1.052","","","","has coordinates","248859","2020-10-21","18:00:00",""
"7125774","9.1003","0.0005","9.9785","0.0006","12.9831","0.0006","74.611","0.005","76.063","0.004","64.264","0.005","1013.17","0.11","294.39","0.1","294.39","0.1","","","","","","","","5","P -1","-P 1","2","","1-benzyl-3-((4-bromophenyl)amino)-4-(4-methoxyphenyl)-1<i>H</i>-pyrrole-2,5-dione","","- C24 H19 Br N2 O3 -","- C24 H19 Br N2 O3 -","- C48 H38 Br2 N4 O6 -","2","1","","Lei, Jie; Song, Gui-Ting; He, Liu-Jun; Luo, Ya-Fei; Tang, Dian-Yong; Lin, Hui-Kuan; Frett, Brendan; Li, Hong-Yu; Chen, Zhong-Zhu; Xu, Zhi-Gang","One-pot construction of functionalized aziridines and maleimides via a novel pseudo-Knoevenagel cascade reaction.","Chemical communications (Cambridge, England)","2020","56","14","2194","2197","10.1039/c9cc08220d","","x-ray","1.54184","CuKα","","0.05","0.0467","","","0.1221","0.1259","","","","","","1.083","","","","has coordinates","248835","2020-10-21","18:00:00",""
"7125775","10.532","0.006","9.624","0.005","43.85","0.002","90","","90","","90","","4445","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H23 Br N2 O3 -","- C25 H23 Br N2 O3 -","- C200 H184 Br8 N16 O24 -","8","1","","Lei, Jie; Song, Gui-Ting; He, Liu-Jun; Luo, Ya-Fei; Tang, Dian-Yong; Lin, Hui-Kuan; Frett, Brendan; Li, Hong-Yu; Chen, Zhong-Zhu; Xu, Zhi-Gang","One-pot construction of functionalized aziridines and maleimides via a novel pseudo-Knoevenagel cascade reaction.","Chemical communications (Cambridge, England)","2020","56","14","2194","2197","10.1039/c9cc08220d","","","0.71073","MoKα","","0.1915","0.0759","","","0.1461","0.1631","","","","","","1.082","","","","has coordinates","248835","2020-10-21","18:00:00",""
"7125776","11.4032","0.0017","16.0552","0.0014","21.7377","0.0013","90","","90","","90","","3979.8","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Br N2 O3 -","- C24 H19 Br N2 O3 -","- C192 H152 Br8 N16 O24 -","8","2","","Lei, Jie; Song, Gui-Ting; He, Liu-Jun; Luo, Ya-Fei; Tang, Dian-Yong; Lin, Hui-Kuan; Frett, Brendan; Li, Hong-Yu; Chen, Zhong-Zhu; Xu, Zhi-Gang","One-pot construction of functionalized aziridines and maleimides via a novel pseudo-Knoevenagel cascade reaction.","Chemical communications (Cambridge, England)","2020","56","14","2194","2197","10.1039/c9cc08220d","","","0.71073","MoKα","","0.1118","0.0475","","","0.0818","0.0925","","","","","","1.015","","","","has coordinates","248835","2020-10-21","18:00:00",""
"7125777","9.2393","0.0005","13.1195","0.0007","16.0254","0.0007","74.256","0.004","75.947","0.004","74.656","0.004","1772.13","0.16","123","","123","","","","","","","","","5","P -1","-P 1","2","","NRN-142","","- C30 H56 N6 P2 Se2 -","- C30 H56 N6 P2 Se2 -","- C60 H112 N12 P4 Se4 -","2","1","","Naz, Nabila Rauf; Schnakenburg, Gregor; Mikeházi, Antal; Kelemen, Zsolt; Nyulászi, László; Boeré, René T; Streubel, Rainer","Janus bis(NHCs) tuned by heteroatom-bridge oxidation states.","Chemical communications (Cambridge, England)","2020","56","17","2646","2649","10.1039/c9cc08468a","","x-ray","0.71073","MoKα","","0.0742","0.0493","","","0.109","0.1142","","","","","","1.098","","","","has coordinates","248811","2020-10-21","18:00:00",""
"7125778","10.0162","0.0003","10.5594","0.0004","12.65","0.0004","75.8224","0.0011","80.3081","0.0011","64.359","0.001","1166.45","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","NRN-148","","- C36 H78 Cl2 N6 O6 P2 -","- C36 H78 Cl2 N6 O6 P2 -","- C36 H78 Cl2 N6 O6 P2 -","1","0.5","","Naz, Nabila Rauf; Schnakenburg, Gregor; Mikeházi, Antal; Kelemen, Zsolt; Nyulászi, László; Boeré, René T; Streubel, Rainer","Janus bis(NHCs) tuned by heteroatom-bridge oxidation states.","Chemical communications (Cambridge, England)","2020","56","17","2646","2649","10.1039/c9cc08468a","","x-ray","1.54178","CuKα","","0.0474","0.0465","","","0.1282","0.1291","","","","","","1.052","","","","has coordinates","248811","2020-10-21","18:00:00",""
"7125779","10.102","0.013","10.857","0.014","11.856","0.013","103.05","0.06","97.19","0.07","116.1","0.06","1099","3","100","","100","","","","","","","","","7","P -1","-P 1","2","","NRN-198","","- C30 H57 Au2 Cl4 N6 O2 P2 -","- C30 H57 Au2 Cl4 N6 O2 P2 -","- C30 H57 Au2 Cl4 N6 O2 P2 -","1","0.5","","Naz, Nabila Rauf; Schnakenburg, Gregor; Mikeházi, Antal; Kelemen, Zsolt; Nyulászi, László; Boeré, René T; Streubel, Rainer","Janus bis(NHCs) tuned by heteroatom-bridge oxidation states.","Chemical communications (Cambridge, England)","2020","56","17","2646","2649","10.1039/c9cc08468a","","","0.71073","MoKα","","0.1239","0.0773","","","0.1799","0.2138","","","","","","1.029","","","","has coordinates,has disorder","248811","2020-10-21","18:00:00",""
"7125780","8.688","0.0005","20.2501","0.0011","9.9593","0.0005","90","","104.166","0.002","90","","1698.89","0.16","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","NRN-202","","- C30 H56 N6 O2 P2 -","- C30 H56 N6 O2 P2 -","- C60 H112 N12 O4 P4 -","2","0.5","","Naz, Nabila Rauf; Schnakenburg, Gregor; Mikeházi, Antal; Kelemen, Zsolt; Nyulászi, László; Boeré, René T; Streubel, Rainer","Janus bis(NHCs) tuned by heteroatom-bridge oxidation states.","Chemical communications (Cambridge, England)","2020","56","17","2646","2649","10.1039/c9cc08468a","","","0.71073","MoKα","","0.0417","0.0387","","","0.0943","0.0966","","","","","","1.111","","","","has coordinates","248811","2020-10-21","18:00:00",""
"7125781","8.0943","0.0004","21.8669","0.001","17.322","0.0007","90","","95.221","0.004","90","","3053.2","0.2","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 B Cl2 N7 O4 Re W -","- C25 H29 B Cl2 N7 O4 Re W -","- C100 H116 B4 Cl8 N28 O16 Re4 W4 -","4","1","","Hill, Anthony F.; Watson, Lachlan J.","A heterobimetallic cumulenic μ-carbido complex.","Chemical communications (Cambridge, England)","2020","56","15","2356","2359","10.1039/c9cc08172k","","x-ray","0.71073","MoKα","","0.0531","0.036","","","0.0606","0.0651","","","","","","1.047","","","","has coordinates","248841","2020-10-21","18:00:00",""
"7125782","7.4306","0.0005","7.9327","0.0006","13.4641","0.0011","103.629","0.006","95.575","0.006","104.678","0.006","735.66","0.1","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 O4 Re2 Se -","- C14 H10 O4 Re2 Se -","- C28 H20 O8 Re4 Se2 -","2","1","","Hill, Anthony F.; Watson, Lachlan J.","A heterobimetallic cumulenic μ-carbido complex.","Chemical communications (Cambridge, England)","2020","56","15","2356","2359","10.1039/c9cc08172k","","x-ray","0.71073","MoKα","","0.0447","0.031","","","0.0466","0.0504","","","","","","1.017","","","","has coordinates","248841","2020-10-21","18:00:00",""
"7125783","9.2972","0.0019","10.943","0.002","14.517","0.003","97.63","0.03","104.8","0.03","98.88","0.03","1387.7","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 N2 O4 Zn -","- C34 H26 N2 O4 Zn -","- C68 H52 N4 O8 Zn2 -","2","1","","Li, Ni-Ya; Chen, Jing-Min; Tang, Xiao-Yan; Zhang, Guo-Ping; Liu, Dong","Reversible single-crystal-to-single-crystal conversion of a photoreactive coordination network for rewritable optical memory storage.","Chemical communications (Cambridge, England)","2020","56","13","1984","1987","10.1039/c9cc09081a","","","0.71073","MoKα","","0.0456","0.0368","","","0.0928","0.0991","","","","","","1.031","","","","has coordinates","248828","2020-10-21","18:00:00",""
"7125784","9.3272","0.0019","11.065","0.002","14.204","0.003","94.76","0.03","106.97","0.03","98.35","0.03","1375","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 N2 O4 Zn -","- C34 H26 N2 O4 Zn -","- C68 H52 N4 O8 Zn2 -","2","1","","Li, Ni-Ya; Chen, Jing-Min; Tang, Xiao-Yan; Zhang, Guo-Ping; Liu, Dong","Reversible single-crystal-to-single-crystal conversion of a photoreactive coordination network for rewritable optical memory storage.","Chemical communications (Cambridge, England)","2020","56","13","1984","1987","10.1039/c9cc09081a","","","0.71073","MoKα","","0.0755","0.0486","","","0.1086","0.1215","","","","","","1.037","","","","has coordinates","248828","2020-10-21","18:00:00",""
"7125785","9.1552","0.0018","10.954","0.002","14.582","0.003","97.65","0.03","104.66","0.03","98.55","0.03","1376.6","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 N2 O4 Zn -","- C34 H26 N2 O4 Zn -","- C68 H52 N4 O8 Zn2 -","2","1","","Li, Ni-Ya; Chen, Jing-Min; Tang, Xiao-Yan; Zhang, Guo-Ping; Liu, Dong","Reversible single-crystal-to-single-crystal conversion of a photoreactive coordination network for rewritable optical memory storage.","Chemical communications (Cambridge, England)","2020","56","13","1984","1987","10.1039/c9cc09081a","","","0.71073","MoKα","","0.0674","0.0493","","","0.1309","0.146","","","","","","1.06","","","","has coordinates","248828","2020-10-21","18:00:00",""
"7125786","10.316","0.002","14.614","0.003","31.37","0.006","90","","90","","90","","4729.3","1.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H60 O10 Si2 -","- C48 H60 O10 Si2 -","- C192 H240 O40 Si8 -","4","1","","Zhao, Yachen; Wang, Shengyang; Yu, Biao","Dimerization of aldosuloses and aldonolactones into branched higher carbon sugars.","Chemical communications (Cambridge, England)","2020","56","13","2020","2022","10.1039/c9cc09093b","","","1.54178","CuKα","","0.0505","0.0401","","","0.0966","0.1028","","","","","","1.034","","","","has coordinates","248827","2020-10-21","18:00:00",""
"7125787","10.622","0.0017","29.251","0.004","15.2076","0.0012","90","","91.972","0.011","90","","4722.3","1.1","301","2","301","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H59 O10 Si2 -","- C48 H59 O10 Si2 -","- C192 H236 O40 Si8 -","4","2","","Zhao, Yachen; Wang, Shengyang; Yu, Biao","Dimerization of aldosuloses and aldonolactones into branched higher carbon sugars.","Chemical communications (Cambridge, England)","2020","56","13","2020","2022","10.1039/c9cc09093b","","","1.54178","CuKα","","0.0453","0.0374","","","0.0912","0.0985","","","","","","0.966","","","","has coordinates","248827","2020-10-21","18:00:00",""
"7125788","8.5482","0.0016","9.8574","0.0019","10.674","0.002","82.65","0.006","67.265","0.005","68.386","0.006","771.1","0.3","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H44 O12 Si -","- C27 H44 O12 Si -","- C27 H44 O12 Si -","1","1","","Zhao, Yachen; Wang, Shengyang; Yu, Biao","Dimerization of aldosuloses and aldonolactones into branched higher carbon sugars.","Chemical communications (Cambridge, England)","2020","56","13","2020","2022","10.1039/c9cc09093b","","","0.71073","MoKα","","0.1137","0.0877","","","0.2228","0.2534","","","","","","1.035","","","","has coordinates","248827","2020-10-21","18:00:00",""
"7125789","11.2418","0.0003","6.7238","0.0002","12.8125","0.0004","90","","102.473","0.001","90","","945.61","0.05","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O10 -","- C18 H24 O10 -","- C36 H48 O20 -","2","1","","Zhao, Yachen; Wang, Shengyang; Yu, Biao","Dimerization of aldosuloses and aldonolactones into branched higher carbon sugars.","Chemical communications (Cambridge, England)","2020","56","13","2020","2022","10.1039/c9cc09093b","","","1.54178","CuKα","","0.0275","0.0272","","","0.071","0.0712","","","","","","1.039","","","","has coordinates","248827","2020-10-21","18:00:00",""
"7125790","9.696","0.0007","21.8766","0.0015","10.7943","0.0007","90","","114.535","0.002","90","","2082.9","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H28 O8 Si -","- C17 H28 O8 Si -","- C68 H112 O32 Si4 -","4","2","","Zhao, Yachen; Wang, Shengyang; Yu, Biao","Dimerization of aldosuloses and aldonolactones into branched higher carbon sugars.","Chemical communications (Cambridge, England)","2020","56","13","2020","2022","10.1039/c9cc09093b","","","0.71073","MoKα","","0.0615","0.0452","","","0.1049","0.1165","","","","","","1.012","","","","has coordinates","248827","2020-10-21","18:00:00",""
"7125791","9.9589","0.0002","10.3374","0.0002","17.3428","0.0003","90","","90","","90","","1785.43","0.06","241","2","241","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C80 H64 N8 O16 -","4","1","","Ruan, Sai; Zhong, Xia; Chen, Quangang; Feng, Xiaoming; Liu, Xiaohua","An asymmetric hydrocyanation/Michael reaction of α-diazoacetates via Cu(i)/chiral guanidine catalysis.","Chemical communications (Cambridge, England)","2020","56","14","2155","2158","10.1039/c9cc09521g","","","1.54178","CuKα","","0.038","0.0366","","","0.094","0.0956","","","","","","0.99","","","","has coordinates","248834","2020-10-21","18:00:00",""
"7125792","21.3357","0.0006","15.3136","0.0004","16.1347","0.0005","90","","93.71","0.001","90","","5260.6","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H74 As2 Ge2 N4 -","- C54 H74 As2 Ge2 N4 -","- C216 H296 As8 Ge8 N16 -","4","1","","Cui, Haiyan; Xiao, Dengmengfei; Zhang, Li; Ruan, Huapeng; Fang, Yong; Zhao, Yue; Tan, Gengwen; Zhao, Lili; Frenking, Gernot; Driess, Matthias; Wang, Xinping","Isolable cyclic radical cations of heavy main-group elements.","Chemical communications (Cambridge, England)","2020","56","14","2167","2170","10.1039/c9cc09582a","","","1.34139","GaKα","","0.0512","0.0425","","","0.1103","0.1176","","","","","","1.053","","","","has coordinates","248830","2020-10-21","18:00:00",""
"7125793","29.5048","0.0015","16.5238","0.0007","19.4551","0.0009","90","","118.25","0.002","90","","8355.2","0.7","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C70 H74 Al F36 Ge2 N4 O4 P2 -","- C70 H74 Al F36 Ge2 N4 O4 P2 -","- C280 H296 Al4 F144 Ge8 N16 O16 P8 -","4","0.5","","Cui, Haiyan; Xiao, Dengmengfei; Zhang, Li; Ruan, Huapeng; Fang, Yong; Zhao, Yue; Tan, Gengwen; Zhao, Lili; Frenking, Gernot; Driess, Matthias; Wang, Xinping","Isolable cyclic radical cations of heavy main-group elements.","Chemical communications (Cambridge, England)","2020","56","14","2167","2170","10.1039/c9cc09582a","","","0.71073","MoKα","","0.1309","0.0956","","","0.1998","0.2098","","","","","","1.203","","","","has coordinates,has disorder","248830","2020-10-21","18:00:00",""
"7125794","19.7185","0.0018","19.794","0.002","22.651","0.002","90","","90","","90","","8840.9","1.4","123","2","123","2","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C76 H79 Al As2 F37 Ge2 N4 O4 -","- C76 H79 Al As2 F37 Ge2 N4 O4 -","- C304 H316 Al4 As8 F148 Ge8 N16 O16 -","4","0.5","","Cui, Haiyan; Xiao, Dengmengfei; Zhang, Li; Ruan, Huapeng; Fang, Yong; Zhao, Yue; Tan, Gengwen; Zhao, Lili; Frenking, Gernot; Driess, Matthias; Wang, Xinping","Isolable cyclic radical cations of heavy main-group elements.","Chemical communications (Cambridge, England)","2020","56","14","2167","2170","10.1039/c9cc09582a","","","0.71073","MoKα","","0.0571","0.051","","","0.1394","0.146","","","","","","1.008","","","","has coordinates,has disorder","248830","2020-10-21","18:00:00",""
"7125795","7.6521","0.0001","11.7979","0.0002","20.7618","0.0003","90","","90","","90","","1874.35","0.05","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 B Br F2 N3 O -","- C19 H21 B Br F2 N3 O -","- C76 H84 B4 Br4 F8 N12 O4 -","4","1","","Ren, Xiaojie; Zhang, Fan; Luo, Hongchen; Liao, Lide; Song, Xiangzhi; Chen, Wenqiang","Red-emitting boron difluoride complexes with a mega-large Stokes shift and unexpectedly high fluorescence quantum yield.","Chemical communications (Cambridge, England)","2020","56","14","2159","2162","10.1039/c9cc09523c","","","0.71073","MoKα","","0.0402","0.0295","","","0.0647","0.0674","","","","","","1.009","","","","has coordinates","248836","2020-10-21","18:00:00",""
"7125796","17.9568","0.0009","9.8598","0.0006","20.8696","0.0012","90","","90.927","0.003","90","","3694.5","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 Mn O3 P2 -","- C34 H25 Mn O3 P2 -","- C136 H100 Mn4 O12 P8 -","4","1","","Kireev, Nikolay V.; Filippov, Oleg A.; Gulyaeva, Ekaterina S.; Shubina, Elena S.; Vendier, Laure; Canac, Yves; Sortais, Jean-Baptiste; Lugan, Noël; Valyaev, Dmitry A.","Bis[diphenylphosphino]methane and its bridge-substituted analogues as chemically non-innocent ligands for H<sub>2</sub> activation.","Chemical communications (Cambridge, England)","2020","56","14","2139","2142","10.1039/c9cc07713h","","","0.71073","MoKα","","0.062","0.0466","","","0.1373","0.147","","","","","","0.97","","","","has coordinates","248831","2020-10-21","18:00:00",""
"7125797","12.7697","0.0005","16.2687","0.0006","13.7964","0.0006","90","","97.868","0.002","90","","2839.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 Mn O3 P2 -","- C34 H27 Mn O3 P2 -","- C136 H108 Mn4 O12 P8 -","4","1","","Kireev, Nikolay V.; Filippov, Oleg A.; Gulyaeva, Ekaterina S.; Shubina, Elena S.; Vendier, Laure; Canac, Yves; Sortais, Jean-Baptiste; Lugan, Noël; Valyaev, Dmitry A.","Bis[diphenylphosphino]methane and its bridge-substituted analogues as chemically non-innocent ligands for H<sub>2</sub> activation.","Chemical communications (Cambridge, England)","2020","56","14","2139","2142","10.1039/c9cc07713h","","x-ray","0.71073","MoKα","","0.0249","0.0229","","","0.0602","0.0619","","","","","","1.055","","","","has coordinates","248831","2020-10-21","18:00:00",""
"7125798","12.3904","0.0001","26.0236","0.0002","13.0998","0.0001","90","","94.131","0.001","90","","4212.96","0.06","200","0.1","200","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 Ag3 Cl3 F9 N O6 P2 -","- C36 H24 Ag3 Cl3 F9 N O6 P2 -","- C144 H96 Ag12 Cl12 F36 N4 O24 P8 -","4","1","","Yang, Jin-Sen; Zhang, Miao-Miao; Han, Zhen; Li, Hai-Yang; Li, Lin-Ke; Dong, Xi-Yan; Zang, Shuang-Quan; Mak, Thomas C. W.","A new silver cluster that emits bright-blue phosphorescence.","Chemical communications (Cambridge, England)","2020","56","16","2451","2454","10.1039/c9cc09439c","","x-ray","1.54184","CuKα","","0.041","0.0365","","","0.0943","0.097","","","","","","1.029","","","","has coordinates,has disorder","248814","2020-10-21","18:00:00",""
"7125799","15.4258","0.0011","10.0015","0.0008","26.8115","0.0018","90","","93.829","0.002","90","","4127.3","0.5","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H64 Br2 P2 -","- C42 H64 Br2 P2 -","- C168 H256 Br8 P8 -","4","1","","Ohtsuki, Kazuaki; Walsgrove, Henry T. G.; Hayashi, Yoshihiro; Kawauchi, Susumu; Patrick, Brian O.; Gates, Derek P.; Ito, Shigekazu","Diels-Alder reactions of 1-phosphabutadienes: a highly selective route to P[double bond, length as m-dash]C-substituted phosphacyclohexenes.","Chemical communications (Cambridge, England)","2020","56","5","774","777","10.1039/c9cc08997g","","","0.71075","MoKα","","0.1525","0.0865","","","0.1904","0.2323","","","","","","1.187","","","","has coordinates","247588","2020-10-21","18:00:00",""
"7125800","9.4889","0.0005","22.8642","0.0011","23.9461","0.0011","90","","101.002","0.001","90","","5099.8","0.4","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H74 Cl6 P2 Pd -","- C46 H74 Cl6 P2 Pd -","- C184 H296 Cl24 P8 Pd4 -","4","1","","Ohtsuki, Kazuaki; Walsgrove, Henry T. G.; Hayashi, Yoshihiro; Kawauchi, Susumu; Patrick, Brian O.; Gates, Derek P.; Ito, Shigekazu","Diels-Alder reactions of 1-phosphabutadienes: a highly selective route to P[double bond, length as m-dash]C-substituted phosphacyclohexenes.","Chemical communications (Cambridge, England)","2020","56","5","774","777","10.1039/c9cc08997g","","x-ray","0.71073","MoKα","","0.0834","0.0469","","","0.0856","0.0972","","","","","","1.014","","","","has coordinates,has disorder","247588","2020-10-21","18:00:00",""
"7125801","20.2458","0.0006","10.192","0.0003","39.8543","0.0011","90","","95.509","0.001","90","","8185.8","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H70 P2 -","- C44 H70 P2 -","- C352 H560 P16 -","8","2","","Ohtsuki, Kazuaki; Walsgrove, Henry T. G.; Hayashi, Yoshihiro; Kawauchi, Susumu; Patrick, Brian O.; Gates, Derek P.; Ito, Shigekazu","Diels-Alder reactions of 1-phosphabutadienes: a highly selective route to P[double bond, length as m-dash]C-substituted phosphacyclohexenes.","Chemical communications (Cambridge, England)","2020","56","5","774","777","10.1039/c9cc08997g","","x-ray","0.71073","MoKα","","0.0766","0.0441","","","0.0902","0.1021","","","","","","0.998","","","","has coordinates","247588","2020-10-21","18:00:00",""
"7125802","13.634","0.003","23.059","0.005","6.8383","0.0014","90","","90","","90","","2149.9","0.8","296","2","296","2","","","","","","","","4","I b a m","-I 2 2c","72","","4,10-di-tert-butyl-bis([1,2,3]dithiazolo)[5,4-a:5',4'-h]phenazine","","- C20 H20 N4 S4 -","- C20 H20 N4 S4 -","- C80 H80 N16 S16 -","4","0.25","","Makarov, Alexander Yu; Volkova, Yulia M.; Shundrin, Leonid A.; Dmitriev, Alexey A.; Irtegova, Irina G.; Bagryanskaya, Irina Yu; Shundrina, Inna K.; Gritsan, Nina P.; Beckmann, Jens; Zibarev, Andrey V.","Chemistry of Herz radicals: a new way to near-IR dyes with multiple long-lived and differently-coloured redox states.","Chemical communications (Cambridge, England)","2020","56","5","727","730","10.1039/c9cc08557b","","","0.71073","MoKα","","0.0711","0.039","","","0.0929","0.1128","","","","","","1.057","","","","has coordinates","247589","2020-10-21","18:00:00",""
"7125803","12.8899","0.0003","21.9751","0.0006","10.8024","0.0003","90","","98.673","0.001","90","","3024.86","0.14","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cl8 Ga2 N2 O S4 -","- C14 H20 Cl8 Ga2 N2 O S4 -","- C56 H80 Cl32 Ga8 N8 O4 S16 -","4","1","","Makarov, Alexander Yu; Volkova, Yulia M.; Shundrin, Leonid A.; Dmitriev, Alexey A.; Irtegova, Irina G.; Bagryanskaya, Irina Yu; Shundrina, Inna K.; Gritsan, Nina P.; Beckmann, Jens; Zibarev, Andrey V.","Chemistry of Herz radicals: a new way to near-IR dyes with multiple long-lived and differently-coloured redox states.","Chemical communications (Cambridge, England)","2020","56","5","727","730","10.1039/c9cc08557b","","","0.71073","MoKα","","0.049","0.034","","","0.0858","0.0939","","","","","","1.037","","","","has coordinates","247589","2020-10-21","18:00:00",""
"7125804","7.7987","0.0004","11.1508","0.0006","11.7044","0.0007","68.737","0.002","82.028","0.002","70.79","0.002","895.51","0.09","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","4,10-di-tert-butyl-bis([1,2,3]dithiazolo)[5,4-a:5',4'-h]phenazinediium bis(trifluoromethanesulfonate), solvate with acetonitrile","","- C13 H13 F3 N3 O3 S3 -","- C13 H13 F3 N3 O3 S3 -","- C26 H26 F6 N6 O6 S6 -","2","1","","Makarov, Alexander Yu; Volkova, Yulia M.; Shundrin, Leonid A.; Dmitriev, Alexey A.; Irtegova, Irina G.; Bagryanskaya, Irina Yu; Shundrina, Inna K.; Gritsan, Nina P.; Beckmann, Jens; Zibarev, Andrey V.","Chemistry of Herz radicals: a new way to near-IR dyes with multiple long-lived and differently-coloured redox states.","Chemical communications (Cambridge, England)","2020","56","5","727","730","10.1039/c9cc08557b","","","0.71073","MoKα","","0.0633","0.0398","","","0.1082","0.1276","","","","","","1.006","","","","has coordinates","247589","2020-10-21","18:00:00",""
"7125805","17.0008","0.0015","12.4285","0.0012","18.4315","0.0018","90","","90","","90","","3894.5","0.6","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4,10-di-tert-butyl-bis([1,2,3]dithiazolo)[5,4-a:5',4'-h]phenazinediium bis(tetrachlorogallate), solvate with acetonitrile","","- C24 H26 Cl8 Ga2 N6 S4 -","- C24 H26 Cl8 Ga2 N6 S4 -","- C96 H104 Cl32 Ga8 N24 S16 -","4","0.5","","Makarov, Alexander Yu; Volkova, Yulia M.; Shundrin, Leonid A.; Dmitriev, Alexey A.; Irtegova, Irina G.; Bagryanskaya, Irina Yu; Shundrina, Inna K.; Gritsan, Nina P.; Beckmann, Jens; Zibarev, Andrey V.","Chemistry of Herz radicals: a new way to near-IR dyes with multiple long-lived and differently-coloured redox states.","Chemical communications (Cambridge, England)","2020","56","5","727","730","10.1039/c9cc08557b","","","0.71073","MoKα","","0.098","0.0584","","","0.1489","0.1723","","","","","","1.032","","","","has coordinates","247589","2020-10-21","18:00:00",""
"7125806","15.6419","0.0011","6.7683","0.0005","25.762","0.003","90","","100.258","0.005","90","","2683.8","0.4","296","2","296","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","C20 H18 N4 S4, Cl4 Ga","","- C20 H18 Cl4 Ga N4 S4 -","- C20 H18.5 Cl4 Ga N4 S4 -","- C80 H74 Cl16 Ga4 N16 S16 -","4","0.5","","Makarov, Alexander Yu; Volkova, Yulia M.; Shundrin, Leonid A.; Dmitriev, Alexey A.; Irtegova, Irina G.; Bagryanskaya, Irina Yu; Shundrina, Inna K.; Gritsan, Nina P.; Beckmann, Jens; Zibarev, Andrey V.","Chemistry of Herz radicals: a new way to near-IR dyes with multiple long-lived and differently-coloured redox states.","Chemical communications (Cambridge, England)","2020","56","5","727","730","10.1039/c9cc08557b","","","0.71073","MoKα","","0.1219","0.0961","","","0.2633","0.2951","","","","","","1.044","","","","has coordinates,has disorder","247589","2020-10-21","18:00:00",""
"7125807","26.008","0.005","7.0295","0.0014","14.98","0.003","90","","120.32","0.03","90","","2364.1","1.1","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","4,7-di-tert-butylbis[1,2,3]dithiazolo[4'5':3,4;5',4':8,9]dibenzo [c,e][1?4?2,2,7]thiadiazepine","","- C20 H20 N4 S5 -","- C20 H20 N4 S5 -","- C80 H80 N16 S20 -","4","0.5","","Makarov, Alexander Yu; Volkova, Yulia M.; Shundrin, Leonid A.; Dmitriev, Alexey A.; Irtegova, Irina G.; Bagryanskaya, Irina Yu; Shundrina, Inna K.; Gritsan, Nina P.; Beckmann, Jens; Zibarev, Andrey V.","Chemistry of Herz radicals: a new way to near-IR dyes with multiple long-lived and differently-coloured redox states.","Chemical communications (Cambridge, England)","2020","56","5","727","730","10.1039/c9cc08557b","","","0.71073","MoKα","","0.0898","0.0479","","","0.1114","0.1272","","","","","","1.054","","","","has coordinates","247589","2020-10-21","18:00:00",""
"7125808","7.9057","0.0007","11.8661","0.0012","13.7217","0.0014","110.248","0.004","104.718","0.004","97.976","0.004","1131","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","4-tert-butylbenzo[1,2-d:3,4-d']bis([1,2,3]dithiazolium) bis(trifluoromethanesulfonate)","","- C12 H10 F6 N2 O6 S6 -","- C12 H10 F6 N2 O6 S6 -","- C24 H20 F12 N4 O12 S12 -","2","1","","Makarov, Alexander Yu; Volkova, Yulia M.; Shundrin, Leonid A.; Dmitriev, Alexey A.; Irtegova, Irina G.; Bagryanskaya, Irina Yu; Shundrina, Inna K.; Gritsan, Nina P.; Beckmann, Jens; Zibarev, Andrey V.","Chemistry of Herz radicals: a new way to near-IR dyes with multiple long-lived and differently-coloured redox states.","Chemical communications (Cambridge, England)","2020","56","5","727","730","10.1039/c9cc08557b","","","0.71073","MoKα","","0.086","0.0458","","","0.1093","0.138","","","","","","1.035","","","","has coordinates","247589","2020-10-21","18:00:00",""
"7125809","7.196","0.003","10.589","0.004","15.296","0.007","100.19","0.014","99.014","0.015","98.771","0.015","1113.3","0.8","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","4,10-di-tert-butyl-bis([1,2,3]dithiazolo)[5,4-a:5',4'-h]phenazinediium bis(tetrachlorogallate), solvate with toluene","","- C32 H20 Cl8 Ga2 N4 S4 -","- C32 H20 Cl8 Ga2 N4 S4 -","- C32 H20 Cl8 Ga2 N4 S4 -","1","0.5","","Makarov, Alexander Yu; Volkova, Yulia M.; Shundrin, Leonid A.; Dmitriev, Alexey A.; Irtegova, Irina G.; Bagryanskaya, Irina Yu; Shundrina, Inna K.; Gritsan, Nina P.; Beckmann, Jens; Zibarev, Andrey V.","Chemistry of Herz radicals: a new way to near-IR dyes with multiple long-lived and differently-coloured redox states.","Chemical communications (Cambridge, England)","2020","56","5","727","730","10.1039/c9cc08557b","","","0.71073","MoKα","","0.1249","0.0657","","","0.1762","0.2072","","","","","","1.039","","","","has coordinates","247589","2020-10-21","18:00:00",""
"7125810","14.0023","0.0005","18.12","0.0008","19.4694","0.0009","97.894","0.004","110.964","0.004","98.644","0.003","4461.6","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H56 B10 N4 O2 Si2 -","- C34 H56 B10 N4 O2 Si2 -","- C136 H224 B40 N16 O8 Si8 -","4","2","","Xiong, Yun; Yao, Shenglai; Szilvási, Tibor; Ruzicka, Ales; Driess, Matthias","Homocoupling of CO and isocyanide mediated by a C,C'-bis(silylenyl)-substituted ortho-carborane.","Chemical communications (Cambridge, England)","2020","56","5","747","750","10.1039/c9cc08680c","","","1.54184","CuKα","","0.1033","0.0573","","","0.1333","0.1582","","","","","","0.997","","","","has coordinates","247586","2020-10-21","18:00:00",""
"7125811","16.3688","0.0002","16.3773","0.0002","20.0064","0.0002","90","","96.451","0.001","90","","5329.29","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H74 B10 N6 Si2 -","- C50 H74 B10 N6 Si2 -","- C200 H296 B40 N24 Si8 -","4","1","","Xiong, Yun; Yao, Shenglai; Szilvási, Tibor; Ruzicka, Ales; Driess, Matthias","Homocoupling of CO and isocyanide mediated by a C,C'-bis(silylenyl)-substituted ortho-carborane.","Chemical communications (Cambridge, England)","2020","56","5","747","750","10.1039/c9cc08680c","","","1.54184","CuKα","","0.0538","0.0426","","","0.108","0.1186","","","","","","1.015","","","","has coordinates","247586","2020-10-21","18:00:00",""
"7125812","10.5064","0.0002","13.7489","0.0002","36.4349","0.0008","90","","97.87","0.002","90","","5213.5","0.17","99.9","0.3","99.9","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H18 F15 N6 O4 Rh2 -","- C67 H18.68 F15 N6 O4 Rh2 -","- C268 H74.72 F60 N24 O16 Rh8 -","4","1","","Samala, Srinivas; Dutta, Ranjan; He, Qing; Park, Yeonju; Chandra, Brijesh; Lynch, Vincent M.; Jung, Young Mee; Sessler, Jonathan L.; Lee, Chang-Hee","A robust bis-rhodium(i) complex of π-extended planar, anti-aromatic hexaphyrin[1.0.1.0.1.0].","Chemical communications (Cambridge, England)","2020","56","5","758","761","10.1039/c9cc09221h","","x-ray","1.54184","CuKα","","0.1035","0.0929","","","0.2224","0.2295","","","","","","1.153","","","","has coordinates,has disorder","247585","2020-10-21","18:00:00",""
"7125813","5.093","0.004","18.689","0.015","24.05","0.02","90","","93.684","0.01","90","","2284","3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cl N5 O2 S -","- C23 H20 Cl N5 O2 S -","- C92 H80 Cl4 N20 O8 S4 -","4","1","","Zhao, Xiaolei; Zheng, Wei; Zhang, Yi; Huang, Wei","cis alkenes stabilized by intramolecular sulphurπ interactions.","Chemical communications (Cambridge, England)","2020","56","5","814","817","10.1039/c9cc08558k","","","0.71073","MoKα","","0.2352","0.0988","","","0.2219","0.2838","","","","","","0.907","","","","has coordinates","247590","2020-10-21","18:00:00",""
"7125814","10.9364","0.0011","10.8589","0.0011","38.833","0.004","90","","91.052","0.002","90","","4610.9","0.8","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 Cl N5 O2 S -","- C23 H20 Cl N5 O2 S -","- C184 H160 Cl8 N40 O16 S8 -","8","2","","Zhao, Xiaolei; Zheng, Wei; Zhang, Yi; Huang, Wei","cis alkenes stabilized by intramolecular sulphurπ interactions.","Chemical communications (Cambridge, England)","2020","56","5","814","817","10.1039/c9cc08558k","","","0.71073","MoKα","","0.1599","0.0892","","","0.2135","0.2444","","","","","","1.005","","","","has coordinates","247590","2020-10-21","18:00:00",""
"7125815","14.7727","0.0015","7.6261","0.0008","19.442","0.002","90","","95.253","0.002","90","","2181.1","0.4","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Cl N4 S -","- C23 H21 Cl N4 S -","- C92 H84 Cl4 N16 S4 -","4","1","","Zhao, Xiaolei; Zheng, Wei; Zhang, Yi; Huang, Wei","cis alkenes stabilized by intramolecular sulphurπ interactions.","Chemical communications (Cambridge, England)","2020","56","5","814","817","10.1039/c9cc08558k","","","0.71073","MoKα","","0.0894","0.0662","","","0.1768","0.192","","","","","","1.072","","","","has coordinates","247590","2020-10-21","18:00:00",""
"7125816","7.9024","0.0015","9.4958","0.0017","15.018","0.003","78.986","0.004","87.8","0.005","85.372","0.005","1102.3","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 Cl N4 S -","- C24 H23 Cl N4 S -","- C48 H46 Cl2 N8 S2 -","2","1","","Zhao, Xiaolei; Zheng, Wei; Zhang, Yi; Huang, Wei","cis alkenes stabilized by intramolecular sulphurπ interactions.","Chemical communications (Cambridge, England)","2020","56","5","814","817","10.1039/c9cc08558k","","","0.71073","MoKα","","0.0998","0.0525","","","0.1076","0.1248","","","","","","1.014","","","","has coordinates,has disorder","247590","2020-10-21","18:00:00",""
"7125817","12.225","0.004","12.945","0.004","15.227","0.005","114.539","0.005","95.09","0.006","93.604","0.005","2170.2","1.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 Cl N4 S -","- C23 H21 Cl N4 S -","- C92 H84 Cl4 N16 S4 -","4","2","","Zhao, Xiaolei; Zheng, Wei; Zhang, Yi; Huang, Wei","cis alkenes stabilized by intramolecular sulphurπ interactions.","Chemical communications (Cambridge, England)","2020","56","5","814","817","10.1039/c9cc08558k","","","0.71073","MoKα","","0.1627","0.0805","","","0.1853","0.2216","","","","","","0.959","","","","has coordinates","247590","2020-10-21","18:00:00",""
"7125818","16.6866","0.0006","6.5849","0.0003","34.8753","0.0018","90","","94.826","0.004","90","","3818.5","0.3","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","HOF","","- C31 H29 N13 O -","- C31 H28 N13 O -","- C124 H112 N52 O4 -","4","1","","Wang, Yijie; Liu, Di; Yin, Jianbo; Shang, Yanxue; Du, Juan; Kang, Zixi; Wang, Rongming; Chen, Yanli; Sun, Daofeng; Jiang, Jianzhuang","An ultrafast responsive NO<sub>2</sub> gas sensor based on a hydrogen-bonded organic framework material.","Chemical communications (Cambridge, England)","2020","56","5","703","706","10.1039/c9cc09171h","","","1.54178","CuKα","","0.1338","0.0825","","","0.2108","0.2433","","","","","","0.937","","","","has coordinates","247587","2020-10-21","18:00:00",""
"7125819","16.2396","0.0006","6.5461","0.0002","33.4443","0.0011","90","","90.79","0.003","90","","3555","0.2","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","HOF","","- C34 H37 N14 O3 -","- C34 H37 N14 O3 -","- C136 H148 N56 O12 -","4","1","","Wang, Yijie; Liu, Di; Yin, Jianbo; Shang, Yanxue; Du, Juan; Kang, Zixi; Wang, Rongming; Chen, Yanli; Sun, Daofeng; Jiang, Jianzhuang","An ultrafast responsive NO<sub>2</sub> gas sensor based on a hydrogen-bonded organic framework material.","Chemical communications (Cambridge, England)","2020","56","5","703","706","10.1039/c9cc09171h","","","1.54178","CuKα","","0.1054","0.0723","","","0.1787","0.2069","","","","","","1.023","","","","has coordinates","247587","2020-10-21","18:00:00",""
"7125820","21.631","0.002","23.063","0.002","31.541","0.003","80.614","0.002","81.403","0.002","70.344","0.002","14544","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- Cs12 K3 Mn O292 Si6 Ta18 W54 -","- Cs12 K3 Mn O292 Si6 Ta18 W54 -","- Cs24 K6 Mn2 O584 Si12 Ta36 W108 -","2","1","","Wu, Hai-Yang; Hu, Hai; Qin, Chao; Huang, Peng; Wang, Xin-Long; Su, Zhong-Min","Self-assembly and lithium storage performance of a nanoscale polyoxometalate based on the {MnTa<sub>18</sub>} cluster.","Chemical communications (Cambridge, England)","2020","56","16","2403","2406","10.1039/c9cc09263c","","","0.71073","MoKα","","0.218","0.0968","","","0.2285","0.3022","","","","","","0.981","","","","has coordinates","248820","2020-10-21","18:00:00",""
"7125821","20.8992","0.0003","15.4821","0.0002","30.637","0.0004","90","","90","","90","","9913","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C108 H59 B2 Cl5 F40 Zr3 -","- C108 H58 B2 Cl5 F40 Zr3 -","- C432 H232 B8 Cl20 F160 Zr12 -","4","1","","Budzelaar, Peter H. M.; Hughes, David L.; Bochmann, Manfred; Macchioni, Alceo; Rocchigiani, Luca","H<sub>2</sub> activation by zirconaziridinium ions: σ-bond metathesis versus frustrated Lewis pair reactivity.","Chemical communications (Cambridge, England)","2020","56","17","2542","2545","10.1039/c9cc09466k","","x-ray","0.71073","MoKα","","0.0592","0.0489","","","0.1087","0.1128","","","","","","1.024","","","","has coordinates,has disorder","248813","2020-10-21","18:00:00",""
"7125822","19.4385","0.0009","9.3554","0.0003","17.415","0.0008","90","","123.697","0.003","90","","2634.9","0.2","170","","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 Cl N2 -","- C16 H13 Cl N2 -","- C128 H104 Cl8 N16 -","8","1","","Liu, Jidan; Xu, Erjie; Jiang, Jinyuan; Huang, Zeng; Zheng, Liyao; Liu, Zhao-Qing","Copper-mediated tandem ring-opening/cyclization reactions of cyclopropanols with aryldiazonium salts: synthesis of N-arylpyrazoles.","Chemical communications (Cambridge, England)","2020","56","14","2202","2205","10.1039/c9cc09657d","","","0.71073","MoKα","","0.0469","0.0367","","","0.0925","0.1005","","","","","","0.993","","","","has coordinates","248833","2020-10-21","18:00:00",""
"7125823","13.0762","0.0014","6.6583","0.0007","21.175","0.002","90","","106.715","0.002","90","","1765.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O3 -","- C23 H17 N O3 -","- C92 H68 N4 O12 -","4","1","","Xie, Ya-Sa; Huang, Run-Feng; Li, Ran; Zhang, Chuan-Bao; Fu, Ji-Ya; Zhao, Li-Li; Yuan, Jin-Fang","Metal-free [3+3] benzannulation of 1-indanylidene-malononitrile with Morita-Baylis-Hillman carbonates: direct access to functionalized fluorene and fluorenone derivatives.","Chemical communications (Cambridge, England)","2020","56","13","1948","1951","10.1039/d0cc00143k","","","0.71073","MoKα","","0.0693","0.0479","","","0.1326","0.1474","","","","","","1.033","","","","has coordinates","248826","2020-10-21","18:00:00",""
"7125824","7.9242","0.0003","9.1825","0.0004","18.631","0.0008","90","","93","0.001","90","","1353.81","0.1","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C37 H26 N2 O -","- C37 H26 N2 O -","- C74 H52 N4 O2 -","2","1","","Li, Xiaobin; Zhang, Chengxi; Wang, Chenchen; Ye, Wenqiang; Zhang, Qian; Zhang, Zhiyun; Su, Jianhua; Chen, Yifeng; Tian, He","Modular synthesis of (C-10 to C-13)-substituted-9,14-diaryl-9,14-dihydrodibenzo[a,c]phenazines via a subsequent Buchwald-Hartwig amination and C-H amination strategy.","Chemical communications (Cambridge, England)","2020","56","15","2260","2263","10.1039/c9cc09997b","","","0.71073","MoKα","","0.0422","0.0355","","","0.0827","0.0877","","","","","","1.086","","","","has coordinates","248845","2020-10-21","18:00:00",""
"7125825","44.109","0.002","10.1725","0.0005","9.6069","0.0005","90","","90.827","0.002","90","","4310.2","0.4","300","2","300.02","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C216 H176 N16 O16 -","8","1","","Yu, Qing; Zhang, Xiaodong; Wu, Shou-Ting; Chen, Huaiyu; Zhang, Qi-Long; Xu, Hong; Huang, Ya-Li; Zhu, Bi-Xue; Ni, Xin-Long","Twisted Schiff-base macrocycle showing excited-state intramolecular proton-transfer (ESIPT): assembly and sensing properties.","Chemical communications (Cambridge, England)","2020","56","15","2304","2307","10.1039/c9cc09540c","","","0.71073","MoKα","","0.0686","0.0538","","","0.1339","0.1438","","","","","","1.062","","","","has coordinates","248844","2020-10-21","18:00:00",""
"7125826","8.8862","0.0004","9.2731","0.0005","14.1317","0.0006","90.728","0.004","101.126","0.004","116.691","0.005","1014.27","0.1","291.19","0.19","291.19","0.19","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Br N O2 -","- C24 H26 Br N O2 -","- C48 H52 Br2 N2 O4 -","2","1","","Zhao, Quan-Sheng; Xu, Guo-Qiang; Xu, Ji-Tao; Wang, Zhu-Yin; Xu, Peng-Fei","A lutidine-promoted photoredox catalytic atom-transfer radical cyclization reaction for the synthesis of 4-bromo-3,3-dialkyl-octahydro-indol-2-ones.","Chemical communications (Cambridge, England)","2020","56","14","2206","2209","10.1039/c9cc09876c","","x-ray","1.54184","CuKα","","0.043","0.0412","","","0.1066","0.1082","","","","","","1.068","","","","has coordinates","248832","2020-10-21","18:00:00",""
"7125827","8.7322","0.0005","9.3453","0.0004","13.9189","0.0007","90.64","0.004","99.884","0.004","116.102","0.005","1000.03","0.1","291.96","0.1","291.96","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cl N O2 -","- C24 H26 Cl N O2 -","- C48 H52 Cl2 N2 O4 -","2","1","","Zhao, Quan-Sheng; Xu, Guo-Qiang; Xu, Ji-Tao; Wang, Zhu-Yin; Xu, Peng-Fei","A lutidine-promoted photoredox catalytic atom-transfer radical cyclization reaction for the synthesis of 4-bromo-3,3-dialkyl-octahydro-indol-2-ones.","Chemical communications (Cambridge, England)","2020","56","14","2206","2209","10.1039/c9cc09876c","","x-ray","1.54184","CuKα","","0.05","0.0473","","","0.1218","0.1248","","","","","","1.078","","","","has coordinates","248832","2020-10-21","18:00:00",""
"7125828","9.0527","0.0001","10.5367","0.0001","17.9083","0.0002","90","","90","","90","","1708.19","0.03","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 F2 N2 O4 -","- C18 H16 F2 N2 O4 -","- C72 H64 F8 N8 O16 -","4","1","","Kong, Wei-Xin; Xie, Shi-Jing; Cao, Chen-Yao-Zi; Zhang, Chao-Wei; Wang, Chuanyong; Duan, Wei-Liang","Asymmetric construction of quaternary α-nitro amides by palladium-catalyzed C(sp<sup>3</sup>)-H arylation.","Chemical communications (Cambridge, England)","2020","56","15","2292","2295","10.1039/c9cc07854a","","","1.54178","CuKα","","0.037","0.0351","","","0.1024","0.105","","","","","","1.066","","","","has coordinates","248843","2020-10-21","18:00:00",""
"7125829","13.00568","0.00011","19.41913","0.00017","19.00129","0.00017","90","","105.701","0.0009","90","","4619.87","0.07","119.94","0.16","119.94","0.16","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C86 H142 Al2 K2 N6 O2 Si4 -","- C86 H142 Al2 K2 N6 O2 Si4 -","- C172 H284 Al4 K4 N12 O4 Si8 -","2","0.5","","Anker, Mathew D.; Schwamm, Ryan J.; Coles, Martyn P.","Synthesis and reactivity of a terminal aluminium-imide bond.","Chemical communications (Cambridge, England)","2020","56","15","2288","2291","10.1039/c9cc09214e","","x-ray","1.54184","CuKα","","0.034","0.0306","","","0.0792","0.0815","","","","","","1.026","","","","has coordinates","248839","2020-10-21","18:00:00",""
"7125830","10.22272","0.00006","26.48398","0.00015","15.22743","0.00009","90","","93.9074","0.0005","90","","4113.07","0.04","120.01","0.1","120.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H114 Al2 K2 N6 O6 Si4 -","- C76 H114 Al2 K2 N6 O6 Si4 -","- C152 H228 Al4 K4 N12 O12 Si8 -","2","0.5","","Anker, Mathew D.; Schwamm, Ryan J.; Coles, Martyn P.","Synthesis and reactivity of a terminal aluminium-imide bond.","Chemical communications (Cambridge, England)","2020","56","15","2288","2291","10.1039/c9cc09214e","","x-ray","1.54184","CuKα","","0.0313","0.029","","","0.0732","0.0747","","","","","","1.023","","","","has coordinates","248839","2020-10-21","18:00:00",""
"7125831","24.857","0.003","8.2443","0.0008","17.849","0.002","90","","104.733","0.012","90","","3537.5","0.7","293","2","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C176 H144 N16 O16 -","8","1","","He, Shiyu; Yan, Xufei; Lei, Yanxi; Xiang, Haifeng; Zhou, Xiangge","Rhodium-catalyzed annulative coupling of N-aryl-2-aminopyridine and propargylic amine via selective C-C and C-H bond activation.","Chemical communications (Cambridge, England)","2020","56","15","2284","2287","10.1039/c9cc09777e","","x-ray","0.71073","MoKα","","0.0796","0.0483","","","0.121","0.1369","","","","","","1.038","","","","has coordinates","248838","2020-10-21","18:00:00",""
"7125832","6.3469","0.0006","21.271","0.002","25.867","0.002","90","","90","","90","","3492.2","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 F3 N O -","- C20 H20 F3 N O -","- C160 H160 F24 N8 O8 -","8","1","","Liang, Xiaoyu; Guo, Pan; Yang, Wenjie; Li, Meng; Jiang, Chengzhou; Sun, Wangbin; Loh, Teck-Peng; Jiang, Yaojia","Stereoselective synthesis of trifluoromethyl-substituted 2H-furan-amines from enaminones.","Chemical communications (Cambridge, England)","2020","56","13","2043","2046","10.1039/c9cc08582c","","","0.71073","MoKα","","0.1269","0.0525","","","0.0922","0.114","","","","","","1.044","","","","has coordinates","248824","2020-10-21","18:00:00",""
"7125833","15.4864","0.0006","17.4686","0.0007","21.7327","0.0009","90","","92.335","0.001","90","","5874.4","0.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H98 Fe K N3 O8 Si6 -","- C38 H98 Fe K N3 O8 Si6 -","- C152 H392 Fe4 K4 N12 O32 Si24 -","4","1","","Werncke, Christian Gunnar; Müller, Igor","The ambiguous behaviour of diphosphines towards the quasilinear iron(i) complex [Fe(N(SiMe<sub>3</sub>)<sub>2</sub>)<sub>2</sub>]<sup>-</sup> - between inertness, P-C bond cleavage and C-C double bond isomerisation.","Chemical communications (Cambridge, England)","2020","56","15","2268","2271","10.1039/c9cc08968c","","x-ray","0.71073","MoKα","","0.0539","0.0367","","","0.0839","0.0913","","","","","","1.027","","","","has coordinates,has disorder","248840","2020-10-21","18:00:00",""
"7125834","11.66","0.002","13.061","0.002","20.875","0.004","73.368","0.005","74.116","0.006","75.985","0.005","2883.1","0.9","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H82 Fe K N2 O6 P2 Si4 -","- C50 H82 Fe K N2 O6 P2 Si4 -","- C100 H164 Fe2 K2 N4 O12 P4 Si8 -","2","1","","Werncke, Christian Gunnar; Müller, Igor","The ambiguous behaviour of diphosphines towards the quasilinear iron(i) complex [Fe(N(SiMe<sub>3</sub>)<sub>2</sub>)<sub>2</sub>]<sup>-</sup> - between inertness, P-C bond cleavage and C-C double bond isomerisation.","Chemical communications (Cambridge, England)","2020","56","15","2268","2271","10.1039/c9cc08968c","","x-ray","0.71073","MoKα","","0.1579","0.1199","","","0.2716","0.2856","","","","","","1.12","","","","has coordinates,has disorder","248840","2020-10-21","18:00:00",""
"7125835","13.1704","0.0006","15.3361","0.0007","15.4398","0.0007","97.045","0.002","103.248","0.002","95.214","0.002","2989.7","0.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C56 H82.48 Fe K N O8 P2 Si2 -","- C56 H82.48 Fe K N O8 P2 Si2 -","- C112 H164.96 Fe2 K2 N2 O16 P4 Si4 -","2","1","","Werncke, Christian Gunnar; Müller, Igor","The ambiguous behaviour of diphosphines towards the quasilinear iron(i) complex [Fe(N(SiMe<sub>3</sub>)<sub>2</sub>)<sub>2</sub>]<sup>-</sup> - between inertness, P-C bond cleavage and C-C double bond isomerisation.","Chemical communications (Cambridge, England)","2020","56","15","2268","2271","10.1039/c9cc08968c","","x-ray","0.71073","MoKα","","0.0453","0.0336","","","0.0713","0.0755","","","","","","1.025","","","","has coordinates,has disorder","248840","2020-10-21","18:00:00",""
"7125836","12.5633","0.0005","35.5283","0.0014","15.3551","0.0007","90","","99.326","0.002","90","","6763.2","0.5","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H98 Fe K N2 O8 P2 Si4 -","- C58 H98 Fe K N2 O8 P2 Si4 -","- C232 H392 Fe4 K4 N8 O32 P8 Si16 -","4","1","","Werncke, Christian Gunnar; Müller, Igor","The ambiguous behaviour of diphosphines towards the quasilinear iron(i) complex [Fe(N(SiMe<sub>3</sub>)<sub>2</sub>)<sub>2</sub>]<sup>-</sup> - between inertness, P-C bond cleavage and C-C double bond isomerisation.","Chemical communications (Cambridge, England)","2020","56","15","2268","2271","10.1039/c9cc08968c","","x-ray","0.71073","MoKα","","0.0511","0.0414","","","0.0973","0.1018","","","","","","1.064","","","","has coordinates,has disorder","248840","2020-10-21","18:00:00",""
"7125837","8.746","0.008","10.239","0.01","21.43","0.02","90","","97.29","0.08","90","","1904","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C84 H100 N4 O12 -","4","1","","Wang, Bo; He, Dan; Ren, Beige; Yao, Tuanli","Synthesis of imides via palladium-catalyzed three-component coupling of aryl halides, isocyanides and carboxylic acids.","Chemical communications (Cambridge, England)","2020","56","6","900","903","10.1039/c9cc08438j","","","0.71073","MoKα","","0.2019","0.0768","","","0.1784","0.2255","","","","","","1.044","","","","has coordinates","247060","2020-10-21","18:00:00",""
"7125838","8.7448","0.0008","12.2039","0.0012","13.7109","0.0012","71.125","0.004","73.114","0.004","76.737","0.004","1309.9","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H31 N O2 -","- C34 H31 N O2 -","- C68 H62 N2 O4 -","2","1","","Vrána, Jan; Samsonov, Maksim A.; Němec, Vlastimil; RůŽička, Aleš","Access to the most sterically crowded anilines via non-catalysed C-C coupling reactions.","Chemical communications (Cambridge, England)","2020","56","16","2487","2490","10.1039/c9cc09497k","","","0.71073","MoKα","","0.0941","0.0763","","","0.2389","0.2467","","","","","","1.076","","","","has coordinates","248823","2020-10-21","18:00:00",""
"7125839","16.515","0.004","6.8442","0.0013","24.238","0.004","90","","105.844","0.006","90","","2635.6","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30.5 N O2.5 -","- C35 H30.5 N O2.25 -","- C140 H122 N4 O9 -","4","1","","Vrána, Jan; Samsonov, Maksim A.; Němec, Vlastimil; RůŽička, Aleš","Access to the most sterically crowded anilines via non-catalysed C-C coupling reactions.","Chemical communications (Cambridge, England)","2020","56","16","2487","2490","10.1039/c9cc09497k","","","0.71073","MoKα","","0.1437","0.0791","","","0.1711","0.2014","","","","","","1.029","","","","has coordinates","248823","2020-10-21","18:00:00",""
"7125840","8.0461","0.0004","25.3743","0.0011","9.3223","0.0005","90","","98.68","0.002","90","","1881.48","0.16","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C43 H49 Cl2 N O2 -","- C43 H49 Cl2 N O2 -","- C86 H98 Cl4 N2 O4 -","2","0.5","","Vrána, Jan; Samsonov, Maksim A.; Němec, Vlastimil; RůŽička, Aleš","Access to the most sterically crowded anilines via non-catalysed C-C coupling reactions.","Chemical communications (Cambridge, England)","2020","56","16","2487","2490","10.1039/c9cc09497k","","","0.71073","MoKα","","0.0844","0.0653","","","0.1573","0.1683","","","","","","1.074","","","","has coordinates,has disorder","248823","2020-10-21","18:00:00",""
"7125841","10.694","0.001","14.5078","0.0015","16.6117","0.0017","96.571","0.005","104.496","0.005","90.146","0.005","2477.5","0.4","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H31 N -","- C34 H31 N -","- C136 H124 N4 -","4","2","","Vrána, Jan; Samsonov, Maksim A.; Němec, Vlastimil; RůŽička, Aleš","Access to the most sterically crowded anilines via non-catalysed C-C coupling reactions.","Chemical communications (Cambridge, England)","2020","56","16","2487","2490","10.1039/c9cc09497k","","","0.71073","MoKα","","0.1328","0.0985","","","0.2561","0.2837","","","","","","1.032","","","","has coordinates","248823","2020-10-21","18:00:00",""
"7125842","15.828","0.006","16.995","0.006","16.819","0.01","90","","90","","90","","4524","4","150","2","150","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- C56 H59 N -","- C56 H59 N -","- C224 H236 N4 -","4","0.5","","Vrána, Jan; Samsonov, Maksim A.; Němec, Vlastimil; RůŽička, Aleš","Access to the most sterically crowded anilines via non-catalysed C-C coupling reactions.","Chemical communications (Cambridge, England)","2020","56","16","2487","2490","10.1039/c9cc09497k","","","0.71073","MoKα","","0.0778","0.0544","","","0.1118","0.1219","","","","","","1.04","","","","has coordinates","248823","2020-10-21","18:00:00",""
"7125843","6.3152","0.0002","10.7638","0.0003","24.7246","0.0008","85.9667","0.0013","87.0612","0.0015","88.1823","0.0014","1673.63","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H47 N -","- C42 H47 N -","- C84 H94 N2 -","2","1","","Vrána, Jan; Samsonov, Maksim A.; Němec, Vlastimil; RůŽička, Aleš","Access to the most sterically crowded anilines via non-catalysed C-C coupling reactions.","Chemical communications (Cambridge, England)","2020","56","16","2487","2490","10.1039/c9cc09497k","","","0.71073","MoKα","","0.062","0.0523","","","0.132","0.1384","","","","","","1.022","","","","has coordinates","248823","2020-10-21","18:00:00",""
"7125844","8.755","0.0004","20.6545","0.0011","9.7582","0.0005","90","","106.074","0.002","90","","1695.59","0.15","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C45 H37 Cl2 N -","- C45 H37 Cl2 N -","- C90 H74 Cl4 N2 -","2","0.5","","Vrána, Jan; Samsonov, Maksim A.; Němec, Vlastimil; RůŽička, Aleš","Access to the most sterically crowded anilines via non-catalysed C-C coupling reactions.","Chemical communications (Cambridge, England)","2020","56","16","2487","2490","10.1039/c9cc09497k","","","0.71073","MoKα","","0.0728","0.056","","","0.1345","0.1433","","","","","","1.048","","","","has coordinates,has disorder","248823","2020-10-21","18:00:00",""
"7125845","19.1224","0.0007","13.9671","0.0005","20.7356","0.0007","90","","93.252","0.001","90","","5529.2","0.3","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C68 H83 N -","- C68 H83 N -","- C272 H332 N4 -","4","0.5","","Vrána, Jan; Samsonov, Maksim A.; Němec, Vlastimil; RůŽička, Aleš","Access to the most sterically crowded anilines via non-catalysed C-C coupling reactions.","Chemical communications (Cambridge, England)","2020","56","16","2487","2490","10.1039/c9cc09497k","","","0.71073","MoKα","","0.0613","0.0503","","","0.1233","0.13","","","","","","1.033","","","","has coordinates","248823","2020-10-21","18:00:00",""
"7125846","10.3051","0.0004","12.5154","0.0006","13.8322","0.0006","73.95","0.002","68.779","0.002","80.981","0.002","1594.98","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H43 N O2 -","- C40 H43 N O2 -","- C80 H86 N2 O4 -","2","1","","Vrána, Jan; Samsonov, Maksim A.; Němec, Vlastimil; RůŽička, Aleš","Access to the most sterically crowded anilines via non-catalysed C-C coupling reactions.","Chemical communications (Cambridge, England)","2020","56","16","2487","2490","10.1039/c9cc09497k","","","0.71073","MoKα","","0.0872","0.0587","","","0.145","0.1596","","","","","","1.031","","","","has coordinates","248823","2020-10-21","18:00:00",""
"7125847","12.8294","0.0002","12.9628","0.0002","17.3033","0.0005","81.9569","0.0007","83.7579","0.0007","84.127","0.002","2821.31","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 F4 N12 O21 S5 -","- C40 H44 F4 N12 O21 S5 -","- C80 H88 F8 N24 O42 S10 -","2","1","","Lavaud, Lucien; Azarias, Cloé; Canard, Gabriel; Pascal, Simon; Galiana, Joachim; Giorgi, Michel; Chen, Zhongrui; Jacquemin, Denis; Siri, Olivier","Fused bis-azacalixphyrin that reaches NIR-II absorptions.","Chemical communications (Cambridge, England)","2020","56","6","896","899","10.1039/c9cc09021e","","","0.71073","MoKα","","0.1416","0.0891","","","0.2328","0.2752","","","","","","1.026","","","","has coordinates,has disorder","247062","2020-10-21","18:00:00",""
"7125848","10.993","0.0003","12.9694","0.0004","14.3295","0.0007","94.206","0.003","106.083","0.003","103.833","0.003","1884.65","0.13","223","0.1","223","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C37 H47 N10 O8 -","- C37 H47 N10 O8 -","- C74 H94 N20 O16 -","2","1","","Lavaud, Lucien; Azarias, Cloé; Canard, Gabriel; Pascal, Simon; Galiana, Joachim; Giorgi, Michel; Chen, Zhongrui; Jacquemin, Denis; Siri, Olivier","Fused bis-azacalixphyrin that reaches NIR-II absorptions.","Chemical communications (Cambridge, England)","2020","56","6","896","899","10.1039/c9cc09021e","","x-ray","1.54184","CuKα","","0.0753","0.0652","","","0.1735","0.1824","","","","","","1.039","","","","has coordinates","247062","2020-10-21","18:00:00",""
"7125849","9.6383","0.0016","17.821","0.003","16.177","0.003","90","","91.925","0.006","90","","2777.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 B Cl N6 Ni -","- C27 H38 B Cl N6 Ni -","- C108 H152 B4 Cl4 N24 Ni4 -","4","1","","Hill, Ethan A.; Zhao, Norman; Filatov, Alexander S.; Anderson, John S.","Nickel(ii)-methyl complexes adopting unusual seesaw geometries.","Chemical communications (Cambridge, England)","2020","56","57","7861","7864","10.1039/c9cc09249h","","","0.71073","MoKα","","0.0633","0.0385","","","0.0847","0.0939","","","","","","1.014","","","","has coordinates","254883","2020-10-21","18:00:00",""
"7125850","34.481","0.003","34.481","0.003","13.9826","0.0014","90","","90","","90","","16624","3","110","2","110","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C46 H59 B N6 Ni -","- C46 H59 B N6 Ni -","- C736 H944 B16 N96 Ni16 -","16","1","","Hill, Ethan A.; Zhao, Norman; Filatov, Alexander S.; Anderson, John S.","Nickel(ii)-methyl complexes adopting unusual seesaw geometries.","Chemical communications (Cambridge, England)","2020","56","57","7861","7864","10.1039/c9cc09249h","","x-ray","0.41328","synchrotron","","0.0434","0.0412","","","0.0984","0.0997","","","","","","1.087","","","","has coordinates","254883","2020-10-21","18:00:00",""
"7125851","23.311","0.003","39.04","0.004","27.663","0.005","90","","106.026","0.004","90","","24197","6","200","2","200.15","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C154 H396 N72 Na2 Ni37.99 O280 P6 S6 W58.01 -","- C154 H396 N72 Na2 Ni37.984 O280 P6 S6 W58.016 -","- C308 H792 N144 Na4 Ni75.968 O560 P12 S12 W116.032 -","2","0.25","","Wang, Sa-Sa; Yang, Wen-Bin; Yang, Mingxue; Wu, Xiao-Yuan; Wu, Weiming; Wang, Song-Xia; Lin, Lang; Lu, Can-Zhong","A bi-polyoxometallate-based host-guest metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","16","2503","2506","10.1039/c9cc09008h","","","0.71073","MoKα","","0.0721","0.0422","","","0.0947","0.1196","","","","","","1.141","","","","has coordinates,has disorder","248822","2020-10-21","18:00:00",""
"7125852","13.4978","0.0005","14.1387","0.0005","35.9568","0.0012","90","","90","","90","","6862","0.4","100","0.2","100","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H57 N11 Ni7 O43 P W9 -","- C23 H57 N11 Ni7 O43 P W9 -","- C92 H228 N44 Ni28 O172 P4 W36 -","4","1","","Wang, Sa-Sa; Yang, Wen-Bin; Yang, Mingxue; Wu, Xiao-Yuan; Wu, Weiming; Wang, Song-Xia; Lin, Lang; Lu, Can-Zhong","A bi-polyoxometallate-based host-guest metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","16","2503","2506","10.1039/c9cc09008h","","x-ray","0.71073","MoKα","","0.0413","0.0371","","","0.0804","0.0826","","","","","","1.046","","","","has coordinates,has disorder","248822","2020-10-21","18:00:00",""
"7125853","13.4578","0.0004","14.1507","0.0006","36.0116","0.0011","90","","90","","90","","6858","0.4","100","0.2","100","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","orthorhombic","","- C23 H58 N10 Ni7 O43 P W9 -","- C23 H60 N10 Ni7 O44 P W9 -","- C92 H240 N40 Ni28 O176 P4 W36 -","4","1","","Wang, Sa-Sa; Yang, Wen-Bin; Yang, Mingxue; Wu, Xiao-Yuan; Wu, Weiming; Wang, Song-Xia; Lin, Lang; Lu, Can-Zhong","A bi-polyoxometallate-based host-guest metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","16","2503","2506","10.1039/c9cc09008h","","x-ray","0.71073","MoKα","","0.044","0.0376","","","0.0764","0.0793","","","","","","1.014","","","","has coordinates,has disorder","248822","2020-10-21","18:00:00",""
"7125854","13.5091","0.0002","14.2789","0.0002","36.111","0.0006","90","","90","","90","","6965.63","0.18","100","0.11","100","0.11","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H60 N10 Ni7 O45 P W9 -","- C23 H60 N10 Ni7 O45 P W9 -","- C92 H240 N40 Ni28 O180 P4 W36 -","4","1","","Wang, Sa-Sa; Yang, Wen-Bin; Yang, Mingxue; Wu, Xiao-Yuan; Wu, Weiming; Wang, Song-Xia; Lin, Lang; Lu, Can-Zhong","A bi-polyoxometallate-based host-guest metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","16","2503","2506","10.1039/c9cc09008h","","x-ray","0.71073","MoKα","","0.0387","0.0372","","","0.0913","0.0924","","","","","","1.042","","","","has coordinates,has disorder","248822","2020-10-21","18:00:00",""
"7125855","7.7407","0.0003","9.4632","0.0004","13.1078","0.0005","74.013","0.003","80.178","0.003","67.671","0.004","851.47","0.06","99.97","0.1","99.97","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 F5 Si2 -","- C16 H17 F5 Si2 -","- C32 H34 F10 Si4 -","2","1","","Linnemannstöns, Marvin; Schwabedissen, Jan; Schultz, Aaron A.; Neumann, Beate; Stammler, Hans-Georg; Berger, Raphael J. F.; Mitzel, Norbert W.","London dispersion-driven hetero-aryl-aryl interactions in 1,2-diaryldisilanes.","Chemical communications (Cambridge, England)","2020","56","15","2252","2255","10.1039/c9cc09851h","","x-ray","1.54184","CuKα","","0.0279","0.0265","","","0.0756","0.0767","","","","","","1.038","","","","has coordinates","248842","2020-10-21","18:00:00",""
"7125856","7.4433","0.0004","15.7582","0.0009","18.0844","0.0012","89.433","0.005","81.593","0.005","80.33","0.005","2068.3","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl5 F5 Si2 -","- C16 H12 Cl5 F5 Si2 -","- C64 H48 Cl20 F20 Si8 -","4","2","","Linnemannstöns, Marvin; Schwabedissen, Jan; Schultz, Aaron A.; Neumann, Beate; Stammler, Hans-Georg; Berger, Raphael J. F.; Mitzel, Norbert W.","London dispersion-driven hetero-aryl-aryl interactions in 1,2-diaryldisilanes.","Chemical communications (Cambridge, England)","2020","56","15","2252","2255","10.1039/c9cc09851h","","x-ray","0.71073","MoKα","","0.0358","0.0293","","","0.0715","0.0736","","","","","","1.053","","","","has coordinates","248842","2020-10-21","18:00:00",""
"7125857","9.0639","0.0003","9.3355","0.0003","13.4071","0.0004","94.436","0.002","104.175","0.003","113.509","0.003","988.88","0.06","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 Cl5 Si2 -","- C16 H17 Cl5 Si2 -","- C32 H34 Cl10 Si4 -","2","1","","Linnemannstöns, Marvin; Schwabedissen, Jan; Schultz, Aaron A.; Neumann, Beate; Stammler, Hans-Georg; Berger, Raphael J. F.; Mitzel, Norbert W.","London dispersion-driven hetero-aryl-aryl interactions in 1,2-diaryldisilanes.","Chemical communications (Cambridge, England)","2020","56","15","2252","2255","10.1039/c9cc09851h","","x-ray","0.71073","MoKα","","0.0428","0.0323","","","0.0746","0.0797","","","","","","1.021","","","","has coordinates,has disorder","248842","2020-10-21","18:00:00",""
"7125858","7.5524","0.0004","14.9892","0.0006","18.806","0.0009","90","","101.387","0.004","90","","2087.02","0.17","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl5 F5 Si2 -","- C16 H12 Cl5 F5 Si2 -","- C64 H48 Cl20 F20 Si8 -","4","1","","Linnemannstöns, Marvin; Schwabedissen, Jan; Schultz, Aaron A.; Neumann, Beate; Stammler, Hans-Georg; Berger, Raphael J. F.; Mitzel, Norbert W.","London dispersion-driven hetero-aryl-aryl interactions in 1,2-diaryldisilanes.","Chemical communications (Cambridge, England)","2020","56","15","2252","2255","10.1039/c9cc09851h","","x-ray","1.54184","CuKα","","0.0423","0.0375","","","0.1005","0.1051","","","","","","1.041","","","","has coordinates","248842","2020-10-21","18:00:00",""
"7125859","7.461","0.0002","19.0631","0.0005","14.6867","0.0003","90","","91.567","0.002","90","","2088.11","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl5 F5 Si2 -","- C16 H12 Cl5 F5 Si2 -","- C64 H48 Cl20 F20 Si8 -","4","1","","Linnemannstöns, Marvin; Schwabedissen, Jan; Schultz, Aaron A.; Neumann, Beate; Stammler, Hans-Georg; Berger, Raphael J. F.; Mitzel, Norbert W.","London dispersion-driven hetero-aryl-aryl interactions in 1,2-diaryldisilanes.","Chemical communications (Cambridge, England)","2020","56","15","2252","2255","10.1039/c9cc09851h","","x-ray","0.71073","MoKα","","0.0606","0.0395","","","0.0898","0.1004","","","","","","1.046","","","","has coordinates","248842","2020-10-21","18:00:00",""
"7125860","47.989","0.01","47.989","0.01","13.297","0.003","90","","90","","120","","26520","10","150","2","150","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C87 H39 N3 Ni3 O39 Tb3 -","- C87 H39 N3 Ni3 O39 Tb3 -","- C522 H234 N18 Ni18 O234 Tb18 -","6","0.166667","","Chen, Hongtai; Zhuang, Gui-Lin; Fan, Liming; Zhang, Xiutang; Gao, Lin-Na; Sun, Di","A highly robust heterometallic Tb<sup>III</sup>/Ni<sup>II</sup>-organic framework for C<sub>2</sub> hydrocarbon separation and capture.","Chemical communications (Cambridge, England)","2020","56","13","2047","2050","10.1039/c9cc09425c","","","0.71073","MoKα","","0.1359","0.0781","","","0.2292","0.2856","","","","","","1.002","","","","has coordinates,has disorder","248825","2020-10-21","18:00:00",""
"7125861","16.6224","0.0003","11.4096","0.0003","12.9021","0.0003","90","","97.1063","0.0019","90","","2428.15","0.1","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2:1 cyanuric triazide/benzotrifuroxan cocrystal","","- C6 N15 O3 -","- C6 N15 O3 -","- C48 N120 O24 -","8","1","","Foroughi, Leila M.; Wiscons, Ren A.; Du Bois, Derek R.; Matzger, Adam J.","Improving stability of the metal-free primary energetic cyanuric triazide (CTA) through cocrystallization.","Chemical communications (Cambridge, England)","2020","56","14","2111","2114","10.1039/c9cc09465b","","x-ray","1.54184","CuKα","","0.0303","0.0272","","","0.0703","0.0721","","","","","","1.108","","","","has coordinates,has disorder","248837","2020-10-21","18:00:00",""
"7125862","17.0625","0.0014","11.4704","0.0011","13.02","0.001","90","","97.727","0.008","90","","2525.1","0.4","298.4","0.4","298.4","0.4","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,4,6-triazido-1,3,5-triazine benzenetrifuroxan","","- C6 N15 O3 -","- C6 N15 O3 -","- C48 N120 O24 -","8","1","","Foroughi, Leila M.; Wiscons, Ren A.; Du Bois, Derek R.; Matzger, Adam J.","Improving stability of the metal-free primary energetic cyanuric triazide (CTA) through cocrystallization.","Chemical communications (Cambridge, England)","2020","56","14","2111","2114","10.1039/c9cc09465b","","x-ray","1.54184","CuKα","","0.116","0.0793","","","0.2299","0.2685","","","","","","1.025","","","","has coordinates,has disorder","248837","2020-10-21","18:00:00",""
"7125863","14.3043","0.0011","9.7587","0.0007","12.3878","0.0007","90","","105.846","0.007","90","","1663.5","0.2","295.9","0.2","295.9","0.2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Deng, Xiong-Fei; Wang, Ying-Wei; Zhang, Shi-Qi; Li, Ling; Li, Guang-Xun; Zhao, Gang; Tang, Zhuo","An organocatalytic asymmetric Friedel-Crafts reaction of 2-substituted indoles with aldehydes: enantioselective synthesis of α-hydroxyl ketones by low loading of chiral phosphoric acid.","Chemical communications (Cambridge, England)","2020","56","16","2499","2502","10.1039/c9cc09637j","","x-ray","1.54184","CuKα","","0.096","0.0933","","","0.2933","0.2996","","","","","","1.372","","","","has coordinates","248816","2020-10-21","18:00:00",""
"7125864","20.4932","0.0017","25.8736","0.0011","9.652","0.0004","90","","99.109","0.006","90","","5053.3","0.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H38 N6 O4 Zn2 -","- C42 H38 N6 O4 Zn2 -","- C168 H152 N24 O16 Zn8 -","4","1","","Ma, Xue; Zhang, Yanhao; Gao, Yu; Li, Xinglin; Wang, Cuijie; Yuan, Hang; Yu, Ajuan; Zhang, Shusheng; Cui, Yuanyuan","Revelation of the chiral recognition of alanine and leucine in an l-phenylalanine-based metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","7","1034","1037","10.1039/c9cc05912a","","","0.71073","MoKα","","0.0869","0.0539","","","0.1599","0.1808","","","","","","1.086","","","","has coordinates,has disorder","247171","2020-10-21","18:00:00",""
"7125865","12.777","0.008","5.986","0.003","17.896","0.007","90","","93.909","0.015","90","","1365.6","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 3-(1-oxo-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)propanoate","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Satyam, Killari; Harish, Battu; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","N-Heterocyclic carbene (NHC)-catalyzed tandem imine umpolung-aza-Michael addition-oxidation of β-carboline cyclic imines.","Chemical communications (Cambridge, England)","2020","56","18","2803","2806","10.1039/d0cc00321b","","","0.71073","MoKα","","0.0603","0.0493","","","0.1343","0.1429","","","","","","1.059","","","","has coordinates,has disorder","248846","2020-10-21","18:00:00",""
"7125866","10.613","0.007","23.82","0.014","19.202","0.014","90","","105.61","0.013","90","","4675","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cl2 O5 -","- C26 H18 Cl2 O5 -","- C208 H144 Cl16 O40 -","8","2","","Feng, Shumin; Gong, Shengyi; Feng, Guoqiang","Aggregation-induced emission and solid fluorescence of fluorescein derivatives.","Chemical communications (Cambridge, England)","2020","56","16","2511","2513","10.1039/c9cc09784h","","","0.71073","MoKα","","0.1807","0.1472","","","0.3353","0.3592","","","","","","1.075","","","","has coordinates,has disorder","248817","2020-10-21","18:00:00",""
"7125867","8.5365","0.0019","10.915","0.002","18.183","0.004","90","","90","","90","","1694.2","0.6","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H16 O5 -","- C22 H16 O5 -","- C88 H64 O20 -","4","1","","Feng, Shumin; Gong, Shengyi; Feng, Guoqiang","Aggregation-induced emission and solid fluorescence of fluorescein derivatives.","Chemical communications (Cambridge, England)","2020","56","16","2511","2513","10.1039/c9cc09784h","","","0.71073","MoKα","","0.0491","0.0354","","","0.0852","0.0942","","","","","","1.014","","","","has coordinates","248817","2020-10-21","18:00:00",""
"7125868","13.6086","0.0006","12.8562","0.0006","11.7791","0.0006","90","","97.382","0.002","90","","2043.73","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 S8 -","- C18 H12 N2 S8 -","- C72 H48 N8 S32 -","4","1","","Bechu, Damien; Xie, Lilia S.; Le Breton, Nolwenn; Choua, Sylvie; Dincă, Mircea; Hosseini, Mir Wais; Baudron, Stéphane A","Interdigitated conducting tetrathiafulvalene-based coordination networks.","Chemical communications (Cambridge, England)","2020","56","16","2407","2410","10.1039/c9cc09960c","","","0.71073","MoKα","","0.0424","0.0309","","","0.072","0.079","","","","","","1.02","","","","has coordinates","248818","2020-10-21","18:00:00",""
"7125869","36.701","0.004","9.6026","0.0009","20.217","0.0019","90","","121.187","0.002","90","","6095.3","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H27 Cl9 Fe N6 S18 -","- C41 H27 Cl9 Fe N6 S18 -","- C164 H108 Cl36 Fe4 N24 S72 -","4","0.5","","Bechu, Damien; Xie, Lilia S.; Le Breton, Nolwenn; Choua, Sylvie; Dincă, Mircea; Hosseini, Mir Wais; Baudron, Stéphane A","Interdigitated conducting tetrathiafulvalene-based coordination networks.","Chemical communications (Cambridge, England)","2020","56","16","2407","2410","10.1039/c9cc09960c","","","0.71073","MoKα","","0.1056","0.0605","","","0.1391","0.161","","","","","","1.032","","","","has coordinates,has disorder","248818","2020-10-21","18:00:00",""
"7125870","36.6636","0.0017","9.568","0.0005","20.1665","0.0013","90","","121.372","0.004","90","","6040.1","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H27 Cl9 Co N6 S18 -","- C41 H27 Cl9 Co N6 S18 -","- C164 H108 Cl36 Co4 N24 S72 -","4","0.5","","Bechu, Damien; Xie, Lilia S.; Le Breton, Nolwenn; Choua, Sylvie; Dincă, Mircea; Hosseini, Mir Wais; Baudron, Stéphane A","Interdigitated conducting tetrathiafulvalene-based coordination networks.","Chemical communications (Cambridge, England)","2020","56","16","2407","2410","10.1039/c9cc09960c","","","0.71073","MoKα","","0.0698","0.0604","","","0.1663","0.1762","","","","","","1.064","","","","has coordinates,has disorder","248818","2020-10-21","18:00:00",""
"7125871","14.5594","0.0006","12.0737","0.0005","18.6579","0.0008","90","","103.921","0.004","90","","3183.5","0.2","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O2 S -","- C18 H17 N O2 S -","- C144 H136 N8 O16 S8 -","8","2","","Qian, Lei-Lei; Min, Xiang-Ting; Hu, Yan-Cheng; Shen, Bing-Xue; Yang, Sa-Na; Wan, Boshun; Chen, Qing-An","Ruthenium(ii)-catalyzed intermolecular annulation of alkenyl sulfonamides with alkynes: access to bicyclic sultams.","Chemical communications (Cambridge, England)","2020","56","17","2614","2617","10.1039/d0cc00093k","","","0.71073","MoKα","","0.0561","0.0427","","","0.11","0.1219","","","","","","1.009","","","","has coordinates","248809","2020-10-21","18:00:00",""
"7125872","12.7146","0.0006","15.4589","0.0007","16.874","0.0008","90.091","0.002","111.105","0.002","99.087","0.002","3049.2","0.3","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H38 Cl2 N6 O7 Pt -","- C22 H38 Cl2 N6 O7 Pt -","- C88 H152 Cl8 N24 O28 Pt4 -","4","2","","Shu, Liwei; Ren, Lulu; Wang, Yuchen; Fang, Tao; Ye, Zhijian; Han, Weidong; Chen, Chao; Wang, Hangxiang","Niacin-ligated platinum(iv)-ruthenium(ii) chimeric complexes synergistically suppress tumor metastasis and growth with potentially reduced toxicity in vivo.","Chemical communications (Cambridge, England)","2020","56","20","3069","3072","10.1039/c9cc09016a","","","0.71073","MoKα","","0.0244","0.0212","","","0.051","0.0528","","","","","","1.047","","","","has coordinates,has disorder","250189","2020-10-21","18:00:00",""
"7125873","24.294","0.0002","18.1452","0.0002","22.5707","0.0002","90","","105.538","0.001","90","","9585.98","0.16","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Dy3 O22 -","- C32 H33 Dy3 O21 -","- C256 H264 Dy24 O168 -","8","1","","Zhong, Li; Chen, Wen-Bin; OuYang, Zhi-Jian; Yang, Meng; Zhang, Yi-Quan; Gao, Song; Schulze, Michael; Wernsdorfer, Wolfgang; Dong, Wen","Unprecedented one-dimensional chain and two-dimensional network dysprosium(iii) single-molecule toroics with white-light emission.","Chemical communications (Cambridge, England)","2020","56","17","2590","2593","10.1039/c9cc08852k","","x-ray","1.54184","CuKα","","0.0583","0.0528","","","0.1514","0.1551","","","","","","1.122","","","","has coordinates","248807","2020-10-21","18:00:00",""
"7125874","15.0529","0.0005","16.5502","0.0005","19.5506","0.0005","66.985","0.003","74.839","0.003","78.055","0.003","4296.7","0.2","100","0.11","100","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C48 H56 Dy6 O36 -","- C48 H56 Dy6 O36 -","- C96 H112 Dy12 O72 -","2","1","","Zhong, Li; Chen, Wen-Bin; OuYang, Zhi-Jian; Yang, Meng; Zhang, Yi-Quan; Gao, Song; Schulze, Michael; Wernsdorfer, Wolfgang; Dong, Wen","Unprecedented one-dimensional chain and two-dimensional network dysprosium(iii) single-molecule toroics with white-light emission.","Chemical communications (Cambridge, England)","2020","56","17","2590","2593","10.1039/c9cc08852k","","x-ray","1.54184","CuKα","","0.1256","0.0962","","","0.2565","0.2846","","","","","","0.995","","","","has coordinates","248807","2020-10-21","18:00:00",""
"7125875","14.0335","0.0007","19.5712","0.0008","18.2778","0.0009","90","","100.406","0.005","90","","4937.5","0.4","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H81 N5 O6 -","- C47 H81 N5 O6 -","- C188 H324 N20 O24 -","4","1","","Turner, Nicholas A.; Freeman, Matthew B.; Pratt, Harry D.; Crockett, Austin E.; Jones, Daniel S.; Anstey, Mitchell R.; Anderson, Travis M.; Bejger, Christopher M.","Desymmetrized hexasubstituted [3]radialene anions as aqueous organic catholytes for redox flow batteries.","Chemical communications (Cambridge, England)","2020","56","18","2739","2742","10.1039/c9cc08547e","","x-ray","0.71073","MoKα","","0.0929","0.057","","","0.1225","0.1431","","","","","","1.017","","","","has coordinates,has disorder","248850","2020-10-21","18:00:00",""
"7125876","19.7559","0.0003","12.4952","0.0002","38.3843","0.0008","90","","93.145","0.002","90","","9461","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H78 N6 O4 -","- C46 H78 N6 O4 -","- C368 H624 N48 O32 -","8","2","","Turner, Nicholas A.; Freeman, Matthew B.; Pratt, Harry D.; Crockett, Austin E.; Jones, Daniel S.; Anstey, Mitchell R.; Anderson, Travis M.; Bejger, Christopher M.","Desymmetrized hexasubstituted [3]radialene anions as aqueous organic catholytes for redox flow batteries.","Chemical communications (Cambridge, England)","2020","56","18","2739","2742","10.1039/c9cc08547e","","x-ray","1.54184","CuKα","","0.1204","0.0942","","","0.2573","0.2878","","","","","","1.033","","","","has coordinates,has disorder","248850","2020-10-21","18:00:00",""
"7125877","9.314","0.0004","21.8053","0.0013","9.5831","0.0005","90","","94.306","0.004","90","","1940.78","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H16 Cl N3 O4 -","- C21 H16 Cl N3 O4 -","- C84 H64 Cl4 N12 O16 -","4","2","","Ge, Zhen-Zhen; Yang, Lei; You, Yong; Wang, Zhen-Hua; Xie, Ke-Xin; Zhou, Ming-Qiang; Zhao, Jian-Qiang; Yuan, Wei-Cheng","Asymmetric dearomatization of 2-nitrobenzofurans by organocatalyzed one-step Michael addition to access 3,3'-disubstituted oxindoles.","Chemical communications (Cambridge, England)","2020","56","17","2586","2589","10.1039/c9cc09939e","","x-ray","1.54184","CuKα","","0.0508","0.0448","","","0.113","0.1204","","","","","","1.032","","","","has coordinates","248810","2020-10-21","18:00:00",""
"7125878","26.6947","0.0001","26.6947","0.0001","50.0946","0.0003","90","","90","","90","","35697.8","0.3","100","","100","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","chiral Ag18S","Ag18(μ8-S)(p-TBBT)16(PPh3)8","","- C349.68 H478.7 Ag18 O29.68 P8 S17 -","- C320 H360 Ag18 P8 S17 -","- C1280 H1440 Ag72 P32 S68 -","4","0.25","","Tian, Fan; Chen, Rong","Ag<sub>18</sub>(μ<sub>8</sub>-S)(p-TBBT)<sub>16</sub>(PPh<sub>3</sub>)<sub>8</sub>: symmetry breaking induced by the core to generate chirality.","Chemical communications (Cambridge, England)","2020","56","18","2719","2722","10.1039/c9cc10045h","","","1.54184","CuKα","","0.0623","0.0552","","","0.1533","0.1599","","","","","","1.044","","","","has coordinates,has disorder","248848","2020-10-21","18:00:00",""
"7125879","6.5347","0.0003","11.4519","0.0005","14.2937","0.0006","112.503","0.004","95.468","0.004","100.753","0.003","954.35","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N3 O2 -","- C21 H22 N3 O2 -","- C42 H44 N6 O4 -","2","1","","Zhuang, Jiabao; Yang, Hanxiao; Li, Yue; Wang, Bing; Li, Nan; Zhao, Na","Efficient photosensitizers with aggregation-induced emission characteristics for lysosome- and Gram-positive bacteria-targeted photodynamic therapy.","Chemical communications (Cambridge, England)","2020","56","17","2630","2633","10.1039/d0cc00394h","","x-ray","1.54184","CuKα","","0.0547","0.0469","","","0.1338","0.1434","","","","","","1.047","","","","has coordinates","248812","2020-10-21","18:00:00",""
"7125880","40.8647","0.0013","28.7021","0.0009","26.5738","0.0009","90","","129.6","0.001","90","","24015.7","1.4","120","2","119.96","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C206 H299 N33 O21 P2 -","- C191 H261 N32 O20.9438 P2 -","- C764 H1044 N128 O83.7752 P8 -","4","1","","Fu, Jin; Zheng, Bo; Zhang, Huizheng; Zhao, Yanxia; Zhang, Dan; Zhang, Wenyao; Yang, Xiao-Juan; Wu, Biao","Chirality transcription in the anion-coordination-driven assembly of tetrahedral cages.","Chemical communications (Cambridge, England)","2020","56","16","2475","2478","10.1039/c9cc09752j","","","1.54178","CuKα","","0.104","0.0958","","","0.2211","0.2269","","","","","","1.064","","","","has coordinates,has disorder","248819","2020-10-21","18:00:00",""
"7125881","40.912","0.005","28.685","0.005","26.497","0.005","90","","129.742","0.012","90","","23911","8","120","2","119.99","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C204 H294 N32 O20 P2 -","- C188.46 H256.38 N31 O20 P2 -","- C753.84 H1025.52 N124 O80 P8 -","4","1","","Fu, Jin; Zheng, Bo; Zhang, Huizheng; Zhao, Yanxia; Zhang, Dan; Zhang, Wenyao; Yang, Xiao-Juan; Wu, Biao","Chirality transcription in the anion-coordination-driven assembly of tetrahedral cages.","Chemical communications (Cambridge, England)","2020","56","16","2475","2478","10.1039/c9cc09752j","","","1.54178","CuKα","","0.106","0.0923","","","0.207","0.2127","","","","","","1.072","","","","has coordinates,has disorder","248819","2020-10-21","18:00:00",""
"7125882","25.958","0.003","25.958","0.003","28.548","0.008","90","","90","","90","","19236","6","158","2","158.01","","","","","","","","","5","P -4 2 c","P -4 2c","112","","","","- C87 H117 N16 O10 P -","- C87 H117 N16 O10 P -","- C696 H936 N128 O80 P8 -","8","1","","Fu, Jin; Zheng, Bo; Zhang, Huizheng; Zhao, Yanxia; Zhang, Dan; Zhang, Wenyao; Yang, Xiao-Juan; Wu, Biao","Chirality transcription in the anion-coordination-driven assembly of tetrahedral cages.","Chemical communications (Cambridge, England)","2020","56","16","2475","2478","10.1039/c9cc09752j","","","1.54178","CuKα","","0.068","0.0674","","","0.1941","0.1955","","","","","","1.031","","","","has coordinates","248819","2020-10-21","18:00:00",""
"7125883","10.712","0.001","26.2639","0.0017","9.6385","0.0009","90","","114.352","0.011","90","","2470.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 N3 -","- C33 H25 N3 -","- C132 H100 N12 -","4","1","","Liang, Taoyuan; Gong, Lingzhen; Zhao, He; Jiang, Huanfeng; Zhang, Min","Straightforward access to novel indolo[2,3-b]indoles via aerobic copper-catalyzed [3+2] annulation of diarylamines and indoles.","Chemical communications (Cambridge, England)","2020","56","18","2807","2810","10.1039/d0cc00178c","","","0.71073","MoKα","","0.0923","0.0596","","","0.1387","0.1594","","","","","","1.013","","","","has coordinates","248847","2020-10-21","18:00:00",""
"7125884","9.529","0.0019","23.743","0.005","18.276","0.004","90","","96.35","0.03","90","","4109.5","1.5","100","2","100","2","","","","","","","Synthesis","5","P 1 21 1","P 2yb","4","","","","- C70 H111 F3 N10 O24 -","- C70.3 H95.1 F2.1 N10 O22.3 -","- C140.6 H190.2 F4.2 N20 O44.6 -","2","1","","Cringoli, Maria Cristina; Romano, Chiara; Parisi, Evelina; Waddington, Lynne J.; Melchionna, Michele; Semeraro, Sabrina; De Zorzi, Rita; Grönholm, Mikaela; Marchesan, Silvia","Bioadhesive supramolecular hydrogel from unprotected, short d,l-peptides with Phe-Phe and Leu-Asp-Val motifs.","Chemical communications (Cambridge, England)","2020","56","20","3015","3018","10.1039/c9cc09947f","","x-ray","0.7","Synchrotron","","0.1155","0.0939","","","0.256","0.2819","","","","","","0.971","","","","has coordinates","250190","2020-10-21","18:00:00",""
"7125885","20.9232","0.001","22.2447","0.001","36.0709","0.0018","90","","104.29","0.002","90","","16269","1.3","275","2","275","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C120 H175 Eu2 F18 N21 O36 Pt2 S6 -","- C90 H116 Eu2 F6 N16 O20 Pt2 S2 -","- C360 H464 Eu8 F24 N64 O80 Pt8 S8 -","4","0.5","","Zhu, Qiang-Yu; Zhou, Li-Peng; Cai, Li-Xuan; Li, Xiao-Zhen; Zhou, Jin; Sun, Qing-Fu","Chiral auxiliary and induced chiroptical sensing with 5d/4f lanthanide-organic macrocycles.","Chemical communications (Cambridge, England)","2020","56","19","2861","2864","10.1039/c9cc09733c","","","0.71073","MoKα","","0.0601","0.0389","","","0.1189","0.1341","","","","","","1.083","","","","has coordinates,has disorder","250178","2020-10-21","18:00:00",""
"7125886","13.8397","0.0009","16.9264","0.0009","21.3207","0.0012","68.595","0.002","81.719","0.002","77.817","0.002","4532.9","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C174 H213 Eu2 F18 N29 O35 Pt2 S6 -","- C144 H148 Eu2 F18 N24 O30 Pt2 S6 -","- C144 H148 Eu2 F18 N24 O30 Pt2 S6 -","1","0.5","","Zhu, Qiang-Yu; Zhou, Li-Peng; Cai, Li-Xuan; Li, Xiao-Zhen; Zhou, Jin; Sun, Qing-Fu","Chiral auxiliary and induced chiroptical sensing with 5d/4f lanthanide-organic macrocycles.","Chemical communications (Cambridge, England)","2020","56","19","2861","2864","10.1039/c9cc09733c","","","0.71073","MoKα","","0.1076","0.061","","","0.1534","0.1806","","","","","","1.022","","","","has coordinates","250178","2020-10-21","18:00:00",""
"7125887","51.495","0.0014","51.495","0.0014","48.469","0.003","90","","90","","120","","111308","8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C922 H1222 N150 O268 Zn24 -","- C720 H504 N96 O144 Zn24 -","- C2160 H1512 N288 O432 Zn72 -","3","0.166667","","Pei, Wen-Yuan; Yang, Jin; Wu, Hui; Zhou, Wei; Yang, Ying-Wei; Ma, Jian-Fang","A calix[4]resorcinarene-based giant coordination cage: controlled assembly and iodine uptake.","Chemical communications (Cambridge, England)","2020","56","16","2491","2494","10.1039/d0cc00157k","","","0.71073","MoKα","","0.2286","0.1049","","","0.3039","0.3981","","","","","","1.077","","","","has coordinates,has disorder","248815","2020-10-21","18:00:00",""
"7125888","8.4228","0.0002","9.8609","0.0003","10.1038","0.0004","65.09","0.001","72.958","0.002","85.464","0.002","726.74","0.04","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Al2 F10 N2 -","- C30 H30 Al2 F10 N2 -","- C30 H30 Al2 F10 N2 -","1","0.5","","Kysliak, Oleksandr; Görls, Helmar; Kretschmer, Robert","C-F bond activation by pentamethylcyclopentadienyl-aluminium(i): a combined experimental/computational exercise.","Chemical communications (Cambridge, England)","2020","56","57","7865","7868","10.1039/d0cc00003e","","","0.71073","MoKα","","0.039","0.0355","","","0.0858","0.0888","","","","","","1.064","","","","has coordinates","254884","2020-10-21","18:00:00",""
"7125889","9.1602","0.0002","21.937","0.0007","14.8657","0.0005","90","","97.288","0.002","90","","2963.09","0.15","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Al2 F10 -","- C32 H32 Al2 F10 -","- C128 H128 Al8 F40 -","4","1","","Kysliak, Oleksandr; Görls, Helmar; Kretschmer, Robert","C-F bond activation by pentamethylcyclopentadienyl-aluminium(i): a combined experimental/computational exercise.","Chemical communications (Cambridge, England)","2020","56","57","7865","7868","10.1039/d0cc00003e","","","0.71073","MoKα","","0.1261","0.0764","","","0.1271","0.1414","","","","","","1.063","","","","has coordinates","254884","2020-10-21","18:00:00",""
"7125890","9.1825","0.0004","10.793","0.0005","14.8825","0.0007","90","","99.315","0.003","90","","1455.51","0.12","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Al2 F8 -","- C32 H34 Al2 F8 -","- C64 H68 Al4 F16 -","2","0.5","","Kysliak, Oleksandr; Görls, Helmar; Kretschmer, Robert","C-F bond activation by pentamethylcyclopentadienyl-aluminium(i): a combined experimental/computational exercise.","Chemical communications (Cambridge, England)","2020","56","57","7865","7868","10.1039/d0cc00003e","","","0.71073","MoKα","","0.0699","0.0582","","","0.1262","0.1332","","","","","","1.089","","","","has coordinates,has disorder","254884","2020-10-21","18:00:00",""
"7125891","17.0235","0.0004","10.2649","0.0002","17.33","0.0004","90","","94.82","0.001","90","","3017.61","0.12","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Al2 F12 -","- C32 H30 Al2 F12 -","- C128 H120 Al8 F48 -","4","0.5","","Kysliak, Oleksandr; Görls, Helmar; Kretschmer, Robert","C-F bond activation by pentamethylcyclopentadienyl-aluminium(i): a combined experimental/computational exercise.","Chemical communications (Cambridge, England)","2020","56","57","7865","7868","10.1039/d0cc00003e","","","0.71073","MoKα","","0.0602","0.0468","","","0.0956","0.1025","","","","","","1.067","","","","has coordinates","254884","2020-10-21","18:00:00",""
"7125892","8.4379","0.0002","9.9671","0.0003","11.3803","0.0003","115.809","0.001","98.981","0.002","92.895","0.001","843.48","0.04","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H30 Al2 F16 -","- C34 H30 Al2 F16 -","- C34 H30 Al2 F16 -","1","0.5","","Kysliak, Oleksandr; Görls, Helmar; Kretschmer, Robert","C-F bond activation by pentamethylcyclopentadienyl-aluminium(i): a combined experimental/computational exercise.","Chemical communications (Cambridge, England)","2020","56","57","7865","7868","10.1039/d0cc00003e","","","0.71073","MoKα","","0.0465","0.0393","","","0.0931","0.0978","","","","","","1.037","","","","has coordinates,has disorder","254884","2020-10-21","18:00:00",""
"7125893","10.489","0.003","11.331","0.003","11.564","0.003","90.053","0.004","107.913","0.005","103.473","0.004","1267.9","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 N4 O9 Pb2 -","- C22 H14 N4 O9 Pb2 -","- C44 H28 N8 O18 Pb4 -","2","1","","Liu, Jiao; Yang, Guo-Ping; Jin, Jing; Wu, Dan; Ma, Lu-Fang; Wang, Yao-Yu","A first new porous d-p HMOF material with multiple active sites for excellent CO<sub>2</sub> capture and catalysis.","Chemical communications (Cambridge, England)","2020","56","16","2395","2398","10.1039/c9cc09664g","","","0.71073","MoKα","","0.087","0.0749","","","0.257","0.2931","","","","","","0.968","","","","has coordinates","248821","2020-10-21","18:00:00",""
"7125894","10.1986","0.0004","12.074","0.0005","13.1106","0.0006","112.525","0.001","91.216","0.001","95.011","0.001","1482.93","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H14 N4 O9 Pb Zn -","- C22 H14 N4 O9 Pb Zn -","- C44 H28 N8 O18 Pb2 Zn2 -","2","1","","Liu, Jiao; Yang, Guo-Ping; Jin, Jing; Wu, Dan; Ma, Lu-Fang; Wang, Yao-Yu","A first new porous d-p HMOF material with multiple active sites for excellent CO<sub>2</sub> capture and catalysis.","Chemical communications (Cambridge, England)","2020","56","16","2395","2398","10.1039/c9cc09664g","","","0.71073","MoKα","","0.0217","0.0204","","","0.0656","0.0664","","","","","","1.026","","","","has coordinates","248821","2020-10-21","18:00:00",""
"7125895","4.73398","0.00009","5.65377","0.0001","38.3824","0.0007","85.1193","0.0008","85.3321","0.0008","83.3811","0.0009","1014.09","0.03","213.1","","213.1","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H34 Br N O2 -","- C20 H34 Br N O2 -","- C40 H68 Br2 N2 O4 -","2","1","","Marczenko, Katherine M.; Chitnis, Saurabh S.","Bismuthanylstibanes.","Chemical communications (Cambridge, England)","2020","56","58","8015","8018","10.1039/d0cc00254b","","","1.54187","CuKα","","","0.0416","","","","0.1102","","","","","","1.06","","","","has coordinates","254872","2020-10-21","18:00:00",""
"7125896","11.7148","0.001","24.8374","0.0017","17.6977","0.001","90","","98.486","0.002","90","","5093","0.6","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H75 Bi N4 Sb Si4 -","- C47 H75 Bi N4 Sb Si4 -","- C188 H300 Bi4 N16 Sb4 Si16 -","4","1","","Marczenko, Katherine M.; Chitnis, Saurabh S.","Bismuthanylstibanes.","Chemical communications (Cambridge, England)","2020","56","58","8015","8018","10.1039/d0cc00254b","","","1.54178","CuKα","","0.0602","0.059","","","0.1409","0.1414","","","","","","1.318","","","","has coordinates,has disorder","254872","2020-10-21","18:00:00",""
"7125897","20.7764","0.0008","9.9748","0.0004","42.2992","0.0015","90","","100.049","0.002","90","","8631.6","0.6","120","2","115","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H60 Bi N4 Sb Si4 -","- C38 H60 Bi N4 Sb Si4 -","- C304 H480 Bi8 N32 Sb8 Si32 -","8","1","","Marczenko, Katherine M.; Chitnis, Saurabh S.","Bismuthanylstibanes.","Chemical communications (Cambridge, England)","2020","56","58","8015","8018","10.1039/d0cc00254b","","","1.54178","CuKα","","0.0416","0.0334","","","0.0762","0.0809","","","","","","1.025","","","","has coordinates","254872","2020-10-21","18:00:00",""
"7125898","16.594","0.0006","12.7708","0.0004","21.9816","0.0008","90","","108.214","0.001","90","","4424.9","0.3","116","2","116","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H60 Bi N4 S Sb Si4 -","- C38 H60 Bi N4 S Sb Si4 -","- C152 H240 Bi4 N16 S4 Sb4 Si16 -","4","1","","Marczenko, Katherine M.; Chitnis, Saurabh S.","Bismuthanylstibanes.","Chemical communications (Cambridge, England)","2020","56","58","8015","8018","10.1039/d0cc00254b","","","1.54178","CuKα","","0.018","0.0178","","","0.0439","0.044","","","","","","1.128","","","","has coordinates","254872","2020-10-21","18:00:00",""
"7125899","10.5482","0.0004","12.2644","0.0005","19.2011","0.0008","90","","101.656","0.001","90","","2432.77","0.17","115","2","115","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H72 Bi N4 Sb Si4 -","- C44 H72 Bi N4 Sb Si4 -","- C88 H144 Bi2 N8 Sb2 Si8 -","2","0.5","","Marczenko, Katherine M.; Chitnis, Saurabh S.","Bismuthanylstibanes.","Chemical communications (Cambridge, England)","2020","56","58","8015","8018","10.1039/d0cc00254b","","","1.54178","CuKα","","0.035","0.035","","","0.0959","0.0959","","","","","","1.112","","","","has coordinates","254872","2020-10-21","18:00:00",""
"7125900","7.3643","0.0008","8.6863","0.001","22.636","0.003","90","","90","","90","","1448","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 F3 O4 -","- C15 H15 F3 O4 -","- C60 H60 F12 O16 -","4","1","","Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Construction of trifluoromethylated quaternary stereocenters via p-quinone methides.","Chemical communications (Cambridge, England)","2020","56","20","3031","3034","10.1039/c9cc08936e","","","0.71073","MoKα","","0.0747","0.0569","","","0.1294","0.1461","","","","","","1.073","","","","has coordinates","250191","2020-10-21","18:00:00",""
"7125901","8.6848","0.0003","9.8256","0.0003","13.1255","0.0005","84.786","0.003","88.888","0.003","89.989","0.003","1115.2","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 F3 O7 -","- C23 H25 F3 O7 -","- C46 H50 F6 O14 -","2","1","","Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Construction of trifluoromethylated quaternary stereocenters via p-quinone methides.","Chemical communications (Cambridge, England)","2020","56","20","3031","3034","10.1039/c9cc08936e","","","0.71073","MoKα","","0.061","0.0511","","","0.1197","0.1282","","","","","","0.959","","","","has coordinates","250191","2020-10-21","18:00:00",""
"7125902","9.34005","0.00017","9.81274","0.00018","26.8301","0.0019","90","","90","","90","","2459.02","0.19","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O6 S -","- C28 H27 N O6 S -","- C112 H108 N4 O24 S4 -","4","1","","Kondo, Masaru; Wathsala, H. D. P.; Sako, Makoto; Hanatani, Yutaro; Ishikawa, Kazunori; Hara, Satoshi; Takaai, Takayuki; Washio, Takashi; Takizawa, Shinobu; Sasai, Hiroaki","Exploration of flow reaction conditions using machine-learning for enantioselective organocatalyzed Rauhut-Currier and [3+2] annulation sequence.","Chemical communications (Cambridge, England)","2020","56","8","1259","1262","10.1039/c9cc08526b","","","1.54187","CuKα","","0.0393","0.0352","","","0.0809","0.0824","","","","","","1.041","","","","has coordinates","247544","2020-10-21","18:00:00",""
"7125903","10.1681","0.0004","11.5222","0.0004","15.4679","0.0006","105.32","0.001","90.967","0.002","100.049","0.002","1717.2","0.11","296","2","296","2","","","","","","","","5","P 1","P 1","1","EIT752","","","- C36 H44 Br N O5 -","- C36 H44 Br N O5 -","- C72 H88 Br2 N2 O10 -","2","2","","Eitzinger, Andreas; Winter, Michael; Schörgenhumer, Johannes; Waser, Mario","Quaternary β<sup>2,2</sup>-amino acid derivatives by asymmetric addition of isoxazolidin-5-ones to para-quinone methides.","Chemical communications (Cambridge, England)","2020","56","4","579","582","10.1039/c9cc09239k","","","0.71073","MoKα","","0.145","0.0652","","","0.1008","0.1234","","","","","","1.074","","","","has coordinates","247545","2020-10-21","18:00:00",""
"7125904","9.1974","0.0003","10.5189","0.0003","11.2152","0.0004","66.716","0.001","71.426","0.001","78.998","0.001","942.12","0.05","296","2","296","2","","","","","","","","4","P 1","P 1","1","EIT758","","","- C42 H49 N O5 -","- C42 H49 N O5 -","- C42 H49 N O5 -","1","1","","Eitzinger, Andreas; Winter, Michael; Schörgenhumer, Johannes; Waser, Mario","Quaternary β<sup>2,2</sup>-amino acid derivatives by asymmetric addition of isoxazolidin-5-ones to para-quinone methides.","Chemical communications (Cambridge, England)","2020","56","4","579","582","10.1039/c9cc09239k","","","0.71073","MoKα","","0.0842","0.0513","","","0.1159","0.1335","","","","","","1.047","","","","has coordinates","247545","2020-10-21","18:00:00",""
"7125905","17.2464","0.0006","7.0762","0.0002","28.17","0.001","90","","103.591","0.001","90","","3341.57","0.19","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C152 H208 O24 -","8","2","","Shi, Linlin; He, Yingdong; Gong, Jianxian; Yang, Zhen","Concise gram-scale synthesis of Euphorikanin A skeleton through a domino ring-closing metathesis strategy.","Chemical communications (Cambridge, England)","2020","56","4","531","534","10.1039/c9cc08830j","","x-ray","1.54178","CuKα","","0.0526","0.0513","","","0.1369","0.1384","","","","","","1.035","","","","has coordinates","247546","2020-10-21","18:00:00",""
"7125906","9.94998","0.00009","15.8783","0.00014","31.7019","0.0003","90","","90","","90","","5008.54","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C60 H57 N3 O6 -","- C60 H57 N3 O6 -","- C240 H228 N12 O24 -","4","1","","Lu, Fo-Yun; Chen, Yu-Jue; Chen, Yuan; Ding, Xuan; Guan, Zhi; He, Yan-Hong","Highly enantioselective electrosynthesis of C2-quaternary indolin-3-ones.","Chemical communications (Cambridge, England)","2020","56","4","623","626","10.1039/c9cc09178e","","","1.54184","CuKα","","0.041","0.038","","","0.0969","0.0996","","","","","","1.052","","","","has coordinates","247547","2020-10-21","18:00:00",""
"7125907","10.0005","0.0001","15.089","0.0001","23.6172","0.0002","90","","90","","90","","3563.78","0.05","278","30","278","30","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17.27 Cl N O2 -","- C20 H17.2735 Cl N O2 -","- C160 H138.188 Cl8 N8 O16 -","8","2","","Lu, Fo-Yun; Chen, Yu-Jue; Chen, Yuan; Ding, Xuan; Guan, Zhi; He, Yan-Hong","Highly enantioselective electrosynthesis of C2-quaternary indolin-3-ones.","Chemical communications (Cambridge, England)","2020","56","4","623","626","10.1039/c9cc09178e","","x-ray","1.54184","CuKα","","0.0395","0.0376","","","0.1011","0.1034","","","","","","1.05","","","","has coordinates,has disorder","247547","2020-10-21","18:00:00",""
"7125908","20.51","0.006","12.667","0.004","26.498","0.007","90","","108.671","0.004","90","","6522","3","153","2","153.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65.96 H95.17 Br0.76 Mg2 O12 -","- C65.968 H90.21 Br0.758 Mg2 O12 -","- C263.872 H360.84 Br3.032 Mg8 O48 -","4","0.5","","Shen, Lingyi; Zhao, Yanxia; Dai, Dihua; Yang, Ying-Wei; Wu, Biao; Yang, Xiao-Juan","Stabilization of Grignard reagents by a pillar[5]arene host - Schlenk equilibria and Grignard reactions.","Chemical communications (Cambridge, England)","2020","56","9","1381","1384","10.1039/c9cc08728a","","","0.71073","MoKα","","0.1399","0.0876","","","0.2462","0.2869","","","","","","1.044","","","","has coordinates,has disorder","247548","2020-10-21","18:00:00",""
"7125909","40.636","0.004","12.2639","0.001","36.165","0.003","90","","113.845","0.003","90","","16485","3","150","2","149.98","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C186 H228 O33 -","- C186 H198.874 O33 -","- C744 H795.496 O132 -","4","0.5","","Shen, Lingyi; Zhao, Yanxia; Dai, Dihua; Yang, Ying-Wei; Wu, Biao; Yang, Xiao-Juan","Stabilization of Grignard reagents by a pillar[5]arene host - Schlenk equilibria and Grignard reactions.","Chemical communications (Cambridge, England)","2020","56","9","1381","1384","10.1039/c9cc08728a","","","0.71073","MoKα","","0.1722","0.1147","","","0.3159","0.373","","","","","","1.13","","","","has coordinates,has disorder","247548","2020-10-21","18:00:00",""
"7125910","13.565","0.003","12.45","0.003","20.554","0.004","90","","107.915","0.003","90","","3302.9","1.3","153","2","153.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C67.57 H98.78 Br0.36 Mg2 O12 -","- C67.568 H95.494 Br0.358 Mg2 O12 -","- C135.136 H190.988 Br0.716 Mg4 O24 -","2","1","","Shen, Lingyi; Zhao, Yanxia; Dai, Dihua; Yang, Ying-Wei; Wu, Biao; Yang, Xiao-Juan","Stabilization of Grignard reagents by a pillar[5]arene host - Schlenk equilibria and Grignard reactions.","Chemical communications (Cambridge, England)","2020","56","9","1381","1384","10.1039/c9cc08728a","","","0.71073","MoKα","","0.0996","0.0768","","","0.2181","0.2354","","","","","","1.059","","","","has coordinates,has disorder","247548","2020-10-21","18:00:00",""
"7125911","11.959","0.008","13.536","0.009","22.775","0.013","75.943","0.017","88.27","0.02","73.195","0.016","3420","4","150","2","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C72.34 H107.54 Br0.14 Mg2 O12 -","- C72.335 H107.537 Br0.133 Mg2 O12 -","- C144.67 H215.074 Br0.266 Mg4 O24 -","2","1","","Shen, Lingyi; Zhao, Yanxia; Dai, Dihua; Yang, Ying-Wei; Wu, Biao; Yang, Xiao-Juan","Stabilization of Grignard reagents by a pillar[5]arene host - Schlenk equilibria and Grignard reactions.","Chemical communications (Cambridge, England)","2020","56","9","1381","1384","10.1039/c9cc08728a","","","0.71073","MoKα","","0.0815","0.0656","","","0.1697","0.1826","","","","","","1.037","","","","has coordinates,has disorder","247548","2020-10-21","18:00:00",""
"7125912","14.01","0.0007","17.806","0.0009","25.7096","0.0013","95.703","0.002","103.75","0.002","102.801","0.002","5996.2","0.5","150","2","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C251.55 H351.03 Br0.06 Mg4 O44 -","- C251.548 H351.031 Br0.0646 Mg4 O44 -","- C251.548 H351.031 Br0.0646 Mg4 O44 -","1","0.5","","Shen, Lingyi; Zhao, Yanxia; Dai, Dihua; Yang, Ying-Wei; Wu, Biao; Yang, Xiao-Juan","Stabilization of Grignard reagents by a pillar[5]arene host - Schlenk equilibria and Grignard reactions.","Chemical communications (Cambridge, England)","2020","56","9","1381","1384","10.1039/c9cc08728a","","","0.71073","MoKα","","0.1076","0.0772","","","0.2101","0.2366","","","","","","1.035","","","","has coordinates,has disorder","247548","2020-10-21","18:00:00",""
"7125913","13.392","0.004","21.18","0.006","23.936","0.007","90","","96.985","0.004","90","","6739","3","153","2","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C69 H101 Mg2 O12 -","- C69 H101 Mg2 O12 -","- C276 H404 Mg8 O48 -","4","1","","Shen, Lingyi; Zhao, Yanxia; Dai, Dihua; Yang, Ying-Wei; Wu, Biao; Yang, Xiao-Juan","Stabilization of Grignard reagents by a pillar[5]arene host - Schlenk equilibria and Grignard reactions.","Chemical communications (Cambridge, England)","2020","56","9","1381","1384","10.1039/c9cc08728a","","","0.71073","MoKα","","0.1677","0.0976","","","0.2524","0.3098","","","","","","1.029","","","","has coordinates,has disorder","247548","2020-10-21","18:00:00",""
"7125914","11.973","0.005","26.293","0.012","39.008","0.017","90","","97.456","0.012","90","","12176","9","158","2","158.58","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C122 H165 Br2 Mg2 O24 -","- C122 H157.224 Br2 Mg2 O24 -","- C488 H628.896 Br8 Mg8 O96 -","4","1","","Shen, Lingyi; Zhao, Yanxia; Dai, Dihua; Yang, Ying-Wei; Wu, Biao; Yang, Xiao-Juan","Stabilization of Grignard reagents by a pillar[5]arene host - Schlenk equilibria and Grignard reactions.","Chemical communications (Cambridge, England)","2020","56","9","1381","1384","10.1039/c9cc08728a","","","0.71073","MoKα","","0.1591","0.1035","","","0.2816","0.3414","","","","","","1.014","","","","has coordinates,has disorder","247548","2020-10-21","18:00:00",""
"7125915","11.3981","0.0007","11.3981","0.0007","11.3981","0.0007","90","","90","","90","","1480.8","0.16","100","","100","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C39 H0 Ce N11 O0 S7 -","- C38.9984 Ce N11.0016 S7.0016 -","- C38.9984 Ce N11.0016 S7.0016 -","1","0.0208333","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.056","0.056","","","0.159","0.159","","","","","","1.076","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125916","11.3929","0.0017","11.3929","0.0017","22.386","0.003","90","","90","","90","","2905.7","0.7","100","2","100","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C39 H0 Lu N11 O0 S7 -","- C39 Lu N11 S7 -","- C78 Lu2 N22 S14 -","2","0.0625","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0374","0.0374","","","0.1088","0.1088","","","","","","1.141","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125917","11.418","0.002","11.418","0.002","22.504","0.004","90","","90","","90","","2933.9","0.9","100","2","100","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C39 H0 Gd N11 O S7 -","- C39 Gd N11 O S7 -","- C78 Gd2 N22 O2 S14 -","2","0.0625","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0655","0.0647","","","0.1727","0.1738","","","","","","1.295","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125918","11.4242","0.0009","11.4242","0.0009","11.4242","0.0009","90","","90","","90","","1491","0.2","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C39 H0 N11 O0 Pr S7 -","- C38.9968 N11 Pr S7 -","- C38.9968 N11 Pr S7 -","1","0.0208333","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0514","0.0514","","","0.1448","0.1448","","","","","","1.022","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125919","11.3933","0.0006","11.3933","0.0006","22.4759","0.0012","90","","90","","90","","2917.5","0.3","293","2","293","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C39 H0 N11 O0 S7 Tb -","- C39 N11 S7 Tb -","- C78 N22 S14 Tb2 -","2","0.0625","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0469","0.0466","","","0.1344","0.1349","","","","","","1.043","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125920","11.3876","0.0005","11.3876","0.0005","22.5539","0.0011","90","","90","","90","","2924.7","0.2","100","2","100","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C39 H0 Eu N11 S7 -","- C39 Eu N11 S7 -","- C78 Eu2 N22 S14 -","2","0.0625","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0544","0.0533","","","0.1489","0.1513","","","","","","1.063","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125921","11.4263","0.0005","11.4263","0.0005","11.4263","0.0005","90","","90","","90","","1491.82","0.11","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C39 H0 La N11 O0 S7 -","- C38.9968 La N11 S7 -","- C38.9968 La N11 S7 -","1","0.0208333","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0533","0.0533","","","0.1469","0.1469","","","","","","1.148","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125922","11.3641","0.0018","11.3641","0.0018","11.3641","0.0018","90","","90","","90","","1467.6","0.4","100","2","100","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C39 Am N11 S7 -","- C38.9992 Am N11 S7 -","- C38.9992 Am N11 S7 -","1","0.0208333","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0446","0.0434","","","0.1121","0.1127","","","","","","1.087","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125923","11.3976","0.0004","11.3976","0.0004","11.3976","0.0004","90","","90","","90","","1480.61","0.09","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C39 H0 N11 Nd O0 S7 -","- C38.9968 N11 Nd S7 -","- C38.9968 N11 Nd S7 -","1","0.0208333","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0502","0.0502","","","0.1414","0.1414","","","","","","0.973","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125924","11.4039","0.0004","11.4039","0.0004","22.5714","0.0008","90","","90","","90","","2935.39","0.18","100","2","100","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C39 H0 Ho N11 O0 S7 -","- C39 Ho N11 S7 -","- C78 Ho2 N22 S14 -","2","0.0625","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0398","0.0398","","","0.1151","0.1151","","","","","","0.987","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125925","11.3875","0.001","11.3875","0.001","22.478","0.002","90","","90","","90","","2914.8","0.4","100","2","100","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C39 H0 N11 O0 S7 Tm -","- C39 N11 S7 Tm -","- C78 N22 S14 Tm2 -","2","0.0625","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0391","0.039","","","0.1132","0.1134","","","","","","1.042","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125926","11.4134","0.0006","11.4134","0.0006","22.6144","0.0011","90","","90","","90","","2945.9","0.3","100","2","100","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C39 H0 Dy N11 O0 S7 -","- C39 Dy N11 S7 -","- C78 Dy2 N22 S14 -","2","0.0625","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0393","0.0393","","","0.1132","0.1132","","","","","","1.036","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125927","11.4093","0.0006","11.4093","0.0006","22.577","0.0011","90","","90","","90","","2938.9","0.3","100","2","100","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C39 H0 Er N11 O0 S7 -","- C39 Er N11 S7 -","- C78 Er2 N22 S14 -","2","0.0625","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0398","0.0397","","","0.1143","0.1145","","","","","","1.095","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125928","11.3772","0.0006","11.3772","0.0006","11.3772","0.0006","90","","90","","90","","1472.67","0.13","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C39 H0 N11 O0 S7 Sm -","- C38.9968 N11 S7 Sm -","- C38.9968 N11 S7 Sm -","1","0.0208333","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0392","0.0392","","","0.1136","0.1136","","","","","","1.043","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125929","11.3736","0.0004","11.3736","0.0004","22.495","0.0008","90","","90","","90","","2909.93","0.18","100","2","100","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C39 H0 N11 O0 S7 Yb -","- C39 N11 S7 Yb -","- C78 N22 S14 Yb2 -","2","0.0625","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0446","0.0446","","","0.1261","0.1261","","","","","","1.11","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125930","11.3752","0.0011","11.3752","0.0011","11.3752","0.0011","90","","90","","90","","1471.9","0.2","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C39 H0 Cm N11 O3 S7 -","- C39.0008 Cm N11.0016 O3 S7.0016 -","- C39.0008 Cm N11.0016 O3 S7.0016 -","1","0.0208333","","Wilson, Richard E.; Carter, Tyler J.; Autillo, Matthieu; Stegman, Samantha","Thiocyanate complexes of the lanthanides, Am and Cm.","Chemical communications (Cambridge, England)","2020","56","17","2622","2625","10.1039/c9cc07612c","","","0.71073","MoKα","","0.0435","0.0435","","","0.15","0.15","","","","","","1.476","","","","has coordinates","248808","2020-10-21","18:00:00",""
"7125931","10.02302","0.00017","22.8571","0.0004","15.9505","0.0003","90","","91.5838","0.0017","90","","3652.82","0.11","109.5","0.7","109.5","0.7","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C60 H80 B2 F4 I4 N4 O23 V6 -","- C58 H80 B2 F4 I4 N6 O23 V6 -","- C116 H160 B4 F8 I8 N12 O46 V12 -","2","1","","Gu, Yaqi; Li, Qi; Huang, Yichao; Zhu, Yingting; Wei, Yongge; Ruhlmann, Laurent","Polyoxovanadate-iodobodipy supramolecular assemblies: new agents for high efficiency cancer photochemotherapy.","Chemical communications (Cambridge, England)","2020","56","19","2869","2872","10.1039/c9cc09944a","","x-ray","1.54184","CuKα","","0.0792","0.0693","","","0.193","0.2118","","","","","","0.895","","","","has coordinates,has disorder","250179","2020-10-21","18:00:00",""
"7125932","18.6651","0.0005","9.1102","0.0003","18.3035","0.0005","90","","108.224","0.001","90","","2956.26","0.15","170","2","169.99","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 O5 S2 -","- C38 H26 O5 S2 -","- C152 H104 O20 S8 -","4","0.5","","Zeng, Linwei; Chen, Renjie; Zhang, Chen; Xie, Hujun; Cui, Sunliang","Iridium(i)-catalyzed hydration/esterification of 2-alkynylphenols and carboxylic acids.","Chemical communications (Cambridge, England)","2020","56","20","3093","3096","10.1039/c9cc09984k","","","0.71073","MoKα","","0.064","0.0471","","","0.1245","0.1394","","","","","","1.034","","","","has coordinates,has disorder","250187","2020-10-21","18:00:00",""
"7125933","6.914","0.004","10.6","0.008","13.029","0.01","99.77","0.03","96.31","0.02","92.38","0.04","933.6","1.1","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H14 N2 O7 -","- C21 H14 N2 O7 -","- C42 H28 N4 O14 -","2","1","","Zeng, Linwei; Chen, Renjie; Zhang, Chen; Xie, Hujun; Cui, Sunliang","Iridium(i)-catalyzed hydration/esterification of 2-alkynylphenols and carboxylic acids.","Chemical communications (Cambridge, England)","2020","56","20","3093","3096","10.1039/c9cc09984k","","","0.71073","MoKα","","0.0761","0.0582","","","0.1572","0.1752","","","","","","1.106","","","","has coordinates,has disorder","250187","2020-10-21","18:00:00",""
"7125934","11.02","0.002","11.052","0.002","16.364","0.003","106.83","0.016","104.08","0.016","100.237","0.015","1783","0.6","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N O5 -","- C21 H15 N O5 -","- C84 H60 N4 O20 -","4","2","","Zeng, Linwei; Chen, Renjie; Zhang, Chen; Xie, Hujun; Cui, Sunliang","Iridium(i)-catalyzed hydration/esterification of 2-alkynylphenols and carboxylic acids.","Chemical communications (Cambridge, England)","2020","56","20","3093","3096","10.1039/c9cc09984k","","","0.71073","MoKα","","0.0835","0.0526","","","0.1258","0.1532","","","","","","1.036","","","","has coordinates","250187","2020-10-21","18:00:00",""
"7125935","20.126","0.004","7.6043","0.0004","19.1043","0.0019","90","","114.182","0.01","90","","2667.2","0.6","293","2","293","2","","","","","","","synthesis","3","C 1 2/c 1","-C 2yc","15","","2-((5-methyl-1H-indol-3-yl)methyl)aniline","","- C16 H16 N2 -","- C16 H16 N2 -","- C128 H128 N16 -","8","1","","Roy, Subhra Kanti; Purkait, Anisha; Aziz, Sk Md Tarik; Jana, Chandan K.","Acid mediated coupling of aliphatic amines and nitrosoarenes to indoles.","Chemical communications (Cambridge, England)","2020","56","21","3167","3170","10.1039/c9cc09616g","","x-ray","0.71073","MoKα","","0.0861","0.0559","","","0.1357","0.1603","","","","","","1.076","","","","has coordinates","250206","2020-10-21","18:00:00",""
"7125936","20.3252","0.0011","17.4919","0.0013","7.6118","0.0003","90","","90","","90","","2706.2","0.3","293","2","293","2","","","","","","","synthesis","3","P c c n","-P 2ab 2ac","56","","2-((1H-indol-3-yl)methyl)aniline","","- C15 H14 N2 -","- C15 H14 N2 -","- C120 H112 N16 -","8","1","","Roy, Subhra Kanti; Purkait, Anisha; Aziz, Sk Md Tarik; Jana, Chandan K.","Acid mediated coupling of aliphatic amines and nitrosoarenes to indoles.","Chemical communications (Cambridge, England)","2020","56","21","3167","3170","10.1039/c9cc09616g","","x-ray","0.71073","MoKα","","0.1657","0.1227","","","0.3538","0.3975","","","","","","1.346","","","","has coordinates","250206","2020-10-21","18:00:00",""
"7125937","7.6085","0.001","18.276","0.003","18.693","0.002","90","","90","","90","","2599.3","0.6","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 O3 -","- C30 H42 O3 -","- C120 H168 O12 -","4","1","","Wang, Wen-Li; Liu, Xiao-Qin; Zhang, Mei-Hui; Lin, Bin; Zhu, Dong-Rong; Li, Ling-Nan; Chen, Chen; Han, Chao; Luo, Jian-Guang; Kong, Ling-Yi","Taxodisones A and B: bioactive C<sub>30</sub>-terpenes with new skeletons from Taxodium distichum and their biosynthetic origin.","Chemical communications (Cambridge, England)","2020","56","22","3329","3332","10.1039/c9cc09433d","","","1.54184","CuKα","","0.034","0.0316","","","0.0851","0.087","","","","","","1.022","","","","has coordinates","250165","2020-10-21","18:00:00",""
"7125938","10.264","0.0003","12.5469","0.0003","20.5284","0.0005","90","","101.807","0.001","90","","2587.74","0.12","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H42 O3 -","- C30 H42 O3 -","- C120 H168 O12 -","4","2","","Wang, Wen-Li; Liu, Xiao-Qin; Zhang, Mei-Hui; Lin, Bin; Zhu, Dong-Rong; Li, Ling-Nan; Chen, Chen; Han, Chao; Luo, Jian-Guang; Kong, Ling-Yi","Taxodisones A and B: bioactive C<sub>30</sub>-terpenes with new skeletons from Taxodium distichum and their biosynthetic origin.","Chemical communications (Cambridge, England)","2020","56","22","3329","3332","10.1039/c9cc09433d","","","1.54184","CuKα","","0.0363","0.0333","","","0.0854","0.092","","","","","","1.036","","","","has coordinates","250165","2020-10-21","18:00:00",""
"7125939","15.8112","0.0015","18.2465","0.0018","23.607","0.002","78.927","0.003","87.544","0.003","81.311","0.003","6606.4","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H74 Cl2 Cr2 F10 N4 -","- C76 H74 Cl2 Cr2 F10 N4 -","- C304 H296 Cl8 Cr8 F40 N16 -","4","2","","Dong, Yuyang; Clarke, Ryan M.; Zheng, Shao-Liang; Betley, Theodore A.","Synthesis and electronic structure studies of a Cr-imido redox series.","Chemical communications (Cambridge, England)","2020","56","21","3163","3166","10.1039/d0cc00108b","","","0.71073","MoKα","","0.1592","0.0664","","","0.1452","0.1872","","","","","","1.031","","","","has coordinates,has disorder","250204","2020-10-21","18:00:00",""
"7125940","11.3653","0.0004","17.4031","0.0007","21.1322","0.0005","93.966","0.003","102.004","0.002","96.269","0.003","4045.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H50 Cr F8 N2 O5 S -","- C44 H50 Cr F8 N2 O5 S -","- C176 H200 Cr4 F32 N8 O20 S4 -","4","2","","Dong, Yuyang; Clarke, Ryan M.; Zheng, Shao-Liang; Betley, Theodore A.","Synthesis and electronic structure studies of a Cr-imido redox series.","Chemical communications (Cambridge, England)","2020","56","21","3163","3166","10.1039/d0cc00108b","","","1.54184","CuKα","","0.1136","0.071","","","0.1757","0.2022","","","","","","1.026","","","","has coordinates,has disorder","250204","2020-10-21","18:00:00",""
"7125941","11.4314","0.0004","13.7772","0.0005","15.3492","0.0006","104.593","0.002","91.816","0.002","93.766","0.003","2331.44","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H67 Cr F5 N3 O -","- C54 H67 Cr F5 N3 O -","- C108 H134 Cr2 F10 N6 O2 -","2","1","","Dong, Yuyang; Clarke, Ryan M.; Zheng, Shao-Liang; Betley, Theodore A.","Synthesis and electronic structure studies of a Cr-imido redox series.","Chemical communications (Cambridge, England)","2020","56","21","3163","3166","10.1039/d0cc00108b","","","1.54178","CuKα","","0.0734","0.0573","","","0.1448","0.1596","","","","","","1.029","","","","has coordinates,has disorder","250204","2020-10-21","18:00:00",""
"7125942","15.3902","0.0008","22.0785","0.0008","29.9364","0.0015","90","","90","","90","","10172.2","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H70 Cr F5 N4 -","- C59 H70 Cr F5 N4 -","- C472 H560 Cr8 F40 N32 -","8","1","","Dong, Yuyang; Clarke, Ryan M.; Zheng, Shao-Liang; Betley, Theodore A.","Synthesis and electronic structure studies of a Cr-imido redox series.","Chemical communications (Cambridge, England)","2020","56","21","3163","3166","10.1039/d0cc00108b","","","0.71073","MoKα","","0.1414","0.0697","","","0.132","0.1586","","","","","","1.017","","","","has coordinates","250204","2020-10-21","18:00:00",""
"7125943","18.229","0.003","20.427","0.003","10.3857","0.0018","90","","105.421","0.004","90","","3728","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 Cl Cr F5 N3 -","- C44 H45 Cl Cr F5 N3 -","- C176 H180 Cl4 Cr4 F20 N12 -","4","1","","Dong, Yuyang; Clarke, Ryan M.; Zheng, Shao-Liang; Betley, Theodore A.","Synthesis and electronic structure studies of a Cr-imido redox series.","Chemical communications (Cambridge, England)","2020","56","21","3163","3166","10.1039/d0cc00108b","","","0.71073","MoKα","","0.2209","0.0965","","","0.1238","0.1538","","","","","","1.044","","","","has coordinates","250204","2020-10-21","18:00:00",""
"7125944","17.0256","0.0012","17.8637","0.0013","17.9461","0.0012","90","","112.061","0.002","90","","5058.5","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H53 Cr F8 N3 O4 S -","- C49 H53 Cr F8 N3 O4 S -","- C196 H212 Cr4 F32 N12 O16 S4 -","4","2","","Dong, Yuyang; Clarke, Ryan M.; Zheng, Shao-Liang; Betley, Theodore A.","Synthesis and electronic structure studies of a Cr-imido redox series.","Chemical communications (Cambridge, England)","2020","56","21","3163","3166","10.1039/d0cc00108b","","","0.71073","MoKα","","0.1309","0.0671","","","0.1373","0.1661","","","","","","1.018","","","","has coordinates,has disorder","250204","2020-10-21","18:00:00",""
"7125945","26.739","0.005","26.793","0.005","29.537","0.006","64.09","0.03","77.3","0.03","86.34","0.03","18556","8","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C360 H312 N58 O90 Pd6 S12 -","- C360 H312 N58 O90 Pd6 S12 -","- C360 H312 N58 O90 Pd6 S12 -","1","0.5","","Lee, Haeri; Kim, Dongwon; Oh, Hyejin; Jung, Ok-Sang","Molecular balloon, Pd<sub>6</sub>L<sub>8</sub> cages: recognition of alkyl sulfate surfactants.","Chemical communications (Cambridge, England)","2020","56","19","2841","2844","10.1039/c9cc09742b","","","0.8","synchrotron","","0.1503","0.1122","","","0.3608","0.3831","","","","","","1.341","","","","has coordinates","250180","2020-10-21","18:00:00",""
"7125946","29.802","0.004","29.802","0.004","68.496","0.014","90","","90","","120","","52685","15","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C396 H378 N48 O78 Pd6 S12 -","- C396 H378 N48 O78 Pd6 S12 -","- C1188 H1134 N144 O234 Pd18 S36 -","3","0.166667","","Lee, Haeri; Kim, Dongwon; Oh, Hyejin; Jung, Ok-Sang","Molecular balloon, Pd<sub>6</sub>L<sub>8</sub> cages: recognition of alkyl sulfate surfactants.","Chemical communications (Cambridge, England)","2020","56","19","2841","2844","10.1039/c9cc09742b","","","0.9","synchrotron","","0.2036","0.1499","","","0.4205","0.4504","","","","","","1.852","","","","has coordinates,has disorder","250180","2020-10-21","18:00:00",""
"7125947","35.325","0.005","35.325","0.005","49.962","0.01","90","","90","","90","","62345","18","298","2","298","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C336 H240 N48 O48 Pd6 -","- C336 H240 N48 O48 Pd6 -","- C672 H480 N96 O96 Pd12 -","2","0.125","","Lee, Haeri; Kim, Dongwon; Oh, Hyejin; Jung, Ok-Sang","Molecular balloon, Pd<sub>6</sub>L<sub>8</sub> cages: recognition of alkyl sulfate surfactants.","Chemical communications (Cambridge, England)","2020","56","19","2841","2844","10.1039/c9cc09742b","","","0.75","synchrotron","","0.3047","0.1517","","","0.3986","0.4698","","","","","","0.955","","","","has coordinates","250180","2020-10-21","18:00:00",""
"7125948","29.879","0.004","29.879","0.004","68.309","0.014","90","","90","","120","","52813","15","103","2","103","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C420 H426 N48 O78 Pd6 S12 -","- C420 H426 N48 O78 Pd6 S12 -","- C1260 H1278 N144 O234 Pd18 S36 -","3","0.166667","","Lee, Haeri; Kim, Dongwon; Oh, Hyejin; Jung, Ok-Sang","Molecular balloon, Pd<sub>6</sub>L<sub>8</sub> cages: recognition of alkyl sulfate surfactants.","Chemical communications (Cambridge, England)","2020","56","19","2841","2844","10.1039/c9cc09742b","","","0.75","synchrotron","","0.2257","0.1295","","","0.3671","0.4149","","","","","","1.122","","","","has coordinates","250180","2020-10-21","18:00:00",""
"7125949","6.5511","0.0011","6.9192","0.0012","8.0265","0.0017","93.73","0.001","102.78","0.001","91.769","0.001","353.68","0.11","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(4-Methylphenyl)formamide","","- C8 H9 N O -","- C8 H9 N O -","- C16 H18 N2 O2 -","2","1","","Zhai, Shengxian; Zhang, Xinping; Cheng, Bin; Li, Hui; Li, Yuntong; He, Yixuan; Li, Yun; Wang, Taimin; Zhai, Hongbin","Synthesis of tetrasubstituted thiophenes via a [3+2] cascade cyclization reaction of pyridinium 1,4-zwitterionic thiolates and activated allenes.","Chemical communications (Cambridge, England)","2020","56","20","3085","3088","10.1039/d0cc00262c","","","0.71073","MoKα","","0.0713","0.0464","","","0.1189","0.1273","","","","","","0.902","","","","has coordinates","250186","2020-10-21","18:00:00",""
"7125950","18.903","0.004","7.1434","0.0016","14.656","0.003","90","","100.898","0.004","90","","1943.3","0.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O5 S -","- C22 H16 O5 S -","- C88 H64 O20 S4 -","4","1","","Zhai, Shengxian; Zhang, Xinping; Cheng, Bin; Li, Hui; Li, Yuntong; He, Yixuan; Li, Yun; Wang, Taimin; Zhai, Hongbin","Synthesis of tetrasubstituted thiophenes via a [3+2] cascade cyclization reaction of pyridinium 1,4-zwitterionic thiolates and activated allenes.","Chemical communications (Cambridge, England)","2020","56","20","3085","3088","10.1039/d0cc00262c","","","0.71073","MoKα","","0.1075","0.078","","","0.2272","0.2553","","","","","","1.018","","","","has coordinates","250186","2020-10-21","18:00:00",""
"7125951","16.371","0.0006","10.3034","0.0005","17.1373","0.0006","90","","94.539","0.004","90","","2881.6","0.2","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 B Br Cl2 N6 O2 W -","- C25 H28 B Br Cl2 N6 O2 W -","- C100 H112 B4 Br4 Cl8 N24 O8 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.; Seitz, Antonia","Bi- and poly(carbyne) functionalised polycyclic aromatics.","Chemical communications (Cambridge, England)","2020","56","22","3265","3268","10.1039/d0cc00786b","","","0.71073","MoKα","","0.0474","0.0384","","","0.094","0.0999","","","","","","1.065","","","","has coordinates","250159","2020-10-21","18:00:00",""
"7125952","13.8341","0.0004","10.1106","0.0003","20.5773","0.0006","90","","106.771","0.003","90","","2755.75","0.15","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 B2 N12 O4 W2 -","- C50 H52 B2 N12 O4 W2 -","- C100 H104 B4 N24 O8 W4 -","2","0.5","","Frogley, Benjamin J.; Hill, Anthony F.; Seitz, Antonia","Bi- and poly(carbyne) functionalised polycyclic aromatics.","Chemical communications (Cambridge, England)","2020","56","22","3265","3268","10.1039/d0cc00786b","","","1.54184","CuKα","","0.05","0.035","","","0.0785","0.085","","","","","","0.984","","","","has coordinates","250159","2020-10-21","18:00:00",""
"7125953","13.2449","0.0008","18.7892","0.0006","16.1898","0.0007","90","","107.336","0.006","90","","3846","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H108 B2 N12 O4 W2 -","- C72 H108 B2 N12 O4 W2 -","- C144 H216 B4 N24 O8 W4 -","2","0.5","","Frogley, Benjamin J.; Hill, Anthony F.; Seitz, Antonia","Bi- and poly(carbyne) functionalised polycyclic aromatics.","Chemical communications (Cambridge, England)","2020","56","22","3265","3268","10.1039/d0cc00786b","","","1.54184","CuKα","","0.0639","0.0485","","","0.1161","0.1246","","","","","","1.04","","","","has coordinates,has disorder","250159","2020-10-21","18:00:00",""
"7125954","10.2667","0.0004","23.1598","0.0012","13.5771","0.0006","90","","92.406","0.004","90","","3225.4","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 B N7 O2 W -","- C34 H34 B N7 O2 W -","- C136 H136 B4 N28 O8 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.; Seitz, Antonia","Bi- and poly(carbyne) functionalised polycyclic aromatics.","Chemical communications (Cambridge, England)","2020","56","22","3265","3268","10.1039/d0cc00786b","","","0.71073","MoKα","","0.0504","0.0432","","","0.0776","0.0802","","","","","","1.172","","","","has coordinates","250159","2020-10-21","18:00:00",""
"7125955","37.593","0.0003","10.4555","0.0001","32.1962","0.0003","90","","96.483","0.001","90","","12573.9","0.2","150","0.1","150","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C32.5 H32 B Cl N6 O2 W -","- C32.5 H32 B Cl N6 O2 W -","- C520 H512 B16 Cl16 N96 O32 W16 -","16","2","","Frogley, Benjamin J.; Hill, Anthony F.; Seitz, Antonia","Bi- and poly(carbyne) functionalised polycyclic aromatics.","Chemical communications (Cambridge, England)","2020","56","22","3265","3268","10.1039/d0cc00786b","","","1.54184","CuKα","","0.0315","0.0295","","","0.0718","0.0732","","","","","","1.08","","","","has coordinates","250159","2020-10-21","18:00:00",""
"7125956","7.9501","0.0001","17.9153","0.0003","19.455","0.0002","90","","100.437","0.001","90","","2725.1","0.06","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 B N6 O2 W -","- C28 H29 B N6 O2 W -","- C112 H116 B4 N24 O8 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.; Seitz, Antonia","Bi- and poly(carbyne) functionalised polycyclic aromatics.","Chemical communications (Cambridge, England)","2020","56","22","3265","3268","10.1039/d0cc00786b","","","1.54184","CuKα","","0.0317","0.0294","","","0.0745","0.0765","","","","","","1.074","","","","has coordinates","250159","2020-10-21","18:00:00",""
"7125957","7.9431","0.0004","17.7548","0.0008","19.9617","0.0009","90","","99.821","0.004","90","","2773.9","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 B N6 O2 W -","- C28 H29 B N6 O2 W -","- C112 H116 B4 N24 O8 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.; Seitz, Antonia","Bi- and poly(carbyne) functionalised polycyclic aromatics.","Chemical communications (Cambridge, England)","2020","56","22","3265","3268","10.1039/d0cc00786b","","","1.54184","CuKα","","0.0679","0.0589","","","0.1409","0.1476","","","","","","1.117","","","","has coordinates","250159","2020-10-21","18:00:00",""
"7125958","23.8078","0.0008","25.26","0.0006","25.4589","0.0009","90","","114.84","0.004","90","","13894.1","0.9","150","0.1","150","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C106 H130 B4 N24 O8 W4 -","- C106 H130 B4 N24 O8 W4 -","- C424 H520 B16 N96 O32 W16 -","4","0.5","","Frogley, Benjamin J.; Hill, Anthony F.; Seitz, Antonia","Bi- and poly(carbyne) functionalised polycyclic aromatics.","Chemical communications (Cambridge, England)","2020","56","22","3265","3268","10.1039/d0cc00786b","","","1.54184","CuKα","","0.0642","0.0523","","","0.1385","0.1497","","","","","","1.026","","","","has coordinates","250159","2020-10-21","18:00:00",""
"7125959","14.1626","0.0003","36.3631","0.0007","14.8716","0.0003","90","","90.019","0.002","90","","7658.8","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H69 B3 N18 O6 W3 -","- C60 H69 B3 N18 O6 W3 -","- C240 H276 B12 N72 O24 W12 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.; Seitz, Antonia","Bi- and poly(carbyne) functionalised polycyclic aromatics.","Chemical communications (Cambridge, England)","2020","56","22","3265","3268","10.1039/d0cc00786b","","","1.54184","CuKα","","0.0706","0.0546","","","0.141","0.1535","","","","","","1.016","","","","has coordinates","250159","2020-10-21","18:00:00",""
"7125960","14.844","0.008","9.534","0.005","16.867","0.008","90","","90","","90","","2387","2","153","2","153","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C26 H32 N4 -","- C26 H32 N4 -","- C104 H128 N16 -","4","0.5","","Wang, Wenqing; Tan, Gengwen; Feng, Rui; Fang, Yong; Chen, Chao; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","Stable, yet ""naked"", azo radical anion ArNNAr<sup>-</sup> and dianion ArNNAr<sup>2-</sup> (Ar = 4-CN-2,6-<sup>i</sup>Pr<sub>2</sub>-C<sub>6</sub>H<sub>2</sub>) with selective CO<sub>2</sub> activation.","Chemical communications (Cambridge, England)","2020","56","22","3285","3288","10.1039/c9cc07382e","","","0.71073","MoKα","","0.1364","0.0712","","","0.1479","0.1747","","","","","","1.029","","","","has coordinates","250157","2020-10-21","18:00:00",""
"7125961","18.399","0.002","14.6911","0.0016","15.7048","0.0016","90","","103.277","0.003","90","","4131.6","0.8","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H64 N4 Na O4 -","- C42 H64 N4 Na O4 -","- C168 H256 N16 Na4 O16 -","4","0.5","","Wang, Wenqing; Tan, Gengwen; Feng, Rui; Fang, Yong; Chen, Chao; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","Stable, yet ""naked"", azo radical anion ArNNAr<sup>-</sup> and dianion ArNNAr<sup>2-</sup> (Ar = 4-CN-2,6-<sup>i</sup>Pr<sub>2</sub>-C<sub>6</sub>H<sub>2</sub>) with selective CO<sub>2</sub> activation.","Chemical communications (Cambridge, England)","2020","56","22","3285","3288","10.1039/c9cc07382e","","","0.71073","MoKα","","0.0901","0.0666","","","0.1712","0.1903","","","","","","1.026","","","","has coordinates,has disorder","250157","2020-10-21","18:00:00",""
"7125962","18.731","0.004","15.129","0.003","15.467","0.003","90","","104.882","0.004","90","","4236","1.5","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H64 K N4 O4 -","- C42 H63.998 K N4 O4 -","- C168 H255.992 K4 N16 O16 -","4","0.5","","Wang, Wenqing; Tan, Gengwen; Feng, Rui; Fang, Yong; Chen, Chao; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","Stable, yet ""naked"", azo radical anion ArNNAr<sup>-</sup> and dianion ArNNAr<sup>2-</sup> (Ar = 4-CN-2,6-<sup>i</sup>Pr<sub>2</sub>-C<sub>6</sub>H<sub>2</sub>) with selective CO<sub>2</sub> activation.","Chemical communications (Cambridge, England)","2020","56","22","3285","3288","10.1039/c9cc07382e","","","0.71073","MoKα","","0.107","0.077","","","0.1914","0.215","","","","","","1","","","","has coordinates,has disorder","250157","2020-10-21","18:00:00",""
"7125963","13.5116","0.0006","14.2386","0.0008","17.4578","0.0008","84.41","0.002","68.71","0.001","86.045","0.002","3112.5","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C112 H184 K4 N8 O27 -","- C112 H184 K4 N8 O27 -","- C112 H184 K4 N8 O27 -","1","0.5","","Wang, Wenqing; Tan, Gengwen; Feng, Rui; Fang, Yong; Chen, Chao; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","Stable, yet ""naked"", azo radical anion ArNNAr<sup>-</sup> and dianion ArNNAr<sup>2-</sup> (Ar = 4-CN-2,6-<sup>i</sup>Pr<sub>2</sub>-C<sub>6</sub>H<sub>2</sub>) with selective CO<sub>2</sub> activation.","Chemical communications (Cambridge, England)","2020","56","22","3285","3288","10.1039/c9cc07382e","","","0.71073","MoKα","","0.0979","0.0741","","","0.1917","0.2123","","","","","","1.017","","","","has coordinates,has disorder","250157","2020-10-21","18:00:00",""
"7125964","12.996","0.0006","26.8623","0.0014","22.322","0.0011","90","","101.922","0.003","90","","7624.6","0.7","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H104 K2 N4 O19 -","- C64 H104 K2 N4 O19 -","- C256 H416 K8 N16 O76 -","4","1","","Wang, Wenqing; Tan, Gengwen; Feng, Rui; Fang, Yong; Chen, Chao; Ruan, Huapeng; Zhao, Yue; Wang, Xinping","Stable, yet ""naked"", azo radical anion ArNNAr<sup>-</sup> and dianion ArNNAr<sup>2-</sup> (Ar = 4-CN-2,6-<sup>i</sup>Pr<sub>2</sub>-C<sub>6</sub>H<sub>2</sub>) with selective CO<sub>2</sub> activation.","Chemical communications (Cambridge, England)","2020","56","22","3285","3288","10.1039/c9cc07382e","","","1.34139","GaKα","","0.0956","0.0725","","","0.1474","0.157","","","","","","1.094","","","","has coordinates,has disorder","250157","2020-10-21","18:00:00",""
"7125965","49.267","0.004","14.9082","0.0012","39.726","0.003","90","","100.616","0.004","90","","28679","4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C79 H191.2 N24 O74.1 P6 -","- C79 H151 N24 O74.1 P6 -","- C632 H1208 N192 O592.8 P48 -","8","1","","Pramanik, Subhamay; Day, Victor W.; Bowman-James, Kristin","Supramolecular traps for highly phosphorylated inositol sources of phosphorus.","Chemical communications (Cambridge, England)","2020","56","22","3269","3272","10.1039/c9cc09321d","","","1.54178","CuKα","","0.1601","0.1185","","","0.3241","0.3657","","","","","","1.054","","","","has coordinates","250166","2020-10-21","18:00:00",""
"7125966","18.3819","0.0008","18.3819","0.0008","35.5789","0.0018","90","","90","","120","","10411.3","0.8","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C82 H171.4 N26 O59.6 P6 -","- C82 H120 N26 O59.6 P6 -","- C246 H360 N78 O178.8 P18 -","3","0.166667","","Pramanik, Subhamay; Day, Victor W.; Bowman-James, Kristin","Supramolecular traps for highly phosphorylated inositol sources of phosphorus.","Chemical communications (Cambridge, England)","2020","56","22","3269","3272","10.1039/c9cc09321d","","","1.54178","CuKα","","0.2191","0.1584","","","0.3512","0.3915","","","","","","1.064","","","","has coordinates","250166","2020-10-21","18:00:00",""
"7125967","10.6732","0.0006","12.999","0.0008","16.3255","0.001","75.5241","0.0012","85.8338","0.0013","71.3608","0.0013","2078","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H56 N12 O10 -","- C36 H56 N12 O10 -","- C72 H112 N24 O20 -","2","1","","Pramanik, Subhamay; Day, Victor W.; Bowman-James, Kristin","Supramolecular traps for highly phosphorylated inositol sources of phosphorus.","Chemical communications (Cambridge, England)","2020","56","22","3269","3272","10.1039/c9cc09321d","","","1.54178","CuKα","","0.037","0.0354","","","0.0927","0.0943","","","","","","1.021","","","","has coordinates","250166","2020-10-21","18:00:00",""
"7125968","10.3306","0.0004","12.1908","0.0006","16.1323","0.0006","92.418","0.004","107.283","0.004","91.169","0.004","1937.06","0.15","100.01","0.11","100.01","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C100 H50 Cu10 N20 -","- C100 H50 Cu10 N20 -","- C100 H50 Cu10 N20 -","1","0.5","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Li, Ming-De; Sun, Shanshan; Zheng, Ji; Ning, Guo-Hong; Li, Mian; Kuang, Dai-Bin; Wang, Xu-Dong; Li, Dan","Coordination disk-type nano-Saturn complexes.","Chemical communications (Cambridge, England)","2020","56","22","3325","3328","10.1039/d0cc00532k","","x-ray","1.54184","CuKα","","0.0802","0.0756","","","0.2063","0.2085","","","","","","1.089","","","","has coordinates","250156","2020-10-21","18:00:00",""
"7125969","10.8822","0.0002","12.4297","0.0002","16.2388","0.0003","96.008","0.002","108.765","0.002","90.917","0.002","2065.44","0.07","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C110 H50 Cu10 N20 -","- C110 H50 Cu10 N20 -","- C110 H50 Cu10 N20 -","1","0.5","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Li, Ming-De; Sun, Shanshan; Zheng, Ji; Ning, Guo-Hong; Li, Mian; Kuang, Dai-Bin; Wang, Xu-Dong; Li, Dan","Coordination disk-type nano-Saturn complexes.","Chemical communications (Cambridge, England)","2020","56","22","3325","3328","10.1039/d0cc00532k","","","1.54184","CuKα","","0.0335","0.0316","","","0.0879","0.0894","","","","","","1.039","","","","has coordinates,has disorder","250156","2020-10-21","18:00:00",""
"7125970","10.3986","0.0003","30.8174","0.0008","12.2534","0.0003","90","","91.742","0.002","90","","3924.88","0.18","250","0.1","250","0.1","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C100 H50 Cu10 N20 -","- C100 H50 Cu10 N20 -","- C200 H100 Cu20 N40 -","2","0.25","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Li, Ming-De; Sun, Shanshan; Zheng, Ji; Ning, Guo-Hong; Li, Mian; Kuang, Dai-Bin; Wang, Xu-Dong; Li, Dan","Coordination disk-type nano-Saturn complexes.","Chemical communications (Cambridge, England)","2020","56","22","3325","3328","10.1039/d0cc00532k","","x-ray","1.54184","CuKα","","0.0472","0.0447","","","0.1301","0.1323","","","","","","1.084","","","","has coordinates,has disorder","250156","2020-10-21","18:00:00",""
"7125971","10.8776","0.0002","12.4524","0.0001","16.2822","0.0002","95.7","0.001","108.748","0.001","91.392","0.001","2074.41","0.05","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C110 H50 Cu10 N20 -","- C110 H50 Cu10 N20 -","- C110 H50 Cu10 N20 -","1","0.5","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Li, Ming-De; Sun, Shanshan; Zheng, Ji; Ning, Guo-Hong; Li, Mian; Kuang, Dai-Bin; Wang, Xu-Dong; Li, Dan","Coordination disk-type nano-Saturn complexes.","Chemical communications (Cambridge, England)","2020","56","22","3325","3328","10.1039/d0cc00532k","","","1.54184","CuKα","","0.0341","0.0338","","","0.094","0.0943","","","","","","1.046","","","","has coordinates,has disorder","250156","2020-10-21","18:00:00",""
"7125972","10.3877","0.0002","12.2263","0.0003","16.1951","0.0004","90.741","0.002","107.985","0.002","91.592","0.002","1955.07","0.08","199.99","0.1","199.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C100 H50 Cu10 N20 -","- C100 H50 Cu10 N20 -","- C100 H50 Cu10 N20 -","1","0.5","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Li, Ming-De; Sun, Shanshan; Zheng, Ji; Ning, Guo-Hong; Li, Mian; Kuang, Dai-Bin; Wang, Xu-Dong; Li, Dan","Coordination disk-type nano-Saturn complexes.","Chemical communications (Cambridge, England)","2020","56","22","3325","3328","10.1039/d0cc00532k","","x-ray","1.54184","CuKα","","0.0892","0.0814","","","0.2228","0.229","","","","","","1.051","","","","has coordinates","250156","2020-10-21","18:00:00",""
"7125973","16.3006","0.0003","16.5127","0.0003","16.5388","0.0002","98.05","0.001","98.473","0.001","108.223","0.002","4099.39","0.13","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C110 H50 Cu10 N20 -","- C110 H50 Cu10 N20 -","- C220 H100 Cu20 N40 -","2","1","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Li, Ming-De; Sun, Shanshan; Zheng, Ji; Ning, Guo-Hong; Li, Mian; Kuang, Dai-Bin; Wang, Xu-Dong; Li, Dan","Coordination disk-type nano-Saturn complexes.","Chemical communications (Cambridge, England)","2020","56","22","3325","3328","10.1039/d0cc00532k","","","1.54184","CuKα","","0.03","0.0283","","","0.0804","0.0816","","","","","","1.045","","","","has coordinates","250156","2020-10-21","18:00:00",""
"7125974","10.4531","0.0002","30.8052","0.0006","12.2818","0.0002","90","","91.966","0.002","90","","3952.53","0.13","300","2","300","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C100 H50 Cu10 N20 -","- C100 H50 Cu10 N20 -","- C200 H100 Cu20 N40 -","2","0.25","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Li, Ming-De; Sun, Shanshan; Zheng, Ji; Ning, Guo-Hong; Li, Mian; Kuang, Dai-Bin; Wang, Xu-Dong; Li, Dan","Coordination disk-type nano-Saturn complexes.","Chemical communications (Cambridge, England)","2020","56","22","3325","3328","10.1039/d0cc00532k","","","1.54184","CuKα","","0.0308","0.0287","","","0.0842","0.0856","","","","","","1.088","","","","has coordinates,has disorder","250156","2020-10-21","18:00:00",""
"7125975","16.2846","0.0002","16.3744","0.0001","16.5641","0.0001","98.035","0.001","98.566","0.001","108.306","0.001","4063.83","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C110 H50 Cu10 N20 -","- C110 H50 Cu10 N20 -","- C220 H100 Cu20 N40 -","2","1","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Li, Ming-De; Sun, Shanshan; Zheng, Ji; Ning, Guo-Hong; Li, Mian; Kuang, Dai-Bin; Wang, Xu-Dong; Li, Dan","Coordination disk-type nano-Saturn complexes.","Chemical communications (Cambridge, England)","2020","56","22","3325","3328","10.1039/d0cc00532k","","","1.54184","CuKα","","0.0292","0.0284","","","0.0761","0.0767","","","","","","1.093","","","","has coordinates","250156","2020-10-21","18:00:00",""
"7125976","19.429","0.004","19.429","0.004","12.057","0.002","90","","90","","90","","4551.3","1.5","180","2","180","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C90 H82 F24 N18 P4 -","- C70 H52 F24 N8 P4 -","- C140 H104 F48 N16 P8 -","2","0.25","","Nian, Hao; Li, Aisen; Li, Yawen; Cheng, Lin; Wang, Ling; Xu, Weiqing; Cao, Liping","Tetraphenylethene-based tetracationic dicyclophanes: synthesis, mechanochromic luminescence, and photochemical reactions.","Chemical communications (Cambridge, England)","2020","56","21","3195","3198","10.1039/d0cc00860e","","","1.34138","GaKα","","0.056","0.0454","","","0.1378","0.142","","","","","","1.055","","","","has coordinates","250208","2020-10-21","18:00:00",""
"7125977","11.8059","0.0014","14.764","0.002","19.268","0.002","78.553","0.005","73.274","0.004","75","0.005","3078.7","0.6","114","2","114","2","","","","","","","","5","P -1","-P 1","2","","","","- C61.5 H74 Cl4 N8 O7.5 -","- C60 H68 Cl4 N8 O6 -","- C120 H136 Cl8 N16 O12 -","2","1","","Nian, Hao; Li, Aisen; Li, Yawen; Cheng, Lin; Wang, Ling; Xu, Weiqing; Cao, Liping","Tetraphenylethene-based tetracationic dicyclophanes: synthesis, mechanochromic luminescence, and photochemical reactions.","Chemical communications (Cambridge, England)","2020","56","21","3195","3198","10.1039/d0cc00860e","","","0.71073","MoKα","","0.1066","0.0725","","","0.1814","0.2024","","","","","","1.053","","","","has coordinates,has disorder","250208","2020-10-21","18:00:00",""
"7125978","28.876","0.002","28.876","0.002","11.5084","0.0011","90","","90","","90","","9596","1.3","192","2","192","2","","","","","","","","7","P 42 21 2","P 4n 2n","94","","","","- C61 H92 F6 Fe N4 O12 S2 -","- C61 H92 F6 Fe N4 O12 S2 -","- C244 H368 F24 Fe4 N16 O48 S8 -","4","0.5","","Wang, Fang; Feng, Lili; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming","Chiral N,N'-dioxide-iron(iii)-catalyzed asymmetric sulfoxidation with hydrogen peroxide.","Chemical communications (Cambridge, England)","2020","56","21","3233","3236","10.1039/d0cc00434k","","","0.71073","MoKα","","0.1214","0.086","","","0.2178","0.2327","","","","","","1.012","","","","has coordinates","250205","2020-10-21","18:00:00",""
"7125979","9.8426","0.0007","12.5393","0.0009","16.1571","0.0015","75.374","0.007","79.253","0.007","72.06","0.007","1822.8","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H44.5 Br Cr N4 O14.25 -","- C27.5 H44.5 Br Cr N4 O14.25 -","- C55 H89 Br2 Cr2 N8 O28.5 -","2","1","","Ruan, Wenqing; Mao, Jiatao; Yang, Shida; Shi, Chuan; Jia, Guochen; Chen, Qing","Designing Cr complexes for a neutral Fe-Cr redox flow battery.","Chemical communications (Cambridge, England)","2020","56","21","3171","3174","10.1039/c9cc09704j","","x-ray","1.54184","CuKα","","0.0634","0.0561","","","0.1484","0.1552","","","","","","1.026","","","","has coordinates,has disorder","250210","2020-10-21","18:00:00",""
"7125980","6.803","0.002","7.008","0.002","9.588","0.003","90","","92.96","0.004","90","","456.5","0.2","153","","153","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- B4 Ba F6 H4 O6 -","- B4 Ba F6 H4 O6 -","- B8 Ba2 F12 H8 O12 -","2","0.25","","Gai, Minqiang; Wang, Ying; Tong, Tinghao; Wang, Liying; Yang, Zhihua; Zhou, Xin; Pan, Shilie","Ba(B<sub>2</sub>OF<sub>3</sub>(OH)<sub>2</sub>)<sub>2</sub> with well-ordered OH/F anions and a unique B<sub>2</sub>OF<sub>3</sub>(OH)<sub>2</sub> dimer.","Chemical communications (Cambridge, England)","2020","56","22","3301","3304","10.1039/c9cc06532f","","","0.71073","MoKα","","0.0144","0.0144","","","0.0334","0.0334","","","","","","0.98","","","","has coordinates","250164","2020-10-21","18:00:00",""
"7125981","10.313","0.0003","14.7947","0.0004","15.8422","0.0004","90","","90","","90","","2417.17","0.11","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H23 N3 O2 S -","- C30 H23 N3 O2 S -","- C120 H92 N12 O8 S4 -","4","1","","Ni, Qijian; Wang, Xuyang; Xu, Fangfang; Chen, Xiaoyun; Song, Xiaoxiao","Organocatalytic asymmetric [4+2] cyclization of 2-benzothiazolimines with azlactones: access to chiral benzothiazolopyrimidine derivatives.","Chemical communications (Cambridge, England)","2020","56","21","3155","3158","10.1039/d0cc00736f","","","0.71073","MoKα","","0.0532","0.0385","","","0.0918","0.1019","","","","","","1.053","","","","has coordinates","250203","2020-10-21","18:00:00",""
"7125982","11.0699","0.0004","23.359","0.0009","16.6594","0.0006","90","","96.992","0.002","90","","4275.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","ICB68","","- C21 H23 Cl F3 N5 O -","- C21 H23 Cl F3 N5 O -","- C168 H184 Cl8 F24 N40 O8 -","8","2","","Carreira-Barral, Israel; Mielczarek, Marcin; Alonso-Carrillo, Daniel; Capurro, Valeria; Soto-Cerrato, Vanessa; Pérez Tomás, Ricardo; Caci, Emanuela; García-Valverde, María; Quesada, Roberto","Click-tambjamines as efficient and tunable bioactive anion transporters.","Chemical communications (Cambridge, England)","2020","56","21","3218","3221","10.1039/d0cc00643b","","","1.54178","CuKα","","0.0733","0.0532","","","0.1427","0.1593","","","","","","1.037","","","","has coordinates","250200","2020-10-21","18:00:00",""
"7125983","7.9219","0.0002","9.5881","0.0002","19.0533","0.0005","99.49","0.0012","91.0584","0.0012","110.626","0.0011","1331.31","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","MM34","","- C24 H35 Cl2 N5 O3 -","- C24 H35 Cl2 N5 O3 -","- C48 H70 Cl4 N10 O6 -","2","1","","Carreira-Barral, Israel; Mielczarek, Marcin; Alonso-Carrillo, Daniel; Capurro, Valeria; Soto-Cerrato, Vanessa; Pérez Tomás, Ricardo; Caci, Emanuela; García-Valverde, María; Quesada, Roberto","Click-tambjamines as efficient and tunable bioactive anion transporters.","Chemical communications (Cambridge, England)","2020","56","21","3218","3221","10.1039/d0cc00643b","","","1.54178","CuKα","","0.0417","0.0356","","","0.0831","0.0869","","","","","","1.061","","","","has coordinates","250200","2020-10-21","18:00:00",""
"7125984","5.7035","0.0014","20.182","0.005","15.891","0.004","90","","96.478","0.004","90","","1817.5","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","MM75","","- C17 H17 Cl2 N5 O -","- C17 H17 Cl2 N5 O -","- C68 H68 Cl8 N20 O4 -","4","1","","Carreira-Barral, Israel; Mielczarek, Marcin; Alonso-Carrillo, Daniel; Capurro, Valeria; Soto-Cerrato, Vanessa; Pérez Tomás, Ricardo; Caci, Emanuela; García-Valverde, María; Quesada, Roberto","Click-tambjamines as efficient and tunable bioactive anion transporters.","Chemical communications (Cambridge, England)","2020","56","21","3218","3221","10.1039/d0cc00643b","","","0.71073","MoKα","","0.0745","0.0517","","","0.1459","0.1537","","","","","","1.023","","","","has coordinates","250200","2020-10-21","18:00:00",""
"7125985","9.026","0.002","11.173","0.002","23.919","0.005","90","","90","","90","","2412.2","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N0 O2 -","- C14 H18 O2 -","- C112 H144 O16 -","8","1","","Zhai, Shengxian; Qiu, Shuxian; Chen, Lunjian; Niu, Yongsheng; Yu, Youzhu; Yang, Bo; Zhang, Beining; Han, Chuchu; Yang, Liguo; Zhai, Hongbin","Synthesis of cyclobutane-fused oxygen-containing tricyclic framework via thermally promoted intramolecular cycloaddition of cyclohexadienone-tethered allenes.","Chemical communications (Cambridge, England)","2020","56","23","3405","3408","10.1039/d0cc00061b","","","0.71073","MoKα","","0.0493","0.0436","","","0.1162","0.1237","","","","","","1.053","","","","has coordinates","250195","2020-10-21","18:00:00",""
"7125986","15.3492","0.0016","13.4033","0.0012","11.3497","0.0012","90","","92.454","0.004","90","","2332.8","0.4","151","2","151.23","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N3 Se -","- C27 H29 N3 Se -","- C108 H116 N12 Se4 -","4","1","","Zhu, Li-Li; Tian, Lifang; Cai, Bin; Liu, Guanglu; Zhang, Hui; Wang, Yahui","Diamine-mediated N<sup>2</sup>-selective β-selenoalkylation of triazoles with alkenes.","Chemical communications (Cambridge, England)","2020","56","20","2979","2982","10.1039/d0cc00601g","","","0.71073","MoKα","","0.0694","0.0479","","","0.1107","0.1205","","","","","","1.063","","","","has coordinates","250188","2020-10-21","18:00:00",""
"7125987","11.6605","0.0012","5.8592","0.0007","13.2196","0.0013","90","","92.925","0.006","90","","902","0.17","152","2","151.67","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N3 Se -","- C20 H23 N3 Se -","- C40 H46 N6 Se2 -","2","1","","Zhu, Li-Li; Tian, Lifang; Cai, Bin; Liu, Guanglu; Zhang, Hui; Wang, Yahui","Diamine-mediated N<sup>2</sup>-selective β-selenoalkylation of triazoles with alkenes.","Chemical communications (Cambridge, England)","2020","56","20","2979","2982","10.1039/d0cc00601g","","","0.71073","MoKα","","0.0455","0.0337","","","0.065","0.0679","","","","","","1.074","","","","has coordinates","250188","2020-10-21","18:00:00",""
"7125988","14.61721","0.0001","17.96113","0.00012","27.42571","0.00018","90","","90","","90","","7200.39","0.08","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H42 F6 N4 O6 S2 -","- C29 H42 F6 N4 O6 S2 -","- C232 H336 F48 N32 O48 S16 -","8","1","","Barthes, Cécile; Duhayon, Carine; Canac, Yves; César, Vincent","N-Cyclopropenio-imidazol-2-ylidene: An N-heterocyclic carbene bearing an N-cationic substituent.","Chemical communications (Cambridge, England)","2020","56","22","3305","3308","10.1039/d0cc00477d","","","1.5418","CuKα","","0.0356","0.0348","","0.0353","0.035","0.0349","","","","","","1.1052","","","","has coordinates","250162","2020-10-21","18:00:00",""
"7125989","8.9948","0.0003","12.5902","0.0004","17.7787","0.0006","78.6427","0.0016","82.2769","0.0015","88.4754","0.0015","1956.04","0.11","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C31.5 H47 Cl2 F3 N4 O3 Pd S -","- C31.5 H47 Cl2 F3 N4 O3 Pd S -","- C63 H94 Cl4 F6 N8 O6 Pd2 S2 -","2","1","","Barthes, Cécile; Duhayon, Carine; Canac, Yves; César, Vincent","N-Cyclopropenio-imidazol-2-ylidene: An N-heterocyclic carbene bearing an N-cationic substituent.","Chemical communications (Cambridge, England)","2020","56","22","3305","3308","10.1039/d0cc00477d","","","0.71073","MoKα","","0.0533","0.0517","","0.0615","0.0602","0.06","","","","","","1.0354","","","","has coordinates","250162","2020-10-21","18:00:00",""
"7125990","15.1363","0.0008","8.9448","0.0004","26.1314","0.0013","90","","103.763","0.0015","90","","3436.4","0.3","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H41 Au Cl F3 N4 O3 S -","- C28 H41 Au Cl F3 N4 O3 S -","- C112 H164 Au4 Cl4 F12 N16 O12 S4 -","4","1","","Barthes, Cécile; Duhayon, Carine; Canac, Yves; César, Vincent","N-Cyclopropenio-imidazol-2-ylidene: An N-heterocyclic carbene bearing an N-cationic substituent.","Chemical communications (Cambridge, England)","2020","56","22","3305","3308","10.1039/d0cc00477d","","","0.71073","MoKα","","0.0192","0.0179","","0.0228","0.0212","0.0199","","","","","","1","","","","has coordinates","250162","2020-10-21","18:00:00",""
"7125991","21.948","0.002","8.33062","0.00019","20.7006","0.0008","90","","115.404","0.005","90","","3418.9","0.4","296","","296","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C30 H28 Cl2 N6 Ni O8 S2 -","- C30 H28 Cl2 N6 Ni O8 S2 -","- C120 H112 Cl8 N24 Ni4 O32 S8 -","4","1","","Inoue, Satoshi; Yan, Yin-Nan; Yamanishi, Katsunori; Kataoka, Yusuke; Kawamoto, Tatsuya","Photocatalytic and electrocatalytic hydrogen production using nickel complexes supported by hemilabile and non-innocent ligands.","Chemical communications (Cambridge, England)","2020","56","19","2829","2832","10.1039/c9cc09568c","","","0.71075","MoKα","","0.0356","0.0346","","","0.0932","0.0941","","","","","","1.06","","","","has coordinates,has disorder","250177","2020-10-21","18:00:00",""
"7125992","8.9125","0.0003","12.1348","0.0005","12.2295","0.0005","67.774","0.004","69.928","0.003","87.213","0.003","1144.97","0.09","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 Cl2 N4 Ni S2 -","- C24 H16 Cl2 N4 Ni S2 -","- C48 H32 Cl4 N8 Ni2 S4 -","2","1","","Inoue, Satoshi; Yan, Yin-Nan; Yamanishi, Katsunori; Kataoka, Yusuke; Kawamoto, Tatsuya","Photocatalytic and electrocatalytic hydrogen production using nickel complexes supported by hemilabile and non-innocent ligands.","Chemical communications (Cambridge, England)","2020","56","19","2829","2832","10.1039/c9cc09568c","","","0.71075","MoKα","","0.0429","0.0348","","","0.0859","0.0917","","","","","","1.047","","","","has coordinates","250177","2020-10-21","18:00:00",""
"7125993","10.3997","0.0002","12.7078","0.0002","13.3086","0.0003","114.49","0.002","111.726","0.002","92.4482","0.0017","1446.31","0.06","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H22 F6 N4 Ni O S2 -","- C29 H22 F6 N4 Ni O S2 -","- C58 H44 F12 N8 Ni2 O2 S4 -","2","1","","Inoue, Satoshi; Yan, Yin-Nan; Yamanishi, Katsunori; Kataoka, Yusuke; Kawamoto, Tatsuya","Photocatalytic and electrocatalytic hydrogen production using nickel complexes supported by hemilabile and non-innocent ligands.","Chemical communications (Cambridge, England)","2020","56","19","2829","2832","10.1039/c9cc09568c","","","0.71075","MoKα","","0.0329","0.031","","","0.0861","0.088","","","","","","1.059","","","","has coordinates,has disorder","250177","2020-10-21","18:00:00",""
"7125994","8.5516","0.0003","10.2011","0.0003","33.0145","0.0008","90","","90","","90","","2880.04","0.15","296","","296","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 Cl2 N4 Ni O8 S2 -","- C26 H24 Cl2 N4 Ni O8 S2 -","- C104 H96 Cl8 N16 Ni4 O32 S8 -","4","1","","Inoue, Satoshi; Yan, Yin-Nan; Yamanishi, Katsunori; Kataoka, Yusuke; Kawamoto, Tatsuya","Photocatalytic and electrocatalytic hydrogen production using nickel complexes supported by hemilabile and non-innocent ligands.","Chemical communications (Cambridge, England)","2020","56","19","2829","2832","10.1039/c9cc09568c","","","0.71075","MoKα","","0.0554","0.0505","","","0.1228","0.1271","","","","","","1.043","","","","has coordinates,has disorder","250177","2020-10-21","18:00:00",""
"7125995","11.3962","0.0004","18.9231","0.0004","12.9723","0.0004","90","","114.313","0.004","90","","2549.38","0.15","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N5 Ni O S2 -","- C27 H25 N5 Ni O S2 -","- C108 H100 N20 Ni4 O4 S8 -","4","1","","Inoue, Satoshi; Yan, Yin-Nan; Yamanishi, Katsunori; Kataoka, Yusuke; Kawamoto, Tatsuya","Photocatalytic and electrocatalytic hydrogen production using nickel complexes supported by hemilabile and non-innocent ligands.","Chemical communications (Cambridge, England)","2020","56","19","2829","2832","10.1039/c9cc09568c","","","0.71075","MoKα","","0.0569","0.0446","","","0.1132","0.122","","","","","","1.065","","","","has coordinates","250177","2020-10-21","18:00:00",""
"7125996","10.1761","0.0003","12.4123","0.0004","19.1814","0.0005","96.674","0.002","91.868","0.002","96.713","0.003","2387.24","0.12","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H50 Cl6 Co N4 Ni S2 -","- C46 H50 Cl6 Co N4 Ni S2 -","- C92 H100 Cl12 Co2 N8 Ni2 S4 -","2","1","","Inoue, Satoshi; Yan, Yin-Nan; Yamanishi, Katsunori; Kataoka, Yusuke; Kawamoto, Tatsuya","Photocatalytic and electrocatalytic hydrogen production using nickel complexes supported by hemilabile and non-innocent ligands.","Chemical communications (Cambridge, England)","2020","56","19","2829","2832","10.1039/c9cc09568c","","","0.71073","MoKα","","0.0527","0.0481","","","0.1256","0.13","","","","","","1.03","","","","has coordinates","250177","2020-10-21","18:00:00",""
"7125997","12.3345","0.0004","22.2711","0.0006","18.1248","0.0007","90","","109.54","0.004","90","","4692.2","0.3","296","","296","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H52 Cl4 Co N4 Ni S2 -","- C46 H52 Cl4 Co N4 Ni S2 -","- C184 H208 Cl16 Co4 N16 Ni4 S8 -","4","1","","Inoue, Satoshi; Yan, Yin-Nan; Yamanishi, Katsunori; Kataoka, Yusuke; Kawamoto, Tatsuya","Photocatalytic and electrocatalytic hydrogen production using nickel complexes supported by hemilabile and non-innocent ligands.","Chemical communications (Cambridge, England)","2020","56","19","2829","2832","10.1039/c9cc09568c","","","0.71073","MoKα","","0.0863","0.0767","","","0.2118","0.2248","","","","","","1.043","","","","has coordinates,has disorder","250177","2020-10-21","18:00:00",""
"7125998","15.7754","0.0007","8.5582","0.0004","11.6197","0.0005","90","","107.162","0.001","90","","1498.91","0.12","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Br N O2 -","- C17 H16 Br N O2 -","- C68 H64 Br4 N4 O8 -","4","1","","Li, Xingjun; Wang, Jiang; Xie, Xiong; Dai, Wenhao; Han, Xu; Chen, Kaixian; Liu, Hong","Ir(iii)-Catalyzed direct C-H functionalization of N-phenylacetamide with α-diazo quinones: a novel strategy for producing 2-hydroxy-2'-amino-1,2'-biaryl scaffolds.","Chemical communications (Cambridge, England)","2020","56","23","3441","3444","10.1039/c9cc08297b","","","0.71073","MoKα","","0.0533","0.0342","","","0.0695","0.0784","","","","","","1.042","","","","has coordinates","250196","2020-10-21","18:00:00",""
"7125999","4.2743","0.0005","15.4368","0.0016","24.939","0.003","90","","90","","90","","1645.5","0.3","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Br N O3 -","- C20 H14 Br N O3 -","- C80 H56 Br4 N4 O12 -","4","1","","Li, Xingjun; Wang, Jiang; Xie, Xiong; Dai, Wenhao; Han, Xu; Chen, Kaixian; Liu, Hong","Ir(iii)-Catalyzed direct C-H functionalization of N-phenylacetamide with α-diazo quinones: a novel strategy for producing 2-hydroxy-2'-amino-1,2'-biaryl scaffolds.","Chemical communications (Cambridge, England)","2020","56","23","3441","3444","10.1039/c9cc08297b","","","0.71073","MoKα","","0.098","0.0513","","","0.0967","0.1169","","","","","","0.997","","","","has coordinates","250196","2020-10-21","18:00:00",""
"7126000","11.5591","0.0003","7.965","0.0002","17.2106","0.0005","90","","90","","90","","1584.55","0.07","170","","170","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H18 Br N O2 -","- C18 H18 Br N O2 -","- C72 H72 Br4 N4 O8 -","4","1","","Li, Xingjun; Wang, Jiang; Xie, Xiong; Dai, Wenhao; Han, Xu; Chen, Kaixian; Liu, Hong","Ir(iii)-Catalyzed direct C-H functionalization of N-phenylacetamide with α-diazo quinones: a novel strategy for producing 2-hydroxy-2'-amino-1,2'-biaryl scaffolds.","Chemical communications (Cambridge, England)","2020","56","23","3441","3444","10.1039/c9cc08297b","","","0.71073","MoKα","","0.0382","0.0314","","","0.0688","0.0722","","","","","","1.047","","","","has coordinates","250196","2020-10-21","18:00:00",""
"7126001","8.3242","0.0003","12.6129","0.0003","28.2407","0.0008","90","","90","","90","","2965.06","0.15","170","","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 Br N O2 -","- C18 H14 Br N O2 -","- C144 H112 Br8 N8 O16 -","8","1","","Li, Xingjun; Wang, Jiang; Xie, Xiong; Dai, Wenhao; Han, Xu; Chen, Kaixian; Liu, Hong","Ir(iii)-Catalyzed direct C-H functionalization of N-phenylacetamide with α-diazo quinones: a novel strategy for producing 2-hydroxy-2'-amino-1,2'-biaryl scaffolds.","Chemical communications (Cambridge, England)","2020","56","23","3441","3444","10.1039/c9cc08297b","","","0.71073","MoKα","","0.0632","0.0354","","","0.0689","0.081","","","","","","1.014","","","","has coordinates","250196","2020-10-21","18:00:00",""
"7126002","11.25978","0.00006","5.81649","0.00004","12.31963","0.00006","90","","94.0216","0.0005","90","","804.855","0.008","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 F3 N O2 -","- C18 H18 F3 N O2 -","- C36 H36 F6 N2 O4 -","2","1","","Sun, Xi-Shang; Ou-Yang, Qiu; Xu, Shi-Ming; Wang, Xing-Heng; Tao, Hai-Yan; Chung, Lung Wa; Wang, Chun-Jiang","Asymmetric synthesis of quaternary α-trifluoromethyl α-amino acids by Ir-catalyzed allylation followed by kinetic resolution.","Chemical communications (Cambridge, England)","2020","56","22","3333","3336","10.1039/d0cc00845a","","x-ray","1.54184","CuKα","","0.0248","0.0248","","","0.0665","0.0665","","","","","","1.083","","","","has coordinates","250158","2020-10-21","18:00:00",""
"7126003","5.7902","0.0001","8.6739","0.0001","32.4787","0.0004","90","","90","","90","","1631.2","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 F3 N O2 -","- C18 H18 F3 N O2 -","- C72 H72 F12 N4 O8 -","4","1","","Sun, Xi-Shang; Ou-Yang, Qiu; Xu, Shi-Ming; Wang, Xing-Heng; Tao, Hai-Yan; Chung, Lung Wa; Wang, Chun-Jiang","Asymmetric synthesis of quaternary α-trifluoromethyl α-amino acids by Ir-catalyzed allylation followed by kinetic resolution.","Chemical communications (Cambridge, England)","2020","56","22","3333","3336","10.1039/d0cc00845a","","x-ray","1.54184","CuKα","","0.0295","0.0284","","","0.0697","0.0703","","","","","","1.063","","","","has coordinates","250158","2020-10-21","18:00:00",""
"7126004","6.7878","0.0002","22.1588","0.0009","13.8692","0.0005","90","","96.581","0.002","90","","2072.31","0.13","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cl N2 O2 S -","- C22 H19 Cl N2 O2 S -","- C88 H76 Cl4 N8 O8 S4 -","4","1","","Zhang, Jun; Yang, Min; Liu, Jin-Biao; He, Fu-Sheng; Wu, Jie","A copper-catalyzed insertion of sulfur dioxide via radical coupling.","Chemical communications (Cambridge, England)","2020","56","21","3225","3228","10.1039/d0cc00375a","","","1.34138","GaKα","","0.0466","0.0412","","","0.113","0.1173","","","","","","1.063","","","","has coordinates","250209","2020-10-21","18:00:00",""
"7126005","7.1763","0.0001","28.9373","0.0004","7.067","0.0001","90","","92.186","0.001","90","","1466.48","0.04","130","0.2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N3 O5 -","- C14 H17 N3 O5 -","- C56 H68 N12 O20 -","4","1","","Fellowes, Thomas; Harris, Benjamin L.; White, Jonathan M.","Experimental evidence of chalcogen bonding at oxygen.","Chemical communications (Cambridge, England)","2020","56","22","3313","3316","10.1039/c9cc09896h","","","1.5418","CuKα","","0.0498","0.047","","","0.1216","0.1236","","","","","","1.121","","","","has coordinates","250161","2020-10-21","18:00:00",""
"7126006","5.4911","0.0001","10.5173","0.0002","18.2619","0.0003","90","","90","","90","","1054.65","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 N3 O5 -","- C9 H9 N3 O5 -","- C36 H36 N12 O20 -","4","1","","Fellowes, Thomas; Harris, Benjamin L.; White, Jonathan M.","Experimental evidence of chalcogen bonding at oxygen.","Chemical communications (Cambridge, England)","2020","56","22","3313","3316","10.1039/c9cc09896h","","x-ray","0.71073","MoKα","","0.0478","0.0378","","","0.0985","0.1032","","","","","","1.044","","","","has coordinates","250161","2020-10-21","18:00:00",""
"7126007","6.6674","0.0001","16.3925","0.0003","11.6108","0.0002","90","","101.031","0.001","90","","1245.56","0.04","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N3 O5 -","- C12 H13 N3 O5 -","- C48 H52 N12 O20 -","4","2","","Fellowes, Thomas; Harris, Benjamin L.; White, Jonathan M.","Experimental evidence of chalcogen bonding at oxygen.","Chemical communications (Cambridge, England)","2020","56","22","3313","3316","10.1039/c9cc09896h","","x-ray","0.71073","MoKα","","0.0518","0.0409","","","0.1096","0.1153","","","","","","1.004","","","","has coordinates","250161","2020-10-21","18:00:00",""
"7126008","9.717","0.0004","10.2493","0.0005","15.4586","0.0009","85.283","0.004","75.672","0.004","66.463","0.004","1367.33","0.13","200","0.2","200","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H16 B F9 O2 -","- C33 H16 B F9 O2 -","- C66 H32 B2 F18 O4 -","2","1","","Gazis, Theodore A.; Mohajeri Thaker, Bayan A. J.; Willcox, Darren; Ould, Darren M. C.; Wenz, Jan; Rawson, Jeremy M.; Hill, Michael S.; Wirth, Thomas; Melen, Rebecca L.","1,3-Carboboration of iodonium ylides.","Chemical communications (Cambridge, England)","2020","56","22","3345","3348","10.1039/c9cc08749d","","x-ray","0.71073","MoKα","","0.078","0.0474","","","0.1307","0.1577","","","","","","0.949","","","","has coordinates","250160","2020-10-21","18:00:00",""
"7126009","7.8452","0.0004","10.557","0.0006","15.699","0.0009","71.33","0.005","75.721","0.005","84.401","0.004","1193.5","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H12 B F9 O4 -","- C23 H12 B F9 O4 -","- C46 H24 B2 F18 O8 -","2","1","","Gazis, Theodore A.; Mohajeri Thaker, Bayan A. J.; Willcox, Darren; Ould, Darren M. C.; Wenz, Jan; Rawson, Jeremy M.; Hill, Michael S.; Wirth, Thomas; Melen, Rebecca L.","1,3-Carboboration of iodonium ylides.","Chemical communications (Cambridge, England)","2020","56","22","3345","3348","10.1039/c9cc08749d","","","0.71073","MoKα","","0.0833","0.0642","","","0.1677","0.1849","","","","","","1.05","","","","has coordinates","250160","2020-10-21","18:00:00",""
"7126010","13.314","0.0016","10.1081","0.0014","18.044","0.003","90","","111.202","0.016","90","","2264","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H6 B F15 O4 -","- C23 H6 B F15 O4 -","- C92 H24 B4 F60 O16 -","4","1","","Gazis, Theodore A.; Mohajeri Thaker, Bayan A. J.; Willcox, Darren; Ould, Darren M. C.; Wenz, Jan; Rawson, Jeremy M.; Hill, Michael S.; Wirth, Thomas; Melen, Rebecca L.","1,3-Carboboration of iodonium ylides.","Chemical communications (Cambridge, England)","2020","56","22","3345","3348","10.1039/c9cc08749d","","","0.71073","MoKα","","0.148","0.0645","","","0.1215","0.1627","","","","","","1.032","","","","has coordinates","250160","2020-10-21","18:00:00",""
"7126011","9.0378","0.0008","17.4814","0.0012","14.4485","0.001","90","","96.721","0.007","90","","2267.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 B F9 O3 -","- C24 H14 B F9 O3 -","- C96 H56 B4 F36 O12 -","4","1","","Gazis, Theodore A.; Mohajeri Thaker, Bayan A. J.; Willcox, Darren; Ould, Darren M. C.; Wenz, Jan; Rawson, Jeremy M.; Hill, Michael S.; Wirth, Thomas; Melen, Rebecca L.","1,3-Carboboration of iodonium ylides.","Chemical communications (Cambridge, England)","2020","56","22","3345","3348","10.1039/c9cc08749d","","","0.71073","MoKα","","0.0984","0.061","","","0.1414","0.1613","","","","","","1.027","","","","has coordinates","250160","2020-10-21","18:00:00",""
"7126012","16.1557","0.0004","37.6672","0.0011","16.7091","0.0004","90","","104.564","0.003","90","","9841.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H15 B F15 I O2 -","- C32 H15 B F15 I O2 -","- C384 H180 B12 F180 I12 O24 -","12","3","","Gazis, Theodore A.; Mohajeri Thaker, Bayan A. J.; Willcox, Darren; Ould, Darren M. C.; Wenz, Jan; Rawson, Jeremy M.; Hill, Michael S.; Wirth, Thomas; Melen, Rebecca L.","1,3-Carboboration of iodonium ylides.","Chemical communications (Cambridge, England)","2020","56","22","3345","3348","10.1039/c9cc08749d","","","0.71073","MoKα","","0.084","0.053","","","0.1208","0.1388","","","","","","1.037","","","","has coordinates","250160","2020-10-21","18:00:00",""
"7126013","18.896","0.0005","15.0948","0.0003","22.5368","0.0007","90","","103.389","0.003","90","","6253.5","0.3","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C272 H288 N32 O64 -","16","2","","Johnson, Stuart; Kovács, Ervin; Greaney, Michael F.","Arylation and alkenylation of activated alkyl halides using sulfonamides.","Chemical communications (Cambridge, England)","2020","56","21","3222","3224","10.1039/d0cc00220h","","x-ray","0.71073","MoKα","","0.0793","0.0587","","","0.1271","0.137","","","","","","1.052","","","","has coordinates","296876","2024-12-16","17:34:43",""
"7126014","16.2354","0.0008","5.8866","0.0004","20.5287","0.0011","90","","93.513","0.004","90","","1958.3","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N3 -","- C22 H29 N3 -","- C88 H116 N12 -","4","1","","Sarkar, Tanumay; Talukdar, Kangkan; Roy, Subhasish; Punniyamurthy, Tharmalingam","Expedient iron-catalyzed stereospecific synthesis of triazines via cycloaddition of aziridines with diaziridines.","Chemical communications (Cambridge, England)","2020","56","23","3381","3384","10.1039/c9cc10089j","","","0.71073","MoKα","","0.0846","0.0532","","","0.1448","0.1764","","","","","","1.024","","","","has coordinates","250192","2020-10-21","18:00:00",""
"7126015","6.1688","0.0008","10.0037","0.0013","20.56","0.003","103.548","0.005","91.18","0.005","95.599","0.005","1226.3","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 N3 O2 -","- C28 H33 N3 O2 -","- C56 H66 N6 O4 -","2","1","","Sarkar, Tanumay; Talukdar, Kangkan; Roy, Subhasish; Punniyamurthy, Tharmalingam","Expedient iron-catalyzed stereospecific synthesis of triazines via cycloaddition of aziridines with diaziridines.","Chemical communications (Cambridge, England)","2020","56","23","3381","3384","10.1039/c9cc10089j","","","0.71073","MoKα","","0.1299","0.0668","","","0.1608","0.2092","","","","","","1.047","","","","has coordinates","250192","2020-10-21","18:00:00",""
"7126016","28.46","0.007","4.932","0.0011","24.318","0.006","90","","112.81","0.009","90","","3146.4","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N5 O2 -","- C18 H16 N5 O2 -","- C144 H128 N40 O16 -","8","1","","Borilovic, Ivana; Alonso, Pablo J.; Roubeau, Olivier; Aromí, Guillem","A bis-vanadyl coordination complex as a 2-qubit quantum gate.","Chemical communications (Cambridge, England)","2020","56","21","3139","3142","10.1039/c9cc09817h","","","0.7749","synchrotron","","0.0618","0.0514","","","0.1369","0.1454","","","","","","1.035","","","","has coordinates,has disorder","250207","2020-10-21","18:00:00",""
"7126017","12.3192","0.0008","17.5994","0.0011","14.9947","0.0008","90","","96.71","0.004","90","","3228.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H94 N10 O6 Ti2 -","- C68 H94 N10 O6 Ti2 -","- C136 H188 N20 O12 Ti4 -","2","0.5","","Borilovic, Ivana; Alonso, Pablo J.; Roubeau, Olivier; Aromí, Guillem","A bis-vanadyl coordination complex as a 2-qubit quantum gate.","Chemical communications (Cambridge, England)","2020","56","21","3139","3142","10.1039/c9cc09817h","","","0.71073","MoKα","","0.104","0.0659","","","0.1396","0.1571","","","","","","1.042","","","","has coordinates","250207","2020-10-21","18:00:00",""
"7126018","9.9438","0.0004","12.8964","0.001","13.5489","0.0006","86.435","0.005","79.518","0.004","74.129","0.005","1643.23","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H94 N10 O6 Ti2 -","- C68 H94 N10 O6 Ti2 -","- C68 H94 N10 O6 Ti2 -","1","0.5","","Borilovic, Ivana; Alonso, Pablo J.; Roubeau, Olivier; Aromí, Guillem","A bis-vanadyl coordination complex as a 2-qubit quantum gate.","Chemical communications (Cambridge, England)","2020","56","21","3139","3142","10.1039/c9cc09817h","","","0.7749","synchrotron","","0.1203","0.1166","","","0.3285","0.335","","","","","","1.044","","","","has coordinates,has disorder","250207","2020-10-21","18:00:00",""
"7126019","12.7936","0.0006","18.121","0.001","19.6033","0.001","98.602","0.003","108.452","0.003","101.429","0.003","4113.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H114 N14 O6 Ti2 -","- C88 H114 N14 O6 Ti2 -","- C176 H228 N28 O12 Ti4 -","2","1","","Borilovic, Ivana; Alonso, Pablo J.; Roubeau, Olivier; Aromí, Guillem","A bis-vanadyl coordination complex as a 2-qubit quantum gate.","Chemical communications (Cambridge, England)","2020","56","21","3139","3142","10.1039/c9cc09817h","","","0.71073","MoKα","","0.1167","0.0772","","","0.2171","0.2489","","","","","","1.066","","","","has coordinates,has disorder","250207","2020-10-21","18:00:00",""
"7126020","12.807","0.001","18.384","0.002","20.411","0.002","73.022","0.001","72.779","0.002","70.673","0.002","4230","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90.5 H116.5 N14.5 O6 V2 -","- C90.5 H116.5 N14.5 O6 V2 -","- C181 H233 N29 O12 V4 -","2","1","","Borilovic, Ivana; Alonso, Pablo J.; Roubeau, Olivier; Aromí, Guillem","A bis-vanadyl coordination complex as a 2-qubit quantum gate.","Chemical communications (Cambridge, England)","2020","56","21","3139","3142","10.1039/c9cc09817h","","","0.7749","synchrotron","","0.1008","0.0851","","","0.2503","0.2679","","","","","","1.034","","","","has coordinates,has disorder","250207","2020-10-21","18:00:00",""
"7126021","9.742","0.0002","14.4225","0.0003","28.1311","0.0005","90","","93.409","0.002","90","","3945.54","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H48 In6 N6 S12 -","- C6 H24 In6 N3 S12 -","- C24 H96 In24 N12 S48 -","4","1","","Wang, Kai-Yao; Sun, Meng; Ding, Dong; Liu, Hua-Wei; Cheng, Lin; Wang, Cheng","Di-lacunary [In<sub>6</sub>S<sub>15</sub>]<sup>12-</sup> cluster: the building block of a highly negatively charged framework for superior Sr<sup>2+</sup> adsorption capacities.","Chemical communications (Cambridge, England)","2020","56","23","3409","3412","10.1039/d0cc00441c","","","1.54178","CuKα","","0.1008","0.092","","","0.2606","0.2691","","","","","","1.049","","","","has coordinates","250199","2020-10-21","18:00:00",""
"7126022","4.41084","0.00004","4.41084","0.00004","9.06779","0.00017","90","","90","","90","","176.418","0.004","298","","298","","","","","","","","Synthesis","4","P -4 21 m","P -4 2ab","113","Sodium ethoxylate; sodium ethanolate","Sodium ethoxide","","- C2 H5 Na O -","- C2 H5 Na O -","- C4 H10 Na2 O2 -","2","0.25","","Beske, Maurice; Tapmeyer, Lukas; Schmidt, Martin U.","Crystal structure of sodium ethoxide (C<sub>2</sub>H<sub>5</sub>ONa), unravelled after 180 years.","Chemical communications (Cambridge, England)","2020","56","24","3520","3523","10.1039/c9cc08907a","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","2.58848","1.58217","","","","","","","has coordinates","250154","2020-10-21","18:00:00",""
"7126023","11.622","0.006","5.1926","0.0009","17.682","0.006","90","","104.08","0.03","90","","1035","0.7","238","2","238","2","","","101.3","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","sodium ethanolate ethanol disolvate","sodium ethoxide ethanol disolvate","","- C6 H17 Na O3 -","- C6 H17 Na O3 -","- C24 H68 Na4 O12 -","4","1","","Beske, Maurice; Tapmeyer, Lukas; Schmidt, Martin U.","Crystal structure of sodium ethoxide (C<sub>2</sub>H<sub>5</sub>ONa), unravelled after 180 years.","Chemical communications (Cambridge, England)","2020","56","24","3520","3523","10.1039/c9cc08907a","","x-ray","1.54178","CuKα","","0.1691","0.0842","","","0.2178","0.2709","","","","","","0.98","","","","has coordinates","250154","2020-10-21","18:00:00",""
"7126024","7.0041","0.0019","15.654","0.004","16.326","0.004","90","","115.405","0.008","90","","1616.9","0.7","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 Au Cl3 N3 O -","- C10 H17 Au Cl3 N3 O -","- C40 H68 Au4 Cl12 N12 O4 -","4","1","","Terrón, Angel; Buils, Jordi; Mooibroek, Tiddo J.; Barceló-Oliver, Miquel; García-Raso, Angel; Fiol, Juan J.; Frontera, Antonio","Synthesis, X-ray characterization and regium bonding interactions of a trichlorido(1-hexylcytosine)gold(iii) complex.","Chemical communications (Cambridge, England)","2020","56","24","3524","3527","10.1039/d0cc00505c","","x-ray","0.71073","MoKα","","0.1145","0.0516","","","0.0975","0.1136","","","","","","0.88","","","","has coordinates","250152","2020-10-21","18:00:00",""
"7126025","25.3657","0.0015","9.9388","0.0006","29.1779","0.0017","90","","92.788","0.002","90","","7347.2","0.8","298","2","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cu2 N8 -","- C42 H40 Cu2 N8 -","- C336 H320 Cu16 N64 -","8","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Love, Jason B.; Pankhurst, James R.; Teat, Simon J.; Parsons, Simon","Pressure-induced inclusion of neon in the crystal structure of a molecular Cu<sub>2</sub>(pacman) complex at 4.67 GPa.","Chemical communications (Cambridge, England)","2020","56","23","3449","3452","10.1039/c9cc09884d","","","0.7749","synchrotron","","0.0829","0.0757","","","0.1842","0.1949","","","","","","1.03","","","","has coordinates","250194","2020-10-21","18:00:00",""
"7126026","24.115","0.004","9.2099","0.0011","26.461","0.003","90","","83.888","0.007","90","","5843.5","1.4","298","2","298","2","","","5.81","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cu2 N8 Ne3.5 -","- C42 H40 Cu2 N8 Ne3.5 -","- C336 H320 Cu16 N64 Ne28 -","8","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Love, Jason B.; Pankhurst, James R.; Teat, Simon J.; Parsons, Simon","Pressure-induced inclusion of neon in the crystal structure of a molecular Cu<sub>2</sub>(pacman) complex at 4.67 GPa.","Chemical communications (Cambridge, England)","2020","56","23","3449","3452","10.1039/c9cc09884d","","","0.49594","synchrotron","","0.0912","0.0703","","","0.1766","0.1892","","","","","","0.981","","","","has coordinates","250194","2020-10-21","18:00:00",""
"7126027","24.808","0.006","9.6971","0.0012","27.648","0.003","90","","92.073","0.004","90","","6646.8","1.9","298","2","298","2","","","1.3","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cu2 N8 -","- C42 H40 Cu2 N8 -","- C336 H320 Cu16 N64 -","8","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Love, Jason B.; Pankhurst, James R.; Teat, Simon J.; Parsons, Simon","Pressure-induced inclusion of neon in the crystal structure of a molecular Cu<sub>2</sub>(pacman) complex at 4.67 GPa.","Chemical communications (Cambridge, England)","2020","56","23","3449","3452","10.1039/c9cc09884d","","","0.49594","synchrotron","","0.1296","0.0994","","","0.2556","0.2829","","","","","","1.037","","","","has coordinates","250194","2020-10-21","18:00:00",""
"7126028","24.215","0.006","9.2391","0.0016","26.599","0.005","90","","84.042","0.008","90","","5919","2","298","2","298.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cu2 N8 Ne3.5 -","- C42 H40 Cu2 N8 Ne3.5 -","- C336 H320 Cu16 N64 Ne28 -","8","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Love, Jason B.; Pankhurst, James R.; Teat, Simon J.; Parsons, Simon","Pressure-induced inclusion of neon in the crystal structure of a molecular Cu<sub>2</sub>(pacman) complex at 4.67 GPa.","Chemical communications (Cambridge, England)","2020","56","23","3449","3452","10.1039/c9cc09884d","","","0.49594","synchrotron","","0.0731","0.0445","","","0.095","0.1007","","","","","","0.938","","","","has coordinates","250194","2020-10-21","18:00:00",""
"7126029","25.1863","0.0018","9.9249","0.0007","28.57","0.002","90","","91.745","0.003","90","","7138.4","0.9","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cu2 N8 -","- C42 H40 Cu2 N8 -","- C336 H320 Cu16 N64 -","8","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Love, Jason B.; Pankhurst, James R.; Teat, Simon J.; Parsons, Simon","Pressure-induced inclusion of neon in the crystal structure of a molecular Cu<sub>2</sub>(pacman) complex at 4.67 GPa.","Chemical communications (Cambridge, England)","2020","56","23","3449","3452","10.1039/c9cc09884d","","","0.7749","synchrotron","","0.067","0.0543","","","0.1366","0.1477","","","","","","1.045","","","","has coordinates","250194","2020-10-21","18:00:00",""
"7126030","24.259","0.006","9.2882","0.0015","26.841","0.004","90","","84.039","0.008","90","","6015","2","298","2","298","2","","","4.67","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cu2 N8 Ne3.5 -","- C42 H40 Cu2 N8 Ne3.5 -","- C336 H320 Cu16 N64 Ne28 -","8","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Love, Jason B.; Pankhurst, James R.; Teat, Simon J.; Parsons, Simon","Pressure-induced inclusion of neon in the crystal structure of a molecular Cu<sub>2</sub>(pacman) complex at 4.67 GPa.","Chemical communications (Cambridge, England)","2020","56","23","3449","3452","10.1039/c9cc09884d","","","0.49594","synchrotron","","0.1247","0.0803","","","0.1687","0.1914","","","","","","1.085","","","","has coordinates","250194","2020-10-21","18:00:00",""
"7126031","23.997","0.003","9.1398","0.0008","26.116","0.0018","90","","83.75","0.005","90","","5693.9","1","298","2","298","2","","","6.9","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cu2 N8 Ne3.5 -","- C42 H40 Cu2 N8 Ne3.5 -","- C336 H320 Cu16 N64 Ne28 -","8","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Love, Jason B.; Pankhurst, James R.; Teat, Simon J.; Parsons, Simon","Pressure-induced inclusion of neon in the crystal structure of a molecular Cu<sub>2</sub>(pacman) complex at 4.67 GPa.","Chemical communications (Cambridge, England)","2020","56","23","3449","3452","10.1039/c9cc09884d","","","0.49594","synchrotron","","0.0992","0.0785","","","0.1973","0.2112","","","","","","0.961","","","","has coordinates","250194","2020-10-21","18:00:00",""
"7126032","23.811","0.007","9.0709","0.0019","25.766","0.005","90","","83.532","0.007","90","","5530","2","298","2","298","2","","","8.13","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cu2 N8 Ne3.5 -","- C42 H40 Cu2 N8 Ne3.5 -","- C336 H320 Cu16 N64 Ne28 -","8","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Love, Jason B.; Pankhurst, James R.; Teat, Simon J.; Parsons, Simon","Pressure-induced inclusion of neon in the crystal structure of a molecular Cu<sub>2</sub>(pacman) complex at 4.67 GPa.","Chemical communications (Cambridge, England)","2020","56","23","3449","3452","10.1039/c9cc09884d","","","0.49594","synchrotron","","0.1123","0.0653","","","0.1473","0.1623","","","","","","0.923","","","","has coordinates","250194","2020-10-21","18:00:00",""
"7126033","24.281","0.003","9.4519","0.0006","26.2355","0.0015","90","","91.553","0.002","90","","6018.9","0.9","298","2","298","2","","","3.46","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cu2 N8 -","- C42 H40 Cu2 N8 -","- C336 H320 Cu16 N64 -","8","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Love, Jason B.; Pankhurst, James R.; Teat, Simon J.; Parsons, Simon","Pressure-induced inclusion of neon in the crystal structure of a molecular Cu<sub>2</sub>(pacman) complex at 4.67 GPa.","Chemical communications (Cambridge, England)","2020","56","23","3449","3452","10.1039/c9cc09884d","","","0.49594","synchrotron","","0.0529","0.048","","","0.1288","0.1338","","","","","","1.104","","","","has coordinates","250194","2020-10-21","18:00:00",""
"7126034","12.782","0.0003","12.782","","8.4363","0.0002","90","","90","","90","","1378.32","0.05","230","","230","","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C18 H26 Eu F4 N5 O9 S4 -","- C18 H26 Eu F4 N5 O9 S4 -","- C36 H52 Eu2 F8 N10 O18 S8 -","2","0.25","","Zeng, Qi; Wang, Lei; Huang, Yitao; Zheng, Sai-Li; He, Yonghe; He, Jun; Liao, Wei-Ming; Xu, Gang; Zeller, Matthias; Xu, Zhengtao","An air-stable anionic two-dimensional semiconducting metal-thiolate network and its exfoliation into ultrathin few-layer nanosheets.","Chemical communications (Cambridge, England)","2020","56","25","3645","3648","10.1039/c9cc09349d","","","0.71073","MoKα","","0.0279","0.0214","","","0.0466","0.051","","","","","","1.059","","","","has coordinates,has disorder","250182","2020-10-21","18:00:00",""
"7126035","8.6582","0.0005","9.3734","0.0006","12.1489","0.0008","90.286","0.003","95.226","0.002","90.478","0.002","981.82","0.11","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H36 Ag Bi I12 N4 -","- C12 H36 Ag Bi I12 N4 -","- C12 H36 Ag Bi I12 N4 -","1","0.5","","Yao, Yunpeng; Kou, Bo; Peng, Yu; Wu, Zhenyue; Li, Lina; Wang, Sasa; Zhang, Xinyuan; Liu, Xitao; Luo, Junhua","(C<sub>3</sub>H<sub>9</sub>NI)<sub>4</sub>AgBiI<sub>8</sub>: a direct-bandgap layered double perovskite based on a short-chain spacer cation for light absorption.","Chemical communications (Cambridge, England)","2020","56","21","3206","3209","10.1039/c9cc07796k","","","0.71073","MoKα","","0.0761","0.0583","","","0.087","0.0926","","","","","","1.137","","","","has coordinates","250201","2020-10-21","18:00:00",""
"7126036","12.1765","0.0004","13.0482","0.0006","15.231","0.0005","111.513","0.004","112.548","0.004","93.946","0.003","2016.53","0.17","100","","100","","","","","","","","","4","P -1","-P 1","2","","core-modified isosmaragdyrin","","- C52 H38 F5 N3 -","- C52 H38 F5 N3 -","- C104 H76 F10 N6 -","2","1","","Das, Mainak; Chitranshi, Sangya; Murugavel, M.; Adinarayana, B.; Suresh, Cherumuttathu H.; Srinivasan, A.","Isosmaragdyrin with an N<sub>3</sub>C<sub>2</sub> core: stabilization of Rh(i) and organo-Pt(ii) complexes.","Chemical communications (Cambridge, England)","2020","56","24","3551","3554","10.1039/d0cc00214c","","x-ray","1.54184","CuKα","","0.1331","0.0804","","","0.2193","0.2602","","","","","","0.952","","","","has coordinates","250153","2020-10-21","18:00:00",""
"7126037","31.6392","0.0015","8.7956","0.0004","37.084","0.002","90","","93.548","0.005","90","","10300.2","0.9","299.2","0.4","299.2","0.4","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Py-ism-Pt","","- C52 H37 Cl F5 N3 Pt -","- C52 H37 Cl F5 N3 Pt -","- C416 H296 Cl8 F40 N24 Pt8 -","8","1","","Das, Mainak; Chitranshi, Sangya; Murugavel, M.; Adinarayana, B.; Suresh, Cherumuttathu H.; Srinivasan, A.","Isosmaragdyrin with an N<sub>3</sub>C<sub>2</sub> core: stabilization of Rh(i) and organo-Pt(ii) complexes.","Chemical communications (Cambridge, England)","2020","56","24","3551","3554","10.1039/d0cc00214c","","x-ray","1.54184","CuKα","","0.1237","0.0907","","","0.2424","0.2739","","","","","","0.994","","","","has coordinates","298703","2025-04-03","05:34:20",""
"7126038","12.7471","0.0002","24.2024","0.0004","35.7587","0.0013","90","","90","","90","","11031.9","0.5","296.87","0.1","296.87","0.1","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C54 H39 F5 N3 O2 Rh -","- C54 H38 F5 N3 O2 Rh -","- C432 H304 F40 N24 O16 Rh8 -","8","1","","Das, Mainak; Chitranshi, Sangya; Murugavel, M.; Adinarayana, B.; Suresh, Cherumuttathu H.; Srinivasan, A.","Isosmaragdyrin with an N<sub>3</sub>C<sub>2</sub> core: stabilization of Rh(i) and organo-Pt(ii) complexes.","Chemical communications (Cambridge, England)","2020","56","24","3551","3554","10.1039/d0cc00214c","","","1.54184","CuKα","","0.1123","0.1014","","","0.2736","0.2901","","","","","","1.12","","","","has coordinates","250153","2020-10-21","18:00:00",""
"7126039","17.1162","0.0016","7.7907","0.0009","42.35","0.005","90","","90.551","0.004","90","","5647","1.1","150","","150","","","","","","","","synthesis as described","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H21 N5 O2 S -","- C36 H21 N5 O2 S -","- C288 H168 N40 O16 S8 -","8","1","","Bui, Anh Thy; Philippe, Clotilde; Beau, Maxime; Richy, Nicolas; Cordier, Marie; Roisnel, Thierry; Lemiègre, Loïc; Mongin, Olivier; Paul, Frédéric; Trolez, Yann","Synthesis, characterization and unusual near-infrared luminescence of 1,1,4,4-tetracyanobutadiene derivatives.","Chemical communications (Cambridge, England)","2020","56","24","3571","3574","10.1039/c9cc09560h","","x-ray","0.71073","MoKα","","0.0527","0.0442","","","0.1156","0.123","","","","","","1.042","","","","has coordinates","250155","2020-10-21","18:00:00",""
"7126040","8.766","0.0009","26.272","0.002","11.5682","0.0009","90","","109.987","0.003","90","","2503.7","0.4","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H19 N5 O2 S -","- C32 H19 N5 O2 S -","- C128 H76 N20 O8 S4 -","4","1","","Bui, Anh Thy; Philippe, Clotilde; Beau, Maxime; Richy, Nicolas; Cordier, Marie; Roisnel, Thierry; Lemiègre, Loïc; Mongin, Olivier; Paul, Frédéric; Trolez, Yann","Synthesis, characterization and unusual near-infrared luminescence of 1,1,4,4-tetracyanobutadiene derivatives.","Chemical communications (Cambridge, England)","2020","56","24","3571","3574","10.1039/c9cc09560h","","x-ray","0.71073","MoKα","","0.0631","0.0435","","","0.0991","0.1069","","","","","","1.072","","","","has coordinates","250155","2020-10-21","18:00:00",""
"7126041","15.3383","0.0002","15.3383","0.0002","25.9466","0.0005","90","","90","","90","","6104.29","0.16","150","0.1","150","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C51 H44 Br6 P4 Rh2 -","- C51 H44 Br6 P4 Rh2 -","- C204 H176 Br24 P16 Rh8 -","4","0.5","","Hill, Anthony; Sharma, Manab; Sinha, Arup; Ward, Jas S.; Frogley, Benjamin","Semi-bridging σ-Silyls as Z-type Ligands","Chemical Communications","2020","","","","","10.1039/C9CC07763D","","x-ray","1.54184","CuKα","","0.1383","0.0944","","","0.2596","0.3215","","","","","","1.045","","","","has coordinates,has disorder","248299","2020-10-21","18:00:00",""
"7126042","11.7284","0.0003","23.9123","0.0007","12.042","0.0003","90","","93.506","0.003","90","","3370.89","0.16","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C71 H66 F6 N2 O6 P4 Rh2 S2 -","- C71 H66 F6 N2 O6 P4 Rh2 S2 -","- C142 H132 F12 N4 O12 P8 Rh4 S4 -","2","0.5","","Hill, Anthony; Sharma, Manab; Sinha, Arup; Ward, Jas S.; Frogley, Benjamin","Semi-bridging σ-Silyls as Z-type Ligands","Chemical Communications","2020","","","","","10.1039/C9CC07763D","","x-ray","1.54184","CuKα","","0.1061","0.0982","","","0.2618","0.2702","","","","","","1.062","","","","has coordinates","248299","2020-10-21","18:00:00",""
"7126043","10.9452","0.0005","14.1036","0.0007","23.4931","0.0008","81.467","0.004","76.544","0.003","69.731","0.004","3299.5","0.3","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H45 Cl9 P4 Rh2 -","- C52 H45 Cl9 P4 Rh2 -","- C104 H90 Cl18 P8 Rh4 -","2","1","","Hill, Anthony; Sharma, Manab; Sinha, Arup; Ward, Jas S.; Frogley, Benjamin","Semi-bridging σ-Silyls as Z-type Ligands","Chemical Communications","2020","","","","","10.1039/C9CC07763D","","x-ray","0.71073","MoKα","","0.1193","0.0798","","","0.1969","0.2233","","","","","","1.07","","","","has coordinates","248299","2020-10-21","18:00:00",""
"7126044","21.268","0.0004","21.268","0.0004","14.3108","0.0004","90","","90","","90","","6473.2","0.2","150","0.1","150","0.1","","","","","","","","5","P 41","P 4w","76","","","","- C52.24 H46.48 Cl4.48 P4 Rh2 -","- C52.2666 H46.5332 Cl4.5332 P4 Rh2 -","- C209.066 H186.133 Cl18.1328 P16 Rh8 -","4","1","","Hill, Anthony; Sharma, Manab; Sinha, Arup; Ward, Jas S.; Frogley, Benjamin","Semi-bridging σ-Silyls as Z-type Ligands","Chemical Communications","2020","","","","","10.1039/C9CC07763D","","x-ray","0.71073","MoKα","","0.0833","0.0594","","","0.1562","0.1815","","","","","","1.089","","","","has coordinates","248299","2020-10-21","18:00:00",""
"7126045","12.59029","0.00007","15.93625","0.00008","23.78509","0.00012","90","","93.231","0.0005","90","","4764.7","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 As N3 -","- C54 H72 As N3 -","- C216 H288 As4 N12 -","4","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-arsa-1,3-butadiene radical cations and dications.","Chemical communications (Cambridge, England)","2020","56","24","3575","3578","10.1039/d0cc00624f","","x-ray","1.54184","CuKα","","0.0307","0.0269","","","0.0677","0.0705","","","","","","1.026","","","","has coordinates","250150","2020-10-21","18:00:00",""
"7126046","11.4502","0.0003","19.3524","0.0005","25.1018","0.0007","76.229","0.002","89.254","0.002","88.856","0.002","5401.1","0.3","99.99","0.16","99.99","0.16","","","","","","","","6","P -1","-P 1","2","","","","- C54 H72 As Cl4 Ga N3 -","- C54 H72 As Cl4 Ga N3 -","- C216 H288 As4 Cl16 Ga4 N12 -","4","2","","Sharma, Mahendra K.; Blomeyer, Sebastian; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-arsa-1,3-butadiene radical cations and dications.","Chemical communications (Cambridge, England)","2020","56","24","3575","3578","10.1039/d0cc00624f","","x-ray","0.71073","MoKα","","0.0956","0.055","","","0.1135","0.1294","","","","","","1.041","","","","has coordinates","250150","2020-10-21","18:00:00",""
"7126047","18.8381","0.0006","11.9051","0.0004","22.8999","0.0007","90","","101.668","0.003","90","","5029.6","0.3","100","0.11","100","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H76 As N3 -","- C57 H76 As N3 -","- C228 H304 As4 N12 -","4","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-arsa-1,3-butadiene radical cations and dications.","Chemical communications (Cambridge, England)","2020","56","24","3575","3578","10.1039/d0cc00624f","","x-ray","0.71073","MoKα","","0.1008","0.0554","","","0.1071","0.1247","","","","","","1.036","","","","has coordinates","250150","2020-10-21","18:00:00",""
"7126048","13.7117","0.0005","24.2939","0.0007","24.861","0.0008","100.452","0.002","98.045","0.003","98.408","0.003","7937.7","0.5","100.01","0.12","100.01","0.12","","","","","","","","6","P -1","-P 1","2","","","","- C57 H76 As Cl8 Ga2 N3 -","- C57 H76 As Cl8 Ga2 N3 -","- C228 H304 As4 Cl32 Ga8 N12 -","4","2","","Sharma, Mahendra K.; Blomeyer, Sebastian; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-arsa-1,3-butadiene radical cations and dications.","Chemical communications (Cambridge, England)","2020","56","24","3575","3578","10.1039/d0cc00624f","","x-ray","0.71073","MoKα","","0.0829","0.0498","","","0.1177","0.1308","","","","","","1.012","","","","has coordinates,has disorder","250150","2020-10-21","18:00:00",""
"7126049","12.6066","0.0003","23.8366","0.0005","18.7085","0.0004","90","","98.41","0.002","90","","5561.4","0.2","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H76 As Cl4 Ga N3 -","- C57 H76 As Cl4 Ga N3 -","- C228 H304 As4 Cl16 Ga4 N12 -","4","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-arsa-1,3-butadiene radical cations and dications.","Chemical communications (Cambridge, England)","2020","56","24","3575","3578","10.1039/d0cc00624f","","x-ray","0.71073","MoKα","","0.0661","0.0403","","","0.085","0.0949","","","","","","1.011","","","","has coordinates","250150","2020-10-21","18:00:00",""
"7126050","18.8893","0.0004","26.1136","0.0004","24.2536","0.0004","90","","90","","90","","11963.5","0.4","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H72 As Cl8 Ga2 N3 -","- C54 H72 As Cl8 Ga2 N3 -","- C432 H576 As8 Cl64 Ga16 N24 -","8","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-arsa-1,3-butadiene radical cations and dications.","Chemical communications (Cambridge, England)","2020","56","24","3575","3578","10.1039/d0cc00624f","","x-ray","1.54184","CuKα","","0.085","0.0676","","","0.1669","0.1792","","","","","","1.087","","","","has coordinates,has disorder","250150","2020-10-21","18:00:00",""
"7126051","10.131","0.0004","10.131","0.0004","5.9315","0.0003","90","","90","","120","","527.23","0.04","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ba3 Cl3 F6 In -","- Ba3 Cl3 F6 In -","- Ba6 Cl6 F12 In2 -","2","0.166667","","Jiang, Xiaoqing; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","In[Ba<sub>3</sub>Cl<sub>3</sub>F<sub>6</sub>]: a novel infrared-transparent molecular sieve constructed by halides.","Chemical communications (Cambridge, England)","2020","56","22","3297","3300","10.1039/d0cc00455c","","","0.71073","MoKα","","0.0212","0.0194","","","0.0413","0.0419","","","","","","1.249","","","","has coordinates","250163","2020-10-21","18:00:00",""
"7126052","7.053","0.005","18.102","0.012","11.924","0.007","90","","106.894","0.01","90","","1456.7","1.7","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C64 H60 N12 O12 -","4","1","","Pal, Pranesh; Mainkar, Prathama S.; Nayani, Kiranmai; Chandrasekhar, Srivari","Mn-catalyzed radical initiated domino transformation of alkynylated cyclohexadienones with TMSN<sub>3</sub> and O<sub>2</sub> to bicyclic azido alcohols.","Chemical communications (Cambridge, England)","2020","56","23","3453","3456","10.1039/d0cc00102c","","","0.71073","MoKα","","0.1154","0.0627","","","0.1758","0.2169","","","","","","1.06","","","","has coordinates","250198","2020-10-21","18:00:00",""
"7126053","20.9281","0.0012","22.1548","0.0012","28.9986","0.0017","90","","90","","90","","13445.4","1.3","190","","190","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C90 H100 Ag12 F36 N12 O26 S6 -","- C90 H100 Ag12 F36 N12 O26 S6 -","- C360 H400 Ag48 F144 N48 O104 S24 -","4","0.5","","Chen, Xu-Ran; Yang, Ling; Tan, Yu-Ling; Yu, Hong; Ni, Chun-Yan; Niu, Zheng; Lang, Jian-Ping","The solvent-induced isomerization of silver thiolate clusters with symmetry transformation.","Chemical communications (Cambridge, England)","2020","56","25","3649","3652","10.1039/d0cc01195a","","","0.71073","MoKα","","0.0756","0.0484","","","0.1009","0.1142","","","","","","1.064","","","","has coordinates,has disorder","250184","2020-10-21","18:00:00",""
"7126054","30.2957","0.0017","20.8495","0.001","22.4448","0.0012","90","","114.615","0.002","90","","12888.9","1.2","190","","190","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H92 Ag12 F36 N8 O26 S6 -","- C84 H92 Ag12 F35.994 N8 O26 S6 -","- C336 H368 Ag48 F143.976 N32 O104 S24 -","4","0.5","","Chen, Xu-Ran; Yang, Ling; Tan, Yu-Ling; Yu, Hong; Ni, Chun-Yan; Niu, Zheng; Lang, Jian-Ping","The solvent-induced isomerization of silver thiolate clusters with symmetry transformation.","Chemical communications (Cambridge, England)","2020","56","25","3649","3652","10.1039/d0cc01195a","","","0.71065","MoKα","","0.0608","0.0394","","","0.0869","0.0959","","","","","","1.019","","","","has coordinates,has disorder","250184","2020-10-21","18:00:00",""
"7126055","13.8315","0.0008","29.7018","0.0015","16.2995","0.0009","90","","94.93","0.002","90","","6671.4","0.6","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C82 H84 Ag12 F36 N8 O24 S6 -","- C82 H84 Ag12 F36 N8 O24 S6 -","- C164 H168 Ag24 F72 N16 O48 S12 -","2","0.5","","Chen, Xu-Ran; Yang, Ling; Tan, Yu-Ling; Yu, Hong; Ni, Chun-Yan; Niu, Zheng; Lang, Jian-Ping","The solvent-induced isomerization of silver thiolate clusters with symmetry transformation.","Chemical communications (Cambridge, England)","2020","56","25","3649","3652","10.1039/d0cc01195a","","","0.71073","MoKα","","0.1273","0.0809","","","0.2077","0.2451","","","","","","1.045","","","","has coordinates,has disorder","250184","2020-10-21","18:00:00",""
"7126056","9.6472","0.0015","9.6472","0.0015","21.411","0.003","90","","90","","90","","1992.7","0.5","120","2","120","2","","","","","","","","6","I 4","I 4","79","","","","- C41 H54 Ag F6 N4 P -","- C41 H54 Ag F6 N4 P -","- C82 H108 Ag2 F12 N8 P2 -","2","0.25","","Lee, Eunji; Hosoi, Yasuhiro; Temma, Honoka; Ju, Huiyeong; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Silver ion-induced chiral enhancement by argentivorous molecules.","Chemical communications (Cambridge, England)","2020","56","23","3373","3376","10.1039/d0cc00798f","","","0.71073","MoKα","","0.0292","0.0279","","","0.0595","0.0599","","","","","","1.048","","","","has coordinates,has disorder","250197","2020-10-21","18:00:00",""
"7126057","13.8399","0.0017","13.5554","0.0016","18.233","0.002","90","","100.627","0.002","90","","3361.9","0.7","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C37 H46 Ag B F4 N4 -","- C37 H46 Ag B F4 N4 -","- C148 H184 Ag4 B4 F16 N16 -","4","1","","Lee, Eunji; Hosoi, Yasuhiro; Temma, Honoka; Ju, Huiyeong; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Silver ion-induced chiral enhancement by argentivorous molecules.","Chemical communications (Cambridge, England)","2020","56","23","3373","3376","10.1039/d0cc00798f","","","0.71073","MoKα","","0.0617","0.06","","","0.1743","0.1781","","","","","","1.05","","","","has coordinates,has disorder","250197","2020-10-21","18:00:00",""
"7126058","9.614","0.004","9.614","0.004","21.337","0.008","90","","90","","90","","1972.2","1.4","120","2","120","2","","","","","","","","6","I 4","I 4","79","","","","- C41 H54 Ag F6 N4 P -","- C41 H54 Ag F6 N4 P -","- C82 H108 Ag2 F12 N8 P2 -","2","0.25","","Lee, Eunji; Hosoi, Yasuhiro; Temma, Honoka; Ju, Huiyeong; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Silver ion-induced chiral enhancement by argentivorous molecules.","Chemical communications (Cambridge, England)","2020","56","23","3373","3376","10.1039/d0cc00798f","","","0.71073","MoKα","","0.0451","0.044","","","0.1141","0.1151","","","","","","1.02","","","","has coordinates,has disorder","250197","2020-10-21","18:00:00",""
"7126059","8.7797","0.0007","19.0092","0.0015","12.9597","0.001","90","","90.5449","0.0016","90","","2162.8","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H62 N6 O8 Zn -","- C43 H62 N6 O8 Zn -","- C86 H124 N12 O16 Zn2 -","2","1","","Lee, Eunji; Hosoi, Yasuhiro; Temma, Honoka; Ju, Huiyeong; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Silver ion-induced chiral enhancement by argentivorous molecules.","Chemical communications (Cambridge, England)","2020","56","23","3373","3376","10.1039/d0cc00798f","","","0.71073","MoKα","","0.0965","0.0555","","","0.1182","0.1404","","","","","","1.012","","","","has coordinates","250197","2020-10-21","18:00:00",""
"7126060","13.8896","0.0012","14.0055","0.0012","37.666","0.003","90","","90","","90","","7327.2","1.1","90","2","90","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C37 H42 Ag F10 N4 P -","- C37 H42 Ag F10 N4 P -","- C296 H336 Ag8 F80 N32 P8 -","8","1","","Lee, Eunji; Hosoi, Yasuhiro; Temma, Honoka; Ju, Huiyeong; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Silver ion-induced chiral enhancement by argentivorous molecules.","Chemical communications (Cambridge, England)","2020","56","23","3373","3376","10.1039/d0cc00798f","","","0.71073","MoKα","","0.0296","0.0293","","","0.0812","0.0829","","","","","","1.047","","","","has coordinates,has disorder","250197","2020-10-21","18:00:00",""
"7126061","9.493","0.004","8.9361","0.0012","13.533","0.01","90","","96.47","0.05","90","","1140.7","1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 B N -","- C16 H12 B N -","- C64 H48 B4 N4 -","4","1","","Abengózar, Alberto; Valencia, Isabel; Otárola, Guillermo G; Sucunza, David; García-García, Patricia; Pérez-Redondo, Adrián; Mendicuti, Francisco; Vaquero, Juan J.","Expanding the BN-embedded PAH family: 4a-aza-12a-borachrysene.","Chemical communications (Cambridge, England)","2020","56","25","3669","3672","10.1039/c9cc09998k","","x-ray","0.71073","MoKα","","0.1314","0.0652","","","0.153","0.1919","","","","","","1.027","","","","has coordinates","250185","2020-10-21","18:00:00",""
"7126062","11.895","0.006","13.566","0.006","21.429","0.01","89.762","0.005","74.368","0.005","73.348","0.005","3180","3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C154 H122 Cl6 O16 -","- C154 H122 Cl6 O16 -","- C154 H122 Cl6 O16 -","1","0.5","","Shimoyama, Daisuke; Sekiya, Ryo; Haino, Takeharu","Upper-rim functionalization and supramolecular polymerization of a feet-to-feet-connected biscavitand.","Chemical communications (Cambridge, England)","2020","56","26","3733","3736","10.1039/d0cc00933d","","","0.71073","MoKα","","0.2483","0.149","","","0.3844","0.4297","","","","","","1.283","","","","has coordinates,has disorder","250175","2020-10-21","18:00:00",""
"7126063","13.4923","0.0009","19.9659","0.0014","24.448","0.0016","102.869","0.004","97.74","0.004","94.707","0.004","6319.1","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H128 N25 Nd O88 Si2 W22 -","- C51 H103 N23 Nd O86.2 Si2 W22 -","- C102 H206 N46 Nd2 O172.4 Si4 W44 -","2","1","","Nie, Yan-Mei; Li, Sang-Hao; Lin, Ming-Yuan; Yan, Jun","A micro-environment tuning approach for enhancing the catalytic capabilities of lanthanide containing polyoxometalate in the cyanosilylation of ketones.","Chemical communications (Cambridge, England)","2020","56","26","3809","3812","10.1039/d0cc01216e","","","0.71073","MoKα","","0.044","0.0311","","","0.063","0.0672","","","","","","1.08","","","","has coordinates","250176","2020-10-21","18:00:00",""
"7126064","15.3728","0.0004","15.4794","0.0004","15.4872","0.0004","61.894","0.003","68.689","0.002","61.905","0.003","2819.87","0.16","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C94 H46 Ag13 F36 N12 -","- C94 H46 Ag13 F36 N12 -","- C94 H46 Ag13 F36 N12 -","1","0.5","","Peng, Su-Kao; Lu, Zhou; Xie, Mo; Huang, Yong-Liang; Luo, Dong; Wang, Jia-Nan; Zhu, Xiao-Wei; Li, Xue; Zhou, Xiao-Ping; Li, Dan","Unexpected structural transformation into noria-like Ag<sub>13</sub> metal clusters and a copper-doping induced boost in photoluminescence.","Chemical communications (Cambridge, England)","2020","56","35","4789","4792","10.1039/c9cc09818f","","x-ray","0.71073","MoKα","","0.0452","0.0342","","","0.0756","0.0795","","","","","","1.013","","","","has coordinates,has disorder","251583","2020-10-21","18:00:00",""
"7126065","15.4952","0.0004","15.5896","0.0003","15.5997","0.0003","61.283","0.002","67.64","0.002","61.42","0.002","2846.14","0.13","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C94 H46 Ag11.5 Cu1.5 F36 N12 -","- C94 H46 Ag11.5 Cu1.5 F36 N12 -","- C94 H46 Ag11.5 Cu1.5 F36 N12 -","1","0.5","","Peng, Su-Kao; Lu, Zhou; Xie, Mo; Huang, Yong-Liang; Luo, Dong; Wang, Jia-Nan; Zhu, Xiao-Wei; Li, Xue; Zhou, Xiao-Ping; Li, Dan","Unexpected structural transformation into noria-like Ag<sub>13</sub> metal clusters and a copper-doping induced boost in photoluminescence.","Chemical communications (Cambridge, England)","2020","56","35","4789","4792","10.1039/c9cc09818f","","x-ray","1.54184","CuKα","","0.0674","0.0631","","","0.1731","0.1759","","","","","","1.05","","","","has coordinates,has disorder","251583","2020-10-21","18:00:00",""
"7126066","15.5019","0.0004","15.7093","0.0004","15.9495","0.0006","60.608","0.003","65.701","0.003","61.289","0.003","2888.52","0.18","100","10","100","10","","","","","","","","6","P -1","-P 1","2","","","","- C94 H46 Ag11.96 Cu F36 N12 -","- C94 H46 Ag12.046 Cu0.902 F36 N12 -","- C94 H46 Ag12.046 Cu0.902 F36 N12 -","1","0.5","","Peng, Su-Kao; Lu, Zhou; Xie, Mo; Huang, Yong-Liang; Luo, Dong; Wang, Jia-Nan; Zhu, Xiao-Wei; Li, Xue; Zhou, Xiao-Ping; Li, Dan","Unexpected structural transformation into noria-like Ag<sub>13</sub> metal clusters and a copper-doping induced boost in photoluminescence.","Chemical communications (Cambridge, England)","2020","56","35","4789","4792","10.1039/c9cc09818f","","","1.54184","CuKα","","0.0955","0.0876","","","0.2459","0.2533","","","","","","1.038","","","","has coordinates,has disorder","251583","2020-10-21","18:00:00",""
"7126067","7.994","0.0009","5.8548","0.0006","25.946","0.002","90","","92.333","0.01","90","","1213.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl N S -","- C14 H10 Cl N S -","- C56 H40 Cl4 N4 S4 -","4","1","","Reddy, Mandapati Bhargava; Anandhan, Ramasamy","Visible light initiated amino group ortho-directed copper(i)-catalysed aerobic oxidative C(sp)-S coupling reaction: synthesis of substituted 2-phenylbenzothiazoles via thia-Wolff rearrangement.","Chemical communications (Cambridge, England)","2020","56","26","3781","3784","10.1039/d0cc00815j","","","0.71073","MoKα","","0.1275","0.0675","","","0.1397","0.1724","","","","","","1.05","","","","has coordinates","250173","2020-10-21","18:00:00",""
"7126068","6.4039","0.0004","49.826","0.003","9.4014","0.0005","90","","90.163","0.002","90","","2999.8","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","anti-5-[2-(4-trifluoromethylphenyl)isoindoline-1,3-dionyl]methyl dispiro[tricyclo [3.3.1.13,7]decane-2,3'-[1,2]dioxetane-4',2''-tricyclo[3.3.1.13,7]decan]-5-carboxylate","","- C37 H36 F3 N O6 -","- C37 H36 F3 N O6 -","- C148 H144 F12 N4 O24 -","4","1","","Matsuhashi, Chihiro; Ueno, Takuya; Uekusa, Hidehiro; Sato-Tomita, Ayana; Ichiyanagi, Kouhei; Maki, Shojiro; Hirano, Takashi","Isomeric difference in the crystalline-state chemiluminescence property of an adamantylideneadamantane 1,2-dioxetane with a phthalimide chromophore.","Chemical communications (Cambridge, England)","2020","56","23","3369","3372","10.1039/c9cc10012a","","x-ray","0.71075","MoKα","","0.0998","0.0649","","","0.1608","0.1866","","","","","","1.039","","","","has coordinates","250193","2020-10-21","18:00:00",""
"7126069","6.847","0.002","9.989","0.003","23.661","0.008","81.861","0.013","81.721","0.011","71.02","0.02","1506.6","0.8","93","2","93","2","","","","","","","","5","P -1","-P 1","2","Syn-5-[2-(4-trifluoromethylphenyl)isoindoline-1,3-dionyl]methyl dispiro[tricyclo [3.3.1.13,7]decane-2,3'-[1,2]dioxetane-4',2''-tricyclo[3.3.1.13,7]decan]-5-carboxylate","Syn-5-[2-(4-trifluoromethylphenyl)isoindoline-1,3-dionyl]methyl dispiro[tricyclo [3.3.1.13,7]decane-2,3'-[1,2]dioxetane-4',2''-tricyclo[3.3.1.13,7]decan]-5-carboxylate","","- C37 H36 F3 N O6 -","- C37 H36 F3 N O6 -","- C74 H72 F6 N2 O12 -","2","1","","Matsuhashi, Chihiro; Ueno, Takuya; Uekusa, Hidehiro; Sato-Tomita, Ayana; Ichiyanagi, Kouhei; Maki, Shojiro; Hirano, Takashi","Isomeric difference in the crystalline-state chemiluminescence property of an adamantylideneadamantane 1,2-dioxetane with a phthalimide chromophore.","Chemical communications (Cambridge, England)","2020","56","23","3369","3372","10.1039/c9cc10012a","","","0.71075","MoKα","","0.4605","0.1103","","","0.2366","0.3699","","","","","","0.719","","","","has coordinates","250193","2020-10-21","18:00:00",""
"7126070","16.718","0.003","13.417","0.002","22.998","0.004","90","","101.935","0.002","90","","5047.1","1.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H40 Cl2 Co2 N10 O16 -","- C47 H40 Cl2 Co2 N10 O16 -","- C188 H160 Cl8 Co8 N40 O64 -","4","0.5","","Chai, Xiaomin; Huang, Hai-Hua; Liu, Huiping; Ke, Zhuofeng; Yong, Wen-Wen; Zhang, Ming-Tian; Cheng, Yuan-Sheng; Wei, Xian-Wen; Zhang, Liyan; Yuan, Guozan","Highly efficient and selective photocatalytic CO<sub>2</sub> to CO conversion in aqueous solution.","Chemical communications (Cambridge, England)","2020","56","27","3851","3854","10.1039/d0cc00879f","","","0.71073","MoKα","","0.1082","0.0751","","","0.2251","0.2523","","","","","","1.058","","","","has coordinates","250168","2020-10-21","18:00:00",""
"7126071","15.885","0.008","13.472","0.006","23.262","0.01","90","","100.741","0.012","90","","4891","4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 Cl2 Fe2 N10 O12 -","- C46 H40 Cl2 Fe2 N10 O12 -","- C184 H160 Cl8 Fe8 N40 O48 -","4","0.5","","Chai, Xiaomin; Huang, Hai-Hua; Liu, Huiping; Ke, Zhuofeng; Yong, Wen-Wen; Zhang, Ming-Tian; Cheng, Yuan-Sheng; Wei, Xian-Wen; Zhang, Liyan; Yuan, Guozan","Highly efficient and selective photocatalytic CO<sub>2</sub> to CO conversion in aqueous solution.","Chemical communications (Cambridge, England)","2020","56","27","3851","3854","10.1039/d0cc00879f","","","0.71073","MoKα","","0.2025","0.0868","","","0.221","0.296","","","","","","1","","","","has coordinates","250168","2020-10-21","18:00:00",""
"7126072","9.033","0.003","11.082","0.004","24.474","0.009","90","","90","","90","","2449.9","1.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Cl Mn N5 O6 -","- C24 H23 Cl Mn N5 O6 -","- C96 H92 Cl4 Mn4 N20 O24 -","4","1","","Chai, Xiaomin; Huang, Hai-Hua; Liu, Huiping; Ke, Zhuofeng; Yong, Wen-Wen; Zhang, Ming-Tian; Cheng, Yuan-Sheng; Wei, Xian-Wen; Zhang, Liyan; Yuan, Guozan","Highly efficient and selective photocatalytic CO<sub>2</sub> to CO conversion in aqueous solution.","Chemical communications (Cambridge, England)","2020","56","27","3851","3854","10.1039/d0cc00879f","","","0.71073","MoKα","","0.0694","0.0546","","","0.1573","0.1702","","","","","","1.024","","","","has coordinates","250168","2020-10-21","18:00:00",""
"7126073","13.82","0.03","14.61","0.04","14.99","0.04","62.12","0.03","76.15","0.04","71.48","0.04","2522","11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Cl Cu N5 O6 -","- C24 H20 Cl Cu N5 O6 -","- C96 H80 Cl4 Cu4 N20 O24 -","4","2","","Chai, Xiaomin; Huang, Hai-Hua; Liu, Huiping; Ke, Zhuofeng; Yong, Wen-Wen; Zhang, Ming-Tian; Cheng, Yuan-Sheng; Wei, Xian-Wen; Zhang, Liyan; Yuan, Guozan","Highly efficient and selective photocatalytic CO<sub>2</sub> to CO conversion in aqueous solution.","Chemical communications (Cambridge, England)","2020","56","27","3851","3854","10.1039/d0cc00879f","","","0.71073","MoKα","","0.1552","0.0852","","","0.222","0.2835","","","","","","0.933","","","","has coordinates","294326","2024-09-02","09:37:26",""
"7126074","12.15","0.006","13.633","0.007","14.455","0.007","90","","107.636","0.008","90","","2282","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 Cl N5 Ni O6 -","- C23 H20 Cl N5 Ni O6 -","- C92 H80 Cl4 N20 Ni4 O24 -","4","1","","Chai, Xiaomin; Huang, Hai-Hua; Liu, Huiping; Ke, Zhuofeng; Yong, Wen-Wen; Zhang, Ming-Tian; Cheng, Yuan-Sheng; Wei, Xian-Wen; Zhang, Liyan; Yuan, Guozan","Highly efficient and selective photocatalytic CO<sub>2</sub> to CO conversion in aqueous solution.","Chemical communications (Cambridge, England)","2020","56","27","3851","3854","10.1039/d0cc00879f","","","0.71073","MoKα","","0.1466","0.1071","","","0.2637","0.3124","","","","","","1.01","","","","has coordinates","250168","2020-10-21","18:00:00",""
"7126075","13.9788","0.0002","16.4794","0.0002","37.2813","0.0006","85.933","0.001","84.334","0.001","70.868","0.001","8067.4","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H138 Cl16 Dy6 K4 O6 -","- C84 H138 Cl16 Dy6 K4 O6 -","- C252 H414 Cl48 Dy18 K12 O18 -","3","1.5","","Wu, Jianfeng; Demeshko, Serhiy; Dechert, Sebastian; Meyer, Franc","Hexanuclear [Cp*Dy]<sub>6</sub> single-molecule magnet.","Chemical communications (Cambridge, England)","2020","56","27","3887","3890","10.1039/c9cc09774k","","","0.71073","MoKα","","0.0439","0.0372","","","0.0982","0.1059","","","","","","1.049","","","","has coordinates,has disorder","250170","2020-10-21","18:00:00",""
"7126076","25.9806","0.0009","24.253","0.0008","26.5964","0.0008","90","","97.253","0.002","90","","16624.5","0.9","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C112 H80 Cl2 -","- C112 H80 Cl2 -","- C896 H640 Cl16 -","8","2","","Yu, Jie; Tang, Chunlin; Gu, Xinggui; Zheng, Xiaoyan; Yu, Zhen-Qiang; He, Zikai; Li, Xin-Gui; Tang, Ben Zhong","Highly emissive phenylene-expanded [5]radialene.","Chemical communications (Cambridge, England)","2020","56","27","3911","3914","10.1039/d0cc00122h","","","1.54184","CuKα","","0.1439","0.0945","","","0.2318","0.268","","","","","","1.038","","","","has coordinates,has disorder","250169","2020-10-21","18:00:00",""
"7126077","25.2486","0.0005","15.0232","0.0003","39.512","0.0008","90","","95.365","0.001","90","","14921.8","0.5","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C129 H56 N4 Ni Sc1.75 U0.88 -","- C129 H56 N4 Ni Sc1.7538 U0.8769 -","- C1032 H448 N32 Ni8 Sc14.0304 U7.0152 -","8","1","","Li, Xiaomeng; Yao, Yang-Rong; Yang, Wei; Zhuang, Jiaxin; Echegoyen, Luis; Chen, Ning","Crystallographic and spectroscopic characterization of a mixed actinide-lanthanide carbide cluster stabilized inside an I<sub>h</sub>(7)-C<sub>80</sub> fullerene cage.","Chemical communications (Cambridge, England)","2020","56","27","3867","3870","10.1039/d0cc00133c","","","0.77491","synchrotron","","0.0828","0.0724","","","0.1897","0.1994","","","","","","1.038","","","","has coordinates,has disorder","250167","2020-10-21","18:00:00",""
"7126078","6.1114","0.0003","8.7281","0.0004","20.9657","0.001","80.025","0.003","89.183","0.003","88.02","0.003","1100.73","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 F3 N3 O2 -","- C11 H10 F3 N3 O2 -","- C44 H40 F12 N12 O8 -","4","2","","Wagner, Shana; Sudhamalla, Babu; Mannes, Philip; Sappa, Sushma; Kavoosi, Sam; Dey, Debasis; Wang, Sinan; Islam, Kabirul","Engineering bromodomains with a photoactive amino acid by engaging 'Privileged' tRNA synthetases.","Chemical communications (Cambridge, England)","2020","56","25","3641","3644","10.1039/c9cc09891g","","","1.54178","CuKα","","0.0983","0.0813","","","0.1974","0.2061","","","","","","1.876","","","","has coordinates","250181","2020-10-21","18:00:00",""
"7126079","6.9629","0.0008","27.163","0.003","11.1046","0.0013","90","","96.72","0.007","90","","2085.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 F3 N2 Ni O2 S -","- C23 H19 F3 N2 Ni O2 S -","- C92 H76 F12 N8 Ni4 O8 S4 -","4","1","","Berkefeld, Andreas; Fröhlich, Markus; Kordan, Mike; Hörner, Gerald; Schubert, Hartmut","Selective metalation of phenol-type proligands for preparative organometallic chemistry.","Chemical communications (Cambridge, England)","2020","56","28","3987","3990","10.1039/d0cc01254h","","","0.71073","MoKα","","0.0541","0.0387","","","0.0854","0.0916","","","","","","1.035","","","","has coordinates","251544","2020-10-21","18:00:00",""
"7126080","14.4635","0.0013","6.9797","0.0006","25.786","0.002","90","","100.159","0.005","90","","2562.3","0.4","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H30 F N2 Ni O2 -","- C30 H30 F N2 Ni O2 -","- C120 H120 F4 N8 Ni4 O8 -","4","1","","Berkefeld, Andreas; Fröhlich, Markus; Kordan, Mike; Hörner, Gerald; Schubert, Hartmut","Selective metalation of phenol-type proligands for preparative organometallic chemistry.","Chemical communications (Cambridge, England)","2020","56","28","3987","3990","10.1039/d0cc01254h","","","0.71073","MoKα","","0.0504","0.0362","","","0.0895","0.097","","","","","","1.049","","","","has coordinates","251544","2020-10-21","18:00:00",""
"7126081","11.9534","0.0007","13.7247","0.0007","17.1253","0.001","90","","93.572","0.001","90","","2804.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 N3 Ni O Si2 -","- C28 H37 N3 Ni O Si2 -","- C112 H148 N12 Ni4 O4 Si8 -","4","1","","Berkefeld, Andreas; Fröhlich, Markus; Kordan, Mike; Hörner, Gerald; Schubert, Hartmut","Selective metalation of phenol-type proligands for preparative organometallic chemistry.","Chemical communications (Cambridge, England)","2020","56","28","3987","3990","10.1039/d0cc01254h","","","0.71073","MoKα","","0.0314","0.0263","","","0.0787","0.0856","","","","","","1.101","","","","has coordinates","251544","2020-10-21","18:00:00",""
"7126082","23.5957","0.0007","13.6797","0.0004","26.9113","0.0008","90","","101.433","0.001","90","","8514.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 N3 Ni Si2 -","- C28 H37 N3 Ni Si2 -","- C336 H444 N36 Ni12 Si24 -","12","3","","Berkefeld, Andreas; Fröhlich, Markus; Kordan, Mike; Hörner, Gerald; Schubert, Hartmut","Selective metalation of phenol-type proligands for preparative organometallic chemistry.","Chemical communications (Cambridge, England)","2020","56","28","3987","3990","10.1039/d0cc01254h","","","0.71073","MoKα","","0.0438","0.0341","","","0.0897","0.0958","","","","","","1.048","","","","has coordinates","298328","2025-03-07","16:31:39",""
"7126083","12.8801","0.001","14.0913","0.0011","17.4958","0.0013","81.586","0.002","77.019","0.003","84.657","0.003","3055","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H70 F6 N4 Ni2 O11 S2 -","- C62 H70 F6 N4 Ni2 O11 S2 -","- C124 H140 F12 N8 Ni4 O22 S4 -","2","1","","Berkefeld, Andreas; Fröhlich, Markus; Kordan, Mike; Hörner, Gerald; Schubert, Hartmut","Selective metalation of phenol-type proligands for preparative organometallic chemistry.","Chemical communications (Cambridge, England)","2020","56","28","3987","3990","10.1039/d0cc01254h","","","0.71073","MoKα","","0.055","0.0461","","","0.1162","0.1235","","","","","","1.035","","","","has coordinates,has disorder","251544","2020-10-21","18:00:00",""
"7126084","12.054","0.005","22.253","0.008","20.28","0.008","90","","93.554","0.005","90","","5429","4","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H63 B N5 O2 Si2 Y -","- C55 H63 B N5 O2 Si2 Y -","- C220 H252 B4 N20 O8 Si8 Y4 -","4","1","","Ma, Yan; Zhai, Yuan-Qi; Ding, You-Song; Han, Tian; Zheng, Yan-Zhen","Understanding a pentagonal-bipyramidal holmium(iii) complex with a record energy barrier for magnetisation reversal.","Chemical communications (Cambridge, England)","2020","56","28","3979","3982","10.1039/d0cc00500b","","","0.71073","MoKα","","0.0557","0.0339","","","0.0752","0.0841","","","","","","1.028","","","","has coordinates","251547","2020-10-21","18:00:00",""
"7126085","21.104","0.008","25.522","0.009","11.123","0.004","90","","90","","90","","5991","4","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C70 H68 B Ho N6 O2 -","- C70 H68 B Ho N6 O2 -","- C280 H272 B4 Ho4 N24 O8 -","4","1","","Ma, Yan; Zhai, Yuan-Qi; Ding, You-Song; Han, Tian; Zheng, Yan-Zhen","Understanding a pentagonal-bipyramidal holmium(iii) complex with a record energy barrier for magnetisation reversal.","Chemical communications (Cambridge, England)","2020","56","28","3979","3982","10.1039/d0cc00500b","","","0.71073","MoKα","","0.034","0.0286","","","0.0597","0.0616","","","","","","1.045","","","","has coordinates","251547","2020-10-21","18:00:00",""
"7126086","13.665","0.002","14.335","0.002","17.329","0.003","95.521","0.002","108.465","0.002","90.85","0.002","3201.2","0.9","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C67 H75 B Ho N8 O2 Si2 -","- C67 H75 B Ho N8 O2 Si2 -","- C134 H150 B2 Ho2 N16 O4 Si4 -","2","1","","Ma, Yan; Zhai, Yuan-Qi; Ding, You-Song; Han, Tian; Zheng, Yan-Zhen","Understanding a pentagonal-bipyramidal holmium(iii) complex with a record energy barrier for magnetisation reversal.","Chemical communications (Cambridge, England)","2020","56","28","3979","3982","10.1039/d0cc00500b","","","0.71073","MoKα","","0.0367","0.0314","","","0.075","0.0779","","","","","","1.028","","","","has coordinates","251547","2020-10-21","18:00:00",""
"7126087","15.645","0.011","15.651","0.011","28.55","0.02","101.047","0.009","93.207","0.009","90.009","0.009","6850","8","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C75 H73.5 B Ho N7 O2 -","- C75 H73.5 B Ho N7 O2 -","- C300 H294 B4 Ho4 N28 O8 -","4","2","","Ma, Yan; Zhai, Yuan-Qi; Ding, You-Song; Han, Tian; Zheng, Yan-Zhen","Understanding a pentagonal-bipyramidal holmium(iii) complex with a record energy barrier for magnetisation reversal.","Chemical communications (Cambridge, England)","2020","56","28","3979","3982","10.1039/d0cc00500b","","","0.71073","MoKα","","0.0846","0.0664","","","0.1625","0.1713","","","","","","1.143","","","","has coordinates","251547","2020-10-21","18:00:00",""
"7126088","6.7672","0.0007","9.2017","0.001","15.1089","0.0011","81.431","0.007","82.868","0.007","80.818","0.009","913.54","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 Br N O2 -","- C24 H14 Br N O2 -","- C48 H28 Br2 N2 O4 -","2","1","","Liu, Jing; Ba, Dan; Chen, Yanhui; Wen, Si; Cheng, Guolin","Synthesis of 3-(2-quinolyl) chromones from ynones and quinoline N-oxides via tandem reactions under transition metal- and additive-free conditions.","Chemical communications (Cambridge, England)","2020","56","29","4078","4081","10.1039/c9cc09460a","","","0.71073","MoKα","","0.1014","0.071","","","0.1675","0.1868","","","","","","0.952","","","","has coordinates","251542","2020-10-21","18:00:00",""
"7126089","9.3098","0.0015","10.3197","0.0017","18.503","0.003","90","","91.529","0.002","90","","1777","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Zhang, Cong-Hai; Huang, Rong; Qing, Xia; Lin, Jun; Yan, Sheng-Jiao","Cascade reaction of isatins with nitro-substituted enamines: highly selective synthesis of functionalized (Z)-3-(1-(arylamino)-2-oxoarylidene)indolin-2-ones.","Chemical communications (Cambridge, England)","2020","56","24","3488","3491","10.1039/d0cc00923g","","","0.71073","MoKα","","0.1567","0.0494","","","0.094","0.1189","","","","","","0.864","","","","has coordinates","250151","2020-10-21","18:00:00",""
"7126090","12.3092","0.0005","12.735","0.0005","20.557","0.0009","90","","92.955","0.001","90","","3218.2","0.2","123","0.1","123","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H94 Mn2 N6 -","- C72 H94 Mn2 N6 -","- C144 H188 Mn4 N12 -","2","0.5","","Nguyen, Thao T.; Kim, Jun-Hyeong; Kim, Suyeon; Oh, Changjin; Flores, Marco; Groy, Thomas L.; Baik, Mu-Hyun; Trovitch, Ryan J.","Scope and mechanism of nitrile dihydroboration mediated by a β-diketiminate manganese hydride catalyst.","Chemical communications (Cambridge, England)","2020","56","28","3959","3962","10.1039/c9cc09921b","","","0.71073","MoKα","","0.062","0.0486","","","0.12","0.1269","","","","","","1.065","","","","has coordinates","251546","2020-10-21","18:00:00",""
"7126091","13.1968","0.0003","17.0333","0.0004","19.6066","0.0005","90","","101.946","0.001","90","","4311.82","0.18","170","2","170.01","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 N2 -","- C40 H30 N2 -","- C240 H180 N12 -","6","1.5","","Zhang, Chi; Jiao, Tianyu; Tong, Lu; Wang, Hongye; Pan, Yuanjiang; Li, Hao","High yielding self-assembly favored by preorganization.","Chemical communications (Cambridge, England)","2020","56","27","3903","3906","10.1039/d0cc00898b","","","0.71073","MoKα","","0.1305","0.0778","","","0.1864","0.2185","","","","","","1.036","","","","has coordinates","250171","2020-10-21","18:00:00",""
"7126092","13.119","0.003","15.227","0.002","15.449","0.004","106.247","0.006","109.671","0.008","101.252","0.007","2643.3","1","170","2","169.95","","","","","","","","","4","P -1","-P 1","2","","","","- C62 H53 Cl6 N3 -","- C62 H53 Cl6 N3 -","- C124 H106 Cl12 N6 -","2","1","","Zhang, Chi; Jiao, Tianyu; Tong, Lu; Wang, Hongye; Pan, Yuanjiang; Li, Hao","High yielding self-assembly favored by preorganization.","Chemical communications (Cambridge, England)","2020","56","27","3903","3906","10.1039/d0cc00898b","","","1.34139","GaKα","","0.1661","0.0743","","","0.1785","0.2282","","","","","","1.022","","","","has coordinates","250171","2020-10-21","18:00:00",""
"7126093","11.337","0.006","20.266","0.011","26.705","0.016","71.662","0.016","84.799","0.018","86.827","0.016","5798","6","170","2","169.98","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H54 Cl9 N3 -","- C63 H54 Cl9 N3 -","- C252 H216 Cl36 N12 -","4","2","","Zhang, Chi; Jiao, Tianyu; Tong, Lu; Wang, Hongye; Pan, Yuanjiang; Li, Hao","High yielding self-assembly favored by preorganization.","Chemical communications (Cambridge, England)","2020","56","27","3903","3906","10.1039/d0cc00898b","","","1.34139","GaKα","","0.2248","0.125","","","0.2868","0.3581","","","","","","0.821","","","","has coordinates","250171","2020-10-21","18:00:00",""
"7126094","13.4577","0.0003","13.4577","0.0003","20.3224","0.0004","90","","90","","120","","3187.48","0.12","296","2","296.15","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C26 H48 Co8 K N8 O12 S2 -","- C26 H54 Co8 N8 O12 S3 -","- C78 H162 Co24 N24 O36 S9 -","3","0.166667","","Yu, You-Zhu; Guo, Yu-Hua; Zhang, Yan-Ru; Tian, Xiu-Juan; Zhang, Xian-Ming","Tetrahedral μ<sub>4</sub>-chloride and in situ generated octahedral μ<sub>6</sub>-sulfide templating Co<sub>8</sub> complexes with different distortions of the cube.","Chemical communications (Cambridge, England)","2020","56","30","4236","4239","10.1039/d0cc01320j","","","0.71073","MoKα","","0.048","0.0371","","","0.1199","0.1492","","","","","","1.242","","","","has coordinates","251569","2020-10-21","18:00:00",""
"7126095","14.8782","0.0008","14.8782","0.0008","16.9496","0.0009","90","","90","","120","","3249.3","0.3","296","2","296.15","","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- C26 H51 Cl4 Co8 N5 O12 -","- C26 H51 Cl4 Co8 N5 O12 -","- C78 H153 Cl12 Co24 N15 O36 -","3","0.166667","","Yu, You-Zhu; Guo, Yu-Hua; Zhang, Yan-Ru; Tian, Xiu-Juan; Zhang, Xian-Ming","Tetrahedral μ<sub>4</sub>-chloride and in situ generated octahedral μ<sub>6</sub>-sulfide templating Co<sub>8</sub> complexes with different distortions of the cube.","Chemical communications (Cambridge, England)","2020","56","30","4236","4239","10.1039/d0cc01320j","","","0.71073","MoKα","","0.0379","0.0284","","","0.0819","0.1198","","","","","","1.329","","","","has coordinates,has disorder","251569","2020-10-21","18:00:00",""
"7126096","25.0707","0.001","15.4308","0.0006","16.9537","0.0006","90","","105.921","0.001","90","","6307.1","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H71 Ce F12 K N6 O8 -","- C58 H71 Ce F12 K N6 O8 -","- C232 H284 Ce4 F48 K4 N24 O32 -","4","1","","Lapsheva, Ekaterina N.; Cheisson, Thibault; Álvarez Lamsfus, Carlos; Carroll, Patrick J.; Gau, Michael R.; Maron, Laurent; Schelter, Eric J.","Reactivity of Ce(iv) imido compounds with heteroallenes.","Chemical communications (Cambridge, England)","2020","56","35","4781","4784","10.1039/c9cc10052k","","","0.71073","MoKα","","0.0523","0.0395","","","0.0738","0.0789","","","","","","1.094","","","","has coordinates","251581","2020-10-21","18:00:00",""
"7126097","11.233","0.002","14.495","0.003","20.522","0.004","70.871","0.006","75.802","0.006","72.404","0.007","2969.3","1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C109 H124.5 Ce2 Cs2 F12 N14.5 O10 -","- C109 H124.5 Ce2 Cs2 F12 N14.5 O10 -","- C109 H124.5 Ce2 Cs2 F12 N14.5 O10 -","1","0.5","","Lapsheva, Ekaterina N.; Cheisson, Thibault; Álvarez Lamsfus, Carlos; Carroll, Patrick J.; Gau, Michael R.; Maron, Laurent; Schelter, Eric J.","Reactivity of Ce(iv) imido compounds with heteroallenes.","Chemical communications (Cambridge, England)","2020","56","35","4781","4784","10.1039/c9cc10052k","","","0.71073","MoKα","","0.0489","0.0379","","","0.1046","0.1119","","","","","","1.059","","","","has coordinates,has disorder","251581","2020-10-21","18:00:00",""
"7126098","32.651","0.006","17.14","0.003","23.603","0.004","90","","90","","90","","13209","4","100","","100","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C118 H160 Ce2 F12 N12 O10 Rb2 -","- C118 H160 Ce2 F12 N12 O10 Rb2 -","- C472 H640 Ce8 F48 N48 O40 Rb8 -","4","0.5","","Lapsheva, Ekaterina N.; Cheisson, Thibault; Álvarez Lamsfus, Carlos; Carroll, Patrick J.; Gau, Michael R.; Maron, Laurent; Schelter, Eric J.","Reactivity of Ce(iv) imido compounds with heteroallenes.","Chemical communications (Cambridge, England)","2020","56","35","4781","4784","10.1039/c9cc10052k","","","0.71073","MoKα","","0.0648","0.0409","","","0.0988","0.1101","","","","","","1.029","","","","has coordinates","251581","2020-10-21","18:00:00",""
"7126099","10.1864","0.0003","25.6639","0.0009","12.2342","0.0004","90","","106.406","0.001","90","","3068.08","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H47 N2 O Re -","- C35 H47 N2 O Re -","- C140 H188 N8 O4 Re4 -","4","1","","Lohrey, Trevor D.; Fostvedt, Jade I.; Bergman, Robert G.; Arnold, John","Electron acceptors promote proton-hydride tautomerism in low valent rhenium β-diketiminates.","Chemical communications (Cambridge, England)","2020","56","26","3761","3764","10.1039/c9cc09475j","","","0.7288","synchrotron","","0.0234","0.0211","","","0.0488","0.05","","","","","","1.035","","","","has coordinates","250174","2020-10-21","18:00:00",""
"7126100","13.0017","0.0005","17.4412","0.0005","13.855","0.0005","90","","98.992","0.004","90","","3103.22","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H47 N4 Re -","- C34 H47 N4 Re -","- C136 H188 N16 Re4 -","4","1","","Lohrey, Trevor D.; Fostvedt, Jade I.; Bergman, Robert G.; Arnold, John","Electron acceptors promote proton-hydride tautomerism in low valent rhenium β-diketiminates.","Chemical communications (Cambridge, England)","2020","56","26","3761","3764","10.1039/c9cc09475j","","","0.71073","MoKα","","0.0461","0.0332","","","0.0686","0.0725","","","","","","1.058","","","","has coordinates","250174","2020-10-21","18:00:00",""
"7126101","9.4458","0.0005","19.0455","0.001","10.9694","0.0006","90","","106.664","0.002","90","","1890.52","0.18","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C43 H56 N3 Re -","- C43 H57 N3 Re -","- C86 H114 N6 Re2 -","2","0.5","","Lohrey, Trevor D.; Fostvedt, Jade I.; Bergman, Robert G.; Arnold, John","Electron acceptors promote proton-hydride tautomerism in low valent rhenium β-diketiminates.","Chemical communications (Cambridge, England)","2020","56","26","3761","3764","10.1039/c9cc09475j","","","0.7288","synchrotron","","0.0524","0.0521","","","0.1383","0.1388","","","","","","1.453","","","","has coordinates,has disorder","250174","2020-10-21","18:00:00",""
"7126102","10.1269","0.0003","13.1476","0.0002","29.1917","0.0006","97.319","0.001","96.976","0.002","111.49","0.002","3527.03","0.15","155","","155","","","","","","","","","7","P -1","-P 1","2","","","","- C78 H76 Cu F6 N4 O6 S2 -","- C78 H76 Cu F6 N4 O6 S2 -","- C156 H152 Cu2 F12 N8 O12 S4 -","2","1","","Kałuża, Adrianna M; Mukherjee, Soumya; Wang, Shi-Qiang; O'Hearn, Daniel J; Zaworotko, Michael J.","[Cu(4-phenylpyridine)<sub>4</sub>(trifluoromethanesulfonate)<sub>2</sub>], a Werner complex that exhibits high selectivity for o-xylene.","Chemical communications (Cambridge, England)","2020","56","13","1940","1943","10.1039/c9cc09525j","","","1.54184","CuKα","","0.069","0.0609","","","0.1666","0.1883","","","","","","1.067","","","","has coordinates,has disorder","248732","2020-10-21","18:00:00",""
"7126103","10.249","0.004","13.097","0.003","15.188","0.004","72.156","0.011","73.95","0.016","68.985","0.015","1779.4","1","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C78 H76 Cu F6 N4 O6 S2 -","- C78 H76 Cu F6 N4 O6 S2 -","- C78 H76 Cu F6 N4 O6 S2 -","1","0.5","","Kałuża, Adrianna M; Mukherjee, Soumya; Wang, Shi-Qiang; O'Hearn, Daniel J; Zaworotko, Michael J.","[Cu(4-phenylpyridine)<sub>4</sub>(trifluoromethanesulfonate)<sub>2</sub>], a Werner complex that exhibits high selectivity for o-xylene.","Chemical communications (Cambridge, England)","2020","56","13","1940","1943","10.1039/c9cc09525j","","","0.71076","MoKα","","0.081","0.0688","","","0.1793","0.1902","","","","","","1.033","","","","has coordinates,has disorder","248732","2020-10-21","18:00:00",""
"7126104","11.743","0.003","13.021","0.004","15.225","0.004","72.071","0.01","85.436","0.01","89.509","0.012","2207.6","1.1","150","","150","","","","","","","","","7","P 1","P 1","1","","","","- C46 H36 Cu F6 N4 O6 S2 -","- C46 H36 Cu F6 N4 O6 S2 -","- C92 H72 Cu2 F12 N8 O12 S4 -","2","2","","Kałuża, Adrianna M; Mukherjee, Soumya; Wang, Shi-Qiang; O'Hearn, Daniel J; Zaworotko, Michael J.","[Cu(4-phenylpyridine)<sub>4</sub>(trifluoromethanesulfonate)<sub>2</sub>], a Werner complex that exhibits high selectivity for o-xylene.","Chemical communications (Cambridge, England)","2020","56","13","1940","1943","10.1039/c9cc09525j","","","0.71076","MoKα","","0.0745","0.0636","","","0.1659","0.172","","","","","","1.042","","","","has coordinates","248732","2020-10-21","18:00:00",""
"7126105","10.166","0.002","13.051","0.003","15.236","0.004","72.382","0.007","74.26","0.007","69.168","0.006","1770.1","0.7","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C78 H76 Cu F6 N4 O6 S2 -","- C78 H76 Cu F6 N4 O6 S2 -","- C78 H76 Cu F6 N4 O6 S2 -","1","0.5","","Kałuża, Adrianna M; Mukherjee, Soumya; Wang, Shi-Qiang; O'Hearn, Daniel J; Zaworotko, Michael J.","[Cu(4-phenylpyridine)<sub>4</sub>(trifluoromethanesulfonate)<sub>2</sub>], a Werner complex that exhibits high selectivity for o-xylene.","Chemical communications (Cambridge, England)","2020","56","13","1940","1943","10.1039/c9cc09525j","","","0.71076","MoKα","","0.0747","0.0617","","","0.1599","0.1708","","","","","","1.035","","","","has coordinates,has disorder","248732","2020-10-21","18:00:00",""
"7126106","10.2443","0.0013","13.0741","0.0016","15.129","0.002","72.449","0.005","73.851","0.005","69.024","0.004","1770.7","0.4","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C78 H76 Cu F6 N4 O6 S2 -","- C78 H76 Cu F6 N4 O6 S2 -","- C78 H76 Cu F6 N4 O6 S2 -","1","0.5","","Kałuża, Adrianna M; Mukherjee, Soumya; Wang, Shi-Qiang; O'Hearn, Daniel J; Zaworotko, Michael J.","[Cu(4-phenylpyridine)<sub>4</sub>(trifluoromethanesulfonate)<sub>2</sub>], a Werner complex that exhibits high selectivity for o-xylene.","Chemical communications (Cambridge, England)","2020","56","13","1940","1943","10.1039/c9cc09525j","","","0.71076","MoKα","","0.0778","0.0653","","","0.167","0.1776","","","","","","1.023","","","","has coordinates,has disorder","248732","2020-10-21","18:00:00",""
"7126107","11.3195","0.0007","22.5808","0.0011","23.2576","0.0014","90","","90","","90","","5944.7","0.6","200","0.1","200","0.1","","","","","","","","6","I 21 21 21","I 2b 2c","24","","","","- C12 H18 Ag3 F2 O2 S2 -","- C12 H18 Ag3 F2 O2 S2 -","- C96 H144 Ag24 F16 O16 S16 -","8","1","","Wang, Jia-Yin; Li, Wen-Hua; Wei, Zhong; Zhang, Chong; Li, Ya-Hui; Dong, Xi-Yan; Xu, Gang; Zang, Shuang-Quan","A hydrophobic semiconducting metal-organic framework assembled from silver chalcogenide wires.","Chemical communications (Cambridge, England)","2020","56","14","2091","2094","10.1039/c9cc08402a","","x-ray","1.54184","CuKα","","0.1384","0.1185","","","0.3038","0.3189","","","","","","1.092","","","","has coordinates,has disorder","248733","2020-10-21","18:00:00",""
"7126108","22.5463","0.0013","7.4089","0.0005","22.2178","0.0014","90","","109.269","0.004","90","","3503.4","0.4","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 N4 -","- C46 H38 N4 -","- C184 H152 N16 -","4","1","","Chai, Danyang; Zeng, Xuan; Su, Xiaoxuan; Zhou, Changjiang; Zou, Yang; Zhong, Cheng; Gong, Shaolong; Yang, Chuluo","A simple and effective strategy to lock the quasi-equatorial conformation of acridine by H-H repulsion for highly efficient thermally activated delayed fluorescence emitters.","Chemical communications (Cambridge, England)","2020","56","15","2308","2311","10.1039/c9cc09769d","","","1.54178","CuKα","","0.116","0.0629","","","0.163","0.2062","","","","","","0.952","","","","has coordinates","248734","2020-10-21","18:00:00",""
"7126109","6.0216","0.0006","15.6695","0.0016","18.6718","0.0019","99.624","0.004","90.21","0.004","95.366","0.004","1729","0.3","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H37 N5 -","- C45 H37 N5 -","- C90 H74 N10 -","2","1","","Chai, Danyang; Zeng, Xuan; Su, Xiaoxuan; Zhou, Changjiang; Zou, Yang; Zhong, Cheng; Gong, Shaolong; Yang, Chuluo","A simple and effective strategy to lock the quasi-equatorial conformation of acridine by H-H repulsion for highly efficient thermally activated delayed fluorescence emitters.","Chemical communications (Cambridge, England)","2020","56","15","2308","2311","10.1039/c9cc09769d","","","1.54178","CuKα","","0.0648","0.0484","","","0.125","0.14","","","","","","1.031","","","","has coordinates","248734","2020-10-21","18:00:00",""
"7126110","8.6142","0.0009","15.2562","0.0015","10.0113","0.001","90","","93.761","0.004","90","","1312.9","0.2","100","1","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H25 Br N2 O6 S2 -","- C26 H25 Br N2 O6 S2 -","- C52 H50 Br2 N4 O12 S4 -","2","1","","Wu, Ju; Abou-Hamdan, Hussein; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Electrochemical synthesis of 3a-bromofuranoindolines and 3a-bromopyrroloindolines mediated by MgBr<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","11","1713","1716","10.1039/c9cc09276e","","x-ray","1.54178","CuKα","","0.0232","0.0227","","","0.0559","0.0562","","","","","","1.036","","","","has coordinates","248735","2020-10-21","18:00:00",""
"7126111","8.181","0.0002","11.7216","0.0004","11.8724","0.0003","104.188","0.002","93.217","0.002","108.402","0.003","1036.24","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H21 Bi Cl9 N3 -","- C6 H21 Bi Cl9 N3 -","- C12 H42 Bi2 Cl18 N6 -","2","1","","Li, Hui-Hui; Wang, Chang-Feng; Wu, Ya-Xing; Jiang, Fan; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Halogen substitution regulates the phase transition temperature and band gap of semiconductor compounds.","Chemical communications (Cambridge, England)","2020","56","11","1697","1700","10.1039/c9cc09477f","","","0.71073","MoKα","","0.0616","0.0404","","","0.0865","0.0916","","","","","","1.014","","","","has coordinates","248736","2020-10-21","18:00:00",""
"7126112","8.3218","0.0002","12.1968","0.0003","12.2353","0.0004","104.697","0.002","108.11","0.002","93.253","0.002","1129.25","0.06","289","2","289","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H21 Bi Br6 Cl3 N3 -","- C6 H21 Bi Br6 Cl3 N3 -","- C12 H42 Bi2 Br12 Cl6 N6 -","2","1","","Li, Hui-Hui; Wang, Chang-Feng; Wu, Ya-Xing; Jiang, Fan; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Halogen substitution regulates the phase transition temperature and band gap of semiconductor compounds.","Chemical communications (Cambridge, England)","2020","56","11","1697","1700","10.1039/c9cc09477f","","","0.71073","MoKα","","0.0736","0.0462","","","0.1056","0.1142","","","","","","1.03","","","","has coordinates,has disorder","248736","2020-10-21","18:00:00",""
"7126113","21.162","0.0015","7.9735","0.0005","11.8046","0.0007","90","","104.186","0.007","90","","1931.1","0.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C6 H24 Bi Cl6 N3 -","- C6 H24 Bi Cl6 N3 -","- C24 H96 Bi4 Cl24 N12 -","4","0.5","","Li, Hui-Hui; Wang, Chang-Feng; Wu, Ya-Xing; Jiang, Fan; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Halogen substitution regulates the phase transition temperature and band gap of semiconductor compounds.","Chemical communications (Cambridge, England)","2020","56","11","1697","1700","10.1039/c9cc09477f","","","0.71073","MoKα","","0.0751","0.0577","","","0.135","0.1427","","","","","","1.051","","","","has coordinates","248736","2020-10-21","18:00:00",""
"7126114","22.52","0.002","8.2945","0.0005","12.1353","0.0011","90","","106.123","0.009","90","","2177.6","0.3","403","2","403","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C6 H21 Bi Cl9 N3 -","- C6 H21 Bi Cl9 N3 -","- C24 H84 Bi4 Cl36 N12 -","4","0.5","","Li, Hui-Hui; Wang, Chang-Feng; Wu, Ya-Xing; Jiang, Fan; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Halogen substitution regulates the phase transition temperature and band gap of semiconductor compounds.","Chemical communications (Cambridge, England)","2020","56","11","1697","1700","10.1039/c9cc09477f","","","0.71073","MoKα","","0.0888","0.0619","","","0.1782","0.2138","","","","","","1.048","","","","has coordinates,has disorder","248736","2020-10-21","18:00:00",""
"7126115","11.773","0.0003","8.0673","0.0002","22.7281","0.0006","90","","103.72","0.002","90","","2097.04","0.09","170","2","170","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C6 H24 Bi Br6 N3 -","- C6 H24 Bi Br6 N3 -","- C24 H96 Bi4 Br24 N12 -","4","1","","Li, Hui-Hui; Wang, Chang-Feng; Wu, Ya-Xing; Jiang, Fan; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Halogen substitution regulates the phase transition temperature and band gap of semiconductor compounds.","Chemical communications (Cambridge, England)","2020","56","11","1697","1700","10.1039/c9cc09477f","","","0.71073","MoKα","","0.0816","0.0693","","","0.1751","0.1826","","","","","","1.035","","","","has coordinates","248736","2020-10-21","18:00:00",""
"7126116","22.444","0.003","8.1886","0.0008","11.9852","0.0014","90","","104.248","0.013","90","","2134.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C6 H24 Bi Br6 N3 -","- C6 H24 Bi Br6 N3 -","- C24 H96 Bi4 Br24 N12 -","4","0.5","","Li, Hui-Hui; Wang, Chang-Feng; Wu, Ya-Xing; Jiang, Fan; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Halogen substitution regulates the phase transition temperature and band gap of semiconductor compounds.","Chemical communications (Cambridge, England)","2020","56","11","1697","1700","10.1039/c9cc09477f","","","0.71073","MoKα","","0.1184","0.0597","","","0.1347","0.1646","","","","","","1.035","","","","has coordinates","248736","2020-10-21","18:00:00",""
"7126117","8.952","0.0003","29.5398","0.0008","11.8481","0.0004","90","","93.269","0.003","90","","3128.02","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H24 Bi I6 N3 -","- C6 H24 Bi I6 N3 -","- C24 H96 Bi4 I24 N12 -","4","1","","Li, Hui-Hui; Wang, Chang-Feng; Wu, Ya-Xing; Jiang, Fan; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Halogen substitution regulates the phase transition temperature and band gap of semiconductor compounds.","Chemical communications (Cambridge, England)","2020","56","11","1697","1700","10.1039/c9cc09477f","","","0.71073","MoKα","","0.255","0.2278","","","0.623","0.6567","","","","","","1.037","","","","has coordinates","248736","2020-10-21","18:00:00",""
"7126118","26.2181","0.0014","8.6303","0.0004","13.2652","0.0007","90","","110.247","0.004","90","","2816.1","0.3","373","2","373","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C6 Bi Cl3 I6 N3 -","- C6 Bi Cl3 I6 N3 -","- C24 Bi4 Cl12 I24 N12 -","4","0.5","","Li, Hui-Hui; Wang, Chang-Feng; Wu, Ya-Xing; Jiang, Fan; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Halogen substitution regulates the phase transition temperature and band gap of semiconductor compounds.","Chemical communications (Cambridge, England)","2020","56","11","1697","1700","10.1039/c9cc09477f","","","0.71073","MoKα","","0.1714","0.1628","","","0.5177","0.5364","","","","","","1.144","","","","has coordinates,has disorder","248736","2020-10-21","18:00:00",""
"7126119","8.5701","0.0001","12.4903","0.0002","12.9228","0.0002","103.943","0.001","108.815","0.001","93.035","0.001","1257.88","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 Bi Cl3 I6 N3 -","- C6 Bi Cl3 I6 N3 -","- C12 Bi2 Cl6 I12 N6 -","2","1","","Li, Hui-Hui; Wang, Chang-Feng; Wu, Ya-Xing; Jiang, Fan; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Halogen substitution regulates the phase transition temperature and band gap of semiconductor compounds.","Chemical communications (Cambridge, England)","2020","56","11","1697","1700","10.1039/c9cc09477f","","","0.71073","MoKα","","0.0435","0.0369","","","0.0971","0.1098","","","","","","1.087","","","","has coordinates","248736","2020-10-21","18:00:00",""
"7126120","11.5267","0.0003","7.8653","0.0002","21.5333","0.0005","90","","103.831","0.002","90","","1895.62","0.08","170","2","170","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C6 H24 Bi Cl6 N3 -","- C6 H24 Bi Cl6 N3 -","- C24 H96 Bi4 Cl24 N12 -","4","1","","Li, Hui-Hui; Wang, Chang-Feng; Wu, Ya-Xing; Jiang, Fan; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Halogen substitution regulates the phase transition temperature and band gap of semiconductor compounds.","Chemical communications (Cambridge, England)","2020","56","11","1697","1700","10.1039/c9cc09477f","","","0.71073","MoKα","","0.0365","0.0282","","","0.0665","0.0684","","","","","","1.068","","","","has coordinates","248736","2020-10-21","18:00:00",""
"7126121","24.29","0.002","8.274","0.0007","12.4821","0.0009","90","","108.894","0.007","90","","2373.4","0.3","420","2","420","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C6 H21 Bi Br6 Cl3 N3 -","- C6 H21 Bi Br6 Cl3 N3 -","- C24 H84 Bi4 Br24 Cl12 N12 -","4","0.5","","Li, Hui-Hui; Wang, Chang-Feng; Wu, Ya-Xing; Jiang, Fan; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Halogen substitution regulates the phase transition temperature and band gap of semiconductor compounds.","Chemical communications (Cambridge, England)","2020","56","11","1697","1700","10.1039/c9cc09477f","","","0.71073","MoKα","","0.1209","0.0601","","","0.1672","0.1969","","","","","","0.964","","","","has coordinates","248736","2020-10-21","18:00:00",""
"7126122","8.346","0.004","9.916","0.004","13.969","0.006","86.705","0.012","77.173","0.011","71.341","0.014","1067.8","0.8","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 Cl N Si -","- C25 H24 Cl N Si -","- C50 H48 Cl2 N2 Si2 -","2","1","","Zeng, Ya-Li; Chen, Bo; Wang, Ya-Ting; He, Cheng-Yu; Mu, Zi-Yuan; Du, Ji-Yuan; He, Long; Chu, Wen-Dao; Liu, Quan-Zhong","Copper-catalyzed asymmetric silyl addition to alkenyl-substituted N-heteroarenes.","Chemical communications (Cambridge, England)","2020","56","11","1693","1696","10.1039/c9cc08910a","","","0.71073","MoKα","","0.0547","0.041","","","0.0952","0.1025","","","","","","1.0688","","","","has coordinates","248738","2020-10-21","18:00:00",""
"7126123","3.985","0.0002","20.546","0.0013","14.8477","0.001","90","","90","","90","","1215.67","0.13","293","","293","","","","","","","","","4","P m c n","-P 2n 2a","62","","","","- In3 La3 O3 S6 -","- In3 La3 O3 S6 -","- In12 La12 O12 S24 -","4","0.5","","Kabbour, Houria; Sayede, Adlane; Saitzek, Sébastien; Lefèvre, Gauthier; Cario, Laurent; Trentesaux, Martine; Roussel, Pascal","Structure of the water-splitting photocatalyst oxysulfide α-LaOInS<sub>2</sub> and ab initio prediction of new polymorphs.","Chemical communications (Cambridge, England)","2020","56","11","1645","1648","10.1039/c9cc09797j","powder diffraction","x-ray","1.54187","","","0.0213","0.0205","","0.0258","0.0257","","","","1.54","","","","","","","has coordinates","248739","2020-10-21","18:00:00",""
"7126124","38.272","0.003","12.8163","0.0008","10.858","0.001","90","","90","","90","","5325.9","0.7","293","2","293.15","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C18 H13 N -","- C18 H13 N -","- C288 H208 N16 -","16","1","","Liu, Xiaobing; Sheng, Heyun; Zhou, Yao; Song, Qiuling","Palladium-catalyzed C-H bond activation for the assembly of N-aryl carbazoles with aromatic amines as nitrogen sources.","Chemical communications (Cambridge, England)","2020","56","11","1665","1668","10.1039/c9cc09493h","","x-ray","0.71073","MoKα","","0.0924","0.0508","","","0.0918","0.1077","","","","","","1.036","","","","has coordinates","248740","2020-10-21","18:00:00",""
"7126125","9.0542","0.0004","12.4973","0.0006","18.9834","0.0007","90","","90","","90","","2148.03","0.16","298.15","","298.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 N2 -","- C30 H20 N2 -","- C120 H80 N8 -","4","1","","Liu, Xiaobing; Sheng, Heyun; Zhou, Yao; Song, Qiuling","Palladium-catalyzed C-H bond activation for the assembly of N-aryl carbazoles with aromatic amines as nitrogen sources.","Chemical communications (Cambridge, England)","2020","56","11","1665","1668","10.1039/c9cc09493h","","x-ray","0.71073","MoKα","","0.0798","0.0482","","","0.0816","0.0913","","","","","","1.041","","","","has coordinates","248740","2020-10-21","18:00:00",""
"7126126","12.3667","0.0001","16.1708","0.0002","15.3924","0.0002","90","","108.863","0.001","90","","2912.85","0.06","170","0.1","170","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C42 H36 O2 -","- C42 H36 O2 -","- C168 H144 O8 -","4","0.5","","Lin, Wei-Bin; He, Dong-Qiang; Lu, Hai-Yan; Hu, Zhi-Qiang; Chen, Chuan-Feng","Sign inversions of circularly polarized luminescence for helical compounds by chemically fine-tuning operations.","Chemical communications (Cambridge, England)","2020","56","12","1863","1866","10.1039/c9cc08573d","","x-ray","1.54184","CuKα","","0.0439","0.0398","","","0.1032","0.1088","","","","","","1.07","","","","has coordinates","248741","2020-10-21","18:00:00",""
"7126127","12.4619","0.0003","16.5737","0.0004","15.2124","0.0003","90","","103.676","0.002","90","","3052.89","0.12","299.9","0.3","299.9","0.3","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C40 H30 Cl2 O2 -","- C40 H30 Cl2 O2 -","- C160 H120 Cl8 O8 -","4","0.5","","Lin, Wei-Bin; He, Dong-Qiang; Lu, Hai-Yan; Hu, Zhi-Qiang; Chen, Chuan-Feng","Sign inversions of circularly polarized luminescence for helical compounds by chemically fine-tuning operations.","Chemical communications (Cambridge, England)","2020","56","12","1863","1866","10.1039/c9cc08573d","","x-ray","1.54184","CuKα","","0.0528","0.048","","","0.1384","0.1445","","","","","","1.093","","","","has coordinates","248741","2020-10-21","18:00:00",""
"7126128","20.7974","0.0009","34.3196","0.0013","24.2844","0.0009","90","","90","","90","","17333.2","1.2","100","0.1","100","0.1","","","","","","","","5","C m m m","-C 2 2","65","","","","- C108 H68 N4 O40 Zr6 -","- C108 H68 N4 O40 Zr6 -","- C216 H136 N8 O80 Zr12 -","2","0.125","","Mallick, Arijit; Liang, Hanfeng; Shekhah, Osama; Jia, Jiangtao; Mouchaham, Georges; Shkurenko, Aleksander; Belmabkhout, Youssef; Alshareef, Husam N.; Eddaoudi, Mohamed","Made-to-order porous electrodes for supercapacitors: MOFs embedded with redox-active centers as a case study.","Chemical communications (Cambridge, England)","2020","56","12","1883","1886","10.1039/c9cc08860a","","","1.54178","CuKα","","0.0621","0.0517","","","0.1716","0.1767","","","","","","1.063","","","","has coordinates,has disorder","248742","2020-10-21","18:00:00",""
"7126129","12.9113","0.0004","13.8869","0.0004","16.5533","0.0003","102.178","0.002","91.521","0.002","97.504","0.002","2871.85","0.13","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H65 Cl9 N14 O2 -","- C49 H65 Cl9 N14 O2 -","- C98 H130 Cl18 N28 O4 -","2","1","","Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","'Atypical Ugi' tetrazoles.","Chemical communications (Cambridge, England)","2020","56","12","1799","1802","10.1039/c9cc09194g","","x-ray","0.71073","MoKα","","0.1015","0.0662","","","0.1639","0.1928","","","","","","1.03","","","","has coordinates,has disorder","248743","2020-10-21","18:00:00",""
"7126130","10.8092","0.0004","14.1679","0.0006","17.2034","0.0007","78.408","0.004","86.646","0.003","86.284","0.003","2572.64","0.18","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H54 F6 N12 O2 -","- C56 H54 F6 N12 O2 -","- C112 H108 F12 N24 O4 -","2","1","","Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","'Atypical Ugi' tetrazoles.","Chemical communications (Cambridge, England)","2020","56","12","1799","1802","10.1039/c9cc09194g","","x-ray","1.54184","CuKα","","0.0764","0.0566","","","0.1514","0.1705","","","","","","1.024","","","","has coordinates,has disorder","248743","2020-10-21","18:00:00",""
"7126131","10.7643","0.0006","14.0058","0.0006","15.9242","0.0008","89.704","0.004","78.054","0.004","67.659","0.005","2165.3","0.2","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H54 Cl2 N12 O2 -","- C44 H54 Cl2 N12 O2 -","- C88 H108 Cl4 N24 O4 -","2","1","","Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","'Atypical Ugi' tetrazoles.","Chemical communications (Cambridge, England)","2020","56","12","1799","1802","10.1039/c9cc09194g","","x-ray","1.54184","CuKα","","0.0599","0.0511","","","0.138","0.1493","","","","","","1.02","","","","has coordinates,has disorder","248743","2020-10-21","18:00:00",""
"7126132","10.3164","0.0004","15.7661","0.0006","18.2979","0.0006","68.115","0.003","89.376","0.003","87.542","0.003","2759.08","0.18","132","4","132","4","","","","","","","","5","P -1","-P 1","2","","","","- C25 H30 Cl4 N6 O -","- C25 H30 Cl4 N6 O -","- C100 H120 Cl16 N24 O4 -","4","2","","Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","'Atypical Ugi' tetrazoles.","Chemical communications (Cambridge, England)","2020","56","12","1799","1802","10.1039/c9cc09194g","","x-ray","0.71073","MoKα","","0.0659","0.0461","","","0.1131","0.131","","","","","","1.052","","","","has coordinates","292638","2024-06-28","09:33:35",""
"7126133","9.8856","0.0006","10.418","0.0005","42.5525","0.0016","90","","90","","90","","4382.4","0.4","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H31 N7 O -","- C22 H31 N7 O -","- C176 H248 N56 O8 -","8","1","","Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","'Atypical Ugi' tetrazoles.","Chemical communications (Cambridge, England)","2020","56","12","1799","1802","10.1039/c9cc09194g","","x-ray","0.71073","MoKα","","0.2098","0.0836","","","0.1581","0.2206","","","","","","0.981","","","","has coordinates","248743","2020-10-21","18:00:00",""
"7126134","11.2953","0.0014","11.412","0.001","13.0664","0.0013","70.404","0.009","73.213","0.01","70.603","0.01","1466.5","0.3","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H36 N6 O -","- C34 H36 N6 O -","- C68 H72 N12 O2 -","2","1","","Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","'Atypical Ugi' tetrazoles.","Chemical communications (Cambridge, England)","2020","56","12","1799","1802","10.1039/c9cc09194g","","","0.71073","MoKα","","0.1305","0.0717","","","0.1428","0.1931","","","","","","1.042","","","","has coordinates","248743","2020-10-21","18:00:00",""
"7126135","9.1544","0.0003","10.8644","0.0004","15.5035","0.0005","72.725","0.003","84.894","0.003","83.984","0.003","1461.55","0.09","130","0.1","130","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H33 Cl N6 O -","- C33 H33 Cl N6 O -","- C66 H66 Cl2 N12 O2 -","2","1","","Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","'Atypical Ugi' tetrazoles.","Chemical communications (Cambridge, England)","2020","56","12","1799","1802","10.1039/c9cc09194g","","","0.7107","MoKα","","0.0586","0.0414","","","0.0886","0.0982","","","","","","1.039","","","","has coordinates","248743","2020-10-21","18:00:00",""
"7126136","6.7885","0.0004","7.9643","0.0004","26.039","0.002","90","","94.113","0.006","90","","1404.19","0.15","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H35 N7 O -","- C32 H35 N7 O -","- C64 H70 N14 O2 -","2","1","","Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","'Atypical Ugi' tetrazoles.","Chemical communications (Cambridge, England)","2020","56","12","1799","1802","10.1039/c9cc09194g","","x-ray","0.71073","MoKα","","0.1017","0.0799","","","0.1706","0.1845","","","","","","1.068","","","","has coordinates","248743","2020-10-21","18:00:00",""
"7126137","6.3741","0.0008","9.3723","0.0012","24.838","0.002","83.121","0.009","85.819","0.009","79.949","0.01","1448.5","0.3","132","3","132","3","","","","","","","","4","P -1","-P 1","2","","","","- C32 H37 N7 O -","- C32 H37 N7 O -","- C64 H74 N14 O2 -","2","1","","Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","'Atypical Ugi' tetrazoles.","Chemical communications (Cambridge, England)","2020","56","12","1799","1802","10.1039/c9cc09194g","","x-ray","0.71073","MoKα","","0.0984","0.0658","","","0.1458","0.1622","","","","","","1.086","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7126138","9.0985","0.0003","10.3538","0.0003","30.3383","0.001","90","","97.525","0.003","90","","2833.38","0.16","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 Cl N6 O -","- C33 H33 Cl N6 O -","- C132 H132 Cl4 N24 O4 -","4","1","","Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","'Atypical Ugi' tetrazoles.","Chemical communications (Cambridge, England)","2020","56","12","1799","1802","10.1039/c9cc09194g","","","0.71073","MoKα","","0.1223","0.113","","","0.3278","0.3461","","","","","","1.439","","","","has coordinates","248743","2020-10-21","18:00:00",""
"7126139","9.8002","0.0003","15.121","0.0005","19.4804","0.0007","90","","90.374","0.003","90","","2886.72","0.17","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Cl N7 O -","- C30 H32 Cl N7 O -","- C120 H128 Cl4 N28 O4 -","4","1","","Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","'Atypical Ugi' tetrazoles.","Chemical communications (Cambridge, England)","2020","56","12","1799","1802","10.1039/c9cc09194g","","x-ray","1.54184","CuKα","","0.0496","0.0444","","","0.1221","0.127","","","","","","1.037","","","","has coordinates","248743","2020-10-21","18:00:00",""
"7126140","6.449","0.003","10.347","0.006","13.623","0.008","85.979","0.013","84.125","0.013","82.722","0.016","895.5","0.8","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H58 N4 -","- C42 H58 N4 -","- C42 H58 N4 -","1","0.5","","Guo, Jing; Cheong, Odelia; Bamford, Karlee L.; Zhou, Jiliang; Stephan, Douglas W.","Frustrated Lewis pair-catalyzed double hydroarylation of alkynes with N-substituted pyrroles.","Chemical communications (Cambridge, England)","2020","56","12","1855","1858","10.1039/c9cc08654d","","","0.71073","MoKα","","0.1065","0.0462","","","0.085","0.0977","","","","","","0.8225","","","","has coordinates","248744","2020-10-21","18:00:00",""
"7126141","10.782","0.005","13.431","0.006","15.604","0.008","90","","97.24","0.03","90","","2241.6","1.9","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H31 Br N2 -","- C24 H31 Br N2 -","- C96 H124 Br4 N8 -","4","1","","Guo, Jing; Cheong, Odelia; Bamford, Karlee L.; Zhou, Jiliang; Stephan, Douglas W.","Frustrated Lewis pair-catalyzed double hydroarylation of alkynes with N-substituted pyrroles.","Chemical communications (Cambridge, England)","2020","56","12","1855","1858","10.1039/c9cc08654d","","","0.71073","MoKα","","0.0844","0.0477","","","0.1199","0.1429","","","","","","1.0363","","","","has coordinates","298703","2025-04-03","05:34:20",""
"7126142","9.759","0.006","14.912","0.01","14.143","0.009","90","","104.115","0.006","90","","1996","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 I N2 -","- C23 H23 I N2 -","- C92 H92 I4 N8 -","4","1","","Elhussin, Imad Elddin Haj; Zhang, Sijing; Liu, Jiejie; Li, Dandan; Zhang, Qiong; Li, Shengli; Tian, Xiaohe; Wu, Jieying; Tian, Yupeng","A novel water-soluble quinoline-indole derivative as a three-photon fluorescent probe for identifying nucleolus RNA and mitochondrial DNA.","Chemical communications (Cambridge, England)","2020","56","12","1859","1862","10.1039/c9cc09640j","","","0.71073","MoKα","","0.0344","0.0314","","","0.0837","0.0862","","","","","","1.08","","","","has coordinates","248745","2020-10-21","18:00:00",""
"7126143","10.532","0.002","13.748","0.003","14.154","0.003","90","","92.091","0.002","90","","2048","0.7","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 O4 S -","- C23 H24 N2 O4 S -","- C92 H96 N8 O16 S4 -","4","1","","Elhussin, Imad Elddin Haj; Zhang, Sijing; Liu, Jiejie; Li, Dandan; Zhang, Qiong; Li, Shengli; Tian, Xiaohe; Wu, Jieying; Tian, Yupeng","A novel water-soluble quinoline-indole derivative as a three-photon fluorescent probe for identifying nucleolus RNA and mitochondrial DNA.","Chemical communications (Cambridge, England)","2020","56","12","1859","1862","10.1039/c9cc09640j","","","0.71073","MoKα","","0.0526","0.0422","","","0.1087","0.1162","","","","","","1.041","","","","has coordinates","248745","2020-10-21","18:00:00",""
"7126144","14.7356","0.0003","5.75805","0.00013","24.963","0.0005","90","","90","","90","","2118.07","0.08","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H8 Cl N O -","- C14 H8 Cl N O -","- C112 H64 Cl8 N8 O8 -","8","1","","Shan, Xiang-Huan; Yang, Bo; Qu, Jian-Ping; Kang, Yan-Biao","CuSO<sub>4</sub>-Catalyzed dual annulation to synthesize O, S or N-containing tetracyclic heteroacenes.","Chemical communications (Cambridge, England)","2020","56","29","4063","4066","10.1039/d0cc01172j","","","1.54184","CuKα","","0.0398","0.0379","","","0.0996","0.1019","","","","","","1.071","","","","has coordinates","251540","2020-10-21","18:00:00",""
"7126145","8.28779","0.00011","5.59996","0.0001","24.2843","0.0004","90","","90","","90","","1127.07","0.03","291","2","291","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H8 Br N O -","- C14 H8 Br N O -","- C56 H32 Br4 N4 O4 -","4","1","","Shan, Xiang-Huan; Yang, Bo; Qu, Jian-Ping; Kang, Yan-Biao","CuSO<sub>4</sub>-Catalyzed dual annulation to synthesize O, S or N-containing tetracyclic heteroacenes.","Chemical communications (Cambridge, England)","2020","56","29","4063","4066","10.1039/d0cc01172j","","","1.54184","CuKα","","0.0307","0.0305","","","0.0831","0.0833","","","","","","1.044","","","","has coordinates","251540","2020-10-21","18:00:00",""
"7126146","9.1724","0.0002","11.6412","0.0003","22.267","0.0006","90","","90","","90","","2377.62","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N2 O2 P -","- C28 H29 N2 O2 P -","- C112 H116 N8 O8 P4 -","4","1","","Lundrigan, Travis; Tien, Chieh-Hung; Robertson, Katherine N.; Speed, Alexander W. H.","Air and water stable secondary phosphine oxides as diazaphospholene precatalysts.","Chemical communications (Cambridge, England)","2020","56","58","8027","8030","10.1039/d0cc01072c","","","1.54178","CuKα","","0.0367","0.0365","","","0.0955","0.0955","","","","","","1.158","","","","has coordinates,has disorder","254870","2020-10-21","18:00:00",""
"7126147","14.2375","0.001","4.3802","0.0003","15.0293","0.0014","90","","104.466","0.009","90","","907.56","0.13","100.03","0.11","100.03","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 N3 O2 -","- C22 H21 N3 O2 -","- C44 H42 N6 O4 -","2","1","","Hossain, Munshi Sahid; Rahaman, Sk Atiur; Hatai, Joydev; Saha, Monochura; Bandyopadhyay, Subhajit","Switching the recognition ability of a photoswitchable receptor towards phosphorylated anions.","Chemical communications (Cambridge, England)","2020","56","30","4172","4175","10.1039/d0cc00926a","","x-ray","0.71073","MoKα","","0.0644","0.0553","","","0.1231","0.1287","","","","","","1.097","","","","has coordinates","298328","2025-03-07","16:31:39",""
"7126148","11.7556","0.0009","13.9168","0.0008","14.9786","0.001","97.472","0.005","106.582","0.006","110.609","0.006","2124.5","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 Cl N3 O6.5 -","- C22 H23 Cl N3 O6.5 -","- C88 H92 Cl4 N12 O26 -","4","2","","Hossain, Munshi Sahid; Rahaman, Sk Atiur; Hatai, Joydev; Saha, Monochura; Bandyopadhyay, Subhajit","Switching the recognition ability of a photoswitchable receptor towards phosphorylated anions.","Chemical communications (Cambridge, England)","2020","56","30","4172","4175","10.1039/d0cc00926a","","x-ray","0.71073","MoKα","","0.0932","0.0645","","","0.1457","0.1637","","","","","","1.1201","","","","has coordinates","298328","2025-03-07","16:31:39",""
"7126149","8.8208","0.0005","11.9769","0.0012","14.7126","0.0009","90","","90","","90","","1554.3","0.2","293","2","293","2","","","","","","","From datablock 20190366","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C72 H56 N8 O16 -","4","1","","Zhao, Sihan; Cheng, Shaobing; Liu, Hui; Zhang, Jiayan; Liu, Min; Yuan, Weicheng; Zhang, Xiaomei","Synthesis of chiral [2,3]-fused indolines through enantioselective dearomatization inverse-electron-demand Diels-Alder reaction/oxidation of indoles with 2-(2-nitrovinyl)-1,4-benzoquinone.","Chemical communications (Cambridge, England)","2020","56","30","4200","4203","10.1039/d0cc00693a","","","1.54184","CuKα","","0.0493","0.0434","","","0.1111","0.1181","","","","","","1.033","","","","has coordinates","282922","2023-04-29","19:21:52",""
"7126150","8.8208","0.0005","11.9769","0.0012","14.7126","0.0009","90","","90","","90","","1554.3","0.2","293","2","293","2","","","","","","","From datablock 20190366_CCDC1","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C72 H56 N8 O16 -","4","1","","Zhao, Sihan; Cheng, Shaobing; Liu, Hui; Zhang, Jiayan; Liu, Min; Yuan, Weicheng; Zhang, Xiaomei","Synthesis of chiral [2,3]-fused indolines through enantioselective dearomatization inverse-electron-demand Diels-Alder reaction/oxidation of indoles with 2-(2-nitrovinyl)-1,4-benzoquinone.","Chemical communications (Cambridge, England)","2020","56","30","4200","4203","10.1039/d0cc00693a","","x-ray","1.54184","CuKα","","0.0493","0.0434","","","0.1111","0.1181","","","","","","1.033","","","","has coordinates","282922","2023-04-29","19:21:52",""
"7126151","17.7788","0.0004","19.721","0.0003","15.0786","0.0002","90","","90","","90","","5286.79","0.16","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C19 H33 F6 N2 O9 P -","- C19 H33 F6 N2 O9 P -","- C152 H264 F48 N16 O72 P8 -","8","1","","Huang, Rui-Kang; Chen, Xiao-Xian; Xiao, Zhi-Feng; Liu, De-Xuan; Zhang, Wei-Xiong; Chen, Xiao-Ming","Enhancing switchable dielectric property for crystalline supramolecular rotor compounds by adding polar components.","Chemical communications (Cambridge, England)","2020","56","29","4114","4117","10.1039/d0cc01026j","","","1.54178","CuKα","","0.0988","0.0867","","","0.2941","0.3198","","","","","","1.009","","","","has coordinates,has disorder","251539","2020-10-21","18:00:00",""
"7126152","16.774","0.003","20","0.003","15.122","0.003","90","","90","","90","","5073.1","1.6","213","2","213","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C19 H33 F6 N2 O9 P -","- C19 H33 F6 N2 O9 P -","- C152 H264 F48 N16 O72 P8 -","8","1","","Huang, Rui-Kang; Chen, Xiao-Xian; Xiao, Zhi-Feng; Liu, De-Xuan; Zhang, Wei-Xiong; Chen, Xiao-Ming","Enhancing switchable dielectric property for crystalline supramolecular rotor compounds by adding polar components.","Chemical communications (Cambridge, England)","2020","56","29","4114","4117","10.1039/d0cc01026j","","","1.54178","CuKα","","0.056","0.0536","","","0.1531","0.1568","","","","","","1.098","","","","has coordinates,has disorder","251539","2020-10-21","18:00:00",""
"7126153","10.0129","0.0003","18.4433","0.0005","14.9448","0.0003","90","","98.44","0.002","90","","2729.98","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 F3 N2 O12 S -","- C20 H33 F3 N2 O12 S -","- C80 H132 F12 N8 O48 S4 -","4","1","","Huang, Rui-Kang; Chen, Xiao-Xian; Xiao, Zhi-Feng; Liu, De-Xuan; Zhang, Wei-Xiong; Chen, Xiao-Ming","Enhancing switchable dielectric property for crystalline supramolecular rotor compounds by adding polar components.","Chemical communications (Cambridge, England)","2020","56","29","4114","4117","10.1039/d0cc01026j","","x-ray","1.54184","CuKα","","0.0741","0.0685","","","0.2038","0.211","","","","","","1.081","","","","has coordinates,has disorder","288248","2023-12-12","12:55:28",""
"7126154","20.31807","0.00019","17.85897","0.00016","14.6402","0.00012","90","","96.2561","0.0008","90","","5280.7","0.08","212.99","0.1","212.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 F3 N2 O12 S -","- C20 H33 F3 N2 O12 S -","- C160 H264 F24 N16 O96 S8 -","8","2","","Huang, Rui-Kang; Chen, Xiao-Xian; Xiao, Zhi-Feng; Liu, De-Xuan; Zhang, Wei-Xiong; Chen, Xiao-Ming","Enhancing switchable dielectric property for crystalline supramolecular rotor compounds by adding polar components.","Chemical communications (Cambridge, England)","2020","56","29","4114","4117","10.1039/d0cc01026j","","x-ray","1.54184","CuKα","","0.0502","0.0452","","","0.1235","0.1294","","","","","","1.028","","","","has coordinates","251539","2020-10-21","18:00:00",""
"7126155","7.6529","0.0005","4.0559","0.0003","9.1405","0.0006","90","","113.758","0.002","90","","259.67","0.03","273","2","273","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","SrOCuBiSe2","","- Bi Cu O Se2 Sr -","- Bi Cu O Se2 Sr -","- Bi2 Cu2 O2 Se4 Sr2 -","2","0.5","","Luo, Mengjia; Bu, Kejun; Zhang, Xian; Huang, Jian; Wang, Ruiqi; Huang, Fuqiang","Intrinsically low thermal conductivity in a p-type semiconductor SrOCuBiSe<sub>2</sub> with a [SrO]-intercalated CuBiSe<sub>2</sub> structure.","Chemical communications (Cambridge, England)","2020","56","31","4356","4359","10.1039/d0cc00035c","","","0.71073","MoKα","","0.0448","0.0444","","","0.1086","0.1093","","","","","","1.161","","","","has coordinates","251572","2020-10-21","18:00:00",""
"7126156","13.4901","0.0016","13.2578","0.0016","30.134","0.004","90","","90","","90","","5389.4","1.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H27 Cl Mn N5 O3 -","- C29 H27 Cl Mn N5 O3 -","- C232 H216 Cl8 Mn8 N40 O24 -","8","1","","Liu, Yi; Guo, Jin-Han; Dao, Xiao-Yao; Zhang, Xiu-Du; Zhao, Yue; Sun, Wei-Yin","Coordination polymers with a pyridyl-salen ligand for photocatalytic carbon dioxide reduction.","Chemical communications (Cambridge, England)","2020","56","29","4110","4113","10.1039/d0cc00425a","","","0.71073","MoKα","","0.0606","0.0456","","","0.1125","0.1201","","","","","","1.042","","","","has coordinates","251538","2020-10-21","18:00:00",""
"7126157","13.4819","0.0005","13.3393","0.0005","30.1323","0.0013","90","","90","","90","","5419","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H27 Cl Fe N5 O3 -","- C29 H27 Cl Fe N5 O3 -","- C232 H216 Cl8 Fe8 N40 O24 -","8","1","","Liu, Yi; Guo, Jin-Han; Dao, Xiao-Yao; Zhang, Xiu-Du; Zhao, Yue; Sun, Wei-Yin","Coordination polymers with a pyridyl-salen ligand for photocatalytic carbon dioxide reduction.","Chemical communications (Cambridge, England)","2020","56","29","4110","4113","10.1039/d0cc00425a","","","0.71073","MoKα","","0.0445","0.0331","","","0.0948","0.1004","","","","","","1.238","","","","has coordinates","251538","2020-10-21","18:00:00",""
"7126158","9.3757","0.001","10.4164","0.0009","25.134","0.003","90","","93.912","0.004","90","","2448.9","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","RK-189","","- C14 H26 Cl O6 P Si3 W -","- C14 H26 Cl O6 P Si3 W -","- C56 H104 Cl4 O24 P4 Si12 W4 -","4","1","","Kunzmann, Robert; Omatsu, Yamato; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Yanagisawa, Tatsuya; Tokitoh, Norihiro; Streubel, Rainer","A synthetic equivalent for unknown 1,3-zwitterions? - A K/OR phosphinidenoid complex with an additional Si-Cl function.","Chemical communications (Cambridge, England)","2020","56","27","3899","3902","10.1039/d0cc00024h","","","0.71073","MoKα","","0.08","0.0569","","","0.0871","0.0962","","","","","","1.111","","","","has coordinates","250172","2020-10-21","18:00:00",""
"7126159","15.8672","0.0011","16.5104","0.0011","22.0806","0.0015","90","","91.193","0.003","90","","5783.3","0.7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","RK-485","","- C17 H34 N O6 P Si4 W -","- C17 H34 N O6 P Si4 W -","- C136 H272 N8 O48 P8 Si32 W8 -","8","2","","Kunzmann, Robert; Omatsu, Yamato; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Yanagisawa, Tatsuya; Tokitoh, Norihiro; Streubel, Rainer","A synthetic equivalent for unknown 1,3-zwitterions? - A K/OR phosphinidenoid complex with an additional Si-Cl function.","Chemical communications (Cambridge, England)","2020","56","27","3899","3902","10.1039/d0cc00024h","","","0.71073","MoKα","","0.0316","0.0237","","","0.0513","0.0542","","","","","","1.016","","","","has coordinates,has disorder","250172","2020-10-21","18:00:00",""
"7126160","9.9978","0.0004","13.3597","0.0005","21.3413","0.0009","90","","90","","90","","2850.5","0.2","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","RK-459","","- C19 H34 N O7 P Si3 W -","- C19 H34 N O7 P Si3 W -","- C76 H136 N4 O28 P4 Si12 W4 -","4","1","","Kunzmann, Robert; Omatsu, Yamato; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Yanagisawa, Tatsuya; Tokitoh, Norihiro; Streubel, Rainer","A synthetic equivalent for unknown 1,3-zwitterions? - A K/OR phosphinidenoid complex with an additional Si-Cl function.","Chemical communications (Cambridge, England)","2020","56","27","3899","3902","10.1039/d0cc00024h","","","0.71073","MoKα","","0.0196","0.0175","","","0.0363","0.0371","","","","","","1.041","","","","has coordinates","250172","2020-10-21","18:00:00",""
"7126161","9.7751","0.0005","11.1664","0.0008","11.1677","0.0009","109.183","0.007","114.745","0.006","90.306","0.005","1030.98","0.15","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Cd N2 O6 -","- C25 H17 Cd N2 O6 -","- C50 H34 Cd2 N4 O12 -","2","1","","Yang, Xiao-Dong; Ma, Mei-Jing; Pang, Xin-Zhu; Chen, Yun-Rui; Rooney, David; Zhang, Jie","Synergism of photocycloaddition and photoinduced electron transfer for multi-state responsive materials with high-stability and reversibility.","Chemical communications (Cambridge, England)","2020","56","29","4126","4129","10.1039/d0cc00999g","","","0.71073","MoKα","","0.061","0.0567","","","0.141","0.1448","","","","","","1.066","","","","has coordinates","251543","2020-10-21","18:00:00",""
"7126162","9.7751","0.0005","11.1664","0.0008","11.1677","0.0009","109.183","0.007","114.745","0.006","90.306","0.005","1030.98","0.15","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Cd N2 O6 -","- C25 H17 Cd N2 O6 -","- C50 H34 Cd2 N4 O12 -","2","1","","Levine, Andrew M.; Bu, Guanhong; Biswas, Sankarsan; Tsai, Esther H. R.; Braunschweig, Adam B.; Nannenga, Brent L.","Crystal structure and orientation of organic semiconductor thin films by microcrystal electron diffraction and grazing-incidence wide-angle X-ray scattering.","Chemical communications (Cambridge, England)","2020","56","30","4204","4207","10.1039/d0cc00119h","","","0.71073","MoKα","","0.061","0.0567","","","0.141","0.1448","","","","","","1.066","","","","has coordinates","251566","2020-10-21","18:00:00",""
"7126163","19.9307","0.0006","14.7178","0.0004","20.3785","0.0006","90","","110.812","0.0005","90","","5587.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H82 Au B2 K O8 P2 -","- C55 H82 Au B2 K O8 P2 -","- C220 H328 Au4 B8 K4 O32 P8 -","4","1","","Taylor, Jordan W.; Harman, W. Hill","C[double bond, length as m-dash]O scission and reductive coupling of organic carbonyls by a redox-active diboraanthracene.","Chemical communications (Cambridge, England)","2020","56","32","4480","4483","10.1039/d0cc01142h","","","0.71073","MoKα","","0.0212","0.0186","","","0.0446","0.0457","","","","","","1.039","","","","has coordinates,has disorder","251554","2020-10-21","18:00:00",""
"7126164","11.3469","0.0011","13.0442","0.0013","21.464","0.002","103.942","0.0014","95.7811","0.0014","101.004","0.0015","2990.5","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H88 Au B2 K O7 P2 -","- C61 H88 Au B2 K O7 P2 -","- C122 H176 Au2 B4 K2 O14 P4 -","2","1","","Taylor, Jordan W.; Harman, W. Hill","C[double bond, length as m-dash]O scission and reductive coupling of organic carbonyls by a redox-active diboraanthracene.","Chemical communications (Cambridge, England)","2020","56","32","4480","4483","10.1039/d0cc01142h","","","0.71073","MoKα","","0.0715","0.0509","","","0.1149","0.1245","","","","","","1.058","","","","has coordinates,has disorder","251554","2020-10-21","18:00:00",""
"7126165","14.6392","0.0019","45.535","0.006","23.842","0.003","90","","96.0286","0.0016","90","","15805","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79.12 H112.34 Au B2 K O11.15 P2 -","- C79.123 H112.335 Au B2 K O11.149 P2 -","- C632.984 H898.68 Au8 B16 K8 O89.192 P16 -","8","2","","Taylor, Jordan W.; Harman, W. Hill","C[double bond, length as m-dash]O scission and reductive coupling of organic carbonyls by a redox-active diboraanthracene.","Chemical communications (Cambridge, England)","2020","56","32","4480","4483","10.1039/d0cc01142h","","","0.71073","MoKα","","0.0837","0.0609","","","0.1362","0.1472","","","","","","1.041","","","","has coordinates,has disorder","251554","2020-10-21","18:00:00",""
"7126166","10.0837","0.0002","14.1067","0.0002","18.4824","0.0003","81.7553","0.0005","84.4017","0.0005","73.8383","0.0005","2494.48","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H72 Au B2 K O8 P2 -","- C50 H72 Au B2 K O8 P2 -","- C100 H144 Au2 B4 K2 O16 P4 -","2","1","","Taylor, Jordan W.; Harman, W. Hill","C[double bond, length as m-dash]O scission and reductive coupling of organic carbonyls by a redox-active diboraanthracene.","Chemical communications (Cambridge, England)","2020","56","32","4480","4483","10.1039/d0cc01142h","","","0.71073","MoKα","","0.0154","0.0149","","","0.037","0.0372","","","","","","1.078","","","","has coordinates,has disorder","251554","2020-10-21","18:00:00",""
"7126167","11.269","0.002","9.848","0.002","14.466","0.003","90","","91.16","0.03","90","","1605.1","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dried-Cobalt Formate","","- C6 H6 Co3 O12 -","- C6 H6 Co3 O12 -","- C24 H24 Co12 O48 -","4","1","","Song, Yoodae; Khudozhitkov, Alexander E.; Lee, Jihyun; Kang, Hyosik; Kolokolov, Daniil I.; Stepanov, Alexander G.; Yoon, Minyoung","Transformation of a proton insulator to a conductor via reversible amorphous to crystalline structure transformation of MOFs.","Chemical communications (Cambridge, England)","2020","56","32","4468","4471","10.1039/d0cc00755b","","","0.63","synchrotron","","0.0368","0.0314","","","0.0844","0.0869","","","","","","1.019","","","","has coordinates","251557","2020-10-21","18:00:00",""
"7126168","11.35","0.002","9.864","0.002","14.566","0.003","90","","91.4","0.03","90","","1630.3","0.6","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dried-Magnesium Formate","","- C6 H6 Mg3 O12 -","- C6 H6 Mg3 O12 -","- C24 H24 Mg12 O48 -","4","1","","Song, Yoodae; Khudozhitkov, Alexander E.; Lee, Jihyun; Kang, Hyosik; Kolokolov, Daniil I.; Stepanov, Alexander G.; Yoon, Minyoung","Transformation of a proton insulator to a conductor via reversible amorphous to crystalline structure transformation of MOFs.","Chemical communications (Cambridge, England)","2020","56","32","4468","4471","10.1039/d0cc00755b","","","0.70001","synchrotron","","0.0601","0.0516","","","0.1523","0.1575","","","","","","1.125","","","","has coordinates","251557","2020-10-21","18:00:00",""
"7126169","9.0803","0.0011","21.343","0.003","21.376","0.003","90","","99.849","0.005","90","","4081.6","1","273","2","273.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 P -","- C28 H19 P -","- C224 H152 P8 -","8","2","","Xing, Chang; Liu, Jianxun; Chen, Fang; Li, Yuanyuan; Lv, Changjian; Peng, Qiuchen; Hou, Hongwei; Li, Kai","Diphenyl-1-pyrenylphosphine: photo-triggered AIE/ACQ transition with remarkable third-order nonlinear optical signal change.","Chemical communications (Cambridge, England)","2020","56","30","4220","4223","10.1039/d0cc01031f","","","0.71073","MoKα","","0.0999","0.0527","","","0.1229","0.145","","","","","","1.034","","","","has coordinates","251564","2020-10-21","18:00:00",""
"7126170","9.042","0.01","21.62","0.03","21.34","0.03","90","","100.14","0.03","90","","4107","9","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 O P -","- C28 H19 O P -","- C224 H152 O8 P8 -","8","2","","Xing, Chang; Liu, Jianxun; Chen, Fang; Li, Yuanyuan; Lv, Changjian; Peng, Qiuchen; Hou, Hongwei; Li, Kai","Diphenyl-1-pyrenylphosphine: photo-triggered AIE/ACQ transition with remarkable third-order nonlinear optical signal change.","Chemical communications (Cambridge, England)","2020","56","30","4220","4223","10.1039/d0cc01031f","","","0.71073","MoKα","","0.1637","0.0643","","","0.1155","0.1438","","","","","","1.016","","","","has coordinates","251564","2020-10-21","18:00:00",""
"7126171","10.8463","0.0002","20.3999","0.0004","21.4989","0.0004","90","","90","","90","","4756.92","0.16","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H41 F8 N5 O Ru -","- C60 H41 F8 N5 O Ru -","- C240 H164 F32 N20 O4 Ru4 -","4","1","","Shing, Ka-Pan; Wan, Qingyun; Chang, Xiao-Yong; Che, Chi-Ming","The first crystallographically characterised ruthenium(vi) alkylimido porphyrin competent for aerobic epoxidation and hydrogen atom abstraction.","Chemical communications (Cambridge, England)","2020","56","32","4428","4431","10.1039/c9cc09972g","","x-ray","1.54178","CuKα","","0.0387","0.038","","","0.1019","0.1027","","","","","","1.051","","","","has coordinates","251556","2020-10-21","18:00:00",""
"7126172","28.865","0.004","12.4422","0.0014","18.7711","0.0019","90","","128.307","0.004","90","","5290.1","1.1","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H54 F8 N6 Ru -","- C64 H54 F8 N6 Ru -","- C256 H216 F32 N24 Ru4 -","4","0.5","","Shing, Ka-Pan; Wan, Qingyun; Chang, Xiao-Yong; Che, Chi-Ming","The first crystallographically characterised ruthenium(vi) alkylimido porphyrin competent for aerobic epoxidation and hydrogen atom abstraction.","Chemical communications (Cambridge, England)","2020","56","32","4428","4431","10.1039/c9cc09972g","","","1.54178","CuKα","","0.0778","0.0533","","","0.1321","0.1452","","","","","","1.043","","","","has coordinates","251556","2020-10-21","18:00:00",""
"7126173","12.6211","0.0004","12.9645","0.0004","17.2046","0.0005","90","","90","","90","","2815.12","0.15","100","","100","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C66 H44 F8 N6 Ru -","- C65.994 H43.994 F8 N6 Ru -","- C131.988 H87.988 F16 N12 Ru2 -","2","0.25","","Shing, Ka-Pan; Wan, Qingyun; Chang, Xiao-Yong; Che, Chi-Ming","The first crystallographically characterised ruthenium(vi) alkylimido porphyrin competent for aerobic epoxidation and hydrogen atom abstraction.","Chemical communications (Cambridge, England)","2020","56","32","4428","4431","10.1039/c9cc09972g","","x-ray","1.54178","CuKα","","0.0675","0.0606","","","0.1683","0.1787","","","","","","1.073","","","","has coordinates,has disorder","251556","2020-10-21","18:00:00",""
"7126174","38.2","0.005","38.2","0.005","46.77","0.009","90","","90","","90","","68249","18","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C648 H540 Cl0 Eu8 N96 O48 -","- C648 H540 Eu8 N96 O48 -","- C1296 H1080 Eu16 N192 O96 -","2","0.25","","Li, Xiao-Zhen; Zhou, Li-Peng; Hu, Shao-Jun; Cai, Li-Xuan; Guo, Xiao-Qing; Wang, Zhuo; Sun, Qing-Fu","Metal ion adaptive self-assembly of photoactive lanthanide-based supramolecular hosts.","Chemical communications (Cambridge, England)","2020","56","32","4416","4419","10.1039/d0cc00936a","","","0.65253","Synchrotron","","0.1177","0.0857","","","0.2564","0.2962","","","","","","1.118","","","","has coordinates","251552","2020-10-21","18:00:00",""
"7126175","10.8529","0.0009","12.6448","0.0014","13.8015","0.0011","90","","90","","90","","1894","0.3","193","2","193","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","N,N'-Diacetyl-N,N'-di(4-trifluoromethylphenyl)-hydrazine","","- C18 H14 F6 N2 O2 -","- C18 H14 F6 N2 O2 -","- C72 H56 F24 N8 O8 -","4","0.5","","Breising, Valentina M.; Kayser, Jacob M.; Kehl, Anton; Schollmeyer, Dieter; Liermann, Johannes C.; Waldvogel, Siegfried R.","Electrochemical formation of N,N'-diarylhydrazines by dehydrogenative N-N homocoupling reaction.","Chemical communications (Cambridge, England)","2020","56","31","4348","4351","10.1039/d0cc01052a","","","0.71073","MoKα","","0.0971","0.0557","","","0.1052","0.1227","","","","","","1.133","","","","has coordinates,has disorder","251576","2020-10-21","18:00:00",""
"7126176","12.071","0.002","33.798","0.007","11.609","0.002","90","","90","","90","","4736.2","1.5","296","2","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C51 H39 N6 O16 Tb2 -","- C51 H39 N6 O16 Tb2 -","- C204 H156 N24 O64 Tb8 -","4","1","","Yue, Dan; Wang, Yanyan; Chen, Dong; Wang, Zhenling","Solvent triggering structural changes for two terbium-based metal-organic frameworks and their photoluminescence sensing.","Chemical communications (Cambridge, England)","2020","56","31","4320","4323","10.1039/d0cc00353k","","","0.71073","MoKα","","0.0551","0.0395","","","0.0846","0.0957","","","","","","1.05","","","","has coordinates","251575","2020-10-21","18:00:00",""
"7126177","17.4278","0.0005","12.1359","0.0003","7.4214","0.0002","90","","92.644","0.001","90","","1567.97","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 N2 O6 Tb -","- C18 H11 N2 O6 Tb -","- C72 H44 N8 O24 Tb4 -","4","1","","Yue, Dan; Wang, Yanyan; Chen, Dong; Wang, Zhenling","Solvent triggering structural changes for two terbium-based metal-organic frameworks and their photoluminescence sensing.","Chemical communications (Cambridge, England)","2020","56","31","4320","4323","10.1039/d0cc00353k","","","0.71073","MoKα","","0.0311","0.0245","","","0.0654","0.0848","","","","","","1.107","","","","has coordinates","251575","2020-10-21","18:00:00",""
"7126178","22.3365","0.0005","22.3365","0.0005","9.9167","0.0002","90","","90","","90","","4947.63","0.19","296","","296","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- C30 H16 N6 -","- C15 H8 N3 -","- C240 H128 N48 -","16","1","","Otani, Takashi; Sasayama, Takuma; Iwashimizu, Chisaki; Kanyiva, Kyalo Stephen; Kawai, Hidetoshi; Shibata, Takanori","Short-step synthesis and chiroptical properties of polyaza[5]-[9]helicenes with blue to green-colour emission.","Chemical communications (Cambridge, England)","2020","56","32","4484","4487","10.1039/d0cc01194k","","","1.54187","CuKα","","0.0626","0.0623","","","0.1996","0.2002","","","","","","1.051","","","","has coordinates","251550","2020-10-21","18:00:00",""
"7126179","11.6524","0.0007","4","0.0002","14.3571","0.0008","90","","92.273","0.007","90","","668.65","0.06","296","","296","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C16 H10 N4 -","- C16 H10 N4 -","- C32 H20 N8 -","2","1","","Otani, Takashi; Sasayama, Takuma; Iwashimizu, Chisaki; Kanyiva, Kyalo Stephen; Kawai, Hidetoshi; Shibata, Takanori","Short-step synthesis and chiroptical properties of polyaza[5]-[9]helicenes with blue to green-colour emission.","Chemical communications (Cambridge, England)","2020","56","32","4484","4487","10.1039/d0cc01194k","","","1.54187","CuKα","","0.1641","0.1609","","","0.401","0.4065","","","","","","1.892","","","","has coordinates","297561","2025-02-01","07:07:33",""
"7126180","11.21","","17.1917","","19.618","","90","","90","","90","","3780.76","","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H15 Cl3 N4 -","- C24.5 H15 Cl N4 -","- C196 H120 Cl8 N32 -","8","2","","Otani, Takashi; Sasayama, Takuma; Iwashimizu, Chisaki; Kanyiva, Kyalo Stephen; Kawai, Hidetoshi; Shibata, Takanori","Short-step synthesis and chiroptical properties of polyaza[5]-[9]helicenes with blue to green-colour emission.","Chemical communications (Cambridge, England)","2020","56","32","4484","4487","10.1039/d0cc01194k","","","1.54187","CuKα","","0.0667","0.0628","","","0.166","0.1696","","","","","","1.021","","","","has coordinates","251550","2020-10-21","18:00:00",""
"7126181","11.4592","0.0007","12.9511","0.0008","16.7818","0.0011","67.616","0.004","88.901","0.004","64.349","0.004","2044","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","AQM pyrazinophane 5","AQM Dimer 5","","- C44 H28 N4 S8 -","- C44 H28 N4 S8 -","- C88 H56 N8 S16 -","2","1","","Anderson, Christopher L.; Liang, Jiatao; Teat, Simon J.; Garzón-Ruiz, Andrés; Nenon, David P.; Navarro, Amparo; Liu, Yi","A highly substituted pyrazinophane generated from a quinoidal system via a cascade reaction.","Chemical communications (Cambridge, England)","2020","56","32","4472","4475","10.1039/d0cc00916d","","","0.7749","synchrotron","","0.084","0.062","","","0.1592","0.1766","","","","","","1.045","","","","has coordinates,has disorder","251555","2020-10-21","18:00:00",""
"7126182","5.4963","0.0003","10.4093","0.0005","17.0568","0.0008","90","","98.615","0.002","90","","964.85","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","AQM Analog 8","AQM Monomeric Analog 8","","- C22 H16 N2 S4 -","- C22 H16 N2 S4 -","- C44 H32 N4 S8 -","2","0.5","","Anderson, Christopher L.; Liang, Jiatao; Teat, Simon J.; Garzón-Ruiz, Andrés; Nenon, David P.; Navarro, Amparo; Liu, Yi","A highly substituted pyrazinophane generated from a quinoidal system via a cascade reaction.","Chemical communications (Cambridge, England)","2020","56","32","4472","4475","10.1039/d0cc00916d","","","0.7288","synchrotron","","0.0331","0.0318","","","0.0793","0.0806","","","","","","1.091","","","","has coordinates,has disorder","251555","2020-10-21","18:00:00",""
"7126183","9.4415","0.0001","11.5767","0.0002","15.2148","0.0002","91.73","0.001","103.575","0.001","110.232","0.001","1505.45","0.04","170","0.11","170","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C39 H25 Cl2 N3 O2 -","- C39 H25 Cl2 N3 O2 -","- C78 H50 Cl4 N6 O4 -","2","1","","Zhang, Liang; Li, Meng; Gao, Qing-Yu; Chen, Chuan-Feng","An ultralong room-temperature phosphorescent material based on the combination of small singlet-triplet splitting energy and H-aggregation.","Chemical communications (Cambridge, England)","2020","56","31","4296","4299","10.1039/c9cc09636a","","x-ray","1.54184","CuKα","","0.0444","0.0425","","","0.109","0.112","","","","","","1.054","","","","has coordinates","251577","2020-10-21","18:00:00",""
"7126184","15.82204","0.00012","15.82204","0.00012","44.7484","0.0004","90","","90","","90","","11202.2","0.16","169.99","0.11","169.99","0.11","","","","","","","","4","P 41","P 4w","76","","","","- C38 H23 N3 O2 -","- C38 H23 N3 O2 -","- C608 H368 N48 O32 -","16","4","","Zhang, Liang; Li, Meng; Gao, Qing-Yu; Chen, Chuan-Feng","An ultralong room-temperature phosphorescent material based on the combination of small singlet-triplet splitting energy and H-aggregation.","Chemical communications (Cambridge, England)","2020","56","31","4296","4299","10.1039/c9cc09636a","","x-ray","1.54184","CuKα","","0.0599","0.0463","","","0.1147","0.1278","","","","","","1.038","","","","has coordinates","251577","2020-10-21","18:00:00",""
"7126185","14.8599","0.0007","14.7377","0.0006","15.2073","0.0007","90","","109.961","0.006","90","","3130.3","0.3","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis-(tetraphenylphosphonium)-dodecacyano-closo-dodecaborate","","- C59.56 H40 B12 I0.44 N11.57 P2 -","- C59.5646 H40 B12 I0.4354 N11.5646 P2 -","- C119.129 H80 B24 I0.8708 N23.1292 P4 -","2","0.5","","Mayer, Martin; Rohdenburg, Markus; van Lessen, Valentin; Nierstenhöfer, Marc C; Aprà, Edoardo; Grabowsky, Simon; Asmis, Knut R.; Jenne, Carsten; Warneke, Jonas","First steps towards a stable neon compound: observation and bonding analysis of [B<sub>12</sub>(CN)<sub>11</sub>Ne]<sup/>.","Chemical communications (Cambridge, England)","2020","56","33","4591","4594","10.1039/d0cc01423k","","x-ray","0.71073","MoKα","","0.053","0.0388","","","0.0932","0.1011","","","","","","1.034","","","","has coordinates,has disorder","251561","2020-10-21","18:00:00",""
"7126186","17.3516","0.0003","11.231","0.0002","10.6444","0.0002","90","","106.111","0.0019","90","","1992.86","0.06","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 B F I N O6 -","- C17 H22 B F I N O6 -","- C68 H88 B4 F4 I4 N4 O24 -","4","1","","Zeng, Yao-Fu; Liu, Xu-Ge; Tan, Dong-Hang; Fan, Wen-Xin; Li, Yi-Na; Guo, Yu; Wang, Honggen","Halohydroxylation of alkenyl MIDA boronates: switchable stereoselectivity induced by B(MIDA) substituent.","Chemical communications (Cambridge, England)","2020","56","31","4332","4335","10.1039/d0cc00722f","","x-ray","1.54184","CuKα","","0.0844","0.0806","","","0.2272","0.2355","","","","","","1.0517","","","","has coordinates","251573","2020-10-21","18:00:00",""
"7126187","21.4754","0.0005","6.47129","0.00011","24.0236","0.0006","90","","114.374","0.003","90","","3041.07","0.14","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H17 B Br N O5 -","- C14 H17 B Br N O5 -","- C112 H136 B8 Br8 N8 O40 -","8","1","","Zeng, Yao-Fu; Liu, Xu-Ge; Tan, Dong-Hang; Fan, Wen-Xin; Li, Yi-Na; Guo, Yu; Wang, Honggen","Halohydroxylation of alkenyl MIDA boronates: switchable stereoselectivity induced by B(MIDA) substituent.","Chemical communications (Cambridge, England)","2020","56","31","4332","4335","10.1039/d0cc00722f","","x-ray","1.54184","CuKα","","0.0292","0.0276","","","0.074","0.0753","","","","","","1.0609","","","","has coordinates","251573","2020-10-21","18:00:00",""
"7126188","13.2673","0.0003","66.3212","0.0015","19.2434","0.0005","90","","90","","90","","16932.3","0.7","173","2","173","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","2,6-Bis[1-(4-carboxyphenylimino)ethyl] pyridine cobalt chloride, 2,6-Bis[1-(4-carboxyphenylimino)ethyl] pyridine cobalt, acetonitrile solvate","","- C150 H130 Cl4 Co3 N24 O24 -","- C150 H130 Cl4 Co3 N24 O24 -","- C600 H520 Cl16 Co12 N96 O96 -","4","0.5","","Wang, Hao; Sayed, Sayed Youssef; Zhou, Yuqiao; Olsen, Brian C.; Luber, Erik J.; Buriak, Jillian M.","Water-soluble pH-switchable cobalt complexes for aqueous symmetric redox flow batteries.","Chemical communications (Cambridge, England)","2020","56","25","3605","3608","10.1039/d0cc00383b","","","1.54178","CuKα","","0.074","0.061","","","0.1369","0.1446","","","","","","1.052","","","","has coordinates","250183","2020-10-21","18:00:00",""
"7126189","5.182","0.002","16.682","0.007","22.341","0.01","90","","95.945","0.011","90","","1920.9","1.4","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 N3 -","- C28 H19 N3 -","- C112 H76 N12 -","4","1","","Ishi-I, Tsutomu; Tanaka, Honoka; Park, In Seob; Yasuda, Takuma; Kato, Shin-Ichiro; Ito, Mitsunori; Hiyoshi, Hidetaka; Matsumoto, Taisuke","White-light emission from a pyrimidine-carbazole conjugate with tunable phosphorescence-fluorescence dual emission and multicolor emission switching.","Chemical communications (Cambridge, England)","2020","56","29","4051","4054","10.1039/d0cc00251h","","","0.71075","MoKα","","0.1143","0.0988","","","0.2147","0.2269","","","","","","1.19","","","","has coordinates","251541","2020-10-21","18:00:00",""
"7126190","5.421","0.003","15.895","0.01","24.997","0.016","90","","94.464","0.014","90","","2147","2","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Cl2 N3 -","- C28 H17 Cl2 N3 -","- C112 H68 Cl8 N12 -","4","1","","Ishi-I, Tsutomu; Tanaka, Honoka; Park, In Seob; Yasuda, Takuma; Kato, Shin-Ichiro; Ito, Mitsunori; Hiyoshi, Hidetaka; Matsumoto, Taisuke","White-light emission from a pyrimidine-carbazole conjugate with tunable phosphorescence-fluorescence dual emission and multicolor emission switching.","Chemical communications (Cambridge, England)","2020","56","29","4051","4054","10.1039/d0cc00251h","","","0.71075","MoKα","","0.1521","0.1047","","","0.2499","0.2921","","","","","","1.134","","","","has coordinates","251541","2020-10-21","18:00:00",""
"7126191","7.5013","0.0004","12.4477","0.0007","23.8886","0.0011","90","","95.423","0.004","90","","2220.6","0.2","123","","123","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C28 H17 Br2 N3 -","- C28 H17 Br2 N3 -","- C112 H68 Br8 N12 -","4","0.5","","Ishi-I, Tsutomu; Tanaka, Honoka; Park, In Seob; Yasuda, Takuma; Kato, Shin-Ichiro; Ito, Mitsunori; Hiyoshi, Hidetaka; Matsumoto, Taisuke","White-light emission from a pyrimidine-carbazole conjugate with tunable phosphorescence-fluorescence dual emission and multicolor emission switching.","Chemical communications (Cambridge, England)","2020","56","29","4051","4054","10.1039/d0cc00251h","","x-ray","0.71073","MoKα","","0.0448","0.0372","","","0.0819","0.0848","","","","","","1.049","","","","has coordinates","251541","2020-10-21","18:00:00",""
"7126192","5.3634","0.0003","15.7657","0.0007","25.1499","0.0011","90","","94.964","0.004","90","","2118.64","0.18","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Br2 N3 -","- C28 H17 Br2 N3 -","- C112 H68 Br8 N12 -","4","1","","Ishi-I, Tsutomu; Tanaka, Honoka; Park, In Seob; Yasuda, Takuma; Kato, Shin-Ichiro; Ito, Mitsunori; Hiyoshi, Hidetaka; Matsumoto, Taisuke","White-light emission from a pyrimidine-carbazole conjugate with tunable phosphorescence-fluorescence dual emission and multicolor emission switching.","Chemical communications (Cambridge, England)","2020","56","29","4051","4054","10.1039/d0cc00251h","","x-ray","0.71073","MoKα","","0.0971","0.075","","","0.1929","0.2063","","","","","","1.042","","","","has coordinates","251541","2020-10-21","18:00:00",""
"7126193","19.6547","0.0006","5.3445","0.0003","43.593","0.002","90","","97.224","0.004","90","","4542.9","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29.75 H19 Br2 N3 -","- C29.75 H19 Br2 N3 -","- C238 H152 Br16 N24 -","8","2","","Ishi-I, Tsutomu; Tanaka, Honoka; Park, In Seob; Yasuda, Takuma; Kato, Shin-Ichiro; Ito, Mitsunori; Hiyoshi, Hidetaka; Matsumoto, Taisuke","White-light emission from a pyrimidine-carbazole conjugate with tunable phosphorescence-fluorescence dual emission and multicolor emission switching.","Chemical communications (Cambridge, England)","2020","56","29","4051","4054","10.1039/d0cc00251h","","x-ray","0.71073","MoKα","","0.0638","0.0474","","","0.0838","0.0885","","","","","","1.057","","","","has coordinates,has disorder","251541","2020-10-21","18:00:00",""
"7126194","9.8581","0.0004","18.755","0.0008","14.3424","0.0006","90","","90","","90","","2651.75","0.19","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H22 N10 O18 Th -","- C12 H22 N10 O18 Th -","- C48 H88 N40 O72 Th4 -","4","0.5","","Kelley, Steven P.; Smetana, Volodymyr; Emerson, Stephen D.; Mudring, Anja-Verena; Rogers, Robin D.","Benchtop access to anhydrous actinide N-donor coordination complexes using ionic liquids.","Chemical communications (Cambridge, England)","2020","56","30","4232","4235","10.1039/c9cc09852f","","","0.71073","MoKα","","0.0543","0.0224","","","0.039","0.0455","","","","","","0.993","","","","has coordinates","251570","2020-10-21","18:00:00",""
"7126195","7.5785","0.0003","7.5951","0.0003","7.6538","0.0003","117.032","0.002","102.909","0.002","92.179","0.002","377.53","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H12 N6 O8 U -","- C8 H12 N6 O8 U -","- C8 H12 N6 O8 U -","1","0.5","","Kelley, Steven P.; Smetana, Volodymyr; Emerson, Stephen D.; Mudring, Anja-Verena; Rogers, Robin D.","Benchtop access to anhydrous actinide N-donor coordination complexes using ionic liquids.","Chemical communications (Cambridge, England)","2020","56","30","4232","4235","10.1039/c9cc09852f","","","0.71073","MoKα","","0.0167","0.0167","","","0.0352","0.0352","","","","","","1.038","","","","has coordinates","251570","2020-10-21","18:00:00",""
"7126196","9.1942","0.0003","5.8616","0.0002","12.1915","0.0004","90","","91.678","0.001","90","","656.75","0.04","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 N6 O8 U -","- C6 H8 N6 O8 U -","- C12 H16 N12 O16 U2 -","2","0.5","","Kelley, Steven P.; Smetana, Volodymyr; Emerson, Stephen D.; Mudring, Anja-Verena; Rogers, Robin D.","Benchtop access to anhydrous actinide N-donor coordination complexes using ionic liquids.","Chemical communications (Cambridge, England)","2020","56","30","4232","4235","10.1039/c9cc09852f","","","0.71073","MoKα","","0.0191","0.013","","","0.0357","0.039","","","","","","1.085","","","","has coordinates","251570","2020-10-21","18:00:00",""
"7126197","15.7287","0.0013","12.981","0.001","14.2585","0.0012","90","","98.8468","0.0017","90","","2876.6","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H25 N13 O15 Th -","- C16 H25 N13 O15 Th -","- C64 H100 N52 O60 Th4 -","4","0.5","","Kelley, Steven P.; Smetana, Volodymyr; Emerson, Stephen D.; Mudring, Anja-Verena; Rogers, Robin D.","Benchtop access to anhydrous actinide N-donor coordination complexes using ionic liquids.","Chemical communications (Cambridge, England)","2020","56","30","4232","4235","10.1039/c9cc09852f","","","0.71073","MoKα","","0.0179","0.0167","","","0.0397","0.0401","","","","","","1.019","","","","has coordinates","251570","2020-10-21","18:00:00",""
"7126198","8.5201","0.0011","9.1476","0.0012","20.323","0.003","90","","97.003","0.008","90","","1572.1","0.4","571","2","571","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 N5 O11 U -","- C6 H11 N5 O11 U -","- C24 H44 N20 O44 U4 -","4","1","","Kelley, Steven P.; Smetana, Volodymyr; Emerson, Stephen D.; Mudring, Anja-Verena; Rogers, Robin D.","Benchtop access to anhydrous actinide N-donor coordination complexes using ionic liquids.","Chemical communications (Cambridge, England)","2020","56","30","4232","4235","10.1039/c9cc09852f","","","0.71073","MoKα","","0.1485","0.0822","","","0.2011","0.2311","","","","","","1.106","","","","has coordinates","251570","2020-10-21","18:00:00",""
"7126199","9.7722","0.0003","11.8036","0.0004","23.0503","0.0008","90","","90","","90","","2658.79","0.15","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H22 N10 O18 Th -","- C12 H22 N10 O18 Th -","- C48 H88 N40 O72 Th4 -","4","0.5","","Kelley, Steven P.; Smetana, Volodymyr; Emerson, Stephen D.; Mudring, Anja-Verena; Rogers, Robin D.","Benchtop access to anhydrous actinide N-donor coordination complexes using ionic liquids.","Chemical communications (Cambridge, England)","2020","56","30","4232","4235","10.1039/c9cc09852f","","","0.71073","MoKα","","0.034","0.0233","","","0.0539","0.059","","","","","","1.097","","","","has coordinates","251570","2020-10-21","18:00:00",""
"7126200","11.52","0.005","12.224","0.005","12.375","0.005","88.974","0.005","72.739","0.005","85.516","0.005","1659.1","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 N10 O19 U2 -","- C21 H23 N10 O19 U2 -","- C42 H46 N20 O38 U4 -","2","1","","Kelley, Steven P.; Smetana, Volodymyr; Emerson, Stephen D.; Mudring, Anja-Verena; Rogers, Robin D.","Benchtop access to anhydrous actinide N-donor coordination complexes using ionic liquids.","Chemical communications (Cambridge, England)","2020","56","30","4232","4235","10.1039/c9cc09852f","","","0.71073","MoKα","","0.0483","0.0295","","","0.07","0.0793","","","","","","0.874","","","","has coordinates","251570","2020-10-21","18:00:00",""
"7126201","8.045","0.0006","8.9535","0.0006","12.195","0.0009","96.322","0.006","91.386","0.005","92.148","0.005","872.11","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H13 Br Fe N4 O3 -","- C16 H13 Br Fe N4 O3 -","- C32 H26 Br2 Fe2 N8 O6 -","2","1","","Wright, Mark A.; Wooldridge, Tyler; O'Connell, Maria A; Wright, Joseph A.","Ferracyclic carbonyl complexes as anti-inflammatory agents.","Chemical communications (Cambridge, England)","2020","56","31","4300","4303","10.1039/d0cc01449d","","","0.71075","MoKα","","0.0433","0.0396","","","0.1121","0.1148","","","","","","1.07","","","","has coordinates","251579","2020-10-21","18:00:00",""
"7126202","23.8608","0.0007","13.3771","0.0005","15.4092","0.0005","90","","101.705","0.003","90","","4816.2","0.3","139.9","0.8","139.9","0.8","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C39 H51 Fe2 N4 O20.5 S2 -","- C39 H51 Fe2 N4 O20.5 S2 -","- C156 H204 Fe8 N16 O82 S8 -","4","1","","Wright, Mark A.; Wooldridge, Tyler; O'Connell, Maria A; Wright, Joseph A.","Ferracyclic carbonyl complexes as anti-inflammatory agents.","Chemical communications (Cambridge, England)","2020","56","31","4300","4303","10.1039/d0cc01449d","","x-ray","0.71073","MoKα","","0.1028","0.0639","","","0.1535","0.1753","","","","","","1.035","","","","has coordinates,has disorder","251579","2020-10-21","18:00:00",""
"7126203","38.6912","0.0008","13.8512","0.0003","12.528","0.0003","90","","90","","90","","6714","0.3","293","2","293","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C39 H24 Cl4 N2 O -","- C39 H24 Cl4 N2 O -","- C312 H192 Cl32 N16 O8 -","8","1","","Wu, Shaonan; Wang, Zhuo; Bao, Yinwei; Chen, Chen; Liu, Kun; Zhu, Bolin","A novel approach for rhodium(iii)-catalyzed C-H functionalization of 2,2'-bipyridine derivatives with alkynes: a significant substituent effect.","Chemical communications (Cambridge, England)","2020","56","32","4408","4411","10.1039/d0cc01077d","","x-ray","1.54184","CuKα","","0.0595","0.056","","","0.1584","0.1636","","","","","","1.023","","","","has coordinates","251553","2020-10-21","18:00:00",""
"7126204","29.056","0.006","9.526","0.002","33.069","0.008","90","","90","","90","","9153","3","296","2","296.15","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C20 H26 Br Cl2 N2 O2 Rh -","- C20 H26 Br Cl2 N2 O2 Rh -","- C320 H416 Br16 Cl32 N32 O32 Rh16 -","16","2","","Wu, Shaonan; Wang, Zhuo; Bao, Yinwei; Chen, Chen; Liu, Kun; Zhu, Bolin","A novel approach for rhodium(iii)-catalyzed C-H functionalization of 2,2'-bipyridine derivatives with alkynes: a significant substituent effect.","Chemical communications (Cambridge, England)","2020","56","32","4408","4411","10.1039/d0cc01077d","","","0.71073","MoKα","","0.1615","0.0935","","","0.1352","0.1588","","","","","","1.102","","","","has coordinates","295359","2024-10-08","18:26:31",""
"7126205","21.018","0.009","10.048","0.004","27.166","0.012","90","","90","","90","","5737","4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H25 Br N2 -","- C38 H25 Br N2 -","- C304 H200 Br8 N16 -","8","1","","Wu, Shaonan; Wang, Zhuo; Bao, Yinwei; Chen, Chen; Liu, Kun; Zhu, Bolin","A novel approach for rhodium(iii)-catalyzed C-H functionalization of 2,2'-bipyridine derivatives with alkynes: a significant substituent effect.","Chemical communications (Cambridge, England)","2020","56","32","4408","4411","10.1039/d0cc01077d","","","0.71073","MoKα","","0.1919","0.0855","","","0.1898","0.2298","","","","","","0.771","","","","has coordinates","251553","2020-10-21","18:00:00",""
"7126206","8.968","0.003","11.141","0.004","11.249","0.003","65.119","0.005","83.659","0.006","80.437","0.006","1004.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H21 Br Cl N2 Rh -","- C20 H21 Br Cl N2 Rh -","- C40 H42 Br2 Cl2 N4 Rh2 -","2","1","","Wu, Shaonan; Wang, Zhuo; Bao, Yinwei; Chen, Chen; Liu, Kun; Zhu, Bolin","A novel approach for rhodium(iii)-catalyzed C-H functionalization of 2,2'-bipyridine derivatives with alkynes: a significant substituent effect.","Chemical communications (Cambridge, England)","2020","56","32","4408","4411","10.1039/d0cc01077d","","","0.71073","MoKα","","0.0686","0.0603","","","0.1799","0.1917","","","","","","1.078","","","","has coordinates","251553","2020-10-21","18:00:00",""
"7126207","11.4817","0.0008","20.8558","0.0013","14.978","0.001","90","","111.615","0.008","90","","3334.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 Br Cl N2 Rh -","- C34 H31 Br Cl N2 Rh -","- C136 H124 Br4 Cl4 N8 Rh4 -","4","1","","Wu, Shaonan; Wang, Zhuo; Bao, Yinwei; Chen, Chen; Liu, Kun; Zhu, Bolin","A novel approach for rhodium(iii)-catalyzed C-H functionalization of 2,2'-bipyridine derivatives with alkynes: a significant substituent effect.","Chemical communications (Cambridge, England)","2020","56","32","4408","4411","10.1039/d0cc01077d","","x-ray","0.71073","MoKα","","0.0655","0.0429","","","0.0922","0.1055","","","","","","1.02","","","","has coordinates","251553","2020-10-21","18:00:00",""
"7126208","9.1606","0.0006","9.7305","0.0006","7.8691","0.0006","90","","102.839","0.007","90","","683.89","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Malonic dihydrazide","Propanedihydrazide","","- C3 H10 N4 O3 -","- C3 H10 N4 O3 -","- C12 H40 N16 O12 -","4","1","","Guan, Ruifang; Dong, Baoli; Xu, Cui; Zhang, Hao; Cao, Duxia; Lin, Weiying","A strategy to construct fluorescent non-aromatic small-molecules: hydrogen bonds contributing to the unexpected fluorescence.","Chemical communications (Cambridge, England)","2020","56","32","4424","4427","10.1039/c9cc09906a","","","0.71073","MoKα","","0.0403","0.033","","","0.0791","0.0829","","","","","","1.05","","","","has coordinates","251548","2020-10-21","18:00:00",""
"7126209","8.4235","0.0005","10.6627","0.0007","12.6898","0.0008","90","","90","","90","","1139.76","0.12","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Zhou, Pan; Xu, Tao","Nickel-catalyzed intramolecular desymmetrization addition of aryl halides to 1,3-diketones.","Chemical communications (Cambridge, England)","2020","56","59","8194","8197","10.1039/d0cc00457j","","","1.34138","GaKα","","0.0287","0.0274","","","0.0704","0.0721","","","","","","1.048","","","","has coordinates","254906","2020-10-21","18:00:00",""
"7126210","17.7","0.002","10.2249","0.0012","20.534","0.003","90","","101.099","0.002","90","","3646.7","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 Fe N2 O2 -","- C44 H46 Fe N2 O2 -","- C176 H184 Fe4 N8 O8 -","4","1","","Kephart, Jonathan A.; Hecht, Zachary; Livesay, Brooke N.; Bhowmick, Indrani; Shores, Matthew P.; Popescu, V. Codrina; Arulsamy, Navamoney; Hulley, Elliott B.","Self-assembly of an organometallic Fe<sub>9</sub>O<sub>6</sub> cluster from aerobic oxidation of (tmeda)Fe(CH<sub>2</sub><sup>t</sup>Bu)<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","37","4994","4997","10.1039/d0cc00011f","","","0.71073","MoKα","","0.1281","0.0578","","","0.1086","0.1364","","","","","","1.006","","","","has coordinates","252689","2020-10-21","18:00:00",""
"7126211","16.9429","0.0013","16.9429","0.0013","23.233","0.002","90","","90","","120","","5775.8","0.8","116","2","116","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C53 H126 Fe9 N6 O6 -","- C48 H114 Fe9 N6 O6 -","- C144 H342 Fe27 N18 O18 -","3","0.166667","","Kephart, Jonathan A.; Hecht, Zachary; Livesay, Brooke N.; Bhowmick, Indrani; Shores, Matthew P.; Popescu, V. Codrina; Arulsamy, Navamoney; Hulley, Elliott B.","Self-assembly of an organometallic Fe<sub>9</sub>O<sub>6</sub> cluster from aerobic oxidation of (tmeda)Fe(CH<sub>2</sub><sup>t</sup>Bu)<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","37","4994","4997","10.1039/d0cc00011f","","","0.71073","MoKα","","0.0403","0.0274","","","0.0483","0.0519","","","","","","0.972","","","","has coordinates","252689","2020-10-21","18:00:00",""
"7126212","8.262","0.0006","11.3867","0.0008","22.2514","0.0015","91.776","0.002","94.224","0.002","94.328","0.002","2080.3","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Br F3 N O2 -","- C24 H19 Br F3 N O2 -","- C96 H76 Br4 F12 N4 O8 -","4","2","","Huang, Jie; Li, Feng; Cui, Lei; Su, Shikuan; Jia, Xueshun; Li, Jian","Palladium-catalyzed cascade reactions of enynones and isocyanides: access towards functionalized ketenimine and its application.","Chemical communications (Cambridge, England)","2020","56","33","4555","4558","10.1039/c9cc09363j","","","1.34138","GaKα","","0.0568","0.051","","","0.1508","0.1576","","","","","","1.103","","","","has coordinates","251562","2020-10-21","18:00:00",""
"7126213","10.8209","0.0009","13.1614","0.0009","23.1775","0.0018","90","","103.056","0.005","90","","3215.6","0.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 Br3 N2 O5 -","- C34 H27 Br3 N2 O5 -","- C136 H108 Br12 N8 O20 -","4","1","","Huang, Jie; Li, Feng; Cui, Lei; Su, Shikuan; Jia, Xueshun; Li, Jian","Palladium-catalyzed cascade reactions of enynones and isocyanides: access towards functionalized ketenimine and its application.","Chemical communications (Cambridge, England)","2020","56","33","4555","4558","10.1039/c9cc09363j","","","1.34139","GaKα","","0.0917","0.0492","","","0.1084","0.1267","","","","","","0.983","","","","has coordinates","251562","2020-10-21","18:00:00",""
"7126214","9.353","0.0007","12.8318","0.0009","15.0588","0.0011","111.452","0.003","102.192","0.003","91.234","0.003","1634.4","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H25 I8 N11 Sn2 -","- C7 H25 I8 N11 Sn2 -","- C14 H50 I16 N22 Sn4 -","2","1","","McNulty, Jason A.; Lightfoot, Philip","Unprecedented tin iodide perovskite-like structures featuring ordering of organic moieties.","Chemical communications (Cambridge, England)","2020","56","33","4543","4546","10.1039/d0cc00549e","","","0.71075","MoKα","","0.041","0.0263","","","0.0602","0.0725","","","","","","1.017","","","","has coordinates","251560","2020-10-21","18:00:00",""
"7126215","9.0746","0.0006","9.0746","0.0006","25.3561","0.0018","90","","90","","90","","2088","0.2","173","","173","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C3 H10 I6 N6 Sn2 -","- C3 H10 I6 N6 Sn2 -","- C12 H40 I24 N24 Sn8 -","4","0.5","","McNulty, Jason A.; Lightfoot, Philip","Unprecedented tin iodide perovskite-like structures featuring ordering of organic moieties.","Chemical communications (Cambridge, England)","2020","56","33","4543","4546","10.1039/d0cc00549e","","","0.71075","MoKα","","0.0257","0.0239","","","0.0586","0.0592","","","","","","1.047","","","","has coordinates,has disorder","251560","2020-10-21","18:00:00",""
"7126216","10.8558","0.0003","19.5631","0.0005","14.1328","0.0005","90","","97.318","0.003","90","","2976.98","0.16","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C47 H50 Al F36 N5 O4 Si -","- C47 H50 Al F36 N5 O4 Si -","- C94 H100 Al2 F72 N10 O8 Si2 -","2","0.5","","Do, Dinh Cao Huan; Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; Vasko, Petra; Aldridge, Simon","N-H cleavage vs. Werner complex formation: reactivity of cationic group 14 tetrelenes towards amines.","Chemical communications (Cambridge, England)","2020","56","34","4684","4687","10.1039/d0cc00875c","","","1.54184","CuKα","","0.0833","0.0671","","","0.179","0.1983","","","","","","1.021","","","","has coordinates,has disorder","251587","2020-10-21","18:00:00",""
"7126217","10.8096","0.0002","36.2399","0.0005","15.9889","0.0003","90","","92.324","0.002","90","","6258.32","0.19","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C48 H49 Al Cl2 F36 N4 O4 Si -","- C48 H49 Al Cl2 F36 N4 O4 Si -","- C192 H196 Al4 Cl8 F144 N16 O16 Si4 -","4","2","","Do, Dinh Cao Huan; Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; Vasko, Petra; Aldridge, Simon","N-H cleavage vs. Werner complex formation: reactivity of cationic group 14 tetrelenes towards amines.","Chemical communications (Cambridge, England)","2020","56","34","4684","4687","10.1039/d0cc00875c","","","1.54184","CuKα","","0.1566","0.1471","","","0.3855","0.4004","","","","","","1.723","","","","has coordinates,has disorder","251587","2020-10-21","18:00:00",""
"7126218","11.0279","0.0001","19.9344","0.0002","17.9479","0.0002","90","","107.293","0.001","90","","3767.22","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C57 H72 Al F36 N5 O4 Sn -","- C57 H72 Al F36 N5 O4 Sn -","- C114 H144 Al2 F72 N10 O8 Sn2 -","2","1","","Do, Dinh Cao Huan; Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; Vasko, Petra; Aldridge, Simon","N-H cleavage vs. Werner complex formation: reactivity of cationic group 14 tetrelenes towards amines.","Chemical communications (Cambridge, England)","2020","56","34","4684","4687","10.1039/d0cc00875c","","","1.54184","CuKα","","0.0522","0.049","","","0.1353","0.1408","","","","","","1.051","","","","has coordinates,has disorder","251587","2020-10-21","18:00:00",""
"7126219","13.993","0.0001","19.5525","0.0002","21.6682","0.0002","90","","98.012","0.001","90","","5870.51","0.09","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H47 Al F36 N4 O4 Si -","- C47 H47 Al F36 N4 O4 Si -","- C188 H188 Al4 F144 N16 O16 Si4 -","4","1","","Do, Dinh Cao Huan; Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; Vasko, Petra; Aldridge, Simon","N-H cleavage vs. Werner complex formation: reactivity of cationic group 14 tetrelenes towards amines.","Chemical communications (Cambridge, England)","2020","56","34","4684","4687","10.1039/d0cc00875c","","","1.54184","CuKα","","0.0965","0.0852","","","0.2387","0.2547","","","","","","1.051","","","","has coordinates,has disorder","251587","2020-10-21","18:00:00",""
"7126220","11.2303","0.0003","14.7524","0.0005","20.0867","0.0005","80.757","0.003","87.515","0.002","86.337","0.003","3276.07","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H58 Al F36 Ge N5 O4 -","- C51 H58 Al F36 Ge N5 O4 -","- C102 H116 Al2 F72 Ge2 N10 O8 -","2","1","","Do, Dinh Cao Huan; Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; Vasko, Petra; Aldridge, Simon","N-H cleavage vs. Werner complex formation: reactivity of cationic group 14 tetrelenes towards amines.","Chemical communications (Cambridge, England)","2020","56","34","4684","4687","10.1039/d0cc00875c","","","1.54184","CuKα","","0.0553","0.0456","","","0.1209","0.1313","","","","","","1.022","","","","has coordinates","251587","2020-10-21","18:00:00",""
"7126221","13.9314","0.0003","19.6837","0.0003","21.7403","0.0004","90","","98.072","0.002","90","","5902.59","0.19","150","2","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H47 Al F36 Ge N4 O4 -","- C47 H47 Al F36 Ge N4 O4 -","- C188 H188 Al4 F144 Ge4 N16 O16 -","4","1","","Do, Dinh Cao Huan; Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; Vasko, Petra; Aldridge, Simon","N-H cleavage vs. Werner complex formation: reactivity of cationic group 14 tetrelenes towards amines.","Chemical communications (Cambridge, England)","2020","56","34","4684","4687","10.1039/d0cc00875c","","","1.54184","CuKα","","0.0972","0.0914","","","0.2905","0.3068","","","","","","1.469","","","","has coordinates,has disorder","251587","2020-10-21","18:00:00",""
"7126222","11.1801","0.0006","14.7647","0.0009","20.0683","0.0008","82.558","0.004","87.937","0.004","85.473","0.005","3273.4","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H58 Al F36 N5 O4 Si -","- C51 H58 Al F36 N5 O4 Si -","- C102 H116 Al2 F72 N10 O8 Si2 -","2","1","","Do, Dinh Cao Huan; Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; Vasko, Petra; Aldridge, Simon","N-H cleavage vs. Werner complex formation: reactivity of cationic group 14 tetrelenes towards amines.","Chemical communications (Cambridge, England)","2020","56","34","4684","4687","10.1039/d0cc00875c","","","1.54184","CuKα","","0.1273","0.0747","","","0.2003","0.2381","","","","","","1.021","","","","has coordinates","251587","2020-10-21","18:00:00",""
"7126223","16.261","0.0001","19.8055","0.0001","18.8111","0.0001","90","","103.171","0.001","90","","5898.88","0.06","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H47 Al F36 N4 O4 Sn -","- C47 H47 Al F36 N4 O4 Sn -","- C188 H188 Al4 F144 N16 O16 Sn4 -","4","1","","Do, Dinh Cao Huan; Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; Vasko, Petra; Aldridge, Simon","N-H cleavage vs. Werner complex formation: reactivity of cationic group 14 tetrelenes towards amines.","Chemical communications (Cambridge, England)","2020","56","34","4684","4687","10.1039/d0cc00875c","","","1.54184","CuKα","","0.047","0.0451","","","0.1257","0.1278","","","","","","1.035","","","","has coordinates,has disorder","251587","2020-10-21","18:00:00",""
"7126224","17.2715","0.0008","27.171","0.003","7.9406","0.0007","90","","90","","90","","3726.4","0.6","293","2","293","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C34 H22 F10 I2 N2 O S2 -","- C34 H22 F10 I2 N2 O S2 -","- C136 H88 F40 I8 N8 O4 S8 -","4","1","","Sobczak, Szymon; Półrolniczak, Aleksandra; Ratajczyk, Paulina; Cai, Weizhao; Gładysiak, Andrzej; Nikolayenko, Varvara I.; Castell, Dominic C.; Barbour, Leonard J.; Katrusiak, Andrzej","Large negative linear compressibility of a porous molecular co-crystal.","Chemical communications (Cambridge, England)","2020","56","31","4324","4327","10.1039/d0cc00461h","","x-ray","0.71073","MoKα","","0.2522","0.1685","","","0.3775","0.4266","","","","","","1.108","","","","has coordinates,has disorder","251571","2020-10-21","18:00:00",""
"7126225","17.564","0.01","25.64","0.04","7.07","0.03","90","","90","","90","","3184","15","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H18 F10 I2 N2 O S2 -","- C31 H18 F10 I2 N2 O S2 -","- C124 H72 F40 I8 N8 O4 S8 -","4","1","","Sobczak, Szymon; Półrolniczak, Aleksandra; Ratajczyk, Paulina; Cai, Weizhao; Gładysiak, Andrzej; Nikolayenko, Varvara I.; Castell, Dominic C.; Barbour, Leonard J.; Katrusiak, Andrzej","Large negative linear compressibility of a porous molecular co-crystal.","Chemical communications (Cambridge, England)","2020","56","31","4324","4327","10.1039/d0cc00461h","","x-ray","0.71073","MoKα","","0.2562","0.1726","","","0.4108","0.482","","","","","","1.772","","","","has coordinates","251571","2020-10-21","18:00:00",""
"7126226","17.723","0.008","26.15","0.06","7","0.03","90","","90","","90","","3244","16","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H16 F10 I2 N2 S2 -","- C31 H16 F10 I2 N2 S2 -","- C124 H64 F40 I8 N8 S8 -","4","1","","Sobczak, Szymon; Półrolniczak, Aleksandra; Ratajczyk, Paulina; Cai, Weizhao; Gładysiak, Andrzej; Nikolayenko, Varvara I.; Castell, Dominic C.; Barbour, Leonard J.; Katrusiak, Andrzej","Large negative linear compressibility of a porous molecular co-crystal.","Chemical communications (Cambridge, England)","2020","56","31","4324","4327","10.1039/d0cc00461h","","x-ray","0.71073","MoKα","","0.4345","0.1738","","","0.3915","0.5193","","","","","","1.055","","","","has coordinates","251571","2020-10-21","18:00:00",""
"7126227","17.556","0.004","26.464","0.017","7.633","0.002","90","","90","","90","","3546","3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H16 F10 I2 N2 S2 -","- C31 H16 F10 I2 N2 S2 -","- C124 H64 F40 I8 N8 S8 -","4","1","","Sobczak, Szymon; Półrolniczak, Aleksandra; Ratajczyk, Paulina; Cai, Weizhao; Gładysiak, Andrzej; Nikolayenko, Varvara I.; Castell, Dominic C.; Barbour, Leonard J.; Katrusiak, Andrzej","Large negative linear compressibility of a porous molecular co-crystal.","Chemical communications (Cambridge, England)","2020","56","31","4324","4327","10.1039/d0cc00461h","","x-ray","0.71073","MoKα","","0.4824","0.2025","","","0.4301","0.5737","","","","","","1.096","","","","has coordinates","251571","2020-10-21","18:00:00",""
"7126228","17.2451","0.0006","27.2415","0.0016","7.9554","0.0003","90","","90","","90","","3737.3","0.3","293","2","293","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C33.85 H24 F10 I2 N2 O2 S2 -","- C33.85 H24 F10 I2 N2 O2 S2 -","- C135.4 H96 F40 I8 N8 O8 S8 -","4","1","","Sobczak, Szymon; Półrolniczak, Aleksandra; Ratajczyk, Paulina; Cai, Weizhao; Gładysiak, Andrzej; Nikolayenko, Varvara I.; Castell, Dominic C.; Barbour, Leonard J.; Katrusiak, Andrzej","Large negative linear compressibility of a porous molecular co-crystal.","Chemical communications (Cambridge, England)","2020","56","31","4324","4327","10.1039/d0cc00461h","","x-ray","0.71073","MoKα","","0.1592","0.119","","","0.2469","0.2726","","","","","","1.078","","","","has coordinates,has disorder","251571","2020-10-21","18:00:00",""
"7126229","17.449","0.004","26.511","0.015","7.536","0.011","90","","90","","90","","3486","6","297.9","0.1","297.9","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H16 F10 I2 N2 S2 -","- C31 H16 F10 I2 N2 S2 -","- C124 H64 F40 I8 N8 S8 -","4","1","","Sobczak, Szymon; Półrolniczak, Aleksandra; Ratajczyk, Paulina; Cai, Weizhao; Gładysiak, Andrzej; Nikolayenko, Varvara I.; Castell, Dominic C.; Barbour, Leonard J.; Katrusiak, Andrzej","Large negative linear compressibility of a porous molecular co-crystal.","Chemical communications (Cambridge, England)","2020","56","31","4324","4327","10.1039/d0cc00461h","","x-ray","0.71073","MoKα","","0.3835","0.1399","","","0.3503","0.4872","","","","","","1.011","","","","has coordinates","251571","2020-10-21","18:00:00",""
"7126230","17.606","0.003","25.58","0.017","6.944","0.009","90","","90","","90","","3127","5","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H18 F10 I2 N2 O S2 -","- C31 H18 F10 I2 N2 O S2 -","- C124 H72 F40 I8 N8 O4 S8 -","4","1","","Sobczak, Szymon; Półrolniczak, Aleksandra; Ratajczyk, Paulina; Cai, Weizhao; Gładysiak, Andrzej; Nikolayenko, Varvara I.; Castell, Dominic C.; Barbour, Leonard J.; Katrusiak, Andrzej","Large negative linear compressibility of a porous molecular co-crystal.","Chemical communications (Cambridge, England)","2020","56","31","4324","4327","10.1039/d0cc00461h","","x-ray","0.71073","MoKα","","0.2098","0.1421","","","0.345","0.4147","","","","","","1.724","","","","has coordinates","251571","2020-10-21","18:00:00",""
"7126231","17.559","0.005","26.315","0.016","7.259","0.008","90","","90","","90","","3354","4","297.9","0.1","297.9","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H16 F10 I2 N2 S2 -","- C31 H16 F10 I2 N2 S2 -","- C124 H64 F40 I8 N8 S8 -","4","1","","Sobczak, Szymon; Półrolniczak, Aleksandra; Ratajczyk, Paulina; Cai, Weizhao; Gładysiak, Andrzej; Nikolayenko, Varvara I.; Castell, Dominic C.; Barbour, Leonard J.; Katrusiak, Andrzej","Large negative linear compressibility of a porous molecular co-crystal.","Chemical communications (Cambridge, England)","2020","56","31","4324","4327","10.1039/d0cc00461h","","x-ray","0.71073","MoKα","","0.4167","0.1781","","","0.3875","0.5136","","","","","","1.07","","","","has coordinates","251571","2020-10-21","18:00:00",""
"7126232","13.7106","0.0003","10.0817","0.0002","19.9799","0.0004","90","","91.438","0.0018","90","","2760.88","0.1","236","20","236","20","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cl3 F N O2 P -","- C24 H24 Cl3 F N O2 P -","- C96 H96 Cl12 F4 N4 O8 P4 -","4","1","","Gou, Xue-Ya; Zhang, Bo-Sheng; Wang, Xin-Gang; Shi, Wei-Yu; Liu, Hong-Chao; An, Yang; Zhang, Zhe; Liang, Yong-Min","Visible-light-induced ligand-free RuCl<sub>3</sub> catalyzed C-H phosphorylation in water.","Chemical communications (Cambridge, England)","2020","56","34","4704","4707","10.1039/d0cc00420k","","x-ray","1.54184","CuKα","","0.0585","0.0487","","","0.1308","0.1399","","","","","","1.046","","","","has coordinates","251589","2020-10-21","18:00:00",""
"7126233","12.845","0.002","16.759","0.003","14.762","0.003","90","","107.779","0.009","90","","3026","1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H88 Li2 N2 O5 -","- C65.996 H87.992 Li2 N2 O4.999 -","- C131.992 H175.984 Li4 N4 O9.998 -","2","1","","Schmidlin, Nadja M. C.; Scherer, Harald; Hoffmann, Anke; Böttcher, Tobias","Isolation and characterization of a lithiated pyridine - aggregation in the solid state and in solution.","Chemical communications (Cambridge, England)","2020","56","30","4160","4163","10.1039/d0cc01355b","","","0.71073","MoKα","","0.0817","0.0773","","","0.2194","0.2218","","","","","","1.113","","","","has coordinates,has disorder","251568","2020-10-21","18:00:00",""
"7126234","8.17188","0.00013","12.40101","0.00016","13.7935","0.0002","90","","91.4883","0.0015","90","","1397.36","0.04","100.01","0.1","100.01","0.1","","","","","","","Fungus","3","P 1 21/n 1","-P 2yn","14","sporormielone A","","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","1","","Chen, Guo-Dong; Hu, Dan; Huang, Mei-Juan; Tang, Jia; Wang, Xiao-Xia; Zou, Jian; Xie, Jun; Zhang, Wei-Guang; Guo, Liang-Dong; Yao, Xin-Sheng; Abe, Ikuro; Gao, Hao","Sporormielones A-E, bioactive novel C-C coupled orsellinic acid derivative dimers, and their biosynthetic origin.","Chemical communications (Cambridge, England)","2020","56","33","4607","4610","10.1039/d0cc00855a","","x-ray","1.54184","CuKα","","0.0397","0.039","","","0.0992","0.0998","","","","","","1.053","","","","has coordinates","251558","2020-10-21","18:00:00",""
"7126235","9.1094","0.0002","10.3354","0.0002","14.8756","0.0003","90","","90","","90","","1400.53","0.05","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","sporormielone E","","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","1","","Chen, Guo-Dong; Hu, Dan; Huang, Mei-Juan; Tang, Jia; Wang, Xiao-Xia; Zou, Jian; Xie, Jun; Zhang, Wei-Guang; Guo, Liang-Dong; Yao, Xin-Sheng; Abe, Ikuro; Gao, Hao","Sporormielones A-E, bioactive novel C-C coupled orsellinic acid derivative dimers, and their biosynthetic origin.","Chemical communications (Cambridge, England)","2020","56","33","4607","4610","10.1039/d0cc00855a","","x-ray","1.54178","CuKα","","0.039","0.0376","","","0.1034","0.1044","","","","","","1.056","","","","has coordinates","251558","2020-10-21","18:00:00",""
"7126236","13.4502","0.001","7.6047","0.0004","15.7124","0.0013","90","","110.641","0.009","90","","1504","0.2","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","sporormielone D","","","- C16 H18 O7 -","- C16 H18 O7 -","- C64 H72 O28 -","4","1","","Chen, Guo-Dong; Hu, Dan; Huang, Mei-Juan; Tang, Jia; Wang, Xiao-Xia; Zou, Jian; Xie, Jun; Zhang, Wei-Guang; Guo, Liang-Dong; Yao, Xin-Sheng; Abe, Ikuro; Gao, Hao","Sporormielones A-E, bioactive novel C-C coupled orsellinic acid derivative dimers, and their biosynthetic origin.","Chemical communications (Cambridge, England)","2020","56","33","4607","4610","10.1039/d0cc00855a","","x-ray","1.54184","CuKα","","0.1528","0.1378","","","0.3092","0.3308","","","","","","1.342","","","","has coordinates","251558","2020-10-21","18:00:00",""
"7126237","8.519","0.0007","16.0695","0.0013","10.3653","0.0008","90","","102.495","0.008","90","","1385.4","0.2","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","sporormielone C","","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","1","","Chen, Guo-Dong; Hu, Dan; Huang, Mei-Juan; Tang, Jia; Wang, Xiao-Xia; Zou, Jian; Xie, Jun; Zhang, Wei-Guang; Guo, Liang-Dong; Yao, Xin-Sheng; Abe, Ikuro; Gao, Hao","Sporormielones A-E, bioactive novel C-C coupled orsellinic acid derivative dimers, and their biosynthetic origin.","Chemical communications (Cambridge, England)","2020","56","33","4607","4610","10.1039/d0cc00855a","","x-ray","1.54184","CuKα","","0.0947","0.0769","","","0.2245","0.2333","","","","","","1.357","","","","has coordinates","251558","2020-10-21","18:00:00",""
"7126238","9.17259","0.00016","11.667","0.00014","12.81692","0.00017","90","","98.1439","0.0014","90","","1357.79","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","sporormielone B","","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","1","","Chen, Guo-Dong; Hu, Dan; Huang, Mei-Juan; Tang, Jia; Wang, Xiao-Xia; Zou, Jian; Xie, Jun; Zhang, Wei-Guang; Guo, Liang-Dong; Yao, Xin-Sheng; Abe, Ikuro; Gao, Hao","Sporormielones A-E, bioactive novel C-C coupled orsellinic acid derivative dimers, and their biosynthetic origin.","Chemical communications (Cambridge, England)","2020","56","33","4607","4610","10.1039/d0cc00855a","","x-ray","1.54184","CuKα","","0.0433","0.0411","","","0.1118","0.1139","","","","","","1.047","","","","has coordinates","251558","2020-10-21","18:00:00",""
"7126239","19.0415","0.0001","17.9747","0.0002","19.5602","0.0001","90","","91.7586","0.0006","90","","6691.62","0.09","150","","150","","","","101","","","","SYN","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H72 B F24 P2 Rh -","- C65 H72 B F24 P2 Rh -","- C260 H288 B4 F96 P8 Rh4 -","4","1","","Bukvic, Alexander J.; Crivoi, Dana Georgiana; Garwood, Hollie G.; McKay, Alasdair I.; Chen, Thomas T. D.; Martínez-Martínez, Antonio J; Weller, Andrew S.","Tolerant to air σ-alkane complexes by surface modification of single crystalline solid-state molecular organometallics using vapour-phase cationic polymerisation: SMOM@polymer.","Chemical communications (Cambridge, England)","2020","56","31","4328","4331","10.1039/d0cc01140a","","","1.5418","CuKα","","0.046","0.0415","","0.1106","0.1017","0.1102","","","","","","0.9","","","","has coordinates,has disorder","251578","2020-10-21","18:00:00",""
"7126240","12.8015","0.001","12.9012","0.0007","19.8814","0.0009","91.347","0.004","90.717","0.005","96.597","0.006","3260.5","0.3","150.1","0.2","150.1","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H66 B F24 P2 Rh -","- C61 H66 B F24 P2 Rh -","- C122 H132 B2 F48 P4 Rh2 -","2","1","","Bukvic, Alexander J.; Crivoi, Dana Georgiana; Garwood, Hollie G.; McKay, Alasdair I.; Chen, Thomas T. D.; Martínez-Martínez, Antonio J; Weller, Andrew S.","Tolerant to air σ-alkane complexes by surface modification of single crystalline solid-state molecular organometallics using vapour-phase cationic polymerisation: SMOM@polymer.","Chemical communications (Cambridge, England)","2020","56","31","4328","4331","10.1039/d0cc01140a","","x-ray","1.54178","CuKα","","0.1224","0.1003","","","0.2905","0.3209","","","","","","1.16","","","","has coordinates,has disorder","251578","2020-10-21","18:00:00",""
"7126241","12.877","0.0013","13.5514","0.0007","19.2488","0.0013","91.699","0.005","95.671","0.007","98.347","0.006","3303.8","0.4","150.01","0.1","150.01","","","","","","","","","7","P -1","-P 1","2","","","","- C62 H70 B F24 O P2 Rh -","- C62 H70 B F24 O P2 Rh -","- C124 H140 B2 F48 O2 P4 Rh2 -","2","1","","Bukvic, Alexander J.; Crivoi, Dana Georgiana; Garwood, Hollie G.; McKay, Alasdair I.; Chen, Thomas T. D.; Martínez-Martínez, Antonio J; Weller, Andrew S.","Tolerant to air σ-alkane complexes by surface modification of single crystalline solid-state molecular organometallics using vapour-phase cationic polymerisation: SMOM@polymer.","Chemical communications (Cambridge, England)","2020","56","31","4328","4331","10.1039/d0cc01140a","","","1.54184","CuKα","","0.1406","0.09","","","0.2537","0.2993","","","","","","1.03","","","","has coordinates,has disorder","251578","2020-10-21","18:00:00",""
"7126242","10.929","0.002","16.497","0.004","17.2819","0.001","90.747","0.01","90.198","0.011","92","0.02","3113.7","1","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C40 H104 B4 Na2 O2 Si8 Y2 -","- C40 H104 B4 Na2 O2 Si8 Y2 -","- C80 H208 B8 Na4 O4 Si16 Y4 -","2","1","","Durrant, James P.; Tang, Jinkui; Mansikkamäki, Akseli; Layfield, Richard A.","Enhanced single-molecule magnetism in dysprosium complexes of a pristine cyclobutadienyl ligand.","Chemical communications (Cambridge, England)","2020","56","34","4708","4711","10.1039/d0cc01722a","","x-ray","1.54184","CuKα","","0.1224","0.0731","","","0.1934","0.2219","","","","","","1.047","","","","has coordinates","251588","2020-10-21","18:00:00",""
"7126243","10.9592","0.0004","16.5329","0.0008","17.2892","0.0007","90.676","0.004","90.257","0.003","92.791","0.004","3128.6","0.2","99.9","0.3","99.9","0.3","","","","","","","","7","P -1","-P 1","2","","","","- C40 H104 B4 Dy2 Na2 O2 Si8 -","- C40 H104 B4 Dy2 Na2 O2 Si8 -","- C80 H208 B8 Dy4 Na4 O4 Si16 -","2","1","","Durrant, James P.; Tang, Jinkui; Mansikkamäki, Akseli; Layfield, Richard A.","Enhanced single-molecule magnetism in dysprosium complexes of a pristine cyclobutadienyl ligand.","Chemical communications (Cambridge, England)","2020","56","34","4708","4711","10.1039/d0cc01722a","","x-ray","1.54184","CuKα","","0.0848","0.0604","","","0.1444","0.1524","","","","","","0.933","","","","has coordinates","251588","2020-10-21","18:00:00",""
"7126244","10.846","0.0003","17.5547","0.0004","16.9092","0.0003","90","","91.916","0.002","90","","3217.68","0.13","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H52 B2 Dy K O Si4 -","- C20 H52 B2 Dy K O Si4 -","- C80 H208 B8 Dy4 K4 O4 Si16 -","4","1","","Durrant, James P.; Tang, Jinkui; Mansikkamäki, Akseli; Layfield, Richard A.","Enhanced single-molecule magnetism in dysprosium complexes of a pristine cyclobutadienyl ligand.","Chemical communications (Cambridge, England)","2020","56","34","4708","4711","10.1039/d0cc01722a","","x-ray","1.54184","CuKα","","0.0647","0.0458","","","0.1088","0.114","","","","","","0.902","","","","has coordinates","251588","2020-10-21","18:00:00",""
"7126245","10.7817","0.0004","17.5986","0.0005","16.9013","0.0006","90","","91.955","0.003","90","","3205.03","0.19","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H52 B2 K O Si4 Y -","- C20 H52 B2 K O Si4 Y -","- C80 H208 B8 K4 O4 Si16 Y4 -","4","1","","Durrant, James P.; Tang, Jinkui; Mansikkamäki, Akseli; Layfield, Richard A.","Enhanced single-molecule magnetism in dysprosium complexes of a pristine cyclobutadienyl ligand.","Chemical communications (Cambridge, England)","2020","56","34","4708","4711","10.1039/d0cc01722a","","x-ray","1.54184","CuKα","","0.0528","0.0341","","","0.0733","0.0765","","","","","","0.855","","","","has coordinates","251588","2020-10-21","18:00:00",""
"7126246","14.3032","0.0013","17.5925","0.0015","24.968","0.002","90","","90","","90","","6282.7","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H19 B F20 Ge O2 -","- C30 H19 B F20 Ge O2 -","- C240 H152 B8 F160 Ge8 O16 -","8","1","","Talavera, Maria; Meißner, Gisa; Rachor, Simon G.; Braun, Thomas","C-F activation reactions at germylium ions: dehydrofluorination of fluoralkanes.","Chemical communications (Cambridge, England)","2020","56","32","4452","4455","10.1039/d0cc01420f","","","0.71073","MoKα","","0.0312","0.0276","","","0.1051","0.1112","","","","","","1.017","","","","has coordinates","251549","2020-10-21","18:00:00",""
"7126247","7.7349","0.0014","9.6402","0.0017","9.3298","0.0016","90","","101.782","0.003","90","","681","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 N O4 S -","- C14 H13 N O4 S -","- C28 H26 N2 O8 S2 -","2","1","","Liu, Gongyi; Zhang, Xianghe; Wang, Heng; Cong, Hengjiang; Zhang, Xumu; Dong, Xiu-Qin","Synthesis of chiral α-substituted α-amino acid and amine derivatives through Ni-catalyzed asymmetric hydrogenation.","Chemical communications (Cambridge, England)","2020","56","36","4934","4937","10.1039/d0cc01220c","","","0.71073","MoKα","","0.0248","0.0241","","","0.0721","0.0729","","","","","","1.142","","","","has coordinates","252718","2020-10-21","18:00:00",""
"7126248","7.1576","0.0001","7.1576","0.0001","37.3509","0.0003","90","","90","","120","","1657.17","0.04","298.98","0.13","298.98","0.13","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C9 H11 N O5 S -","- C9 H11 N O5 S -","- C54 H66 N6 O30 S6 -","6","1","","Liu, Gongyi; Zhang, Xianghe; Wang, Heng; Cong, Hengjiang; Zhang, Xumu; Dong, Xiu-Qin","Synthesis of chiral α-substituted α-amino acid and amine derivatives through Ni-catalyzed asymmetric hydrogenation.","Chemical communications (Cambridge, England)","2020","56","36","4934","4937","10.1039/d0cc01220c","","x-ray","1.54184","CuKα","","0.0248","0.0244","","","0.0682","0.0685","","","","","","1.084","","","","has coordinates","252718","2020-10-21","18:00:00",""
"7126249","12.7979","0.0001","5.74316","0.00005","22.89076","0.00019","90","","92.3207","0.0007","90","","1681.1","0.02","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 N2 O5 -","- C22 H14 N2 O5 -","- C88 H56 N8 O20 -","4","1","","Aizawa, Takumi; Aratsu, Keisuke; Datta, Sougata; Mashimo, Takaki; Seki, Tomohiro; Kajitani, Takashi; Silly, Fabien; Yagai, Shiki","Hydrogen bond-directed supramolecular polymorphism leading to soft and hard molecular ordering.","Chemical communications (Cambridge, England)","2020","56","31","4280","4283","10.1039/d0cc01636e","","x-ray","1.54184","CuKα","","0.0461","0.0419","","","0.114","0.1169","","","","","","1.065","","","","has coordinates","251574","2020-10-21","18:00:00",""
"7126250","9.2755","0.0006","9.2755","0.0006","5.8368","0.0004","90","","90","","90","","502.17","0.06","173","2","173","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C4 H12 Cl2 Ga N -","- C4 H12 Cl2 Ga N -","- C8 H24 Cl4 Ga2 N2 -","2","0.25","","Wu, Qi; Liu, Xian; Du, Yeshuang; Teng, Chunlin; Liang, Fei","Nonlinear organic-inorganic halide hybrids containing unprecedented linear [MIX<sub>2</sub>]<sup>-</sup> coordination units and quasi-two-dimensional lone pairs.","Chemical communications (Cambridge, England)","2020","56","36","4894","4897","10.1039/d0cc01532f","","","0.71073","MoKα","","0.0781","0.0744","","","0.2099","0.2133","","","","","","1.106","","","","has coordinates","252716","2020-10-21","18:00:00",""
"7126251","9.2807","0.0001","9.2807","0.0001","5.8414","0.0002","90","","90","","90","","503.128","0.019","173","2","173","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C4 H12 Cl2 In N -","- C4 H12 Cl2 In N -","- C8 H24 Cl4 In2 N2 -","2","0.25","","Wu, Qi; Liu, Xian; Du, Yeshuang; Teng, Chunlin; Liang, Fei","Nonlinear organic-inorganic halide hybrids containing unprecedented linear [MIX<sub>2</sub>]<sup>-</sup> coordination units and quasi-two-dimensional lone pairs.","Chemical communications (Cambridge, England)","2020","56","36","4894","4897","10.1039/d0cc01532f","","","0.71073","MoKα","","0.0152","0.0152","","","0.0416","0.0416","","","","","","1.145","","","","has coordinates","252716","2020-10-21","18:00:00",""
"7126252","9.0173","0.0007","9.8035","0.001","14.1588","0.0013","90","","95.552","0.003","90","","1245.8","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl N O S -","- C14 H10 Cl N O S -","- C56 H40 Cl4 N4 O4 S4 -","4","1","","Pradhan, Suman; Patel, Sandeep; Chatterjee, Indranil","Nitrosoarene-catalyzed regioselective aromatic C-H sulfinylation with thiols under aerobic conditions.","Chemical communications (Cambridge, England)","2020","56","37","5054","5057","10.1039/d0cc01188f","","","0.71073","MoKα","","0.0732","0.0504","","","0.1153","0.1273","","","","","","1.069","","","","has coordinates","252687","2020-10-21","18:00:00",""
"7126253","14.275","0.002","7.6981","0.001","11.6398","0.0017","90","","101.25","0.005","90","","1254.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O S -","- C14 H15 N O S -","- C56 H60 N4 O4 S4 -","4","1","","Pradhan, Suman; Patel, Sandeep; Chatterjee, Indranil","Nitrosoarene-catalyzed regioselective aromatic C-H sulfinylation with thiols under aerobic conditions.","Chemical communications (Cambridge, England)","2020","56","37","5054","5057","10.1039/d0cc01188f","","","0.71073","MoKα","","0.1045","0.0692","","","0.1939","0.226","","","","","","1.048","","","","has coordinates","252687","2020-10-21","18:00:00",""
"7126254","20.7855","0.0005","20.7855","0.0005","35.3744","0.001","90","","90","","90","","15283.1","0.7","100","","100","","","","","","","","","4","P 42 21 2","P 4n 2n","94","","Tetrakis(bis(1,2,3,4-tetra(isopropyl)cyclopentadienyl)-azido-uranium(iii)) n-pentane solvate","","- C141 H244 N12 U4 -","- C141 H244 N12 U4 -","- C564 H976 N48 U16 -","4","0.5","","Boreen, Michael A.; Rao, Guodong; Villarreal, David G.; Watt, Fabian A.; Britt, R. David; Hohloch, Stephan; Arnold, John","Lewis acid capping of a uranium(v) nitride via a uranium(iii) azide molecular square.","Chemical communications (Cambridge, England)","2020","56","33","4535","4538","10.1039/d0cc01356k","","","0.71073","MoKα","","0.0501","0.0356","","","0.067","0.0712","","","","","","1.03","","","","has coordinates,has disorder","251559","2020-10-21","18:00:00",""
"7126255","12.5562","0.0005","13.4735","0.0006","18.1929","0.0008","100.421","0.002","97.392","0.002","116.686","0.002","2626.3","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","Bis(1,2,3,4-tetrakis(isopropyl)cyclopentadienyl)-(tris(pentafluorophenyl)borylnitrido)-uranium(v) toluene sovlate","","- C55.5 H62 B F15 N U -","- C55.5 H62 B F15 N U -","- C111 H124 B2 F30 N2 U2 -","2","1","","Boreen, Michael A.; Rao, Guodong; Villarreal, David G.; Watt, Fabian A.; Britt, R. David; Hohloch, Stephan; Arnold, John","Lewis acid capping of a uranium(v) nitride via a uranium(iii) azide molecular square.","Chemical communications (Cambridge, England)","2020","56","33","4535","4538","10.1039/d0cc01356k","","","0.7288","synchrotron","","0.0244","0.0218","","","0.0477","0.0488","","","","","","1.068","","","","has coordinates,has disorder","251559","2020-10-21","18:00:00",""
"7126256","11.1153","0.0004","11.7453","0.0004","12.4529","0.0004","70.938","0.001","81.452","0.001","72.255","0.001","1461.32","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","Bis((tris(pentafluorophenyl)borylazido)-bis(diethyl-ether)-sodium)","","- C52 H40 B2 F30 N6 Na2 O4 -","- C52 H40 B2 F30 N6 Na2 O4 -","- C52 H40 B2 F30 N6 Na2 O4 -","1","0.5","","Boreen, Michael A.; Rao, Guodong; Villarreal, David G.; Watt, Fabian A.; Britt, R. David; Hohloch, Stephan; Arnold, John","Lewis acid capping of a uranium(v) nitride via a uranium(iii) azide molecular square.","Chemical communications (Cambridge, England)","2020","56","33","4535","4538","10.1039/d0cc01356k","","","0.7288","synchrotron","","0.0355","0.0331","","","0.0855","0.0877","","","","","","1.048","","","","has coordinates,has disorder","251559","2020-10-21","18:00:00",""
"7126257","8.9154","0.0012","9.9908","0.0011","14.3287","0.0018","98.926","0.01","91.79","0.011","92.209","0.01","1259","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H61 N5 O8 -","- C60 H61 N5 O8 -","- C60 H61 N5 O8 -","1","0.5","","Ren, Demin; Koniarz, Sebastian; Li, Xiaofang; Chmielewski, Piotr J.","First imidazole-fused carbaporphyrinoid and its conversion to a N-heterocyclic carbene precursor.","Chemical communications (Cambridge, England)","2020","56","35","4836","4839","10.1039/d0cc01013h","","","1.54184","CuKα","","0.1271","0.0985","","","0.2519","0.2931","","","","","","0.999","","","","has coordinates,has disorder","251584","2020-10-21","18:00:00",""
"7126258","9.9193","0.0005","13.7034","0.0008","15.7321","0.0008","75.013","0.005","84.724","0.004","78.55","0.004","2022.72","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48.5 H33 Ag Au Cl4 N5 -","- C48.5 H33 Ag Au Cl4 N5 -","- C97 H66 Ag2 Au2 Cl8 N10 -","2","1","","Ren, Demin; Koniarz, Sebastian; Li, Xiaofang; Chmielewski, Piotr J.","First imidazole-fused carbaporphyrinoid and its conversion to a N-heterocyclic carbene precursor.","Chemical communications (Cambridge, England)","2020","56","35","4836","4839","10.1039/d0cc01013h","","","1.54184","CuKα","","0.0574","0.0449","","","0.1083","0.118","","","","","","1.017","","","","has coordinates,has disorder","251584","2020-10-21","18:00:00",""
"7126259","13.3872","0.0015","13.4166","0.0016","15.684","0.0018","81.472","0.006","68.974","0.005","85.355","0.006","2599.2","0.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H11 Cr F9 N3 O9 S3 -","- C18 H11 Cr F9 N3 O9 S3 -","- C72 H44 Cr4 F36 N12 O36 S12 -","4","2","","Ma, Xiaozhou; Suturina, Elizaveta A.; Rouzières, Mathieu; Wilhelm, Fabrice; Rogalev, Andrei; Clérac, Rodolphe; Dechambenoit, Pierre","A heteroleptic diradical Cr(iii) complex with extended spin delocalization and large intramolecular magnetic exchange.","Chemical communications (Cambridge, England)","2020","56","36","4906","4909","10.1039/d0cc00548g","","","0.71073","MoKα","","0.0917","0.0455","","","0.1025","0.1188","","","","","","1.02","","","","has coordinates","252715","2020-10-21","18:00:00",""
"7126260","9.863","0.003","12.837","0.003","16.567","0.006","98.505","0.013","100.19","0.012","98.845","0.012","2006.6","1.1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H26 Cr F6 N10 O6 S2 -","- C43 H26 Cr F6 N10 O6 S2 -","- C86 H52 Cr2 F12 N20 O12 S4 -","2","1","","Ma, Xiaozhou; Suturina, Elizaveta A.; Rouzières, Mathieu; Wilhelm, Fabrice; Rogalev, Andrei; Clérac, Rodolphe; Dechambenoit, Pierre","A heteroleptic diradical Cr(iii) complex with extended spin delocalization and large intramolecular magnetic exchange.","Chemical communications (Cambridge, England)","2020","56","36","4906","4909","10.1039/d0cc00548g","","","0.71073","MoKα","","0.165","0.0736","","","0.161","0.1997","","","","","","1.029","","","","has coordinates","252715","2020-10-21","18:00:00",""
"7126261","10.8374","0.0005","13.4385","0.0006","15.1456","0.0008","81.115","0.002","87.233","0.002","76.72","0.002","2120.85","0.18","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H75 Cr2 F6 N21 O8 S2 -","- C94 H72 Cr2 F6 N21 O8 S2 -","- C94 H72 Cr2 F6 N21 O8 S2 -","1","0.5","","Ma, Xiaozhou; Suturina, Elizaveta A.; Rouzières, Mathieu; Wilhelm, Fabrice; Rogalev, Andrei; Clérac, Rodolphe; Dechambenoit, Pierre","A heteroleptic diradical Cr(iii) complex with extended spin delocalization and large intramolecular magnetic exchange.","Chemical communications (Cambridge, England)","2020","56","36","4906","4909","10.1039/d0cc00548g","","","0.71073","MoKα","","0.0363","0.0334","","","0.095","0.0969","","","","","","1.109","","","","has coordinates,has disorder","252715","2020-10-21","18:00:00",""
"7126262","10.6856","0.0011","13.1212","0.0012","18.0622","0.0018","72.344","0.004","83.075","0.004","86.981","0.004","2395.2","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H33 Cr F9 N9 O10 S3 -","- C46 H33 Cr F9 N9 O10 S3 -","- C92 H66 Cr2 F18 N18 O20 S6 -","2","1","","Ma, Xiaozhou; Suturina, Elizaveta A.; Rouzières, Mathieu; Wilhelm, Fabrice; Rogalev, Andrei; Clérac, Rodolphe; Dechambenoit, Pierre","A heteroleptic diradical Cr(iii) complex with extended spin delocalization and large intramolecular magnetic exchange.","Chemical communications (Cambridge, England)","2020","56","36","4906","4909","10.1039/d0cc00548g","","","0.71073","MoKα","","0.1309","0.1036","","","0.2912","0.3183","","","","","","1.059","","","","has coordinates","252715","2020-10-21","18:00:00",""
"7126263","17.0878","0.0007","10.7963","0.0004","21.0437","0.0009","90","","109.074","0.002","90","","3669.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 O4 S -","- C42 H50 O4 S -","- C168 H200 O16 S4 -","4","1","","Ghotekar, Ganesh S.; Shirsath, Sachin R.; Shaikh, Aslam C.; Muthukrishnan, M.","1,6-Conjugate addition initiated formal [4+2] annulation of p-quinone methides with sulfonyl allenols: a unique access to spiro[5.5]undeca-1,4-dien-3-one scaffolds.","Chemical communications (Cambridge, England)","2020","56","37","5022","5025","10.1039/d0cc01005g","","","0.71073","MoKα","","0.053","0.0391","","","0.0968","0.1089","","","","","","1.069","","","","has coordinates","252688","2020-10-21","18:00:00",""
"7126264","11.5515","0.0001","15.2491","0.0002","15.9658","0.0002","90","","91.512","0.001","90","","2811.4","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H31 F N2 O4 S2 -","- C32 H31 F N2 O4 S2 -","- C128 H124 F4 N8 O16 S8 -","4","1","","Wang, Hao-Ran; Huang, En-He; Luo, Chen; Luo, Wen-Feng; Xu, Yin; Qian, Peng-Cheng; Zhou, Jin-Mei; Ye, Long-Wu","Copper-catalyzed tandem cis-carbometallation/cyclization of imine-ynamides with arylboronic acids.","Chemical communications (Cambridge, England)","2020","56","35","4832","4835","10.1039/d0cc01424a","","x-ray","1.54184","CuKα","","0.0367","0.0345","","","0.0916","0.0933","","","","","","1.038","","","","has coordinates","251586","2020-10-21","18:00:00",""
"7126265","12.7799","0.0001","10.1536","0.0001","18.2019","0.0002","90","","108.934","0.001","90","","2234.12","0.04","100","0.4","100","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 N O3 S -","- C28 H23 N O3 S -","- C112 H92 N4 O12 S4 -","4","1","","Wang, Hao-Ran; Huang, En-He; Luo, Chen; Luo, Wen-Feng; Xu, Yin; Qian, Peng-Cheng; Zhou, Jin-Mei; Ye, Long-Wu","Copper-catalyzed tandem cis-carbometallation/cyclization of imine-ynamides with arylboronic acids.","Chemical communications (Cambridge, England)","2020","56","35","4832","4835","10.1039/d0cc01424a","","x-ray","1.54184","CuKα","","0.0447","0.0378","","","0.0994","0.1112","","","","","","1.104","","","","has coordinates","251586","2020-10-21","18:00:00",""
"7126266","28.1272","0.0004","9.04947","0.00013","14.7304","0.0002","90","","90","","90","","3749.42","0.09","110.05","0.1","110.05","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H16 F6 N2 O2 -","- C22 H16 F6 N2 O2 -","- C176 H128 F48 N16 O16 -","8","1","","Lamb, Katie J.; Dowsett, Mark R.; North, Michael; Parker, Rachel R.; Whitwood, Adrian C.","Unprecedented reductive cyclisation of salophen ligands to tetrahydroquinoxalines during metal complex formation.","Chemical communications (Cambridge, England)","2020","56","35","4844","4847","10.1039/d0cc01192d","","x-ray","1.54184","CuKα","","0.0389","0.0343","","","0.0907","0.0942","","","","","","1.03","","","","has coordinates","251582","2020-10-21","18:00:00",""
"7126267","7.16584","0.00013","10.4417","0.0002","21.8016","0.0004","90","","96.8756","0.0017","90","","1619.54","0.05","110","0.14","110","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Lamb, Katie J.; Dowsett, Mark R.; North, Michael; Parker, Rachel R.; Whitwood, Adrian C.","Unprecedented reductive cyclisation of salophen ligands to tetrahydroquinoxalines during metal complex formation.","Chemical communications (Cambridge, England)","2020","56","35","4844","4847","10.1039/d0cc01192d","","x-ray","1.54184","CuKα","","0.0381","0.0322","","","0.0752","0.0789","","","","","","1.04","","","","has coordinates","251582","2020-10-21","18:00:00",""
"7126268","17.8343","0.0006","12.4405","0.0004","13.0921","0.0005","90","","107.301","0.004","90","","2773.29","0.18","110.05","0.1","110.05","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H12.67 N0.67 O1.33 -","- C10 H12.6667 N0.666667 O1.33333 -","- C120 H152 N8 O16 -","12","1.5","","Lamb, Katie J.; Dowsett, Mark R.; North, Michael; Parker, Rachel R.; Whitwood, Adrian C.","Unprecedented reductive cyclisation of salophen ligands to tetrahydroquinoxalines during metal complex formation.","Chemical communications (Cambridge, England)","2020","56","35","4844","4847","10.1039/d0cc01192d","","x-ray","1.54184","CuKα","","0.0414","0.0367","","","0.0966","0.1008","","","","","","1.062","","","","has coordinates","251582","2020-10-21","18:00:00",""
"7126269","7.3701","0.0005","10.2836","0.0007","12.5573","0.0007","97.383","0.005","104.649","0.006","99.61","0.006","893.22","0.11","110","0.1","110","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C44 H44 N4 O8 -","2","1","","Lamb, Katie J.; Dowsett, Mark R.; North, Michael; Parker, Rachel R.; Whitwood, Adrian C.","Unprecedented reductive cyclisation of salophen ligands to tetrahydroquinoxalines during metal complex formation.","Chemical communications (Cambridge, England)","2020","56","35","4844","4847","10.1039/d0cc01192d","","x-ray","1.54184","CuKα","","0.0393","0.0329","","","0.0829","0.0875","","","","","","1.032","","","","has coordinates","251582","2020-10-21","18:00:00",""
"7126270","16.29085","0.00017","20.8151","0.0002","23.2057","0.0003","90","","105.286","0.0012","90","","7590.55","0.15","110","0.1","110","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 N2 O2 -","- C28 H34 N2 O2 -","- C336 H408 N24 O24 -","12","3","","Lamb, Katie J.; Dowsett, Mark R.; North, Michael; Parker, Rachel R.; Whitwood, Adrian C.","Unprecedented reductive cyclisation of salophen ligands to tetrahydroquinoxalines during metal complex formation.","Chemical communications (Cambridge, England)","2020","56","35","4844","4847","10.1039/d0cc01192d","","x-ray","1.54184","CuKα","","0.0646","0.0504","","","0.129","0.1379","","","","","","1.047","","","","has coordinates","251582","2020-10-21","18:00:00",""
"7126271","15.552","0.003","15.578","0.003","45.215","0.01","90","","90.58","0.004","90","","10954","4","193","2","193","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","[(TpAd,iPr)Ca(p-CH2C6H4CH3)(THF)]","","","- C120 H174 B2 Ca2 N12 O2 -","- C120 H174 B2 Ca2 N12 O2 -","- C480 H696 B8 Ca8 N48 O8 -","4","1","","Shi, Xianghui; Hou, Cuiping; Zhao, Lanxiao; Deng, Peng; Cheng, Jianhua","Mononuclear calcium complex as effective catalyst for alkenes hydrogenation.","Chemical communications (Cambridge, England)","2020","56","38","5162","5165","10.1039/d0cc01745k","","","0.71073","MoKα","","0.2307","0.0911","","","0.1914","0.2495","","","","","","0.982","","","","has coordinates,has disorder","252721","2020-10-21","18:00:00",""
"7126272","11.9771","0.0008","14.8686","0.001","16.6034","0.0011","99.757","0.001","99.777","0.001","104.406","0.001","2751.9","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","[(TpAd,iPr)Ca(PhCH2CHPh)]","","","- C62 H83 B Ca N6 -","- C62 H83 B Ca N6 -","- C124 H166 B2 Ca2 N12 -","2","1","","Shi, Xianghui; Hou, Cuiping; Zhao, Lanxiao; Deng, Peng; Cheng, Jianhua","Mononuclear calcium complex as effective catalyst for alkenes hydrogenation.","Chemical communications (Cambridge, England)","2020","56","38","5162","5165","10.1039/d0cc01745k","","","0.71073","MoKα","","0.085","0.0558","","","0.116","0.1316","","","","","","1.008","","","","has coordinates","252721","2020-10-21","18:00:00",""
"7126273","11.7488","0.0013","15.0579","0.0015","15.7679","0.0017","96.695","0.002","94.947","0.002","101.734","0.003","2695.2","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","[(TpAd,iPr)Ca(Ph2CCH3)]","","","- C62 H83 B Ca N6 -","- C62 H83 B Ca N6 -","- C124 H166 B2 Ca2 N12 -","2","1","","Shi, Xianghui; Hou, Cuiping; Zhao, Lanxiao; Deng, Peng; Cheng, Jianhua","Mononuclear calcium complex as effective catalyst for alkenes hydrogenation.","Chemical communications (Cambridge, England)","2020","56","38","5162","5165","10.1039/d0cc01745k","","","0.71073","MoKα","","0.1296","0.0675","","","0.1195","0.1489","","","","","","0.983","","","","has coordinates","252721","2020-10-21","18:00:00",""
"7126274","14.5913","0.0016","14.6823","0.0016","15.1498","0.0016","61.123","0.002","82.567","0.002","88.425","0.002","2815.9","0.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","[(TpAd,iPr)Ca(CH2CH2CH2CH2C6H5)(THP)]","","- C63 H93 B Ca N6 O -","- C63 H93 B Ca N6 O -","- C126 H186 B2 Ca2 N12 O2 -","2","1","","Shi, Xianghui; Hou, Cuiping; Zhao, Lanxiao; Deng, Peng; Cheng, Jianhua","Mononuclear calcium complex as effective catalyst for alkenes hydrogenation.","Chemical communications (Cambridge, England)","2020","56","38","5162","5165","10.1039/d0cc01745k","","","0.71073","MoKα","","0.0752","0.0504","","","0.1155","0.1288","","","","","","1.021","","","","has coordinates,has disorder","252721","2020-10-21","18:00:00",""
"7126275","24.4932","0.0011","13.5736","0.0005","18.0604","0.0008","90","","97.554","0.004","90","","5952.3","0.4","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H50 Cd N4 O8 -","- C74 H50 Cd N4 O8 -","- C296 H200 Cd4 N16 O32 -","4","0.5","","Yang, Yongsheng; Fang, Xiaoyu; Zhao, Si-Si; Bai, Fengyang; Zhao, Zhen; Wang, Ke-Zhi; Yan, Dongpeng","One-dimensional co-crystallized coordination polymers showing reversible mechanochromic luminescence: cation-anion interaction directed rapid self-recovery.","Chemical communications (Cambridge, England)","2020","56","39","5267","5270","10.1039/c9cc09806b","","","0.71073","MoKα","","0.0547","0.0406","","","0.1149","0.1383","","","","","","0.85","","","","has coordinates","252711","2020-10-21","18:00:00",""
"7126276","7.5033","0.0003","16.7674","0.0007","19.8262","0.0009","90","","90","","90","","2494.35","0.18","293","2","293","2","","","","","","","","4","P n c a","-P 2a 2n","60","","","","- C30 H22 Cd O6 -","- C30 H22 Cd O6 -","- C120 H88 Cd4 O24 -","4","0.5","","Yang, Yongsheng; Fang, Xiaoyu; Zhao, Si-Si; Bai, Fengyang; Zhao, Zhen; Wang, Ke-Zhi; Yan, Dongpeng","One-dimensional co-crystallized coordination polymers showing reversible mechanochromic luminescence: cation-anion interaction directed rapid self-recovery.","Chemical communications (Cambridge, England)","2020","56","39","5267","5270","10.1039/c9cc09806b","","","0.71073","MoKα","","0.098","0.0856","","","0.1843","0.1898","","","","","","1.196","","","","has coordinates,has disorder","252711","2020-10-21","18:00:00",""
"7126277","9.2048","0.0004","15.0598","0.0006","16.5389","0.0007","116.533","0.004","90.512","0.004","99.24","0.003","2016.11","0.17","159.99","0.1","159.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H43 N2 O12 S2 -","- C44 H43 N2 O12 S2 -","- C88 H86 N4 O24 S4 -","2","1","","Tian, Tian; Qian, Tingjuan; Jiang, Tingting; Deng, Yakui; Li, Xiaopei; Yuan, Wei; Chen, Yulan; Wang, Yi-Xuan; Hu, Wenping","A donor-acceptor type macrocycle: toward photolyzable self-assembly.","Chemical communications (Cambridge, England)","2020","56","28","3939","3942","10.1039/d0cc01350a","","x-ray","0.71073","MoKα","","0.1406","0.0629","","","0.1406","0.1671","","","","","","0.997","","","","has coordinates,has disorder","251545","2020-10-21","18:00:00",""
"7126278","11.2862","0.0015","20.4254","0.0012","21.7177","0.0012","90","","124.766","0.002","90","","4112.8","0.6","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 Cl2 Co F6 N12 O2 P -","- C31 H32 Cl2 Co F6 N12 O2 P -","- C124 H128 Cl8 Co4 F24 N48 O8 P4 -","4","1","","Fleming, Connor; Chung, Dorothy; Ponce, Servando; Brook, David J. R.; DaRos, Jeffrey; Das, Raja; Ozarowski, Andrew; Stoian, Sebastian A.","Valence tautomerism in a cobalt-verdazyl coordination compound.","Chemical communications (Cambridge, England)","2020","56","32","4400","4403","10.1039/d0cc01770a","","","0.7749","synchrotron","","0.0605","0.0528","","","0.1625","0.1722","","","","","","1.059","","","","has coordinates,has disorder","251551","2020-10-21","18:00:00",""
"7126279","15.7805","0.0004","15.7805","0.0004","15.4465","0.0014","90","","90","","90","","3846.6","0.4","150","","150","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C30 H30 Co F12 N12 O2 P2 -","- C30 H30 Co F12 N12 O2 P2 -","- C120 H120 Co4 F48 N48 O8 P8 -","4","0.5","","Fleming, Connor; Chung, Dorothy; Ponce, Servando; Brook, David J. R.; DaRos, Jeffrey; Das, Raja; Ozarowski, Andrew; Stoian, Sebastian A.","Valence tautomerism in a cobalt-verdazyl coordination compound.","Chemical communications (Cambridge, England)","2020","56","32","4400","4403","10.1039/d0cc01770a","","","1.0333","synchrotron","","0.0504","0.0464","","","0.1285","0.1324","","","","","","1.051","","","","has coordinates,has disorder","251551","2020-10-21","18:00:00",""
"7126280","31.0593","0.0013","5.1776","0.0002","21.8198","0.0009","90","","130.591","0.002","90","","2664.6","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H37 Ca N2 O17 P4 -","- C12 H37 Ca N2 O17 P4 -","- C48 H148 Ca4 N8 O68 P16 -","4","0.5","","Vassaki, Maria; Papathanasiou, Konstantinos E.; Hadjicharalambous, Chrystalleni; Chandrinou, Daphne; Turhanen, Petri; Choquesillo-Lazarte, Duane; Demadis, Konstantinos D.","Self-sacrificial MOFs for ultra-long controlled release of bisphosphonate anti-osteoporotic drugs.","Chemical communications (Cambridge, England)","2020","56","38","5166","5169","10.1039/d0cc00439a","","","0.71073","MoKα","","0.0423","0.0316","","","0.0795","0.0846","","","","","","1.09","","","","has coordinates,has disorder","252723","2020-10-21","18:00:00",""
"7126281","14.681","0.0006","13.1202","0.0006","13.8859","0.0007","90","","101.214","0.002","90","","2623.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H40 Mg N2 O18 P4 -","- C12 H40 Mg N2 O18 P4 -","- C48 H160 Mg4 N8 O72 P16 -","4","1","","Vassaki, Maria; Papathanasiou, Konstantinos E.; Hadjicharalambous, Chrystalleni; Chandrinou, Daphne; Turhanen, Petri; Choquesillo-Lazarte, Duane; Demadis, Konstantinos D.","Self-sacrificial MOFs for ultra-long controlled release of bisphosphonate anti-osteoporotic drugs.","Chemical communications (Cambridge, England)","2020","56","38","5166","5169","10.1039/d0cc00439a","","","0.71073","MoKα","","0.0521","0.0387","","","0.0911","0.0976","","","","","","1.075","","","","has coordinates","252723","2020-10-21","18:00:00",""
"7126282","12.5897","0.0004","13.5306","0.0004","12.4892","0.0004","90","","109.919","0.001","90","","2000.21","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H28 Mg N2 O16 P4 -","- C8 H28 Mg N2 O16 P4 -","- C32 H112 Mg4 N8 O64 P16 -","4","1","","Vassaki, Maria; Papathanasiou, Konstantinos E.; Hadjicharalambous, Chrystalleni; Chandrinou, Daphne; Turhanen, Petri; Choquesillo-Lazarte, Duane; Demadis, Konstantinos D.","Self-sacrificial MOFs for ultra-long controlled release of bisphosphonate anti-osteoporotic drugs.","Chemical communications (Cambridge, England)","2020","56","38","5166","5169","10.1039/d0cc00439a","","","1.54178","CuKα","","0.0438","0.0435","","","0.1123","0.1125","","","","","","1.123","","","","has coordinates,has disorder","252723","2020-10-21","18:00:00",""
"7126283","14.7806","0.0017","19.611","0.002","32.18","0.004","90","","100.277","0.002","90","","9178.1","1.8","99.98","","99.98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C106 H62 F20 N8 O6 Sb2 -","- C106 H62 F20 N8 O6 Sb2 -","- C424 H248 F80 N32 O24 Sb8 -","4","1","","Lemon, Christopher M.; Maher, Andrew G.; Mazzotti, Anthony R.; Powers, David C.; Gonzalez, Miguel I.; Nocera, Daniel G.","Multielectron C-H photoactivation with an Sb(v) oxo corrole.","Chemical communications (Cambridge, England)","2020","56","39","5247","5250","10.1039/c9cc09892e","","","0.71073","MoKα","","0.1223","0.0818","","","0.2031","0.2333","","","","","","1.023","","","","has coordinates,has disorder","252710","2020-10-21","18:00:00",""
"7126284","22.483","0.012","12.582","0.007","24.213","0.013","90","","93.89","0.006","90","","6834","6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Al1.33 Cl4 N2 O2 -","- C16 H22 Al1.33333 Cl4 N2 O2 -","- C192 H264 Al16 Cl48 N24 O24 -","12","1.5","","Kore, Rajkumar; Kelley, Steven P.; Sawant, Anand D.; Mishra, Manish Kumar; Rogers, Robin D.","Are ionic liquids and liquid coordination complexes really different? - Synthesis, characterization, and catalytic activity of AlCl<sub>3</sub>/base catalysts.","Chemical communications (Cambridge, England)","2020","56","40","5362","5365","10.1039/d0cc01452d","","","0.71073","MoKα","","0.2579","0.1232","","","0.3377","0.395","","","","","","1.077","","","","has coordinates","252714","2020-10-21","18:00:00",""
"7126285","8.4788","0.0002","11.2242","0.0003","9.6038","0.0003","90","","91.3763","0.0015","90","","913.71","0.04","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Al Cl3 N2 -","- C4 H6 Al Cl3 N2 -","- C16 H24 Al4 Cl12 N8 -","4","1","","Kore, Rajkumar; Kelley, Steven P.; Sawant, Anand D.; Mishra, Manish Kumar; Rogers, Robin D.","Are ionic liquids and liquid coordination complexes really different? - Synthesis, characterization, and catalytic activity of AlCl<sub>3</sub>/base catalysts.","Chemical communications (Cambridge, England)","2020","56","40","5362","5365","10.1039/d0cc01452d","","","0.71073","MoKα","","0.0461","0.0334","","","0.0829","0.0899","","","","","","1.046","","","","has coordinates","298703","2025-04-03","05:34:20",""
"7126286","5.4468","0.0003","9.8135","0.0006","15.2598","0.001","103.033","0.002","93.291","0.002","97.938","0.003","783.72","0.08","116","2","116.63","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C36 H38 N2 O6 S2 -","2","1","","Chakraborty, Poulami; Das, Bikash; Pal, Pulak; Datta, Subhadeep; Bera, Sourabh; Dastidar, Parthasarathi","A supramolecular hydrogel derived from a simple organic salt capable of proton conduction.","Chemical communications (Cambridge, England)","2020","56","39","5251","5254","10.1039/d0cc01467b","","","0.71073","MoKα","","0.1062","0.0682","","","0.1594","0.18","","","","","","1.06","","","","has coordinates","252709","2020-10-21","18:00:00",""
"7126287","31.768","0.008","5.5762","0.0012","15.75","0.003","90","","108.619","0.003","90","","2644","1","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 N O3.5 S -","- C12.999 H15.999 N O3.4997 S -","- C103.992 H127.992 N8 O27.9976 S8 -","8","1","","Chakraborty, Poulami; Das, Bikash; Pal, Pulak; Datta, Subhadeep; Bera, Sourabh; Dastidar, Parthasarathi","A supramolecular hydrogel derived from a simple organic salt capable of proton conduction.","Chemical communications (Cambridge, England)","2020","56","39","5251","5254","10.1039/d0cc01467b","","","0.71073","MoKα","","0.1169","0.0487","","","0.1249","0.1761","","","","","","1.089","","","","has coordinates,has disorder","252709","2020-10-21","18:00:00",""
"7126288","16.352","0.019","10.823","0.012","9.736","0.011","90","","105.376","0.013","90","","1661","3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C68 H68 N4 O12 S4 -","4","1","","Chakraborty, Poulami; Das, Bikash; Pal, Pulak; Datta, Subhadeep; Bera, Sourabh; Dastidar, Parthasarathi","A supramolecular hydrogel derived from a simple organic salt capable of proton conduction.","Chemical communications (Cambridge, England)","2020","56","39","5251","5254","10.1039/d0cc01467b","","","0.71073","MoKα","","0.0658","0.0399","","","0.1194","0.1423","","","","","","1.053","","","","has coordinates","252709","2020-10-21","18:00:00",""
"7126289","18.261","0.015","7.799","0.006","12.919","0.011","90","","107.2","0.011","90","","1758","2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O3 S -","- C21 H19 N O3 S -","- C84 H76 N4 O12 S4 -","4","1","","Chakraborty, Poulami; Das, Bikash; Pal, Pulak; Datta, Subhadeep; Bera, Sourabh; Dastidar, Parthasarathi","A supramolecular hydrogel derived from a simple organic salt capable of proton conduction.","Chemical communications (Cambridge, England)","2020","56","39","5251","5254","10.1039/d0cc01467b","","","0.71073","MoKα","","0.0731","0.0443","","","0.1106","0.1357","","","","","","1.096","","","","has coordinates","252709","2020-10-21","18:00:00",""
"7126290","5.432","0.008","9.545","0.014","15.32","0.02","96.31","0.02","93.878","0.019","97.64","0.019","779.8","1.9","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C34 H34 N2 O6 S2 -","2","1","","Chakraborty, Poulami; Das, Bikash; Pal, Pulak; Datta, Subhadeep; Bera, Sourabh; Dastidar, Parthasarathi","A supramolecular hydrogel derived from a simple organic salt capable of proton conduction.","Chemical communications (Cambridge, England)","2020","56","39","5251","5254","10.1039/d0cc01467b","","","0.71073","MoKα","","0.0688","0.0413","","","0.0932","0.1085","","","","","","1.056","","","","has coordinates","252709","2020-10-21","18:00:00",""
"7126291","5.8765","0.0017","7.649","0.002","18.388","0.005","92.938","0.004","94.963","0.004","93.182","0.004","820.9","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C36 H38 N2 O6 S2 -","2","1","","Chakraborty, Poulami; Das, Bikash; Pal, Pulak; Datta, Subhadeep; Bera, Sourabh; Dastidar, Parthasarathi","A supramolecular hydrogel derived from a simple organic salt capable of proton conduction.","Chemical communications (Cambridge, England)","2020","56","39","5251","5254","10.1039/d0cc01467b","","","0.71073","MoKα","","0.0643","0.0446","","","0.1197","0.1406","","","","","","1.11","","","","has coordinates","252709","2020-10-21","18:00:00",""
"7126292","15.3077","0.0003","17.0493","0.0003","35.2582","0.0008","90","","90","","90","","9201.9","0.3","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C112 H98 B F4 Ir2 O4 P4 -","- C112 H98 B F4 Ir2 O4 P4 -","- C448 H392 B4 F16 Ir8 O16 P16 -","4","1","","Sofue, Yuki; Nomura, Kotohiro; Inagaki, Akiko","On-demand hydrogen production from formic acid by light-active dinuclear iridium catalysts.","Chemical communications (Cambridge, England)","2020","56","33","4519","4522","10.1039/d0cc00704h","","","0.71073","MoKα","","0.0726","0.0689","","","0.1663","0.1687","","","","","","1.009","","","","has coordinates","251563","2020-10-21","18:00:00",""
"7126293","9.8433","0.0001","8.532","0.0001","14.8241","0.0002","90","","90","","90","","1244.97","0.03","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","1","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54178","CuKα","","0.0376","0.0373","","","0.0974","0.0976","","","","","","1.07","","","","has coordinates","252690","2020-10-21","18:00:00",""
"7126294","10.2018","0.0003","8.5037","0.0002","14.948","0.0004","90","","90","","90","","1296.78","0.06","279.99","0.1","279.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","1","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54178","CuKα","","0.0536","0.0516","","","0.1343","0.138","","","","","","1.081","","","","has coordinates","252690","2020-10-21","18:00:00",""
"7126295","9.9126","0.0001","8.5286","0.0001","14.8615","0.0002","90","","90","","90","","1256.4","0.03","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","1","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54178","CuKα","","0.0375","0.0373","","","0.0975","0.0978","","","","","","1.048","","","","has coordinates","252690","2020-10-21","18:00:00",""
"7126296","10.0838","0.0001","8.515","0.0001","14.9235","0.0002","90","","90","","90","","1281.38","0.03","240","0.1","240","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","1","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54178","CuKα","","0.0425","0.0415","","","0.108","0.1095","","","","","","1.052","","","","has coordinates","252690","2020-10-21","18:00:00",""
"7126297","10.3494","0.0006","8.4866","0.0005","14.9745","0.0008","90","","90","","90","","1315.23","0.13","324.99","0.1","324.99","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","0.5","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54184","CuKα","","0.0543","0.0531","","","0.1445","0.147","","","","","","1.034","","","","has coordinates,has disorder","252690","2020-10-21","18:00:00",""
"7126298","10.4242","0.001","8.5078","0.0008","15.0275","0.0014","90","","90","","90","","1332.7","0.2","384.99","0.1","384.99","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","0.5","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54184","CuKα","","0.0903","0.0673","","","0.1806","0.244","","","","","","1.179","","","","has coordinates,has disorder","252690","2020-10-21","18:00:00",""
"7126299","10.3262","0.0004","8.4855","0.0003","14.9627","0.0005","90","","90","","90","","1311.08","0.08","304.99","0.1","304.99","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","0.5","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54184","CuKα","","0.05","0.0489","","","0.1338","0.1358","","","","","","1.036","","","","has coordinates,has disorder","252690","2020-10-21","18:00:00",""
"7126300","9.9983","0.0001","8.5234","0.0001","14.8981","0.0002","90","","90","","90","","1269.61","0.03","200.01","0.1","200.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","1","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54178","CuKα","","0.0377","0.0373","","","0.0982","0.0987","","","","","","1.048","","","","has coordinates","252690","2020-10-21","18:00:00",""
"7126301","10.135","0.0002","8.5134","0.0001","14.9364","0.0003","90","","90","","90","","1288.76","0.04","260","0.1","260","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","1","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54178","CuKα","","0.0429","0.0421","","","0.1091","0.1107","","","","","","1.041","","","","has coordinates","252690","2020-10-21","18:00:00",""
"7126302","10.3809","0.0008","8.4936","0.0007","14.9835","0.0009","90","","90","","90","","1321.11","0.17","344.98","0.1","344.98","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","0.5","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54184","CuKα","","0.0668","0.0638","","","0.1839","0.1885","","","","","","1.106","","","","has coordinates,has disorder","252690","2020-10-21","18:00:00",""
"7126303","10.0402","0.0001","8.5197","0.0001","14.913","0.0002","90","","90","","90","","1275.65","0.03","220.01","0.1","220.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","1","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54178","CuKα","","0.039","0.0386","","","0.1015","0.1019","","","","","","1.028","","","","has coordinates","252690","2020-10-21","18:00:00",""
"7126304","10.3982","0.0008","8.5036","0.0007","15.0131","0.0011","90","","90","","90","","1327.49","0.18","364.98","0.1","364.98","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","0.5","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54184","CuKα","","0.0694","0.0621","","","0.1702","0.1846","","","","","","1.11","","","","has coordinates,has disorder","252690","2020-10-21","18:00:00",""
"7126305","6.8265","0.0012","7.2475","0.0013","13.022","0.002","87.473","0.005","79.192","0.006","79.227","0.005","621.65","0.18","299","2","299.09","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H16 N2 O4 -","- C11 H16 N2 O4 -","- C22 H32 N4 O8 -","2","1","","Deka, Jugal Kishore Rai; Sahariah, Biswajit; Baruah, Kalpita; Bar, Arun Kumar; Sarma, Bani Kanta","Conformational control of N-methyl-N,N'-diacylhydrazines by noncovalent carbon bonding in solution.","Chemical communications (Cambridge, England)","2020","56","36","4874","4877","10.1039/d0cc00943a","","","0.71073","MoKα","","0.0777","0.0621","","","0.1756","0.1923","","","","","","1.075","","","","has coordinates,has disorder","252717","2020-10-21","18:00:00",""
"7126306","8.872","0.0004","12.3858","0.0007","9.6316","0.0005","90","","90","","90","","1058.39","0.09","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Deka, Jugal Kishore Rai; Sahariah, Biswajit; Baruah, Kalpita; Bar, Arun Kumar; Sarma, Bani Kanta","Conformational control of N-methyl-N,N'-diacylhydrazines by noncovalent carbon bonding in solution.","Chemical communications (Cambridge, England)","2020","56","36","4874","4877","10.1039/d0cc00943a","","","0.71073","MoKα","","0.0558","0.0444","","","0.111","0.1218","","","","","","1.033","","","","has coordinates","252717","2020-10-21","18:00:00",""
"7126307","9.9477","0.0005","7.5082","0.0005","16.9603","0.0006","90","","90","","90","","1266.75","0.11","297","2","297.05","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H10 N3 O2 -","- C12 H17 N3 O2 -","- C48 H68 N12 O8 -","4","0.5","","Deka, Jugal Kishore Rai; Sahariah, Biswajit; Baruah, Kalpita; Bar, Arun Kumar; Sarma, Bani Kanta","Conformational control of N-methyl-N,N'-diacylhydrazines by noncovalent carbon bonding in solution.","Chemical communications (Cambridge, England)","2020","56","36","4874","4877","10.1039/d0cc00943a","","","0.71073","MoKα","","0.0738","0.0527","","","0.1345","0.1534","","","","","","1.087","","","","has coordinates,has disorder","252717","2020-10-21","18:00:00",""
"7126308","6.7495","0.0007","7.182","0.0007","14.8256","0.0013","76.262","0.003","80.534","0.003","62.981","0.003","620.58","0.11","298","2","297.93","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H13 N3 O5 -","- C10 H13 N3 O5 -","- C20 H26 N6 O10 -","2","1","","Deka, Jugal Kishore Rai; Sahariah, Biswajit; Baruah, Kalpita; Bar, Arun Kumar; Sarma, Bani Kanta","Conformational control of N-methyl-N,N'-diacylhydrazines by noncovalent carbon bonding in solution.","Chemical communications (Cambridge, England)","2020","56","36","4874","4877","10.1039/d0cc00943a","","","0.71073","MoKα","","0.0733","0.055","","","0.1378","0.1526","","","","","","1.071","","","","has coordinates","252717","2020-10-21","18:00:00",""
"7126309","8.7406","0.0012","13.897","0.002","9.5194","0.0017","90","","90","","90","","1156.3","0.3","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","","Deka, Jugal Kishore Rai; Sahariah, Biswajit; Baruah, Kalpita; Bar, Arun Kumar; Sarma, Bani Kanta","Conformational control of N-methyl-N,N'-diacylhydrazines by noncovalent carbon bonding in solution.","Chemical communications (Cambridge, England)","2020","56","36","4874","4877","10.1039/d0cc00943a","","","0.71073","MoKα","","0.0998","0.0495","","","0.1184","0.1427","","","","","","1.024","","","","has coordinates","252717","2020-10-21","18:00:00",""
"7126310","14.405","0.003","6.5909","0.001","14.669","0.002","90","","105.691","0.005","90","","1340.8","0.4","299","2","299.13","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 F3 N2 O3 -","- C11 H13 F3 N2 O3 -","- C44 H52 F12 N8 O12 -","4","1","","Deka, Jugal Kishore Rai; Sahariah, Biswajit; Baruah, Kalpita; Bar, Arun Kumar; Sarma, Bani Kanta","Conformational control of N-methyl-N,N'-diacylhydrazines by noncovalent carbon bonding in solution.","Chemical communications (Cambridge, England)","2020","56","36","4874","4877","10.1039/d0cc00943a","","","0.71073","MoKα","","0.1387","0.0782","","","0.2132","0.2673","","","","","","1.029","","","","has coordinates","252717","2020-10-21","18:00:00",""
"7126311","9.8467","0.0005","11.576","0.0005","9.697","0.0004","90","","90.927","0.002","90","","1105.17","0.09","297","2","296.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C44 H44 N12 O8 -","4","1","","Deka, Jugal Kishore Rai; Sahariah, Biswajit; Baruah, Kalpita; Bar, Arun Kumar; Sarma, Bani Kanta","Conformational control of N-methyl-N,N'-diacylhydrazines by noncovalent carbon bonding in solution.","Chemical communications (Cambridge, England)","2020","56","36","4874","4877","10.1039/d0cc00943a","","","0.71073","MoKα","","0.0633","0.0434","","","0.1097","0.1244","","","","","","1.093","","","","has coordinates,has disorder","252717","2020-10-21","18:00:00",""
"7126312","7.9437","0.0005","10.9876","0.0005","10.2274","0.0005","90","","90.435","0.004","90","","892.64","0.08","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N6 -","- C22 H16 N6 -","- C44 H32 N12 -","2","0.5","","Geringer, Eugenie; Leusmann, Eliza; Tambornino, Frank; Gerhard, Marina; Koch, Martin; Dehnen, Stefanie","Trapping of ZnCl<sub>2</sub> by bipyridyl-functionalized organotin sulfide clusters, and its effect on optical properties.","Chemical communications (Cambridge, England)","2020","56","35","4769","4772","10.1039/d0cc01887b","","","1.54186","CuKα","","0.051","0.032","","","0.075","0.0788","","","","","","0.939","","","","has coordinates","251585","2020-10-21","18:00:00",""
"7126313","19.5229","0.0005","18.0694","0.0003","8.8084","0.0002","90","","102.32","0.002","90","","3035.76","0.12","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cl4 N4 O2 Zn2 -","- C26 H16 Cl4 N4 O2 Zn2 -","- C104 H64 Cl16 N16 O8 Zn8 -","4","0.5","","Geringer, Eugenie; Leusmann, Eliza; Tambornino, Frank; Gerhard, Marina; Koch, Martin; Dehnen, Stefanie","Trapping of ZnCl<sub>2</sub> by bipyridyl-functionalized organotin sulfide clusters, and its effect on optical properties.","Chemical communications (Cambridge, England)","2020","56","35","4769","4772","10.1039/d0cc01887b","","","1.54186","CuKα","","0.0375","0.0309","","","0.0768","0.0784","","","","","","0.902","","","","has coordinates","251585","2020-10-21","18:00:00",""
"7126314","10.6519","0.001","8.1804","0.0006","15.5453","0.0015","90","","97.892","0.008","90","","1341.7","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl2 Co N4 -","- C12 H12 Cl2 Co N4 -","- C48 H48 Cl8 Co4 N16 -","4","1","","Geringer, Eugenie; Leusmann, Eliza; Tambornino, Frank; Gerhard, Marina; Koch, Martin; Dehnen, Stefanie","Trapping of ZnCl<sub>2</sub> by bipyridyl-functionalized organotin sulfide clusters, and its effect on optical properties.","Chemical communications (Cambridge, England)","2020","56","35","4769","4772","10.1039/d0cc01887b","","","0.71073","MoKα","","0.0805","0.0461","","","0.105","0.1124","","","","","","0.786","","","","has coordinates","251585","2020-10-21","18:00:00",""
"7126315","8.2052","0.0006","8.6043","0.0005","9.7408","0.0006","98.959","0.005","97.49","0.006","115.238","0.005","599.38","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H8 Cl2 N2 O Zn -","- C11 H8 Cl2 N2 O Zn -","- C22 H16 Cl4 N4 O2 Zn2 -","2","1","","Geringer, Eugenie; Leusmann, Eliza; Tambornino, Frank; Gerhard, Marina; Koch, Martin; Dehnen, Stefanie","Trapping of ZnCl<sub>2</sub> by bipyridyl-functionalized organotin sulfide clusters, and its effect on optical properties.","Chemical communications (Cambridge, England)","2020","56","35","4769","4772","10.1039/d0cc01887b","","","1.54186","CuKα","","0.0883","0.0487","","","0.1049","0.1115","","","","","","0.763","","","","has coordinates","251585","2020-10-21","18:00:00",""
"7126316","23.7332","0.0011","23.7332","0.0011","11.4025","0.0007","90","","90","","90","","6422.6","0.6","100","","100","","","","","","","","","7","P 42 21 2","P 4n 2n","94","","","","- C68 H76 Cl8 N16 S6 Sn4 Zn4 -","- C68 H76 Cl8 N16 S6 Sn4 Zn4 -","- C136 H152 Cl16 N32 S12 Sn8 Zn8 -","2","0.25","","Geringer, Eugenie; Leusmann, Eliza; Tambornino, Frank; Gerhard, Marina; Koch, Martin; Dehnen, Stefanie","Trapping of ZnCl<sub>2</sub> by bipyridyl-functionalized organotin sulfide clusters, and its effect on optical properties.","Chemical communications (Cambridge, England)","2020","56","35","4769","4772","10.1039/d0cc01887b","","","1.54186","CuKα","","0.1108","0.0868","","","0.2081","0.2328","","","","","","0.947","","","","has coordinates","251585","2020-10-21","18:00:00",""
"7126317","15.6802","0.0003","20.3433","0.0003","12.4505","0.0002","90","","109.194","0.001","90","","3750.77","0.11","100","","100","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C68 H77 N16 O S6 Sn4 -","- C68 H77 N16 O S6 Sn4 -","- C136 H154 N32 O2 S12 Sn8 -","2","0.5","","Geringer, Eugenie; Leusmann, Eliza; Tambornino, Frank; Gerhard, Marina; Koch, Martin; Dehnen, Stefanie","Trapping of ZnCl<sub>2</sub> by bipyridyl-functionalized organotin sulfide clusters, and its effect on optical properties.","Chemical communications (Cambridge, England)","2020","56","35","4769","4772","10.1039/d0cc01887b","","","1.54186","CuKα","","0.0429","0.0339","","","0.0834","0.0869","","","","","","0.982","","","","has coordinates,has disorder","251585","2020-10-21","18:00:00",""
"7126318","8.2648","0.001","10.0946","0.0009","12.9476","0.0016","104.143","0.009","101.316","0.01","100.545","0.009","996.4","0.2","150.15","","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H44 Cl4 N8 O2 Ru2 S2 -","- C35 H44 Cl4 N8 O2 Ru2 S2 -","- C35 H44 Cl4 N8 O2 Ru2 S2 -","1","0.5","","Geringer, Eugenie; Leusmann, Eliza; Tambornino, Frank; Gerhard, Marina; Koch, Martin; Dehnen, Stefanie","Trapping of ZnCl<sub>2</sub> by bipyridyl-functionalized organotin sulfide clusters, and its effect on optical properties.","Chemical communications (Cambridge, England)","2020","56","35","4769","4772","10.1039/d0cc01887b","","x-ray","0.71073","MoKα","","0.0347","0.0295","","","0.0763","0.0785","","","","","","1.05","","","","has coordinates,has disorder","251585","2020-10-21","18:00:00",""
"7126319","25.9881","0.0011","22.3278","0.0007","15.5336","0.0005","90","","90","","90","","9013.5","0.6","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79.5 H83 Cl7 N16 S6 Sn4 -","- C79.5 H83 Cl7 N16 S6 Sn4 -","- C318 H332 Cl28 N64 S24 Sn16 -","4","1","","Geringer, Eugenie; Leusmann, Eliza; Tambornino, Frank; Gerhard, Marina; Koch, Martin; Dehnen, Stefanie","Trapping of ZnCl<sub>2</sub> by bipyridyl-functionalized organotin sulfide clusters, and its effect on optical properties.","Chemical communications (Cambridge, England)","2020","56","35","4769","4772","10.1039/d0cc01887b","","","1.54186","CuKα","","0.0719","0.0543","","","0.1347","0.1414","","","","","","0.896","","","","has coordinates,has disorder","251585","2020-10-21","18:00:00",""
"7126320","18.9774","0.0003","14.0644","0.0002","34.0542","0.0004","90","","91.842","0.001","90","","9084.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C93 H95 B F24 N4 O3 -","- C93 H95 B F24 N4 O3 -","- C372 H380 B4 F96 N16 O12 -","4","1","","Hsueh, Fang-Che; Tsai, Chi-You; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Sheng-Hsien","Interlocking increases the persistence of N-heterocyclic carbenes in solution.","Chemical communications (Cambridge, England)","2020","56","35","4773","4776","10.1039/d0cc01183e","","","1.54178","CuKα","","0.0853","0.058","","","0.1356","0.1633","","","","","","1.021","","","","has coordinates","251580","2020-10-21","18:00:00",""
"7126321","16.4668","0.0002","21.1135","0.0003","27.6864","0.0003","90","","103.746","0.001","90","","9350.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94.5 H99 B Cl2 F24 N4 O3.5 -","- C94.5 H99 B Cl2 F24 N4 O3.5 -","- C378 H396 B4 Cl8 F96 N16 O14 -","4","1","","Hsueh, Fang-Che; Tsai, Chi-You; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Sheng-Hsien","Interlocking increases the persistence of N-heterocyclic carbenes in solution.","Chemical communications (Cambridge, England)","2020","56","35","4773","4776","10.1039/d0cc01183e","","","1.54178","CuKα","","0.0856","0.0709","","","0.1948","0.2124","","","","","","1.014","","","","has coordinates,has disorder","251580","2020-10-21","18:00:00",""
"7126322","18.6997","0.0004","17.6316","0.0003","20.1905","0.0005","90","","117.532","0.003","90","","5903","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C66 H100 N4 -","- C66 H100 N4 -","- C264 H400 N16 -","4","1","","Hsueh, Fang-Che; Tsai, Chi-You; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Sheng-Hsien","Interlocking increases the persistence of N-heterocyclic carbenes in solution.","Chemical communications (Cambridge, England)","2020","56","35","4773","4776","10.1039/d0cc01183e","","","0.71073","MoKα","","0.074","0.0548","","","0.1362","0.1508","","","","","","1.028","","","","has coordinates","251580","2020-10-21","18:00:00",""
"7126323","22.6094","0.0003","17.959","0.0002","29.4427","0.0004","90","","111.156","0.002","90","","11149.2","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C61 H82 N4 O3 -","- C61 H82 N4 O3 -","- C488 H656 N32 O24 -","8","4","","Hsueh, Fang-Che; Tsai, Chi-You; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Sheng-Hsien","Interlocking increases the persistence of N-heterocyclic carbenes in solution.","Chemical communications (Cambridge, England)","2020","56","35","4773","4776","10.1039/d0cc01183e","","","0.71073","MoKα","","0.0968","0.0656","","","0.1604","0.1866","","","","","","0.99","","","","has coordinates,has disorder","251580","2020-10-21","18:00:00",""
"7126324","5.5867","0.0013","10.71","0.003","28.421","0.008","90","","90","","90","","1700.5","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 Pt -","- C21 H30 Pt -","- C84 H120 Pt4 -","4","1","","Ernst, Lukas D.; Koessler, Konstantin; Peter, Andreas; Kratzert, Daniel; Scherer, Harald; Butschke, Burkhard","A heterodinuclear, formal Au<sup>+I</sup>Pt<sup>0</sup> complex with weakly bound alkene ligands.","Chemical communications (Cambridge, England)","2020","56","40","5350","5353","10.1039/d0cc01719a","","x-ray","0.71073","MoKα","","0.0207","0.0183","","","0.0372","0.0376","","","","","","0.938","","","","has coordinates,has disorder","252712","2020-10-21","18:00:00",""
"7126325","12.7747","0.0006","12.7853","0.0006","13.1193","0.0006","82.101","0.001","88.764","0.001","64.259","0.001","1910.06","0.15","100","","100","","","","","","","","","8","P 1","P 1","1","","","","- C74 H63 Au B Cl6 F24 P Pt -","- C74 H63 Au B Cl6 F23.997 P Pt -","- C74 H63 Au B Cl6 F23.997 P Pt -","1","1","","Ernst, Lukas D.; Koessler, Konstantin; Peter, Andreas; Kratzert, Daniel; Scherer, Harald; Butschke, Burkhard","A heterodinuclear, formal Au<sup>+I</sup>Pt<sup>0</sup> complex with weakly bound alkene ligands.","Chemical communications (Cambridge, England)","2020","56","40","5350","5353","10.1039/d0cc01719a","","","0.71073","MoKα","","0.025","0.023","","","0.056","0.0568","","","","","","1.045","","","","has coordinates,has disorder","252712","2020-10-21","18:00:00",""
"7126326","12.3657","0.0011","15.5627","0.0014","19.1346","0.0018","95.961","0.003","108.064","0.003","101.326","0.003","3378.6","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C71 H57 Au B F24 P Pt -","- C71 H57 Au B F24 P Pt -","- C142 H114 Au2 B2 F48 P2 Pt2 -","2","1","","Ernst, Lukas D.; Koessler, Konstantin; Peter, Andreas; Kratzert, Daniel; Scherer, Harald; Butschke, Burkhard","A heterodinuclear, formal Au<sup>+I</sup>Pt<sup>0</sup> complex with weakly bound alkene ligands.","Chemical communications (Cambridge, England)","2020","56","40","5350","5353","10.1039/d0cc01719a","","","0.71073","MoKα","","0.0591","0.0386","","","0.0858","0.093","","","","","","1.04","","","","has coordinates,has disorder","252712","2020-10-21","18:00:00",""
"7126327","8.2844","0.0011","8.6986","0.0012","10.7524","0.0015","68.114","0.004","78.9","0.004","68.561","0.004","667.83","0.16","153","2","153","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H9 Cl O3 -","- C17 H9 Cl O3 -","- C34 H18 Cl2 O6 -","2","1","","Han, Xi; Kong, Lingheng; Feng, Jiami; Li, Xingwei","Rhodium(iii)-catalyzed synthesis of spirocyclic isoindole N-oxides and isobenzofuranones via C-H activation and spiroannulation.","Chemical communications (Cambridge, England)","2020","56","41","5528","5531","10.1039/d0cc00830c","","","0.71073","MoKα","","0.0485","0.0387","","","0.113","0.1287","","","","","","1.184","","","","has coordinates","252692","2020-10-21","18:00:00",""
"7126328","14.2587","0.0001","18.3783","0.0002","25.4318","0.0003","70.965","0.001","78.342","0.001","79.57","0.001","6122.15","0.11","169.99","0.11","169.99","0.11","","","","","","","","5","P 1","P 1","1","","","","- C H N O S -","- C2.93023 H2.82558 N0.395349 O0.72093 S0.0930233 -","- C252 H243 N34 O62 S8 -","86","86","","Wang, Danbo; Kan, Xiaonan; Wu, Chenyu; Gong, Yuzhen; Guo, Guangming; Liang, Tongling; Wang, Lan; Li, Zhibo; Zhao, Yingjie","Charge transfer co-crystals based on donor-acceptor interactions for near-infrared photothermal conversion.","Chemical communications (Cambridge, England)","2020","56","39","5223","5226","10.1039/d0cc01834a","","x-ray","1.54184","CuKα","","0.091","0.0853","","","0.247","0.2536","","","","","","2.08","","","","has coordinates,has disorder","252708","2020-10-21","18:00:00",""
"7126329","6.9644","0.0003","11.4537","0.0005","11.8747","0.0005","97.514","0.003","97.294","0.003","93.446","0.003","928.65","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","amc873.1_150K","","","- C21 H24 N2 O2 S -","- C21 H24 N2 O2 S -","- C42 H48 N4 O4 S2 -","2","1","","Molina, Alba; Díaz-Tendero, Sergio; Adrio, Javier; Carretero, Juan C.","Catalytic asymmetric synthesis of diazabicyclo[3.1.0]hexanes by 1,3-dipolar cycloaddition of azomethine ylides with azirines.","Chemical communications (Cambridge, England)","2020","56","37","5050","5053","10.1039/d0cc01061h","","","0.71073","MoKα","","0.059","0.0374","","","0.0929","0.1188","","","","","","1.135","","","","has coordinates","252686","2020-10-21","18:00:00",""
"7126330","8.9247","0.0004","9.9994","0.0004","17.016","0.0008","90.709","0.003","96.541","0.003","116.439","0.002","1347.46","0.11","250","2","250","2","","","","","","","","4","P -1","-P 1","2","amcpyrene_250K","","","- C36 H30 N2 O2 -","- C36 H30 N2 O2 -","- C72 H60 N4 O4 -","2","1","","Molina, Alba; Díaz-Tendero, Sergio; Adrio, Javier; Carretero, Juan C.","Catalytic asymmetric synthesis of diazabicyclo[3.1.0]hexanes by 1,3-dipolar cycloaddition of azomethine ylides with azirines.","Chemical communications (Cambridge, England)","2020","56","37","5050","5053","10.1039/d0cc01061h","","","0.71073","MoKα","","0.1174","0.0487","","","0.1123","0.1524","","","","","","1.015","","","","has coordinates","252686","2020-10-21","18:00:00",""
"7126331","12.9341","0.0002","15.4591","0.0003","20.0358","0.0003","70.853","0.001","79.029","0.001","88.937","0.001","3711.2","0.11","200","","200","","","","","","","","","6","P -1","-P 1","2","AS197","","","- C88 H78 N4 P4 Pt2 Si2 -","- C88 H78 N4 P4 Pt2 Si2 -","- C176 H156 N8 P8 Pt4 Si4 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.; Sharma, Manab; Sinha, Arup; Ward, Jas S.","Semi-bridging σ-silyls as Z-type ligands.","Chemical communications (Cambridge, England)","2020","56","24","3532","3535","10.1039/c9cc07763d","","","0.71073","MoKα","","0.0586","0.0368","","","0.079","0.0875","","","","","","1.025","","","","has coordinates","250128","2020-10-21","18:00:00",""
"7126332","12.6509","0.0003","16.9249","0.0006","17.6665","0.0006","81.189","0.0012","77.4286","0.0016","73.2272","0.0017","3518.3","0.2","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C85 H75 N4 Ni2 P4 Si2 -","- C85 H75 N4 Ni2 P4 Si2 -","- C170 H150 N8 Ni4 P8 Si4 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.; Sharma, Manab; Sinha, Arup; Ward, Jas S.","Semi-bridging σ-silyls as Z-type ligands.","Chemical communications (Cambridge, England)","2020","56","24","3532","3535","10.1039/c9cc07763d","","","0.71073","MoKα","","0.073","0.0438","","","0.0942","0.1071","","","","","","1.044","","","","has coordinates","250128","2020-10-21","18:00:00",""
"7126333","13.545","0.0003","17.6245","0.0006","17.7005","0.0004","99.727","0.002","103.685","0.002","109.549","0.003","3724.1","0.2","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C88 H78 N4 P4 Pd2 Si2 -","- C88 H78 N4 P4 Pd2 Si2 -","- C176 H156 N8 P8 Pd4 Si4 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.; Sharma, Manab; Sinha, Arup; Ward, Jas S.","Semi-bridging σ-silyls as Z-type ligands.","Chemical communications (Cambridge, England)","2020","56","24","3532","3535","10.1039/c9cc07763d","","x-ray","1.54184","CuKα","","0.063","0.0558","","","0.1423","0.1515","","","","","","1.033","","","","has coordinates","250128","2020-10-21","18:00:00",""
"7126334","15.2966","0.0004","17.7385","0.0003","24.6648","0.0005","90","","95.051","0.002","90","","6666.5","0.2","100","","100","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C134 H136 Cu4 N8 O30 -","- C116 H94 Cu4 N2 O24 -","- C232 H188 Cu8 N4 O48 -","2","0.5","","Craig, Gavin A.; Larpent, Patrick; Urabe, Hinano; Legrand, Alexandre; Bonneau, Mickaele; Kusaka, Shinpei; Furukawa, Shuhei","Hysteresis in the gas sorption isotherms of metal-organic cages accompanied by subtle changes in molecular packing.","Chemical communications (Cambridge, England)","2020","56","25","3689","3692","10.1039/d0cc00932f","","x-ray","0.71073","MoKα","","0.0701","0.0541","","","0.1588","0.1694","","","","","","1.039","","","","has coordinates","250129","2020-10-21","18:00:00",""
"7126335","14.2345","0.0003","29.3603","0.0005","16.598","0.0004","90","","111.254","0.003","90","","6465","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C128.5 H124 Cu4 N7 O29 -","- C114.1 H91.6 Cu4 N3.4 O25.4 -","- C228.2 H183.2 Cu8 N6.8 O50.8 -","2","0.5","","Craig, Gavin A.; Larpent, Patrick; Urabe, Hinano; Legrand, Alexandre; Bonneau, Mickaele; Kusaka, Shinpei; Furukawa, Shuhei","Hysteresis in the gas sorption isotherms of metal-organic cages accompanied by subtle changes in molecular packing.","Chemical communications (Cambridge, England)","2020","56","25","3689","3692","10.1039/d0cc00932f","","x-ray","0.71073","MoKα","","0.0754","0.0602","","","0.1634","0.1746","","","","","","1.072","","","","has coordinates,has disorder","250129","2020-10-21","18:00:00",""
"7126336","21.9296","0.0006","9.847","0.0003","22.4505","0.0007","90","","109.159","0.003","90","","4579.5","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H60 Cl2 N8 -","- C51 H60 Cl2 N8 -","- C204 H240 Cl8 N32 -","4","1","","Zhang, Li-Peng; Li, Xianqiang; Liu, Tianlong; Kang, Lin; Huang, Xing; Zhao, Yuxia","A water-soluble pyrazino[2,3-g]quinoxaline photosensitizer for high-efficiency one- and two-photon excited bioimaging and photodynamic therapy.","Chemical communications (Cambridge, England)","2020","56","41","5544","5547","10.1039/d0cc02285c","","x-ray","1.54184","CuKα","","0.097","0.0894","","","0.2619","0.2672","","","","","","1.105","","","","has coordinates,has disorder","252691","2020-10-21","18:00:00",""
"7126337","18.7868","0.0003","9.84896","0.00013","19.3586","0.0003","90","","108.143","0.0017","90","","3403.85","0.09","292.39","0.14","292.39","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C160 H176 N16 O16 -","8","2","","An, Yang; Zhang, Bo-Sheng; Zhang, Zhe; Liu, Ce; Gou, Xue-Ya; Ding, Ya-Nan; Liang, Yong-Min","A carboxylate-assisted amination/unactivated C(sp<sup>2</sup>)-H arylation reaction via a palladium/norbornene cooperative catalysis.","Chemical communications (Cambridge, England)","2020","56","44","5933","5936","10.1039/c9cc09265j","","","1.54184","CuKα","","0.0435","0.0384","","","0.0992","0.104","","","","","","1.034","","","","has coordinates","292638","2024-06-28","09:33:36",""
"7126338","9.3251","0.0003","18.1174","0.0006","10.1704","0.0004","90","","98.755","0.003","90","","1698.23","0.1","292.26","0.11","292.26","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl N2 O3 -","- C19 H19 Cl N2 O3 -","- C76 H76 Cl4 N8 O12 -","4","1","","An, Yang; Zhang, Bo-Sheng; Zhang, Zhe; Liu, Ce; Gou, Xue-Ya; Ding, Ya-Nan; Liang, Yong-Min","A carboxylate-assisted amination/unactivated C(sp<sup>2</sup>)-H arylation reaction via a palladium/norbornene cooperative catalysis.","Chemical communications (Cambridge, England)","2020","56","44","5933","5936","10.1039/c9cc09265j","","","1.54184","CuKα","","0.0534","0.0436","","","0.1086","0.1177","","","","","","1.056","","","","has coordinates","252679","2020-10-21","18:00:00",""
"7126339","9.411","0.0005","9.7287","0.0005","9.9501","0.0006","87.849","0.004","85.541","0.005","72.201","0.005","864.68","0.09","292.49","0.1","292.49","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C40 H44 N4 O6 -","2","1","","An, Yang; Zhang, Bo-Sheng; Zhang, Zhe; Liu, Ce; Gou, Xue-Ya; Ding, Ya-Nan; Liang, Yong-Min","A carboxylate-assisted amination/unactivated C(sp<sup>2</sup>)-H arylation reaction via a palladium/norbornene cooperative catalysis.","Chemical communications (Cambridge, England)","2020","56","44","5933","5936","10.1039/c9cc09265j","","","1.54184","CuKα","","0.043","0.0388","","","0.109","0.1128","","","","","","1.092","","","","has coordinates","252679","2020-10-21","18:00:00",""
"7126340","17.1703","0.0005","9.1104","0.0002","19.1959","0.0006","90","","115.406","0.004","90","","2712.38","0.16","292.59","0.1","292.59","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 F N O2 -","- C17 H16 F N O2 -","- C136 H128 F8 N8 O16 -","8","2","","An, Yang; Zhang, Bo-Sheng; Zhang, Zhe; Liu, Ce; Gou, Xue-Ya; Ding, Ya-Nan; Liang, Yong-Min","A carboxylate-assisted amination/unactivated C(sp<sup>2</sup>)-H arylation reaction via a palladium/norbornene cooperative catalysis.","Chemical communications (Cambridge, England)","2020","56","44","5933","5936","10.1039/c9cc09265j","","","1.54184","CuKα","","0.0603","0.0433","","","0.105","0.1189","","","","","","1.05","","","","has coordinates","252679","2020-10-21","18:00:00",""
"7126341","11.9106","0.0005","6.1532","0.0003","37.0164","0.0017","90","","97.119","0.004","90","","2692","0.2","173.2","0.1","173.2","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","2","","An, Yang; Zhang, Bo-Sheng; Zhang, Zhe; Liu, Ce; Gou, Xue-Ya; Ding, Ya-Nan; Liang, Yong-Min","A carboxylate-assisted amination/unactivated C(sp<sup>2</sup>)-H arylation reaction via a palladium/norbornene cooperative catalysis.","Chemical communications (Cambridge, England)","2020","56","44","5933","5936","10.1039/c9cc09265j","","x-ray","1.54184","CuKα","","0.0489","0.0396","","","0.098","0.1067","","","","","","1.046","","","","has coordinates","292638","2024-06-28","09:33:36",""
"7126342","10.8947","0.0006","17.8622","0.0008","11.5657","0.0006","90","","106.714","0.007","90","","2155.6","0.2","103","","103","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cu F6 N5 O4 -","- C19 H17 Cu F6 N5 O4 -","- C76 H68 Cu4 F24 N20 O16 -","4","1","","Fukatsu, Arisa; Morimoto, Yuma; Sugimoto, Hideki; Itoh, Shinobu","Modelling a 'histidine brace' motif in mononuclear copper monooxygenases.","Chemical communications (Cambridge, England)","2020","56","38","5123","5126","10.1039/d0cc01392g","","","0.71075","MoKα","","0.0522","0.0374","","","0.0812","0.0864","","","","","","1.019","","","","has coordinates,has disorder","252719","2020-10-21","18:00:00",""
"7126343","13.0724","0.0006","19.3867","0.0007","13.9064","0.0007","90","","95.742","0.004","90","","3506.6","0.3","133","2","133","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C25 H36.5 Br4 Fe2 N10.5 O0.5 -","- C25 H36.5 Br4 Fe2 N10.5 O0.5 -","- C100 H146 Br16 Fe8 N42 O2 -","4","1","","Chen, Bai-Ling; Zhang, Yuan; Lei, Ya-Ru; Wang, Hui-Ming; Chen, Zili","An allenylidene Au(i) catalyst derived from triazole units and its initial application.","Chemical communications (Cambridge, England)","2020","56","43","5787","5790","10.1039/d0cc00429d","","","0.71073","MoKα","","0.0741","0.0526","","","0.0841","0.0894","","","","","","1.145","","","","has coordinates,has disorder","252695","2020-10-21","18:00:00",""
"7126344","11.3683","0.0006","9.5614","0.0005","24.806","0.0014","90","","93.908","0.002","90","","2690.1","0.3","150","2","149.98","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 Au Cl2 N3 P -","- C29 H23 Au Cl2 N3 P -","- C116 H92 Au4 Cl8 N12 P4 -","4","1","","Chen, Bai-Ling; Zhang, Yuan; Lei, Ya-Ru; Wang, Hui-Ming; Chen, Zili","An allenylidene Au(i) catalyst derived from triazole units and its initial application.","Chemical communications (Cambridge, England)","2020","56","43","5787","5790","10.1039/d0cc00429d","","","0.71073","MoKα","","0.0394","0.026","","","0.0568","0.062","","","","","","1.027","","","","has coordinates,has disorder","252695","2020-10-21","18:00:00",""
"7126345","13.575","0.003","7.1746","0.0017","13.838","0.003","90","","106.575","0.007","90","","1291.8","0.5","150","2","150.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Au Cl N3 -","- C12 H11 Au0.98 Cl N3 -","- C48 H44 Au3.92 Cl4 N12 -","4","1","","Chen, Bai-Ling; Zhang, Yuan; Lei, Ya-Ru; Wang, Hui-Ming; Chen, Zili","An allenylidene Au(i) catalyst derived from triazole units and its initial application.","Chemical communications (Cambridge, England)","2020","56","43","5787","5790","10.1039/d0cc00429d","","","0.71073","MoKα","","0.0897","0.0547","","","0.1278","0.144","","","","","","0.873","","","","has coordinates,has disorder","252695","2020-10-21","18:00:00",""
"7126346","27.272","0.002","6.921","0.0006","14.9043","0.0014","90","","116.111","0.003","90","","2526.1","0.4","","","199.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 B F4 N3 -","- C11 H10 B F4 N3 -","- C88 H80 B8 F32 N24 -","8","1","","Chen, Bai-Ling; Zhang, Yuan; Lei, Ya-Ru; Wang, Hui-Ming; Chen, Zili","An allenylidene Au(i) catalyst derived from triazole units and its initial application.","Chemical communications (Cambridge, England)","2020","56","43","5787","5790","10.1039/d0cc00429d","","","0.71073","MoKα","","0.0612","0.0458","","","0.1247","0.1358","","","","","","1.1321","","","","has coordinates","298328","2025-03-07","16:31:39",""
"7126347","18.066","0.0007","19.955","0.0007","24.133","0.0008","90","","108.477","0.001","90","","8251.6","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H94 B6 F6 O12 -","- C89 H54 B6 F6 O12 -","- C356 H216 B24 F24 O48 -","4","0.5","","Takata, Hisatsugu; Ono, Kosuke; Iwasawa, Nobuharu","Controlled release of the guest molecule via borate formation of a fluorinated boronic ester cage.","Chemical communications (Cambridge, England)","2020","56","42","5613","5616","10.1039/d0cc01441a","","x-ray","0.71073","MoKα","","0.1456","0.1295","","","0.4076","0.4332","","","","","","1.931","","","","has coordinates,has disorder","252705","2020-10-21","18:00:00",""
"7126348","20.236","0.003","9.7971","0.0016","17.139","0.003","90","","93.473","0.005","90","","3391.6","1","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 -","- C20 H23 N3 -","- C160 H184 N24 -","8","2","","Sathish Kumar, B.; Pati, Narendra N.; Jose, K. V. Jovan; Panda, Pradeepta K.","Synthetic access to calix[3]pyrroles via meso-expansion: hosts with diverse guest chemistry.","Chemical communications (Cambridge, England)","2020","56","42","5637","5640","10.1039/d0cc01447h","","","0.71073","MoKα","","0.1112","0.0596","","","0.1575","0.1849","","","","","","1.045","","","","has coordinates","252699","2020-10-21","18:00:00",""
"7126349","11.3125","0.0017","9.7429","0.0013","17.745","0.003","90","","95.103","0.005","90","","1948","0.5","299","2","299","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N3 -","- C24 H25 N3 -","- C96 H100 N12 -","4","1","","Sathish Kumar, B.; Pati, Narendra N.; Jose, K. V. Jovan; Panda, Pradeepta K.","Synthetic access to calix[3]pyrroles via meso-expansion: hosts with diverse guest chemistry.","Chemical communications (Cambridge, England)","2020","56","42","5637","5640","10.1039/d0cc01447h","","","0.71073","MoKα","","0.108","0.0603","","","0.1496","0.1727","","","","","","1.036","","","","has coordinates","252699","2020-10-21","18:00:00",""
"7126350","18.2435","0.0015","11.4952","0.0009","18.5875","0.0012","90","","110.086","0.002","90","","3660.9","0.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 N3 O -","- C20 H27 N3 O -","- C160 H216 N24 O8 -","8","2","","Sathish Kumar, B.; Pati, Narendra N.; Jose, K. V. Jovan; Panda, Pradeepta K.","Synthetic access to calix[3]pyrroles via meso-expansion: hosts with diverse guest chemistry.","Chemical communications (Cambridge, England)","2020","56","42","5637","5640","10.1039/d0cc01447h","","","0.71073","MoKα","","0.0503","0.0408","","","0.1304","0.139","","","","","","1.07","","","","has coordinates","252699","2020-10-21","18:00:00",""
"7126351","28.82","0.009","13.989","0.003","18.95","0.005","90","","103.355","0.006","90","","7433","3","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 Br2 N2 -","- C21 H14 Br2 N2 -","- C336 H224 Br32 N32 -","16","2","","Zhu, Zhongzhi; Lin, Hanze; Liang, Baihui; Huang, Junjie; Liang, Wanyi; Chen, Lu; Huang, Yubing; Chen, Xiuwen; Li, Yibiao","Copper-catalyzed [2+3]-annulation of N-H imines with vinyl azides: access to polyaryl 2H-imidazoles.","Chemical communications (Cambridge, England)","2020","56","42","5621","5624","10.1039/c9cc10042c","","","0.71073","MoKα","","0.1176","0.046","","","0.0906","0.1121","","","","","","1","","","","has coordinates","292638","2024-06-28","09:33:36",""
"7126352","12.1364","0.0003","17.5731","0.0004","22.0778","0.0004","90","","92.7639","0.0017","90","","4703.15","0.18","293.32","0.18","293.32","0.18","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H65 N O2 -","- C48 H64.609 N O2 -","- C192 H258.436 N4 O8 -","4","1","","Xue, Guodong; Hu, Xiaoguang; Chen, Hanjiao; Ge, Lingbing; Wang, Wenxiang; Xiong, Jingyuan; Miao, Fang; Zheng, Yonghao","Understanding the nature of quinoidal and zwitterionic states in carbazole-based diradicals.","Chemical communications (Cambridge, England)","2020","56","38","5143","5146","10.1039/d0cc01948h","","x-ray","1.54184","CuKα","","0.0913","0.0711","","","0.2072","0.231","","","","","","1.027","","","","has coordinates,has disorder","252722","2020-10-21","18:00:00",""
"7126353","15.1373","0.0014","14.4119","0.0013","16.4702","0.0015","90","","90","","90","","3593.1","0.6","242","2","242","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H13 Cl N3 S -","- C21 H14 Cl N3 S -","- C168 H112 Cl8 N24 S8 -","8","1","","Guo, Tao; Wei, Xu-Ning; Zhang, Miao; Liu, Yu; Zhu, Li-Min; Zhao, Yun-Hui","Catalyst and additive-free oxidative dual C-H sulfenylation of imidazoheterocycles with elemental sulfur using DMSO as a solvent and an oxidant.","Chemical communications (Cambridge, England)","2020","56","43","5751","5754","10.1039/d0cc00043d","","","1.54178","cukα","","0.028","0.0276","","","0.075","0.0753","","","","","","1.067","","","","has coordinates","252696","2020-10-21","18:00:00",""
"7126354","8.0283","0.0005","10.563","0.0007","19.1653","0.0013","90","","90","","90","","1625.27","0.18","194","2","194","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N3 S -","- C20 H17 N3 S -","- C80 H68 N12 S4 -","4","1","","Guo, Tao; Wei, Xu-Ning; Zhang, Miao; Liu, Yu; Zhu, Li-Min; Zhao, Yun-Hui","Catalyst and additive-free oxidative dual C-H sulfenylation of imidazoheterocycles with elemental sulfur using DMSO as a solvent and an oxidant.","Chemical communications (Cambridge, England)","2020","56","43","5751","5754","10.1039/d0cc00043d","","","1.54178","cukα","","0.1179","0.1178","","","0.2958","0.2959","","","","","","1.093","","","","has coordinates","252696","2020-10-21","18:00:00",""
"7126355","13.557","0.0009","15.9431","0.0009","12.6454","0.0008","90","","101.401","0.002","90","","2679.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N2 O3 S2 -","- C27 H30 N2 O3 S2 -","- C108 H120 N8 O12 S8 -","4","1","","Reddy, Angula Chandra Shekar; Ramachandran, Kuppan; Reddy, Palagulla Maheswar; Anbarasan, Pazhamalai","Rhodium-catalyzed Sommelet-Hauser type rearrangement of α-diazoimines: synthesis of functionalized enamides.","Chemical communications (Cambridge, England)","2020","56","42","5649","5652","10.1039/d0cc00016g","","","0.71073","MoKα","","0.1161","0.0605","","","0.1537","0.1988","","","","","","1.066","","","","has coordinates,has disorder","252704","2020-10-21","18:00:00",""
"7126356","6.0865","0.001","17.576","0.004","20.351","0.003","90","","90","","90","","2177.1","0.7","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H8 N2 S2 -","- C12 H8 N2 S2 -","- C96 H64 N16 S16 -","8","1","","Huang, Guoling; Li, Jian; Ji, Xiaoliang; Chen, Lu; Liu, Qiang; Chen, Xiuwen; Huang, Yubing; Li, Yibiao","Access to 4-substituted isothiazoles through three-component cascade annulation and their application in C-H activation.","Chemical communications (Cambridge, England)","2020","56","43","5763","5766","10.1039/d0cc01100b","","x-ray","0.71073","MoKα","","0.096","0.0701","","","0.164","0.1832","","","","","","1.022","","","","has coordinates","252694","2020-10-21","18:00:00",""
"7126357","7.8212","0.0006","5.9264","0.0004","16.1736","0.0011","90","","91.155","0.007","90","","749.52","0.09","100","0.1","100","0.1","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C18 H12 N2 S2 -","- C18 H12 N2 S2 -","- C36 H24 N4 S4 -","2","0.5","","Huang, Guoling; Li, Jian; Ji, Xiaoliang; Chen, Lu; Liu, Qiang; Chen, Xiuwen; Huang, Yubing; Li, Yibiao","Access to 4-substituted isothiazoles through three-component cascade annulation and their application in C-H activation.","Chemical communications (Cambridge, England)","2020","56","43","5763","5766","10.1039/d0cc01100b","","x-ray","0.71073","MoKα","","0.0374","0.0352","","","0.0798","0.0822","","","","","","1.047","","","","has coordinates","252694","2020-10-21","18:00:00",""
"7126358","6.9853","0.0019","8.3741","0.0016","14.638","0.003","90","","99.28","0.02","90","","845.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N O2 S -","- C10 H7 N O2 S -","- C40 H28 N4 O8 S4 -","4","1","","Huang, Guoling; Li, Jian; Ji, Xiaoliang; Chen, Lu; Liu, Qiang; Chen, Xiuwen; Huang, Yubing; Li, Yibiao","Access to 4-substituted isothiazoles through three-component cascade annulation and their application in C-H activation.","Chemical communications (Cambridge, England)","2020","56","43","5763","5766","10.1039/d0cc01100b","","x-ray","0.71073","MoKα","","0.0646","0.0532","","","0.1579","0.1685","","","","","","1.069","","","","has coordinates","252694","2020-10-21","18:00:00",""
"7126359","10.2475","0.0006","4.8212","0.0002","15.131","0.0008","90","","109.221","0.006","90","","705.88","0.07","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H12 B2 F4 N4 O -","- C12 H12 B2 F4 N4 O -","- C24 H24 B4 F8 N8 O2 -","2","1","","Pookkandam Parambil, Shandev; de Jong, Flip; Veys, Koen; Huang, Jianjun; Veettil, Santhini Pulikkal; Verhaeghe, Davy; Van Meervelt, Luc; Escudero, Daniel; Van der Auweraer, Mark; Dehaen, Wim","BOPAHY: a doubly chelated highly fluorescent pyrrole-acyl hydrazone -BF<sub>2</sub> chromophore.","Chemical communications (Cambridge, England)","2020","56","43","5791","5794","10.1039/d0cc01131b","","x-ray","0.71073","MoKα","","0.0431","0.0363","","","0.0813","0.0857","","","","","","1.112","","","","has coordinates","252697","2020-10-21","18:00:00",""
"7126360","23.933","0.001","12.5943","0.0006","4.744","0.0002","90","","90","","90","","1429.93","0.11","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H11 B2 F4 N3 O2 -","- C12 H11 B2 F4 N3 O2 -","- C48 H44 B8 F16 N12 O8 -","4","1","","Pookkandam Parambil, Shandev; de Jong, Flip; Veys, Koen; Huang, Jianjun; Veettil, Santhini Pulikkal; Verhaeghe, Davy; Van Meervelt, Luc; Escudero, Daniel; Van der Auweraer, Mark; Dehaen, Wim","BOPAHY: a doubly chelated highly fluorescent pyrrole-acyl hydrazone -BF<sub>2</sub> chromophore.","Chemical communications (Cambridge, England)","2020","56","43","5791","5794","10.1039/d0cc01131b","","x-ray","0.71073","MoKα","","0.0549","0.04","","","0.09","0.099","","","","","","1.063","","","","has coordinates","252697","2020-10-21","18:00:00",""
"7126361","12.9329","0.0011","4.8706","0.0004","19.777","0.002","90","","103.631","0.009","90","","1210.68","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 B2 F4 N3 O -","- C9 H11 B2 F4 N3 O -","- C36 H44 B8 F16 N12 O4 -","4","1","","Pookkandam Parambil, Shandev; de Jong, Flip; Veys, Koen; Huang, Jianjun; Veettil, Santhini Pulikkal; Verhaeghe, Davy; Van Meervelt, Luc; Escudero, Daniel; Van der Auweraer, Mark; Dehaen, Wim","BOPAHY: a doubly chelated highly fluorescent pyrrole-acyl hydrazone -BF<sub>2</sub> chromophore.","Chemical communications (Cambridge, England)","2020","56","43","5791","5794","10.1039/d0cc01131b","","x-ray","0.71073","MoKα","","0.063","0.0461","","","0.1242","0.1302","","","","","","1.039","","","","has coordinates","252697","2020-10-21","18:00:00",""
"7126362","8.1042","0.0006","9.7049","0.0009","10.4691","0.001","80.218","0.008","86.082","0.008","87.104","0.007","808.9","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 B2 F4 N4 O -","- C14 H16 B2 F4 N4 O -","- C28 H32 B4 F8 N8 O2 -","2","1","","Pookkandam Parambil, Shandev; de Jong, Flip; Veys, Koen; Huang, Jianjun; Veettil, Santhini Pulikkal; Verhaeghe, Davy; Van Meervelt, Luc; Escudero, Daniel; Van der Auweraer, Mark; Dehaen, Wim","BOPAHY: a doubly chelated highly fluorescent pyrrole-acyl hydrazone -BF<sub>2</sub> chromophore.","Chemical communications (Cambridge, England)","2020","56","43","5791","5794","10.1039/d0cc01131b","","x-ray","0.71073","MoKα","","0.0682","0.0508","","","0.1169","0.1332","","","","","","1.039","","","","has coordinates","252697","2020-10-21","18:00:00",""
"7126363","16.155","0.004","17.629","0.003","18.2","0.004","76.749","0.008","76.424","0.009","74.29","0.02","4773.6","1.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60.63 H55.12 B2 N5 -","- C60.6328 H55.1216 B2 N5 -","- C242.531 H220.486 B8 N20 -","4","2","","Prieschl, Dominic; Arrowsmith, Merle; Dietz, Maximilian; Rempel, Anna; Müller, Marcel; Braunschweig, Holger","Synthesis of polyheterocyclic 1,1-diboryltriazenes by γ-nitrogen insertion of azides into activated B-B single bonds.","Chemical communications (Cambridge, England)","2020","56","42","5681","5684","10.1039/d0cc02305a","","","0.71073","MoKα","","0.0844","0.0492","","","0.1102","0.1278","","","","","","1.016","","","","has coordinates,has disorder","252707","2020-10-21","18:00:00",""
"7126364","10.776","0.004","12.867","0.004","15.077","0.004","99.007","0.01","108.967","0.015","90.735","0.009","1948.1","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H53 B2 N5 -","- C45 H53 B2 N5 -","- C90 H106 B4 N10 -","2","1","","Prieschl, Dominic; Arrowsmith, Merle; Dietz, Maximilian; Rempel, Anna; Müller, Marcel; Braunschweig, Holger","Synthesis of polyheterocyclic 1,1-diboryltriazenes by γ-nitrogen insertion of azides into activated B-B single bonds.","Chemical communications (Cambridge, England)","2020","56","42","5681","5684","10.1039/d0cc02305a","","","0.71073","MoKα","","0.0785","0.0533","","","0.1287","0.1449","","","","","","1.016","","","","has coordinates","252707","2020-10-21","18:00:00",""
"7126365","10.5695","0.0002","15.3466","0.0003","16.2221","0.0003","65.195","0.002","87.805","0.002","72.0887","0.0019","2260.22","0.09","99.97","0.11","99.97","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C52 H58 B2 F3 N4.87 -","- C52 H58 B2 F3 N4.8662 -","- C104 H116 B4 F6 N9.7324 -","2","1","","Prieschl, Dominic; Arrowsmith, Merle; Dietz, Maximilian; Rempel, Anna; Müller, Marcel; Braunschweig, Holger","Synthesis of polyheterocyclic 1,1-diboryltriazenes by γ-nitrogen insertion of azides into activated B-B single bonds.","Chemical communications (Cambridge, England)","2020","56","42","5681","5684","10.1039/d0cc02305a","","","1.54184","CuKα","","0.0555","0.0521","","","0.1424","0.1452","","","","","","1.032","","","","has coordinates,has disorder","252707","2020-10-21","18:00:00",""
"7126366","13.097","0.005","14.799","0.007","14.975","0.005","63.842","0.016","85.29","0.02","64.034","0.018","2320","1.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H64 B2 N6 -","- C52.994 H63.994 B2 N6 -","- C105.988 H127.988 B4 N12 -","2","1","","Prieschl, Dominic; Arrowsmith, Merle; Dietz, Maximilian; Rempel, Anna; Müller, Marcel; Braunschweig, Holger","Synthesis of polyheterocyclic 1,1-diboryltriazenes by γ-nitrogen insertion of azides into activated B-B single bonds.","Chemical communications (Cambridge, England)","2020","56","42","5681","5684","10.1039/d0cc02305a","","","0.71073","MoKα","","0.0678","0.0472","","","0.1156","0.1258","","","","","","1.038","","","","has coordinates,has disorder","252707","2020-10-21","18:00:00",""
"7126367","8.538","0.002","11.12","0.003","21.468","0.006","98.92","0.01","91.29","0.016","96.808","0.012","1997.6","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H58 B2 N4 -","- C47 H58 B2 N4 -","- C94 H116 B4 N8 -","2","1","","Prieschl, Dominic; Arrowsmith, Merle; Dietz, Maximilian; Rempel, Anna; Müller, Marcel; Braunschweig, Holger","Synthesis of polyheterocyclic 1,1-diboryltriazenes by γ-nitrogen insertion of azides into activated B-B single bonds.","Chemical communications (Cambridge, England)","2020","56","42","5681","5684","10.1039/d0cc02305a","","","0.71073","MoKα","","0.0641","0.0498","","","0.1255","0.1349","","","","","","1.029","","","","has coordinates","252707","2020-10-21","18:00:00",""
"7126368","12.36","0.004","29.522","0.009","35.0152","0.001","90","","90","","90","","12777","6","123","","123","2","","","","","","","","8","F d d d :2","-F 2uv 2vw","70","","","","- C50 H60 Au6 F12 N8 O2 P2 S4 -","- C50 H60 Au6 F12 N8 O2 P2 S4 -","- C400 H480 Au48 F96 N64 O16 P16 S32 -","8","0.25","","Salorinne, Kirsi; Man, Renee W. Y.; Lummis, Paul A.; Hazer, Maryam Sabooni Asre; Malola, Sami; Yim, Jacky C.-H.; Veinot, Alex J.; Zhou, Wenxia; Häkkinen, Hannu; Nambo, Masakazu; Crudden, Cathleen M.","Synthesis and properties of an Au<sub>6</sub> cluster supported by a mixed N-heterocyclic carbene-thiolate ligand.","Chemical communications (Cambridge, England)","2020","56","45","6102","6105","10.1039/d0cc01482f","","","0.71075","MoKα","","0.0227","0.0178","","","0.0413","0.042","","","","","","0.992","","","","has coordinates,has disorder","253825","2020-10-21","18:00:00",""
"7126369","9.2685","0.0003","9.2937","0.0003","10.4915","0.0003","66.938","0.001","78.837","0.001","79.362","0.001","809.82","0.04","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H18 Au Br N2 O S -","- C14 H18 Au Br N2 O S -","- C28 H36 Au2 Br2 N4 O2 S2 -","2","1","","Salorinne, Kirsi; Man, Renee W. Y.; Lummis, Paul A.; Hazer, Maryam Sabooni Asre; Malola, Sami; Yim, Jacky C.-H.; Veinot, Alex J.; Zhou, Wenxia; Häkkinen, Hannu; Nambo, Masakazu; Crudden, Cathleen M.","Synthesis and properties of an Au<sub>6</sub> cluster supported by a mixed N-heterocyclic carbene-thiolate ligand.","Chemical communications (Cambridge, England)","2020","56","45","6102","6105","10.1039/d0cc01482f","","","0.71073","MoKα","","0.0215","0.0193","","","0.0488","0.0497","","","","","","1.107","","","","has coordinates","253825","2020-10-21","18:00:00",""
"7126370","25.557","0.009","5.612","0.002","25.398","0.009","90","","113.817","0.008","90","","3333","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 B O2 -","- C20 H23 B O2 -","- C160 H184 B8 O16 -","8","1","","Maza, Ricardo J.; Royes, Jordi; Carbó, Jorge J; Fernández, Elena","Consecutive borylcupration/C-C coupling of γ-alkenyl aldehydes towards diastereoselective 2-(borylmethyl)cycloalkanols.","Chemical communications (Cambridge, England)","2020","56","44","5973","5976","10.1039/d0cc02263b","","","0.71073","MoKα","","0.134","0.0704","","","0.1672","0.1981","","","","","","1.045","","","","has coordinates","252682","2020-10-21","18:00:00",""
"7126371","17.9052","0.0016","6.4987","0.0006","19.8249","0.0016","90","","100.138","0.003","90","","2270.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 B O3 -","- C26 H35 B O3 -","- C104 H140 B4 O12 -","4","1","","Maza, Ricardo J.; Royes, Jordi; Carbó, Jorge J; Fernández, Elena","Consecutive borylcupration/C-C coupling of γ-alkenyl aldehydes towards diastereoselective 2-(borylmethyl)cycloalkanols.","Chemical communications (Cambridge, England)","2020","56","44","5973","5976","10.1039/d0cc02263b","","","0.71073","MoKα","","0.1147","0.0663","","","0.1626","0.1886","","","","","","1.025","","","","has coordinates,has disorder","252682","2020-10-21","18:00:00",""
"7126372","20.314","0.005","24.463","0.005","28.508","0.006","90","","91.975","0.005","90","","14158","5","233","2","233","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C169 H128 Ce20 Cl16 N3 O62 -","- C169 H128 Ce20 Cl16 N3 O62 -","- C338 H256 Ce40 Cl32 N6 O124 -","2","1","","Russell-Webster, Bradley; Abboud, Khalil A.; Christou, George","Molecular nanoparticles of cerium dioxide: structure-directing effect of halide ions.","Chemical communications (Cambridge, England)","2020","56","40","5382","5385","10.1039/c9cc08419c","","","0.71073","MoKα","","0.1421","0.0582","","","0.1302","0.1711","","","","","","0.976","","","","has coordinates","252713","2020-10-21","18:00:00",""
"7126373","14.683","0.009","14.726","0.01","14.909","0.01","60.518","0.011","65.035","0.011","62.487","0.01","2408","3","253","2","253","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H38 Ce3 F0.5 N1.5 O15.5 -","- C48 H37.88 Ce3 F0.46 N1.5 O15.54 -","- C96 H75.76 Ce6 F0.92 N3 O31.08 -","2","1","","Russell-Webster, Bradley; Abboud, Khalil A.; Christou, George","Molecular nanoparticles of cerium dioxide: structure-directing effect of halide ions.","Chemical communications (Cambridge, England)","2020","56","40","5382","5385","10.1039/c9cc08419c","","","0.71073","MoKα","","0.0371","0.0299","","","0.0737","0.0788","","","","","","1.024","","","","has coordinates,has disorder","252713","2020-10-21","18:00:00",""
"7126374","6.9699","0.0003","10.2021","0.0003","14.9823","0.0008","72.265","0.004","77.347","0.004","82.211","0.004","987.37","0.08","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N3 O5 -","- C21 H23 N3 O5 -","- C42 H46 N6 O10 -","2","1","","Bashir, Muhammad Adnan; Zuo, Honghua; Lu, Xunbo; Wu, Yuzhou; Zhong, Fangrui","Harnessing structurally unbiased ortho-benzoquinone monoimine for biomimetic oxidative [4+2] cycloaddition with enamines.","Chemical communications (Cambridge, England)","2020","56","44","5965","5968","10.1039/d0cc01813a","","x-ray","1.54184","CuKα","","0.0599","0.0553","","","0.1514","0.1545","","","","","","1.055","","","","has coordinates","252674","2020-10-21","18:00:00",""
"7126375","14.2332","0.0015","16.4798","0.0017","19.285","0.002","112.704","0.002","92.701","0.003","103.281","0.003","4014.6","0.7","110","2","109.99","","","","","","","","","8","P -1","-P 1","2","","","","- C89 H70 Cl8 F6 N8 Ni4 O6 P -","- C89 H70 Cl8 F6 N8 Ni4 O6 P -","- C178 H140 Cl16 F12 N16 Ni8 O12 P2 -","2","1","","Jacob, Samuel I.; Douair, Iskander; Wu, Guang; Maron, Laurent; Ménard, Gabriel","A tetranuclear nickel cluster isolated in multiple high-valent states.","Chemical communications (Cambridge, England)","2020","56","59","8182","8185","10.1039/d0cc01699c","","","0.71073","MoKα","","0.2391","0.0905","","","0.1576","0.2162","","","","","","1.0202","","","","has coordinates","254904","2020-10-21","18:00:00",""
"7126376","13.084","0.006","15.98","0.008","22.737","0.011","107.838","0.009","105.17","0.009","95.623","0.009","4285","4","100","2","99.96","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H60 N8 Ni4 O6 -","- C82 H60 N8 Ni4 O6 -","- C164 H120 N16 Ni8 O12 -","2","1","","Jacob, Samuel I.; Douair, Iskander; Wu, Guang; Maron, Laurent; Ménard, Gabriel","A tetranuclear nickel cluster isolated in multiple high-valent states.","Chemical communications (Cambridge, England)","2020","56","59","8182","8185","10.1039/d0cc01699c","","","0.71073","MoKα","","0.1716","0.075","","","0.1598","0.2089","","","","","","0.9182","","","","has coordinates","298328","2025-03-07","16:31:39",""
"7126377","17.673","0.009","19","0.009","19.53","0.008","87.662","0.012","78.355","0.015","89.016","0.017","6417","5","110","2","110","","","","","","","","","8","P -1","-P 1","2","","","","- C71.5 H30 B Cl3 F20 N4 Ni2 O3 -","- C71.5 H30 B Cl3 F20 N4 Ni2 O3 -","- C286 H120 B4 Cl12 F80 N16 Ni8 O12 -","4","2","","Jacob, Samuel I.; Douair, Iskander; Wu, Guang; Maron, Laurent; Ménard, Gabriel","A tetranuclear nickel cluster isolated in multiple high-valent states.","Chemical communications (Cambridge, England)","2020","56","59","8182","8185","10.1039/d0cc01699c","","","0.71073","MoKα","","0.1639","0.1084","","","0.3016","0.3499","","","","","","1.0956","","","","has coordinates","254904","2020-10-21","18:00:00",""
"7126378","17.902","0.0012","28.102","0.0016","19.0679","0.0011","90","","90.382","0.004","90","","9592.5","1","99.96","","99.96","","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C184 H72 B4 Cl12 F80 N8 Ni4 O6 -","- C184 H72 B4 Cl12 F80 N8 Ni4 O6 -","- C368 H144 B8 Cl24 F160 N16 Ni8 O12 -","2","0.5","","Jacob, Samuel I.; Douair, Iskander; Wu, Guang; Maron, Laurent; Ménard, Gabriel","A tetranuclear nickel cluster isolated in multiple high-valent states.","Chemical communications (Cambridge, England)","2020","56","59","8182","8185","10.1039/d0cc01699c","","","0.71073","MoKα","","0.2041","0.1122","","","0.3049","0.405","","","","","","1.2705","","","","has coordinates","254904","2020-10-21","18:00:00",""
"7126379","10.0493","0.0006","12.6674","0.0011","14.606","0.0013","79.358","0.007","80.034","0.006","89.938","0.006","1798.9","0.3","300","0.2","300","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C80 H72 N8 O20 -","4","2","","O'Malley, Ciarán; Erxleben, Andrea; Kellehan, Seamus; McArdle, Patrick","Unprecedented morphology control of gas phase cocrystal growth using multi zone heating and tailor made additives.","Chemical communications (Cambridge, England)","2020","56","42","5657","5660","10.1039/d0cc01067g","","","0.71073","MoKα","","0.2271","0.0786","","","0.1727","0.253","","","","","","0.896","","","","has coordinates","252702","2020-10-21","18:00:00",""
"7126380","27.197","0.005","3.7093","0.0004","26.924","0.004","90","","94.626","0.016","90","","2707.3","0.7","149.9","0.3","149.9","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H44 F8 N4 O14 -","- C64 H44 F8 N4 O14 -","- C128 H88 F16 N8 O28 -","2","0.5","","O'Malley, Ciarán; Erxleben, Andrea; Kellehan, Seamus; McArdle, Patrick","Unprecedented morphology control of gas phase cocrystal growth using multi zone heating and tailor made additives.","Chemical communications (Cambridge, England)","2020","56","42","5657","5660","10.1039/d0cc01067g","","","0.71073","MoKα","","0.2978","0.1678","","","0.3146","0.3715","","","","","","1.075","","","","has coordinates,has disorder","252702","2020-10-21","18:00:00",""
"7126381","3.8999","0.0002","34.7661","0.0018","11.4896","0.0007","90","","94.404","0.005","90","","1553.21","0.15","299","0.1","299","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 F2 N O3 -","- C19 H13 F2 N O3 -","- C76 H52 F8 N4 O12 -","4","1","","O'Malley, Ciarán; Erxleben, Andrea; Kellehan, Seamus; McArdle, Patrick","Unprecedented morphology control of gas phase cocrystal growth using multi zone heating and tailor made additives.","Chemical communications (Cambridge, England)","2020","56","42","5657","5660","10.1039/d0cc01067g","","","0.71073","MoKα","","0.0769","0.0509","","","0.112","0.1293","","","","","","1.047","","","","has coordinates,has disorder","252702","2020-10-21","18:00:00",""
"7126382","3.7762","0.0004","29.2094","0.0016","13.5261","0.0009","90","","96.309","0.007","90","","1482.9","0.2","299","0.1","299","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 F4 N2 O6 -","- C36 H24 F4 N2 O6 -","- C72 H48 F8 N4 O12 -","2","0.5","","O'Malley, Ciarán; Erxleben, Andrea; Kellehan, Seamus; McArdle, Patrick","Unprecedented morphology control of gas phase cocrystal growth using multi zone heating and tailor made additives.","Chemical communications (Cambridge, England)","2020","56","42","5657","5660","10.1039/d0cc01067g","","","0.71073","MoKα","","0.1097","0.0521","","","0.0957","0.1175","","","","","","0.998","","","","has coordinates,has disorder","252702","2020-10-21","18:00:00",""
"7126383","13.8684","0.0003","30.4814","0.0007","16.1283","0.0005","90","","97.72","0.003","90","","6756.1","0.3","100","0.5","100","0.5","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[Dy(Cp*)2(Et3NAlMe3)][Al(OC(CF3)3)4]","","- C108 H123 Al4 Cl3 Dy2 F72 N2 O8 -","- C108 H123 Al4 Cl3 Dy2 F72 N2 O8 -","- C216 H246 Al8 Cl6 Dy4 F144 N4 O16 -","2","0.5","","Evans, Peter; Reta, Daniel; Goodwin, Conrad A. P.; Ortu, Fabrizio; Chilton, Nicholas F.; Mills, David P.","A double-dysprosocenium single-molecule magnet bound together with neutral ligands.","Chemical communications (Cambridge, England)","2020","56","42","5677","5680","10.1039/c9cc08945d","","x-ray","1.54184","CuKα","","0.085","0.072","","","0.205","0.2188","","","","","","1.141","","","","has coordinates,has disorder","252703","2020-10-21","18:00:00",""
"7126384","9.253","0.0013","15.4572","0.0012","18.3771","0.0016","90","","94.016","0.01","90","","2621.9","0.5","150","0.3","150","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Y(Cp*)2(Me)2Li(THF)]","","- C26 H44 Li O Y -","- C26 H44 Li O Y -","- C104 H176 Li4 O4 Y4 -","4","1","","Evans, Peter; Reta, Daniel; Goodwin, Conrad A. P.; Ortu, Fabrizio; Chilton, Nicholas F.; Mills, David P.","A double-dysprosocenium single-molecule magnet bound together with neutral ligands.","Chemical communications (Cambridge, England)","2020","56","42","5677","5680","10.1039/c9cc08945d","","x-ray","0.71073","MoKα","","0.176","0.0954","","","0.1757","0.2121","","","","","","1.074","","","","has coordinates,has disorder","252703","2020-10-21","18:00:00",""
"7126385","14.14639","0.00009","30.4739","0.0002","16.04187","0.0001","90","","98.2178","0.0006","90","","6844.57","0.08","150.01","0.1","150.01","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","[Dy@Y(Cp*)2(Me3AlNEt3)]2[Al{OC(CF3)3}4]2(C6H5Cl)3","","- C108 H123 Al4 Cl3 Dy0.2 F72 N2 O8 Y1.8 -","- C108 H123 Al4 Cl3 Dy0.2 F72 N2 O8 Y1.8 -","- C216 H246 Al8 Cl6 Dy0.4 F144 N4 O16 Y3.6 -","2","0.5","","Evans, Peter; Reta, Daniel; Goodwin, Conrad A. P.; Ortu, Fabrizio; Chilton, Nicholas F.; Mills, David P.","A double-dysprosocenium single-molecule magnet bound together with neutral ligands.","Chemical communications (Cambridge, England)","2020","56","42","5677","5680","10.1039/c9cc08945d","","x-ray","1.54184","CuKα","","0.0465","0.0419","","","0.1161","0.1198","","","","","","1.041","","","","has coordinates,has disorder","252703","2020-10-21","18:00:00",""
"7126386","14.1215","0.0002","30.3026","0.0003","16.0232","0.0002","90","","98.421","0.001","90","","6782.7","0.15","100.02","0.1","100.02","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[Y(Cp*)2(Me3AlNEt3)]2[Al{OC(CF3)3}4]2(C6H5Cl)3","","- C108 H123 Al4 Cl3 F72 N2 O8 Y2 -","- C108 H123 Al4 Cl3 F72 N2 O8 Y2 -","- C216 H246 Al8 Cl6 F144 N4 O16 Y4 -","2","0.5","","Evans, Peter; Reta, Daniel; Goodwin, Conrad A. P.; Ortu, Fabrizio; Chilton, Nicholas F.; Mills, David P.","A double-dysprosocenium single-molecule magnet bound together with neutral ligands.","Chemical communications (Cambridge, England)","2020","56","42","5677","5680","10.1039/c9cc08945d","","x-ray","1.54184","CuKα","","0.0861","0.0716","","","0.2097","0.227","","","","","","1.033","","","","has coordinates,has disorder","252703","2020-10-21","18:00:00",""
"7126387","11.2354","0.0003","12.454","0.0003","14.8193","0.0002","103.894","0.0017","100.299","0.0017","111.86","0.002","1783.5","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C76 H116 Al2 Y2 -","- C76 H116 Al2 Y2 -","- C76 H116 Al2 Y2 -","1","0.5","","Evans, Peter; Reta, Daniel; Goodwin, Conrad A. P.; Ortu, Fabrizio; Chilton, Nicholas F.; Mills, David P.","A double-dysprosocenium single-molecule magnet bound together with neutral ligands.","Chemical communications (Cambridge, England)","2020","56","42","5677","5680","10.1039/c9cc08945d","","x-ray","1.54184","CuKα","","0.0449","0.0443","","","0.1277","0.128","","","","","","1.155","","","","has coordinates,has disorder","252703","2020-10-21","18:00:00",""
"7126388","11.1938","0.0003","12.4457","0.0007","14.8073","0.0005","104.043","0.004","100.205","0.003","111.785","0.004","1774.66","0.15","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C76 H116 Al2 Dy2 -","- C76 H116 Al2 Dy2 -","- C76 H116 Al2 Dy2 -","1","0.5","","Evans, Peter; Reta, Daniel; Goodwin, Conrad A. P.; Ortu, Fabrizio; Chilton, Nicholas F.; Mills, David P.","A double-dysprosocenium single-molecule magnet bound together with neutral ligands.","Chemical communications (Cambridge, England)","2020","56","42","5677","5680","10.1039/c9cc08945d","","x-ray","0.71073","MoKα","","0.1235","0.0941","","","0.2336","0.2574","","","","","","1.0363","","","","has coordinates","252703","2020-10-21","18:00:00",""
"7126389","15.5064","0.0011","21.8874","0.0016","31.229","0.002","90","","101.817","0.001","90","","10374.3","1.2","200","2","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C101 H104 Al B Dy2 F36 O4 -","- C101 H104 Al B Dy2 F36 O4 -","- C404 H416 Al4 B4 Dy8 F144 O16 -","4","1","","Errulat, Dylan; Gabidullin, Bulat; Mansikkamäki, Akseli; Murugesu, Muralee","Two heads are better than one: improving magnetic relaxation in the dysprosium metallocene upon dimerization by use of an exceptionally weakly-coordinating anion.","Chemical communications (Cambridge, England)","2020","56","44","5937","5940","10.1039/d0cc01980a","","","0.71073","MoKα","","0.0607","0.0395","","","0.0923","0.108","","","","","","1.11","","","","has coordinates,has disorder","252678","2020-10-21","18:00:00",""
"7126390","15.04","0.006","13.437","0.005","16.768","0.007","90","","111.168","0.006","90","","3160","2","123.15","","123.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H31 B Cl F8 N2 P S2 -","- C27 H30 B F8 N2 P S2 -","- C108 H120 B4 F32 N8 P4 S8 -","4","1","","Adachi, Yohei; Arai, Fuka; Jäkle, Frieder","Extended conjugated borenium dimers via late stage functionalization of air-stable borepinium ions.","Chemical communications (Cambridge, England)","2020","56","38","5119","5122","10.1039/d0cc02514c","","","0.71075","MoKα","","0.0961","0.0719","","","0.2067","0.2323","","","","","","1.117","","","","has coordinates","252720","2020-10-21","18:00:00",""
"7126391","11.906","0.005","21.361","0.009","13.77","0.006","90","","105.875","0.006","90","","3368","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C160 H160 N16 O24 -","8","1","","Babu, Kaki Raveendra; Han, Wendan; Chen, Jian-Bo; Li, Yang; Tang, Yuhai; Zhang, Wenquan; Xu, Wenbo; Xu, Silong","A three-component reaction of phosphorus ylides with isocyanates: facile synthesis of 2-amino-3-carboxylate-4-quinolones.","Chemical communications (Cambridge, England)","2020","56","44","5909","5912","10.1039/d0cc01401j","","","0.71073","MoKα","","0.1003","0.0543","","","0.1323","0.1431","","","","","","1.042","","","","has coordinates","252680","2020-10-21","18:00:00",""
"7126392","8.842","0.0013","13.473","0.002","14.699","0.002","83.102","0.002","79.47","0.002","89.425","0.002","1709","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","2","","Babu, Kaki Raveendra; Han, Wendan; Chen, Jian-Bo; Li, Yang; Tang, Yuhai; Zhang, Wenquan; Xu, Wenbo; Xu, Silong","A three-component reaction of phosphorus ylides with isocyanates: facile synthesis of 2-amino-3-carboxylate-4-quinolones.","Chemical communications (Cambridge, England)","2020","56","44","5909","5912","10.1039/d0cc01401j","","","0.71073","MoKα","","0.0824","0.0504","","","0.125","0.1424","","","","","","1.025","","","","has coordinates","252680","2020-10-21","18:00:00",""
"7126393","33.89","0.02","9.68","0.007","18.339","0.013","90","","115.521","0.009","90","","5429","6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C63 H60 N2 O8 P2 -","- C63 H60 N2 O8 P2 -","- C252 H240 N8 O32 P8 -","4","0.5","","Babu, Kaki Raveendra; Han, Wendan; Chen, Jian-Bo; Li, Yang; Tang, Yuhai; Zhang, Wenquan; Xu, Wenbo; Xu, Silong","A three-component reaction of phosphorus ylides with isocyanates: facile synthesis of 2-amino-3-carboxylate-4-quinolones.","Chemical communications (Cambridge, England)","2020","56","44","5909","5912","10.1039/d0cc01401j","","","0.71073","MoKα","","0.1032","0.0658","","","0.1887","0.221","","","","","","1.024","","","","has coordinates","252680","2020-10-21","18:00:00",""
"7126394","15.037","0.007","5.654","0.003","16.695","0.008","90","","116.037","0.005","90","","1275.3","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O2 S -","- C13 H15 N O2 S -","- C52 H60 N4 O8 S4 -","4","1","","Babu, Kaki Raveendra; Han, Wendan; Chen, Jian-Bo; Li, Yang; Tang, Yuhai; Zhang, Wenquan; Xu, Wenbo; Xu, Silong","A three-component reaction of phosphorus ylides with isocyanates: facile synthesis of 2-amino-3-carboxylate-4-quinolones.","Chemical communications (Cambridge, England)","2020","56","44","5909","5912","10.1039/d0cc01401j","","","0.71073","MoKα","","0.0505","0.0385","","","0.1035","0.1124","","","","","","1.012","","","","has coordinates","252680","2020-10-21","18:00:00",""
"7126395","22.4595","0.0004","12.1952","0.0002","24.7641","0.0004","90","","102.513","0.001","90","","6621.73","0.19","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C66 H82 B Br Mo N6 O5 P2 Pt -","- C66 H82 B Br Mo N6 O5 P2 Pt -","- C264 H328 B4 Br4 Mo4 N24 O20 P8 Pt4 -","4","1","","Burt, Liam K.; Cordiner, Richard L.; Hill, Anthony F.; Manzano, Richard A.; Wagler, Jörg","The significance of phosphoniocarbynes in halocarbyne cross-coupling reactions.","Chemical communications (Cambridge, England)","2020","56","42","5673","5676","10.1039/d0cc02070b","","","0.71073","MoKα","","0.0518","0.0334","","","0.0726","0.0771","","","","","","1.047","","","","has coordinates,has disorder","252701","2020-10-21","18:00:00",""
"7126396","11.3977","0.0001","30.1539","0.0004","13.2985","0.0001","90","","109.428","0.001","90","","4310.25","0.08","100","2","100","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C76 H82 B2 Br2 Cl8 Mo2 N12 O4 P2 Pd2 -","- C76 H82 B2 Br2 Cl8 Mo2 N12 O4 P2 Pd2 -","- C152 H164 B4 Br4 Cl16 Mo4 N24 O8 P4 Pd4 -","2","0.5","","Burt, Liam K.; Cordiner, Richard L.; Hill, Anthony F.; Manzano, Richard A.; Wagler, Jörg","The significance of phosphoniocarbynes in halocarbyne cross-coupling reactions.","Chemical communications (Cambridge, England)","2020","56","42","5673","5676","10.1039/d0cc02070b","","","0.71073","MoKα","","0.0483","0.0435","","","0.1083","0.1105","","","","","","1.074","","","","has coordinates,has disorder","252701","2020-10-21","18:00:00",""
"7126397","9.5923","0.0001","22.6404","0.0004","23.4154","0.0003","90","","98.636","0.001","90","","5027.55","0.12","150","0.1","150","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 B Br N6 O2 P2 Pt W -","- C54 H52 B Br N6 O2 P2 Pt W -","- C216 H208 B4 Br4 N24 O8 P8 Pt4 W4 -","4","1","","Burt, Liam K.; Cordiner, Richard L.; Hill, Anthony F.; Manzano, Richard A.; Wagler, Jörg","The significance of phosphoniocarbynes in halocarbyne cross-coupling reactions.","Chemical communications (Cambridge, England)","2020","56","42","5673","5676","10.1039/d0cc02070b","","x-ray","1.54184","CuKα","","0.0452","0.0371","","","0.0925","0.0979","","","","","","1.032","","","","has coordinates","252701","2020-10-21","18:00:00",""
"7126398","42.971","0.003","10.446","0.0005","20.5602","0.001","90","","94.607","0.006","90","","9199.1","0.9","150","0.1","150","0.1","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C44 H46 B Br Mo N6 O2 P2 Pd -","- C44 H46 B Br Mo N6 O2 P2 Pd -","- C352 H368 B8 Br8 Mo8 N48 O16 P16 Pd8 -","8","1","","Burt, Liam K.; Cordiner, Richard L.; Hill, Anthony F.; Manzano, Richard A.; Wagler, Jörg","The significance of phosphoniocarbynes in halocarbyne cross-coupling reactions.","Chemical communications (Cambridge, England)","2020","56","42","5673","5676","10.1039/d0cc02070b","","x-ray","1.54184","CuKα","","0.162","0.096","","","0.2556","0.3206","","","","","","1.004","","","","has coordinates","252701","2020-10-21","18:00:00",""
"7126399","27.0575","0.0004","11.7128","0.0002","29.6534","0.0003","90","","104.965","0.001","90","","9079","0.2","150.01","0.1","150.01","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C82 H92 B2 Br2 Mo2 N12 O7 P2 Pd2 -","- C72 H74 B2 Br2 Mo2 N12 O4 P2 Pd2 -","- C288 H296 B8 Br8 Mo8 N48 O16 P8 Pd8 -","4","1","","Burt, Liam K.; Cordiner, Richard L.; Hill, Anthony F.; Manzano, Richard A.; Wagler, Jörg","The significance of phosphoniocarbynes in halocarbyne cross-coupling reactions.","Chemical communications (Cambridge, England)","2020","56","42","5673","5676","10.1039/d0cc02070b","","x-ray","1.54184","CuKα","","0.0707","0.0565","","","0.1312","0.1374","","","","","","1.049","","","","has coordinates","252701","2020-10-21","18:00:00",""
"7126400","26.9732","0.0005","11.6694","0.0002","29.657","0.0005","90","","105.134","0.001","90","","9011.1","0.3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C82 H99 B2 Br2 Mo2 N12 O6.5 P2 Pt2 -","- C82 H99 B2 Br2 Mo2 N12 O6.5 P2 Pt2 -","- C328 H396 B8 Br8 Mo8 N48 O26 P8 Pt8 -","4","1","","Burt, Liam K.; Cordiner, Richard L.; Hill, Anthony F.; Manzano, Richard A.; Wagler, Jörg","The significance of phosphoniocarbynes in halocarbyne cross-coupling reactions.","Chemical communications (Cambridge, England)","2020","56","42","5673","5676","10.1039/d0cc02070b","","","0.71073","MoKα","","0.0644","0.0458","","","0.1031","0.1082","","","","","","1.075","","","","has coordinates,has disorder","252701","2020-10-21","18:00:00",""
"7126401","11.41","0.0004","13.4275","0.0005","17.2454","0.0005","85.274","0.003","87.055","0.002","70.772","0.003","2485.43","0.15","150","0.1","150","0.1","","","","","","","","10","P -1","-P 1","2","","","","- C39 H40 B Br Cl9 N6 O2 P Pd W -","- C39 H40 B Br Cl9 N6 O2 P Pd W -","- C78 H80 B2 Br2 Cl18 N12 O4 P2 Pd2 W2 -","2","1","","Burt, Liam K.; Cordiner, Richard L.; Hill, Anthony F.; Manzano, Richard A.; Wagler, Jörg","The significance of phosphoniocarbynes in halocarbyne cross-coupling reactions.","Chemical communications (Cambridge, England)","2020","56","42","5673","5676","10.1039/d0cc02070b","","x-ray","0.71073","MoKα","","0.05","0.0398","","","0.0842","0.0892","","","","","","1.047","","","","has coordinates","252701","2020-10-21","18:00:00",""
"7126402","21.7995","0.0004","12.8236","0.0002","22.874","0.0004","90","","111.409","0.002","90","","5953.2","0.2","150","0.1","150","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 B Br N6 O2 P2 Pd W -","- C54 H52 B Br N6 O2 P2 Pd W -","- C216 H208 B4 Br4 N24 O8 P8 Pd4 W4 -","4","1","","Burt, Liam K.; Cordiner, Richard L.; Hill, Anthony F.; Manzano, Richard A.; Wagler, Jörg","The significance of phosphoniocarbynes in halocarbyne cross-coupling reactions.","Chemical communications (Cambridge, England)","2020","56","42","5673","5676","10.1039/d0cc02070b","","x-ray","1.54184","CuKα","","0.0617","0.0505","","","0.1278","0.1347","","","","","","1.052","","","","has coordinates","252701","2020-10-21","18:00:00",""
"7126403","10.797","0.0012","16.6498","0.0018","24.697","0.003","90","","95.768","0.004","90","","4417.2","0.9","301","2","301.47","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 Au N3 -","- C48 H58 Au N3 -","- C192 H232 Au4 N12 -","4","1","","Wang, Jiwei; Zhan, Licheng; Wang, Gendi; Wei, Yin; Shi, Min; Zhang, Jun","Pd-Promoted cross coupling of iodobenzene with vinylgold via an unprecedented phenyl transmetalation from Pd to Au.","Chemical communications (Cambridge, England)","2020","56","46","6213","6216","10.1039/d0cc02645j","","","0.71073","MoKα","","0.1095","0.0555","","","0.0938","0.1146","","","","","","1.045","","","","has coordinates","253790","2020-10-21","18:00:00",""
"7126404","18.2744","0.0015","10.4465","0.0007","17.007","0.0012","90","","90","","90","","3246.7","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H34 Cl2 I N -","- C34 H34 Cl2 I N -","- C136 H136 Cl8 I4 N4 -","4","1","","Wang, Jiwei; Zhan, Licheng; Wang, Gendi; Wei, Yin; Shi, Min; Zhang, Jun","Pd-Promoted cross coupling of iodobenzene with vinylgold via an unprecedented phenyl transmetalation from Pd to Au.","Chemical communications (Cambridge, England)","2020","56","46","6213","6216","10.1039/d0cc02645j","","","0.71073","MoKα","","0.0545","0.034","","","0.0655","0.0758","","","","","","1.05","","","","has coordinates","253790","2020-10-21","18:00:00",""
"7126405","8.822","0.002","20.173","0.005","21.011","0.006","90","","93.993","0.011","90","","3730.2","1.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H45 Cl3 N2 Pd -","- C41 H45 Cl3 N2 Pd -","- C164 H180 Cl12 N8 Pd4 -","4","1","","Wang, Jiwei; Zhan, Licheng; Wang, Gendi; Wei, Yin; Shi, Min; Zhang, Jun","Pd-Promoted cross coupling of iodobenzene with vinylgold via an unprecedented phenyl transmetalation from Pd to Au.","Chemical communications (Cambridge, England)","2020","56","46","6213","6216","10.1039/d0cc02645j","","","0.71073","MoKα","","0.0968","0.0746","","","0.1728","0.1921","","","","","","1.033","","","","has coordinates","253790","2020-10-21","18:00:00",""
"7126406","15.3922","0.0002","14.4465","0.0002","16.7191","0.0002","90","","115.716","0.001","90","","3349.5","0.08","170","2","170","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C63 H78 Au B2 F8 N5 Pd -","- C63 H78 Au B2 F8 N5 Pd -","- C126 H156 Au2 B4 F16 N10 Pd2 -","2","0.5","","Wang, Jiwei; Zhan, Licheng; Wang, Gendi; Wei, Yin; Shi, Min; Zhang, Jun","Pd-Promoted cross coupling of iodobenzene with vinylgold via an unprecedented phenyl transmetalation from Pd to Au.","Chemical communications (Cambridge, England)","2020","56","46","6213","6216","10.1039/d0cc02645j","","","1.34139","GaKα","","0.0442","0.039","","","0.0901","0.0929","","","","","","1.059","","","","has coordinates,has disorder","253790","2020-10-21","18:00:00",""
"7126407","14.4529","0.0003","13.4595","0.0003","21.5529","0.0006","90","","93.956","0.001","90","","4182.67","0.17","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 Au F3 N O3 P S -","- C46 H42 Au F3 N O3 P S -","- C184 H168 Au4 F12 N4 O12 P4 S4 -","4","1","","Wang, Jiwei; Zhan, Licheng; Wang, Gendi; Wei, Yin; Shi, Min; Zhang, Jun","Pd-Promoted cross coupling of iodobenzene with vinylgold via an unprecedented phenyl transmetalation from Pd to Au.","Chemical communications (Cambridge, England)","2020","56","46","6213","6216","10.1039/d0cc02645j","","","0.71073","MoKα","","0.0373","0.0271","","","0.0551","0.0593","","","","","","1.028","","","","has coordinates,has disorder","253790","2020-10-21","18:00:00",""
"7126408","13.9859","0.0004","14.735","0.0004","15.1208","0.0003","84.537","0.001","82.442","0.001","89.562","0.001","3074.99","0.14","193","2","193","2","","","","","","","","10","P -1","-P 1","2","","","","- C59 H70 Au Cl2 F3 N O5 P3 Pd S -","- C59 H70 Au Cl2 F3 N O5 P3 Pd S -","- C118 H140 Au2 Cl4 F6 N2 O10 P6 Pd2 S2 -","2","1","","Wang, Jiwei; Zhan, Licheng; Wang, Gendi; Wei, Yin; Shi, Min; Zhang, Jun","Pd-Promoted cross coupling of iodobenzene with vinylgold via an unprecedented phenyl transmetalation from Pd to Au.","Chemical communications (Cambridge, England)","2020","56","46","6213","6216","10.1039/d0cc02645j","","","0.71073","MoKα","","0.0228","0.0209","","","0.0495","0.0507","","","","","","1.023","","","","has coordinates","253790","2020-10-21","18:00:00",""
"7126409","11.453","0.0015","11.453","0.0015","22.637","0.003","90","","90","","120","","2571.5","0.6","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H28 Br12 Cu6 N4 Pb -","- C12 H28 Br12 Cu6 N4 Pb -","- C36 H84 Br36 Cu18 N12 Pb3 -","3","0.166667","","Jing, Chang-Qing; Wu, Jia-Hang; Cao, Yao-Yao; Che, Hang-Xin; Zhao, Xian-Mei; Yue, Meng; Liao, Yuan-Yuan; Yue, Cheng-Yang; Lei, Xiao-Wu","A three-dimensional cuprous lead bromide framework with highly efficient and stable thermochromic luminescence properties.","Chemical communications (Cambridge, England)","2020","56","44","5925","5928","10.1039/d0cc01779e","","","0.71073","MoKα","","0.0305","0.026","","","0.0616","0.063","","","","","","1.101","","","","has coordinates","252684","2020-10-21","18:00:00",""
"7126410","16.722","0.004","7.3514","0.0016","20.934","0.004","90","","102.85","0.02","90","","2509","1","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C104 H112 N16 O16 -","8","1","","Wang, Ya; Zhou, Yao; Song, Qiuling","[3+1+1] type cyclization of ClCF<sub>2</sub>COONa for the assembly of imidazoles and tetrazoles via in situ generated isocyanides.","Chemical communications (Cambridge, England)","2020","56","45","6106","6109","10.1039/d0cc01919d","","x-ray","0.71073","MoKα","","0.0698","0.0487","","","0.1396","0.1543","","","","","","1.004","","","","has coordinates","253823","2020-10-21","18:00:00",""
"7126411","9.7747","0.0009","5.6834","0.0005","14.3307","0.0013","90","","96.261","0.009","90","","791.37","0.12","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N4 -","- C8 H8 N4 -","- C32 H32 N16 -","4","1","","Wang, Ya; Zhou, Yao; Song, Qiuling","[3+1+1] type cyclization of ClCF<sub>2</sub>COONa for the assembly of imidazoles and tetrazoles via in situ generated isocyanides.","Chemical communications (Cambridge, England)","2020","56","45","6106","6109","10.1039/d0cc01919d","","x-ray","0.71073","MoKα","","0.0774","0.0483","","","0.1295","0.1511","","","","","","1.037","","","","has coordinates","253823","2020-10-21","18:00:00",""
"7126412","8.1279","0.0014","8.6652","0.0015","18.746","0.002","90","","96.939","0.014","90","","1310.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Wang, Ya; Zhou, Yao; Song, Qiuling","[3+1+1] type cyclization of ClCF<sub>2</sub>COONa for the assembly of imidazoles and tetrazoles via in situ generated isocyanides.","Chemical communications (Cambridge, England)","2020","56","45","6106","6109","10.1039/d0cc01919d","","x-ray","0.71073","MoKα","","0.1216","0.0743","","","0.1881","0.218","","","","","","1.112","","","","has coordinates","253823","2020-10-21","18:00:00",""
"7126413","11.7669","0.001","12.1939","0.001","15.1362","0.0012","102.506","0.002","97.611","0.002","102.676","0.002","2031.3","0.3","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C53 H46 N4 -","- C53 H46 N4 -","- C106 H92 N8 -","2","1","","Li, Kuofei; Zhu, Yunhui; Yao, Bing; Chen, Yuannan; Deng, Hao; Zhang, Qisheng; Zhan, Hongmei; Xie, Zhiyuan; Cheng, Yanxiang","Rotation-restricted thermally activated delayed fluorescence compounds for efficient solution-processed OLEDs with EQEs of up to 24.3% and small roll-off.","Chemical communications (Cambridge, England)","2020","56","44","5957","5960","10.1039/d0cc01738h","","","0.71073","MoKα","","0.1327","0.0758","","","0.1994","0.2624","","","","","","1.012","","","","has coordinates,has disorder","252673","2020-10-21","18:00:00",""
"7126414","18.369","0.003","16.572","0.002","20.32","0.003","90","","99.726","0.003","90","","6096.7","1.5","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C77 H64 N6 -","- C77 H64 N6 -","- C308 H256 N24 -","4","1","","Li, Kuofei; Zhu, Yunhui; Yao, Bing; Chen, Yuannan; Deng, Hao; Zhang, Qisheng; Zhan, Hongmei; Xie, Zhiyuan; Cheng, Yanxiang","Rotation-restricted thermally activated delayed fluorescence compounds for efficient solution-processed OLEDs with EQEs of up to 24.3% and small roll-off.","Chemical communications (Cambridge, England)","2020","56","44","5957","5960","10.1039/d0cc01738h","","","0.71073","MoKα","","0.231","0.0627","","","0.0851","0.122","","","","","","0.824","","","","has coordinates","252673","2020-10-21","18:00:00",""
"7126415","12.351","0.002","18.25","0.003","19.587","0.004","101.343","0.004","93.315","0.004","108.024","0.004","4082.9","1.3","188","2","188","2","","","","","","","","3","P -1","-P 1","2","","","","- C93 H96 N6 -","- C93 H96 N6 -","- C186 H192 N12 -","2","1","","Li, Kuofei; Zhu, Yunhui; Yao, Bing; Chen, Yuannan; Deng, Hao; Zhang, Qisheng; Zhan, Hongmei; Xie, Zhiyuan; Cheng, Yanxiang","Rotation-restricted thermally activated delayed fluorescence compounds for efficient solution-processed OLEDs with EQEs of up to 24.3% and small roll-off.","Chemical communications (Cambridge, England)","2020","56","44","5957","5960","10.1039/d0cc01738h","","","0.71073","MoKα","","0.1887","0.0773","","","0.1865","0.2452","","","","","","1.013","","","","has coordinates,has disorder","252673","2020-10-21","18:00:00",""
"7126416","12.652","0.004","18.915","0.004","21.672","0.005","90","","105.25","0.02","90","","5004","2","299","2","299","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C94 H58 N8 O24 Zn3 -","- C94 H58 N8 O24 Zn3 -","- C188 H116 N16 O48 Zn6 -","2","1","","Li, Peng; Sui, Qi; Guo, Meng-Yue; Yang, Shuai-Liang; Bu, Ran; Gao, En-Qing","Selective chemochromic and chemically-induced photochromic response of a metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","44","5929","5932","10.1039/d0cc01627f","","","1.54178","CuKα","","0.0762","0.061","","","0.1682","0.1849","","","","","","0.995","","","","has coordinates,has disorder","252677","2020-10-21","18:00:00",""
"7126417","11.5787","0.0004","16.5844","0.0005","17.9315","0.0006","90","","90","","90","","3443.3","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C144 H160 N16 O32 -","8","2","","Velázquez, Marta; Alberca, Saúl; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M; Monge, David","Catalytic enantioselective synthesis of α-aryl α-hydrazino esters and amides.","Chemical communications (Cambridge, England)","2020","56","43","5823","5826","10.1039/d0cc02478c","","","1.54178","CuKα","","0.0255","0.0254","","","0.0738","0.0741","","","","","","0.626","","","","has coordinates","252698","2020-10-21","18:00:00",""
"7126418","12.8037","0.0004","17.1488","0.0005","15.3764","0.0004","90","","104.478","0.003","90","","3268.95","0.17","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 Cl6 N2 Pd -","- C28 H38 Cl6 N2 Pd -","- C112 H152 Cl24 N8 Pd4 -","4","1","","Guillet, Sébastien G; Voloshkin, Vladislav A.; Saab, Marina; Beliš, Marek; Van Hecke, Kristof; Nahra, Fady; Nolan, Steven P.","Understanding existing and designing novel synthetic routes to Pd-PEPPSI-NHC and Pd-PEPPSI-PR<sub>3</sub> pre-catalysts.","Chemical communications (Cambridge, England)","2020","56","44","5953","5956","10.1039/d0cc02262d","","x-ray","1.54184","CuKα","","0.0746","0.0559","","","0.1446","0.1635","","","","","","1.03","","","","has coordinates","252683","2020-10-21","18:00:00",""
"7126419","8.8655","0.0002","10.7674","0.0002","22.2732","0.0004","90","","93.155","0.002","90","","2122.94","0.07","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","VL134","","- C23 H20 Cl2 N P Pd -","- C23 H20 Cl2 N P Pd -","- C92 H80 Cl8 N4 P4 Pd4 -","4","1","","Guillet, Sébastien G; Voloshkin, Vladislav A.; Saab, Marina; Beliš, Marek; Van Hecke, Kristof; Nahra, Fady; Nolan, Steven P.","Understanding existing and designing novel synthetic routes to Pd-PEPPSI-NHC and Pd-PEPPSI-PR<sub>3</sub> pre-catalysts.","Chemical communications (Cambridge, England)","2020","56","44","5953","5956","10.1039/d0cc02262d","","x-ray","0.71073","MoKα","","0.0419","0.0293","","","0.0557","0.061","","","","","","1.04","","","","has coordinates","252683","2020-10-21","18:00:00",""
"7126420","26.6806","0.0001","15.682","0.0001","11.6312","0.0001","90","","90","","90","","4866.55","0.06","100","0.1","100","0.1","","","","","","","","5","P c c 2","P 2 -2c","27","","","","- C20.5 H29.5 Cl3.5 N3 Pd -","- C20.5 H29.5 Cl3.5 N3 Pd -","- C164 H236 Cl28 N24 Pd8 -","8","2","","Guillet, Sébastien G; Voloshkin, Vladislav A.; Saab, Marina; Beliš, Marek; Van Hecke, Kristof; Nahra, Fady; Nolan, Steven P.","Understanding existing and designing novel synthetic routes to Pd-PEPPSI-NHC and Pd-PEPPSI-PR<sub>3</sub> pre-catalysts.","Chemical communications (Cambridge, England)","2020","56","44","5953","5956","10.1039/d0cc02262d","","x-ray","1.54184","CuKα","","0.0231","0.0216","","","0.0536","0.0544","","","","","","1.027","","","","has coordinates","295862","2024-11-09","12:08:11",""
"7126421","7.1411","0.0005","7.8726","0.0005","10.6572","0.0006","102.1","0.004","92.658","0.004","101.463","0.004","571.71","0.06","120","2","119.99","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C28 H26 N2 O8 -","2","1","","Fueyo-González, Francisco; Garcia-Fernandez, Emilio; Martínez, David; Infantes, Lourdes; Orte, Angel; González-Vera, Juan A; Herranz, Rosario","Smart lanthanide antennas for sensing water.","Chemical communications (Cambridge, England)","2020","56","41","5484","5487","10.1039/d0cc01725f","","","1.54178","CuKα","","0.0549","0.0389","","","0.095","0.1003","","","","","","1.02","","","","has coordinates","252693","2020-10-21","18:00:00",""
"7126422","13.804","0.004","13.802","0.005","16.169","0.003","90","","90.79","0.06","90","","3080.3","1.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N O5 P -","- C16 H20 N O5 P -","- C128 H160 N8 O40 P8 -","8","2","","Fueyo-González, Francisco; Garcia-Fernandez, Emilio; Martínez, David; Infantes, Lourdes; Orte, Angel; González-Vera, Juan A; Herranz, Rosario","Smart lanthanide antennas for sensing water.","Chemical communications (Cambridge, England)","2020","56","41","5484","5487","10.1039/d0cc01725f","","","0.82653","synchrotron","","0.0943","0.0876","","","0.2328","0.2403","","","","","","1.063","","","","has coordinates,has disorder","252693","2020-10-21","18:00:00",""
"7126423","27.777","0.008","14.271","0.0013","26.502","0.0019","90","","115.444","0.005","90","","9487","3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C32 H31 Cl3 Eu F9 N2 O21 S3 -","- C32 H31 Cl3 Eu F9 N2 O21 S3 -","- C256 H248 Cl24 Eu8 F72 N16 O168 S24 -","8","1","","Fueyo-González, Francisco; Garcia-Fernandez, Emilio; Martínez, David; Infantes, Lourdes; Orte, Angel; González-Vera, Juan A; Herranz, Rosario","Smart lanthanide antennas for sensing water.","Chemical communications (Cambridge, England)","2020","56","41","5484","5487","10.1039/d0cc01725f","","","0.79473","","","0.1879","0.1521","","","0.3876","0.4581","","","","","","1.781","","","","has coordinates","252693","2020-10-21","18:00:00",""
"7126424","15.919","0.006","13.486","0.009","24.95","0.006","90","","105.115","0.005","90","","5171","4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H50 Eu F9 N2 O24 P2 S3 -","- C35 H50 Eu F9 N2 O24 P2 S3 -","- C140 H200 Eu4 F36 N8 O96 P8 S12 -","4","1","","Fueyo-González, Francisco; Garcia-Fernandez, Emilio; Martínez, David; Infantes, Lourdes; Orte, Angel; González-Vera, Juan A; Herranz, Rosario","Smart lanthanide antennas for sensing water.","Chemical communications (Cambridge, England)","2020","56","41","5484","5487","10.1039/d0cc01725f","","","0.82653","synchrotron","","0.0583","0.0552","","","0.1565","0.1587","","","","","","1.051","","","","has coordinates,has disorder","252693","2020-10-21","18:00:00",""
"7126425","11.152","0.002","12.967","0.003","13.78","0.003","113.934","0.004","105.531","0.005","98.396","0.005","1679.9","0.6","296","","296.26","","","","","","","","","6","P -1","-P 1","2","BODIPY","","","- C39 H38 B F2 N3 O5 -","- C39 H38 B F2 N3 O5 -","- C78 H76 B2 F4 N6 O10 -","2","1","","Ou, Changjin; Zhang, Yewei; Ge, Wei; Zhong, Liping; Huang, Yong; Si, Weili; Wang, Wenjun; Zhao, Yongxiang; Dong, Xiaochen","A three-dimensional BODIPY-iron(iii) compound with improved H<sub>2</sub>O<sub>2</sub>-response for NIR-II photoacoustic imaging guided chemodynamic/photothermal therapy.","Chemical communications (Cambridge, England)","2020","56","46","6281","6284","10.1039/d0cc01164a","","","0.71073","MoKα","","0.1658","0.0991","","","0.1891","0.2216","","","","","","1.104","","","","has coordinates","253793","2020-10-21","18:00:00",""
"7126426","11.719","0.007","22.281","0.013","20.337","0.012","90","","91.485","0.008","90","","5308","5","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H54 Fe3 N12 O2 -","- C64 H54 Fe3 N12 O2 -","- C256 H216 Fe12 N48 O8 -","4","1","","Hyun, Sung-Min; Upadhyay, Apoorva; Das, Anuvab; Burns, Corey P.; Sung, Siyoung; Beaty, Jeremy D.; Bhuvanesh, Nattamai; Nippe, Michael; Powers, David C.","Kinetic versus thermodynamic metalation enables synthesis of isostructural homo- and heterometallic trinuclear clusters.","Chemical communications (Cambridge, England)","2020","56","44","5893","5896","10.1039/d0cc02346a","","x-ray","0.71073","MoKα","","0.1457","0.0589","","","0.1106","0.1397","","","","","","0.993","","","","has coordinates,has disorder","252676","2020-10-21","18:00:00",""
"7126427","11.5922","0.0011","22.523","0.002","20.5743","0.0019","90","","92.1491","0.0014","90","","5368","0.9","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H54.36 N12 O2.18 Zn3 -","- C64 H54.36 N12 O2.18 Zn3 -","- C256 H217.44 N48 O8.72 Zn12 -","4","1","","Hyun, Sung-Min; Upadhyay, Apoorva; Das, Anuvab; Burns, Corey P.; Sung, Siyoung; Beaty, Jeremy D.; Bhuvanesh, Nattamai; Nippe, Michael; Powers, David C.","Kinetic versus thermodynamic metalation enables synthesis of isostructural homo- and heterometallic trinuclear clusters.","Chemical communications (Cambridge, England)","2020","56","44","5893","5896","10.1039/d0cc02346a","","","1.54178","CuKα","","0.0376","0.035","","","0.0853","0.0876","","","","","","1.06","","","","has coordinates,has disorder","252676","2020-10-21","18:00:00",""
"7126428","11.664","0.0007","22.4568","0.0014","20.4213","0.0013","90","","91.781","0.003","90","","5346.5","0.6","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H54 Fe2 N12 O2 Zn -","- C64 H54 Fe2.0001 N12 O2 Zn0.9999 -","- C256 H216 Fe8.0004 N48 O8 Zn3.9996 -","4","1","","Hyun, Sung-Min; Upadhyay, Apoorva; Das, Anuvab; Burns, Corey P.; Sung, Siyoung; Beaty, Jeremy D.; Bhuvanesh, Nattamai; Nippe, Michael; Powers, David C.","Kinetic versus thermodynamic metalation enables synthesis of isostructural homo- and heterometallic trinuclear clusters.","Chemical communications (Cambridge, England)","2020","56","44","5893","5896","10.1039/d0cc02346a","","","1.54178","CuKα","","0.0336","0.0333","","","0.0823","0.0825","","","","","","1.061","","","","has coordinates,has disorder","252676","2020-10-21","18:00:00",""
"7126429","24.928","0.002","24.515","0.002","25.527","0.002","90","","112.915","0.005","90","","14369","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19.99 H28.37 K1.15 Mn3.25 Na O15.73 -","- C19.9875 H28.37 K1.15 Mn3.25 Na O15.725 -","- C319.8 H453.92 K18.4 Mn52 Na16 O251.6 -","16","2","","Liu, Shuai; Deng, Youmei; Xu, Feng","An inorganic-organic hybrid Mn<sup>III</sup>{Mn}<sub>2</sub> cluster consisting of rare Lindqvist-like Mn<sub>6</sub> subunits with high proton conductivity.","Chemical communications (Cambridge, England)","2020","56","45","6066","6069","10.1039/d0cc01827a","","","0.71073","MoKα","","0.0905","0.0722","","","0.233","0.2519","","","","","","1.03","","","","has coordinates","253826","2020-10-21","18:00:00",""
"7126430","8.0514","0.0002","29.7733","0.0007","12.8449","0.0003","90","","92.127","0.002","90","","3077.02","0.13","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H34 O -","- C44 H34 O -","- C176 H136 O4 -","4","1","","Mori, Sakura; Akita, Motoko; Suzuki, Shuichi; Asano, Motoko S.; Murata, Michihisa; Akiyama, Tsuyoshi; Matsumoto, Taisuke; Kitamura, Chitoshi; Kato, Shin-Ichiro","Open-shell singlet diradicaloid difluoreno[4,3-b:3',4'-d]furan and its radical cation and dianion.","Chemical communications (Cambridge, England)","2020","56","44","5881","5884","10.1039/d0cc01638a","","x-ray","0.71073","MoKα","","0.0478","0.0404","","","0.1032","0.1078","","","","","","1.051","","","","has coordinates","252675","2020-10-21","18:00:00",""
"7126431","8.229","0.002","12.2589","0.0017","19.08","0.004","90","","90.203","0.012","90","","1924.7","0.7","302","2","302","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B Ba6 Cl9 O3 -","- B Ba6 Cl9 O3 -","- B4 Ba24 Cl36 O12 -","4","1","","Li, Wei; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Ba<sub>6</sub>BO<sub>3</sub>Cl<sub>9</sub> and Pb<sub>6</sub>BO<sub>4</sub>Cl<sub>7</sub>: structural insights into ortho-borates with uncondensed BO<sub>4</sub> tetrahedra.","Chemical communications (Cambridge, England)","2020","56","45","6086","6089","10.1039/d0cc01927e","","","0.71073","MoKα","","0.0485","0.0339","","","0.0683","0.071","","","","","","1.273","","","","has coordinates","253824","2020-10-21","18:00:00",""
"7126432","8.001","0.003","8.054","0.003","13.116","0.005","89.522","0.013","89.663","0.014","69.942","0.012","793.9","0.5","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- B Cl7 O4 Pb6 -","- B Cl7 O4 Pb6 -","- B2 Cl14 O8 Pb12 -","2","1","","Li, Wei; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Ba<sub>6</sub>BO<sub>3</sub>Cl<sub>9</sub> and Pb<sub>6</sub>BO<sub>4</sub>Cl<sub>7</sub>: structural insights into ortho-borates with uncondensed BO<sub>4</sub> tetrahedra.","Chemical communications (Cambridge, England)","2020","56","45","6086","6089","10.1039/d0cc01927e","","","0.71073","MoKα","","0.0832","0.0481","","","0.093","0.1089","","","","","","1.005","","","","has coordinates","253824","2020-10-21","18:00:00",""
"7126433","10.1095","0.0005","14.6951","0.0006","16.0516","0.0006","70.598","0.004","79.739","0.004","77.184","0.004","2178.99","0.17","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 B F2 O3 -","- C24 H29 B F2 O3 -","- C96 H116 B4 F8 O12 -","4","2","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.0513","0.0436","","","0.1192","0.1241","","","","","","1.022","","","","has coordinates","253795","2020-10-21","18:00:00",""
"7126434","8.4132","0.0007","9.9177","0.0008","15.6851","0.0011","74.475","0.007","86.897","0.006","66.845","0.008","1157.49","0.18","350","0.1","350","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 B F2 O3 -","- C24 H29 B F2 O3 -","- C48 H58 B2 F4 O6 -","2","1","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.0877","0.0625","","","0.2003","0.2195","","","","","","1.069","","","","has coordinates,has disorder","253795","2020-10-21","18:00:00",""
"7126435","8.5049","0.0007","9.9575","0.0009","15.6872","0.0012","74.405","0.007","86.917","0.007","66.543","0.008","1171.72","0.19","399.99","0.11","399.99","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 B F2 O3 -","- C24 H29 B F2 O3 -","- C48 H58 B2 F4 O6 -","2","1","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.1015","0.0678","","","0.2202","0.2471","","","","","","1.061","","","","has coordinates,has disorder","253795","2020-10-21","18:00:00",""
"7126436","10.1447","0.0006","15.1024","0.0008","16.1256","0.0008","70.107","0.005","78.921","0.004","78.57","0.005","2256.1","0.2","250","0.1","250","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 B F2 O3 -","- C24 H29 B F2 O3 -","- C96 H116 B4 F8 O12 -","4","2","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.0761","0.057","","","0.155","0.1663","","","","","","1.039","","","","has coordinates,has disorder","253795","2020-10-21","18:00:00",""
"7126437","7.6754","0.0004","19.1327","0.0009","10.149","0.0005","90","","102.782","0.005","90","","1453.46","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 B F2 O3 -","- C17 H15 B F2 O3 -","- C68 H60 B4 F8 O12 -","4","1","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.0568","0.0435","","","0.1077","0.1141","","","","","","1.076","","","","has coordinates","253795","2020-10-21","18:00:00",""
"7126438","10.1293","0.0006","14.9169","0.0007","16.0997","0.0007","70.326","0.004","79.384","0.004","77.847","0.004","2222.2","0.2","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 B F2 O3 -","- C24 H29 B F2 O3 -","- C96 H116 B4 F8 O12 -","4","2","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.0649","0.0513","","","0.1401","0.1487","","","","","","1.038","","","","has coordinates,has disorder","253795","2020-10-21","18:00:00",""
"7126439","10.1217","0.0005","14.766","0.0007","16.0705","0.0007","70.555","0.004","79.713","0.004","77.319","0.004","2195.03","0.19","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 B F2 O3 -","- C24 H29 B F2 O3 -","- C96 H116 B4 F8 O12 -","4","2","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.0555","0.0454","","","0.123","0.1292","","","","","","1.027","","","","has coordinates","253795","2020-10-21","18:00:00",""
"7126440","10.1611","0.0006","15.2065","0.0009","16.1543","0.0009","70.258","0.005","78.911","0.005","79.039","0.005","2284.2","0.2","299.99","0.1","299.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 B F2 O3 -","- C24 H29 B F2 O3 -","- C96 H116 B4 F8 O12 -","4","2","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.0918","0.0622","","","0.1754","0.1933","","","","","","1.046","","","","has coordinates,has disorder","253795","2020-10-21","18:00:00",""
"7126441","7.1609","0.0002","10.0337","0.0003","48.7164","0.0015","90","","90","","90","","3500.29","0.18","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 B F2 O3 -","- C20 H21 B F2 O3 -","- C160 H168 B8 F16 O24 -","8","1","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.0836","0.0692","","","0.1594","0.1652","","","","","","1.112","","","","has coordinates","253795","2020-10-21","18:00:00",""
"7126442","7.9445","0.0007","19.2382","0.0016","10.3606","0.0011","90","","104.183","0.01","90","","1535.2","0.3","400","0.2","400","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 B F2 O3 -","- C17 H15 B F2 O3 -","- C68 H60 B4 F8 O12 -","4","1","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.1104","0.054","","","0.1451","0.1742","","","","","","1.037","","","","has coordinates","253795","2020-10-21","18:00:00",""
"7126443","7.8494","0.0004","19.191","0.001","10.3146","0.0005","90","","103.76","0.005","90","","1509.18","0.14","300.01","0.19","300.01","0.19","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 B F2 O3 -","- C17 H15 B F2 O3 -","- C68 H60 B4 F8 O12 -","4","1","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.1096","0.0695","","","0.2074","0.2595","","","","","","0.967","","","","has coordinates","253795","2020-10-21","18:00:00",""
"7126444","7.7481","0.0004","19.1442","0.0007","10.2334","0.0004","90","","103.133","0.004","90","","1478.23","0.11","199.98","0.1","199.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 B F2 O3 -","- C17 H15 B F2 O3 -","- C68 H60 B4 F8 O12 -","4","1","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.0612","0.0446","","","0.1124","0.1211","","","","","","1.07","","","","has coordinates","253795","2020-10-21","18:00:00",""
"7126445","7.1936","0.0015","10.205","0.003","50.76","0.04","90","","90","","90","","3726","3","399.9","0.3","399.9","0.3","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 B F2 O3 -","- C20 H21 B F2 O3 -","- C160 H168 B8 F16 O24 -","8","1","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.1737","0.1104","","","0.3171","0.3638","","","","","","1.072","","","","has coordinates","253795","2020-10-21","18:00:00",""
"7126446","7.2099","0.001","10.1738","0.0009","49.415","0.006","90","","90","","90","","3624.7","0.7","300","0.17","300","0.17","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 B F2 O3 -","- C20 H21 B F2 O3 -","- C160 H168 B8 F16 O24 -","8","1","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.1356","0.0887","","","0.2518","0.2803","","","","","","1.046","","","","has coordinates","253795","2020-10-21","18:00:00",""
"7126447","7.175","0.0002","10.0917","0.0003","49.0041","0.0013","90","","90","","90","","3548.29","0.17","200.03","0.16","200.03","0.16","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 B F2 O3 -","- C20 H21 B F2 O3 -","- C160 H168 B8 F16 O24 -","8","1","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.0933","0.0729","","","0.1964","0.2066","","","","","","1.095","","","","has coordinates","253795","2020-10-21","18:00:00",""
"7126448","10.1246","0.0003","16.0039","0.0005","18.3736","0.0006","90","","90","","90","","2977.13","0.16","149.99","","149.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 N4 O5 -","- C31 H38 N4 O5 -","- C124 H152 N16 O20 -","4","1","","Wang, Donglei; Jiang, Qianwen; Yang, Xiaoyu","Atroposelective synthesis of configurationally stable nonbiaryl N-C atropisomers through direct asymmetric aminations of 1,3-benzenediamines.","Chemical communications (Cambridge, England)","2020","56","46","6201","6204","10.1039/d0cc02368j","","","1.54178","CuKα","","0.0456","0.0411","","","0.1029","0.1066","","","","","","1.036","","","","has coordinates","253797","2020-10-21","18:00:00",""
"7126449","7.7357","0.0015","12.816","0.003","13.522","0.003","110.78","0.03","103.66","0.03","96.17","0.03","1190.6","0.6","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H12 Cl2 Cu N5 O0.5 -","- C8 H12 Cl2 Cu N5 O0.5 -","- C32 H48 Cl8 Cu4 N20 O2 -","4","2","","Schäfer, Dominic; Fink, Fabian; Kleinschmidt, Denise; Keisers, Kristina; Thomas, Fabian; Hoffmann, Alexander; Pich, Andrij; Herres-Pawlis, Sonja","Enhanced catalytic activity of copper complexes in microgels for aerobic oxidation of benzyl alcohols.","Chemical communications (Cambridge, England)","2020","56","42","5601","5604","10.1039/d0cc02433c","","x-ray","0.71073","MoKα","","0.0736","0.0659","","","0.1694","0.1753","","","","","","1.097","","","","has coordinates","295677","2024-10-30","18:34:33",""
"7126450","10.5637","0.0003","7.3903","0.0002","13.8954","0.0004","90","","98.8924","0.0011","90","","1071.76","0.05","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H16 B F10 N S -","- C23 H16 B F10 N S -","- C46 H32 B2 F20 N2 S2 -","2","1","","Fischer, Malte; Schmidtmann, Marc","B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>- and HB(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>-mediated transformations of isothiocyanates.","Chemical communications (Cambridge, England)","2020","56","46","6205","6208","10.1039/d0cc02626c","","","0.71073","MoKα","","0.0399","0.0375","","","0.0983","0.1","","","","","","1.091","","","","has coordinates","253791","2020-10-21","18:00:00",""
"7126451","17.8332","0.0005","9.0061","0.0002","13.2032","0.0003","90","","90","","90","","2120.53","0.09","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H20 O8 Zn2 -","- C16 H20 O8 Zn2 -","- C64 H80 O32 Zn8 -","4","1","","Zhang, Jiajia; Cui, Fang; Li, Li; Liu, Yang; Zhang, Xiao; Cui, Tieyu","From coordination polymers to nanocrystals: general and facile synthesis of ultra-small metal oxide nanocrystals.","Chemical communications (Cambridge, England)","2020","56","45","6145","6148","10.1039/d0cc01248c","","","0.71073","MoKα","","0.036","0.0299","","","0.0637","0.0675","","","","","","1.07","","","","has coordinates","253822","2020-10-21","18:00:00",""
"7126452","5.0814","0.0002","6.9825","0.0003","17.0804","0.0008","90","","93.994","0.002","90","","604.56","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H5 N3 O5 -","- C14 H5 N3 O5 -","- C28 H10 N6 O10 -","2","0.5","","Niazi, Muhammad Rizwan; Hamzehpoor, Ehsan; Ghamari, Pegah; Perepichka, Igor F.; Perepichka, Dmitrii F.","Nitroaromatics as n-type organic semiconductors for field effect transistors.","Chemical communications (Cambridge, England)","2020","56","47","6432","6435","10.1039/d0cc01236j","","x-ray","1.54178","CuKα","","0.0374","0.0356","","","0.1015","0.1047","","","","","","1.053","","","","has coordinates,has disorder","253808","2020-10-21","18:00:00",""
"7126453","6.4066","0.0006","18.6435","0.0016","9.8389","0.001","90","","96.696","0.003","90","","1167.16","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cu N2 O3 -","- C14 H10 Cu N2 O3 -","- C56 H40 Cu4 N8 O12 -","4","1","","Khanra, Somnath; Ta, Sabyasachi; Paladhi, Ankush; Ghosh, Milan; Ghosh, Subhasis; Hira, Sumit Kumar; Manna, Partha Partim; Brandão, Paula; Félix, Vítor; Das, Debasis","A polynuclear Cu(ii) complex for real time monitoring of mitochondrial cytochrome C release during cellular apoptosis.","Chemical communications (Cambridge, England)","2020","56","48","6563","6566","10.1039/d0cc01606c","","","0.71073","MoKα","","0.0711","0.0531","","","0.1377","0.1461","","","","","","1.134","","","","has coordinates","253812","2020-10-21","18:00:00",""
"7126454","12.7633","0.0004","18.502","0.0006","24.5224","0.0008","90","","96.5057","0.001","90","","5753.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","NaBArF.L1","EI33","","- C52 H48 B F24 N2 Na O7 -","- C52 H48 B F24 N2 Na O7 -","- C208 H192 B4 F96 N8 Na4 O28 -","4","1","","Iniesta, Ester; Vidal-Ferran, Anton","Supramolecularly regulated copper-bisoxazoline catalysts for the efficient insertion of carbenoid species into hydroxyl bonds.","Chemical communications (Cambridge, England)","2020","56","47","6364","6367","10.1039/d0cc00224k","","","0.71073","MoKα","","0.1199","0.068","","","0.1701","0.2003","","","","","","1.03","","","","has coordinates,has disorder","253809","2020-10-21","18:00:00",""
"7126455","10.5906","0.0005","25.0689","0.0013","12.4435","0.0006","90","","92.9669","0.0017","90","","3299.3","0.3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","[Cu(NaPF6.L1)]PF6","EI_0","","- C44 H82 Cl0 Cu2 F24 N4 Na2 O15 P4 -","- C44 H82 Cu2 F24 N4 Na2 O15 P4 -","- C88 H164 Cu4 F48 N8 Na4 O30 P8 -","2","0.5","","Iniesta, Ester; Vidal-Ferran, Anton","Supramolecularly regulated copper-bisoxazoline catalysts for the efficient insertion of carbenoid species into hydroxyl bonds.","Chemical communications (Cambridge, England)","2020","56","47","6364","6367","10.1039/d0cc00224k","","","0.71073","MoKα","","0.0608","0.0424","","","0.0911","0.0976","","","","","","1.049","","","","has coordinates,has disorder","253809","2020-10-21","18:00:00",""
"7126456","11.243","0.0009","12.5262","0.001","14.6345","0.001","64.708","0.002","87.283","0.002","73.184","0.002","1776.8","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[Cu(NaPF6.L2)]PF6","EI200","","- C24 H44 Cu F12 N2 Na O9 P2 -","- C24 H44 Cu F12 N2 Na O9 P2 -","- C48 H88 Cu2 F24 N4 Na2 O18 P4 -","2","1","","Iniesta, Ester; Vidal-Ferran, Anton","Supramolecularly regulated copper-bisoxazoline catalysts for the efficient insertion of carbenoid species into hydroxyl bonds.","Chemical communications (Cambridge, England)","2020","56","47","6364","6367","10.1039/d0cc00224k","","","0.71073","MoKα","","0.0736","0.05","","","0.1226","0.1377","","","","","","1.021","","","","has coordinates,has disorder","253809","2020-10-21","18:00:00",""
"7126457","25.516","0.003","5.6738","0.0005","21.937","0.002","90","","110.176","0.006","90","","2981","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 F3 N O2 S -","- C15 H14 F3 N O2 S -","- C120 H112 F24 N8 O16 S8 -","8","1","","Zeng, Hao; Zhu, Chuanle; Liu, Chi; Cai, Yingying; Chen, Fulin; Jiang, Huanfeng","Three component hydroxyletherification and hydroxylazidation of (trifluoromethyl)alkenes: access to α-trifluoromethyl β-heteroatom substituted tertiary alcohols.","Chemical communications (Cambridge, England)","2020","56","46","6241","6244","10.1039/d0cc02550j","","","0.71073","MoKα","","0.1356","0.0621","","","0.102","0.1313","","","","","","1.026","","","","has coordinates","253796","2020-10-21","18:00:00",""
"7126458","8.1522","0.0003","4.739","0.0002","9.7711","0.0004","90","","99.908","0.004","90","","371.86","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H11 F O4 -","- C6 H11 F O4 -","- C12 H22 F2 O8 -","2","1","","Valverde, Pablo; Vendeville, Jean-Baptiste; Hollingsworth, Kristian; Mattey, Ashley P.; Keenan, Tessa; Chidwick, Harriet; Ledru, Helene; Huonnic, Kler; Huang, Kun; Light, Mark E.; Turner, Nicholas; Jiménez-Barbero, Jesús; Galan, M. Carmen; Fascione, Martin A.; Flitsch, Sabine; Turnbull, W. Bruce; Linclau, Bruno","Chemoenzymatic synthesis of 3-deoxy-3-fluoro-l-fucose and its enzymatic incorporation into glycoconjugates.","Chemical communications (Cambridge, England)","2020","56","47","6408","6411","10.1039/d0cc02209h","","x-ray","0.71073","MoKα","","0.0304","0.0296","","","0.0785","0.0791","","","","","","1.075","","","","has coordinates","253810","2020-10-21","18:00:00",""
"7126459","23.926","0.005","13.52","0.003","47.134","0.009","90","","98.006","0.003","90","","15098","5","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C77 H118 Al2 N6 O2 -","- C73 H110 Al2 N6 O -","- C584 H880 Al16 N48 O8 -","8","1","","Xiao, Lin; Chen, Weixing; Shen, Lingyi; Liu, Li; Xue, Yujie; Zhao, Yanxia; Yang, Xiao-Juan","Reduction of carbodiimides by a dialumane through insertion and cycloaddition.","Chemical communications (Cambridge, England)","2020","56","47","6352","6355","10.1039/d0cc02048f","","","0.71073","MoKα","","0.1173","0.0761","","","0.1972","0.2136","","","","","","1.107","","","","has coordinates","253806","2020-10-21","18:00:00",""
"7126460","11.946","0.002","14.183","0.003","21.699","0.004","71.614","0.006","88.934","0.006","76.753","0.006","3390.2","1.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H108 Al2 N8 -","- C70 H108 Al2 N8 -","- C140 H216 Al4 N16 -","2","1","","Xiao, Lin; Chen, Weixing; Shen, Lingyi; Liu, Li; Xue, Yujie; Zhao, Yanxia; Yang, Xiao-Juan","Reduction of carbodiimides by a dialumane through insertion and cycloaddition.","Chemical communications (Cambridge, England)","2020","56","47","6352","6355","10.1039/d0cc02048f","","","0.71073","MoKα","","0.0648","0.0498","","","0.1443","0.1623","","","","","","1.005","","","","has coordinates","253806","2020-10-21","18:00:00",""
"7126461","12.9012","0.001","15.4561","0.0013","22.3126","0.0017","100.431","0.003","95.38","0.003","110.218","0.003","4046.7","0.6","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C85.5 H128 Al2 N8 -","- C82 H124 Al2 N8 -","- C164 H248 Al4 N16 -","2","1","","Xiao, Lin; Chen, Weixing; Shen, Lingyi; Liu, Li; Xue, Yujie; Zhao, Yanxia; Yang, Xiao-Juan","Reduction of carbodiimides by a dialumane through insertion and cycloaddition.","Chemical communications (Cambridge, England)","2020","56","47","6352","6355","10.1039/d0cc02048f","","","0.71073","MoKα","","0.0774","0.0548","","","0.127","0.1368","","","","","","1.021","","","","has coordinates","253806","2020-10-21","18:00:00",""
"7126462","13.092","0.003","17.852","0.004","21.332","0.005","90.53","0.003","90.05","0.003","96.922","0.002","4949","2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C215 H318 Al4 N16 Na2 O4 -","- C215 H317 Al4 N16 Na2 O4 -","- C215 H317 Al4 N16 Na2 O4 -","1","0.5","","Xiao, Lin; Chen, Weixing; Shen, Lingyi; Liu, Li; Xue, Yujie; Zhao, Yanxia; Yang, Xiao-Juan","Reduction of carbodiimides by a dialumane through insertion and cycloaddition.","Chemical communications (Cambridge, England)","2020","56","47","6352","6355","10.1039/d0cc02048f","","","0.71073","MoKα","","0.1368","0.0843","","","0.1938","0.2259","","","","","","1.072","","","","has coordinates","253806","2020-10-21","18:00:00",""
"7126463","12.7376","0.0009","12.7376","0.0009","22.3806","0.0015","90","","90","","90","","3631.2","0.4","159","2","159","2","","","","","","","","4","P 41","P 4w","76","","","","- C37 H59 Al N4 -","- C37 H59 Al N4 -","- C148 H236 Al4 N16 -","4","1","","Xiao, Lin; Chen, Weixing; Shen, Lingyi; Liu, Li; Xue, Yujie; Zhao, Yanxia; Yang, Xiao-Juan","Reduction of carbodiimides by a dialumane through insertion and cycloaddition.","Chemical communications (Cambridge, England)","2020","56","47","6352","6355","10.1039/d0cc02048f","","","0.71073","MoKα","","0.0427","0.0356","","","0.0837","0.0881","","","","","","1.06","","","","has coordinates","253806","2020-10-21","18:00:00",""
"7126464","20.25","0.003","12.5817","0.0017","18.94","0.003","90","","90","","90","","4825.5","1.2","153","2","153","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C53 H75 Al N4 -","- C53 H75 Al N4 -","- C212 H300 Al4 N16 -","4","1","","Xiao, Lin; Chen, Weixing; Shen, Lingyi; Liu, Li; Xue, Yujie; Zhao, Yanxia; Yang, Xiao-Juan","Reduction of carbodiimides by a dialumane through insertion and cycloaddition.","Chemical communications (Cambridge, England)","2020","56","47","6352","6355","10.1039/d0cc02048f","","","0.71073","MoKα","","0.0362","0.0321","","","0.0669","0.0688","","","","","","1.035","","","","has coordinates","253806","2020-10-21","18:00:00",""
"7126465","9.5534","0.0003","9.6302","0.0003","10.2451","0.0002","74.922","0.002","85.722","0.002","61.931","0.003","801.8","0.05","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 I O4 -","- C17 H13 I O4 -","- C34 H26 I2 O8 -","2","1","","Tang, Pan-Ting; Shao, You-Xiang; Wang, Liang-Neng; Wei, Yi; Li, Ming; Zhang, Ni-Juan; Luo, Xiao-Peng; Ke, Zhuofeng; Liu, Yue-Jin; Zeng, Ming-Hua","Synthesis of seven-membered lactones by regioselective and stereoselective iodolactonization of electron-deficient olefins.","Chemical communications (Cambridge, England)","2020","56","49","6680","6683","10.1039/c9cc10080f","","x-ray","1.54184","CuKα","","0.0413","0.0378","","","0.1012","0.1074","","","","","","1.081","","","","has coordinates","253819","2020-10-21","18:00:00",""
"7126466","8.7643","0.0003","9.1745","0.0003","20.1935","0.0008","90","","90","","90","","1623.72","0.1","100.02","0.1","100.02","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 F I O4 -","- C18 H14 F I O4 -","- C72 H56 F4 I4 O16 -","4","1","","Tang, Pan-Ting; Shao, You-Xiang; Wang, Liang-Neng; Wei, Yi; Li, Ming; Zhang, Ni-Juan; Luo, Xiao-Peng; Ke, Zhuofeng; Liu, Yue-Jin; Zeng, Ming-Hua","Synthesis of seven-membered lactones by regioselective and stereoselective iodolactonization of electron-deficient olefins.","Chemical communications (Cambridge, England)","2020","56","49","6680","6683","10.1039/c9cc10080f","","x-ray","0.71073","MoKα","","0.0396","0.0333","","","0.0566","0.0597","","","","","","1.021","","","","has coordinates","253819","2020-10-21","18:00:00",""
"7126467","8.0931","0.0001","13.1306","0.0002","15.5266","0.0002","90","","95.488","0.002","90","","1642.41","0.04","99.98","0.1","99.98","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 I O4 -","- C19 H15 I O4 -","- C76 H60 I4 O16 -","4","1","","Tang, Pan-Ting; Shao, You-Xiang; Wang, Liang-Neng; Wei, Yi; Li, Ming; Zhang, Ni-Juan; Luo, Xiao-Peng; Ke, Zhuofeng; Liu, Yue-Jin; Zeng, Ming-Hua","Synthesis of seven-membered lactones by regioselective and stereoselective iodolactonization of electron-deficient olefins.","Chemical communications (Cambridge, England)","2020","56","49","6680","6683","10.1039/c9cc10080f","","x-ray","1.54184","CuKα","","0.0512","0.0449","","","0.1206","0.126","","","","","","1.068","","","","has coordinates","253819","2020-10-21","18:00:00",""
"7126468","9.8357","0.0002","10.4353","0.0003","10.4634","0.0003","111.642","0.002","106.312","0.002","106.245","0.002","865.1","0.05","99.98","0.1","99.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 I O5 -","- C19 H17 I O5 -","- C38 H34 I2 O10 -","2","1","","Tang, Pan-Ting; Shao, You-Xiang; Wang, Liang-Neng; Wei, Yi; Li, Ming; Zhang, Ni-Juan; Luo, Xiao-Peng; Ke, Zhuofeng; Liu, Yue-Jin; Zeng, Ming-Hua","Synthesis of seven-membered lactones by regioselective and stereoselective iodolactonization of electron-deficient olefins.","Chemical communications (Cambridge, England)","2020","56","49","6680","6683","10.1039/c9cc10080f","","x-ray","0.71073","MoKα","","0.0362","0.0317","","","0.0743","0.0762","","","","","","1.024","","","","has coordinates","253819","2020-10-21","18:00:00",""
"7126469","9.2645","0.0002","22.2327","0.0006","18.2492","0.0005","90","","101.504","0.003","90","","3683.36","0.17","99.99","0.1","99.99","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H14 F3 I O4 -","- C19 H14 F3 I O4 -","- C152 H112 F24 I8 O32 -","8","2","","Tang, Pan-Ting; Shao, You-Xiang; Wang, Liang-Neng; Wei, Yi; Li, Ming; Zhang, Ni-Juan; Luo, Xiao-Peng; Ke, Zhuofeng; Liu, Yue-Jin; Zeng, Ming-Hua","Synthesis of seven-membered lactones by regioselective and stereoselective iodolactonization of electron-deficient olefins.","Chemical communications (Cambridge, England)","2020","56","49","6680","6683","10.1039/c9cc10080f","","x-ray","0.71073","MoKα","","0.0554","0.0494","","","0.1195","0.1251","","","","","","1.003","","","","has coordinates","253819","2020-10-21","18:00:00",""
"7126470","10.5655","0.0004","14.926","0.0005","11.4963","0.0004","90","","107.437","0.004","90","","1729.66","0.11","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 I O4 -","- C19 H17 I O4 -","- C76 H68 I4 O16 -","4","1","","Tang, Pan-Ting; Shao, You-Xiang; Wang, Liang-Neng; Wei, Yi; Li, Ming; Zhang, Ni-Juan; Luo, Xiao-Peng; Ke, Zhuofeng; Liu, Yue-Jin; Zeng, Ming-Hua","Synthesis of seven-membered lactones by regioselective and stereoselective iodolactonization of electron-deficient olefins.","Chemical communications (Cambridge, England)","2020","56","49","6680","6683","10.1039/c9cc10080f","","x-ray","0.71073","MoKα","","0.0449","0.0363","","","0.0854","0.09","","","","","","1.048","","","","has coordinates","253819","2020-10-21","18:00:00",""
"7126471","17.8896","0.0005","11.8315","0.0003","14.1427","0.0004","90","","90","","90","","2993.46","0.14","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H40 Cl2 Cu2 N2 O3 P2 -","- C24 H40 Cl2 Cu2 N2 O3 P2 -","- C96 H160 Cl8 Cu8 N8 O12 P8 -","4","1","","Scheerder, Arthur R.; Lutz, Martin; Broere, Daniël L J","Unexpected reactivity of a PONNOP 'expanded pincer' ligand.","Chemical communications (Cambridge, England)","2020","56","59","8198","8201","10.1039/d0cc02166k","","","0.71073","MoKα","","0.05","0.0385","","","0.0871","0.0923","","","","","","1.103","","","","has coordinates","254909","2020-10-21","18:00:00",""
"7126472","7.8506","0.0007","8.205","0.0005","9.6512","0.0008","111.818","0.004","100.304","0.003","97.698","0.003","554","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H38 Cl2 Ni O2 P2 -","- C16 H38 Cl2 Ni O2 P2 -","- C16 H38 Cl2 Ni O2 P2 -","1","0.5","","Scheerder, Arthur R.; Lutz, Martin; Broere, Daniël L J","Unexpected reactivity of a PONNOP 'expanded pincer' ligand.","Chemical communications (Cambridge, England)","2020","56","59","8198","8201","10.1039/d0cc02166k","","","0.71073","MoKα","","0.0801","0.0536","","","0.1247","0.1351","","","","","","1.089","","","","has coordinates","254909","2020-10-21","18:00:00",""
"7126473","8.2836","0.0006","11.8373","0.0009","16.2323","0.001","93.988","0.003","96.686","0.004","93.178","0.003","1573.77","0.19","250","2","250","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H44 Br2 N2 Ni O3.5 P2 -","- C26 H44 Br2 N2 Ni O3.5 P2 -","- C52 H88 Br4 N4 Ni2 O7 P4 -","2","1","","Scheerder, Arthur R.; Lutz, Martin; Broere, Daniël L J","Unexpected reactivity of a PONNOP 'expanded pincer' ligand.","Chemical communications (Cambridge, England)","2020","56","59","8198","8201","10.1039/d0cc02166k","","","0.71073","MoKα","","0.0994","0.0552","","","0.1392","0.1618","","","","","","1.04","","","","has coordinates,has disorder","254909","2020-10-21","18:00:00",""
"7126474","5.8059","0.0008","5.8059","0.0008","13.905","0.002","90","","90","","90","","468.72","0.11","293","","293","","0.57418","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","2.0518","0.76512","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126475","5.6443","0.0008","5.6443","0.0008","13.507","0.002","90","","90","","90","","430.31","0.11","293","","293","","3.07546","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","1.69348","0.91599","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126476","5.7051","0.0006","5.7051","0.0006","13.6603","0.0017","90","","90","","90","","444.62","0.09","293","","293","","1.92173","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","2.16516","0.91772","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126477","5.6753","0.001","5.6753","0.001","13.593","0.003","90","","90","","90","","437.82","0.15","293","","293","","2.40666","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","1.41142","0.82697","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126478","5.5997","0.001","5.5997","0.001","13.351","0.003","90","","90","","90","","418.64","0.14","293","","293","","4.33309","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","2.06001","0.97468","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126479","5.758","0.0007","5.758","0.0007","13.794","0.002","90","","90","","90","","457.33","0.1","293","","293","","1.16279","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","3.11534","0.82313","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126480","5.7382","0.0007","5.7382","0.0007","13.747","0.002","90","","90","","90","","452.65","0.1","293","","293","","1.4238","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","2.14265","0.81428","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126481","5.5308","0.0015","5.5308","0.0015","13.126","0.004","90","","90","","90","","401.5","0.2","293","","293","","6.47717","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","1.88669","1.04323","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126482","5.5604","0.0012","5.5604","0.0012","13.245","0.004","90","","90","","90","","409.51","0.18","293","","293","","5.23993","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","1.8254","1.01741","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126483","16.32","0.005","16.974","0.005","19.292","0.006","88.171","0.007","70.164","0.007","62.671","0.006","4417","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H54 Cd3 N4 O14 -","- C78 H54 Cd3 N4 O14 -","- C156 H108 Cd6 N8 O28 -","2","1","","Chen, Jing; Chao, Meng-Yao; Yan Liu, ?; Xu, Bo-Wei; Zhang, Wen-Hua; Young, David J.","An N,N'-diethylformamide solvent-induced conversion cascade within a metal-organic framework single crystal.","Chemical communications (Cambridge, England)","2020","56","44","5877","5880","10.1039/d0cc02420a","","","0.71073","MoKα","","0.1899","0.0949","","","0.2847","0.3477","","","","","","1.025","","","","has coordinates","252681","2020-10-21","18:00:00",""
"7126484","16.4","0.003","16.98","0.003","20.488","0.003","92.38","0.004","111.486","0.004","116.958","0.003","4581.4","1.4","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C89 H73 Cd3 Cl3 N6 O14 -","- C89 H73 Cd3 Cl3 N6 O14 -","- C178 H146 Cd6 Cl6 N12 O28 -","2","1","","Chen, Jing; Chao, Meng-Yao; Yan Liu, ?; Xu, Bo-Wei; Zhang, Wen-Hua; Young, David J.","An N,N'-diethylformamide solvent-induced conversion cascade within a metal-organic framework single crystal.","Chemical communications (Cambridge, England)","2020","56","44","5877","5880","10.1039/d0cc02420a","","","0.71073","MoKα","","0.1571","0.0943","","","0.228","0.2572","","","","","","1.048","","","","has coordinates,has disorder","252681","2020-10-21","18:00:00",""
"7126485","16.36","0.007","17.031","0.007","19.943","0.009","89.551","0.012","69.596","0.011","62.889","0.009","4559","3","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C81.1 H58.4 Cd3 Cl3 N4.5 O13.7 -","- C81.1 H58.36 Cd3 Cl3 N4.5 O13.7 -","- C162.2 H116.72 Cd6 Cl6 N9 O27.4 -","2","1","","Chen, Jing; Chao, Meng-Yao; Yan Liu, ?; Xu, Bo-Wei; Zhang, Wen-Hua; Young, David J.","An N,N'-diethylformamide solvent-induced conversion cascade within a metal-organic framework single crystal.","Chemical communications (Cambridge, England)","2020","56","44","5877","5880","10.1039/d0cc02420a","","","0.71073","MoKα","","0.1704","0.1155","","","0.2686","0.2945","","","","","","1.134","","","","has coordinates,has disorder","252681","2020-10-21","18:00:00",""
"7126486","16.754","0.002","16.894","0.002","18.001","0.003","66.663","0.004","77.37","0.004","62.283","0.003","4137.7","1","192","2","192","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H49 Cd3 N3 O14 -","- C69 H49 Cd3 N3 O14 -","- C138 H98 Cd6 N6 O28 -","2","1","","Chen, Jing; Chao, Meng-Yao; Yan Liu, ?; Xu, Bo-Wei; Zhang, Wen-Hua; Young, David J.","An N,N'-diethylformamide solvent-induced conversion cascade within a metal-organic framework single crystal.","Chemical communications (Cambridge, England)","2020","56","44","5877","5880","10.1039/d0cc02420a","","","0.71073","MoKα","","0.1287","0.0727","","","0.171","0.1977","","","","","","1.025","","","","has coordinates","252681","2020-10-21","18:00:00",""
"7126487","16.377","0.003","17.024","0.004","20.123","0.004","90.241","0.005","110.656","0.005","117.102","0.004","4580.7","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C83.5 H62.1 Cd3 N5.1 O13.5 -","- C83.5 H62.1 Cd3 N5.1 O13.5 -","- C167 H124.2 Cd6 N10.2 O27 -","2","1","","Chen, Jing; Chao, Meng-Yao; Yan Liu, ?; Xu, Bo-Wei; Zhang, Wen-Hua; Young, David J.","An N,N'-diethylformamide solvent-induced conversion cascade within a metal-organic framework single crystal.","Chemical communications (Cambridge, England)","2020","56","44","5877","5880","10.1039/d0cc02420a","","","0.71073","MoKα","","0.1627","0.1305","","","0.2806","0.2999","","","","","","1.127","","","","has coordinates","252681","2020-10-21","18:00:00",""
"7126488","16.459","0.005","17.028","0.005","20.704","0.006","92.164","0.008","111.745","0.007","117.015","0.007","4650","2","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H83 Cd3 Cl3 N7 O15 -","- C94 H83 Cd3 Cl3 N7 O15 -","- C188 H166 Cd6 Cl6 N14 O30 -","2","1","","Chen, Jing; Chao, Meng-Yao; Yan Liu, ?; Xu, Bo-Wei; Zhang, Wen-Hua; Young, David J.","An N,N'-diethylformamide solvent-induced conversion cascade within a metal-organic framework single crystal.","Chemical communications (Cambridge, England)","2020","56","44","5877","5880","10.1039/d0cc02420a","","","0.71073","MoKα","","0.1693","0.0848","","","0.1957","0.2304","","","","","","1.043","","","","has coordinates,has disorder","252681","2020-10-21","18:00:00",""
"7126489","16.713","0.003","16.927","0.002","17.944","0.003","65.931","0.004","77.105","0.004","62.489","0.004","4107.1","1.1","205","2","205","2","","","","","","","","5","P -1","-P 1","2","","","","- C69.75 H50.75 Cd3 N3.25 O14.25 -","- C69.75 H50.75 Cd3 N3.25 O14.25 -","- C139.5 H101.5 Cd6 N6.5 O28.5 -","2","1","","Chen, Jing; Chao, Meng-Yao; Yan Liu, ?; Xu, Bo-Wei; Zhang, Wen-Hua; Young, David J.","An N,N'-diethylformamide solvent-induced conversion cascade within a metal-organic framework single crystal.","Chemical communications (Cambridge, England)","2020","56","44","5877","5880","10.1039/d0cc02420a","","","0.71073","MoKα","","0.197","0.0899","","","0.2295","0.2749","","","","","","1.053","","","","has coordinates","252681","2020-10-21","18:00:00",""
"7126490","12.3881","0.0002","12.3881","0.0002","12.3881","0.0002","90","","90","","90","","1901.14","0.05","293","2","293","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C6 H36 Cl6 Cu12 N6 S6 -","- C6 Cl6 Cu12 N6 S6 -","- C12 Cl12 Cu24 N12 S12 -","2","0.0416667","","Hu, Lanxia; Zheng, Aiping; Kang, Yao; Wen, Tian; Zhang, Jian","A supersalt-type copper(i)-thiolate cluster with applications for mechano/thermochromism and the oxygen evolution reaction.","Chemical communications (Cambridge, England)","2020","56","28","3967","3970","10.1039/d0cc00619j","","","0.71073","MoKα","","0.0759","0.0738","","","0.2678","0.2711","","","","","","1.088","","","","has coordinates","251491","2020-10-21","18:00:00",""
"7126491","22.05","0.004","10.76","0.002","9.34","0.002","90","0.03","101.29","0.03","90","0.03","2173.1","0.8","77","","77","","","","","","","","","4","C 1 c 1","C -2yc","9","dPyr PDI","dipyrrolodine perylene diimide","","- C32 H24 N4 O4 -","- C32 H24 N4 O4 -","- C128 H96 N16 O16 -","4","1","","Levine, Andrew M.; Bu, Guanhong; Biswas, Sankarsan; Tsai, Esther H. R.; Braunschweig, Adam B.; Nannenga, Brent L.","Crystal structure and orientation of organic semiconductor thin films by microcrystal electron diffraction and grazing-incidence wide-angle X-ray scattering.","Chemical communications (Cambridge, England)","2020","56","30","4204","4207","10.1039/d0cc00119h","","","1","electron","","0.2355","0.1991","","","0.4813","0.5085","","","","","","1.423","","","","has coordinates","298703","2025-04-03","05:34:20",""
"7126492","8.09","0.002","6.39","0.002","11.63","0.002","90","0.03","104.71","0.03","90","0.03","581.5","0.3","77","","77","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dCN NDI","dicyano naphthalene diimide","","- C32 H8 N8 O8 S0 -","- C32 H8 N8 O8 -","- C32 H8 N8 O8 -","1","0.25","","Levine, Andrew M.; Bu, Guanhong; Biswas, Sankarsan; Tsai, Esther H. R.; Braunschweig, Adam B.; Nannenga, Brent L.","Crystal structure and orientation of organic semiconductor thin films by microcrystal electron diffraction and grazing-incidence wide-angle X-ray scattering.","Chemical communications (Cambridge, England)","2020","56","30","4204","4207","10.1039/d0cc00119h","","","1","electron","","0.169","0.1376","","","0.3719","0.3919","","","","","","1.141","","","","has coordinates","251492","2020-10-21","18:00:00",""
"7126493","15.09","0.003","19.55","0.004","34.77","0.007","90","0.03","94.63","0.03","90","0.03","10224","4","77","","77","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","dDPP","diketopyrrolopyrrole","","- C54 H70 N8 O7.5 S2 -","- C54 H70 N8 O7.5 S2 -","- C432 H560 N64 O60 S16 -","8","2","","Levine, Andrew M.; Bu, Guanhong; Biswas, Sankarsan; Tsai, Esther H. R.; Braunschweig, Adam B.; Nannenga, Brent L.","Crystal structure and orientation of organic semiconductor thin films by microcrystal electron diffraction and grazing-incidence wide-angle X-ray scattering.","Chemical communications (Cambridge, England)","2020","56","30","4204","4207","10.1039/d0cc00119h","","","1","electron","","0.2908","0.235","","","0.5323","0.5555","","","","","","1.813","","","","has coordinates","298703","2025-04-03","05:34:20",""
"7126494","9.3575","0.0006","10.2713","0.0006","11.5278","0.0007","94.471","0.005","104.322","0.006","108.484","0.006","1003.31","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24.04 F3 O6 S -","- C19 H23.268 F3 O6 S -","- C38 H46.536 F6 O12 S2 -","2","1","","Cheng, Ruixiang; Xiong, Wenfang; Qi, Chaorong; Wang, Lu; Ren, Yanwei; Jiang, Huanfeng","Macrocyclization of 3-triflyloxybenzynes with tetrahydrofuran via an anionic thia-Fries rearrangement.","Chemical communications (Cambridge, England)","2020","56","48","6495","6498","10.1039/d0cc00135j","","x-ray","0.71073","MoKα","","0.1417","0.0668","","","0.3224","0.338","","","","","","1.074","","","","has coordinates,has disorder","253814","2020-10-21","18:00:00",""
"7126495","12.0715","0.0009","5.7257","0.0004","12.5111","0.001","90","","101.199","0.004","90","","848.27","0.11","170","2","169.97","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 F3 N3 O4 S -","- C4 H2 F3 N3 O4 S -","- C16 H8 F12 N12 O16 S4 -","4","1","","Zhang, Wei; Lin, Jin-Hong; Zhang, Pengfei; Xiao, Ji-Chang","A convenient reagent for the conversion of aldoximes into nitriles and isonitriles.","Chemical communications (Cambridge, England)","2020","56","46","6221","6224","10.1039/d0cc00188k","","","1.34139","GaKα","","0.0603","0.0589","","","0.1458","0.1481","","","","","","1.131","","","","has coordinates","253792","2020-10-21","18:00:00",""
"7126496","12.504","0.003","12.83","0.003","13.185","0.003","90","","90","","90","","2115.2","0.9","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 Fe N4 O4 -","- C14 H30 Cl4 Fe N4 O4 -","- C56 H120 Cl16 Fe4 N16 O16 -","4","1","","Hay, Moya A.; Sarkar, Arup; Craig, Gavin A.; Marriott, Katie E. R.; Wilson, Claire; Rajaraman, Gopalan; Murrie, Mark","A large axial magnetic anisotropy in trigonal bipyramidal Fe(ii).","Chemical communications (Cambridge, England)","2020","56","50","6826","6829","10.1039/d0cc02382e","","","0.71073","MoKα","","0.0895","0.0448","","","0.084","0.0996","","","","","","1.028","","","","has coordinates","253803","2020-10-21","18:00:00",""
"7126497","13.7033","0.0014","14.2585","0.0014","15.6635","0.0016","104.701","0.005","100.957","0.005","99.729","0.005","2829.3","0.5","190","2","190.15","","","","","","","","","4","P -1","-P 1","2","","Isocoumarin-DPN","","- C63 H47 N5 O22 -","- C63 H47 N5 O22 -","- C126 H94 N10 O44 -","2","1","","Yelgaonkar, Shweta P.; Kiani, Daniyal; Baltrusaitis, Jonas; MacGillivray, Leonard R.","Superstructural diversity in salt-cocrystals: higher-order hydrogen-bonded assemblies formed using U-shaped dications and with assistance of π<sup>-</sup>-π stacking.","Chemical communications (Cambridge, England)","2020","56","49","6708","6710","10.1039/d0cc02671a","","","0.71073","MoKα","","0.0779","0.0513","","","0.1357","0.1537","","","","","","1.021","","","","has coordinates","253818","2020-10-21","18:00:00",""
"7126498","8.8579","0.0009","15.7231","0.0016","20.017","0.002","110.471","0.005","93.635","0.005","106.238","0.005","2467","0.5","150","2","150.15","","","","","","","","","4","P -1","-P 1","2","","Isocoumarin-3-acid-DAPN","","- C64 H38 N2 O16 -","- C64 H38 N2 O16 -","- C128 H76 N4 O32 -","2","1","","Yelgaonkar, Shweta P.; Kiani, Daniyal; Baltrusaitis, Jonas; MacGillivray, Leonard R.","Superstructural diversity in salt-cocrystals: higher-order hydrogen-bonded assemblies formed using U-shaped dications and with assistance of π<sup>-</sup>-π stacking.","Chemical communications (Cambridge, England)","2020","56","49","6708","6710","10.1039/d0cc02671a","","","0.71073","MoKα","","0.1144","0.0524","","","0.1112","0.1325","","","","","","1.02","","","","has coordinates","253818","2020-10-21","18:00:00",""
"7126499","8.4167","0.0005","28.6453","0.0015","20.8697","0.0012","90","","100.155","0.005","90","","4952.8","0.5","100","2","100.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Isocoumarin-3-aqcid.DEPN","","- C64 H42 N2 O16 -","- C64 H42 N2 O16 -","- C256 H168 N8 O64 -","4","1","","Yelgaonkar, Shweta P.; Kiani, Daniyal; Baltrusaitis, Jonas; MacGillivray, Leonard R.","Superstructural diversity in salt-cocrystals: higher-order hydrogen-bonded assemblies formed using U-shaped dications and with assistance of π<sup>-</sup>-π stacking.","Chemical communications (Cambridge, England)","2020","56","49","6708","6710","10.1039/d0cc02671a","","","1.54178","CuKα","","0.079","0.0589","","","0.1595","0.1752","","","","","","1.04","","","","has coordinates","253818","2020-10-21","18:00:00",""
"7126500","13.7895","0.0017","20.62","0.002","3.8818","0.0007","90","","90","","90","","1103.7","0.3","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H9 F N2 O3 -","- C12 H9 F N2 O3 -","- C48 H36 F4 N8 O12 -","4","1","","Sasmal, Sheuli; Sinha, Soumya Kumar; Lahiri, Goutam Kumar; Maiti, Debabrata","A directing group-assisted ruthenium-catalyzed approach to access meta-nitrated phenols.","Chemical communications (Cambridge, England)","2020","56","52","7100","7103","10.1039/d0cc02851g","","x-ray","0.71073","MoKα","","0.1315","0.071","","","0.1277","0.1654","","","","","","1.069","","","","has coordinates","297561","2025-02-01","07:07:33",""
"7126501","8.531","0.0004","11.1285","0.0005","12.0481","0.0006","90","","110.333","0.005","90","","1072.54","0.09","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C48 H40 N8 O16 -","4","1","","Sasmal, Sheuli; Sinha, Soumya Kumar; Lahiri, Goutam Kumar; Maiti, Debabrata","A directing group-assisted ruthenium-catalyzed approach to access meta-nitrated phenols.","Chemical communications (Cambridge, England)","2020","56","52","7100","7103","10.1039/d0cc02851g","","x-ray","0.71073","MoKα","","0.0455","0.0414","","","0.1097","0.1143","","","","","","1.065","","","","has coordinates","297561","2025-02-01","07:07:33",""
"7126502","30.4822","0.0015","30.4822","0.0015","30.4822","0.0015","90","","90","","90","","28323","2","120","","120","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C84 H48 N12 O38 Th6 -","- C42 H24 N6 O26 Th6 -","- C168 H96 N24 O104 Th24 -","4","0.0208333","","Li, Zi-Jian; Ju, Yu; Yu, Bowen; Wu, Xiaoling; Lu, Huangjie; Li, Yongxin; Zhou, Jing; Guo, Xiaofeng; Zhang, Zhi-Hui; Lin, Jian; Wang, Jian-Qiang; Wang, Shuao","Modulated synthesis and isoreticular expansion of Th-MOFs with record high pore volume and surface area for iodine adsorption.","Chemical communications (Cambridge, England)","2020","56","49","6715","6718","10.1039/d0cc02841j","","","0.71073","MoKα","","0.1527","0.0855","","","0.2293","0.3077","","","","","","1.109","","","","has coordinates,has disorder","253816","2020-10-21","18:00:00",""
"7126503","25.052","0.0007","25.052","0.0007","25.052","0.0007","90","","90","","90","","15722.7","0.8","120","","120","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C60 H36 O38 Th6 -","- C30 H18 O26 Th6 -","- C120 H72 O104 Th24 -","4","0.0208333","","Li, Zi-Jian; Ju, Yu; Yu, Bowen; Wu, Xiaoling; Lu, Huangjie; Li, Yongxin; Zhou, Jing; Guo, Xiaofeng; Zhang, Zhi-Hui; Lin, Jian; Wang, Jian-Qiang; Wang, Shuao","Modulated synthesis and isoreticular expansion of Th-MOFs with record high pore volume and surface area for iodine adsorption.","Chemical communications (Cambridge, England)","2020","56","49","6715","6718","10.1039/d0cc02841j","","","0.71073","MoKα","","0.0812","0.0651","","","0.1827","0.2054","","","","","","1.051","","","","has coordinates,has disorder","253816","2020-10-21","18:00:00",""
"7126504","27.9387","0.0004","27.9387","0.0004","27.9387","0.0004","90","","90","","90","","21808.1","0.5","120","","120","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C42 H24 O19 Th3 -","- C42 H24 O19 Th3 -","- C336 H192 O152 Th24 -","8","0.0416667","","Li, Zi-Jian; Ju, Yu; Yu, Bowen; Wu, Xiaoling; Lu, Huangjie; Li, Yongxin; Zhou, Jing; Guo, Xiaofeng; Zhang, Zhi-Hui; Lin, Jian; Wang, Jian-Qiang; Wang, Shuao","Modulated synthesis and isoreticular expansion of Th-MOFs with record high pore volume and surface area for iodine adsorption.","Chemical communications (Cambridge, England)","2020","56","49","6715","6718","10.1039/d0cc02841j","","","0.71073","MoKα","","0.0419","0.0274","","","0.06","0.0661","","","","","","1.057","","","","has coordinates","253816","2020-10-21","18:00:00",""
"7126505","21.9026","0.0004","21.9026","0.0004","21.9026","0.0004","90","","90","","90","","10507.2","0.3","120","","120","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O19 Th3 -","- C24 H12 O19 Th3 -","- C192 H96 O152 Th24 -","8","0.0416667","","Li, Zi-Jian; Ju, Yu; Yu, Bowen; Wu, Xiaoling; Lu, Huangjie; Li, Yongxin; Zhou, Jing; Guo, Xiaofeng; Zhang, Zhi-Hui; Lin, Jian; Wang, Jian-Qiang; Wang, Shuao","Modulated synthesis and isoreticular expansion of Th-MOFs with record high pore volume and surface area for iodine adsorption.","Chemical communications (Cambridge, England)","2020","56","49","6715","6718","10.1039/d0cc02841j","","","0.71073","MoKα","","0.0338","0.0234","","","0.0482","0.0514","","","","","","1.066","","","","has coordinates","253816","2020-10-21","18:00:00",""
"7126506","28.2063","0.0013","28.2063","0.0013","28.2063","0.0013","90","","90","","90","","22440.8","1.8","120","","120","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C144 H96 O76 Th12 -","- C66 H48 O52 Th12 -","- C132 H96 O104 Th24 -","2","0.0104167","","Li, Zi-Jian; Ju, Yu; Yu, Bowen; Wu, Xiaoling; Lu, Huangjie; Li, Yongxin; Zhou, Jing; Guo, Xiaofeng; Zhang, Zhi-Hui; Lin, Jian; Wang, Jian-Qiang; Wang, Shuao","Modulated synthesis and isoreticular expansion of Th-MOFs with record high pore volume and surface area for iodine adsorption.","Chemical communications (Cambridge, England)","2020","56","49","6715","6718","10.1039/d0cc02841j","","","0.71073","MoKα","","0.0826","0.0765","","","0.2128","0.2203","","","","","","1.14","","","","has coordinates,has disorder","253816","2020-10-21","18:00:00",""
"7126507","30.976","0.004","30.976","0.004","30.976","0.004","90","","90","","90","","29722","7","120","","120","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C399.36 H249.6 O155.84 Th24 -","- C199.68 H118.56 O105.92 Th24 -","- C199.68 H118.56 O105.92 Th24 -","1","0.00520833","","Li, Zi-Jian; Ju, Yu; Yu, Bowen; Wu, Xiaoling; Lu, Huangjie; Li, Yongxin; Zhou, Jing; Guo, Xiaofeng; Zhang, Zhi-Hui; Lin, Jian; Wang, Jian-Qiang; Wang, Shuao","Modulated synthesis and isoreticular expansion of Th-MOFs with record high pore volume and surface area for iodine adsorption.","Chemical communications (Cambridge, England)","2020","56","49","6715","6718","10.1039/d0cc02841j","","","0.71073","MoKα","","0.0864","0.0573","","","0.1568","0.2038","","","","","","1.234","","","","has coordinates,has disorder","253816","2020-10-21","18:00:00",""
"7126508","19.0604","0.0013","19.0604","0.0013","19.0604","0.0013","90","","90","","90","","6924.6","0.8","120","","120","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C48 H24 O94 Th12 -","- C24 H12 O70 Th12 -","- C48 H24 O140 Th24 -","2","0.0104167","","Li, Zi-Jian; Ju, Yu; Yu, Bowen; Wu, Xiaoling; Lu, Huangjie; Li, Yongxin; Zhou, Jing; Guo, Xiaofeng; Zhang, Zhi-Hui; Lin, Jian; Wang, Jian-Qiang; Wang, Shuao","Modulated synthesis and isoreticular expansion of Th-MOFs with record high pore volume and surface area for iodine adsorption.","Chemical communications (Cambridge, England)","2020","56","49","6715","6718","10.1039/d0cc02841j","","","0.71073","MoKα","","0.1043","0.084","","","0.2041","0.2303","","","","","","1.097","","","","has coordinates,has disorder","253816","2020-10-21","18:00:00",""
"7126509","16.2731","0.0005","16.2731","0.0005","66.968","0.003","90","","90","","120","","15358.1","1","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C26 H32 La1.11 N4.67 O14.17 -","- C26 H19 La1.1111 N4.6666 O12.3331 -","- C468 H342 La19.9998 N83.9988 O221.996 -","18","1","","Wang, Shanshan; Li, Shuning; Xiong, Junyu; Lin, Zhengguo; Wei, Wei; Xu, Yanqing","Near-infrared photothermal conversion of stable radicals photoinduced from a viologen-based coordination polymer.","Chemical communications (Cambridge, England)","2020","56","54","7399","7402","10.1039/d0cc02193h","","","0.71073","MoKα","","0.0499","0.046","","","0.1265","0.1287","","","","","","1.041","","","","has coordinates,has disorder","254916","2020-10-21","18:00:00",""
"7126510","5.6933","0.0004","12.7845","0.001","15.7666","0.0013","90","","99.16","0.007","90","","1132.95","0.15","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H22 Cl F3 N4 -","- C25 H22 Cl F3 N4 -","- C50 H44 Cl2 F6 N8 -","2","1","","Stewart, Hannah L.; Hanby, Abigail R.; King, Thomas A.; Bond, Andrew D.; Moss, Thomas A.; Sore, Hannah F.; Spring, David R.","An efficient, stereocontrolled and versatile synthetic route to bicyclic partially saturated privileged scaffolds.","Chemical communications (Cambridge, England)","2020","56","50","6818","6821","10.1039/d0cc02728f","","","1.54178","CuKα","","0.1503","0.0854","","","0.1705","0.2028","","","","","","1.039","","","","has coordinates,has disorder","253801","2020-10-21","18:00:00",""
"7126511","8.366","0.003","8.971","0.003","9.981","0.004","70.613","0.013","73.295","0.015","74.157","0.014","663.6","0.4","273","","273","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H22 As2 N4 O2 -","- C32 H22 As2 N4 O2 -","- C32 H22 As2 N4 O2 -","1","0.5","","Fujii, Toshiki; Tanaka, Susumu; Hayashi, Shotaro; Imoto, Hiroaki; Naka, Kensuke","Dipyridinoarsole: a new class of stable and modifiable heteroatom-bridged bipyridines.","Chemical communications (Cambridge, England)","2020","56","45","6035","6038","10.1039/d0cc02389b","","","0.71075","MoKα","","0.0373","0.0311","","","0.0779","0.082","","","","","","1.063","","","","has coordinates","253827","2020-10-21","18:00:00",""
"7126512","13.597","0.004","11.204","0.003","8.645","0.002","90","","103.655","0.014","90","","1279.8","0.6","273","","273","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N2 P -","- C16 H11 N2 P -","- C64 H44 N8 P4 -","4","1","","Fujii, Toshiki; Tanaka, Susumu; Hayashi, Shotaro; Imoto, Hiroaki; Naka, Kensuke","Dipyridinoarsole: a new class of stable and modifiable heteroatom-bridged bipyridines.","Chemical communications (Cambridge, England)","2020","56","45","6035","6038","10.1039/d0cc02389b","","","0.71075","MoKα","","0.1272","0.0666","","","0.1523","0.1913","","","","","","1.054","","","","has coordinates","253827","2020-10-21","18:00:00",""
"7126513","13.672","0.009","11.334","0.008","8.756","0.006","90","","104.051","0.009","90","","1316.2","1.6","273","","273","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 As N2 -","- C16 H11 As N2 -","- C64 H44 As4 N8 -","4","1","","Fujii, Toshiki; Tanaka, Susumu; Hayashi, Shotaro; Imoto, Hiroaki; Naka, Kensuke","Dipyridinoarsole: a new class of stable and modifiable heteroatom-bridged bipyridines.","Chemical communications (Cambridge, England)","2020","56","45","6035","6038","10.1039/d0cc02389b","","","0.71075","MoKα","","0.0547","0.0366","","","0.0769","0.0841","","","","","","1.07","","","","has coordinates","253827","2020-10-21","18:00:00",""
"7126514","7.692","0.004","9.588","0.006","10.081","0.007","88.33","0.02","72.47","0.02","67.903","0.014","653.9","0.7","273","","273","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 N2 O P -","- C16 H11 N2 O P -","- C32 H22 N4 O2 P2 -","2","1","","Fujii, Toshiki; Tanaka, Susumu; Hayashi, Shotaro; Imoto, Hiroaki; Naka, Kensuke","Dipyridinoarsole: a new class of stable and modifiable heteroatom-bridged bipyridines.","Chemical communications (Cambridge, England)","2020","56","45","6035","6038","10.1039/d0cc02389b","","","0.71075","MoKα","","0.0523","0.0411","","","0.1027","0.1105","","","","","","1.035","","","","has coordinates","253827","2020-10-21","18:00:00",""
"7126515","16.402","0.005","47.39","0.013","9.844","0.003","90","","90","","90","","7652","4","273","","273","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C17 H13 As Au Cl3 N2 -","- C17 H13 As Au Cl3 N2 -","- C272 H208 As16 Au16 Cl48 N32 -","16","1","","Fujii, Toshiki; Tanaka, Susumu; Hayashi, Shotaro; Imoto, Hiroaki; Naka, Kensuke","Dipyridinoarsole: a new class of stable and modifiable heteroatom-bridged bipyridines.","Chemical communications (Cambridge, England)","2020","56","45","6035","6038","10.1039/d0cc02389b","","","0.71075","MoKα","","0.0416","0.0384","","","0.0958","0.0984","","","","","","1.02","","","","has coordinates","253827","2020-10-21","18:00:00",""
"7126516","15.32218","0.00012","19.01622","0.00016","25.9169","0.0002","100.068","0.0007","101.739","0.0007","105.504","0.0007","6911","0.11","153","2","153","","","","","","","","","7","P -1","-P 1","2","","","","- C99 H186 Cu2 Ge18 K4 N11 O27 -","- C99 H186 Cu2 Ge18 K4 N11 O26.91 -","- C198 H372 Cu4 Ge36 K8 N22 O53.82 -","2","1","","Wang, Zi-Chuan; Tkachenko, Nikolay V.; Qiao, Lei; Matito, Eduard; Muñoz-Castro, Alvaro; Boldyrev, Alexander I.; Sun, Zhong-Ming","All-metal σ-antiaromaticity in dimeric cluster anion {[CuGe<sub>9</sub>Mes]<sub>2</sub>}<sup>4</sup>.","Chemical communications (Cambridge, England)","2020","56","48","6583","6586","10.1039/d0cc02525a","","","1.54184","CuKα","","0.047","0.0405","","","0.1034","0.1065","","","","","","1.027","","","","has coordinates,has disorder","253815","2020-10-21","18:00:00",""
"7126517","24.7397","0.0016","11.8214","0.0008","17.2848","0.0009","90","","105.783","0.002","90","","4864.5","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Cl N3 O0.5 Sn -","- C28 H22 Cl N3 O0.5 Sn -","- C224 H176 Cl8 N24 O4 Sn8 -","8","2","","Chang, Wei-Chieh; Raj, Ankit; Hiramatsu, Hirotsugu; Li, Han-Jung; Ziegler, Micah S.; Lin, Yichen; Huang, Shengcih; Liu, Hsueh-Ju","Linear, mixed-valent homocatenated tri-tin complexes featuring Sn-Sn bonds.","Chemical communications (Cambridge, England)","2020","56","50","6786","6789","10.1039/d0cc02699a","","","0.71073","MoKα","","0.0324","0.0231","","","0.0467","0.051","","","","","","1.068","","","","has coordinates","295862","2024-11-09","12:08:11",""
"7126518","39.999","0.003","13.8693","0.0009","18.718","0.002","90","","113.174","0.003","90","","9546.1","1.4","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 N6 Sn -","- C52 H36 N6 Sn -","- C416 H288 N48 Sn8 -","8","1","","Chang, Wei-Chieh; Raj, Ankit; Hiramatsu, Hirotsugu; Li, Han-Jung; Ziegler, Micah S.; Lin, Yichen; Huang, Shengcih; Liu, Hsueh-Ju","Linear, mixed-valent homocatenated tri-tin complexes featuring Sn-Sn bonds.","Chemical communications (Cambridge, England)","2020","56","50","6786","6789","10.1039/d0cc02699a","","","0.71073","MoKα","","0.0767","0.0457","","","0.1074","0.1217","","","","","","0.926","","","","has coordinates,has disorder","253798","2020-10-21","18:00:00",""
"7126519","14.4606","0.0016","15.1842","0.0016","19.5168","0.0018","94.697","0.002","98.687","0.003","92.921","0.003","4213.2","0.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H54 Cl N9 Sn3 -","- C78 H54 Cl N9 Sn3 -","- C156 H108 Cl2 N18 Sn6 -","2","1","","Chang, Wei-Chieh; Raj, Ankit; Hiramatsu, Hirotsugu; Li, Han-Jung; Ziegler, Micah S.; Lin, Yichen; Huang, Shengcih; Liu, Hsueh-Ju","Linear, mixed-valent homocatenated tri-tin complexes featuring Sn-Sn bonds.","Chemical communications (Cambridge, England)","2020","56","50","6786","6789","10.1039/d0cc02699a","","","0.71073","MoKα","","0.0928","0.0492","","","0.1177","0.1382","","","","","","0.881","","","","has coordinates","253798","2020-10-21","18:00:00",""
"7126520","22.9751","0.0007","20.5456","0.0007","17.8253","0.0006","90","","109.175","0.001","90","","7947.4","0.5","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C87 H70 F3 N9 O5 S Sn3 -","- C87 H70 F3 N9 O5 S Sn3 -","- C348 H280 F12 N36 O20 S4 Sn12 -","4","1","","Chang, Wei-Chieh; Raj, Ankit; Hiramatsu, Hirotsugu; Li, Han-Jung; Ziegler, Micah S.; Lin, Yichen; Huang, Shengcih; Liu, Hsueh-Ju","Linear, mixed-valent homocatenated tri-tin complexes featuring Sn-Sn bonds.","Chemical communications (Cambridge, England)","2020","56","50","6786","6789","10.1039/d0cc02699a","","","0.71073","MoKα","","0.0454","0.0353","","","0.0783","0.0827","","","","","","1.031","","","","has coordinates,has disorder","253798","2020-10-21","18:00:00",""
"7126521","11.0407","0.0011","13.7762","0.0012","20.4412","0.0019","95.079","0.002","98.842","0.003","111.909","0.003","2813.9","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H36 N6 O10 Sn2 W2 -","- C62 H36 N6 O10 Sn2 W2 -","- C124 H72 N12 O20 Sn4 W4 -","2","1","","Chang, Wei-Chieh; Raj, Ankit; Hiramatsu, Hirotsugu; Li, Han-Jung; Ziegler, Micah S.; Lin, Yichen; Huang, Shengcih; Liu, Hsueh-Ju","Linear, mixed-valent homocatenated tri-tin complexes featuring Sn-Sn bonds.","Chemical communications (Cambridge, England)","2020","56","50","6786","6789","10.1039/d0cc02699a","","","0.71073","MoKα","","0.1046","0.0662","","","0.1539","0.176","","","","","","0.908","","","","has coordinates","253798","2020-10-21","18:00:00",""
"7126522","22.9606","0.0018","20.1323","0.0015","17.3947","0.0014","90","","109.571","0.002","90","","7576.2","1","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C82 H64 F6 N9 O P Sn3 -","- C82 H64 F6 N9 O P Sn3 -","- C328 H256 F24 N36 O4 P4 Sn12 -","4","1","","Chang, Wei-Chieh; Raj, Ankit; Hiramatsu, Hirotsugu; Li, Han-Jung; Ziegler, Micah S.; Lin, Yichen; Huang, Shengcih; Liu, Hsueh-Ju","Linear, mixed-valent homocatenated tri-tin complexes featuring Sn-Sn bonds.","Chemical communications (Cambridge, England)","2020","56","50","6786","6789","10.1039/d0cc02699a","","","0.71073","MoKα","","0.1123","0.0776","","","0.2013","0.222","","","","","","1.079","","","","has coordinates","253798","2020-10-21","18:00:00",""
"7126523","12.9156","0.0007","19.1434","0.0011","19.379","0.0012","90","","90","","90","","4791.4","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H70 B Br Li N2 O6 -","- C48 H70 B Br Li N2 O6 -","- C192 H280 B4 Br4 Li4 N8 O24 -","4","1","","Cui, Yunshu; Xiang, Libo; Wang, Junyi; Li, Chunlei; Hao, Wei; Ye, Qing","Storage and release of two electrons from an electron-rich carbon-carbon bond: boron mediated reversible coupling of DMAP and 9-azajulolidine.","Chemical communications (Cambridge, England)","2020","56","50","6794","6797","10.1039/d0cc01575j","","","0.71073","MoKα","","0.0399","0.0309","","","0.0887","0.099","","","","","","0.746","","","","has coordinates","253799","2020-10-21","18:00:00",""
"7126524","17.282","0.002","30.185","0.004","18.933","0.002","90","","111.157","0.003","90","","9210.8","1.9","99.92","","99.92","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C86 H100 B2 N8 -","- C86 H100 B2 N8 -","- C344 H400 B8 N32 -","4","1","","Cui, Yunshu; Xiang, Libo; Wang, Junyi; Li, Chunlei; Hao, Wei; Ye, Qing","Storage and release of two electrons from an electron-rich carbon-carbon bond: boron mediated reversible coupling of DMAP and 9-azajulolidine.","Chemical communications (Cambridge, England)","2020","56","50","6794","6797","10.1039/d0cc01575j","","","0.71073","MoKα","","0.1351","0.0731","","","0.1981","0.2251","","","","","","1.045","","","","has coordinates","253799","2020-10-21","18:00:00",""
"7126525","11.7554","0.0014","13.4782","0.0016","16.2117","0.0019","80.556","0.004","77.491","0.004","79.442","0.004","2444.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H56 B Br Cl6 N4 -","- C46 H56 B Br Cl6 N4 -","- C92 H112 B2 Br2 Cl12 N8 -","2","1","","Cui, Yunshu; Xiang, Libo; Wang, Junyi; Li, Chunlei; Hao, Wei; Ye, Qing","Storage and release of two electrons from an electron-rich carbon-carbon bond: boron mediated reversible coupling of DMAP and 9-azajulolidine.","Chemical communications (Cambridge, England)","2020","56","50","6794","6797","10.1039/d0cc01575j","","","0.71073","MoKα","","0.0928","0.057","","","0.1513","0.1671","","","","","","1.059","","","","has coordinates","253799","2020-10-21","18:00:00",""
"7126526","16.5767","0.0016","22.881","0.002","24.197","0.002","78.233","0.003","71.81","0.003","85.539","0.003","8534.9","1.3","100.03","","100.03","","","","","","","","","4","P -1","-P 1","2","","","","- C94 H108 B2 N8 -","- C94 H108 B2 N8 -","- C376 H432 B8 N32 -","4","2","","Cui, Yunshu; Xiang, Libo; Wang, Junyi; Li, Chunlei; Hao, Wei; Ye, Qing","Storage and release of two electrons from an electron-rich carbon-carbon bond: boron mediated reversible coupling of DMAP and 9-azajulolidine.","Chemical communications (Cambridge, England)","2020","56","50","6794","6797","10.1039/d0cc01575j","","","0.71073","MoKα","","0.0974","0.0564","","","0.1399","0.1599","","","","","","1.049","","","","has coordinates","253799","2020-10-21","18:00:00",""
"7126527","18.7601","0.0016","13.8832","0.0011","22.628","0.002","90","","112.512","0.002","90","","5444.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H62 B Br Cl8 N4 -","- C51 H62 B Br Cl8 N4 -","- C204 H248 B4 Br4 Cl32 N16 -","4","1","","Cui, Yunshu; Xiang, Libo; Wang, Junyi; Li, Chunlei; Hao, Wei; Ye, Qing","Storage and release of two electrons from an electron-rich carbon-carbon bond: boron mediated reversible coupling of DMAP and 9-azajulolidine.","Chemical communications (Cambridge, England)","2020","56","50","6794","6797","10.1039/d0cc01575j","","","0.71073","MoKα","","0.088","0.0567","","","0.1638","0.1789","","","","","","1.145","","","","has coordinates,has disorder","253799","2020-10-21","18:00:00",""
"7126528","17.4782","0.0004","12.6007","0.0002","17.9057","0.0003","90","","98.164","0.002","90","","3903.54","0.13","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cl8 N4 Ni -","- C40 H32 Cl8 N4 Ni -","- C160 H128 Cl32 N16 Ni4 -","4","1","","Liu, Si-Yu; Kawashima, Hiroyuki; Fukui, Norihito; Shinokubo, Hiroshi","A 2-to-2' 18-to-18' doubly linked Ni(ii) norcorrole dimer: an effectively conjugated antiaromatic dyad.","Chemical communications (Cambridge, England)","2020","56","50","6846","6849","10.1039/d0cc02543g","","","0.71075","MoKα","","0.0661","0.0536","","","0.1479","0.1588","","","","","","1.005","","","","has coordinates,has disorder","253804","2020-10-21","18:00:00",""
"7126529","12.0197","0.0003","15.476","0.0007","18.5471","0.0007","72.164","0.004","77.709","0.003","86.387","0.003","3209","0.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H66 Cl4 N8 Ni2 -","- C76 H66 Cl4 N8 Ni2 -","- C152 H132 Cl8 N16 Ni4 -","2","1","","Liu, Si-Yu; Kawashima, Hiroyuki; Fukui, Norihito; Shinokubo, Hiroshi","A 2-to-2' 18-to-18' doubly linked Ni(ii) norcorrole dimer: an effectively conjugated antiaromatic dyad.","Chemical communications (Cambridge, England)","2020","56","50","6846","6849","10.1039/d0cc02543g","","","0.71073","MoKα","","0.1075","0.0638","","","0.1392","0.1612","","","","","","1.029","","","","has coordinates,has disorder","253804","2020-10-21","18:00:00",""
"7126530","35.3376","0.0006","11.9482","0.0002","17.8205","0.0003","90","","102.422","0.002","90","","7348","0.2","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H31 Cl6 N4 Ni -","- C38 H31 Cl6 N4 Ni -","- C304 H248 Cl48 N32 Ni8 -","8","1","","Liu, Si-Yu; Kawashima, Hiroyuki; Fukui, Norihito; Shinokubo, Hiroshi","A 2-to-2' 18-to-18' doubly linked Ni(ii) norcorrole dimer: an effectively conjugated antiaromatic dyad.","Chemical communications (Cambridge, England)","2020","56","50","6846","6849","10.1039/d0cc02543g","","","0.71075","MoKα","","0.1156","0.0901","","","0.2524","0.2828","","","","","","1.018","","","","has coordinates,has disorder","253804","2020-10-21","18:00:00",""
"7126531","14.9496","0.0003","9.5237","0.0002","17.43","0.0004","90","","111.831","0.001","90","","2303.64","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 N O3 -","- C31 H23 N O3 -","- C124 H92 N4 O12 -","4","1","","Gao, Yu-Qi; Hou, Yi; Zhu, Liming; Chen, Junhan; Li, Ruoxin; Zhang, Sheng-Yong; He, Yu-Peng; Xie, Weiqing","Visible-light driven synthesis of polycyclic benzo[d][1,3]oxazocine from 2-aminochalcone.","Chemical communications (Cambridge, England)","2020","56","49","6739","6742","10.1039/d0cc02416c","","","1.54178","CuKα","","0.0848","0.049","","","0.1288","0.159","","","","","","1.068","","","","has coordinates","253821","2020-10-21","18:00:00",""
"7126532","10.1842","0.0006","20.0153","0.0011","10.5231","0.0006","90","","95.242","0.004","90","","2136.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 N O2 -","- C28 H23 N O2 -","- C112 H92 N4 O8 -","4","1","","Gao, Yu-Qi; Hou, Yi; Zhu, Liming; Chen, Junhan; Li, Ruoxin; Zhang, Sheng-Yong; He, Yu-Peng; Xie, Weiqing","Visible-light driven synthesis of polycyclic benzo[d][1,3]oxazocine from 2-aminochalcone.","Chemical communications (Cambridge, England)","2020","56","49","6739","6742","10.1039/d0cc02416c","","","1.54178","CuKα","","0.2382","0.088","","","0.2222","0.3359","","","","","","0.948","","","","has coordinates","253821","2020-10-21","18:00:00",""
"7126533","17.8827","0.0011","7.8947","0.0005","15.7916","0.001","90","","96.353","0.007","90","","2215.7","0.2","106","","106","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H42 B2 N2 O4 -","- C58 H42 B2 N2 O4 -","- C116 H84 B4 N4 O8 -","2","0.5","","Ohtani, Shunsuke; Nakamura, Masashi; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki","Synthesis of fully-fused bisboron azomethine complexes and their conjugated polymers with solid-state near-infrared emission.","Chemical communications (Cambridge, England)","2020","56","48","6575","6578","10.1039/d0cc02301a","","","0.71075","MoKα","","0.1561","0.0978","","","0.1732","0.1953","","","","","","1.144","","","","has coordinates","253811","2020-10-21","18:00:00",""
"7126534","5.1905","0.0005","9.3677","0.0007","23.713","0.003","90","","94.729","0.012","90","","1149.1","0.2","293","2","293.15","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C27 H28 N2 O5 -","- C27 H28 N2 O5 -","- C54 H56 N4 O10 -","2","0.5","","He, Hui-Zi; Li, Kun; Yu, Kang-Kang; Lu, Pei-Long; Feng, Mei-Lin; Chen, Shan-Yong; Yu, Xiao-Qi","Additive- and column-free synthesis of rigid bis-coumarins as fluorescent dyes for G-quadruplex sensing via disaggregation-induced emission.","Chemical communications (Cambridge, England)","2020","56","50","6870","6873","10.1039/d0cc01437k","","x-ray","0.71073","MoKα","","0.1006","0.063","","","0.152","0.1644","","","","","","1.049","","","","has coordinates","253800","2020-10-21","18:00:00",""
"7126535","6.4331","0.0012","15.335","0.003","19.485","0.004","90","","90","","90","","1922.2","0.7","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","prism","","- C20 H26 O4 S -","- C20 H26 O4 S -","- C80 H104 O16 S4 -","4","1","","Mando, Morgane; Grellepois, Fabienne; Riguet, Emmanuel","Organocatalytic enantioselective allylic alkylation of α-aryl γ-lactones: an approach to densely functionalized quaternary stereocentres.","Chemical communications (Cambridge, England)","2020","56","49","6640","6643","10.1039/d0cc02058c","","","1.54178","CuKα","","0.0275","0.0263","","","0.0629","0.0637","","","","","","1.074","","","","has coordinates,has disorder","253817","2020-10-21","18:00:00",""
"7126536","7.5891","0.0003","10.7774","0.0005","17.9836","0.0006","90","","90","","90","","1470.89","0.1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","","Ganesan, Balaji; Govindan, Karthick; Senadi, Gopal Chandru; Kandasamy, Mohanraj; Lin, Wei-Yu","Copper-catalyzed synthesis of aminoquinolines from β-(2-aminophenyl)-α,β-ynones using DMF as dual synthon.","Chemical communications (Cambridge, England)","2020","56","48","6488","6491","10.1039/d0cc03033c","","","0.71073","MoKα","","0.051","0.042","","","0.0986","0.1048","","","","","","1.068","","","","has coordinates","253813","2020-10-21","18:00:00",""
"7126537","18.8752","0.001","7.25","0.0004","13.1539","0.0007","90","","96.9162","0.0015","90","","1786.95","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 B10 N -","- C14 H21 B10 N -","- C56 H84 B40 N4 -","4","1","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","Ir-catalyzed selective dehydrogenative cross-coupling of aryls with o-carboranes via a mixed directing-group strategy.","Chemical communications (Cambridge, England)","2020","56","51","7001","7004","10.1039/d0cc02531c","","","0.71073","MoKα","","0.0826","0.0577","","","0.1432","0.1597","","","","","","1.043","","","","has coordinates","253776","2020-10-21","18:00:00",""
"7126538","19.063","0.003","6.8433","0.0009","13.5027","0.0018","90","","92.491","0.009","90","","1759.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 B10 N2 -","- C12 H20 B10 N2 -","- C48 H80 B40 N8 -","4","1","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","Ir-catalyzed selective dehydrogenative cross-coupling of aryls with o-carboranes via a mixed directing-group strategy.","Chemical communications (Cambridge, England)","2020","56","51","7001","7004","10.1039/d0cc02531c","","","0.71073","MoKα","","0.1191","0.0653","","","0.1917","0.2419","","","","","","1.024","","","","has coordinates","253776","2020-10-21","18:00:00",""
"7126539","11.1641","0.0003","11.5247","0.0003","12.2762","0.0005","85.6539","0.0017","71.2257","0.0014","82.6628","0.0011","1482.2","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H34 B20 N2 -","- C18 H34 B20 N2 -","- C36 H68 B40 N4 -","2","1","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","Ir-catalyzed selective dehydrogenative cross-coupling of aryls with o-carboranes via a mixed directing-group strategy.","Chemical communications (Cambridge, England)","2020","56","51","7001","7004","10.1039/d0cc02531c","","","0.71073","MoKα","","0.1097","0.0748","","","0.2206","0.2502","","","","","","1.044","","","","has coordinates","253776","2020-10-21","18:00:00",""
"7126540","12.1083","0.0004","15.2069","0.0005","13.3711","0.0005","90","","92.9866","0.0017","90","","2458.67","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H29 B20 N -","- C13 H29 B20 N -","- C52 H116 B80 N4 -","4","1","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","Ir-catalyzed selective dehydrogenative cross-coupling of aryls with o-carboranes via a mixed directing-group strategy.","Chemical communications (Cambridge, England)","2020","56","51","7001","7004","10.1039/d0cc02531c","","","0.71073","MoKα","","0.0701","0.0602","","","0.1767","0.1884","","","","","","1.032","","","","has coordinates","253776","2020-10-21","18:00:00",""
"7126541","11.3782","0.0012","11.4876","0.0011","13.5646","0.0015","90","","90","","90","","1773","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 B10 N2 -","- C13 H20 B10 N2 -","- C52 H80 B40 N8 -","4","1","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","Ir-catalyzed selective dehydrogenative cross-coupling of aryls with o-carboranes via a mixed directing-group strategy.","Chemical communications (Cambridge, England)","2020","56","51","7001","7004","10.1039/d0cc02531c","","","0.71073","MoKα","","0.1113","0.0826","","","0.2131","0.2336","","","","","","1.037","","","","has coordinates","253776","2020-10-21","18:00:00",""
"7126542","10.6954","0.0006","10.2783","0.0006","18.0417","0.0009","90","","90","","90","","1983.33","0.19","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C17 H23.25 B10 N -","- C17 H20 B10 N -","- C68 H80 B40 N4 -","4","0.5","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","Ir-catalyzed selective dehydrogenative cross-coupling of aryls with o-carboranes via a mixed directing-group strategy.","Chemical communications (Cambridge, England)","2020","56","51","7001","7004","10.1039/d0cc02531c","","","0.71073","MoKα","","0.0941","0.0797","","","0.2376","0.2543","","","","","","1.096","","","","has coordinates","253776","2020-10-21","18:00:00",""
"7126543","11.8847","0.0019","12.265","0.0017","12.2774","0.0016","90.795","0.004","114.061","0.004","106.385","0.004","1550.7","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H35 B10 F3 Ir N O2 -","- C26 H35 B10 F3 Ir N O2 -","- C52 H70 B20 F6 Ir2 N2 O4 -","2","1","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","Ir-catalyzed selective dehydrogenative cross-coupling of aryls with o-carboranes via a mixed directing-group strategy.","Chemical communications (Cambridge, England)","2020","56","51","7001","7004","10.1039/d0cc02531c","","","0.71073","MoKα","","0.0513","0.0505","","","0.146","0.1465","","","","","","1.315","","","","has coordinates","253776","2020-10-21","18:00:00",""
"7126544","12.1566","0.0014","9.5772","0.0011","28.031","0.003","90","","92.526","0.003","90","","3260.4","0.6","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H44 Br2 O2 S2 Si2 -","- C28 H44 Br2 O2 S2 Si2 -","- C112 H176 Br8 O8 S8 Si8 -","4","0.5","","Tani, Yosuke; Komura, Mao; Ogawa, Takuji","Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.","Chemical communications (Cambridge, England)","2020","56","50","6810","6813","10.1039/d0cc01949f","","","0.71075","MoKα","","0.0629","0.046","","","0.1023","0.1086","","","","","","1.038","","","","has coordinates","253805","2020-10-21","18:00:00",""
"7126545","12.2294","0.0016","9.613","0.0012","28.292","0.004","90","","93.195","0.003","90","","3320.9","0.8","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H44 Br2 O2 S2 Si2 -","- C28 H44 Br2 O2 S2 Si2 -","- C112 H176 Br8 O8 S8 Si8 -","4","0.5","","Tani, Yosuke; Komura, Mao; Ogawa, Takuji","Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.","Chemical communications (Cambridge, England)","2020","56","50","6810","6813","10.1039/d0cc01949f","","","0.71075","MoKα","","0.0833","0.0516","","","0.1167","0.1311","","","","","","1.012","","","","has coordinates","253805","2020-10-21","18:00:00",""
"7126546","12.2344","0.0017","9.4516","0.0014","27.594","0.004","90","","91.677","0.003","90","","3189.5","0.8","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H45 Br O2 S2 Si2 -","- C28 H45 Br O2 S2 Si2 -","- C112 H180 Br4 O8 S8 Si8 -","4","1","","Tani, Yosuke; Komura, Mao; Ogawa, Takuji","Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.","Chemical communications (Cambridge, England)","2020","56","50","6810","6813","10.1039/d0cc01949f","","","0.71075","MoKα","","0.0446","0.0356","","","0.0831","0.0861","","","","","","1.042","","","","has coordinates,has disorder","253805","2020-10-21","18:00:00",""
"7126547","12.257","0.0016","9.6358","0.0013","28.442","0.004","90","","93.474","0.003","90","","3353","0.8","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H44 Br2 O2 S2 Si2 -","- C28 H44 Br2 O2 S2 Si2 -","- C112 H176 Br8 O8 S8 Si8 -","4","0.5","","Tani, Yosuke; Komura, Mao; Ogawa, Takuji","Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.","Chemical communications (Cambridge, England)","2020","56","50","6810","6813","10.1039/d0cc01949f","","","0.71075","MoKα","","0.1004","0.0561","","","0.138","0.1569","","","","","","1.032","","","","has coordinates","253805","2020-10-21","18:00:00",""
"7126548","12.2","0.0017","9.5964","0.0012","28.151","0.004","90","","92.89","0.004","90","","3291.6","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H44 Br2 O2 S2 Si2 -","- C28 H44 Br2 O2 S2 Si2 -","- C112 H176 Br8 O8 S8 Si8 -","4","0.5","","Tani, Yosuke; Komura, Mao; Ogawa, Takuji","Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.","Chemical communications (Cambridge, England)","2020","56","50","6810","6813","10.1039/d0cc01949f","","","0.71075","MoKα","","0.0708","0.0475","","","0.1139","0.1223","","","","","","1.038","","","","has coordinates","253805","2020-10-21","18:00:00",""
"7126549","12.2742","0.0019","9.4757","0.0014","27.688","0.004","90","","92.029","0.004","90","","3218.3","0.8","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H45 Br O2 S2 Si2 -","- C28 H45 Br O2 S2 Si2 -","- C112 H180 Br4 O8 S8 Si8 -","4","1","","Tani, Yosuke; Komura, Mao; Ogawa, Takuji","Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.","Chemical communications (Cambridge, England)","2020","56","50","6810","6813","10.1039/d0cc01949f","","","0.71075","MoKα","","0.0522","0.0382","","","0.0883","0.0951","","","","","","1.025","","","","has coordinates,has disorder","253805","2020-10-21","18:00:00",""
"7126550","12.339","0.003","9.5268","0.0019","27.927","0.006","90","","92.563","0.005","90","","3279.6","1.2","273","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H45 Br O2 S2 Si2 -","- C28 H45 Br O2 S2 Si2 -","- C112 H180 Br4 O8 S8 Si8 -","4","1","","Tani, Yosuke; Komura, Mao; Ogawa, Takuji","Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.","Chemical communications (Cambridge, England)","2020","56","50","6810","6813","10.1039/d0cc01949f","","","0.71075","MoKα","","0.0884","0.0602","","","0.1408","0.1569","","","","","","1.041","","","","has coordinates,has disorder","253805","2020-10-21","18:00:00",""
"7126551","12.362","0.003","9.5472","0.0018","28.028","0.005","90","","92.689","0.005","90","","3304.3","1.2","300","2","300","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H45 Br O2 S2 Si2 -","- C28 H45 Br O2 S2 Si2 -","- C112 H180 Br4 O8 S8 Si8 -","4","1","","Tani, Yosuke; Komura, Mao; Ogawa, Takuji","Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.","Chemical communications (Cambridge, England)","2020","56","50","6810","6813","10.1039/d0cc01949f","","","0.71075","MoKα","","0.0964","0.0614","","","0.1442","0.1634","","","","","","1.026","","","","has coordinates,has disorder","253805","2020-10-21","18:00:00",""
"7126552","12.2729","0.0019","9.6494","0.0015","28.534","0.005","90","","93.614","0.004","90","","3372.5","0.9","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H44 Br2 O2 S2 Si2 -","- C28 H44 Br2 O2 S2 Si2 -","- C112 H176 Br8 O8 S8 Si8 -","4","0.5","","Tani, Yosuke; Komura, Mao; Ogawa, Takuji","Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.","Chemical communications (Cambridge, England)","2020","56","50","6810","6813","10.1039/d0cc01949f","","","0.71075","MoKα","","0.105","0.0605","","","0.1516","0.1705","","","","","","1.032","","","","has coordinates","253805","2020-10-21","18:00:00",""
"7126553","12.3126","0.0017","9.505","0.0012","27.815","0.004","90","","92.26","0.003","90","","3252.7","0.8","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H45 Br O2 S2 Si2 -","- C28 H44.674 Br O2 S2 Si2 -","- C112 H178.696 Br4 O8 S8 Si8 -","4","1","","Tani, Yosuke; Komura, Mao; Ogawa, Takuji","Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.","Chemical communications (Cambridge, England)","2020","56","50","6810","6813","10.1039/d0cc01949f","","","0.71075","MoKα","","0.0642","0.0447","","","0.1111","0.1184","","","","","","1.024","","","","has coordinates,has disorder","253805","2020-10-21","18:00:00",""
"7126554","20.709","0.001","10.9734","0.0005","25.4961","0.0011","90","","95.441","0.001","90","","5767.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H74 Br N2 O3 Re -","- C65 H74 Br N2 O3 Re -","- C260 H296 Br4 N8 O12 Re4 -","4","1","","Salsi, Federico; Neville, Michael; Drance, Myles; Hagenbach, Adelheid; Chan, Chinglin; Figueroa, Joshua S.; Abram, Ulrich","A closed-shell monomeric rhenium(1-) anion provided by m-terphenyl isocyanide ligation.","Chemical communications (Cambridge, England)","2020","56","51","7009","7012","10.1039/d0cc03043k","","","0.71073","MoKα","","0.0496","0.0324","","","0.0699","0.0762","","","","","","1.011","","","","has coordinates,has disorder","253774","2020-10-21","18:00:00",""
"7126555","10.5021","0.0005","12.1274","0.0006","25.1217","0.0013","84.635","0.001","87.156","0.002","66.182","0.001","2914","0.3","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C65 H74 K N2 O3 Re -","- C65 H74 K N2 O3 Re -","- C130 H148 K2 N4 O6 Re2 -","2","1","","Salsi, Federico; Neville, Michael; Drance, Myles; Hagenbach, Adelheid; Chan, Chinglin; Figueroa, Joshua S.; Abram, Ulrich","A closed-shell monomeric rhenium(1-) anion provided by m-terphenyl isocyanide ligation.","Chemical communications (Cambridge, England)","2020","56","51","7009","7012","10.1039/d0cc03043k","","","0.71073","MoKα","","0.0268","0.0237","","","0.0541","0.0552","","","","","","1.062","","","","has coordinates","253774","2020-10-21","18:00:00",""
"7126556","24.0967","0.0019","24.0107","0.0019","21.223","0.003","90","","108.41","0.005","90","","11651","2","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65 H74 Br N2 O3 Re -","- C65 H74 Br N2 O3 Re -","- C520 H592 Br8 N16 O24 Re8 -","8","1","","Salsi, Federico; Neville, Michael; Drance, Myles; Hagenbach, Adelheid; Chan, Chinglin; Figueroa, Joshua S.; Abram, Ulrich","A closed-shell monomeric rhenium(1-) anion provided by m-terphenyl isocyanide ligation.","Chemical communications (Cambridge, England)","2020","56","51","7009","7012","10.1039/d0cc03043k","","","0.71073","MoKα","","0.0385","0.0268","","","0.052","0.0566","","","","","","1.148","","","","has coordinates,has disorder","288265","2023-12-12","21:14:51",""
"7126557","5.9613","0.0003","7.6228","0.0003","10.163","0.0004","90","","105.627","0.004","90","","444.75","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H13 F I N -","- C6 H13 F I N -","- C12 H26 F2 I2 N2 -","2","1","","Ai, Yong; Wu, Dong-Ji; Yang, Meng-Juan; Wang, Pan; He, Wen-Hui; Liao, Wei-Qiang","Highest-T<sub>c</sub> organic enantiomeric ferroelectrics obtained by F/H substitution.","Chemical communications (Cambridge, England)","2020","56","51","7033","7036","10.1039/d0cc02547j","","","0.71073","MoKα","","0.0187","0.0185","","","0.0476","0.0477","","","","","","1.004","","","","has coordinates","253771","2020-10-21","18:00:00",""
"7126558","7.2325","0.0002","11.9157","0.0003","10.4951","0.0003","90","","94.932","0.002","90","","901.12","0.04","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 I N -","- C6 H14 I N -","- C24 H56 I4 N4 -","4","1","","Ai, Yong; Wu, Dong-Ji; Yang, Meng-Juan; Wang, Pan; He, Wen-Hui; Liao, Wei-Qiang","Highest-T<sub>c</sub> organic enantiomeric ferroelectrics obtained by F/H substitution.","Chemical communications (Cambridge, England)","2020","56","51","7033","7036","10.1039/d0cc02547j","","","0.71073","MoKα","","0.021","0.0199","","","0.0504","0.051","","","","","","1.003","","","","has coordinates","253771","2020-10-21","18:00:00",""
"7126559","7.2723","0.0001","10.4559","0.0002","11.9429","0.0003","90","","97.868","0.002","90","","899.57","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 F I N -","- C6 H13 F I N -","- C24 H52 F4 I4 N4 -","4","1","","Ai, Yong; Wu, Dong-Ji; Yang, Meng-Juan; Wang, Pan; He, Wen-Hui; Liao, Wei-Qiang","Highest-T<sub>c</sub> organic enantiomeric ferroelectrics obtained by F/H substitution.","Chemical communications (Cambridge, England)","2020","56","51","7033","7036","10.1039/d0cc02547j","","","0.71073","MoKα","","0.0177","0.017","","","0.0453","0.0458","","","","","","1.002","","","","has coordinates","253771","2020-10-21","18:00:00",""
"7126560","5.9585","0.0002","7.6205","0.0003","10.1558","0.0004","90","","105.571","0.004","90","","444.22","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H13 F I N -","- C6 H13 F I N -","- C12 H26 F2 I2 N2 -","2","1","","Ai, Yong; Wu, Dong-Ji; Yang, Meng-Juan; Wang, Pan; He, Wen-Hui; Liao, Wei-Qiang","Highest-T<sub>c</sub> organic enantiomeric ferroelectrics obtained by F/H substitution.","Chemical communications (Cambridge, England)","2020","56","51","7033","7036","10.1039/d0cc02547j","","","0.71073","MoKα","","0.0186","0.0184","","","0.0473","0.0474","","","","","","1.002","","","","has coordinates","253771","2020-10-21","18:00:00",""
"7126561","23.123","0.002","9.7734","0.0009","6.3397","0.0006","90","","91.2914","0.0014","90","","1432.3","0.2","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C10 H17 N5 O7 S -","- C10 H17 N5 O7 S -","- C40 H68 N20 O28 S4 -","4","1","","Xiao, Songjun; Lee, Wes; Chen, Fu; Zavalij, Peter Y.; Gutierrez, Osvaldo; Davis, Jeffery T.","Oxidation of 8-thioguanosine gives redox-responsive hydrogels and reveals intermediates in a desulfurization pathway.","Chemical communications (Cambridge, England)","2020","56","51","6981","6984","10.1039/d0cc02926b","","","0.71073","MoKα","","0.0452","0.0367","","","0.0587","0.0596","","","","","","1.186","","","","has coordinates","253773","2020-10-21","18:00:00",""
"7126562","22.0586","0.0002","23.0723","0.0002","26.8383","0.0003","105.276","0.0009","92.8279","0.0009","108.247","0.0009","12383.7","0.2","100.1","0.9","100","","","","","","","","","8","P -1","-P 1","2","","","","- C221 H195 Au20 Cl10 F18 O P12 Sb3 -","- C221 H180 Au20 Cl10 F18 O P12 Sb3 -","- C442 H360 Au40 Cl20 F36 O2 P24 Sb6 -","2","1","","Yuan, Shang-Fu; Li, Jiao-Jiao; Guan, Zong-Jie; Lei, Zhen; Wang, Quan-Ming","Ultrastable hydrido gold nanoclusters with the protection of phosphines.","Chemical communications (Cambridge, England)","2020","56","51","7037","7040","10.1039/d0cc02339f","","","1.54184","CuKα","","0.0988","0.0911","","","0.259","0.2733","","","","","","1.053","","","","has coordinates","253775","2020-10-21","18:00:00",""
"7126563","21.5346","0.0004","43.3916","0.0006","27.32","0.0004","90","","90.8269","0.0013","90","","25525.7","0.7","173","0.1","173","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C456 H418 Au40 F36 O16 P30 S2 -","- C456 H370 Au40 F30 O16 P29 S2 -","- C912 H740 Au80 F60 O32 P58 S4 -","2","0.5","","Yuan, Shang-Fu; Li, Jiao-Jiao; Guan, Zong-Jie; Lei, Zhen; Wang, Quan-Ming","Ultrastable hydrido gold nanoclusters with the protection of phosphines.","Chemical communications (Cambridge, England)","2020","56","51","7037","7040","10.1039/d0cc02339f","","x-ray","1.54184","CuKα","","0.0612","0.047","","","0.1165","0.124","","","","","","1.047","","","","has coordinates","253775","2020-10-21","18:00:00",""
"7126564","5.7628","0.0007","7.2333","0.0007","9.7316","0.0011","90","","90","","90","","405.65","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- O4 Pb Si Sr -","- O4 Pb Si Sr -","- O16 Pb4 Si4 Sr4 -","4","1","","Jiang, Shutong; Zhou, Jinjie; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","PbSrSiO<sub>4</sub>: a new ultraviolet nonlinear optical material with a strong second harmonic generation response and moderate birefringence.","Chemical communications (Cambridge, England)","2020","56","52","7104","7107","10.1039/d0cc02123g","","","0.71073","MoKα","","0.0408","0.0384","","","0.0867","0.0917","","","","","","1.085","","","","has coordinates","253784","2020-10-21","18:00:00",""
"7126565","11.3631","0.0006","20.5225","0.0009","11.963","0.0005","90","","117.897","0.002","90","","2465.6","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H28 Br N3 O -","- C28 H28 Br N3 O -","- C112 H112 Br4 N12 O4 -","4","2","","Gao, Zeng; Qian, Jinlong; Yang, Huameng; Hang, Xiao-Chun; Zhang, Jinlong; Jiang, Gaoxi","Chiral Brønsted acid-catalyzed dynamic kinetic resolution of atropisomeric ortho-formyl naphthamides.","Chemical communications (Cambridge, England)","2020","56","53","7265","7268","10.1039/d0cc02380a","","","0.71073","MoKα","","0.1313","0.0618","","","0.1408","0.1632","","","","","","1.015","","","","has coordinates","253777","2020-10-21","18:00:00",""
"7126566","12.0096","0.0013","13.3196","0.0014","16.1216","0.0017","90","","109.131","0.002","90","","2436.4","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N3 O -","- C28 H29 N3 O -","- C112 H116 N12 O4 -","4","2","","Gao, Zeng; Qian, Jinlong; Yang, Huameng; Hang, Xiao-Chun; Zhang, Jinlong; Jiang, Gaoxi","Chiral Brønsted acid-catalyzed dynamic kinetic resolution of atropisomeric ortho-formyl naphthamides.","Chemical communications (Cambridge, England)","2020","56","53","7265","7268","10.1039/d0cc02380a","","","0.71073","MoKα","","0.0626","0.0427","","","0.0946","0.1065","","","","","","0.999","","","","has coordinates","253777","2020-10-21","18:00:00",""
"7126567","9.2055","0.0002","17.4289","0.0003","10.2408","0.0002","90","","92.039","0.002","90","","1642.01","0.06","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C84 H64 O12 -","4","1","","Li, Yongfeng; Tang, Zhiqiong; Zhang, Junliang; Liu, Lu","Gold-catalyzed intermolecular [4+1] spiroannulation via site-selective aromatic C(sp<sup>2</sup>)-H functionalization and dearomatization of phenol derivatives.","Chemical communications (Cambridge, England)","2020","56","59","8202","8205","10.1039/d0cc01118e","","x-ray","1.54184","CuKα","","0.0455","0.0402","","","0.1104","0.1142","","","","","","1.068","","","","has coordinates","254907","2020-10-21","18:00:00",""
"7126568","8.1264","0.0001","13.3342","0.0003","14.6256","0.0002","90","","93.275","0.002","90","","1582.23","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C84 H64 O12 -","4","1","","Li, Yongfeng; Tang, Zhiqiong; Zhang, Junliang; Liu, Lu","Gold-catalyzed intermolecular [4+1] spiroannulation via site-selective aromatic C(sp<sup>2</sup>)-H functionalization and dearomatization of phenol derivatives.","Chemical communications (Cambridge, England)","2020","56","59","8202","8205","10.1039/d0cc01118e","","x-ray","1.54184","CuKα","","0.0483","0.0427","","","0.1061","0.11","","","","","","1.015","","","","has coordinates","254907","2020-10-21","18:00:00",""
"7126569","10.5466","0.0002","10.572","0.0002","14.2364","0.0002","88.049","0.001","84.217","0.001","86.299","0.001","1575.36","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C84 H64 O12 -","4","2","","Li, Yongfeng; Tang, Zhiqiong; Zhang, Junliang; Liu, Lu","Gold-catalyzed intermolecular [4+1] spiroannulation via site-selective aromatic C(sp<sup>2</sup>)-H functionalization and dearomatization of phenol derivatives.","Chemical communications (Cambridge, England)","2020","56","59","8202","8205","10.1039/d0cc01118e","","x-ray","1.54184","CuKα","","0.0418","0.0403","","","0.1006","0.1018","","","","","","1.058","","","","has coordinates","296876","2024-12-16","17:34:43",""
"7126570","9.7763","0.0008","10.5375","0.0009","15.1911","0.0013","90.931","0.003","90.634","0.003","93.521","0.003","1561.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 O4 P2 Pt -","- C72 H84 O4 P2 Pt -","- C72 H84 O4 P2 Pt -","1","0.5","","Mullin, William J.; Qin, Huan; Mani, Tomoyasu; Müller, Peter; Panzer, Matthew J.; Thomas, Samuel W.","Turning on solid-state phosphorescence of platinum acetylides with aromatic stacking.","Chemical communications (Cambridge, England)","2020","56","50","6854","6857","10.1039/d0cc02119a","","","0.71073","MoKα","","0.0628","0.0578","","","0.1484","0.1513","","","","","","1.069","","","","has coordinates,has disorder","253802","2020-10-21","18:00:00",""
"7126571","9.068","0.0009","10.8256","0.0011","15.2471","0.0015","94.454","0.004","91.432","0.004","92.084","0.004","1490.7","0.3","101","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H88 O4 P2 Pt -","- C66 H88 O4 P2 Pt -","- C66 H88 O4 P2 Pt -","1","0.5","","Mullin, William J.; Qin, Huan; Mani, Tomoyasu; Müller, Peter; Panzer, Matthew J.; Thomas, Samuel W.","Turning on solid-state phosphorescence of platinum acetylides with aromatic stacking.","Chemical communications (Cambridge, England)","2020","56","50","6854","6857","10.1039/d0cc02119a","","","0.71073","MoKα","","0.0205","0.02","","","0.0495","0.05","","","","","","1.128","","","","has coordinates,has disorder","253802","2020-10-21","18:00:00",""
"7126572","14.8762","0.001","14.6209","0.0012","14.9832","0.001","90","","90.35","0.002","90","","3258.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C72 H74 F10 O4 P2 Pt -","- C72 H74 F10 O4 P2 Pt -","- C144 H148 F20 O8 P4 Pt2 -","2","0.5","","Mullin, William J.; Qin, Huan; Mani, Tomoyasu; Müller, Peter; Panzer, Matthew J.; Thomas, Samuel W.","Turning on solid-state phosphorescence of platinum acetylides with aromatic stacking.","Chemical communications (Cambridge, England)","2020","56","50","6854","6857","10.1039/d0cc02119a","","","0.71073","MoKα","","0.0647","0.0533","","","0.1184","0.1227","","","","","","1.247","","","","has coordinates,has disorder","253802","2020-10-21","18:00:00",""
"7126573","17.9125","0.0008","21.095","0.001","21.0976","0.0008","60.1816","0.0013","89.8948","0.0015","76.3364","0.0017","6657.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H74 F10 O4 P2 Pt -","- C72 H74 F10 O4 P2 Pt -","- C288 H296 F40 O16 P8 Pt4 -","4","2","","Mullin, William J.; Qin, Huan; Mani, Tomoyasu; Müller, Peter; Panzer, Matthew J.; Thomas, Samuel W.","Turning on solid-state phosphorescence of platinum acetylides with aromatic stacking.","Chemical communications (Cambridge, England)","2020","56","50","6854","6857","10.1039/d0cc02119a","","","0.71073","MoKα","","0.0782","0.0547","","","0.1112","0.1314","","","","","","1.091","","","","has coordinates,has disorder","253802","2020-10-21","18:00:00",""
"7126574","10.3014","0.0004","11.5202","0.0005","12.2962","0.0006","96.803","0.004","97.658","0.004","98.459","0.004","1416.24","0.11","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H15 F10 N O2 -","- C36 H15 F10 N O2 -","- C72 H30 F20 N2 O4 -","2","1","","Casali, Emanuele; Kalra, Prakriti; Brochetta, Massimo; Borsari, Tania; Gandini, Andrea; Patra, Tuhin; Zanoni, Giuseppe; Maiti, Debabrata","Overriding ortho selectivity by template assisted meta-C-H activation of benzophenones.","Chemical communications (Cambridge, England)","2020","56","53","7281","7284","10.1039/d0cc03172k","","x-ray","0.71073","MoKα","","0.0836","0.0536","","","0.1175","0.1462","","","","","","1.05","","","","has coordinates","297561","2025-02-01","07:07:33",""
"7126575","7.3132","0.0005","15.406","0.001","10.7773","0.0006","90","","90","","90","","1214.25","0.13","297","2","297","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H13 N2 S Se -","- C11 H14 N2 S Se -","- C44 H56 N8 S4 Se4 -","4","1","","Karri, Ramesh; Das, Ranajit; Rai, Rakesh Kumar; Gopalakrishnan, Anaswara; Roy, Gouriprasanna","Hg-C bond protonolysis by a functional model of bacterial enzyme organomercurial lyase MerB.","Chemical communications (Cambridge, England)","2020","56","65","9280","9283","10.1039/d0cc02232b","","","0.71073","MoKα","","0.0691","0.0592","","","0.1554","0.1622","","","","","","1.112","","","","has coordinates","256024","2020-10-21","18:00:00",""
"7126576","19.541","0.005","7.511","0.0018","20.264","0.005","90","","113.102","0.007","90","","2735.7","1.2","297","2","297","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H16 N2 S Se -","- C13 H16 N2 S Se -","- C104 H128 N16 S8 Se8 -","8","2","","Karri, Ramesh; Das, Ranajit; Rai, Rakesh Kumar; Gopalakrishnan, Anaswara; Roy, Gouriprasanna","Hg-C bond protonolysis by a functional model of bacterial enzyme organomercurial lyase MerB.","Chemical communications (Cambridge, England)","2020","56","65","9280","9283","10.1039/d0cc02232b","","","0.71073","MoKα","","0.1135","0.071","","","0.1738","0.2022","","","","","","1.066","","","","has coordinates","256024","2020-10-21","18:00:00",""
"7126577","34.65","0.004","4.9196","0.0005","12.0074","0.0014","90","","90","","90","","2046.8","0.4","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H24 N4 O2 S2 Se2 -","- C14 H24 N4 O2 S2 Se2 -","- C56 H96 N16 O8 S8 Se8 -","4","0.5","","Karri, Ramesh; Das, Ranajit; Rai, Rakesh Kumar; Gopalakrishnan, Anaswara; Roy, Gouriprasanna","Hg-C bond protonolysis by a functional model of bacterial enzyme organomercurial lyase MerB.","Chemical communications (Cambridge, England)","2020","56","65","9280","9283","10.1039/d0cc02232b","","","0.71073","MoKα","","0.0773","0.0556","","","0.1362","0.1461","","","","","","1.141","","","","has coordinates","256024","2020-10-21","18:00:00",""
"7126578","23.3194","0.0007","14.8183","0.0003","16.3857","0.0004","90","","129.828","0.001","90","","4348.4","0.2","297","2","297","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H50 Hg N8 O11 Se4 -","- C32 H50 Hg N8 O11 Se4 -","- C128 H200 Hg4 N32 O44 Se16 -","4","1","","Karri, Ramesh; Das, Ranajit; Rai, Rakesh Kumar; Gopalakrishnan, Anaswara; Roy, Gouriprasanna","Hg-C bond protonolysis by a functional model of bacterial enzyme organomercurial lyase MerB.","Chemical communications (Cambridge, England)","2020","56","65","9280","9283","10.1039/d0cc02232b","","","0.71073","MoKα","","0.0316","0.0279","","","0.0622","0.0638","","","","","","1.05","","","","has coordinates","256024","2020-10-21","18:00:00",""
"7126579","8.4028","0.0003","18.7925","0.0006","8.9951","0.0003","90","","104.092","0.001","90","","1377.67","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Hg I N2 Se -","- C10 H13 Hg I N2 Se -","- C40 H52 Hg4 I4 N8 Se4 -","4","1","","Karri, Ramesh; Das, Ranajit; Rai, Rakesh Kumar; Gopalakrishnan, Anaswara; Roy, Gouriprasanna","Hg-C bond protonolysis by a functional model of bacterial enzyme organomercurial lyase MerB.","Chemical communications (Cambridge, England)","2020","56","65","9280","9283","10.1039/d0cc02232b","","","0.71073","MoKα","","0.0356","0.03","","","0.0638","0.0664","","","","","","1.045","","","","has coordinates","256024","2020-10-21","18:00:00",""
"7126580","8.9682","0.0005","10.5369","0.0005","11.8452","0.0006","90","","91.293","0.002","90","","1119.05","0.1","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 Hg I N2 Se -","- C6 H11 Hg I N2 Se -","- C24 H44 Hg4 I4 N8 Se4 -","4","1","","Karri, Ramesh; Das, Ranajit; Rai, Rakesh Kumar; Gopalakrishnan, Anaswara; Roy, Gouriprasanna","Hg-C bond protonolysis by a functional model of bacterial enzyme organomercurial lyase MerB.","Chemical communications (Cambridge, England)","2020","56","65","9280","9283","10.1039/d0cc02232b","","","0.71073","MoKα","","0.0376","0.0353","","","0.0922","0.0946","","","","","","1.084","","","","has coordinates","256024","2020-10-21","18:00:00",""
"7126581","10.3331","0.0009","11.4023","0.001","12.0379","0.0009","64.466","0.003","79.758","0.003","68.943","0.003","1193.89","0.18","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N4 S2 Se2 -","- C22 H26 N4 S2 Se2 -","- C44 H52 N8 S4 Se4 -","2","1","","Karri, Ramesh; Das, Ranajit; Rai, Rakesh Kumar; Gopalakrishnan, Anaswara; Roy, Gouriprasanna","Hg-C bond protonolysis by a functional model of bacterial enzyme organomercurial lyase MerB.","Chemical communications (Cambridge, England)","2020","56","65","9280","9283","10.1039/d0cc02232b","","","0.71073","MoKα","","0.0485","0.0356","","","0.0868","0.0938","","","","","","1.034","","","","has coordinates","256024","2020-10-21","18:00:00",""
"7126582","17.0129","0.001","12.3612","0.0007","27.5884","0.0016","90","","90","","90","","5801.8","0.6","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H22 B N O2 -","- C14 H22 B N O2 -","- C224 H352 B16 N16 O32 -","16","2","","Ilin, Egor A.; Smirnov, Vladimir O.; Volodin, Alexander D.; Korlyukov, Alexander A.; Dilman, Alexander D.","ortho-Dialkylamino arylboranes as efficient reagents for difluorocarbene trapping.","Chemical communications (Cambridge, England)","2020","56","52","7140","7142","10.1039/d0cc02567d","","","0.71073","MoKα","","0.0892","0.0567","","","0.1364","0.164","","","","","","1.089","","","","has coordinates","253785","2020-10-21","18:00:00",""
"7126583","9.0809","0.0005","11.786","0.0006","15.8425","0.0009","90","","95.264","0.001","90","","1688.43","0.16","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 B F2 N O3 -","- C17 H24 B F2 N O3 -","- C68 H96 B4 F8 N4 O12 -","4","1","","Ilin, Egor A.; Smirnov, Vladimir O.; Volodin, Alexander D.; Korlyukov, Alexander A.; Dilman, Alexander D.","ortho-Dialkylamino arylboranes as efficient reagents for difluorocarbene trapping.","Chemical communications (Cambridge, England)","2020","56","52","7140","7142","10.1039/d0cc02567d","","","0.71073","MoKα","","0.0605","0.0415","","","0.0962","0.1072","","","","","","1.006","","","","has coordinates","253785","2020-10-21","18:00:00",""
"7126584","10.6561","0.0016","15.0608","0.0013","19.6214","0.0017","90","","90","","90","","3149","0.6","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H22 B F2 N O2 -","- C15 H22 B F2 N O2 -","- C120 H176 B8 F16 N8 O16 -","8","1","","Ilin, Egor A.; Smirnov, Vladimir O.; Volodin, Alexander D.; Korlyukov, Alexander A.; Dilman, Alexander D.","ortho-Dialkylamino arylboranes as efficient reagents for difluorocarbene trapping.","Chemical communications (Cambridge, England)","2020","56","52","7140","7142","10.1039/d0cc02567d","","","1.54178","CuKα","","0.0353","0.0323","","","0.085","0.0877","","","","","","1.038","","","","has coordinates","253785","2020-10-21","18:00:00",""
"7126585","9.1544","0.0009","13.25","0.002","17.443","0.003","99.524","0.008","102.213","0.005","106.236","0.004","1927.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H30 B N Si2 W -","- C16 H30 B N Si2 W -","- C64 H120 B4 N4 Si8 W4 -","4","2","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Dellermann, Theresa; Braunschweig, Holger","Transition-metal-carbene-like intermolecular insertion of a borylene into C-H bonds.","Chemical communications (Cambridge, England)","2020","56","53","7277","7280","10.1039/d0cc03075a","","","0.71073","MoKα","","0.0495","0.0347","","","0.0526","0.0577","","","","","","1.079","","","","has coordinates","253778","2020-10-21","18:00:00",""
"7126586","12.0424","0.0006","8.8836","0.0005","31.436","0.0015","90","","90.468","0.003","90","","3362.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H108 B4 N4 Si8 W2 -","- C49 H108 B4 N4 Si8 W2 -","- C98 H216 B8 N8 Si16 W4 -","2","0.5","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Dellermann, Theresa; Braunschweig, Holger","Transition-metal-carbene-like intermolecular insertion of a borylene into C-H bonds.","Chemical communications (Cambridge, England)","2020","56","53","7277","7280","10.1039/d0cc03075a","","","0.71073","MoKα","","0.0265","0.0219","","","0.0465","0.0479","","","","","","1.051","","","","has coordinates,has disorder","253778","2020-10-21","18:00:00",""
"7126587","27.6807","0.0005","27.6807","0.0005","9.6164","0.0003","90","","90","","120","","6381.1","0.3","293.3","0.7","293.3","0.7","","","","","","","","5","R 3 :H","R 3","146","","","","- C33 H27 N O4 S -","- C33 H27 N O4 S -","- C297 H243 N9 O36 S9 -","9","1","","Jiang, Bo; Du, Wei; Chen, Ying-Chun","Modified cinchona alkaloid-catalysed enantioselective [4+4] annulations of cyclobutenones and 1-azadienes.","Chemical communications (Cambridge, England)","2020","56","53","7257","7260","10.1039/d0cc02836c","","x-ray","1.54184","CuKα","","0.0527","0.0507","","","0.1402","0.1448","","","","","","1.056","","","","has coordinates","253780","2020-10-21","18:00:00",""
"7126588","11.6141","0.0005","12.7038","0.0005","13.4922","0.0006","90","","99.08","0.003","90","","1965.74","0.15","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 N5 -","- C11 H9 N5 -","- C88 H72 N40 -","8","1","","Schrage, Briana R.; Nemykin, Victor N.; Ziegler, Christopher J.","Biliazine: a ring open phthalocyanine analog with a meso hydrogen bond.","Chemical communications (Cambridge, England)","2020","56","49","6628","6631","10.1039/d0cc03060k","","","1.54178","CuKα","","0.053","0.0461","","","0.1266","0.1336","","","","","","1.046","","","","has coordinates","253820","2020-10-21","18:00:00",""
"7126589","6.8862","0.0004","23.1744","0.0014","14.2313","0.0008","90","","102.434","0.004","90","","2217.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N9 O2 Zn -","- C24 H21 N9 O2 Zn -","- C96 H84 N36 O8 Zn4 -","4","1","","Schrage, Briana R.; Nemykin, Victor N.; Ziegler, Christopher J.","Biliazine: a ring open phthalocyanine analog with a meso hydrogen bond.","Chemical communications (Cambridge, England)","2020","56","49","6628","6631","10.1039/d0cc03060k","","","0.71073","MoKα","","0.091","0.0511","","","0.1083","0.1229","","","","","","1.048","","","","has coordinates","253820","2020-10-21","18:00:00",""
"7126590","4.579","0.006","17.112","0.013","23.46","0.016","90","","93.02","0.08","90","","1836","3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 N9 -","- C22 H15 N9 -","- C88 H60 N36 -","4","1","","Schrage, Briana R.; Nemykin, Victor N.; Ziegler, Christopher J.","Biliazine: a ring open phthalocyanine analog with a meso hydrogen bond.","Chemical communications (Cambridge, England)","2020","56","49","6628","6631","10.1039/d0cc03060k","","","1.54178","CuKα","","0.1127","0.0674","","","0.1725","0.1976","","","","","","1.015","","","","has coordinates","253820","2020-10-21","18:00:00",""
"7126591","6.8635","0.0003","23.0498","0.0013","14.1576","0.0008","90","","102.251","0.003","90","","2188.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Co N9 O2 -","- C24 H21 Co N9 O2 -","- C96 H84 Co4 N36 O8 -","4","1","","Schrage, Briana R.; Nemykin, Victor N.; Ziegler, Christopher J.","Biliazine: a ring open phthalocyanine analog with a meso hydrogen bond.","Chemical communications (Cambridge, England)","2020","56","49","6628","6631","10.1039/d0cc03060k","","","1.54178","CuKα","","0.059","0.0468","","","0.1159","0.1228","","","","","","1.05","","","","has coordinates","253820","2020-10-21","18:00:00",""
"7126592","4.6467","0.0004","16.7271","0.0017","23.289","0.002","90","","92.885","0.007","90","","1807.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 Cu N9 -","- C22 H13 Cu N9 -","- C88 H52 Cu4 N36 -","4","1","","Schrage, Briana R.; Nemykin, Victor N.; Ziegler, Christopher J.","Biliazine: a ring open phthalocyanine analog with a meso hydrogen bond.","Chemical communications (Cambridge, England)","2020","56","49","6628","6631","10.1039/d0cc03060k","","","1.54178","CuKα","","0.0851","0.049","","","0.1239","0.1454","","","","","","1.008","","","","has coordinates","253820","2020-10-21","18:00:00",""
"7126593","10.2137","0.0018","9.2639","0.0015","11.792","0.002","90","","110.27","0.005","90","","1046.6","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 O5 P -","- C22 H25 O5 P -","- C44 H50 O10 P2 -","2","1","","Verma, Ram Subhawan; Khatana, Anil Kumar; Mishra, Monika; Kumar, Shailesh; Tiwari, Bhoopendra","Access to enantioenriched 4-phosphorylated δ-lactones from β-phosphorylenones and enals via carbene organocatalysis.","Chemical communications (Cambridge, England)","2020","56","52","7155","7158","10.1039/d0cc03204b","","","0.71073","MoKα","","0.1151","0.0483","","","0.08","0.095","","","","","","1.014","","","","has coordinates","253782","2020-10-21","18:00:00",""
"7126594","7.9478","0.0006","8.3539","0.0005","14.6488","0.001","74.878","0.006","76.982","0.006","83.501","0.006","913.27","0.11","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 B F2 N3 O -","- C22 H20 B F2 N3 O -","- C44 H40 B2 F4 N6 O2 -","2","1","","Chen, Yimin; Yuan, Chang; Xie, Tianxin; Li, Yuying; Dai, Bin; Zhou, Kaixiang; Liang, Yi; Dai, Jiapei; Tan, Hongwei; Cui, Mengchao","N,O-Benzamide difluoroboron complexes as near-infrared probes for the detection of β-amyloid and tau fibrils.","Chemical communications (Cambridge, England)","2020","56","53","7269","7272","10.1039/d0cc02820g","","x-ray","1.54184","CuKα","","0.0623","0.0467","","","0.1206","0.1332","","","","","","1.027","","","","has coordinates","253781","2020-10-21","18:00:00",""
"7126595","10.3667","0.0003","6.84234","0.00018","12.9093","0.0004","90","","110.345","0.003","90","","858.56","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O9 -","- C16 H16 N2 O9 -","- C32 H32 N4 O18 -","2","1","","Ghouilem, Juba; Franco, Rémi; Retailleau, Pascal; Alami, Mouad; Gandon, Vincent; Messaoudi, Samir","Regio- and diastereoselective Pd-catalyzed synthesis of C2-aryl glycosides.","Chemical communications (Cambridge, England)","2020","56","52","7175","7178","10.1039/d0cc02175j","","x-ray","0.71073","MoKα","","0.0447","0.0433","","","0.1142","0.1161","","","","","","1.074","","","","has coordinates","253789","2020-10-21","18:00:00",""
"7126596","22.301","0.005","20.14","0.005","17.499","0.005","90","0.005","107.336","0.005","90","0.005","7503","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 Co2 N30 O44 Si W12 -","- C36 H30 Co2 N30 O44 Si W12 -","- C144 H120 Co8 N120 O176 Si4 W48 -","4","0.5","","Li, Bonan; Yu, Xiaojing; Pang, Haijun; Shen, Qingbo; Hou, Yan; Ma, Huiyuan; Xin, Jianjiao","Rational regulation of transition metals in polyoxometalate hybrids without noble metal assistance for efficient light-driven H<sub>2</sub> production.","Chemical communications (Cambridge, England)","2020","56","52","7199","7202","10.1039/d0cc00846j","","","0.71069","MoKα","","0.1001","0.0576","","","0.1188","0.1329","","","","","","1.12","","","","has coordinates","253787","2020-10-21","18:00:00",""
"7126597","22.237","0.005","20.176","0.005","17.67","0.005","90","0.005","106.768","0.005","90","0.005","7591","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 Cd2 N30 O44 Si W12 -","- C36 H30 Cd2 N30 O44 Si W12 -","- C144 H120 Cd8 N120 O176 Si4 W48 -","4","0.5","","Li, Bonan; Yu, Xiaojing; Pang, Haijun; Shen, Qingbo; Hou, Yan; Ma, Huiyuan; Xin, Jianjiao","Rational regulation of transition metals in polyoxometalate hybrids without noble metal assistance for efficient light-driven H<sub>2</sub> production.","Chemical communications (Cambridge, England)","2020","56","52","7199","7202","10.1039/d0cc00846j","","","0.71069","MoKα","","0.0745","0.0534","","","0.1288","0.1401","","","","","","1.046","","","","has coordinates","253787","2020-10-21","18:00:00",""
"7126598","22.386","0.005","19.981","0.005","17.554","0.005","90","0.005","107.121","0.005","90","0.005","7504","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 N30 O44 Si W12 Zn2 -","- C36 H30 N30 O44 Si W12 Zn2 -","- C144 H120 N120 O176 Si4 W48 Zn8 -","4","0.5","","Li, Bonan; Yu, Xiaojing; Pang, Haijun; Shen, Qingbo; Hou, Yan; Ma, Huiyuan; Xin, Jianjiao","Rational regulation of transition metals in polyoxometalate hybrids without noble metal assistance for efficient light-driven H<sub>2</sub> production.","Chemical communications (Cambridge, England)","2020","56","52","7199","7202","10.1039/d0cc00846j","","","0.71069","MoKα","","0.0987","0.0673","","","0.128","0.1375","","","","","","1.246","","","","has coordinates","253787","2020-10-21","18:00:00",""
"7126599","22.277","0.005","20.082","0.005","17.409","0.005","90","0.005","107.033","0.005","90","0.005","7447","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 Fe2 N30 O44 Si W12 -","- C36 H30 Fe2 N30 O44 Si W12 -","- C144 H120 Fe8 N120 O176 Si4 W48 -","4","0.5","","Li, Bonan; Yu, Xiaojing; Pang, Haijun; Shen, Qingbo; Hou, Yan; Ma, Huiyuan; Xin, Jianjiao","Rational regulation of transition metals in polyoxometalate hybrids without noble metal assistance for efficient light-driven H<sub>2</sub> production.","Chemical communications (Cambridge, England)","2020","56","52","7199","7202","10.1039/d0cc00846j","","","0.71069","MoKα","","0.114","0.0506","","","0.1053","0.126","","","","","","1.001","","","","has coordinates","253787","2020-10-21","18:00:00",""
"7126600","9.6309","0.0007","11.5396","0.0008","15.2779","0.001","103.549","0.006","102.775","0.006","98.081","0.006","1576.3","0.2","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H49 Al N2 O2 -","- C32 H49 Al N2 O2 -","- C64 H98 Al2 N4 O4 -","2","1","","Payne, Jack; McKeown, Paul; Kociok-Köhn, Gabriele; Jones, Matthew D.","Novel hybrid aluminium(iii)-catalen complexes as highly active catalysts for lactide polymerisation: towards industrial relevance.","Chemical communications (Cambridge, England)","2020","56","52","7163","7166","10.1039/d0cc02733b","","x-ray","1.54184","CuKα","","0.0629","0.0503","","","0.1299","0.1403","","","","","","1.034","","","","has coordinates","253783","2020-10-21","18:00:00",""
"7126601","10.1019","0.0006","14.8501","0.0012","15.5646","0.0011","111.216","0.007","103.321","0.006","97.899","0.006","2054.4","0.3","150","2","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C88.25 H120 Al2 N4 O6 -","- C88.25 H120 Al2 N4 O6 -","- C88.25 H120 Al2 N4 O6 -","1","0.5","","Payne, Jack; McKeown, Paul; Kociok-Köhn, Gabriele; Jones, Matthew D.","Novel hybrid aluminium(iii)-catalen complexes as highly active catalysts for lactide polymerisation: towards industrial relevance.","Chemical communications (Cambridge, England)","2020","56","52","7163","7166","10.1039/d0cc02733b","","x-ray","1.54184","CuKα","","0.1144","0.0669","","","0.1486","0.1784","","","","","","0.999","","","","has coordinates,has disorder","253783","2020-10-21","18:00:00",""
"7126602","9.8297","0.0011","29.388","0.008","25.847","0.002","90","","94.656","0.009","90","","7442","2","150","2","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H94 Al2 Cl4 N4 O6 -","- C81 H94 Al2 Cl4 N4 O6 -","- C324 H376 Al8 Cl16 N16 O24 -","4","1","","Payne, Jack; McKeown, Paul; Kociok-Köhn, Gabriele; Jones, Matthew D.","Novel hybrid aluminium(iii)-catalen complexes as highly active catalysts for lactide polymerisation: towards industrial relevance.","Chemical communications (Cambridge, England)","2020","56","52","7163","7166","10.1039/d0cc02733b","","x-ray","1.54184","CuKα","","0.2233","0.1028","","","0.2049","0.277","","","","","","0.997","","","","has coordinates","253783","2020-10-21","18:00:00",""
"7126603","12.4849","0.0009","14.4299","0.0009","18.0897","0.0011","90","","91.719","0.006","90","","3257.5","0.4","150","2","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H49 Al N2 O3 -","- C32 H49 Al N2 O3 -","- C128 H196 Al4 N8 O12 -","4","1","","Payne, Jack; McKeown, Paul; Kociok-Köhn, Gabriele; Jones, Matthew D.","Novel hybrid aluminium(iii)-catalen complexes as highly active catalysts for lactide polymerisation: towards industrial relevance.","Chemical communications (Cambridge, England)","2020","56","52","7163","7166","10.1039/d0cc02733b","","x-ray","1.54184","CuKα","","0.1502","0.0925","","","0.2158","0.2491","","","","","","1.073","","","","has coordinates,has disorder","253783","2020-10-21","18:00:00",""
"7126604","9.8437","0.0007","29.3","0.004","26.1541","0.0019","90","","94.073","0.007","90","","7524.3","1.3","150","2","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H94 Al2 Br4 N4 O6 -","- C81 H94 Al2 Br4 N4 O6 -","- C324 H376 Al8 Br16 N16 O24 -","4","1","","Payne, Jack; McKeown, Paul; Kociok-Köhn, Gabriele; Jones, Matthew D.","Novel hybrid aluminium(iii)-catalen complexes as highly active catalysts for lactide polymerisation: towards industrial relevance.","Chemical communications (Cambridge, England)","2020","56","52","7163","7166","10.1039/d0cc02733b","","x-ray","1.54184","CuKα","","0.2207","0.0991","","","0.1696","0.2342","","","","","","0.96","","","","has coordinates","253783","2020-10-21","18:00:00",""
"7126605","13.967","0.002","8.892","0.002","17.201","0.003","90","","110.46","0.04","90","","2001.5","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","1","","Schillmöller, Timo; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Three colour solid-state luminescence from positional isomers of facilely modified thiophosphoranyl anthracenes.","Chemical communications (Cambridge, England)","2020","56","54","7479","7482","10.1039/d0cc02585b","","","0.71073","MoKα","","0.0457","0.034","","","0.0787","0.0855","","","","","","1.034","","","","has coordinates","254914","2020-10-21","18:00:00",""
"7126606","9.649","0.002","16.139","0.003","13.295","0.003","90","","109.43","0.02","90","","1952.5","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","1","","Schillmöller, Timo; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Three colour solid-state luminescence from positional isomers of facilely modified thiophosphoranyl anthracenes.","Chemical communications (Cambridge, England)","2020","56","54","7479","7482","10.1039/d0cc02585b","","","0.71073","MoKα","","0.0549","0.0453","","","0.098","0.1019","","","","","","1.11","","","","has coordinates,has disorder","254914","2020-10-21","18:00:00",""
"7126607","18.0508","0.0007","17.7526","0.0007","24.8923","0.0009","90","","90","","90","","7976.7","0.5","120","2","120.15","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C66 H75 Cl4 Cu4 N12 O29.5 S2 -","- C66 H75 Cl4 Cu4 N12 O29.5 S2 -","- C264 H300 Cl16 Cu16 N48 O118 S8 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Modulation of hydrophilicity inside the cavity of molecular rectangles self-assembled under ambient conditions.","Chemical communications (Cambridge, England)","2020","56","57","7913","7916","10.1039/d0cc02379e","","","0.71073","MoKα","","0.0869","0.0608","","","0.143","0.1605","","","","","","1.045","","","","has coordinates","254886","2020-10-21","18:00:00",""
"7126608","15.352","0.005","15.546","0.005","19.838","0.006","73.309","0.009","78.299","0.012","63.132","0.009","4031","2","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H80 Cl4 Cu4 N12 O30 S2 -","- C68 H80 Cl4 Cu4 N12 O30 S2 -","- C136 H160 Cl8 Cu8 N24 O60 S4 -","2","1","","Khullar, Sadhika; Mandal, Sanjay K.","Modulation of hydrophilicity inside the cavity of molecular rectangles self-assembled under ambient conditions.","Chemical communications (Cambridge, England)","2020","56","57","7913","7916","10.1039/d0cc02379e","","","0.71073","MoKα","","0.1965","0.0915","","","0.1972","0.2513","","","","","","1.011","","","","has coordinates","254886","2020-10-21","18:00:00",""
"7126609","20.1897","0.0012","13.6168","0.0008","16.2901","0.001","90","","108.38","0.003","90","","4250","0.4","170","2","170","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C70 H86 Cl4 Cu4 N12 O31 S2 -","- C70 H85 Cl4 Cu4 N12 O31 S2 -","- C140 H170 Cl8 Cu8 N24 O62 S4 -","2","1","","Khullar, Sadhika; Mandal, Sanjay K.","Modulation of hydrophilicity inside the cavity of molecular rectangles self-assembled under ambient conditions.","Chemical communications (Cambridge, England)","2020","56","57","7913","7916","10.1039/d0cc02379e","","","0.71073","MoKα","","0.0896","0.0677","","","0.1749","0.1951","","","","","","1.02","","","","has coordinates","254886","2020-10-21","18:00:00",""
"7126610","18.6834","0.0005","18.4365","0.0006","16.0574","0.0004","90","","90","","90","","5531.1","0.3","193","","193","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H42 I2 Mo N P2 -","- C22 H42 I2 Mo N P2 -","- C176 H336 I16 Mo8 N8 P16 -","8","1","","Tanabe, Yoshiaki; Sekiguchi, Yoshiya; Tanaka, Hiromasa; Konomi, Asuka; Yoshizawa, Kazunari; Kuriyama, Shogo; Nishibayashi, Yoshiaki","Preparation and reactivity of molybdenum complexes bearing pyrrole-based PNP-type pincer ligand.","Chemical communications (Cambridge, England)","2020","56","51","6933","6936","10.1039/d0cc02852e","","","0.71075","MoKα","","0.1658","0.1137","","","0.1806","0.204","","","","","","1","","","","has coordinates","253772","2020-10-21","18:00:00",""
"7126611","15.3229","0.0006","20.668","0.0009","20.2145","0.0009","90","","101.531","0.007","90","","6272.6","0.5","183","","183","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H100 I2 Li2 Mo2 N4 O2 P4 -","- C52 H91 I2 Li2 Mo2 N4 O2 P4 -","- C208 H364 I8 Li8 Mo8 N16 O8 P16 -","4","1","","Tanabe, Yoshiaki; Sekiguchi, Yoshiya; Tanaka, Hiromasa; Konomi, Asuka; Yoshizawa, Kazunari; Kuriyama, Shogo; Nishibayashi, Yoshiaki","Preparation and reactivity of molybdenum complexes bearing pyrrole-based PNP-type pincer ligand.","Chemical communications (Cambridge, England)","2020","56","51","6933","6936","10.1039/d0cc02852e","","","0.71075","MoKα","","0.1448","0.0746","","","0.1046","0.1216","","","","","","1","","","","has coordinates","253772","2020-10-21","18:00:00",""
"7126612","16.2771","0.0004","18.0042","0.0004","20.8139","0.0004","90","","90","","90","","6099.6","0.2","198","","198","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H100 K Mo2 N8 O2 P4 -","- C52 H100 K Mo2 N8 O2 P4 -","- C208 H400 K4 Mo8 N32 O8 P16 -","4","1","","Tanabe, Yoshiaki; Sekiguchi, Yoshiya; Tanaka, Hiromasa; Konomi, Asuka; Yoshizawa, Kazunari; Kuriyama, Shogo; Nishibayashi, Yoshiaki","Preparation and reactivity of molybdenum complexes bearing pyrrole-based PNP-type pincer ligand.","Chemical communications (Cambridge, England)","2020","56","51","6933","6936","10.1039/d0cc02852e","","","0.71075","MoKα","","0.1279","0.0572","","","0.056","0.0635","","","","","","1","","","","has coordinates,has disorder","253772","2020-10-21","18:00:00",""
"7126613","15.1684","0.0004","20.9015","0.0006","21.1912","0.0005","84.099","0.006","86.66","0.006","69.37","0.005","6252.6","0.4","183","","183","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H99 I2 Li2 Mo2 N4 O1.5 P4 -","- C50 H99 I2 Li2 Mo2 N4 O1.5 P4 -","- C200 H396 I8 Li8 Mo8 N16 O6 P16 -","4","2","","Tanabe, Yoshiaki; Sekiguchi, Yoshiya; Tanaka, Hiromasa; Konomi, Asuka; Yoshizawa, Kazunari; Kuriyama, Shogo; Nishibayashi, Yoshiaki","Preparation and reactivity of molybdenum complexes bearing pyrrole-based PNP-type pincer ligand.","Chemical communications (Cambridge, England)","2020","56","51","6933","6936","10.1039/d0cc02852e","","","0.71075","MoKα","","0.0728","0.0469","","","0.0765","0.0829","","","","","","1","","","","has coordinates","253772","2020-10-21","18:00:00",""
"7126614","9.9107","0.0003","12.0632","0.0003","14.3759","0.0004","90","","90","","90","","1718.71","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","Li, Sifeng; Wang, Zihao; Xiao, Haitao; Bian, Zhaoxiang; Wang, Jun Joelle","Enantioselective synthesis of indole derivatives by Rh/Pd relay catalysis and their anti-inflammatory evaluation.","Chemical communications (Cambridge, England)","2020","56","55","7573","7576","10.1039/d0cc03158e","","x-ray","1.54178","CuKα","","0.0254","0.0249","","","0.0606","0.061","","","","","","1.065","","","","has coordinates","254861","2020-10-21","18:00:00",""
"7126615","5.27","0.05","7.44","0.05","18.99","0.08","90","","90","","90","","745","9","96","2","96","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Histidine","L-Histidine","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C24 H36 N12 O8 -","4","1","","Zapata, Fabiola; González, Lidia; Bastida, Adolfo; Bautista, Delia; Caballero, Antonio","Formation of self-assembled supramolecular polymers by anti-electrostatic anion-anion and halogen bonding interactions.","Chemical communications (Cambridge, England)","2020","56","52","7084","7087","10.1039/d0cc02831b","","","0.02508","electron","","0.2041","0.1981","","","0.4176","0.4285","","","","","","1.539","","","","has coordinates","253788","2020-10-21","18:00:00",""
"7126616","17.1906","0.0005","6.2367","0.0002","21.3876","0.0007","90","","112.311","0.0014","90","","2121.37","0.12","180","2","180","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","1","","Osberger, Thomas J.; Kidd, Sarah L.; King, Thomas A.; Spring, David R.","C(sp<sup>3</sup>)-H arylation to construct all-syn cyclobutane-based heterobicyclic systems: a novel fragment collection.","Chemical communications (Cambridge, England)","2020","56","54","7423","7426","10.1039/d0cc03237a","","","1.54178","CuKα","","0.0461","0.0366","","","0.0883","0.0946","","","","","","1.072","","","","has coordinates","254917","2020-10-21","18:00:00",""
"7126617","8.3412","0.0004","20.3704","0.0009","10.3467","0.0005","90","","95.383","0.003","90","","1750.29","0.14","298","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N -","- C25 H17 N -","- C100 H68 N4 -","4","1","","Adil, Laxmi Raman; Iyer, Parameswar Krishnan","Effects of incorporating regioisomers and flexible rotors to direct aggregation induced emission to achieve stimuli-responsive luminogens, security inks and chemical warfare agent sensors.","Chemical communications (Cambridge, England)","2020","56","55","7633","7636","10.1039/d0cc02318c","","","0.71073","MoKα","","0.0975","0.0508","","","0.1366","0.167","","","","","","0.954","","","","has coordinates","254864","2020-10-21","18:00:00",""
"7126618","5.7544","0.0007","11.1791","0.0013","28.221","0.003","90","","95.062","0.002","90","","1808.3","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 N -","- C25 H19 N -","- C100 H76 N4 -","4","1","","Adil, Laxmi Raman; Iyer, Parameswar Krishnan","Effects of incorporating regioisomers and flexible rotors to direct aggregation induced emission to achieve stimuli-responsive luminogens, security inks and chemical warfare agent sensors.","Chemical communications (Cambridge, England)","2020","56","55","7633","7636","10.1039/d0cc02318c","","","0.71073","MoKα","","0.0474","0.0388","","","0.1026","0.11","","","","","","1.078","","","","has coordinates","254864","2020-10-21","18:00:00",""
"7126619","16.8722","0.0015","6.0689","0.0004","18.7149","0.0019","90","","110.549","0.011","90","","1794.4","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(2-((9H-fluoren-9-ylidene)methyl)phenyl)pyridine","","- C25 H17 N -","- C25 H17 N -","- C100 H68 N4 -","4","1","","Adil, Laxmi Raman; Iyer, Parameswar Krishnan","Effects of incorporating regioisomers and flexible rotors to direct aggregation induced emission to achieve stimuli-responsive luminogens, security inks and chemical warfare agent sensors.","Chemical communications (Cambridge, England)","2020","56","55","7633","7636","10.1039/d0cc02318c","","","0.71073","MoKα","","0.118","0.0832","","","0.2526","0.3373","","","","","","1.185","","","","has coordinates","254864","2020-10-21","18:00:00",""
"7126620","16.8262","0.0009","6.0687","0.0003","18.6754","0.001","90","","110.396","0.006","90","","1787.45","0.18","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4-(2-((9H-fluoren-9-ylidene)methyl)phenyl)pyridine","4-(2-((9H-fluoren-9-ylidene)methyl)phenyl)pyridine","","- C25 H17 N -","- C25 H17 N -","- C100 H68 N4 -","4","1","","Adil, Laxmi Raman; Iyer, Parameswar Krishnan","Effects of incorporating regioisomers and flexible rotors to direct aggregation induced emission to achieve stimuli-responsive luminogens, security inks and chemical warfare agent sensors.","Chemical communications (Cambridge, England)","2020","56","55","7633","7636","10.1039/d0cc02318c","","","0.71073","MoKα","","0.0988","0.0552","","","0.1129","0.1382","","","","","","1.08","","","","has coordinates","254864","2020-10-21","18:00:00",""
"7126621","10.0071","0.0002","10.6965","0.0002","12.3292","0.0003","90.333","0.002","103.664","0.002","108.641","0.002","1210.36","0.05","105","1","105","2","","","","","","","","5","P 1","P 1","1","","","","- C49 H65 Br N10 O7 -","- C49 H65 Br N10 O7 -","- C49 H65 Br N10 O7 -","1","1","","Milbeo, Pierre; Simon, Matthieu; Didierjean, Claude; Wenger, Emmanuel; Aubert, Emmanuel; Martinez, Jean; Amblard, Muriel; Calmès, Monique; Legrand, Baptiste","A bicyclic unit reversal to stabilize the 12/14-helix in mixed homochiral oligoureas.","Chemical communications (Cambridge, England)","2020","56","57","7921","7924","10.1039/d0cc02902e","","","0.71073","MoKα","","0.0456","0.0383","","","0.0852","0.0895","","","","","","1.062","","","","has coordinates","254889","2020-10-21","18:00:00",""
"7126622","11.7593","0.0003","11.7593","0.0003","63.07","0.003","90","","90","","90","","8721.4","0.5","114.6","0.3","114.6","0.3","","","","","","","","5","P 43","P 4cw","78","","","","- C81 H113 Br N19 O10 -","- C81 H113 Br N18 O11 -","- C324 H452 Br4 N72 O44 -","4","1","","Milbeo, Pierre; Simon, Matthieu; Didierjean, Claude; Wenger, Emmanuel; Aubert, Emmanuel; Martinez, Jean; Amblard, Muriel; Calmès, Monique; Legrand, Baptiste","A bicyclic unit reversal to stabilize the 12/14-helix in mixed homochiral oligoureas.","Chemical communications (Cambridge, England)","2020","56","57","7921","7924","10.1039/d0cc02902e","","","1.54184","CuKα","","0.1129","0.0986","","","0.2401","0.2471","","","","","","1.086","","","","has coordinates","254889","2020-10-21","18:00:00",""
"7126623","6.782","0.004","9.955","0.006","15.273","0.01","96.852","0.008","91.313","0.008","97.621","0.008","1014","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H25 B F N O3 -","- C21 H25 B F N O3 -","- C42 H50 B2 F2 N2 O6 -","2","1","","Su, Zhenni; Feng, Yunqiu; Zou, Rong; Qiu, Xianfan; Wang, Jian; Tao, Chuanzhou","Copper-catalyzed borylamidation of vinyl arenes with isocyanates.","Chemical communications (Cambridge, England)","2020","56","54","7483","7486","10.1039/c9cc09902f","","","0.71073","MoKα","","0.1181","0.0617","","","0.1635","0.2017","","","","","","0.988","","","","has coordinates","254912","2020-10-21","18:00:00",""
"7126624","11.831","0.007","21.434","0.014","14.563","0.01","90","","98.575","0.018","90","","3652","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H47 Au F6 N3 Sb Si3 -","- C27 H47 Au F6 N3 Sb Si3 -","- C108 H188 Au4 F24 N12 Sb4 Si12 -","4","1","","Parvin, Nasrina; Mishra, Bijoyananda; George, Anjana; Neralkar, Mahesh; Hossain, Jabed; Parameswaran, Pattiyil; Hotha, Srinivas; Khan, Shabana","N-Heterocyclic silylene/germylene ligands in Au(i) catalysis.","Chemical communications (Cambridge, England)","2020","56","55","7625","7628","10.1039/d0cc03156a","","","0.71073","MoKα","","0.0649","0.0363","","","0.0622","0.0708","","","","","","1.015","","","","has coordinates","254863","2020-10-21","18:00:00",""
"7126625","8.9235","0.0005","18.5223","0.0013","17.845","0.0012","90","","101.332","0.002","90","","2892","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 Au Cl Ge N3 Si2 -","- C21 H41 Au Cl Ge N3 Si2 -","- C84 H164 Au4 Cl4 Ge4 N12 Si8 -","4","1","","Parvin, Nasrina; Mishra, Bijoyananda; George, Anjana; Neralkar, Mahesh; Hossain, Jabed; Parameswaran, Pattiyil; Hotha, Srinivas; Khan, Shabana","N-Heterocyclic silylene/germylene ligands in Au(i) catalysis.","Chemical communications (Cambridge, England)","2020","56","55","7625","7628","10.1039/d0cc03156a","","","0.71073","MoKα","","0.0457","0.028","","","0.0597","0.0668","","","","","","1.119","","","","has coordinates","254863","2020-10-21","18:00:00",""
"7126626","13.4432","0.0009","14.6762","0.0009","17.3789","0.0008","90","","100.206","0.001","90","","3374.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 Au F6 N2 Sb -","- C33 H42 Au F6 N2 Sb -","- C132 H168 Au4 F24 N8 Sb4 -","4","1","","Parvin, Nasrina; Mishra, Bijoyananda; George, Anjana; Neralkar, Mahesh; Hossain, Jabed; Parameswaran, Pattiyil; Hotha, Srinivas; Khan, Shabana","N-Heterocyclic silylene/germylene ligands in Au(i) catalysis.","Chemical communications (Cambridge, England)","2020","56","55","7625","7628","10.1039/d0cc03156a","","","0.71073","MoKα","","0.0251","0.0201","","","0.0401","0.042","","","","","","1.037","","","","has coordinates","254863","2020-10-21","18:00:00",""
"7126627","12.132","0.003","13.703","0.005","17.467","0.006","112.033","0.007","104.987","0.007","92.737","0.008","2566","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H75 Co O4 P -","- C53 H80 Co O4 P -","- C106 H160 Co2 O8 P2 -","2","1","","Parvin, Nasrina; Mishra, Bijoyananda; George, Anjana; Neralkar, Mahesh; Hossain, Jabed; Parameswaran, Pattiyil; Hotha, Srinivas; Khan, Shabana","N-Heterocyclic silylene/germylene ligands in Au(i) catalysis.","Chemical communications (Cambridge, England)","2020","56","55","7625","7628","10.1039/d0cc03156a","","","0.71073","MoKα","","0.2596","0.1149","","","0.26","0.326","","","","","","1.05","","","","has coordinates","254863","2020-10-21","18:00:00",""
"7126628","22.214","0.007","18.276","0.006","18.686","0.006","90","","93.012","0.007","90","","7576","4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H51 Au F6 N3 Sb Si3 -","- C29 H51 Au F6 N3 Sb Si3 -","- C232 H408 Au8 F48 N24 Sb8 Si24 -","8","2","","Parvin, Nasrina; Mishra, Bijoyananda; George, Anjana; Neralkar, Mahesh; Hossain, Jabed; Parameswaran, Pattiyil; Hotha, Srinivas; Khan, Shabana","N-Heterocyclic silylene/germylene ligands in Au(i) catalysis.","Chemical communications (Cambridge, England)","2020","56","55","7625","7628","10.1039/d0cc03156a","","","0.71073","MoKα","","0.1724","0.08","","","0.1492","0.1766","","","","","","1.078","","","","has coordinates,has disorder","254863","2020-10-21","18:00:00",""
"7126629","9.741","0.009","17.157","0.015","18.969","0.015","102.473","0.013","91.56","0.02","91.73","0.02","3092","5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H46 Co N3 O Si3 -","- C27 H46 Co N3 O Si3 -","- C108 H184 Co4 N12 O4 Si12 -","4","2","","Parvin, Nasrina; Mishra, Bijoyananda; George, Anjana; Neralkar, Mahesh; Hossain, Jabed; Parameswaran, Pattiyil; Hotha, Srinivas; Khan, Shabana","N-Heterocyclic silylene/germylene ligands in Au(i) catalysis.","Chemical communications (Cambridge, England)","2020","56","55","7625","7628","10.1039/d0cc03156a","","","0.71073","MoKα","","0.1738","0.1474","","","0.3961","0.4128","","","","","","1.696","","","","has coordinates","254863","2020-10-21","18:00:00",""
"7126630","19.018","0.002","19.679","0.002","26.25","0.003","90","","90","","90","","9824.2","1.8","173","","173","","","","","","","","","5","P 2 2 2","P 2 2","16","","","","- C50.5 H113 Ag21 Cl5 S12 -","- C50.5 H113 Ag21 Cl5 S12 -","- C202 H452 Ag84 Cl20 S48 -","4","1","","Chen, Tao; Yang, Sha; Song, Yongbo; Chai, Jinsong; Li, Qinzhen; Ma, Xiangyu; Li, Guang; Yu, Haizhu; Zhu, Manzhou","All-thiolate-stabilized Ag<sub>42</sub> nanocluster with a tetrahedral kernel and its transformation to an Ag<sub>61</sub> nanocluster with a bi-tetrahedral kernel.","Chemical communications (Cambridge, England)","2020","56","55","7605","7608","10.1039/d0cc02537b","","","0.71073","MoKα","","0.1157","0.0866","","","0.2111","0.2415","","","","","","1.029","","","","has coordinates,has disorder","254862","2020-10-21","18:00:00",""
"7126631","22.088","0.011","39.696","0.019","39.85","0.02","90","","90","","90","","34941","3","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C242 H444 Ag61 Cl5 S40 -","- C242 H439 Ag61 Cl5 S40 -","- C968 H1756 Ag244 Cl20 S160 -","4","1","","Chen, Tao; Yang, Sha; Song, Yongbo; Chai, Jinsong; Li, Qinzhen; Ma, Xiangyu; Li, Guang; Yu, Haizhu; Zhu, Manzhou","All-thiolate-stabilized Ag<sub>42</sub> nanocluster with a tetrahedral kernel and its transformation to an Ag<sub>61</sub> nanocluster with a bi-tetrahedral kernel.","Chemical communications (Cambridge, England)","2020","56","55","7605","7608","10.1039/d0cc02537b","","","0.71073","MoKα","","0.1429","0.0897","","","0.216","0.2502","","","","","","1.085","","","","has coordinates","254862","2020-10-21","18:00:00",""
"7126632","9.346","0.002","12.963","0.003","13.931","0.004","104.993","0.009","99.436","0.01","97.9","0.009","1579.3","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","ethyl 1-phenylpyrazolo[1,5-c]quinazoline-2-carboxylate","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C76 H60 N12 O8 -","4","2","","Liu, Lu; Li, Lei; Mao, Shukuan; Wang, Xin; Zhou, Ming-Dong; Zhao, Yu-Long; Wang, He","Synthesis of pyrazolo[1,5-c]quinazoline derivatives through the copper-catalyzed domino reaction of o-alkenyl aromatic isocyanides with diazo compounds.","Chemical communications (Cambridge, England)","2020","56","55","7665","7668","10.1039/d0cc00594k","","","0.71073","MoKα","","0.1647","0.0818","","","0.1788","0.2228","","","","","","1.037","","","","has coordinates","292638","2024-06-28","09:33:36",""
"7126634","7.9823","0.0008","13.9805","0.0014","24.662","0.003","90","","90","","90","","2752.2","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H39 Br F12 N6 P2 -","- C17 H39 Br F12 N6 P2 -","- C68 H156 Br4 F48 N24 P8 -","4","1","","Shircliff, Anthony D.; Burke, Benjamin P.; Davilla, Dustin J.; Burgess, Gwendolyn E.; Okorocha, Faith A.; Shrestha, Alina; Allbritton, Elisabeth M. A.; Nguyen, Phillip T.; Lamar, Rachael L.; Jones, Donald G.; Gorbet, Michael-Joseph; Allen, Michael B.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Archibald, Stephen J.; Prior, Timothy J.; Krause, Jeanette A.; Oliver, Allen G.; Hubin, Timothy J.","An ethylene cross-bridged pentaazamacrocycle and its Cu<sup>2+</sup> complex: constrained ligand topology and excellent kinetic stability.","Chemical communications (Cambridge, England)","2020","56","54","7519","7522","10.1039/d0cc00919a","","","0.7749","synchrotron","","0.0486","0.0411","","","0.1072","0.1105","","","","","","1.069","","","","has coordinates","254915","2020-10-21","18:00:00",""
"7126635","8.8067","0.0014","15.792","0.002","14.03","0.002","90","","90.357","0.004","90","","1951.2","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H33 Cl2 Cu N5 O1.79 -","- C15 H33 Cl1.999 Cu N5 O1.792 -","- C60 H132 Cl7.996 Cu4 N20 O7.168 -","4","1","","Shircliff, Anthony D.; Burke, Benjamin P.; Davilla, Dustin J.; Burgess, Gwendolyn E.; Okorocha, Faith A.; Shrestha, Alina; Allbritton, Elisabeth M. A.; Nguyen, Phillip T.; Lamar, Rachael L.; Jones, Donald G.; Gorbet, Michael-Joseph; Allen, Michael B.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Archibald, Stephen J.; Prior, Timothy J.; Krause, Jeanette A.; Oliver, Allen G.; Hubin, Timothy J.","An ethylene cross-bridged pentaazamacrocycle and its Cu<sup>2+</sup> complex: constrained ligand topology and excellent kinetic stability.","Chemical communications (Cambridge, England)","2020","56","54","7519","7522","10.1039/d0cc00919a","","","0.7749","synchrotron","","0.1734","0.0787","","","0.1748","0.2109","","","","","","1.042","","","","has coordinates,has disorder","254915","2020-10-21","18:00:00",""
"7126636","16.5537","0.0009","18.04","0.0009","15.0137","0.0007","90","","97.514","0.002","90","","4445","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15.62 H35.5 I2 N5 O1.62 -","- C15.625 H35.5 I2 N5 O1.625 -","- C125 H284 I16 N40 O13 -","8","1","","Shircliff, Anthony D.; Burke, Benjamin P.; Davilla, Dustin J.; Burgess, Gwendolyn E.; Okorocha, Faith A.; Shrestha, Alina; Allbritton, Elisabeth M. A.; Nguyen, Phillip T.; Lamar, Rachael L.; Jones, Donald G.; Gorbet, Michael-Joseph; Allen, Michael B.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Archibald, Stephen J.; Prior, Timothy J.; Krause, Jeanette A.; Oliver, Allen G.; Hubin, Timothy J.","An ethylene cross-bridged pentaazamacrocycle and its Cu<sup>2+</sup> complex: constrained ligand topology and excellent kinetic stability.","Chemical communications (Cambridge, England)","2020","56","54","7519","7522","10.1039/d0cc00919a","","","0.7288","synchrotron","","0.0307","0.0258","","","0.0532","0.056","","","","","","1.076","","","","has coordinates,has disorder","254915","2020-10-21","18:00:00",""
"7126637","8.768","0.007","9.173","0.007","10.452","0.008","89.574","0.009","84.573","0.009","78.861","0.009","821.1","1.1","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 F N2 -","- C21 H15 F N2 -","- C42 H30 F2 N4 -","2","1","","Zhu, Zhongzhi; Lin, Hanze; Liang, Baihui; Huang, Junjie; Liang, Wanyi; Chen, Lu; Huang, Yubing; Chen, Xiuwen; Li, Yibiao","Copper-catalyzed [2+3]-annulation of N-H imines with vinyl azides: access to polyaryl 2H-imidazoles.","Chemical communications (Cambridge, England)","2020","56","42","5621","5624","10.1039/c9cc10042c","","","0.71073","MoKα","","0.0829","0.0491","","","0.1219","0.1401","","","","","","1.017","","","","has coordinates","252645","2020-10-21","18:00:00",""
"7126638","10.8241","0.0006","18.2147","0.0009","32.3647","0.0017","102.209","0.004","97.728","0.004","104.498","0.005","5918.4","0.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H70 Au F6 N6 O6 P -","- C60 H70 Au F6 N6 O6 P -","- C240 H280 Au4 F24 N24 O24 P4 -","4","2","","Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Dunsky, Evie Y.; Lynch, Vincent M.; He, Xiao-Peng; Sessler, Jonathan L.; Arambula, Jonathan F.","Toward multifunctional anticancer therapeutics: post-synthetic carbonate functionalisation of asymmetric Au(i) bis-N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2020","56","57","7877","7880","10.1039/d0cc03339a","","","0.97741","synchrotron","","0.1414","0.1301","","","0.3272","0.338","","","","","","1.718","","","","has coordinates,has disorder","254891","2020-10-21","18:00:00",""
"7126639","16.4786","0.0001","22.1586","0.0001","27.4653","0.0002","90","","90","","90","","10028.8","0.11","99.9","0.2","99.9","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H60 Au F6 N4 O3 P -","- C52 H60 Au F6 N4 O3 P -","- C416 H480 Au8 F48 N32 O24 P8 -","8","1","","Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Dunsky, Evie Y.; Lynch, Vincent M.; He, Xiao-Peng; Sessler, Jonathan L.; Arambula, Jonathan F.","Toward multifunctional anticancer therapeutics: post-synthetic carbonate functionalisation of asymmetric Au(i) bis-N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2020","56","57","7877","7880","10.1039/d0cc03339a","","x-ray","1.54184","CuKα","","0.032","0.0298","","","0.0806","0.0836","","","","","","1.047","","","","has coordinates","254891","2020-10-21","18:00:00",""
"7126640","17.129","0.004","14.925","0.003","19.946","0.004","90","","107.13","0.005","90","","4873","1.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H62 Au F6 N4 O3 P -","- C50 H62 Au F6 N4 O3 P -","- C200 H248 Au4 F24 N16 O12 P4 -","4","1","","Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Dunsky, Evie Y.; Lynch, Vincent M.; He, Xiao-Peng; Sessler, Jonathan L.; Arambula, Jonathan F.","Toward multifunctional anticancer therapeutics: post-synthetic carbonate functionalisation of asymmetric Au(i) bis-N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2020","56","57","7877","7880","10.1039/d0cc03339a","","","0.71073","MoKα","","0.0634","0.0368","","","0.0764","0.0845","","","","","","1.016","","","","has coordinates,has disorder","254891","2020-10-21","18:00:00",""
"7126641","8.547","0.003","10.078","0.004","10.245","0.004","92.009","0.007","106.09","0.006","100.898","0.006","829","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 I N5 -","- C18 H10 I N5 -","- C36 H20 I2 N10 -","2","1","","Zou, Long; Wang, Lei; Sun, Li; Xie, Xiaofei; Li, Pinhua","Photo-driven haloazidation cyclization of 1,5-enynes having cyano groups with TMSN<sub>3</sub> and NIS/NCS/NBS under metal-free conditions.","Chemical communications (Cambridge, England)","2020","56","57","7933","7936","10.1039/d0cc02471f","","","0.71073","MoKα","","0.0343","0.0303","","","0.0705","0.0719","","","","","","1.08","","","","has coordinates","254882","2020-10-21","18:00:00",""
"7126642","13.1742","0.0003","26.8362","0.0006","18.2963","0.0003","90","","90.747","0.002","90","","6468","0.2","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H60 Cl6 Fe2 P4 Rh2 -","- C71 H60 Cl6 Fe2 P4 Rh2 -","- C284 H240 Cl24 Fe8 P16 Rh8 -","4","1","","Barnett, Harrison J.; Hill, Anthony F.","Halogenation of A-frame μ-carbido complexes: a diamagnetic rhodium(ii) carbido complex.","Chemical communications (Cambridge, England)","2020","56","56","7738","7740","10.1039/d0cc02349c","","x-ray","0.71073","MoKα","","0.074","0.048","","","0.0975","0.1091","","","","","","1.103","","","","has coordinates,has disorder","254880","2020-10-21","18:00:00",""
"7126643","13.1949","0.0004","31.055","0.0006","40.4621","0.0007","90","","90","","90","","16580.1","0.7","150","0.1","150","0.1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C34.5 H28 Cl2 Fe P2 Rh -","- C34.5 H28 Cl2 Fe P2 Rh -","- C552 H448 Cl32 Fe16 P32 Rh16 -","16","0.5","","Barnett, Harrison J.; Hill, Anthony F.","Halogenation of A-frame μ-carbido complexes: a diamagnetic rhodium(ii) carbido complex.","Chemical communications (Cambridge, England)","2020","56","56","7738","7740","10.1039/d0cc02349c","","x-ray","1.54184","CuKα","","0.0486","0.0463","","","0.136","0.139","","","","","","1.084","","","","has coordinates","254880","2020-10-21","18:00:00",""
"7126644","7.3978","0.0002","17.6152","0.0004","18.2995","0.0005","98.202","0.001","99.446","0.001","90.544","0.001","2326.96","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H32 O6 -","- C26 H32 O6 -","- C104 H128 O24 -","4","2","","Barnes, Timothy H.; Johnson, Kara F.; Gorden, John D.; Merner, Bradley L.","A macrocycle directed total synthesis of di-O-methylendiandrin A.","Chemical communications (Cambridge, England)","2020","56","62","8747","8749","10.1039/d0cc03302b","","","1.54178","CuKα","","0.0379","0.034","","","0.0846","0.088","","","","","","1.021","","","","has coordinates","256003","2020-10-21","18:00:00",""
"7126645","41.915","0.003","9.9907","0.0009","26.883","0.002","90","","116.974","0.005","90","","10032.9","1.4","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(E)-3-((E)-3-(4-((4'-(bis(4-methoxyphenyl)amino)-[1,1'-biphenyl]-4-yl)methyl)piperazin-1-yl)-1,3-diphenylallylidene)-1-tosylindolin-2-one","","- C61 H54 N4 O5 S -","- C61 H54 N4 O5 S -","- C488 H432 N32 O40 S8 -","8","1","","Denißen, Melanie; Hannen, Ricarda; Itskalov, Dana; Biesen, Lukas; Nirmalananthan-Budau, Nithiya; Hoffmann, Katrin; Reiss, Guido J.; Resch-Genger, Ute; Müller, Thomas J J","One-pot synthesis of a white-light emissive bichromophore operated by aggregation-induced dual emission (AIDE) and partial energy transfer.","Chemical communications (Cambridge, England)","2020","56","54","7407","7410","10.1039/d0cc03451g","","","1.54178","CuKα","","0.0775","0.0485","","","0.1032","0.1169","","","","","","1.096","","","","has coordinates","254919","2020-10-21","18:00:00",""
"7126646","10.6908","0.0009","11.1997","0.0013","14.8988","0.0016","93.513","0.009","110.671","0.009","113.518","0.01","1487.3","0.3","294.97","0.1","294.97","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cl N O3 -","- C16 H16 Cl N O3 -","- C64 H64 Cl4 N4 O12 -","4","2","","Dong, Kui; Jin, Xiao-Ling; Chen, Shihao; Wu, Li-Zhu; Liu, Qiang","Controllable synthesis of 2- and 3-aryl-benzomorpholines from 2-aminophenols and 4-vinylphenols.","Chemical communications (Cambridge, England)","2020","56","57","7941","7944","10.1039/d0cc02662j","","","0.71073","MoKα","","0.1084","0.061","","","0.1329","0.1678","","","","","","1.042","","","","has coordinates","296876","2024-12-16","17:34:43",""
"7126647","8.5657","0.0006","9.2244","0.0004","19.2955","0.001","90","","100.946","0.005","90","","1496.87","0.15","294.85","0.1","294.85","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl N O3 -","- C16 H16 Cl N O3 -","- C64 H64 Cl4 N4 O12 -","4","1","","Dong, Kui; Jin, Xiao-Ling; Chen, Shihao; Wu, Li-Zhu; Liu, Qiang","Controllable synthesis of 2- and 3-aryl-benzomorpholines from 2-aminophenols and 4-vinylphenols.","Chemical communications (Cambridge, England)","2020","56","57","7941","7944","10.1039/d0cc02662j","","","0.71073","MoKα","","0.0751","0.0487","","","0.1047","0.1257","","","","","","1.05","","","","has coordinates","254885","2020-10-21","18:00:00",""
"7126648","8.9718","0.0003","14.0281","0.0004","17.394","0.0006","81.344","0.003","82.327","0.003","74.196","0.003","2072.54","0.12","130","2","130","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H46 B2 F8 N4 Ni O9 P4 -","- C29 H46 B2 F8 N4 Ni O9 P4 -","- C58 H92 B4 F16 N8 Ni2 O18 P8 -","2","1","","Hanf, Schirin; Grell, Toni; Waters, Jessica E.; García-Rodríguez, Raúl; Hey-Hawkins, Evamarie; Wright, Dominic S.","Facile synthesis of a nickel(0) phosphine complex at ambient temperature.","Chemical communications (Cambridge, England)","2020","56","57","7893","7896","10.1039/d0cc02142c","","","0.71073","MoKα","","0.0725","0.0505","","","0.1248","0.1384","","","","","","1.019","","","","has coordinates,has disorder","254890","2020-10-21","18:00:00",""
"7126649","13.9432","0.0004","14.8675","0.0003","21.0174","0.0005","90","","109.024","0.003","90","","4118.95","0.19","343","","343","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C64 H88 N36 Re4 -","- C64 H88 N36 Re4 -","- C128 H176 N72 Re8 -","2","0.5","","Yanagisawa, Junichi; Hiraoka, Tomoaki; Kobayashi, Fumiya; Saito, Daisuke; Yoshida, Masaki; Kato, Masako; Takeiri, Fumitaka; Kobayashi, Genki; Ohba, Masaaki; Lindoy, Leonard F.; Ohtani, Ryo; Hayami, Shinya","Luminescent ionic liquid formed from a melted rhenium(v) cluster.","Chemical communications (Cambridge, England)","2020","56","57","7957","7960","10.1039/d0cc02937h","","","0.71075","MoKα","","0.0655","0.0411","","","0.0853","0.1054","","","","","","1.194","","","","has coordinates,has disorder","254888","2020-10-21","18:00:00",""
"7126650","13.7177","0.0002","14.6965","0.0002","20.9142","0.0004","90","","108.894","0.002","90","","3989.17","0.12","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","EmImRe_173K","","- C64 H88 N36 Re4 -","- C64 H88 N36 Re4 -","- C128 H176 N72 Re8 -","2","0.5","","Yanagisawa, Junichi; Hiraoka, Tomoaki; Kobayashi, Fumiya; Saito, Daisuke; Yoshida, Masaki; Kato, Masako; Takeiri, Fumitaka; Kobayashi, Genki; Ohba, Masaaki; Lindoy, Leonard F.; Ohtani, Ryo; Hayami, Shinya","Luminescent ionic liquid formed from a melted rhenium(v) cluster.","Chemical communications (Cambridge, England)","2020","56","57","7957","7960","10.1039/d0cc02937h","","","0.71075","MoKα","","0.0419","0.027","","","0.0589","0.0836","","","","","","1.2","","","","has coordinates","254888","2020-10-21","18:00:00",""
"7126651","14.0768","0.0015","14.8467","0.0016","20.953","0.002","90","","109.516","0.001","90","","4127.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","EmImRe_H2O_100K","","- C64 H84 N36 O4 Re4 -","- C64 H92 N36 O4 Re4 -","- C128 H184 N72 O8 Re8 -","2","0.5","","Yanagisawa, Junichi; Hiraoka, Tomoaki; Kobayashi, Fumiya; Saito, Daisuke; Yoshida, Masaki; Kato, Masako; Takeiri, Fumitaka; Kobayashi, Genki; Ohba, Masaaki; Lindoy, Leonard F.; Ohtani, Ryo; Hayami, Shinya","Luminescent ionic liquid formed from a melted rhenium(v) cluster.","Chemical communications (Cambridge, England)","2020","56","57","7957","7960","10.1039/d0cc02937h","","","0.71073","MoKα","","0.0275","0.0254","","","0.0641","0.0651","","","","","","1.063","","","","has coordinates,has disorder","254888","2020-10-21","18:00:00",""
"7126652","14.829","0.012","5.526","0.005","18.143","0.011","90","","127.47","0.04","90","","1180","1.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 Cl F N O4 S2 -","- C7 H13 Cl F N O4 S2 -","- C28 H52 Cl4 F4 N4 O16 S8 -","4","1","","Li, Chen; Zheng, Yujie; Rakesh, K. P.; Qin, Hua-Li","But-3-ene-1,3-disulfonyl difluoride (BDF): a highly selective SuFEx clickable hub for the quick assembly of sultam-containing aliphatic sulfonyl fluorides.","Chemical communications (Cambridge, England)","2020","56","58","8075","8078","10.1039/d0cc03248d","","","0.71073","MoKα","","0.1001","0.0779","","","0.1805","0.193","","","","","","1.089","","","","has coordinates","254868","2020-10-21","18:00:00",""
"7126653","12.6609","0.0011","10.4865","0.0009","9.8417","0.0008","90","","97.188","0.002","90","","1296.4","0.19","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 F N O4 S2 -","- C8 H16 F N O4 S2 -","- C32 H64 F4 N4 O16 S8 -","4","1","","Li, Chen; Zheng, Yujie; Rakesh, K. P.; Qin, Hua-Li","But-3-ene-1,3-disulfonyl difluoride (BDF): a highly selective SuFEx clickable hub for the quick assembly of sultam-containing aliphatic sulfonyl fluorides.","Chemical communications (Cambridge, England)","2020","56","58","8075","8078","10.1039/d0cc03248d","","","0.71073","MoKα","","0.0774","0.0483","","","0.1216","0.1404","","","","","","1.071","","","","has coordinates,has disorder","254868","2020-10-21","18:00:00",""
"7126654","14.0641","0.0012","9.2583","0.0008","12.1126","0.0011","90","","102.973","0.003","90","","1536.9","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 F N2 O5 S2 -","- C12 H15 F N2 O5 S2 -","- C48 H60 F4 N8 O20 S8 -","4","1","","Li, Chen; Zheng, Yujie; Rakesh, K. P.; Qin, Hua-Li","But-3-ene-1,3-disulfonyl difluoride (BDF): a highly selective SuFEx clickable hub for the quick assembly of sultam-containing aliphatic sulfonyl fluorides.","Chemical communications (Cambridge, England)","2020","56","58","8075","8078","10.1039/d0cc03248d","","","0.71073","MoKα","","0.0954","0.0561","","","0.1493","0.1842","","","","","","1.095","","","","has coordinates","254868","2020-10-21","18:00:00",""
"7126655","11.5596","0.0006","16.1768","0.0009","12.4775","0.0008","90","","95.002","0.006","90","","2324.4","0.2","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 F3 N3 O3 S -","- C20 H36 F3 N3 O3 S -","- C80 H144 F12 N12 O12 S4 -","4","1","","Mandal, Debdeep; Stein, Felix; Chandra, Shubhadeep; Neuman, Nicolás I; Sarkar, Pallavi; Das, Shubhajit; Kundu, Abhinanda; Sarkar, Arighna; Rawat, Hemant; Pati, Swapan K.; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Trisubstituted geminal diazaalkene derived transient 1,2-carbodications.","Chemical communications (Cambridge, England)","2020","56","59","8233","8236","10.1039/d0cc02807j","","x-ray","0.71073","MoKα","","0.1269","0.1055","","","0.2703","0.2841","","","","","","1.071","","","","has coordinates,has disorder","254911","2020-10-21","18:00:00",""
"7126656","15.1826","0.0009","8.4655","0.0005","16.3019","0.001","90","","108.622","0.006","90","","1985.6","0.2","120.02","0.1","120.02","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H37 N3 -","- C20 H37 N3 -","- C80 H148 N12 -","4","1","","Mandal, Debdeep; Stein, Felix; Chandra, Shubhadeep; Neuman, Nicolás I; Sarkar, Pallavi; Das, Shubhajit; Kundu, Abhinanda; Sarkar, Arighna; Rawat, Hemant; Pati, Swapan K.; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Trisubstituted geminal diazaalkene derived transient 1,2-carbodications.","Chemical communications (Cambridge, England)","2020","56","59","8233","8236","10.1039/d0cc02807j","","x-ray","0.71073","MoKα","","0.1097","0.0776","","","0.1949","0.2127","","","","","","1.051","","","","has coordinates,has disorder","254911","2020-10-21","18:00:00",""
"7126657","17.893","0.0006","8.3124","0.0002","19.3921","0.0006","90","","107.751","0.004","90","","2746.94","0.15","119.99","0.1","119.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 F6 N3 O6 S2 -","- C21 H35 F6 N3 O6 S2 -","- C84 H140 F24 N12 O24 S8 -","4","1","","Mandal, Debdeep; Stein, Felix; Chandra, Shubhadeep; Neuman, Nicolás I; Sarkar, Pallavi; Das, Shubhajit; Kundu, Abhinanda; Sarkar, Arighna; Rawat, Hemant; Pati, Swapan K.; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Trisubstituted geminal diazaalkene derived transient 1,2-carbodications.","Chemical communications (Cambridge, England)","2020","56","59","8233","8236","10.1039/d0cc02807j","","x-ray","0.71073","MoKα","","0.05","0.0394","","","0.0935","0.0986","","","","","","1.066","","","","has coordinates","254911","2020-10-21","18:00:00",""
"7126658","8.571","0.0017","6.972","0.0014","21.017","0.004","90","","90","","90","","1255.9","0.4","119.98","0.1","119.98","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H15 F3 N2 O3 S -","- C9 H15 F3 N2 O3 S -","- C36 H60 F12 N8 O12 S4 -","4","0.5","","Mandal, Debdeep; Stein, Felix; Chandra, Shubhadeep; Neuman, Nicolás I; Sarkar, Pallavi; Das, Shubhajit; Kundu, Abhinanda; Sarkar, Arighna; Rawat, Hemant; Pati, Swapan K.; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Trisubstituted geminal diazaalkene derived transient 1,2-carbodications.","Chemical communications (Cambridge, England)","2020","56","59","8233","8236","10.1039/d0cc02807j","","x-ray","0.71073","MoKα","","0.0491","0.0441","","","0.1276","0.131","","","","","","1.067","","","","has coordinates","254911","2020-10-21","18:00:00",""
"7126659","8.2515","0.0002","15.1873","0.0005","20.33","0.0005","81.547","0.002","87.795","0.002","80.681","0.002","2486.5","0.12","119.96","0.1","119.96","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H58 F12 N6 O12 S4 -","- C36 H58 F12 N6 O12 S4 -","- C72 H116 F24 N12 O24 S8 -","2","1","","Mandal, Debdeep; Stein, Felix; Chandra, Shubhadeep; Neuman, Nicolás I; Sarkar, Pallavi; Das, Shubhajit; Kundu, Abhinanda; Sarkar, Arighna; Rawat, Hemant; Pati, Swapan K.; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Trisubstituted geminal diazaalkene derived transient 1,2-carbodications.","Chemical communications (Cambridge, England)","2020","56","59","8233","8236","10.1039/d0cc02807j","","x-ray","0.71073","MoKα","","0.0682","0.054","","","0.137","0.1445","","","","","","1.028","","","","has coordinates","254911","2020-10-21","18:00:00",""
"7126660","7.4452","0.0004","18.8437","0.0009","21.3251","0.001","90","","90","","90","","2991.8","0.3","185.84","0.1","185.84","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H46 F3 N3 O3 S -","- C29 H46 F3 N3 O3 S -","- C116 H184 F12 N12 O12 S4 -","4","1","","Mandal, Debdeep; Stein, Felix; Chandra, Shubhadeep; Neuman, Nicolás I; Sarkar, Pallavi; Das, Shubhajit; Kundu, Abhinanda; Sarkar, Arighna; Rawat, Hemant; Pati, Swapan K.; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Trisubstituted geminal diazaalkene derived transient 1,2-carbodications.","Chemical communications (Cambridge, England)","2020","56","59","8233","8236","10.1039/d0cc02807j","","x-ray","0.71073","MoKα","","0.0419","0.0377","","","0.0925","0.0945","","","","","","1.047","","","","has coordinates","254911","2020-10-21","18:00:00",""
"7126661","9.3281","0.0005","23.912","0.0012","11.1067","0.0006","90","","111.055","0.006","90","","2312","0.2","119.98","0.1","119.98","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H34 F3 N3 O3 S -","- C20 H34 F3 N3 O3 S -","- C80 H136 F12 N12 O12 S4 -","4","1","","Mandal, Debdeep; Stein, Felix; Chandra, Shubhadeep; Neuman, Nicolás I; Sarkar, Pallavi; Das, Shubhajit; Kundu, Abhinanda; Sarkar, Arighna; Rawat, Hemant; Pati, Swapan K.; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Trisubstituted geminal diazaalkene derived transient 1,2-carbodications.","Chemical communications (Cambridge, England)","2020","56","59","8233","8236","10.1039/d0cc02807j","","x-ray","0.71073","MoKα","","0.0534","0.0388","","","0.0898","0.0945","","","","","","1.058","","","","has coordinates","254911","2020-10-21","18:00:00",""
"7126662","8.4819","0.0003","26.6123","0.0007","11.1305","0.0004","90","","104.586","0.004","90","","2431.44","0.15","119.99","0.1","119.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H38 F3 N3 O3 S -","- C21 H38 F3 N3 O3 S -","- C84 H152 F12 N12 O12 S4 -","4","1","","Mandal, Debdeep; Stein, Felix; Chandra, Shubhadeep; Neuman, Nicolás I; Sarkar, Pallavi; Das, Shubhajit; Kundu, Abhinanda; Sarkar, Arighna; Rawat, Hemant; Pati, Swapan K.; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Trisubstituted geminal diazaalkene derived transient 1,2-carbodications.","Chemical communications (Cambridge, England)","2020","56","59","8233","8236","10.1039/d0cc02807j","","x-ray","0.71073","MoKα","","0.0435","0.0368","","","0.094","0.0968","","","","","","1.047","","","","has coordinates","254911","2020-10-21","18:00:00",""
"7126663","11.4405","0.0006","19.999","0.0008","16.0796","0.0008","90","","107.195","0.005","90","","3514.6","0.3","120.03","0.1","120.03","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H45 F6 N3 O6 S2 -","- C30 H45 F6 N3 O6 S2 -","- C120 H180 F24 N12 O24 S8 -","4","1","","Mandal, Debdeep; Stein, Felix; Chandra, Shubhadeep; Neuman, Nicolás I; Sarkar, Pallavi; Das, Shubhajit; Kundu, Abhinanda; Sarkar, Arighna; Rawat, Hemant; Pati, Swapan K.; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Trisubstituted geminal diazaalkene derived transient 1,2-carbodications.","Chemical communications (Cambridge, England)","2020","56","59","8233","8236","10.1039/d0cc02807j","","x-ray","0.71073","MoKα","","0.0602","0.0438","","","0.1094","0.1153","","","","","","1.082","","","","has coordinates,has disorder","254911","2020-10-21","18:00:00",""
"7126664","9.409","0.0003","10.8582","0.0004","13.6751","0.0005","73.417","0.003","88.835","0.003","73.82","0.003","1283.31","0.08","119.96","0.1","119.96","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C28 H45 N3 -","- C28 H45 N3 -","- C56 H90 N6 -","2","1","","Mandal, Debdeep; Stein, Felix; Chandra, Shubhadeep; Neuman, Nicolás I; Sarkar, Pallavi; Das, Shubhajit; Kundu, Abhinanda; Sarkar, Arighna; Rawat, Hemant; Pati, Swapan K.; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Trisubstituted geminal diazaalkene derived transient 1,2-carbodications.","Chemical communications (Cambridge, England)","2020","56","59","8233","8236","10.1039/d0cc02807j","","x-ray","0.71073","MoKα","","0.0422","0.0378","","","0.0944","0.0974","","","","","","1.032","","","","has coordinates","254911","2020-10-21","18:00:00",""
"7126665","12.537","0.012","13.807","0.013","13.921","0.014","115.493","0.011","98.531","0.012","104.79","0.013","2009","3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H34 N2 O8 S2 -","- C39 H36.503 N2 O8 S2 -","- C78 H73.006 N4 O16 S4 -","2","1","","Tang, Bu-Zheng; Hao, Wen-Juan; Li, Jia-Zhuo; Zhu, Shan-Shan; Tu, Shu-Jiang; Jiang, Bo","Stereoselective synthesis of fully substituted ethylenes via an Ag-catalyzed 1,6-nucleophilic addition/annulation cascade.","Chemical communications (Cambridge, England)","2020","56","56","7749","7752","10.1039/c9cc10022a","","","0.71073","MoKα","","0.2756","0.1441","","","0.3298","0.3943","","","","","","0.9","","","","has coordinates,has disorder","254879","2020-10-21","18:00:00",""
"7126666","20.123","0.0011","20.4221","0.001","21.1299","0.0011","81.209","0.002","76.368","0.002","72.895","0.002","8032.9","0.7","90","","90","","","","","","","","","7","P -1","-P 1","2","(C24H18N2O4)(C24H32O8)2(C32H12BF24)2(CHCl3)3(MeOH)2(H2O)","","","- C141 H119 B2 Cl9 F48 N2 O23 -","- C140.999 H116.999 B2 Cl8.997 F48 N2 O23 -","- C281.998 H233.998 B4 Cl17.994 F96 N4 O46 -","2","1","","Sakata, Yoko; Ogura, Takaya; Akine, Shigehisa","Efficient formation of [3]pseudorotaxane based on cooperative complexation of dibenzo-24-crown-8 with diphenylviologen axle.","Chemical communications (Cambridge, England)","2020","56","62","8735","8738","10.1039/d0cc03131c","","","1.54178","CuKα","","0.081","0.0757","","","0.2182","0.2238","","","","","","1.045","","","","has coordinates,has disorder","256006","2020-10-21","18:00:00",""
"7126667","29.306","0.004","9.4752","0.0009","11.4635","0.0011","90","","90","","90","","3183.2","0.6","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","N-(tert-butyl)-N'-((4-nitrophenyl)sulfonyl)acetimidamide","","- C13 H14.5 N3.5 O4 S -","- C13 H17 N3.5 O4 S -","- C104 H136 N28 O32 S8 -","8","1","","Mishra, Debashish; Borah, Arun Jyoti; Phukan, Pinakinee; Hazarika, Debojit; Phukan, Prodeep","Unprecedented 1,3-tert-butyl migration via the C-N single bond scission of isonitrile: an expedient metal-free route to N-sulfonyl amidines.","Chemical communications (Cambridge, England)","2020","56","60","8408","8411","10.1039/d0cc02430a","","","0.71073","MoKα","","0.0418","0.0368","","","0.106","0.1205","","","","","","0.542","","","","has coordinates","254898","2020-10-21","18:00:00",""
"7126668","8.4114","0.0006","11.119","0.0008","17.6646","0.0011","90","","103.661","0.003","90","","1605.37","0.19","253","0.1","253","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 F4 I2 N2 -","- C12 H12 F4 I2 N2 -","- C48 H48 F16 I8 N8 -","4","0.5","","Arhangelskis, Mihails; Topić, Filip; Hindle, Poppy; Tran, Ricky; Morris, Andrew J.; Cinčić, Dominik; Friščić, Tomislav","Mechanochemical reactions of cocrystals: comparing theory with experiment in the making and breaking of halogen bonds in the solid state.","Chemical communications (Cambridge, England)","2020","56","59","8293","8296","10.1039/d0cc02935a","","x-ray","0.71073","MoKα","","0.0297","0.0215","","","0.0467","0.0504","","","","","","1.043","","","","has coordinates,has disorder","254902","2020-10-21","18:00:00",""
"7126669","7.5107","0.0005","12.8506","0.0008","13.4853","0.0009","94.235","0.002","102.514","0.002","102.883","0.002","1228.41","0.14","253","0.1","253","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 F8 I4 N2 -","- C18 H12 F8 I4 N2 -","- C36 H24 F16 I8 N4 -","2","1","","Arhangelskis, Mihails; Topić, Filip; Hindle, Poppy; Tran, Ricky; Morris, Andrew J.; Cinčić, Dominik; Friščić, Tomislav","Mechanochemical reactions of cocrystals: comparing theory with experiment in the making and breaking of halogen bonds in the solid state.","Chemical communications (Cambridge, England)","2020","56","59","8293","8296","10.1039/d0cc02935a","","x-ray","0.71073","MoKα","","0.0658","0.038","","","0.0769","0.0862","","","","","","1.03","","","","has coordinates,has disorder","254902","2020-10-21","18:00:00",""
"7126670","6.5273","0.0005","17.4784","0.0013","19.2084","0.0014","90","","90","","90","","2191.4","0.3","253","0.1","253","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 F4 I2 N4 -","- C18 H24 F4 I2 N4 -","- C72 H96 F16 I8 N16 -","4","1","","Arhangelskis, Mihails; Topić, Filip; Hindle, Poppy; Tran, Ricky; Morris, Andrew J.; Cinčić, Dominik; Friščić, Tomislav","Mechanochemical reactions of cocrystals: comparing theory with experiment in the making and breaking of halogen bonds in the solid state.","Chemical communications (Cambridge, England)","2020","56","59","8293","8296","10.1039/d0cc02935a","","x-ray","0.71073","MoKα","","0.0683","0.0465","","","0.0754","0.0809","","","","","","1.072","","","","has coordinates","254902","2020-10-21","18:00:00",""
"7126671","6.7231","0.0005","14.097","0.001","17.5147","0.0013","76.882","0.003","80.884","0.003","78.615","0.002","1573.6","0.2","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 F4 I2 N2 -","- C12 H12 F4 I2 N2 -","- C48 H48 F16 I8 N8 -","4","2","","Arhangelskis, Mihails; Topić, Filip; Hindle, Poppy; Tran, Ricky; Morris, Andrew J.; Cinčić, Dominik; Friščić, Tomislav","Mechanochemical reactions of cocrystals: comparing theory with experiment in the making and breaking of halogen bonds in the solid state.","Chemical communications (Cambridge, England)","2020","56","59","8293","8296","10.1039/d0cc02935a","","x-ray","1.54178","CuKα","","0.0686","0.0632","","","0.1806","0.1899","","","","","","1.061","","","","has coordinates","254902","2020-10-21","18:00:00",""
"7126672","8.0685","0.0011","8.5074","0.0008","10.8878","0.0013","93.111","0.009","96.047","0.01","91.869","0.009","741.55","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H15 N3 -","- C18 H15 N3 -","- C36 H30 N6 -","2","1","","Bao, Wen; Gao, Zhu-Peng; Jin, Da-Ping; Xue, Cao-Gen; Liang, Huan; Lei, Ling-Sheng; Xu, Xue-Tao; Zhang, Kun; Wang, Shao-Hua","Direct synthesis of 2-substituted benzonitriles via alkylcyanation of arynes with N,N-disubstituted aminomalononitriles.","Chemical communications (Cambridge, England)","2020","56","55","7641","7644","10.1039/d0cc01591a","","x-ray","1.54184","CuKα","","0.0466","0.041","","","0.1161","0.122","","","","","","1.064","","","","has coordinates","254865","2020-10-21","18:00:00",""
"7126673","8.4918","0.0005","10.0409","0.0005","16.7446","0.0007","90","","100.191","0.005","90","","1405.21","0.13","295.72","0.11","295.72","0.11","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N3 -","- C17 H13 N3 -","- C68 H52 N12 -","4","1","","Bao, Wen; Gao, Zhu-Peng; Jin, Da-Ping; Xue, Cao-Gen; Liang, Huan; Lei, Ling-Sheng; Xu, Xue-Tao; Zhang, Kun; Wang, Shao-Hua","Direct synthesis of 2-substituted benzonitriles via alkylcyanation of arynes with N,N-disubstituted aminomalononitriles.","Chemical communications (Cambridge, England)","2020","56","55","7641","7644","10.1039/d0cc01591a","","","0.71073","MoKα","","0.0839","0.0543","","","0.1212","0.1426","","","","","","1.085","","","","has coordinates","254865","2020-10-21","18:00:00",""
"7126674","8.271","0.0002","9.9844","0.0002","18.3806","0.0004","90","","102.74","0.002","90","","1480.52","0.06","293.1","0.2","293.1","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 -","- C18 H15 N3 -","- C72 H60 N12 -","4","1","","Bao, Wen; Gao, Zhu-Peng; Jin, Da-Ping; Xue, Cao-Gen; Liang, Huan; Lei, Ling-Sheng; Xu, Xue-Tao; Zhang, Kun; Wang, Shao-Hua","Direct synthesis of 2-substituted benzonitriles via alkylcyanation of arynes with N,N-disubstituted aminomalononitriles.","Chemical communications (Cambridge, England)","2020","56","55","7641","7644","10.1039/d0cc01591a","","","1.54184","CuKα","","0.0464","0.0433","","","0.1176","0.1215","","","","","","1.059","","","","has coordinates","254865","2020-10-21","18:00:00",""
"7126675","9.278","0.0004","23.2807","0.0007","7.4089","0.0003","90","","102.52","0.004","90","","1562.26","0.11","292.77","0.1","292.77","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C72 H60 N12 O4 -","4","1","","Bao, Wen; Gao, Zhu-Peng; Jin, Da-Ping; Xue, Cao-Gen; Liang, Huan; Lei, Ling-Sheng; Xu, Xue-Tao; Zhang, Kun; Wang, Shao-Hua","Direct synthesis of 2-substituted benzonitriles via alkylcyanation of arynes with N,N-disubstituted aminomalononitriles.","Chemical communications (Cambridge, England)","2020","56","55","7641","7644","10.1039/d0cc01591a","","","1.54184","CuKα","","0.0527","0.0454","","","0.1261","0.1337","","","","","","1.049","","","","has coordinates","254865","2020-10-21","18:00:00",""
"7126676","9.4411","0.0006","9.816","0.0007","22.436","0.0014","97.004","0.002","91.791","0.002","113.348","0.003","1887.5","0.2","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C37 H73 Mo2 -","- C37 H73 Mo2 -","- C74 H146 Mo4 -","2","1","","Ohki, Yasuhiro; Ishihara, Kodai; Yaoi, Moeko; Tada, Mizuki; Sameera, W. M. C.; Cramer, Roger E.","A dinuclear Mo<sub>2</sub>H<sub>8</sub> complex supported by bulky C<sub>5</sub>H<sub>2</sub><sup>t</sup>Bu<sub>3</sub> ligands.","Chemical communications (Cambridge, England)","2020","56","58","8035","8038","10.1039/d0cc03274c","","","0.71075","MoKα","","0.0201","0.0184","","","0.0522","0.0527","","","","","","1.064","","","","has coordinates","254867","2020-10-21","18:00:00",""
"7126677","8.443","0.002","26.099","0.006","9.924","0.003","90","","113.425","0.005","90","","2006.6","0.9","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H29 Cl4 Mo -","- C17 H29 Cl4 Mo -","- C68 H116 Cl16 Mo4 -","4","1","","Ohki, Yasuhiro; Ishihara, Kodai; Yaoi, Moeko; Tada, Mizuki; Sameera, W. M. C.; Cramer, Roger E.","A dinuclear Mo<sub>2</sub>H<sub>8</sub> complex supported by bulky C<sub>5</sub>H<sub>2</sub><sup>t</sup>Bu<sub>3</sub> ligands.","Chemical communications (Cambridge, England)","2020","56","58","8035","8038","10.1039/d0cc03274c","","","0.71075","MoKα","","0.0441","0.0267","","","0.0544","0.0569","","","","","","1.01","","","","has coordinates","254867","2020-10-21","18:00:00",""
"7126678","9.704","0.0018","15.687","0.0016","17.654","0.002","90","","97.336","0.007","90","","2665.4","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H43 K O6.5 -","- C24 H43 K O6.5 -","- C96 H172 K4 O26 -","4","1","","Ohki, Yasuhiro; Ishihara, Kodai; Yaoi, Moeko; Tada, Mizuki; Sameera, W. M. C.; Cramer, Roger E.","A dinuclear Mo<sub>2</sub>H<sub>8</sub> complex supported by bulky C<sub>5</sub>H<sub>2</sub><sup>t</sup>Bu<sub>3</sub> ligands.","Chemical communications (Cambridge, England)","2020","56","58","8035","8038","10.1039/d0cc03274c","","","0.71073","MoKα","","0.0811","0.0448","","","0.1189","0.1269","","","","","","0.833","","","","has coordinates","254867","2020-10-21","18:00:00",""
"7126679","10.038","0.002","13.927","0.003","18.546","0.004","99.992","0.004","105.254","0.004","94.41","0.004","2442.9","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H78 K Mo2 O8 -","- C47 H78 K Mo2 O8 -","- C94 H156 K2 Mo4 O16 -","2","1","","Ohki, Yasuhiro; Ishihara, Kodai; Yaoi, Moeko; Tada, Mizuki; Sameera, W. M. C.; Cramer, Roger E.","A dinuclear Mo<sub>2</sub>H<sub>8</sub> complex supported by bulky C<sub>5</sub>H<sub>2</sub><sup>t</sup>Bu<sub>3</sub> ligands.","Chemical communications (Cambridge, England)","2020","56","58","8035","8038","10.1039/d0cc03274c","","","0.71075","MoKα","","0.0733","0.0572","","","0.1499","0.162","","","","","","1.089","","","","has coordinates,has disorder","254867","2020-10-21","18:00:00",""
"7126680","21.34","0.004","19.875","0.003","19.984","0.003","90","","119.218","0.003","90","","7397","2","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C40 H64 Mo2 -","- C40 H64 Mo2 -","- C320 H512 Mo16 -","8","2","","Ohki, Yasuhiro; Ishihara, Kodai; Yaoi, Moeko; Tada, Mizuki; Sameera, W. M. C.; Cramer, Roger E.","A dinuclear Mo<sub>2</sub>H<sub>8</sub> complex supported by bulky C<sub>5</sub>H<sub>2</sub><sup>t</sup>Bu<sub>3</sub> ligands.","Chemical communications (Cambridge, England)","2020","56","58","8035","8038","10.1039/d0cc03274c","","","0.71073","MoKα","","0.0707","0.0504","","","0.1225","0.1321","","","","","","1.04","","","","has coordinates","254867","2020-10-21","18:00:00",""
"7126681","9.1221","0.0005","10.3996","0.0005","24.2182","0.0012","83.396","0.004","80.039","0.004","79.81","0.004","2218.7","0.2","173","0.14","173","0.14","","","","","","","","4","P -1","-P 1","2","","","","- C30 H26 O9 Si2 -","- C30 H26 O9 Si2 -","- C90 H78 O27 Si6 -","3","1.5","","Delmas, Luke C.; White, Andrew J. P.; Pugh, David; Evans, Arwyn; Isbell, Mark Antonin; Heng, Jerry Y. Y.; Lickiss, Paul D.; Davies, Robert P.","Stable metal-organic frameworks with low water affinity built from methyl-siloxane linkers.","Chemical communications (Cambridge, England)","2020","56","57","7905","7908","10.1039/d0cc01186j","","x-ray","0.71073","MoKα","","0.1515","0.0727","","","0.1551","0.1972","","","","","","1.013","","","","has coordinates","254881","2020-10-21","18:00:00",""
"7126682","17.2986","0.0005","30.7451","0.0006","27.021","0.0006","90","","90","","90","","14371","0.6","103","2","103","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C25.5 H35.5 N3.5 O10 Si Zr1.5 -","- C15 H11 O8.5 Si Zr1.5 -","- C240 H176 O136 Si16 Zr24 -","16","1","","Delmas, Luke C.; White, Andrew J. P.; Pugh, David; Evans, Arwyn; Isbell, Mark Antonin; Heng, Jerry Y. Y.; Lickiss, Paul D.; Davies, Robert P.","Stable metal-organic frameworks with low water affinity built from methyl-siloxane linkers.","Chemical communications (Cambridge, England)","2020","56","57","7905","7908","10.1039/d0cc01186j","","","0.71073","MoKα","","0.0963","0.0591","","","0.1665","0.1826","","","","","","1.014","","","","has coordinates","254881","2020-10-21","18:00:00",""
"7126683","17.2191","0.00016","30.6244","0.0002","27.1584","0.0003","90","","90","","90","","14321.3","0.2","100","2","100","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C24 H32 Hf1.5 N3 O9.5 Si -","- C15 H11 Hf1.5 O8.5 Si -","- C240 H176 Hf24 O136 Si16 -","16","1","","Delmas, Luke C.; White, Andrew J. P.; Pugh, David; Evans, Arwyn; Isbell, Mark Antonin; Heng, Jerry Y. Y.; Lickiss, Paul D.; Davies, Robert P.","Stable metal-organic frameworks with low water affinity built from methyl-siloxane linkers.","Chemical communications (Cambridge, England)","2020","56","57","7905","7908","10.1039/d0cc01186j","","","1.54184","CuKα","","0.0502","0.0495","","","0.1438","0.1446","","","","","","1.083","","","","has coordinates,has disorder","254881","2020-10-21","18:00:00",""
"7126684","9.2626","0.0005","10.0278","0.0006","12.623","0.0007","77.431","0.005","89.378","0.004","73.685","0.005","1096.71","0.11","293.63","0.13","293.63","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 N O5 S -","- C25 H19 N O5 S -","- C50 H38 N2 O10 S2 -","2","1","","Cheng, Bin; Zhang, Xinping; Li, Yuntong; Li, Hui; He, Yixuan; Li, Yun; Wang, Taimin; Zhai, Hongbin","Synthesis of indolizines from pyridinium 1,4-zwitterionic thiolates and α-functionalized bromoalkanes via a stepwise [(5+1)-1] pathway.","Chemical communications (Cambridge, England)","2020","56","60","8396","8399","10.1039/d0cc03446k","","x-ray","1.54184","CuKα","","0.0661","0.0593","","","0.1556","0.1637","","","","","","1.066","","","","has coordinates","254892","2020-10-21","18:00:00",""
"7126685","17.579","0.007","14.548","0.006","17.555","0.009","90","","92.35","0.008","90","","4486","3","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C56 H66 Co -","- C56 H66 Co -","- C224 H264 Co4 -","4","0.5","","Blundell, Toby J.; Taylor, Laurence J.; Valentine, Andrew J.; Lewis, William; Blake, Alexander J.; McMaster, Jonathan; Kays, Deborah L.","A transition metal-gallium cluster formed via insertion of ""GaI"".","Chemical communications (Cambridge, England)","2020","56","58","8139","8142","10.1039/d0cc03559a","","","0.71073","MoKα","","0.0876","0.0521","","","0.1308","0.1489","","","","","","0.998","","","","has coordinates","254871","2020-10-21","18:00:00",""
"7126686","12.2172","0.0002","30.7592","0.0005","16.4155","0.0003","90","","109.962","0.002","90","","5798.18","0.19","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H66 D6 Ga2 I4 -","- C62 H66 D6 Ga2 I4 -","- C248 H264 D24 Ga8 I16 -","4","1","","Blundell, Toby J.; Taylor, Laurence J.; Valentine, Andrew J.; Lewis, William; Blake, Alexander J.; McMaster, Jonathan; Kays, Deborah L.","A transition metal-gallium cluster formed via insertion of ""GaI"".","Chemical communications (Cambridge, England)","2020","56","58","8139","8142","10.1039/d0cc03559a","","","1.54184","CuKα","","0.0455","0.0352","","","0.0922","0.0972","","","","","","1.083","","","","has coordinates","254871","2020-10-21","18:00:00",""
"7126687","15.1817","0.0003","17.9327","0.0004","16.9613","0.0003","90","","91.9796","0.0018","90","","4614.94","0.16","120","2","120.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H66 Ga I -","- C56 H66 Ga I -","- C224 H264 Ga4 I4 -","4","1","","Blundell, Toby J.; Taylor, Laurence J.; Valentine, Andrew J.; Lewis, William; Blake, Alexander J.; McMaster, Jonathan; Kays, Deborah L.","A transition metal-gallium cluster formed via insertion of ""GaI"".","Chemical communications (Cambridge, England)","2020","56","58","8139","8142","10.1039/d0cc03559a","","x-ray","1.54184","CuKα","","0.0529","0.0484","","","0.1262","0.1315","","","","","","1.062","","","","has coordinates","254871","2020-10-21","18:00:00",""
"7126688","16.6877","0.0004","17.7466","0.0004","24.3929","0.0006","90","","90","","90","","7224","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H33 Co Ga3 I5 -","- C28 H33 Co Ga3 I5 -","- C224 H264 Co8 Ga24 I40 -","8","1","","Blundell, Toby J.; Taylor, Laurence J.; Valentine, Andrew J.; Lewis, William; Blake, Alexander J.; McMaster, Jonathan; Kays, Deborah L.","A transition metal-gallium cluster formed via insertion of ""GaI"".","Chemical communications (Cambridge, England)","2020","56","58","8139","8142","10.1039/d0cc03559a","","x-ray","1.54184","CuKα","","0.2575","0.2497","","","0.5893","0.5981","","","","","","2.777","","","","has coordinates,has disorder","288248","2023-12-12","12:55:28",""
"7126689","20.1625","0.0009","13.8708","0.0006","17.0402","0.0008","90","","101.025","0.005","90","","4677.7","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Co Ga4 I8 O -","- C32 H41 Co Ga4 I8 O -","- C128 H164 Co4 Ga16 I32 O4 -","4","1","","Blundell, Toby J.; Taylor, Laurence J.; Valentine, Andrew J.; Lewis, William; Blake, Alexander J.; McMaster, Jonathan; Kays, Deborah L.","A transition metal-gallium cluster formed via insertion of ""GaI"".","Chemical communications (Cambridge, England)","2020","56","58","8139","8142","10.1039/d0cc03559a","","","1.54184","CuKα","","0.1301","0.0922","","","0.2288","0.2667","","","","","","1.02","","","","has coordinates","254871","2020-10-21","18:00:00",""
"7126690","10.9146","0.0016","12.9032","0.0019","14.947","0.002","91.818","0.001","106.55","0.001","94.174","0.001","2009.4","0.5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H32 Cl2 Ir N3 O S2 -","- C52 H32 Cl2 Ir N3 O S2 -","- C104 H64 Cl4 Ir2 N6 O2 S4 -","2","1","","Lai, Po-Ni; Yoon, Sungwon; Teets, Thomas S.","Efficient near-infrared luminescence from bis-cyclometalated iridium(iii) complexes with rigid quinoline-derived ancillary ligands.","Chemical communications (Cambridge, England)","2020","56","62","8754","8757","10.1039/d0cc02745f","","","0.71073","MoKα","","0.0511","0.0377","","","0.086","0.092","","","","","","1.056","","","","has coordinates,has disorder","256005","2020-10-21","18:00:00",""
"7126691","11.6553","0.0005","17.7049","0.0007","21.3456","0.0009","90","","98.312","0.001","90","","4358.5","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H30 Ir N3 O2 S2 -","- C52 H30 Ir N3 O2 S2 -","- C208 H120 Ir4 N12 O8 S8 -","4","1","","Lai, Po-Ni; Yoon, Sungwon; Teets, Thomas S.","Efficient near-infrared luminescence from bis-cyclometalated iridium(iii) complexes with rigid quinoline-derived ancillary ligands.","Chemical communications (Cambridge, England)","2020","56","62","8754","8757","10.1039/d0cc02745f","","","0.71073","MoKα","","0.0375","0.0294","","","0.0728","0.076","","","","","","1.027","","","","has coordinates","256005","2020-10-21","18:00:00",""
"7126692","23.678","0.0005","11.5222","0.0002","26.8116","0.0006","90","","113.661","0.001","90","","6699.9","0.2","170","2","170.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Br F3 N3 -","- C18 H13 Br F3 N3 -","- C288 H208 Br16 F48 N48 -","16","4","","Li, Deng-Yuan; Chen, Jia-Yan; Feng, Da-Fu; Chen, Shuang; Xu, Xian-Kuan; Dang, Li; Liu, Pei-Nian","Construction of multiple bonds via a domino reaction of trifluoroacetimidoyl nitriles with in situ generated bis-nucleophiles.","Chemical communications (Cambridge, England)","2020","56","59","8222","8225","10.1039/d0cc02398a","","","1.34139","GaKα","","0.1058","0.0566","","","0.1043","0.1248","","","","","","1.01","","","","has coordinates","254910","2020-10-21","18:00:00",""
"7126693","18.477","0.003","17.976","0.003","17.533","0.003","90","","117.21","0.02","90","","5179","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H23 Li2 N5 O18 Zn2 -","- C40 H18 Li2 N5 O18 Zn2 -","- C160 H72 Li8 N20 O72 Zn8 -","4","0.5","","Sapianik, Aleksandr A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Barsukova, Marina O.; Dybtsev, Danil N.; Fedin, Vladimir P.","Exceptionally effective benzene/cyclohexane separation using a nitro-decorated metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","59","8241","8244","10.1039/d0cc03227a","","","0.79312","synchrotron","","0.0958","0.087","","","0.2617","0.2702","","","","","","1.04","","","","has coordinates,has disorder","254903","2020-10-21","18:00:00",""
"7126694","4.1678","0.0004","10.6544","0.0009","14.6694","0.0012","73.012","0.007","84.892","0.007","78.774","0.008","610.7","0.1","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 I N3 O -","- C12 H12 I N3 O -","- C24 H24 I2 N6 O2 -","2","1","","Leggott, Abbie; Clarke, Justin E.; Chow, Shiao; Warriner, Stuart L.; O'Neill, Alex J; Nelson, Adam","Activity-directed expansion of a series of antibacterial agents.","Chemical communications (Cambridge, England)","2020","56","58","8047","8050","10.1039/d0cc02361b","","x-ray","1.54184","CuKα","","0.0337","0.0329","","","0.0868","0.088","","","","","","1.093","","","","has coordinates","254869","2020-10-21","18:00:00",""
"7126695","23.6941","0.0005","10.0307","0.0003","15.1078","0.0004","90","","93.655","0.002","90","","3583.34","0.16","99.95","0.1","99.95","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H49 Cl N2 P2 -","- C42 H49 Cl N2 P2 -","- C168 H196 Cl4 N8 P8 -","4","0.5","","Kroll, Alexander; Steinert, Henning; Scharf, Lennart T.; Scherpf, Thorsten; Mallick, Bert; Gessner, Viktoria H.","A diamino-substituted carbodiphosphorane as strong C-donor and weak N-donor: isolation of monomeric trigonal-planar L·ZnCl<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","58","8051","8054","10.1039/d0cc02496a","","x-ray","1.54184","CuKα","","0.0384","0.0344","","","0.0893","0.0927","","","","","","1.061","","","","has coordinates,has disorder","254866","2020-10-21","18:00:00",""
"7126696","10.2163","0.0004","32.6718","0.0011","10.7854","0.0005","90","","108.952","0.005","90","","3404.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H40 Cl3 In N2 P2 -","- C35 H40 Cl3 In N2 P2 -","- C140 H160 Cl12 In4 N8 P8 -","4","1","","Kroll, Alexander; Steinert, Henning; Scharf, Lennart T.; Scherpf, Thorsten; Mallick, Bert; Gessner, Viktoria H.","A diamino-substituted carbodiphosphorane as strong C-donor and weak N-donor: isolation of monomeric trigonal-planar L·ZnCl<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","58","8051","8054","10.1039/d0cc02496a","","","1.54184","CuKα","","0.0605","0.0537","","","0.1546","0.1595","","","","","","1.113","","","","has coordinates,has disorder","254866","2020-10-21","18:00:00",""
"7126697","15.26","0.002","9.5382","0.0011","20.529","0.003","90","","94.766","0.013","90","","2977.7","0.7","99.8","0.2","99.8","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H40 N2 P2 -","- C35 H40 N2 P2 -","- C140 H160 N8 P8 -","4","0.5","","Kroll, Alexander; Steinert, Henning; Scharf, Lennart T.; Scherpf, Thorsten; Mallick, Bert; Gessner, Viktoria H.","A diamino-substituted carbodiphosphorane as strong C-donor and weak N-donor: isolation of monomeric trigonal-planar L·ZnCl<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","58","8051","8054","10.1039/d0cc02496a","","x-ray","1.54178","CuKα","","0.0666","0.0618","","","0.1493","0.1517","","","","","","1.132","","","","has coordinates,has disorder","254866","2020-10-21","18:00:00",""
"7126698","10.22942","0.00016","18.88","0.0003","17.9216","0.0002","90","","104.045","0.0014","90","","3357.76","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H40 Cl3 Ga N2 P2 -","- C35 H40 Cl3 Ga N2 P2 -","- C140 H160 Cl12 Ga4 N8 P8 -","4","1","","Kroll, Alexander; Steinert, Henning; Scharf, Lennart T.; Scherpf, Thorsten; Mallick, Bert; Gessner, Viktoria H.","A diamino-substituted carbodiphosphorane as strong C-donor and weak N-donor: isolation of monomeric trigonal-planar L·ZnCl<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","58","8051","8054","10.1039/d0cc02496a","","x-ray","1.54184","CuKα","","0.0342","0.0325","","","0.0866","0.0879","","","","","","1.046","","","","has coordinates","254866","2020-10-21","18:00:00",""
"7126699","10.1005","0.0001","18.2003","0.0002","18.2051","0.0002","90","","96.883","0.001","90","","3322.56","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H40 Cl2 N2 P2 Zn -","- C35 H40 Cl2 N2 P2 Zn -","- C140 H160 Cl8 N8 P8 Zn4 -","4","1","","Kroll, Alexander; Steinert, Henning; Scharf, Lennart T.; Scherpf, Thorsten; Mallick, Bert; Gessner, Viktoria H.","A diamino-substituted carbodiphosphorane as strong C-donor and weak N-donor: isolation of monomeric trigonal-planar L·ZnCl<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","58","8051","8054","10.1039/d0cc02496a","","","1.54184","CuKα","","0.0332","0.0298","","","0.0788","0.0805","","","","","","1.09","","","","has coordinates","254866","2020-10-21","18:00:00",""
"7126700","14.0618","0.0002","16.9278","0.0003","19.7394","0.0003","88.863","0.001","89.772","0.001","77.86","0.001","4592.69","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H47 N2 O3 P2 Rh -","- C41 H47 N2 O3 P2 Rh -","- C164 H188 N8 O12 P8 Rh4 -","4","2","","Kroll, Alexander; Steinert, Henning; Scharf, Lennart T.; Scherpf, Thorsten; Mallick, Bert; Gessner, Viktoria H.","A diamino-substituted carbodiphosphorane as strong C-donor and weak N-donor: isolation of monomeric trigonal-planar L·ZnCl<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","58","8051","8054","10.1039/d0cc02496a","","x-ray","1.54184","CuKα","","0.045","0.042","","","0.1172","0.1198","","","","","","1.054","","","","has coordinates","294326","2024-09-02","09:37:26",""
"7126701","9.2495","0.0003","10.7934","0.0004","35.831","0.0011","90","","90","","90","","3577.1","0.2","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H29 F12 N5 O2 Os P2 -","- C36 H29 F12 N5 O2 Os P2 -","- C144 H116 F48 N20 O8 Os4 P8 -","4","1","","Wang, Guanghui; Zhou, Zijun; Shen, Xiang; Ivlev, Sergei; Meggers, Eric","Asymmetric catalysis with a chiral-at-osmium complex.","Chemical communications (Cambridge, England)","2020","56","56","7714","7717","10.1039/d0cc03280h","","","0.71073","MoKα","","0.0491","0.0411","","","0.0674","0.0692","","","","","","1.108","","","","has coordinates,has disorder","254875","2020-10-21","18:00:00",""
"7126702","14.2056","0.0008","15.5349","0.0009","16.0807","0.0009","70.816","0.002","78.674","0.002","76.497","0.002","3231.2","0.3","100","","100","","","","","","","","","7","P 1","P 1","1","","","","- C29 H23 F12 N5 O Os P2 -","- C29 H23 F12 N5 O Os P2 -","- C116 H92 F48 N20 O4 Os4 P8 -","4","4","","Wang, Guanghui; Zhou, Zijun; Shen, Xiang; Ivlev, Sergei; Meggers, Eric","Asymmetric catalysis with a chiral-at-osmium complex.","Chemical communications (Cambridge, England)","2020","56","56","7714","7717","10.1039/d0cc03280h","","","0.71073","MoKα","","0.0677","0.0476","","","0.0831","0.0886","","","","","","1.029","","","","has coordinates","254875","2020-10-21","18:00:00",""
"7126703","11.2073","0.0007","19.594","0.0012","11.9682","0.0008","90","","98.963","0.004","90","","1271.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 Cl Fe2 N3 O2 -","- C29 H27 Cl Fe2 N3 O2 -","- C116 H108 Cl4 Fe8 N12 O8 -","4","1","","Sarkar, Tukki; Bhattacharyya, Arnab; Banerjee, Samya; Hussain, Akhtar","LMCT transition-based red-light photochemotherapy using a tumour-selective ferrocenyl iron(iii) coumarin conjugate.","Chemical communications (Cambridge, England)","2020","56","57","7981","7984","10.1039/d0cc03240a","","","0.71073","MoKα","","0.0825","0.0423","","","0.1026","0.12","","","","","","1.012","","","","has coordinates","298703","2025-04-03","05:34:20",""
"7126704","24.6057","0.0016","25.5361","0.0014","29.3687","0.0017","90","","90","","90","","18453.3","1.9","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C183 H285 Br6 Cl3 O20 -","- C183 H285 Br6 Cl3 O20 -","- C732 H1140 Br24 Cl12 O80 -","4","1","","Nagata, Yuuya; Suzuki, Misaki; Shimada, Yasuo; Sengoku, Hiroki; Nishida, Shungo; Kakuta, Takahiro; Yamagishi, Tada-Aki; Suginome, Michinori; Ogoshi, Tomoki","Holding of planar chirality of pillar[5]arene by kinetic trapping using host-guest interactions with achiral guest solvents.","Chemical communications (Cambridge, England)","2020","56","60","8424","8427","10.1039/d0cc03413d","","","0.71075","MoKα","","0.4349","0.1261","","","0.2118","0.319","","","","","","0.924","","","","has coordinates,has disorder","254895","2020-10-21","18:00:00",""
"7126705","15.581","0.003","22.162","0.004","23.828","0.004","90","","90","","90","","8228","3","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C86 H132 Cl2 O10 -","- C86 H132 Cl2 O10 -","- C344 H528 Cl8 O40 -","4","1","","Nagata, Yuuya; Suzuki, Misaki; Shimada, Yasuo; Sengoku, Hiroki; Nishida, Shungo; Kakuta, Takahiro; Yamagishi, Tada-Aki; Suginome, Michinori; Ogoshi, Tomoki","Holding of planar chirality of pillar[5]arene by kinetic trapping using host-guest interactions with achiral guest solvents.","Chemical communications (Cambridge, England)","2020","56","60","8424","8427","10.1039/d0cc03413d","","","0.71075","MoKα","","0.3772","0.1583","","","0.2655","0.3425","","","","","","1.15","","","","has coordinates,has disorder","254895","2020-10-21","18:00:00",""
"7126706","74.1412","0.0003","74.1412","0.0003","74.1412","0.0003","90","","90","","90","","407548","3","77","","77","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","T3-SnOS-MTN","","- H8 O8 S16 Sn10 -","- H8.94099 O8 S16 Sn10 -","- H1215.97 O1088 S2176 Sn1360 -","136","0.708333","","Luo, Ming-Bu; Huang, Shan-Lin; Lai, Heng-Dong; Zhang, Jian; Lin, Qipu","Tin-oxychalcogenide supertetrahedral clusters maintained in a MTN zeolite-analog arrangement by coulombic interactions.","Chemical communications (Cambridge, England)","2020","56","60","8388","8391","10.1039/d0cc02909b","","","1.3405","GaKα","","0.0687","0.0597","","","0.206","0.2187","","","","","","1.077","","","","has coordinates","254893","2020-10-21","18:00:00",""
"7126707","9.3092","0.0013","9.8441","0.0014","10.1956","0.0014","63.563","0.014","71.551","0.013","73.22","0.012","781.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 N6 O8 -","- C12 H16 N6 O8 -","- C24 H32 N12 O16 -","2","1","","Zhou, Bo; Zhao, Qihang; Tang, Longchang; Yan, Dongpeng","Tunable room temperature phosphorescence and energy transfer in ratiometric co-crystals.","Chemical communications (Cambridge, England)","2020","56","56","7698","7701","10.1039/d0cc02730h","","x-ray","0.71073","MoKα","","0.1162","0.066","","","0.1267","0.1516","","","","","","1.055","","","","has coordinates","254874","2020-10-21","18:00:00",""
"7126708","9.4813","0.0008","11.8746","0.001","14.6779","0.0013","72.186","0.007","82.829","0.007","81.819","0.007","1551.5","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 N6 O8 -","- C12 H16 N6 O8 -","- C48 H64 N24 O32 -","4","2","","Zhou, Bo; Zhao, Qihang; Tang, Longchang; Yan, Dongpeng","Tunable room temperature phosphorescence and energy transfer in ratiometric co-crystals.","Chemical communications (Cambridge, England)","2020","56","56","7698","7701","10.1039/d0cc02730h","","x-ray","0.71073","MoKα","","0.1084","0.0607","","","0.1229","0.1489","","","","","","1.023","","","","has coordinates","294326","2024-09-02","09:37:26",""
"7126709","8.8523","0.0015","9.551","0.002","16.927","0.004","81.918","0.004","78.36","0.004","64.955","0.006","1267.5","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H34 Cl N O Si2 -","- C25 H34 Cl N O Si2 -","- C50 H68 Cl2 N2 O2 Si4 -","2","1","","Ji, Xiaoming; Wei, Feng; Wan, Bin; Cheng, Cang; Zhang, Yanghui","Palladium-catalyzed intermolecular C-H silylation initiated by aminopalladation.","Chemical communications (Cambridge, England)","2020","56","56","7801","7804","10.1039/d0cc00872a","","","1.54178","CuKα","","0.0422","0.0377","","","0.0975","0.1029","","","","","","1.024","","","","has coordinates","254876","2020-10-21","18:00:00",""
"7126710","5.865","0.002","14.967","0.005","14.978","0.005","72.081","0.01","82.356","0.012","84.576","0.012","1237.9","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","2","","An, Juzeng; Pedrazzani, Riccardo; Monari, Magda; Marin-Luna, Marta; Lopez, Carlos Silva; Bandini, Marco","Site-selective synthesis of 1,3-dioxin-3-ones via a gold(i) catalyzed cascade reaction.","Chemical communications (Cambridge, England)","2020","56","56","7734","7737","10.1039/d0cc02703k","","","1.54178","CuKα","","0.1277","0.1123","","","0.2647","0.2837","","","","","","1.24","","","","has coordinates","254873","2020-10-21","18:00:00",""
"7126711","19.276","0.007","15.481","0.006","20.6","0.008","90","","101.414","0.011","90","","6026","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3a","","- C31.5 H43 Co O -","- C31.5 H43 Co O -","- C252 H344 Co8 O8 -","8","1","","Grass, Amanda; Bellow, James A.; Morrison, Gregory; Zur Loye, Hans-Conrad; Lord, Richard L.; Groysman, Stanislav","One electron reduction transforms high-valent low-spin cobalt alkylidene into high-spin cobalt(ii) carbene radical.","Chemical communications (Cambridge, England)","2020","56","60","8416","8419","10.1039/d0cc03028g","","","0.71073","MoKα","","0.1766","0.1046","","","0.2671","0.2958","","","","","","0.976","","","","has coordinates","254901","2020-10-21","18:00:00",""
"7126712","12.0917","0.0007","13.2206","0.0007","18.3083","0.001","83.843","0.003","74.551","0.003","73.23","0.003","2699.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3","","- C63 H86 Co2 O2 -","- C63 H86 Co2 O2 -","- C126 H172 Co4 O4 -","2","1","","Grass, Amanda; Bellow, James A.; Morrison, Gregory; Zur Loye, Hans-Conrad; Lord, Richard L.; Groysman, Stanislav","One electron reduction transforms high-valent low-spin cobalt alkylidene into high-spin cobalt(ii) carbene radical.","Chemical communications (Cambridge, England)","2020","56","60","8416","8419","10.1039/d0cc03028g","","","0.71073","MoKα","","0.0507","0.0335","","","0.0717","0.078","","","","","","1.023","","","","has coordinates","254901","2020-10-21","18:00:00",""
"7126713","14.6058","0.0007","14.6784","0.0007","30.7441","0.0013","90","","90","","90","","6591.2","0.5","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","6","","- C42 H48 Co N -","- C42 H48 Co N -","- C336 H384 Co8 N8 -","8","1","","Grass, Amanda; Bellow, James A.; Morrison, Gregory; Zur Loye, Hans-Conrad; Lord, Richard L.; Groysman, Stanislav","One electron reduction transforms high-valent low-spin cobalt alkylidene into high-spin cobalt(ii) carbene radical.","Chemical communications (Cambridge, England)","2020","56","60","8416","8419","10.1039/d0cc03028g","","","0.71073","MoKα","","0.0978","0.0474","","","0.0984","0.1189","","","","","","0.962","","","","has coordinates","254901","2020-10-21","18:00:00",""
"7126714","12.0255","0.0006","13.8796","0.0007","21.0959","0.001","98.389","0.003","99.02","0.003","113.189","0.003","3111.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","5","","- C72 H72 Co2 N8 -","- C72 H72 Co2 N8 -","- C144 H144 Co4 N16 -","2","1","","Grass, Amanda; Bellow, James A.; Morrison, Gregory; Zur Loye, Hans-Conrad; Lord, Richard L.; Groysman, Stanislav","One electron reduction transforms high-valent low-spin cobalt alkylidene into high-spin cobalt(ii) carbene radical.","Chemical communications (Cambridge, England)","2020","56","60","8416","8419","10.1039/d0cc03028g","","","0.71073","MoKα","","0.1138","0.0505","","","0.0924","0.1109","","","","","","1","","","","has coordinates","254901","2020-10-21","18:00:00",""
"7126715","10.9214","0.0004","10.9343","0.0003","20.6594","0.0006","98.174","0.002","90.822","0.002","102.662","0.002","2380","0.13","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C40 H66 N4 O25 -","- C40 H60 N4 O25 -","- C80 H120 N8 O50 -","2","1","","Kravets, Mykola; Sobczak, Grzegorz; Rad, Nazar; Misztalewska-Turkowicz, Iwona; Danylyuk, Oksana; Sashuk, Volodymyr","Visual discrimination of aromatic acid substitution patterns by supramolecular nanocooperativity.","Chemical communications (Cambridge, England)","2020","56","61","8595","8598","10.1039/d0cc03633a","","","1.54184","CuKα","","0.0469","0.044","","","0.1179","0.1201","","","","","","1.034","","","","has coordinates,has disorder","254926","2020-10-21","18:00:00",""
"7126716","7.6587","0.0006","11.0602","0.0008","12.3929","0.0008","87.763","0.005","74.272","0.006","87.728","0.006","1009.23","0.13","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N2 O4 -","- C24 H20 N2 O4 -","- C48 H40 N4 O8 -","2","1","","Mulholland, Katie D.; Yoon, Sangbin; Rennie, Christopher C.; Sitch, Eleanor K.; McKay, Alasdair I.; Edkins, Katharina; Edkins, Robert M.","Iridium-catalysed 3,5-bis-borylation of phthalonitrile enables access to a family of C<sub>4h</sub> octaarylphthalocyanines.","Chemical communications (Cambridge, England)","2020","56","60","8452","8455","10.1039/d0cc03161e","","x-ray","0.71073","MoKα","","0.0909","0.0523","","","0.1004","0.1194","","","","","","1.0487","","","","has coordinates","254894","2020-10-21","18:00:00",""
"7126717","26.6432","0.001","6.8628","0.0005","7.9989","0.0003","90","","90","","90","","1462.57","0.13","120","","120","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H16 B N2 O2.25 -","- C14 H16 B N2 O2.25 -","- C56 H64 B4 N8 O9 -","4","0.5","","Mulholland, Katie D.; Yoon, Sangbin; Rennie, Christopher C.; Sitch, Eleanor K.; McKay, Alasdair I.; Edkins, Katharina; Edkins, Robert M.","Iridium-catalysed 3,5-bis-borylation of phthalonitrile enables access to a family of C<sub>4h</sub> octaarylphthalocyanines.","Chemical communications (Cambridge, England)","2020","56","60","8452","8455","10.1039/d0cc03161e","","x-ray","0.71073","MoKα","","0.0968","0.0749","","","0.1924","0.2123","","","","","","1.052","","","","has coordinates,has disorder","254894","2020-10-21","18:00:00",""
"7126718","9.3959","0.0012","15.9579","0.0018","19.8503","0.0014","104.367","0.008","101.254","0.008","97.571","0.01","2776.5","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C118.5 H84 F48 Mg N8 O3.5 -","- C96 H34 F47.9994 Mg N8 O -","- C96 H34 F47.9994 Mg N8 O -","1","0.5","","Mulholland, Katie D.; Yoon, Sangbin; Rennie, Christopher C.; Sitch, Eleanor K.; McKay, Alasdair I.; Edkins, Katharina; Edkins, Robert M.","Iridium-catalysed 3,5-bis-borylation of phthalonitrile enables access to a family of C<sub>4h</sub> octaarylphthalocyanines.","Chemical communications (Cambridge, England)","2020","56","60","8452","8455","10.1039/d0cc03161e","","x-ray","1.54184","CuKα","","0.1428","0.0852","","","0.226","0.2732","","","","","","0.962","","","","has coordinates,has disorder","254894","2020-10-21","18:00:00",""
"7126719","8.953","0.0012","11.442","0.0014","15.907","0.002","105.674","0.004","90.147","0.004","102.422","0.004","1529","0.3","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C36 H44 N2 -","- C36 H44 N2 -","- C72 H88 N4 -","2","1","","Mulholland, Katie D.; Yoon, Sangbin; Rennie, Christopher C.; Sitch, Eleanor K.; McKay, Alasdair I.; Edkins, Katharina; Edkins, Robert M.","Iridium-catalysed 3,5-bis-borylation of phthalonitrile enables access to a family of C<sub>4h</sub> octaarylphthalocyanines.","Chemical communications (Cambridge, England)","2020","56","60","8452","8455","10.1039/d0cc03161e","","x-ray","0.71073","MoKα","","0.1265","0.0622","","","0.1185","0.1418","","","","","","1.008","","","","has coordinates","254894","2020-10-21","18:00:00",""
"7126720","19.5182","0.0008","19.5876","0.0009","22.5521","0.0009","99.467","0.003","111.596","0.002","95.906","0.002","7781","0.6","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C288 H354 N16 O Zn2 -","- C288 H354 N16 O Zn2 -","- C288 H354 N16 O Zn2 -","1","0.5","","Mulholland, Katie D.; Yoon, Sangbin; Rennie, Christopher C.; Sitch, Eleanor K.; McKay, Alasdair I.; Edkins, Katharina; Edkins, Robert M.","Iridium-catalysed 3,5-bis-borylation of phthalonitrile enables access to a family of C<sub>4h</sub> octaarylphthalocyanines.","Chemical communications (Cambridge, England)","2020","56","60","8452","8455","10.1039/d0cc03161e","","","1.54178","CuKα","","0.2863","0.1402","","","0.3666","0.4498","","","","","","0.993","","","","has coordinates","254894","2020-10-21","18:00:00",""
"7126721","13.6361","0.0009","11.8505","0.0008","13.0118","0.0008","90","","92.2","0.002","90","","2101.1","0.2","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 B2 N2 O4 -","- C20 H26 B2 N2 O4 -","- C80 H104 B8 N8 O16 -","4","1","","Mulholland, Katie D.; Yoon, Sangbin; Rennie, Christopher C.; Sitch, Eleanor K.; McKay, Alasdair I.; Edkins, Katharina; Edkins, Robert M.","Iridium-catalysed 3,5-bis-borylation of phthalonitrile enables access to a family of C<sub>4h</sub> octaarylphthalocyanines.","Chemical communications (Cambridge, England)","2020","56","60","8452","8455","10.1039/d0cc03161e","","x-ray","0.71073","MoKα","","0.0667","0.0488","","","0.1127","0.1237","","","","","","1.0539","","","","has coordinates","254894","2020-10-21","18:00:00",""
"7126722","26.32","0.0012","8.4133","0.0004","22.4036","0.001","90","","95.7836","0.0014","90","","4935.8","0.4","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H15 F12 N2 -","- C24 H8 F12 N2 -","- C192 H64 F96 N16 -","8","1","","Mulholland, Katie D.; Yoon, Sangbin; Rennie, Christopher C.; Sitch, Eleanor K.; McKay, Alasdair I.; Edkins, Katharina; Edkins, Robert M.","Iridium-catalysed 3,5-bis-borylation of phthalonitrile enables access to a family of C<sub>4h</sub> octaarylphthalocyanines.","Chemical communications (Cambridge, England)","2020","56","60","8452","8455","10.1039/d0cc03161e","","x-ray","0.71073","MoKα","","0.0626","0.0474","","","0.1128","0.1225","","","","","","1.033","","","","has coordinates,has disorder","254894","2020-10-21","18:00:00",""
"7126723","9.8387","0.0006","15.9659","0.0011","19.707","0.0013","104.067","0.0018","102.217","0.0017","94.6532","0.0019","2906","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C129 H65 F48 N14.6 O0.5 Zn -","- C129 H65 F48 N14.6 O0.5 Zn -","- C129 H65 F48 N14.6 O0.5 Zn -","1","0.5","","Mulholland, Katie D.; Yoon, Sangbin; Rennie, Christopher C.; Sitch, Eleanor K.; McKay, Alasdair I.; Edkins, Katharina; Edkins, Robert M.","Iridium-catalysed 3,5-bis-borylation of phthalonitrile enables access to a family of C<sub>4h</sub> octaarylphthalocyanines.","Chemical communications (Cambridge, England)","2020","56","60","8452","8455","10.1039/d0cc03161e","","x-ray","0.71073","MoKα","","0.1163","0.0718","","","0.1728","0.2016","","","","","","1.018","","","","has coordinates,has disorder","254894","2020-10-21","18:00:00",""
"7126724","9.6454","0.0004","10.4111","0.0007","11.3573","0.0005","75.236","0.005","81.627","0.004","67.452","0.005","1017.07","0.1","123","2","123.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C48 H52 N4 O8 -","2","1","","Wu, Lingang; Hao, Yanan; Liu, Yuxiu; Song, Haibin; Wang, Qingmin","Visible-light-induced dearomative oxamination of indole derivatives and dearomative amidation of phenol derivatives.","Chemical communications (Cambridge, England)","2020","56","60","8436","8439","10.1039/d0cc03506h","","x-ray","0.71073","MoKα","","0.0461","0.0414","","","0.108","0.1135","","","","","","0.997","","","","has coordinates","254896","2020-10-21","18:00:00",""
"7126725","12.121","0.004","12.121","0.004","23.73","0.006","90","","90","","90","","3486.4","1.9","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C76 H44 Cu4 N4 O17 -","- C76 H44 Cu4 N4 O17 -","- C152 H88 Cu8 N8 O34 -","2","0.125","","Taggart, Garrett A.; Lorzing, Gregory R.; Dworzak, Michael R.; Yap, Glenn P. A.; Bloch, Eric D.","Synthesis and characterization of low-nuclearity lantern-type porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","63","8924","8927","10.1039/d0cc03266b","","","1.54178","CuKα","","0.1854","0.1521","","","0.4101","0.4514","","","","","","1.792","","","","has coordinates,has disorder","255955","2020-10-21","18:00:00",""
"7126726","12.989","0.0011","12.989","0.0011","23.881","0.002","90","","90","","90","","4029.1","0.6","150","2","150","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C84 H56 Cr4 O19 -","- C84 H56 Cr4 O19 -","- C168 H112 Cr8 O38 -","2","0.125","","Taggart, Garrett A.; Lorzing, Gregory R.; Dworzak, Michael R.; Yap, Glenn P. A.; Bloch, Eric D.","Synthesis and characterization of low-nuclearity lantern-type porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","63","8924","8927","10.1039/d0cc03266b","","","1.54178","CuKα","","0.1742","0.1447","","","0.414","0.4604","","","","","","2.033","","","","has coordinates","255955","2020-10-21","18:00:00",""
"7126727","12.859","0.0004","12.859","0.0004","23.9559","0.0008","90","","90","","90","","3961.2","0.2","200","2","200","","","","","","","","","5","I 4/m","-I 4","87","","","","- C90 H70 Cu4 N2 O19 -","- C90 H70 Cu4 N2 O19 -","- C180 H140 Cu8 N4 O38 -","2","0.125","","Taggart, Garrett A.; Lorzing, Gregory R.; Dworzak, Michael R.; Yap, Glenn P. A.; Bloch, Eric D.","Synthesis and characterization of low-nuclearity lantern-type porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","63","8924","8927","10.1039/d0cc03266b","","","1.54178","CuKα","","0.0863","0.0739","","","0.2047","0.2346","","","","","","1.083","","","","has coordinates,has disorder","255955","2020-10-21","18:00:00",""
"7126728","12.8297","0.0007","26.2957","0.0015","27.2919","0.0013","90","","101.794","0.002","90","","9013","0.8","175","2","175","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C170 H112 Cl Mo8 O35 -","- C170 H112 Cl Mo8 O35 -","- C340 H224 Cl2 Mo16 O70 -","2","0.25","","Taggart, Garrett A.; Lorzing, Gregory R.; Dworzak, Michael R.; Yap, Glenn P. A.; Bloch, Eric D.","Synthesis and characterization of low-nuclearity lantern-type porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","63","8924","8927","10.1039/d0cc03266b","","","1.54184","CuKα","","0.0712","0.0523","","","0.1285","0.1398","","","","","","1.054","","","","has coordinates","255955","2020-10-21","18:00:00",""
"7126729","15.0044","0.0008","8.2203","0.0003","19.4734","0.001","90","","108.91","0.005","90","","2272.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 F3 N O2 -","- C24 H16 F3 N O2 -","- C96 H64 F12 N4 O8 -","4","1","","Yuan, Hairui; Du, Yuanbo; Liu, Fengting; Guo, Lirong; Sun, Qianyu; Feng, Lei; Gao, Hongyin","Tandem approach to NOBIN analogues from arylhydroxylamines and diaryliodonium salts via [3,3]-sigmatropic rearrangement.","Chemical communications (Cambridge, England)","2020","56","59","8226","8229","10.1039/d0cc02919j","","x-ray","1.54184","CuKα","","0.0843","0.0666","","","0.1903","0.2101","","","","","","1.055","","","","has coordinates","254908","2020-10-21","18:00:00",""
"7126730","8.9805","0.0001","11.7542","0.0002","18.4054","0.0003","90","","90","","90","","1942.85","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H15 Br2 N O2 -","- C23 H15 Br2 N O2 -","- C92 H60 Br8 N4 O8 -","4","1","","Yuan, Hairui; Du, Yuanbo; Liu, Fengting; Guo, Lirong; Sun, Qianyu; Feng, Lei; Gao, Hongyin","Tandem approach to NOBIN analogues from arylhydroxylamines and diaryliodonium salts via [3,3]-sigmatropic rearrangement.","Chemical communications (Cambridge, England)","2020","56","59","8226","8229","10.1039/d0cc02919j","","x-ray","1.54184","CuKα","","0.0379","0.0313","","","0.0735","0.0832","","","","","","1.062","","","","has coordinates","254908","2020-10-21","18:00:00",""
"7126731","34.285","0.007","5.934","0.0012","39.22","0.018","90","","104.56","0.03","90","","7723","4","298","2","298","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C216 H131.2 Ag24 O53.6 -","- C216 H120 Ag24 O53.6128 -","- C216 H120 Ag24 O53.6128 -","1","0.125","","Kim, Dongwook; Seong, Junmo; Han, Seungwan; Baek, Seung Bin; Lah, Myoung Soo","Pore space partition of a fragile Ag(i)-carboxylate framework via post-synthetic linker insertion.","Chemical communications (Cambridge, England)","2020","56","61","8615","8618","10.1039/d0cc03472j","","","0.7","synchrotron","","0.1264","0.0768","","","0.2134","0.2533","","","","","","0.905","","","","has coordinates","254924","2020-10-21","18:00:00",""
"7126732","33.95","0.007","6.002","0.0012","39.546","0.018","90","","105.22","0.03","90","","7776","4","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C279.89 H171.11 Ag24 N12.78 O48 -","- C279.888 H171.11 Ag24 N12.7776 O48 -","- C279.888 H171.11 Ag24 N12.7776 O48 -","1","0.125","","Kim, Dongwook; Seong, Junmo; Han, Seungwan; Baek, Seung Bin; Lah, Myoung Soo","Pore space partition of a fragile Ag(i)-carboxylate framework via post-synthetic linker insertion.","Chemical communications (Cambridge, England)","2020","56","61","8615","8618","10.1039/d0cc03472j","","","0.65","synchrotron","","0.0545","0.0442","","","0.1321","0.1386","","","","","","1.07","","","","has coordinates","254924","2020-10-21","18:00:00",""
"7126733","34.592","0.007","6.257","0.0013","35.505","0.018","90","","107.21","0.03","90","","7341","4","296","2","296","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C252.21 H144.14 Ag24 N6.04 O48 -","- C252.209 H144.139 Ag24 N6.0348 O48 -","- C252.209 H144.139 Ag24 N6.0348 O48 -","1","0.25","","Kim, Dongwook; Seong, Junmo; Han, Seungwan; Baek, Seung Bin; Lah, Myoung Soo","Pore space partition of a fragile Ag(i)-carboxylate framework via post-synthetic linker insertion.","Chemical communications (Cambridge, England)","2020","56","61","8615","8618","10.1039/d0cc03472j","","","0.7","synchrotron","","0.0739","0.0519","","","0.142","0.1557","","","","","","0.982","","","","has coordinates","254924","2020-10-21","18:00:00",""
"7126734","34.512","0.007","5.9589","0.0012","38.939","0.019","90","","104.48","0.03","90","","7754","5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C251.75 H143.83 Ag24 N17.87 O48 -","- C251.746 H143.83 Ag24 N17.8728 O48 -","- C251.746 H143.83 Ag24 N17.8728 O48 -","1","0.25","","Kim, Dongwook; Seong, Junmo; Han, Seungwan; Baek, Seung Bin; Lah, Myoung Soo","Pore space partition of a fragile Ag(i)-carboxylate framework via post-synthetic linker insertion.","Chemical communications (Cambridge, England)","2020","56","61","8615","8618","10.1039/d0cc03472j","","","0.71073","MoKα","","0.267","0.1703","","","0.3946","0.4501","","","","","","1.246","","","","has coordinates","254924","2020-10-21","18:00:00",""
"7126735","15.4937","0.0009","9.734","0.0006","12.9942","0.0013","90","","119.954","0.002","90","","1698","0.2","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H40 Fe N2 O P2 -","- C42 H40 Fe N2 O P2 -","- C84 H80 Fe2 N4 O2 P4 -","2","0.5","","Hatzis, Gregory P.; Thomas, Christine M.","Metal-ligand cooperativity across two sites of a square planar iron(ii) complex ligated by a tetradentate PNNP ligand.","Chemical communications (Cambridge, England)","2020","56","61","8611","8614","10.1039/d0cc02152k","","x-ray","0.71073","MoKα","","0.0337","0.0269","","","0.0503","0.0525","","","","","","1.044","","","","has coordinates","254929","2020-10-21","18:00:00",""
"7126736","14.1841","0.0008","14.9374","0.0009","23.6074","0.0014","104.204","0.002","92.996","0.002","105.812","0.002","4627.2","0.5","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 B2 Fe N2 P2 -","- C38 H38 B2 Fe N2 P2 -","- C152 H152 B8 Fe4 N8 P8 -","4","2","","Hatzis, Gregory P.; Thomas, Christine M.","Metal-ligand cooperativity across two sites of a square planar iron(ii) complex ligated by a tetradentate PNNP ligand.","Chemical communications (Cambridge, England)","2020","56","61","8611","8614","10.1039/d0cc02152k","","x-ray","0.71073","MoKα","","0.0755","0.0654","","","0.1865","0.1956","","","","","","1.08","","","","has coordinates","294326","2024-09-02","09:37:26",""
"7126737","11.7019","0.0008","14.3131","0.001","19.1169","0.0014","83.392","0.002","73.967","0.002","72.76","0.002","2937.2","0.4","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H58 B2 Fe N2 O4 P2 -","- C50 H58 B2 Fe N2 O4 P2 -","- C100 H116 B4 Fe2 N4 O8 P4 -","2","1","","Hatzis, Gregory P.; Thomas, Christine M.","Metal-ligand cooperativity across two sites of a square planar iron(ii) complex ligated by a tetradentate PNNP ligand.","Chemical communications (Cambridge, England)","2020","56","61","8611","8614","10.1039/d0cc02152k","","x-ray","0.71073","MoKα","","0.0781","0.0589","","","0.1716","0.1836","","","","","","1.042","","","","has coordinates","254929","2020-10-21","18:00:00",""
"7126738","17.3592","0.0013","16.4666","0.0012","14.4482","0.0011","90","","106.046","0.003","90","","3969.1","0.5","150","","150","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C47 H47 Fe N2 P3 -","- C47 H47 Fe N2 P3 -","- C188 H188 Fe4 N8 P12 -","4","2","","Hatzis, Gregory P.; Thomas, Christine M.","Metal-ligand cooperativity across two sites of a square planar iron(ii) complex ligated by a tetradentate PNNP ligand.","Chemical communications (Cambridge, England)","2020","56","61","8611","8614","10.1039/d0cc02152k","","x-ray","0.71073","MoKα","","0.0497","0.0448","","","0.1123","0.1152","","","","","","1.084","","","","has coordinates,has disorder","254929","2020-10-21","18:00:00",""
"7126739","13.0892","0.0004","13.0889","0.0004","13.2528","0.0004","90","","90","","90","","2270.51","0.12","293","2","293","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- Be4 Cs4 Li O24 P7 -","- Be4 Cs4 Li O24 P7 -","- Be16 Cs16 Li4 O96 P28 -","4","1","","Chen, Yi-Gang; Yang, Chunyu; Wang, Fang; Guo, Yao; Jiang, Xingxing; Zhang, Xian-Ming","M<sub>4</sub>LiBe<sub>4</sub>P<sub>7</sub>O<sub>24</sub> and M<sub>4</sub>Li(Li<sub>3</sub>P)P<sub>7</sub>O<sub>24</sub> (M = Cs, Rb): deep-ultraviolet nonlinear-optical phosphates with a tetrahedra-substituted paracelsian-like framework.","Chemical communications (Cambridge, England)","2020","56","61","8639","8642","10.1039/d0cc03159c","","","0.71073","MoKα","","0.0314","0.027","","","0.052","0.0542","","","","","","0.933","","","","has coordinates","254927","2020-10-21","18:00:00",""
"7126740","12.8805","0.0004","12.9118","0.0004","12.9447","0.0004","90","","90","","90","","2152.84","0.12","293","2","293","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- Be4 Li O24 P7 Rb4 -","- Be4 Li O24 P7 Rb4 -","- Be16 Li4 O96 P28 Rb16 -","4","1","","Chen, Yi-Gang; Yang, Chunyu; Wang, Fang; Guo, Yao; Jiang, Xingxing; Zhang, Xian-Ming","M<sub>4</sub>LiBe<sub>4</sub>P<sub>7</sub>O<sub>24</sub> and M<sub>4</sub>Li(Li<sub>3</sub>P)P<sub>7</sub>O<sub>24</sub> (M = Cs, Rb): deep-ultraviolet nonlinear-optical phosphates with a tetrahedra-substituted paracelsian-like framework.","Chemical communications (Cambridge, England)","2020","56","61","8639","8642","10.1039/d0cc03159c","","","0.71073","MoKα","","0.0362","0.0266","","","0.05","0.0524","","","","","","1.049","","","","has coordinates","254927","2020-10-21","18:00:00",""
"7126741","10.4171","0.0006","10.7634","0.0005","11.4213","0.0007","100.44","0.004","108.085","0.005","94.085","0.004","1185.99","0.12","120","0.13","120","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C21 H28 Ag F6 N4 P -","- C21 H28 Ag F6 N4 P -","- C42 H56 Ag2 F12 N8 P2 -","2","1","","Ward, Jas S.; Fiorini, Giorgia; Frontera, Antonio; Rissanen, Kari","Asymmetric [N-I-N]<sup>+</sup> halonium complexes.","Chemical communications (Cambridge, England)","2020","56","60","8428","8431","10.1039/d0cc02758h","","x-ray","0.71073","MoKα","","0.0612","0.0431","","","0.0899","0.0996","","","","","","1.039","","","","has coordinates,has disorder","254897","2020-10-21","18:00:00",""
"7126742","8.6651","0.0013","10.6439","0.0013","11.578","0.0016","90.059","0.007","109.119","0.006","113.062","0.007","918","0.2","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 Ag F6 N4 P -","- C14 H20 Ag F6 N4 P -","- C28 H40 Ag2 F12 N8 P2 -","2","1","","Ward, Jas S.; Fiorini, Giorgia; Frontera, Antonio; Rissanen, Kari","Asymmetric [N-I-N]<sup>+</sup> halonium complexes.","Chemical communications (Cambridge, England)","2020","56","60","8428","8431","10.1039/d0cc02758h","","","0.71073","MoKα","","0.094","0.0628","","","0.1217","0.1387","","","","","","1.052","","","","has coordinates","254897","2020-10-21","18:00:00",""
"7126743","8.4968","0.0008","9.1809","0.0011","10.9655","0.0014","72.296","0.005","71.948","0.007","73.418","0.007","757.33","0.16","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Ag F6 N2 P -","- C12 H14 Ag F6 N2 P -","- C24 H28 Ag2 F12 N4 P2 -","2","1","","Ward, Jas S.; Fiorini, Giorgia; Frontera, Antonio; Rissanen, Kari","Asymmetric [N-I-N]<sup>+</sup> halonium complexes.","Chemical communications (Cambridge, England)","2020","56","60","8428","8431","10.1039/d0cc02758h","","","0.71073","MoKα","","0.0968","0.0627","","","0.1463","0.1631","","","","","","1.035","","","","has coordinates,has disorder","254897","2020-10-21","18:00:00",""
"7126744","7.8394","0.0005","14.2529","0.0008","14.6397","0.0008","90","","100.629","0.003","90","","1607.69","0.16","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Ag F6 N3 P -","- C12 H15 Ag F6 N3 P -","- C48 H60 Ag4 F24 N12 P4 -","4","1","","Ward, Jas S.; Fiorini, Giorgia; Frontera, Antonio; Rissanen, Kari","Asymmetric [N-I-N]<sup>+</sup> halonium complexes.","Chemical communications (Cambridge, England)","2020","56","60","8428","8431","10.1039/d0cc02758h","","","0.71073","MoKα","","0.1163","0.0912","","","0.1889","0.2015","","","","","","1.138","","","","has coordinates","254897","2020-10-21","18:00:00",""
"7126745","8.0602","0.0002","19.5517","0.0003","10.8483","0.0002","90","","90.69","0.001","90","","1709.47","0.06","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ag F6 N2 P -","- C14 H18 Ag F6 N2 P -","- C56 H72 Ag4 F24 N8 P4 -","4","1","","Ward, Jas S.; Fiorini, Giorgia; Frontera, Antonio; Rissanen, Kari","Asymmetric [N-I-N]<sup>+</sup> halonium complexes.","Chemical communications (Cambridge, England)","2020","56","60","8428","8431","10.1039/d0cc02758h","","","0.71073","MoKα","","0.0331","0.0281","","","0.0636","0.066","","","","","","1.031","","","","has coordinates,has disorder","254897","2020-10-21","18:00:00",""
"7126746","22.793","0.003","10.3913","0.0009","8.4476","0.0005","90","","91.168","0.008","90","","2000.4","0.3","120.01","0.1","120.01","0.1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C12.5 H16 Cl F6 I N3 P -","- C12.5 H16 Cl F6 I N3 P -","- C50 H64 Cl4 F24 I4 N12 P4 -","4","0.5","","Ward, Jas S.; Fiorini, Giorgia; Frontera, Antonio; Rissanen, Kari","Asymmetric [N-I-N]<sup>+</sup> halonium complexes.","Chemical communications (Cambridge, England)","2020","56","60","8428","8431","10.1039/d0cc02758h","","x-ray","1.54184","CuKα","","0.1115","0.1024","","","0.2805","0.2952","","","","","","1.253","","","","has coordinates,has disorder","254897","2020-10-21","18:00:00",""
"7126747","7.7214","0.0006","10.584","0.0008","14.3078","0.0015","109.04","0.008","90.185","0.007","90.561","0.007","1105.23","0.17","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C16 H24 Ag Cl2 F6 N4 P -","- C16 H24 Ag Cl2 F6 N4 P -","- C32 H48 Ag2 Cl4 F12 N8 P2 -","2","1","","Ward, Jas S.; Fiorini, Giorgia; Frontera, Antonio; Rissanen, Kari","Asymmetric [N-I-N]<sup>+</sup> halonium complexes.","Chemical communications (Cambridge, England)","2020","56","60","8428","8431","10.1039/d0cc02758h","","x-ray","0.71073","MoKα","","0.0879","0.0729","","","0.1921","0.2082","","","","","","1.035","","","","has coordinates","254897","2020-10-21","18:00:00",""
"7126748","9.9904","0.0003","10.3032","0.0002","11.832","0.0004","90","","114.588","0.004","90","","1107.47","0.06","120","0.1","120","0.1","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C15 H22 Cl2 F6 I N4 P -","- C15 H22 Cl2 F6 I N4 P -","- C30 H44 Cl4 F12 I2 N8 P2 -","2","0.5","","Ward, Jas S.; Fiorini, Giorgia; Frontera, Antonio; Rissanen, Kari","Asymmetric [N-I-N]<sup>+</sup> halonium complexes.","Chemical communications (Cambridge, England)","2020","56","60","8428","8431","10.1039/d0cc02758h","","x-ray","0.71073","MoKα","","0.0393","0.0312","","","0.0637","0.0702","","","","","","1.043","","","","has coordinates,has disorder","254897","2020-10-21","18:00:00",""
"7126749","31.0847","0.0014","31.0847","0.0014","7.6891","0.0005","90","","90","","90","","7429.7","0.7","292.59","0.1","292.59","0.1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C20 H10 Br F5 O S -","- C20 H10 Br F5 O S -","- C320 H160 Br16 F80 O16 S16 -","16","1","","Chu, Xue-Qiang; Xie, Ting; Wang, Ya-Wen; Li, Xiang-Rui; Rao, Weidong; Xu, Haiyan; Shen, Zhi-Liang","Synthesis of di(hetero)aryl sulfides by defluorinative sulfenylation of polyfluoroalkyl ketones with sodium sulfinates or arylsulfonyl chlorides.","Chemical communications (Cambridge, England)","2020","56","61","8699","8702","10.1039/d0cc03303k","","","1.54184","CuKα","","0.1168","0.0973","","","0.2749","0.3106","","","","","","1.071","","","","has coordinates","254921","2020-10-21","18:00:00",""
"7126750","9.8802","0.0004","10.6122","0.0004","13.9723","0.0005","90","","90","","90","","1465","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 F3 O3 S -","- C14 H13 F3 O3 S -","- C56 H52 F12 O12 S4 -","4","1","","Li, Maizhan; Zhou, Wei","Highly enantioselective [3+2] cycloadditions of terminal allenoates with β-trifluoromethyl α,β-enones.","Chemical communications (Cambridge, England)","2020","56","62","8842","8845","10.1039/d0cc02876b","","","0.71073","MoKα","","0.0465","0.0432","","","0.1219","0.1257","","","","","","1.074","","","","has coordinates","255997","2020-10-21","18:00:00",""
"7126751","10.379","0.003","9.789","0.002","14.974","0.004","90","","105.172","0.004","90","","1468.3","0.7","203","","203","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 N4 Si2 -","- C34 H34 N4 Si2 -","- C68 H68 N8 Si4 -","2","0.5","","Usui, Ryosuke; Sunada, Yusuke","Insertion of Ni(0) and Pd(0) precursors into the Si-Si bond of a disilane with two hypercoordinate silicon atoms.","Chemical communications (Cambridge, England)","2020","56","60","8464","8467","10.1039/d0cc03211e","","","0.71075","MoKα","","0.0632","0.051","","","0.1245","0.1322","","","","","","1.058","","","","has coordinates","254900","2020-10-21","18:00:00",""
"7126752","11.583","0.003","14.712","0.004","23.855","0.007","90","","98.977","0.004","90","","4015.3","1.9","198","","198","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H50 N6 Ni Si2 -","- C43 H50 N6 Ni Si2 -","- C172 H200 N24 Ni4 Si8 -","4","1","","Usui, Ryosuke; Sunada, Yusuke","Insertion of Ni(0) and Pd(0) precursors into the Si-Si bond of a disilane with two hypercoordinate silicon atoms.","Chemical communications (Cambridge, England)","2020","56","60","8464","8467","10.1039/d0cc03211e","","","0.71075","MoKα","","0.1274","0.0755","","","0.16","0.1858","","","","","","1.052","","","","has coordinates","254900","2020-10-21","18:00:00",""
"7126753","20.04","0.03","23.534","0.016","12.734","0.017","90","","126.46","0.03","90","","4830","10","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 N6 Pd2 Si2 -","- C44 H52 N6 Pd2 Si2 -","- C176 H208 N24 Pd8 Si8 -","4","0.5","","Usui, Ryosuke; Sunada, Yusuke","Insertion of Ni(0) and Pd(0) precursors into the Si-Si bond of a disilane with two hypercoordinate silicon atoms.","Chemical communications (Cambridge, England)","2020","56","60","8464","8467","10.1039/d0cc03211e","","","0.4117","synchrotron","","0.0253","0.0211","","","0.0529","0.0544","","","","","","1.039","","","","has coordinates","254900","2020-10-21","18:00:00",""
"7126754","17.514","0.003","11.9262","0.0017","23.97","0.004","90","","90","","90","","5006.7","1.4","203","","203","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H66 N8 Ni Si2 -","- C52 H66 N8 Ni Si2 -","- C208 H264 N32 Ni4 Si8 -","4","0.5","","Usui, Ryosuke; Sunada, Yusuke","Insertion of Ni(0) and Pd(0) precursors into the Si-Si bond of a disilane with two hypercoordinate silicon atoms.","Chemical communications (Cambridge, England)","2020","56","60","8464","8467","10.1039/d0cc03211e","","","0.71075","MoKα","","0.108","0.0629","","","0.1611","0.1904","","","","","","0.999","","","","has coordinates","254900","2020-10-21","18:00:00",""
"7126755","11.189","0.004","11.495","0.005","11.892","0.005","104.709","0.007","98.483","0.007","101.948","0.007","1414.6","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H42 Cl6 Cu N10 O14 -","- C58 H42 Cl6 Cu N10 O14 -","- C58 H42 Cl6 Cu N10 O14 -","1","0.5","","Fuku, Kentaro; Miyata, Momoka; Takaishi, Shinya; Yoshida, Takefumi; Yamashita, Masahiro; Hoshino, Norihisa; Akutagawa, Tomoyuki; Ohtsu, Hiroyoshi; Kawano, Masaki; Iguchi, Hiroaki","Emergence of electrical conductivity in a flexible coordination polymer by using chemical reduction.","Chemical communications (Cambridge, England)","2020","56","61","8619","8622","10.1039/d0cc03062g","","","0.71073","MoKα","","0.101","0.0686","","","0.1942","0.2148","","","","","","1.051","","","","has coordinates,has disorder","254922","2020-10-21","18:00:00",""
"7126756","17.643","0.0005","8.5349","0.0003","15.3612","0.0005","90","","95.447","0.001","90","","2302.66","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 B N2 O -","- C30 H25 B N2 O -","- C120 H100 B4 N8 O4 -","4","1","","Zu, Weisai; Day, Craig; Wei, Lanfeng; Jia, Xin; Xu, Liang","Dual aminoquinolate diarylboron and nickel catalysed metallaphotoredox platform for carbon-oxygen bond construction.","Chemical communications (Cambridge, England)","2020","56","59","8273","8276","10.1039/d0cc03230a","","","0.71073","MoKα","","0.0554","0.0427","","","0.0934","0.1016","","","","","","1.058","","","","has coordinates","254905","2020-10-21","18:00:00",""
"7126757","14.9127","0.0005","8.7466","0.0003","14.9471","0.0005","90","","96.386","0.002","90","","1937.53","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","1698 Fe(SN-Ph)Br2","","","- C17 H15 Br2 Fe N2 P S -","- C17 H15 Br2 Fe N2 P S -","- C68 H60 Br8 Fe4 N8 P4 S4 -","4","1","","Xu, Man-Man; Jia, Tong-Tong; Li, Bingjie; Ma, Wang; Chen, Xiaoyuan; Zhao, Xueli; Zang, Shuang-Quan","Tuning the properties of atomically precise gold nanoclusters for biolabeling and drug delivery.","Chemical communications (Cambridge, England)","2020","56","62","8766","8769","10.1039/d0cc03498c","","","0.71073","MoKα","","0.0192","0.0163","","","0.04","0.0409","","","","","","1.053","","","","has coordinates","256001","2020-10-21","18:00:00",""
"7126758","34","0.004","21.258","0.003","37.58","0.004","90","","104.305","0.003","90","","26320","6","190","1","190","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Cluster-2","","- C178 H162 N8 Nd14 O82 -","- C178 H162 N8 Nd14 O82 -","- C712 H648 N32 Nd56 O328 -","4","0.5","","Shi, Dongliang; Yang, Xiaoping; Ma, Yanan; Niu, Mengyu; Jones, Richard A.","Construction of 14-metal lanthanide nanorings with NIR luminescence response to ions.","Chemical communications (Cambridge, England)","2020","56","61","8651","8654","10.1039/d0cc04242k","","","0.71073","MoKα","","0.0791","0.062","","","0.1716","0.1805","","","","","","1.057","","","","has coordinates","254928","2020-10-21","18:00:00",""
"7126759","33.9","0.006","21.086","0.003","37.72","0.006","90","","104.641","0.003","90","","26087","7","190","1","190","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C178 H162 Gd14 N8 O82 -","- C178 H162 Gd14 N8 O82 -","- C712 H648 Gd56 N32 O328 -","4","0.5","","Shi, Dongliang; Yang, Xiaoping; Ma, Yanan; Niu, Mengyu; Jones, Richard A.","Construction of 14-metal lanthanide nanorings with NIR luminescence response to ions.","Chemical communications (Cambridge, England)","2020","56","61","8651","8654","10.1039/d0cc04242k","","","0.71073","MoKα","","0.1311","0.0902","","","0.1866","0.2264","","","","","","1.086","","","","has coordinates","254928","2020-10-21","18:00:00",""
"7126760","10.7471","0.0001","10.0653","0.0001","50.8287","0.0005","90","","94.389","0.001","90","","5482.16","0.09","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","TPAAZ","","- C36 H19 N7 -","- C36 H19 N7 -","- C288 H152 N56 -","8","2","","Liang, Qingxin; Xu, Jingyi; Xue, Jie; Qiao, Juan","Near-infrared-II thermally activated delayed fluorescence organic light-emitting diodes.","Chemical communications (Cambridge, England)","2020","56","63","8988","8991","10.1039/d0cc02695f","","x-ray","1.54184","CuKα","","0.0522","0.0439","","","0.1059","0.1134","","","","","","1.047","","","","has coordinates","255950","2020-10-21","18:00:00",""
"7126761","12.8198","0.0001","12.8198","0.0001","27.9907","0.0005","90","","90","","120","","3983.89","0.08","85","2","85","2","","","","","","","","3","P 31 2 1","P 31 2""","152","(S,S,S)-SPIROL","(1S,3S,3'S)-3,3'-diethyl-3H,3'H-1,1'-spirobi[isobenzofuran]-7,7'-diol","","- C19 H20 O4 -","- C19 H20 O4 -","- C171 H180 O36 -","9","1.5","","Sun, Siyuan; Nagorny, Pavel","Exploration of chiral diastereomeric spiroketal (SPIROL)-based phosphinite ligands in asymmetric hydrogenation of heterocycles.","Chemical communications (Cambridge, England)","2020","56","60","8432","8435","10.1039/d0cc03088k","","","1.54184","CuKα","","0.0474","0.047","","","0.1248","0.1253","","","","","","1.062","","","","has coordinates","254899","2020-10-21","18:00:00",""
"7126762","15.9994","0.0014","13.4294","0.0012","15.3641","0.0013","90","","108.019","0.004","90","","3139.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H47 N O Zn2 -","- C33 H47 N O Zn2 -","- C132 H188 N4 O4 Zn8 -","4","1","","Li, Bin; Wölper, Christoph; Huse, Kevin; Schulz, Stephan","Intermediate snapshot on the insertion reaction of isocyanates into the Zn-Cp* bond of dizincocene Cp*<sub>2</sub>Zn<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","61","8643","8646","10.1039/d0cc03831h","","","0.71073","MoKα","","0.043","0.0352","","","0.0956","0.1","","","","","","1.054","","","","has coordinates","254923","2020-10-21","18:00:00",""
"7126763","9.0241","0.001","12.0224","0.0013","12.0743","0.0013","90","","110.467","0.005","90","","1227.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C25 H39 N O Zn2 -","- C25 H39 N O Zn2 -","- C50 H78 N2 O2 Zn4 -","2","0.5","","Li, Bin; Wölper, Christoph; Huse, Kevin; Schulz, Stephan","Intermediate snapshot on the insertion reaction of isocyanates into the Zn-Cp* bond of dizincocene Cp*<sub>2</sub>Zn<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","61","8643","8646","10.1039/d0cc03831h","","","0.71073","MoKα","","0.0374","0.0241","","","0.0611","0.0695","","","","","","1.082","","","","has coordinates","254923","2020-10-21","18:00:00",""
"7126764","25.661","0.002","13.0847","0.0013","12.5254","0.0012","90","","90","","90","","4205.6","0.7","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38.5 H33 Cl5 Fe2 N4 -","- C38.5 H33 Cl5 Fe2 N4 -","- C154 H132 Cl20 Fe8 N16 -","4","1","","Wang, Liang; Wang, Xiaowu; Hou, Hongbin; Zhu, Guangqian; Han, Zhenyu; Yang, Weiying; Chen, Xiao; Wang, Qinggang","An unsymmetrical binuclear iminopyridine-iron complex and its catalytic isoprene polymerization.","Chemical communications (Cambridge, England)","2020","56","62","8846","8849","10.1039/d0cc04122j","","","0.71073","MoKα","","0.1486","0.0868","","","0.198","0.2194","","","","","","1.099","","","","has coordinates,has disorder","256000","2020-10-21","18:00:00",""
"7126765","23.531","0.002","13.955","0.0011","15.0761","0.0013","90","","129.84","0.004","90","","3801.3","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cl4 Fe2 N4 -","- C40 H36 Cl4 Fe2 N4 -","- C160 H144 Cl16 Fe8 N16 -","4","0.5","","Wang, Liang; Wang, Xiaowu; Hou, Hongbin; Zhu, Guangqian; Han, Zhenyu; Yang, Weiying; Chen, Xiao; Wang, Qinggang","An unsymmetrical binuclear iminopyridine-iron complex and its catalytic isoprene polymerization.","Chemical communications (Cambridge, England)","2020","56","62","8846","8849","10.1039/d0cc04122j","","","0.71073","MoKα","","0.1831","0.0903","","","0.1997","0.2307","","","","","","1.032","","","","has coordinates","256000","2020-10-21","18:00:00",""
"7126766","5.8696","0.0004","10.0626","0.0008","20.142","0.0016","90","","90","","90","","1189.66","0.16","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","","Niu, Jia-Pan; Nie, Jing; Li, Shen; Ma, Jun-An","Organocatalytic asymmetric synthesis of β,β-diaryl ketones via one-pot tandem dehydration/1,6-addition/decarboxylation transformation of β-keto acids and 4-hydroxybenzyl alcohols.","Chemical communications (Cambridge, England)","2020","56","61","8687","8690","10.1039/d0cc02213f","","","1.54178","CuKα","","0.0417","0.0389","","","0.0918","0.0942","","","","","","1.114","","","","has coordinates","254920","2020-10-21","18:00:00",""
"7126767","5.339","0.004","15.845","0.01","23.929","0.014","90","","90","","90","","2024","2","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Cl O2 -","- C21 H17 Cl O2 -","- C84 H68 Cl4 O8 -","4","1","","Niu, Jia-Pan; Nie, Jing; Li, Shen; Ma, Jun-An","Organocatalytic asymmetric synthesis of β,β-diaryl ketones via one-pot tandem dehydration/1,6-addition/decarboxylation transformation of β-keto acids and 4-hydroxybenzyl alcohols.","Chemical communications (Cambridge, England)","2020","56","61","8687","8690","10.1039/d0cc02213f","","","0.71073","MoKα","","0.1358","0.0596","","","0.1183","0.1483","","","","","","0.942","","","","has coordinates","254920","2020-10-21","18:00:00",""
"7126768","5.6683","0.0008","12.265","0.0019","32.881","0.005","90","","90","","90","","2285.9","0.6","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Cl O4 -","- C22 H17 Cl O4 -","- C88 H68 Cl4 O16 -","4","1","","Niu, Jia-Pan; Nie, Jing; Li, Shen; Ma, Jun-An","Organocatalytic asymmetric synthesis of β,β-diaryl ketones via one-pot tandem dehydration/1,6-addition/decarboxylation transformation of β-keto acids and 4-hydroxybenzyl alcohols.","Chemical communications (Cambridge, England)","2020","56","61","8687","8690","10.1039/d0cc02213f","","","0.71073","MoKα","","0.1022","0.056","","","0.1153","0.131","","","","","","0.962","","","","has coordinates","254920","2020-10-21","18:00:00",""
"7126769","6.062","0.005","7.902","0.007","10.845","0.009","105.988","0.013","93.472","0.015","92.468","0.013","497.5","0.7","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H5 Br F2 O Se -","- C8 H5 Br F2 O Se -","- C16 H10 Br2 F4 O2 Se2 -","2","1","","Guo, Rui-Li; Zhu, Xue-Qing; Zhang, Xing-Long; Wang, Yong-Qiang","Synthesis of difluoromethylselenoesters from aldehydes via a radical process.","Chemical communications (Cambridge, England)","2020","56","63","8976","8979","10.1039/d0cc02912b","","","0.71073","MoKα","","0.088","0.0623","","","0.158","0.1755","","","","","","1.016","","","","has coordinates,has disorder","255949","2020-10-21","18:00:00",""
"7126770","8.167","0.003","9.361","0.004","12.114","0.005","97.388","0.006","97.162","0.007","106.374","0.006","868.5","0.6","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H13 F2 O3 S Se -","- C18 H13 F2 O3 S Se -","- C36 H26 F4 O6 S2 Se2 -","2","1","","Guo, Rui-Li; Zhu, Xue-Qing; Zhang, Xing-Long; Wang, Yong-Qiang","Synthesis of difluoromethylselenoesters from aldehydes via a radical process.","Chemical communications (Cambridge, England)","2020","56","63","8976","8979","10.1039/d0cc02912b","","","0.71073","MoKα","","0.0604","0.0506","","","0.1465","0.1552","","","","","","1.05","","","","has coordinates","298328","2025-03-07","16:31:39",""
"7126771","12.5375","0.0003","21.6425","0.0006","18.0088","0.0005","90","","93.428","0.002","90","","4877.8","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H60 B2 F8 N4 O4 Zn -","- C42 H60 B2 F8 N4 O4 Zn -","- C168 H240 B8 F32 N16 O16 Zn4 -","4","1","","Marinova, Maya; Bonnefont, Antoine; Achard, Thierry; Maisse-François, Aline; Bellemin-Laponnaz, Stéphane","Chiral stimuli-responsive metallo-supramolecular assembly induced by Cu<sup>II</sup>/Cu<sup>I</sup> redox change.","Chemical communications (Cambridge, England)","2020","56","61","8703","8706","10.1039/d0cc01716g","","","1.54178","CuKα","","0.1363","0.0883","","","0.2152","0.2464","","","","","","1.031","","","","has coordinates,has disorder","254925","2020-10-21","18:00:00",""
"7126772","11.9804","0.0002","14.2208","0.0003","14.3883","0.0003","82.847","0.001","81.601","0.001","83.038","0.001","2392.89","0.08","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H62 B2 Cl2 Cu F8 N4 O4 -","- C43 H62 B2 Cl2 Cu F8 N4 O4 -","- C86 H124 B4 Cl4 Cu2 F16 N8 O8 -","2","1","","Marinova, Maya; Bonnefont, Antoine; Achard, Thierry; Maisse-François, Aline; Bellemin-Laponnaz, Stéphane","Chiral stimuli-responsive metallo-supramolecular assembly induced by Cu<sup>II</sup>/Cu<sup>I</sup> redox change.","Chemical communications (Cambridge, England)","2020","56","61","8703","8706","10.1039/d0cc01716g","","","0.71073","MoKα","","0.0789","0.0576","","","0.1511","0.1689","","","","","","1.074","","","","has coordinates","254925","2020-10-21","18:00:00",""
"7126773","11.9749","0.0004","15.7608","0.0005","23.8262","0.0007","90","","90","","90","","4496.8","0.2","153","","153.02","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H28 Cl N2 O Rh -","- C25 H28 Cl N2 O Rh -","- C200 H224 Cl8 N16 O8 Rh8 -","8","1","","Wang, Jinlei; Zheng, Guangfan; Li, Xingwei","Rhodium(iii)-catalyzed diamidation of olefins via amidorhodation and further amidation.","Chemical communications (Cambridge, England)","2020","56","56","7809","7812","10.1039/d0cc00952k","","","1.54178","CuKα","","0.0241","0.0237","","","0.0577","0.058","","","","","","1.1","","","","has coordinates,has disorder","254878","2020-10-21","18:00:00",""
"7126774","9.0785","0.0003","10.6049","0.0004","13.1636","0.0005","94.492","0.002","96.629","0.001","110.761","0.001","1167.39","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H31 P -","- C28 H31 P -","- C56 H62 P2 -","2","1","","Chen, Chaohuang; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","A rare olefin 1,1-carboboration reaction opens a synthetic pathway to an unusually structured frustrated Lewis pair.","Chemical communications (Cambridge, England)","2020","56","62","8806","8809","10.1039/d0cc01255f","","","0.71073","MoKα","","0.0515","0.044","","","0.1059","0.1103","","","","","","1.047","","","","has coordinates","256008","2020-10-21","18:00:00",""
"7126775","11.3195","0.0004","12.0466","0.0003","19.8048","0.0008","78.274","0.001","83.658","0.001","79.969","0.003","2595.93","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H41 B F10 N P -","- C49 H41 B F10 N P -","- C98 H82 B2 F20 N2 P2 -","2","1","","Chen, Chaohuang; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","A rare olefin 1,1-carboboration reaction opens a synthetic pathway to an unusually structured frustrated Lewis pair.","Chemical communications (Cambridge, England)","2020","56","62","8806","8809","10.1039/d0cc01255f","","","0.71073","MoKα","","0.1011","0.0756","","","0.1613","0.1829","","","","","","1.065","","","","has coordinates,has disorder","256008","2020-10-21","18:00:00",""
"7126776","8.6994","0.0002","23.0965","0.0006","20.3461","0.0006","90","","94.248","0.001","90","","4076.82","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H46 B F10 P -","- C45 H46 B F10 P -","- C180 H184 B4 F40 P4 -","4","1","","Chen, Chaohuang; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","A rare olefin 1,1-carboboration reaction opens a synthetic pathway to an unusually structured frustrated Lewis pair.","Chemical communications (Cambridge, England)","2020","56","62","8806","8809","10.1039/d0cc01255f","","","0.71073","MoKα","","0.0721","0.0552","","","0.1211","0.1299","","","","","","1.072","","","","has coordinates,has disorder","256008","2020-10-21","18:00:00",""
"7126777","8.1976","0.0004","18.0312","0.0007","15.7056","0.0007","90","","104.521","0.002","90","","2247.33","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 P -","- C28 H31 P -","- C112 H124 P4 -","4","1","","Chen, Chaohuang; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","A rare olefin 1,1-carboboration reaction opens a synthetic pathway to an unusually structured frustrated Lewis pair.","Chemical communications (Cambridge, England)","2020","56","62","8806","8809","10.1039/d0cc01255f","","","0.71073","MoKα","","0.0511","0.043","","","0.1032","0.1087","","","","","","1.013","","","","has coordinates","256008","2020-10-21","18:00:00",""
"7126778","12.0862","0.0003","17.6699","0.0004","21.1798","0.0005","90","","99.967","0.001","90","","4454.93","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H44 B F10 O P -","- C55 H44 B F10 O P -","- C220 H176 B4 F40 O4 P4 -","4","1","","Chen, Chaohuang; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","A rare olefin 1,1-carboboration reaction opens a synthetic pathway to an unusually structured frustrated Lewis pair.","Chemical communications (Cambridge, England)","2020","56","62","8806","8809","10.1039/d0cc01255f","","","1.54178","CuKα","","0.0505","0.0395","","","0.0975","0.1021","","","","","","1.065","","","","has coordinates","256008","2020-10-21","18:00:00",""
"7126779","12.0403","0.0003","13.4516","0.0003","13.5382","0.0003","111.455","0.001","95.241","0.001","97.459","0.002","2000.43","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 B F10 P -","- C48 H38 B F10 P -","- C96 H76 B2 F20 P2 -","2","1","","Chen, Chaohuang; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","A rare olefin 1,1-carboboration reaction opens a synthetic pathway to an unusually structured frustrated Lewis pair.","Chemical communications (Cambridge, England)","2020","56","62","8806","8809","10.1039/d0cc01255f","","","0.71073","MoKα","","0.0887","0.0734","","","0.1814","0.1987","","","","","","1.088","","","","has coordinates","256008","2020-10-21","18:00:00",""
"7126780","8.585","0.0011","15.909","0.0018","37.26","0.004","97.656","0.003","91.686","0.001","95.702","0.002","5013.9","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H48 F12 Mn N8 O4 P2 -","- C50 H48 F12 Mn N8 O4 P2 -","- C200 H192 F48 Mn4 N32 O16 P8 -","4","2","","Yang, Xinda; Zhang, Duoteng; Li, Jie; Ji, Wenhui; Yang, Naidi; Gu, Shunxin; Wu, Qiong; Jiang, Qin; Shi, Pengfei; Li, Lin","A mitochondrion-targeting Mn(ii)-terpyridine complex for two-photon photodynamic therapy.","Chemical communications (Cambridge, England)","2020","56","63","9032","9035","10.1039/d0cc02051f","","","0.71073","MoKα","","0.3198","0.1639","","","0.3622","0.4189","","","","","","1.099","","","","has coordinates,has disorder","255953","2020-10-21","18:00:00",""
"7126781","16.3679","0.0001","16.3679","0.0001","16.3679","0.0001","90","","90","","90","","4385.09","0.05","173","0.1","173","0.1","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C24 H60 O18 V6 -","- C24 H60 O18 V6 -","- C96 H240 O72 V24 -","4","0.166667","","Meyer, Rachel L.; Love, Robert; Brennessel, William W.; Matson, Ellen M.","Mechanistic insights into polyoxometalate self-assembly in organic solvent: conversion of a cyclic polyoxovanadate-ethoxide to its Lindqvist congener.","Chemical communications (Cambridge, England)","2020","56","61","8607","8610","10.1039/d0cc03464a","","x-ray","1.54184","CuKα","","0.0306","0.0293","","","0.0797","0.0807","","","","","","1.071","","","","has coordinates","254930","2020-10-21","18:00:00",""
"7126782","21.5402","0.0002","22.7876","0.0002","28.6846","0.0002","90","","97.979","0.001","90","","13943.5","0.2","199.97","0.13","199.97","0.13","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C125 H130 O40 S10 -","- C125 H130 O40 S10 -","- C500 H520 O160 S40 -","4","0.5","","Ruengsuk, Araya; Khamphaijun, Korawit; Pananusorn, Puttipong; Docker, Andrew; Tantirungrotechai, Jonggol; Sukwattanasinitt, Mongkol; Harding, David J.; Bunchuay, Thanthapatra","Pertosylated pillar[5]arene: self-template assisted synthesis and supramolecular polymer formation.","Chemical communications (Cambridge, England)","2020","56","62","8739","8742","10.1039/d0cc04005c","","","1.54184","CuKα","","0.0789","0.0744","","","0.2371","0.2434","","","","","","1.057","","","","has coordinates,has disorder","256007","2020-10-21","18:00:00",""
"7126783","14.98554","0.00016","18.2946","0.0002","28.2056","0.0002","103.655","0.0009","90.0967","0.0008","113.613","0.0011","6844.65","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C135 H146 N2 O41 S10 -","- C131 H138 N2 O40 S10 -","- C262 H276 N4 O80 S20 -","2","1","","Ruengsuk, Araya; Khamphaijun, Korawit; Pananusorn, Puttipong; Docker, Andrew; Tantirungrotechai, Jonggol; Sukwattanasinitt, Mongkol; Harding, David J.; Bunchuay, Thanthapatra","Pertosylated pillar[5]arene: self-template assisted synthesis and supramolecular polymer formation.","Chemical communications (Cambridge, England)","2020","56","62","8739","8742","10.1039/d0cc04005c","","x-ray","1.54184","CuKα","","0.0754","0.07","","","0.2062","0.2118","","","","","","1.011","","","","has coordinates,has disorder","256007","2020-10-21","18:00:00",""
"7126784","11.0462","0.0017","14.645","0.002","13.553","0.002","90","","107.712","0.002","90","","2088.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N O6 -","- C22 H25 N O6 -","- C88 H100 N4 O24 -","4","1","","Babu, Kaki Raveendra; Li, Yang; Xu, Wenbo; Tang, Yuhai; Zhang, Wenquan; Xu, Silong","Multicomponent benzannulation of allylic P-ylides with isocyanates or aldehydes for construction of anilines and biaryls.","Chemical communications (Cambridge, England)","2020","56","62","8865","8868","10.1039/d0cc03461d","","","0.71073","MoKα","","0.0547","0.0409","","","0.1034","0.113","","","","","","1.024","","","","has coordinates","256002","2020-10-21","18:00:00",""
"7126785","13.3704","0.0004","15.8172","0.0005","18.5339","0.0006","90","","102.526","0.001","90","","3826.3","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Cl4 Co3 N4 -","- C38 H42 Cl4 Co3 N4 -","- C152 H168 Cl16 Co12 N16 -","4","1","","Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; Xie, Haomiao; Dunbar, Kim R.","Quinoxaline radical-bridged transition metal complexes with very strong antiferromagnetic coupling.","Chemical communications (Cambridge, England)","2020","56","64","9122","9125","10.1039/d0cc03713c","","x-ray","1.54178","CuKα","","0.0588","0.0505","","","0.1133","0.1207","","","","","","1.051","","","","has coordinates","255974","2020-10-21","18:00:00",""
"7126786","13.302","0.006","15.821","0.007","18.6","0.008","90","","102.662","0.006","90","","3819","3","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Cl4 Co N4 Zn2 -","- C38 H42 Cl4 Co N4 Zn2 -","- C152 H168 Cl16 Co4 N16 Zn8 -","4","1","","Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; Xie, Haomiao; Dunbar, Kim R.","Quinoxaline radical-bridged transition metal complexes with very strong antiferromagnetic coupling.","Chemical communications (Cambridge, England)","2020","56","64","9122","9125","10.1039/d0cc03713c","","x-ray","0.71073","MoKα","","0.0841","0.0582","","","0.1442","0.1676","","","","","","1.065","","","","has coordinates","255974","2020-10-21","18:00:00",""
"7126787","13.44","0.003","15.842","0.003","18.607","0.004","90","","102.501","0.01","90","","3867.8","1.4","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Cl4 Co Fe2 N4 -","- C38 H42 Cl4 Co Fe2 N4 -","- C152 H168 Cl16 Co4 Fe8 N16 -","4","1","","Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; Xie, Haomiao; Dunbar, Kim R.","Quinoxaline radical-bridged transition metal complexes with very strong antiferromagnetic coupling.","Chemical communications (Cambridge, England)","2020","56","64","9122","9125","10.1039/d0cc03713c","","x-ray","0.71073","MoKα","","0.0309","0.0271","","","0.0666","0.0692","","","","","","1.041","","","","has coordinates","255974","2020-10-21","18:00:00",""
"7126788","10.454","0.0004","11.2457","0.0005","22.6586","0.0009","77.86","0.002","79.348","0.002","82.174","0.002","2546.2","0.18","297","2","297.09","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H68 N12 O3 -","- C50 H68 N12 O3 -","- C100 H136 N24 O6 -","2","1","","He, Ying-Chun; Yan, Yan-Mei; Tong, Hong-Bo; Ren, Zhen-Xing; Wang, Jun-Hong; Zhang, Yong-Bin; Chao, Jian-Bin; Wang, Meng-Liang","Benzenebistriazole-strapped calix[4]pyrrole: a neutral anion receptor with CH and NH donor groups that exhibits high sulfate binding affinity and selectivity in aqueous solutions.","Chemical communications (Cambridge, England)","2020","56","65","9364","9367","10.1039/d0cc03655b","","","0.71073","MoKα","","0.073","0.0579","","","0.1363","0.1524","","","","","","1.045","","","","has coordinates","256022","2020-10-21","18:00:00",""
"7126789","14.1432","0.0007","19.0048","0.0009","21.5747","0.0011","90","","99.75","0.002","90","","5715.3","0.5","190","2","190","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H80 N12 O5 S -","- C53 H80 N12 O5 S -","- C212 H320 N48 O20 S4 -","4","1","","He, Ying-Chun; Yan, Yan-Mei; Tong, Hong-Bo; Ren, Zhen-Xing; Wang, Jun-Hong; Zhang, Yong-Bin; Chao, Jian-Bin; Wang, Meng-Liang","Benzenebistriazole-strapped calix[4]pyrrole: a neutral anion receptor with CH and NH donor groups that exhibits high sulfate binding affinity and selectivity in aqueous solutions.","Chemical communications (Cambridge, England)","2020","56","65","9364","9367","10.1039/d0cc03655b","","","0.71073","MoKα","","0.113","0.0835","","","0.2444","0.2695","","","","","","1.085","","","","has coordinates,has disorder","256022","2020-10-21","18:00:00",""
"7126790","19.637","0.004","27.707","0.006","19.921","0.004","90","","90","","90","","10839","4","100","","100","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C104.5 H76.5 B4 F16 Fe2 N16 O6.5 S6 -","- C104.5 H76.5 B4 F16 Fe2 N16 O6.5 S6 -","- C418 H306 B16 F64 Fe8 N64 O26 S24 -","4","1","","Howard-Smith, Kyle J; Craze, Alexander R.; Zenno, Hikaru; Yagyu, Junya; Hayami, Shinya; Li, Feng","A large dinuclear Fe(ii) triple helicate demonstrating a two-step spin crossover.","Chemical communications (Cambridge, England)","2020","56","62","8838","8841","10.1039/d0cc03708g","","","0.71073","MoKα","","0.0688","0.0582","","","0.177","0.1904","","","","","","1.036","","","","has coordinates,has disorder","256004","2020-10-21","18:00:00",""
"7126791","19.69","0.004","27.779","0.006","19.967","0.004","90","","90","","90","","10921","4","150","","150","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C102.22 H75.65 B4 F16 Fe2 N15 O6.25 S6 -","- C102.264 H73.676 B4 F16 Fe2 N15 O6.25 S6 -","- C409.056 H294.704 B16 F64 Fe8 N60 O25 S24 -","4","1","","Howard-Smith, Kyle J; Craze, Alexander R.; Zenno, Hikaru; Yagyu, Junya; Hayami, Shinya; Li, Feng","A large dinuclear Fe(ii) triple helicate demonstrating a two-step spin crossover.","Chemical communications (Cambridge, England)","2020","56","62","8838","8841","10.1039/d0cc03708g","","","0.71073","MoKα","","0.0693","0.0571","","","0.1733","0.1901","","","","","","1.048","","","","has coordinates,has disorder","256004","2020-10-21","18:00:00",""
"7126792","20.127","0.004","27.951","0.006","19.854","0.004","90","","90","","90","","11169","4","250","","250","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C101 H72.5 B4 F15.8 Fe2 N14.5 O6 S6 -","- C101 H72.5 B4 F15.8 Fe2 N14.5 O6 S6 -","- C404 H290 B16 F63.2 Fe8 N58 O24 S24 -","4","0.5","","Howard-Smith, Kyle J; Craze, Alexander R.; Zenno, Hikaru; Yagyu, Junya; Hayami, Shinya; Li, Feng","A large dinuclear Fe(ii) triple helicate demonstrating a two-step spin crossover.","Chemical communications (Cambridge, England)","2020","56","62","8838","8841","10.1039/d0cc03708g","","","0.71073","MoKα","","0.1136","0.096","","","0.2987","0.3219","","","","","","1.256","","","","has coordinates,has disorder","256004","2020-10-21","18:00:00",""
"7126793","19.772","0.004","27.872","0.006","20.025","0.004","90","","90","","90","","11035","4","200","","200","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C101.17 H72.75 B4 F16 Fe2 N14.58 O6 S6 -","- C101.167 H71.75 B4 F16 Fe2 N14.5833 O6 S6 -","- C404.666 H287 B16 F64 Fe8 N58.3332 O24 S24 -","4","1","","Howard-Smith, Kyle J; Craze, Alexander R.; Zenno, Hikaru; Yagyu, Junya; Hayami, Shinya; Li, Feng","A large dinuclear Fe(ii) triple helicate demonstrating a two-step spin crossover.","Chemical communications (Cambridge, England)","2020","56","62","8838","8841","10.1039/d0cc03708g","","","0.71073","MoKα","","0.1037","0.0888","","","0.2465","0.2745","","","","","","1.083","","","","has coordinates,has disorder","256004","2020-10-21","18:00:00",""
"7126794","13.3593","0.0015","16.3964","0.0017","17.537","0.002","90","","108.015","0.005","90","","3653.1","0.7","150","2","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 B Cu N4 P2 -","- C42 H42 B Cu N4 P2 -","- C168 H168 B4 Cu4 N16 P8 -","4","0.5","","Lee, Kyounghoon; Lai, Po-Ni; Parveen, Riffat; Donahue, Courtney M.; Wymore, Mikayla M.; Massman, Blake A.; Vlaisavljevich, Bess; Teets, Thomas S.; Daly, Scott R.","Modifying the luminescent properties of a Cu(i) diphosphine complex using ligand-centered reactions in single crystals.","Chemical communications (Cambridge, England)","2020","56","64","9110","9113","10.1039/d0cc03427d","","","0.71073","MoKα","","0.0479","0.0346","","","0.0826","0.0873","","","","","","1.059","","","","has coordinates","255972","2020-10-21","18:00:00",""
"7126795","12.4036","0.0012","19.0304","0.0019","12.5089","0.0013","90","","105.131","0.005","90","","2850.3","0.5","190","2","190.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 B Cl Cu N3 P2 -","- C30 H32 B Cl Cu N3 P2 -","- C120 H128 B4 Cl4 Cu4 N12 P8 -","4","1","","Lee, Kyounghoon; Lai, Po-Ni; Parveen, Riffat; Donahue, Courtney M.; Wymore, Mikayla M.; Massman, Blake A.; Vlaisavljevich, Bess; Teets, Thomas S.; Daly, Scott R.","Modifying the luminescent properties of a Cu(i) diphosphine complex using ligand-centered reactions in single crystals.","Chemical communications (Cambridge, England)","2020","56","64","9110","9113","10.1039/d0cc03427d","","","0.71073","MoKα","","0.0444","0.0309","","","0.1089","0.1261","","","","","","0.983","","","","has coordinates","255972","2020-10-21","18:00:00",""
"7126796","11.194","0.0011","21.08","0.002","13.3883","0.0013","90","","107.235","0.005","90","","3017.4","0.5","150","2","150.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 B Cl Cu N3 O P2 -","- C31 H36 B Cl Cu N3 O P2 -","- C124 H144 B4 Cl4 Cu4 N12 O4 P8 -","4","1","","Lee, Kyounghoon; Lai, Po-Ni; Parveen, Riffat; Donahue, Courtney M.; Wymore, Mikayla M.; Massman, Blake A.; Vlaisavljevich, Bess; Teets, Thomas S.; Daly, Scott R.","Modifying the luminescent properties of a Cu(i) diphosphine complex using ligand-centered reactions in single crystals.","Chemical communications (Cambridge, England)","2020","56","64","9110","9113","10.1039/d0cc03427d","","","0.71073","MoKα","","0.1001","0.0479","","","0.0895","0.106","","","","","","1.013","","","","has coordinates,has disorder","255972","2020-10-21","18:00:00",""
"7126797","25.6587","0.0008","25.6587","0.0008","10.1334","0.0005","90","","90","","120","","5777.7","0.4","100","2","100","","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C93 H78 N9 O19 Zn4 -","- C93 H78 N9 O19 Zn4 -","- C186 H156 N18 O38 Zn8 -","2","0.333333","","Tang, Haitong; Yang, Keke; Wang, Kun-Yu; Meng, Qi; Wu, Fan; Fang, Yu; Wu, Xiang; Li, Yougui; Zhang, WenCheng; Luo, Yunfei; Zhu, Chengfeng; Zhou, Hong-Cai","Engineering a homochiral metal-organic framework based on an amino acid for enantioselective separation.","Chemical communications (Cambridge, England)","2020","56","63","9016","9019","10.1039/d0cc00897d","","","0.65247","Synchrotron","","0.0739","0.0663","","","0.1837","0.1905","","","","","","1.066","","","","has coordinates,has disorder","255954","2020-10-21","18:00:00",""
"7126798","3.8712","0.0016","6.84","0.003","23.77","0.009","90","","90","","90","","629.4","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-methyl-1H-imidazole-4,5-dicarbaldehyde","","- C6 H6 N2 O2 -","- C6 H6 N2 O2 -","- C24 H24 N8 O8 -","4","1","","Appel, Sebastian; Brüggemann, Peter; Ganter, Christian","A tropylium annulated N-heterocyclic carbene.","Chemical communications (Cambridge, England)","2020","56","63","9020","9023","10.1039/d0cc04482b","","","0.71073","MoKα","","0.0479","0.0416","","","0.1037","0.1071","","","","","","1.114","","","","has coordinates","255952","2020-10-21","18:00:00",""
"7126799","6.0018","0.0005","8.6564","0.0007","14.5956","0.0013","90","","90","","90","","758.3","0.11","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 N2 -","- C9 H10 N2 -","- C36 H40 N8 -","4","1","","Appel, Sebastian; Brüggemann, Peter; Ganter, Christian","A tropylium annulated N-heterocyclic carbene.","Chemical communications (Cambridge, England)","2020","56","63","9020","9023","10.1039/d0cc04482b","","","0.71073","MoKα","","0.0395","0.0355","","","0.0951","0.0981","","","","","","1.064","","","","has coordinates","255952","2020-10-21","18:00:00",""
"7126800","12.1299","0.0018","6.2796","0.001","16.088","0.003","90","","94.965","0.006","90","","1220.8","0.4","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 B F4 N2 Se -","- C10 H11 B F4 N2 Se -","- C40 H44 B4 F16 N8 Se4 -","4","1","","Appel, Sebastian; Brüggemann, Peter; Ganter, Christian","A tropylium annulated N-heterocyclic carbene.","Chemical communications (Cambridge, England)","2020","56","63","9020","9023","10.1039/d0cc04482b","","","0.71073","MoKα","","0.0603","0.0506","","","0.1353","0.1399","","","","","","1.113","","","","has coordinates","255952","2020-10-21","18:00:00",""
"7126801","5.8033","0.0008","10.5327","0.0015","16.799","0.003","90","","90","","90","","1026.8","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 N2 Se -","- C10 H12 N2 Se -","- C40 H48 N8 Se4 -","4","1","","Appel, Sebastian; Brüggemann, Peter; Ganter, Christian","A tropylium annulated N-heterocyclic carbene.","Chemical communications (Cambridge, England)","2020","56","63","9020","9023","10.1039/d0cc04482b","","","0.71073","MoKα","","0.0571","0.0407","","","0.1036","0.1114","","","","","","1.063","","","","has coordinates","255952","2020-10-21","18:00:00",""
"7126802","6.8205","0.0004","12.3993","0.0007","21.2683","0.0012","90","","90.48","0.003","90","","1798.58","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,3-dimethylcyclohepta[d]imidazole-1,3-diium-trifluoromethanesulfonate","","- C12 H12 F6 N2 O6 S2 -","- C12 H12 F6 N2 O6 S2 -","- C48 H48 F24 N8 O24 S8 -","4","1","","Appel, Sebastian; Brüggemann, Peter; Ganter, Christian","A tropylium annulated N-heterocyclic carbene.","Chemical communications (Cambridge, England)","2020","56","63","9020","9023","10.1039/d0cc04482b","","","1.54178","CuKα","","0.0775","0.0751","","","0.2063","0.2092","","","","","","1.039","","","","has coordinates","255952","2020-10-21","18:00:00",""
"7126803","8.0887","0.0004","20.767","0.001","11.8752","0.0006","90","","106.634","0.002","90","","1911.3","0.16","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 B Cl F4 N2 Rh -","- C18 H23 B Cl F4 N2 Rh -","- C72 H92 B4 Cl4 F16 N8 Rh4 -","4","1","","Appel, Sebastian; Brüggemann, Peter; Ganter, Christian","A tropylium annulated N-heterocyclic carbene.","Chemical communications (Cambridge, England)","2020","56","63","9020","9023","10.1039/d0cc04482b","","","0.71073","MoKα","","0.0276","0.023","","","0.055","0.0575","","","","","","1.074","","","","has coordinates","255952","2020-10-21","18:00:00",""
"7126804","10.4247","0.0003","14.2467","0.0008","15.6532","0.0006","85.418","0.004","85.632","0.003","89.424","0.003","2310.6","0.17","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 Bi2 Cl10 N4 -","- C36 H52 Bi2 Cl10 N4 -","- C72 H104 Bi4 Cl20 N8 -","2","1","","Dashitsyrenova, Dolgor D.; Adonin, Sergey A.; Gorokh, Igor D.; Kraevaya, Olga A.; Pavlova, Alina V.; Abramov, Pavel A.; Frolova, Lyubov A.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.","Memory devices based on novel alkyl viologen halobismuthate(iii) complexes.","Chemical communications (Cambridge, England)","2020","56","64","9162","9165","10.1039/d0cc03732j","","x-ray","0.71073","MoKα","","0.0676","0.0369","","","0.0608","0.0714","","","","","","0.999","","","","has coordinates,has disorder","255970","2020-10-21","18:00:00",""
"7126805","11.8794","0.0004","12.036","0.0005","20.2002","0.0007","92.755","0.003","105.01","0.003","104.72","0.003","2678.01","0.18","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H60 Bi2 Br10 N4 -","- C40 H60 Bi2 Br10 N4 -","- C80 H120 Bi4 Br20 N8 -","2","1","","Dashitsyrenova, Dolgor D.; Adonin, Sergey A.; Gorokh, Igor D.; Kraevaya, Olga A.; Pavlova, Alina V.; Abramov, Pavel A.; Frolova, Lyubov A.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.","Memory devices based on novel alkyl viologen halobismuthate(iii) complexes.","Chemical communications (Cambridge, England)","2020","56","64","9162","9165","10.1039/d0cc03732j","","x-ray","0.71073","MoKα","","0.0667","0.0396","","","0.0518","0.0568","","","","","","0.927","","","","has coordinates,has disorder","255970","2020-10-21","18:00:00",""
"7126806","11.2548","0.0005","11.3269","0.0007","11.4527","0.0006","77.607","0.005","69.581","0.005","68.028","0.005","1262.94","0.13","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H59 Bi2 Cl10 N4 -","- C40 H59 Bi2 Cl10 N4 -","- C40 H59 Bi2 Cl10 N4 -","1","0.5","","Dashitsyrenova, Dolgor D.; Adonin, Sergey A.; Gorokh, Igor D.; Kraevaya, Olga A.; Pavlova, Alina V.; Abramov, Pavel A.; Frolova, Lyubov A.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.","Memory devices based on novel alkyl viologen halobismuthate(iii) complexes.","Chemical communications (Cambridge, England)","2020","56","64","9162","9165","10.1039/d0cc03732j","","x-ray","0.71073","MoKα","","0.0331","0.0271","","","0.0438","0.0461","","","","","","1.001","","","","has coordinates,has disorder","255970","2020-10-21","18:00:00",""
"7126807","10.4555","0.0003","11.4437","0.0005","12.2399","0.0005","75.666","0.003","67.787","0.003","65.258","0.003","1224.38","0.09","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 Bi2 Br10 N4 -","- C36 H52 Bi2 Br10 N4 -","- C36 H52 Bi2 Br10 N4 -","1","0.5","","Dashitsyrenova, Dolgor D.; Adonin, Sergey A.; Gorokh, Igor D.; Kraevaya, Olga A.; Pavlova, Alina V.; Abramov, Pavel A.; Frolova, Lyubov A.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.","Memory devices based on novel alkyl viologen halobismuthate(iii) complexes.","Chemical communications (Cambridge, England)","2020","56","64","9162","9165","10.1039/d0cc03732j","","x-ray","0.71073","MoKα","","0.0455","0.0404","","","0.0935","0.0973","","","","","","1.024","","","","has coordinates,has disorder","255970","2020-10-21","18:00:00",""
"7126808","46.5535","0.0003","46.5535","0.0003","18.2299","0.0002","90","","90","","120","","34215.2","0.5","100","0.2","100","0.2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C102 H214 Ca10 N10 Si4 -","- C102 H214 Ca10 N10 Si4 -","- C918 H1926 Ca90 N90 Si36 -","9","0.5","","Martin, Johannes; Eyselein, Jonathan; Langer, Jens; Elsen, Holger; Harder, Sjoerd","Large decanuclear calcium and strontium hydride clusters.","Chemical communications (Cambridge, England)","2020","56","64","9178","9181","10.1039/d0cc04330c","","x-ray","1.54184","CuKα","","0.0491","0.0442","","","0.1152","0.1209","","","","","","1.056","","","","has coordinates,has disorder","255967","2020-10-21","18:00:00",""
"7126809","15.0995","0.0003","18.8526","0.0003","28.8886","0.0005","100.413","0.0014","91.1677","0.0013","110.944","0.0015","7521.3","0.2","240","0.1","240","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C123 H238 N10 Si4 Sr10 -","- C116 H230 N10 Si4 Sr10 -","- C232 H460 N20 Si8 Sr20 -","2","1","","Martin, Johannes; Eyselein, Jonathan; Langer, Jens; Elsen, Holger; Harder, Sjoerd","Large decanuclear calcium and strontium hydride clusters.","Chemical communications (Cambridge, England)","2020","56","64","9178","9181","10.1039/d0cc04330c","","x-ray","1.54184","CuKα","","0.0692","0.0591","","","0.1555","0.1639","","","","","","1.035","","","","has coordinates,has disorder","255967","2020-10-21","18:00:00",""
"7126810","10.0045","0.0017","14.86","0.003","16.494","0.003","76.859","0.015","76.555","0.014","72.955","0.013","2246.5","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C81 H19 Cl O -","- C81 H19 Cl O -","- C162 H38 Cl2 O2 -","2","1","","Li, Fei; Shang, Yanbo; Niu, Chuang; Li, Chao; Huang, Xinmin; Xu, Guoyong; Xuan, Jun; Zhou, Hongping; Yang, Shangfeng","Potassium salt promoted regioselective three-component coupling synthesis of 1,4-asymmetrical [60]fullerene bisadducts with superior electron transport properties.","Chemical communications (Cambridge, England)","2020","56","66","9513","9516","10.1039/d0cc03857a","","","1.54186","CuKα","","0.1175","0.0805","","","0.2039","0.2378","","","","","","1.019","","","","has coordinates","298703","2025-04-03","05:34:20",""
"7126811","11.5628","0.0002","11.2503","0.0002","22.9994","0.0005","90","","93.55","0.002","90","","2986.14","0.1","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H41 F6 Ir N3 O P3 -","- C22 H41 F6 Ir N3 O P3 -","- C88 H164 F24 Ir4 N12 O4 P12 -","4","0.5","","Hu, Gongfang; Jiang, Jianbing Jimmy; Kelly, H. Ray; Matula, Adam J.; Wu, Yueshen; Romano, Neyen; Mercado, Brandon Q.; Wang, Hailiang; Batista, Victor S.; Crabtree, Robert H.; Brudvig, Gary W.","Surprisingly big linker-dependence of activity and selectivity in CO<sub>2</sub> reduction by an iridium(i) pincer complex.","Chemical communications (Cambridge, England)","2020","56","64","9126","9129","10.1039/d0cc03207g","","","0.71073","MoKα","","0.0492","0.0488","","","0.1212","0.1214","","","","","","1.082","","","","has coordinates","255969","2020-10-21","18:00:00",""
"7126812","8.4834","0.0002","27.8076","0.0007","12.4613","0.0002","90","","91.593","0.002","90","","2938.52","0.11","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H39 F6 Ir N O3 P3 -","- C22 H39 F6 Ir N O3 P3 -","- C88 H156 F24 Ir4 N4 O12 P12 -","4","1","","Hu, Gongfang; Jiang, Jianbing Jimmy; Kelly, H. Ray; Matula, Adam J.; Wu, Yueshen; Romano, Neyen; Mercado, Brandon Q.; Wang, Hailiang; Batista, Victor S.; Crabtree, Robert H.; Brudvig, Gary W.","Surprisingly big linker-dependence of activity and selectivity in CO<sub>2</sub> reduction by an iridium(i) pincer complex.","Chemical communications (Cambridge, England)","2020","56","64","9126","9129","10.1039/d0cc03207g","","","0.71073","MoKα","","0.0292","0.0268","","","0.0654","0.0666","","","","","","1.09","","","","has coordinates","255969","2020-10-21","18:00:00",""
"7126813","16.342","0.002","23.291","0.003","24.187","0.004","113.031","0.009","90.664","0.014","100.204","0.01","8305","2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C118 H214 N2 O28 Si16 Yb2 -","- C118 H214 N2 O28 Si16 Yb2 -","- C236 H428 N4 O56 Si32 Yb4 -","2","1","","Willauer, Aurélien R; Dabrowska, Anna M.; Scopelliti, Rosario; Mazzanti, Marinella","Structure and small molecule activation reactivity of a metallasilsesquioxane of divalent ytterbium.","Chemical communications (Cambridge, England)","2020","56","63","8936","8939","10.1039/d0cc04197a","","","0.71073","MoKα","","0.1028","0.0643","","","0.1533","0.1771","","","","","","1.042","","","","has coordinates,has disorder","255951","2020-10-21","18:00:00",""
"7126814","16.788","0.003","30.084","0.005","25.587","0.003","90","","90.57","0.01","90","","12922","3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H188 O26 Si16 Yb2 -","- C98 H188 O26 Si16 Yb2 -","- C392 H752 O104 Si64 Yb8 -","4","1","","Willauer, Aurélien R; Dabrowska, Anna M.; Scopelliti, Rosario; Mazzanti, Marinella","Structure and small molecule activation reactivity of a metallasilsesquioxane of divalent ytterbium.","Chemical communications (Cambridge, England)","2020","56","63","8936","8939","10.1039/d0cc04197a","","","0.71073","MoKα","","0.196","0.1206","","","0.2536","0.2935","","","","","","1.116","","","","has coordinates,has disorder","255951","2020-10-21","18:00:00",""
"7126815","14.8226","0.0012","9.0342","0.0007","23.887","0.002","90","","90","","90","","3198.7","0.4","100","0.1","100","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H20 O2 -","- C21 H20 O2 -","- C168 H160 O16 -","8","1","","Li, Jian; Yang, Fang; Hu, Weiwei; Ren, Bo; Chen, Zi-Sheng; Ji, Kegong","Gold(i)-catalyzed tandem cyclization of cyclopropylidene-tethered propargylic alcohols: an approach to functionalized naphtho[2,3-c]pyrans.","Chemical communications (Cambridge, England)","2020","56","64","9154","9157","10.1039/d0cc03285a","","x-ray","0.71073","MoKα","","0.0683","0.0457","","","0.0904","0.1023","","","","","","1.07","","","","has coordinates","255975","2020-10-21","18:00:00",""
"7126816","21.265","0.002","21.265","0.002","69.25","0.008","90","","90","","120","","27119","5","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C204 H162 Cu12 N12 O48 -","- C204 H162 Cu12 N12 O48 -","- C612 H486 Cu36 N36 O144 -","3","0.166667","","Rowland, Casey A.; Lorzing, Gregory R.; Bhattacharjee, Rameswar; Caratzoulas, Stavros; Yap, Glenn P. A.; Bloch, Eric D.","Design and synthesis of aryl-functionalized carbazole-based porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","65","9352","9355","10.1039/d0cc03910a","","","1.54178","CuKα","","0.1543","0.088","","","0.2481","0.2803","","","","","","1.151","","","","has coordinates","256025","2020-10-21","18:00:00",""
"7126817","26.357","0.006","26.357","0.006","56.276","0.013","90","","90","","120","","33857","13","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C828 H612 Mo36 N36 O180 -","- C828 H612 Mo36 N36 O180 -","- C828 H612 Mo36 N36 O180 -","1","0.0555556","","Rowland, Casey A.; Lorzing, Gregory R.; Bhattacharjee, Rameswar; Caratzoulas, Stavros; Yap, Glenn P. A.; Bloch, Eric D.","Design and synthesis of aryl-functionalized carbazole-based porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","65","9352","9355","10.1039/d0cc03910a","","","1.54178","CuKα","","0.1041","0.0949","","","0.306","0.318","","","","","","1.356","","","","has coordinates","256025","2020-10-21","18:00:00",""
"7126818","59.221","0.004","23.4873","0.0015","41.898","0.002","90","","125.318","0.003","90","","47552","5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C242 H146 Mo12 N16 O54 -","- C242 H146 Mo12 N16 O54 -","- C968 H584 Mo48 N64 O216 -","4","0.5","","Rowland, Casey A.; Lorzing, Gregory R.; Bhattacharjee, Rameswar; Caratzoulas, Stavros; Yap, Glenn P. A.; Bloch, Eric D.","Design and synthesis of aryl-functionalized carbazole-based porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","65","9352","9355","10.1039/d0cc03910a","","","1.54178","CuKα","","0.1508","0.0929","","","0.2457","0.3044","","","","","","1","","","","has coordinates","256025","2020-10-21","18:00:00",""
"7126819","42.1022","0.0012","27.7671","0.0008","37.031","0.001","90","","104.565","0.0014","90","","41900","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C240 H120 Br12 Cr12 N12 O60 -","- C240 H120 Br12 Cr12 N12 O60 -","- C960 H480 Br48 Cr48 N48 O240 -","4","0.5","","Rowland, Casey A.; Lorzing, Gregory R.; Bhattacharjee, Rameswar; Caratzoulas, Stavros; Yap, Glenn P. A.; Bloch, Eric D.","Design and synthesis of aryl-functionalized carbazole-based porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","65","9352","9355","10.1039/d0cc03910a","","","1.54178","CuKα","","0.1831","0.1121","","","0.3113","0.3726","","","","","","1.249","","","","has coordinates,has disorder","256025","2020-10-21","18:00:00",""
"7126820","35.9602","0.0019","35.9602","0.0019","36.207","0.002","90","","90","","120","","40548","4","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C384 H216 Cu12 N24 O60 -","- C384 H216 Cu12 N24 O60 -","- C1152 H648 Cu36 N72 O180 -","3","0.166667","","Rowland, Casey A.; Lorzing, Gregory R.; Bhattacharjee, Rameswar; Caratzoulas, Stavros; Yap, Glenn P. A.; Bloch, Eric D.","Design and synthesis of aryl-functionalized carbazole-based porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","65","9352","9355","10.1039/d0cc03910a","","","1.54178","CuKα","","0.2874","0.175","","","0.4446","0.5072","","","","","","1.697","","","","has coordinates","256025","2020-10-21","18:00:00",""
"7126821","20.2176","0.0008","22.8067","0.0008","40.8077","0.0014","90","","100.344","0.002","90","","18510.5","1.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C240 H132 Cu12 N12 O60 -","- C240 H132 Cu12 N12 O60 -","- C480 H264 Cu24 N24 O120 -","2","0.5","","Rowland, Casey A.; Lorzing, Gregory R.; Bhattacharjee, Rameswar; Caratzoulas, Stavros; Yap, Glenn P. A.; Bloch, Eric D.","Design and synthesis of aryl-functionalized carbazole-based porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","65","9352","9355","10.1039/d0cc03910a","","","1.54178","CuKα","","0.1897","0.1281","","","0.3585","0.4134","","","","","","1.428","","","","has coordinates,has disorder","256025","2020-10-21","18:00:00",""
"7126822","19.686","0.003","27.191","0.003","39.897","0.005","90","","93.427","0.003","90","","21318","5","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C312 H180 Mo12 N12 O48 -","- C288 H160 Mo12 N12 O48 -","- C576 H320 Mo24 N24 O96 -","2","0.5","","Rowland, Casey A.; Lorzing, Gregory R.; Bhattacharjee, Rameswar; Caratzoulas, Stavros; Yap, Glenn P. A.; Bloch, Eric D.","Design and synthesis of aryl-functionalized carbazole-based porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","65","9352","9355","10.1039/d0cc03910a","","","1.54178","CuKα","","0.1969","0.1175","","","0.28","0.3528","","","","","","0.965","","","","has coordinates","256025","2020-10-21","18:00:00",""
"7126823","26.9417","0.0014","26.9492","0.0014","35.287","0.002","90","","90.249","0.003","90","","25620","2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C260 H140 Br12 Cu12 N18 O54 -","- C260 H140 Br12 Cu12 N18 O54 -","- C520 H280 Br24 Cu24 N36 O108 -","2","0.5","","Rowland, Casey A.; Lorzing, Gregory R.; Bhattacharjee, Rameswar; Caratzoulas, Stavros; Yap, Glenn P. A.; Bloch, Eric D.","Design and synthesis of aryl-functionalized carbazole-based porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","65","9352","9355","10.1039/d0cc03910a","","","1.54178","CuKα","","0.1901","0.1652","","","0.4135","0.4347","","","","","","1.658","","","","has coordinates","256025","2020-10-21","18:00:00",""
"7126824","7.3787","0.0009","15.3471","0.0019","14.9299","0.0018","90","","96.703","0.004","90","","1679.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 N10 O14 Zn3 -","- C28 H32 N10 O14 Zn3 -","- C56 H64 N20 O28 Zn6 -","2","0.5","","Liu, Jiao; Zhao, Ying; Dang, Li-Long; Yang, Guoping; Ma, Lu-Fang; Li, Dong-Sheng; Wang, Yaoyu","Highly stable 3D porous HMOF with enhanced catalysis and fine color regulation by the combination of d- and p-ions when compared with those of its monometallic MOFs.","Chemical communications (Cambridge, England)","2020","56","62","8758","8761","10.1039/d0cc03111a","","","0.71073","MoKα","","0.0313","0.0233","","","0.0698","0.083","","","","","","1.038","","","","has coordinates","255999","2020-10-21","18:00:00",""
"7126825","7.0192","0.001","12.1615","0.0018","14.3322","0.0019","66.712","0.004","85.198","0.004","89.169","0.005","1119.6","0.3","150","2","149.98","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H11 N8 O10 Pb2 -","- C18 H12 N8 O10 Pb2 -","- C36 H24 N16 O20 Pb4 -","2","1","","Liu, Jiao; Zhao, Ying; Dang, Li-Long; Yang, Guoping; Ma, Lu-Fang; Li, Dong-Sheng; Wang, Yaoyu","Highly stable 3D porous HMOF with enhanced catalysis and fine color regulation by the combination of d- and p-ions when compared with those of its monometallic MOFs.","Chemical communications (Cambridge, England)","2020","56","62","8758","8761","10.1039/d0cc03111a","","","0.71073","MoKα","","0.0896","0.0564","","","0.143","0.1657","","","","","","1.045","","","","has coordinates","255999","2020-10-21","18:00:00",""
"7126826","20.796","0.004","22.171","0.004","6.8392","0.0012","90","","105.035","0.005","90","","3045.4","1","158","2","158.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H5 N4 O5 Pb Zn0.5 -","- C9 H5 N4 O5 Pb Zn0.5 -","- C72 H40 N32 O40 Pb8 Zn4 -","8","1","","Liu, Jiao; Zhao, Ying; Dang, Li-Long; Yang, Guoping; Ma, Lu-Fang; Li, Dong-Sheng; Wang, Yaoyu","Highly stable 3D porous HMOF with enhanced catalysis and fine color regulation by the combination of d- and p-ions when compared with those of its monometallic MOFs.","Chemical communications (Cambridge, England)","2020","56","62","8758","8761","10.1039/d0cc03111a","","","0.71073","MoKα","","0.0639","0.0566","","","0.1424","0.147","","","","","","1.083","","","","has coordinates","255999","2020-10-21","18:00:00",""
"7126827","7.8806","0.0003","8.6623","0.0003","19.524","0.0007","90","","95.543","0.001","90","","1326.56","0.08","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DCDNF","","","- C15 H4 N4 O5 -","- C15 H4 N4 O5 -","- C60 H16 N16 O20 -","4","1","","Niazi, Muhammad Rizwan; Hamzehpoor, Ehsan; Ghamari, Pegah; Perepichka, Igor F.; Perepichka, Dmitrii F.","Nitroaromatics as n-type organic semiconductors for field effect transistors.","Chemical communications (Cambridge, England)","2020","56","47","6432","6435","10.1039/d0cc01236j","","x-ray","1.54178","CuKα","","0.0334","0.0331","","","0.0879","0.0881","","","","","","1.041","","","","has coordinates","253761","2020-10-21","18:00:00",""
"7126828","11.3658","0.0011","12.2954","0.0009","12.4661","0.0014","90","","102.113","0.005","90","","1703.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 F O S2 -","- C22 H13 F O S2 -","- C88 H52 F4 O4 S8 -","4","1","","Sundaravelu, Nallappan; Sekar, Govindasamy","Cu-Catalyzed one-pot synthesis of thiochromeno-quinolinone and thiochromeno-thioflavone via oxidative double hetero Michael addition using in situ generated nucleophiles.","Chemical communications (Cambridge, England)","2020","56","62","8826","8829","10.1039/d0cc03210g","","","0.71073","MoKα","","0.1012","0.0425","","","0.0781","0.0995","","","","","","0.999","","","","has coordinates","255998","2020-10-21","18:00:00",""
"7126829","11.1152","0.0003","12.7185","0.0004","12.9078","0.0005","90","","103.703","0.0014","90","","1772.82","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 O S2 -","- C23 H16 O S2 -","- C92 H64 O4 S8 -","4","1","","Sundaravelu, Nallappan; Sekar, Govindasamy","Cu-Catalyzed one-pot synthesis of thiochromeno-quinolinone and thiochromeno-thioflavone via oxidative double hetero Michael addition using in situ generated nucleophiles.","Chemical communications (Cambridge, England)","2020","56","62","8826","8829","10.1039/d0cc03210g","","","0.71073","MoKα","","0.0465","0.0341","","","0.0757","0.0843","","","","","","0.988","","","","has coordinates","255998","2020-10-21","18:00:00",""
"7126830","13.359","0.0011","13.2038","0.0011","17.1923","0.0014","90","","108.975","0.001","90","","2867.8","0.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H66 Au2 N21 O4 P4 Ru2 -","- C43 H66 Au2 N21 O4 P4 Ru2 -","- C86 H132 Au4 N42 O8 P8 Ru4 -","2","0.5","","Scalambra, Franco; Sierra-Martin, Benjamin; Serrano-Ruiz, Manuel; Fernandez-Barbero, Antonio; Romerosa, Antonio","First exfoliated Ru-Ru-Au organometallic polymer with layered structure.","Chemical communications (Cambridge, England)","2020","56","66","9441","9444","10.1039/d0cc04325g","","","0.71073","MoKα","","0.0226","0.0209","","","0.0482","0.0491","","","","","","1.039","","","","has coordinates,has disorder","255989","2020-10-21","18:00:00",""
"7126831","9.236","0.002","14.416","0.003","25.771","0.006","90","","95.167","0.007","90","","3417.4","1.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H41 N5 O3 -","- C37 H41 N5 O3 -","- C148 H164 N20 O12 -","4","1","","Behera, Kanhu Charan; Bag, Bamaprasad","Selective DCP detection with xanthene derivatives by carbonyl phosphorylation.","Chemical communications (Cambridge, England)","2020","56","65","9308","9311","10.1039/d0cc03985c","","","0.71073","MoKα","","0.0639","0.057","","","0.1529","0.1591","","","","","","1.1554","","","","has coordinates","256023","2020-10-21","18:00:00",""
"7126832","16.2392","0.0019","12.0245","0.0016","17.25","0.002","90","","110.696","0.003","90","","3151","0.7","102","2","102","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C35 H35 N3 O5 -","- C35 H35 N3 O5 -","- C140 H140 N12 O20 -","4","1","","Behera, Kanhu Charan; Bag, Bamaprasad","Selective DCP detection with xanthene derivatives by carbonyl phosphorylation.","Chemical communications (Cambridge, England)","2020","56","65","9308","9311","10.1039/d0cc03985c","","","0.71073","MoKα","","0.0297","0.0278","","","0.0639","0.0652","","","","","","1.076","","","","has coordinates","256023","2020-10-21","18:00:00",""
"7126833","9.309","0.002","14.055","0.003","25.6","0.006","90","","95.731","0.005","90","","3332.7","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H43 N5 O3 -","- C37 H42.5 N5 O3 -","- C148 H170 N20 O12 -","4","1","","Behera, Kanhu Charan; Bag, Bamaprasad","Selective DCP detection with xanthene derivatives by carbonyl phosphorylation.","Chemical communications (Cambridge, England)","2020","56","65","9308","9311","10.1039/d0cc03985c","","","0.71073","MoKα","","0.0758","0.0579","","","0.1623","0.1826","","","","","","1.027","","","","has coordinates","298703","2025-04-03","05:34:20",""
"7126834","12.2588","0.001","7.5269","0.0006","13.4609","0.0011","90","","93.275","0.002","90","","1240.02","0.17","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N S -","- C16 H15 N S -","- C64 H60 N4 S4 -","4","1","","Kirkeby, Emily K.; Roberts, Andrew G.","Design, synthesis and characterization of structurally dynamic cyclic N,S-acetals.","Chemical communications (Cambridge, England)","2020","56","64","9118","9121","10.1039/d0cc03503c","","","0.71073","MoKα","","0.0359","0.0299","","","0.0824","0.0863","","","","","","1.047","","","","has coordinates","255971","2020-10-21","18:00:00",""
"7126835","18.2786","0.0014","5.5078","0.0004","13.668","0.0011","90","","95.902","0.002","90","","1368.73","0.18","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O S -","- C17 H17 N O S -","- C68 H68 N4 O4 S4 -","4","1","","Kirkeby, Emily K.; Roberts, Andrew G.","Design, synthesis and characterization of structurally dynamic cyclic N,S-acetals.","Chemical communications (Cambridge, England)","2020","56","64","9118","9121","10.1039/d0cc03503c","","","0.71073","MoKα","","0.0706","0.0443","","","0.0985","0.1088","","","","","","1.026","","","","has coordinates","255971","2020-10-21","18:00:00",""
"7126836","7.2999","0.0003","8.7882","0.0003","12.8272","0.0005","70.781","0.001","74.659","0.001","80.397","0.001","746.48","0.05","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C34 H32 N4 O6 S2 -","2","1","","Kirkeby, Emily K.; Roberts, Andrew G.","Design, synthesis and characterization of structurally dynamic cyclic N,S-acetals.","Chemical communications (Cambridge, England)","2020","56","64","9118","9121","10.1039/d0cc03503c","","","0.71073","MoKα","","0.0514","0.0358","","","0.0924","0.1004","","","","","","1.069","","","","has coordinates","255971","2020-10-21","18:00:00",""
"7126837","7.7313","0.0004","8.231","0.0004","13.2902","0.0007","81.614","0.002","79.942","0.002","89.931","0.002","823.58","0.07","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C38 H38 N2 O8 -","2","1","","Tathe, Akash G.; Chintawar, Chetan C.; Bhoyare, Vivek W.; Patil, Nitin T.","Ligand-enabled gold-catalyzed 1,2-heteroarylation of alkenes.","Chemical communications (Cambridge, England)","2020","56","65","9304","9307","10.1039/d0cc03707a","","","0.71073","MoKα","","0.0743","0.0506","","","0.1202","0.1324","","","","","","1.036","","","","has coordinates","256021","2020-10-21","18:00:00",""
"7126838","15.4081","0.0006","18.0628","0.0008","8.5341","0.0004","90","","97.705","0.004","90","","2353.71","0.18","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14.36 H8.72 Cl0.73 N O2 -","- C14.364 H8 Cl0.728 N O2 -","- C114.912 H64 Cl5.824 N8 O16 -","8","1","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","x-ray","0.71073","MoKα","","0.0539","0.0479","","","0.1332","0.1376","","","","","","1.079","","","","has coordinates","256033","2020-10-21","18:00:00",""
"7126839","15.938","0.0008","15.938","0.0008","15.9529","0.0007","90","","90","","90","","4052.4","0.3","123","","150","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C28 H16 N2 O4 -","- C28 H16 N2 O4 -","- C224 H128 N16 O32 -","8","0.5","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","x-ray","0.71073","MoKα","","0.0429","0.0363","","","0.0941","0.0981","","","","","","1.065","","","","has coordinates","256033","2020-10-21","18:00:00",""
"7126840","15.512","0.003","17.987","0.004","8.5142","0.0017","90","","97.05","0.03","90","","2357.6","0.9","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15.25 H9.25 N O2 -","- C15.25 H8 N O2 -","- C122 H64 N8 O16 -","8","1","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","","0.7","synchrotron","","0.0749","0.0705","","","0.2061","0.2109","","","","","","1.12","","","","has coordinates","256033","2020-10-21","18:00:00",""
"7126841","15.9394","0.0007","15.9394","0.0007","15.9489","0.0007","90","","90","","90","","4052","0.3","150","2","150","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C28 H16 N2 O4 -","- C28 H16 N2 O4 -","- C224 H128 N16 O32 -","8","0.5","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","x-ray","0.71073","MoKα","","0.0439","0.0385","","","0.0972","0.101","","","","","","1.035","","","","has coordinates","256033","2020-10-21","18:00:00",""
"7126842","15.442","0.003","18.01","0.004","8.5151","0.0017","90","","97.36","0.03","90","","2348.6","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14.46 H8.9 Cl0.46 N O2 -","- C14.464 H8 Cl0.464 N O2 -","- C115.712 H64 Cl3.712 N8 O16 -","8","1","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","","0.7","synchrotron","","0.0664","0.0617","","","0.1915","0.1964","","","","","","1.092","","","","has coordinates","256033","2020-10-21","18:00:00",""
"7126843","15.564","0.003","18.062","0.004","8.5078","0.0017","90","","96.99","0.03","90","","2373.9","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14.93 H9.9 N O2 -","- C14.8 H8 N O2 -","- C118.4 H64 N8 O16 -","8","1","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","","0.7","synchrotron","","0.0769","0.0734","","","0.2079","0.212","","","","","","1.038","","","","has coordinates,has disorder","256033","2020-10-21","18:00:00",""
"7126844","15.4912","0.0005","18.1068","0.0005","8.5193","0.0003","90","","97.128","0.003","90","","2371.16","0.13","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16.25 H10.62 N O2 -","- C16.25 H8 N O2 -","- C130 H64 N8 O16 -","8","1","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","x-ray","0.71073","MoKα","","0.0481","0.0418","","","0.1124","0.1167","","","","","","1.069","","","","has coordinates","256033","2020-10-21","18:00:00",""
"7126845","11.0304","0.0007","11.821","0.0005","9.3939","0.0005","90","","115.468","0.002","90","","1105.85","0.1","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C14 H10 N O3 -","- C14 H10 N O3 -","- C56 H40 N4 O12 -","4","0.5","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","","0.71073","MoKα","","0.053","0.0401","","","0.1001","0.1144","","","","","","1.107","","","","has coordinates","256033","2020-10-21","18:00:00",""
"7126846","15.926","0.002","15.926","0.002","15.916","0.003","90","","90","","90","","4036.9","1","100","","100","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C28 H16 N2 O4 -","- C28 H16 N2 O4 -","- C224 H128 N16 O32 -","8","0.5","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","","0.43158","synchrotron","","0.0386","0.0378","","","0.0983","0.0991","","","","","","1.081","","","","has coordinates","256033","2020-10-21","18:00:00",""
"7126847","15.45","0.003","17.951","0.004","8.5315","0.0017","90","","97.51","0.03","90","","2345.9","0.9","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15.75 H12.1 N O2 -","- C15.7499 H8 N O2 -","- C125.999 H64 N8 O16 -","8","1","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","","0.43158","synchrotron","","0.0883","0.0779","","","0.2447","0.256","","","","","","1.117","","","","has coordinates,has disorder","256033","2020-10-21","18:00:00",""
"7126848","15.487","0.003","17.983","0.004","8.5171","0.0017","90","","97.19","0.03","90","","2353.4","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H11 N O2 -","- C15.25 H8 N O2 -","- C122 H64 N8 O16 -","8","1","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","","0.7","synchrotron","","0.0554","0.0521","","","0.1576","0.1602","","","","","","1.073","","","","has coordinates","256033","2020-10-21","18:00:00",""
"7126849","15.5901","0.0003","18.1053","0.0004","8.5158","0.0002","90","","97.025","0.002","90","","2385.65","0.09","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14.86 H8 N O2.21 -","- C14.8603 H8 N O2.211 -","- C118.882 H64 N8 O17.688 -","8","1","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","x-ray","0.71073","MoKα","","0.0595","0.0551","","","0.1661","0.1702","","","","","","1.122","","","","has coordinates","256033","2020-10-21","18:00:00",""
"7126850","15.496","0.0003","17.8919","0.0003","8.5454","0.0002","90","","97.664","0.002","90","","2348.07","0.08","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H11.3 N O2 -","- C15.5 H8 N O2 -","- C124 H64 N8 O16 -","8","1","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","x-ray","0.71073","MoKα","","0.0458","0.0426","","","0.118","0.12","","","","","","1.076","","","","has coordinates","256033","2020-10-21","18:00:00",""
"7126851","15.926","0.002","15.926","0.002","15.926","0.003","90","","90","","90","","4039.4","1","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C28 H16 N2 O4 -","- C28 H16 N2 O4 -","- C224 H128 N16 O32 -","8","0.5","","Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro","Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.","Chemical communications (Cambridge, England)","2020","56","67","9687","9690","10.1039/d0cc03408h","","","0.7","synchrotron","","0.0475","0.0452","","","0.1234","0.1255","","","","","","1.088","","","","has coordinates","256033","2020-10-21","18:00:00",""
"7126852","12.4892","0.0011","7.3635","0.0006","18.9497","0.0017","90","","90","","90","","1742.7","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C84 H76 N12 O8 -","4","1","","Wen, Chunxia; Zhong, Ronglin; Qin, Zengxin; Zhao, Mengfei; Li, Jizhen","Regioselective remote C5 cyanoalkoxylation and cyanoalkylation of 8-aminoquinolines with azobisisobutyronitrile.","Chemical communications (Cambridge, England)","2020","56","66","9529","9532","10.1039/d0cc00014k","","","0.71073","MoKα","","0.0526","0.0403","","","0.0896","0.0957","","","","","","1.049","","","","has coordinates","255988","2020-10-21","18:00:00",""
"7126853","7.1213","0.0002","9.6599","0.0003","24.5371","0.0008","90","","90","","90","","1687.93","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 F6 N2 O S -","- C17 H12 F6 N2 O S -","- C68 H48 F24 N8 O4 S4 -","4","1","","Kosobokov, Mikhail D.; Zubkov, Mikhail O.; Levin, Vitalij V.; Kokorekin, Vladimir A.; Dilman, Alexander D.","Fluoroalkyl sulfides as photoredox-active coupling reagents for alkene difunctionalization.","Chemical communications (Cambridge, England)","2020","56","66","9453","9456","10.1039/d0cc04617e","","","0.71073","MoKα","","0.0433","0.0338","","","0.0733","0.0784","","","","","","1.059","","","","has coordinates","255996","2020-10-21","18:00:00",""
"7126854","8.2319","0.0004","10.9599","0.0005","14.1131","0.0008","101.732","0.002","100.174","0.002","97.026","0.002","1210.44","0.11","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H52 Cl2 O4 Pd Se2 -","- C56 H52 Cl2 O4 Pd Se2 -","- C56 H52 Cl2 O4 Pd Se2 -","1","0.5","","Meena, Neha; Sharma, Shobha; Bhatt, Ramprasad; Shinde, Vikki N.; Sunda, Anurag Prakash; Bhuvanesh, Nattamai; Kumar, Anil; Joshi, Hemant","A selenium-coordinated palladium(ii) trans-dichloride molecular rotor as a catalyst for site-selective annulation of 2-arylimidazo[1,2-a]pyridines.","Chemical communications (Cambridge, England)","2020","56","70","10223","10226","10.1039/d0cc03599h","","","0.71073","MoKα","","0.0352","0.0253","","","0.0491","0.0547","","","","","","1.06","","","","has coordinates","255947","2020-10-21","18:00:00",""
"7126855","11.805","0.0006","7.031","0.0003","24.4855","0.0011","90","","103.258","0.002","90","","1978.15","0.16","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 F N2 -","- C28 H19 F N2 -","- C112 H76 F4 N8 -","4","1","","Meena, Neha; Sharma, Shobha; Bhatt, Ramprasad; Shinde, Vikki N.; Sunda, Anurag Prakash; Bhuvanesh, Nattamai; Kumar, Anil; Joshi, Hemant","A selenium-coordinated palladium(ii) trans-dichloride molecular rotor as a catalyst for site-selective annulation of 2-arylimidazo[1,2-a]pyridines.","Chemical communications (Cambridge, England)","2020","56","70","10223","10226","10.1039/d0cc03599h","","","0.71073","MoKα","","0.0799","0.0451","","","0.093","0.1128","","","","","","1.053","","","","has coordinates","255947","2020-10-21","18:00:00",""
"7126856","46.8847","0.0019","4.9361","0.0002","11.2909","0.0005","90","","99.121","0.007","90","","2579.99","0.19","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C92 H80 N8 O4 S32 -","- C92 H80 N8 O4 S32 -","- C92 H80 N8 O4 S32 -","1","0.25","","Short, Jonathan I.; Blundell, Toby J.; Krivickas, Sara J.; Yang, Songjie; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Martin, Lee","Chiral molecular conductor with an insulator-metal transition close to room temperature.","Chemical communications (Cambridge, England)","2020","56","66","9497","9500","10.1039/d0cc04094k","","","0.71075","MoKα","","0.0515","0.0442","","","0.1289","0.1323","","","","","","1.143","","","","has coordinates,has disorder","255993","2020-10-21","18:00:00",""
"7126857","23.723","0.002","4.857","0.0005","11.6968","0.001","89.841","0.006","81.637","0.006","87.168","0.006","1331.8","0.2","300","","300","","","","","","","","","5","P 1","P 1","1","","","","- C46 H40 N4 O2 S16 -","- C46 H40 N4 O2 S16 -","- C46 H40 N4 O2 S16 -","1","1","","Short, Jonathan I.; Blundell, Toby J.; Krivickas, Sara J.; Yang, Songjie; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Martin, Lee","Chiral molecular conductor with an insulator-metal transition close to room temperature.","Chemical communications (Cambridge, England)","2020","56","66","9497","9500","10.1039/d0cc04094k","","","0.71075","MoKα","","0.1474","0.0997","","","0.2713","0.3145","","","","","","1.038","","","","has coordinates,has disorder","255993","2020-10-21","18:00:00",""
"7126858","8.056","0.003","10.787","0.003","6.0093","0.0018","90","","90","","90","","522.2","0.3","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C5 H2 Cu N3 O -","- C5 H2 Cu N3 O -","- C20 H8 Cu4 N12 O4 -","4","0.5","","García-Valdivia, Antonio A; Romero, Francisco J.; Cepeda, Javier; Morales, Diego P.; Casati, Nicola; Mota, Antonio J.; Zotti, Linda A.; Palacios, Juan J.; Choquesillo-Lazarte, Duane; F Salmerón, José; Rivadeneyra, Almudena; Rodríguez-Diéguez, Antonio","Rational design of an unusual 2D-MOF based on Cu(i) and 4-hydroxypyrimidine-5-carbonitrile as linker with conductive capabilities: a theoretical approach based on high-pressure XRD.","Chemical communications (Cambridge, England)","2020","56","66","9473","9476","10.1039/d0cc03564e","","","0.71073","MoKα","","0.0467","0.0303","","","0.0618","0.0658","","","","","","1.129","","","","has coordinates","255986","2020-10-21","18:00:00",""
"7126859","8.0286","0.0008","10.776","0.01","5.88","0.0005","90","","90","","90","","508.7","0.5","293","2","293","2","","","900000","","","","","5","P b c m","-P 2c 2b","57","","","","- C5 H2 Cu N3 O -","- C5 H2 Cu N3 O -","- C20 H8 Cu4 N12 O4 -","4","0.5","","García-Valdivia, Antonio A; Romero, Francisco J.; Cepeda, Javier; Morales, Diego P.; Casati, Nicola; Mota, Antonio J.; Zotti, Linda A.; Palacios, Juan J.; Choquesillo-Lazarte, Duane; F Salmerón, José; Rivadeneyra, Almudena; Rodríguez-Diéguez, Antonio","Rational design of an unusual 2D-MOF based on Cu(i) and 4-hydroxypyrimidine-5-carbonitrile as linker with conductive capabilities: a theoretical approach based on high-pressure XRD.","Chemical communications (Cambridge, England)","2020","56","66","9473","9476","10.1039/d0cc03564e","","","0.49276","synchrotron","","0.0715","0.0645","","","","0.2066","","","","","","1.107","","","","has coordinates","255986","2020-10-21","18:00:00",""
"7126860","7.9702","0.0008","10.714","0.009","5.6247","0.0004","90","","90","","90","","480.3","0.4","293","2","293","2","","","2750000","","","","","5","P b c m","-P 2c 2b","57","","","","- C5 H2 Cu N3 O -","- C5 H2 Cu N3 O -","- C20 H8 Cu4 N12 O4 -","4","0.5","","García-Valdivia, Antonio A; Romero, Francisco J.; Cepeda, Javier; Morales, Diego P.; Casati, Nicola; Mota, Antonio J.; Zotti, Linda A.; Palacios, Juan J.; Choquesillo-Lazarte, Duane; F Salmerón, José; Rivadeneyra, Almudena; Rodríguez-Diéguez, Antonio","Rational design of an unusual 2D-MOF based on Cu(i) and 4-hydroxypyrimidine-5-carbonitrile as linker with conductive capabilities: a theoretical approach based on high-pressure XRD.","Chemical communications (Cambridge, England)","2020","56","66","9473","9476","10.1039/d0cc03564e","","","0.49276","synchrotron","","0.0719","0.0672","","","","0.2069","","","","","","1.167","","","","has coordinates","255986","2020-10-21","18:00:00",""
"7126861","7.9478","0.0016","10.61","0.02","5.5058","0.0012","90","","90","","90","","464.3","0.9","293","2","293","2","","","4200000","","","","","5","P b c m","-P 2c 2b","57","","","","- C5 H2 Cu N3 O -","- C5 H2 Cu N3 O -","- C20 H8 Cu4 N12 O4 -","4","0.5","","García-Valdivia, Antonio A; Romero, Francisco J.; Cepeda, Javier; Morales, Diego P.; Casati, Nicola; Mota, Antonio J.; Zotti, Linda A.; Palacios, Juan J.; Choquesillo-Lazarte, Duane; F Salmerón, José; Rivadeneyra, Almudena; Rodríguez-Diéguez, Antonio","Rational design of an unusual 2D-MOF based on Cu(i) and 4-hydroxypyrimidine-5-carbonitrile as linker with conductive capabilities: a theoretical approach based on high-pressure XRD.","Chemical communications (Cambridge, England)","2020","56","66","9473","9476","10.1039/d0cc03564e","","","0.49276","synchrotron","","0.058","0.0443","","","","0.1222","","","","","","1.103","","","","has coordinates","255986","2020-10-21","18:00:00",""
"7126862","11.309","0.0004","11.309","0.0004","11.3065","0.0004","90","","90","","120","","1252.3","0.08","100","2","100.01","","","","","","","","","5","P 32","P 32","145","","","","- C16 H20 Cl N2 O5 -","- C16 H21 Cl N2 O5 -","- C48 H63 Cl3 N6 O15 -","3","1","","Zhang, Shilong; Liu, Yungen; Xing, Fangrong; Che, Chi-Ming","Direct preparation of unprotected aminimides (R<sub>3</sub>N<sup>+</sup>-NH<sup>-</sup>) from natural aliphatic tertiary alkaloids (R<sub>3</sub>N) by [Mn(TDCPP)Cl]-catalysed N-amination reaction.","Chemical communications (Cambridge, England)","2020","56","64","9102","9105","10.1039/d0cc02934c","","","1.54178","CuKα","","0.035","0.0347","","","0.0894","0.0898","","","","","","1.064","","","","has coordinates,has disorder","255973","2020-10-21","18:00:00",""
"7126863","7.2666","0.0005","14.444","0.0009","19.5127","0.0013","90","","90","","90","","2048","0.2","100","","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 Cl N2 O6 -","- C19 H29 Cl N2 O6 -","- C76 H116 Cl4 N8 O24 -","4","1","","Zhang, Shilong; Liu, Yungen; Xing, Fangrong; Che, Chi-Ming","Direct preparation of unprotected aminimides (R<sub>3</sub>N<sup>+</sup>-NH<sup>-</sup>) from natural aliphatic tertiary alkaloids (R<sub>3</sub>N) by [Mn(TDCPP)Cl]-catalysed N-amination reaction.","Chemical communications (Cambridge, England)","2020","56","64","9102","9105","10.1039/d0cc02934c","","x-ray","1.54178","CuKα","","0.0215","0.0214","","","0.0566","0.0567","","","","","","1.046","","","","has coordinates","255973","2020-10-21","18:00:00",""
"7126864","12.6724","0.0019","19.811","0.003","20.784","0.003","90","","90","","90","","5217.9","1.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C58 H36 Cl8 Mn N5 -","- C58 H36 Cl8 Mn N5 -","- C232 H144 Cl32 Mn4 N20 -","4","0.5","","Zhang, Shilong; Liu, Yungen; Xing, Fangrong; Che, Chi-Ming","Direct preparation of unprotected aminimides (R<sub>3</sub>N<sup>+</sup>-NH<sup>-</sup>) from natural aliphatic tertiary alkaloids (R<sub>3</sub>N) by [Mn(TDCPP)Cl]-catalysed N-amination reaction.","Chemical communications (Cambridge, England)","2020","56","64","9102","9105","10.1039/d0cc02934c","","x-ray","0.71073","MoKα","","0.1039","0.1003","","","0.2313","0.2327","","","","","","1.362","","","","has coordinates,has disorder","255973","2020-10-21","18:00:00",""
"7126865","13.7045","0.0003","4.1406","0.0001","20.539","0.0004","90","","95.208","0.002","90","","1160.67","0.04","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Br N3 -","- C13 H10 Br N3 -","- C52 H40 Br4 N12 -","4","1","","Zhang, Chunyan; Zhao, Haowen; Li, Zehua; Liang, Zuyu; Qi, Shuo; Cai, Mingyu; Zhang, Sheng; Jia, Xiaofei; Zhang, Guoying; Hu, Mao-Lin","Rapid access to 3-aminoindazoles from nitriles with hydrazines: a strategy to overcome the basicity barrier imparted by hydrazines.","Chemical communications (Cambridge, England)","2020","56","66","9521","9524","10.1039/d0cc03789c","","x-ray","1.54184","CuKα","","0.0415","0.04","","","0.1084","0.1103","","","","","","1.05","","","","has coordinates","255994","2020-10-21","18:00:00",""
"7126866","14.261","0.0002","5.3923","0.0001","16.6024","0.0003","90","","112.37","0.002","90","","1180.64","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","","Ma, Ben; Tang, Zhiqiong; Zhang, Junliang; Liu, Lu","Copper-catalysed ortho-selective C-H bond functionalization of phenols and naphthols with α-aryl-α-diazoesters.","Chemical communications (Cambridge, England)","2020","56","66","9485","9488","10.1039/d0cc04495d","","x-ray","1.54184","CuKα","","0.0363","0.0341","","","0.0895","0.0914","","","","","","1.02","","","","has coordinates","255982","2020-10-21","18:00:00",""
"7126867","36.191","0.009","23.761","0.006","15.011","0.004","90","","90","","90","","12908","6","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C73 H133 F8 N O29 Tb6 -","- C73 H133 F8 N O29 Tb6 -","- C292 H532 F32 N4 O116 Tb24 -","4","0.5","","Ling, Bo-Kai; Li, Junhao; Zhai, Yuan-Qi; Hsu, Hung-Kai; Chan, Yi-Tsu; Chen, Wei-Peng; Han, Tian; Zheng, Yan-Zhen","Terbium-fluorido cluster: an energy cage for photoluminescence.","Chemical communications (Cambridge, England)","2020","56","64","9130","9133","10.1039/d0cc02898c","","x-ray","0.71073","MoKα","","0.1386","0.098","","","0.2307","0.2646","","","","","","1.092","","","","has coordinates,has disorder","255966","2020-10-21","18:00:00",""
"7126868","13.0789","0.0003","23.272","0.0006","22.9115","0.0006","90","","98.181","0.0005","90","","6902.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H170 Ag7 Cu7 O24 P12 S24 -","- C72 H170 Ag7 Cu7 O24 P12 S24 -","- C144 H340 Ag14 Cu14 O48 P24 S48 -","2","0.5","","Zhong, Yu-Jie; Liao, Jian-Hong; Chiu, Tzu-Hao; Wu, Ying-Yann; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Hydride-encapsulated bimetallic clusters supported by 1,1-dithiolates.","Chemical communications (Cambridge, England)","2020","56","65","9300","9303","10.1039/d0cc03848b","","","0.71073","MoKα","","0.0325","0.0255","","","0.064","0.0679","","","","","","1.019","","","","has coordinates,has disorder","256026","2020-10-21","18:00:00",""
"7126869","13.1365","0.0003","23.3343","0.0005","22.8775","0.0005","90","","98.1499","0.0005","90","","6941.8","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H85 Ag3 Cu4 O12 P6 S12 -","- C36 H85 Ag3 Cu4 O12 P6 S12 -","- C144 H340 Ag12 Cu16 O48 P24 S48 -","4","1","","Zhong, Yu-Jie; Liao, Jian-Hong; Chiu, Tzu-Hao; Wu, Ying-Yann; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Hydride-encapsulated bimetallic clusters supported by 1,1-dithiolates.","Chemical communications (Cambridge, England)","2020","56","65","9300","9303","10.1039/d0cc03848b","","","0.71073","MoKα","","0.0404","0.0342","","","0.0931","0.0974","","","","","","1.024","","","","has coordinates","256026","2020-10-21","18:00:00",""
"7126870","17.659","0.011","11.39","0.008","12.836","0.008","90","","115.338","0.016","90","","2333","3","153","2","153","2","","","","","","","","6","C 1 c 1","C -2yc","9","[Co(Me3-TPADP)(N3)(OOC(CH3)3)](ClO4)","","","- C18 H33 Cl Co N7 O6 -","- C18 H33 Cl Co N7 O6 -","- C72 H132 Cl4 Co4 N28 O24 -","4","1","","Shin, Bongki; Park, Younwoo; Jeong, Donghyun; Cho, Jaeheung","Nucleophilic reactivity of a mononuclear cobalt(iii)-bis(tert-butylperoxo) complex.","Chemical communications (Cambridge, England)","2020","56","66","9449","9452","10.1039/d0cc03385e","","","0.71073","MoKa","","0.0449","0.0353","","","0.0993","0.109","","","","","","0.844","","","","has coordinates","255995","2020-10-21","18:00:00",""
"7126871","9.177","0.007","17.401","0.012","33.72","0.03","90","","90","","90","","5385","7","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Co(Me3-TPDAP)(SCN)(OOtBu)](ClO4)","","","- C21 H36 Cl Co N6 O6 S -","- C21 H36 Cl Co N6 O6 S -","- C168 H288 Cl8 Co8 N48 O48 S8 -","8","1","","Shin, Bongki; Park, Younwoo; Jeong, Donghyun; Cho, Jaeheung","Nucleophilic reactivity of a mononuclear cobalt(iii)-bis(tert-butylperoxo) complex.","Chemical communications (Cambridge, England)","2020","56","66","9449","9452","10.1039/d0cc03385e","","","0.71073","MoKa","","0.1337","0.0771","","","0.1278","0.146","","","","","","1.133","","","","has coordinates","255995","2020-10-21","18:00:00",""
"7126872","12.353","0.004","23.359","0.005","16.581","0.005","90","","92.432","0.014","90","","4780","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Co(Me3-TPADP)(OOtBu)2](ClO4)2","","","- C50 H72 B Co N4 O5 -","- C50 H72 B Co N4 O5 -","- C200 H288 B4 Co4 N16 O20 -","4","1","","Shin, Bongki; Park, Younwoo; Jeong, Donghyun; Cho, Jaeheung","Nucleophilic reactivity of a mononuclear cobalt(iii)-bis(tert-butylperoxo) complex.","Chemical communications (Cambridge, England)","2020","56","66","9449","9452","10.1039/d0cc03385e","","","0.71073","MoKa","","0.0673","0.0432","","","0.1225","0.1387","","","","","","0.99","","","","has coordinates","255995","2020-10-21","18:00:00",""
"7126873","7.3092","0.0002","18.6978","0.0006","20.9767","0.0005","114.686","0.003","94.742","0.002","99.943","0.003","2527.02","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","bridged-tetra-aryl-p-quinodimethane (BTAQ) radical cation","1?+?DDQ?‒","","- C59 H54 Cl4 N4 O7 -","- C59 H54 Cl4 N4 O7 -","- C118 H108 Cl8 N8 O14 -","2","1","","Harada, Mei; Tanioka, Masaru; Muranaka, Atsuya; Aoyama, Tetsuya; Kamino, Shinichiro; Uchiyama, Masanobu","A remarkably air-stable quinodimethane radical cation.","Chemical communications (Cambridge, England)","2020","56","66","9565","9568","10.1039/d0cc04025h","","x-ray","1.54184","CuKα","","0.104","0.0758","","","0.1832","0.1997","","","","","","1.097","","","","has coordinates,has disorder","255985","2020-10-21","18:00:00",""
"7126875","7.3935","0.0006","25.0493","0.0016","8.8978","0.0006","90","","111.188","0.008","90","","1536.5","0.2","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","","Zhang, Ling; Shi, Qiu; Cao, Tongxiang; Zhu, Shifa","Catalytic regio- and stereoselective intermolecular [5+2] cycloaddition via conjugative activation of oxidopyrylium.","Chemical communications (Cambridge, England)","2020","56","66","9533","9536","10.1039/d0cc04309e","","x-ray","1.54184","CuKα","","0.0617","0.0492","","","0.122","0.1307","","","","","","1.09","","","","has coordinates","255992","2020-10-21","18:00:00",""
"7126876","4.9097","0.0006","20.9012","0.0019","16.8201","0.0014","90","","96.123","0.009","90","","1716.2","0.3","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","2","","Zhang, Ling; Shi, Qiu; Cao, Tongxiang; Zhu, Shifa","Catalytic regio- and stereoselective intermolecular [5+2] cycloaddition via conjugative activation of oxidopyrylium.","Chemical communications (Cambridge, England)","2020","56","66","9533","9536","10.1039/d0cc04309e","","x-ray","1.54184","CuKα","","0.0641","0.0576","","","0.1515","0.1584","","","","","","1.076","","","","has coordinates","255992","2020-10-21","18:00:00",""
"7126877","6.8575","0.0003","17.6675","0.0007","29.0079","0.0011","90","","90","","90","","3514.4","0.2","100.01","0.1","100.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H20 O3 -","- C23 H20 O3 -","- C184 H160 O24 -","8","1","","Zhang, Ling; Shi, Qiu; Cao, Tongxiang; Zhu, Shifa","Catalytic regio- and stereoselective intermolecular [5+2] cycloaddition via conjugative activation of oxidopyrylium.","Chemical communications (Cambridge, England)","2020","56","66","9533","9536","10.1039/d0cc04309e","","x-ray","1.54184","CuKα","","0.054","0.0456","","","0.111","0.1178","","","","","","1.084","","","","has coordinates","255992","2020-10-21","18:00:00",""
"7126878","7.7307","0.0003","5.8517","0.0002","20.5811","0.0014","90","","92.53","0.007","90","","930.13","0.08","233","2","233","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-1-methoxy-4-(5-(2-(4-methoxyphenoxy)propan-2-yl)cyclopent-1-en-1-yl)benzene","","- C22 H26 O3 -","- C22 H26 O3 -","- C44 H52 O6 -","2","1","","Han, Xu; Retailleau, Pascal; Gandon, Vincent; Voituriez, Arnaud","Enantioselective gold(i)-catalyzed cyclization/intermolecular nucleophilic additions of 1,5-enyne derivatives.","Chemical communications (Cambridge, England)","2020","56","66","9457","9460","10.1039/d0cc00914h","","","1.54187","CuKα","","0.0382","0.0329","","","0.083","0.0912","","","","","","1.127","","","","has coordinates","255981","2020-10-21","18:00:00",""
"7126879","11.6796","0.0002","19.9722","0.0003","13.188","0.0002","90","","104.793","0.001","90","","2974.36","0.08","223.4","0.8","223.4","0.8","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H56 Cl3 N O4 P4 Ru -","- C66 H56 Cl3 N O4 P4 Ru -","- C132 H112 Cl6 N2 O8 P8 Ru2 -","2","1","","Yeung, Chi-Fung; Chung, Lai-Hon; Tse, Sheung-Ying; Shek, Hau-Lam; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Conventional and unconventional alkyne activations by Ru and Os for unprecedented dimetalated quinolizinium complexes.","Chemical communications (Cambridge, England)","2020","56","63","8908","8911","10.1039/d0cc03480k","","","1.54184","CuKα","","0.0316","0.0305","","","0.0779","0.0788","","","","","","1.049","","","","has coordinates","255956","2020-10-21","18:00:00",""
"7126880","11.624","0.0002","19.9252","0.0002","13.1753","0.0002","90","","104.818","0.001","90","","2950.05","0.08","173","0.14","173","0.14","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H56 Cl3 N O4 Os P4 -","- C66 H56 Cl3 N O4 Os P4 -","- C132 H112 Cl6 N2 O8 Os2 P8 -","2","1","","Yeung, Chi-Fung; Chung, Lai-Hon; Tse, Sheung-Ying; Shek, Hau-Lam; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Conventional and unconventional alkyne activations by Ru and Os for unprecedented dimetalated quinolizinium complexes.","Chemical communications (Cambridge, England)","2020","56","63","8908","8911","10.1039/d0cc03480k","","","1.54184","CuKα","","0.0257","0.0255","","","0.0661","0.0663","","","","","","1.044","","","","has coordinates","255956","2020-10-21","18:00:00",""
"7126881","13.891","0.0004","16.245","0.0004","6.9806","0.0002","90","","90","","90","","1575.24","0.07","173","2","173.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H12 F3 N O3 S -","- C16 H12 F3 N O3 S -","- C64 H48 F12 N4 O12 S4 -","4","1","","Yeung, Chi-Fung; Chung, Lai-Hon; Tse, Sheung-Ying; Shek, Hau-Lam; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Conventional and unconventional alkyne activations by Ru and Os for unprecedented dimetalated quinolizinium complexes.","Chemical communications (Cambridge, England)","2020","56","63","8908","8911","10.1039/d0cc03480k","","","1.54184","CuKα","","0.0371","0.0362","","","0.0943","0.0955","","","","","","1.041","","","","has coordinates","255956","2020-10-21","18:00:00",""
"7126882","13.0222","0.0004","14.4045","0.0005","19.6691","0.0006","79.101","0.001","71.46","0.001","85.621","0.001","3434.4","0.19","173","2","173","2","","","","","","","","10","P -1","-P 1","2","","","","- C67 H56 Br Cl3 F3 N O3 Os P4 S -","- C67 H56 Br Cl3 F3 N O3 Os P4 S -","- C134 H112 Br2 Cl6 F6 N2 O6 Os2 P8 S2 -","2","1","","Yeung, Chi-Fung; Chung, Lai-Hon; Tse, Sheung-Ying; Shek, Hau-Lam; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Conventional and unconventional alkyne activations by Ru and Os for unprecedented dimetalated quinolizinium complexes.","Chemical communications (Cambridge, England)","2020","56","63","8908","8911","10.1039/d0cc03480k","","","0.71073","MoKα","","0.0485","0.0399","","","0.0982","0.1036","","","","","","1.03","","","","has coordinates,has disorder","255956","2020-10-21","18:00:00",""
"7126883","22.978","0.0008","16.4419","0.0006","36.9317","0.0013","90","","104","0.001","90","","13538.4","0.8","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C70 H66 F6 N O8.5 P4 Ru S2 -","- C70 H66 F6 N O8.5 P4 Ru S2 -","- C560 H528 F48 N8 O68 P32 Ru8 S16 -","8","2","","Yeung, Chi-Fung; Chung, Lai-Hon; Tse, Sheung-Ying; Shek, Hau-Lam; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Conventional and unconventional alkyne activations by Ru and Os for unprecedented dimetalated quinolizinium complexes.","Chemical communications (Cambridge, England)","2020","56","63","8908","8911","10.1039/d0cc03480k","","","1.54178","CuKα","","0.0976","0.0939","","","0.2618","0.2635","","","","","","1.089","","","","has coordinates","255956","2020-10-21","18:00:00",""
"7126884","23.062","0.0005","16.4101","0.0004","36.9903","0.0009","90","","104.016","0.001","90","","13582.2","0.6","213","2","213","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H62 F6 N O7.5 Os P4 S2 -","- C69 H62 F6 N O7.5 Os P4 S2 -","- C552 H496 F48 N8 O60 Os8 P32 S16 -","8","2","","Yeung, Chi-Fung; Chung, Lai-Hon; Tse, Sheung-Ying; Shek, Hau-Lam; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Conventional and unconventional alkyne activations by Ru and Os for unprecedented dimetalated quinolizinium complexes.","Chemical communications (Cambridge, England)","2020","56","63","8908","8911","10.1039/d0cc03480k","","","1.54178","CuKα","","0.0924","0.0801","","","0.2347","0.2526","","","","","","1.156","","","","has coordinates","255956","2020-10-21","18:00:00",""
"7126885","9.9119","0.0001","14.4815","0.0002","21.9881","0.0003","90","","97.114","0.001","90","","3131.86","0.07","173","0.14","173","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 Cl N5 O5 Ru -","- C35 H28 Cl N5 O5 Ru -","- C140 H112 Cl4 N20 O20 Ru4 -","4","1","","Yeung, Chi-Fung; Chung, Lai-Hon; Tse, Sheung-Ying; Shek, Hau-Lam; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Conventional and unconventional alkyne activations by Ru and Os for unprecedented dimetalated quinolizinium complexes.","Chemical communications (Cambridge, England)","2020","56","63","8908","8911","10.1039/d0cc03480k","","","1.54184","CuKα","","0.0395","0.0378","","","0.0983","0.0999","","","","","","1.0532","","","","has coordinates","255956","2020-10-21","18:00:00",""
"7126886","16.093","0.004","20.363","0.005","23.088","0.006","90","","90","","90","","7566","3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(tBu2NNN)RuCl2(PPh3)","(tBu2NNN)RuCl2(PPh3)","","- C35 H42 Cl6 N3 P Ru -","- C35 H42 Cl6 N3 P Ru -","- C280 H336 Cl48 N24 P8 Ru8 -","8","1","","Dutta, Moumita; Das, Kanu; Prathapa, Siriyara Jagannatha; Srivastava, Hemant Kumar; Kumar, Akshai","Selective and high yield transformation of glycerol to lactic acid using NNN pincer ruthenium catalysts.","Chemical communications (Cambridge, England)","2020","56","68","9886","9889","10.1039/d0cc02884c","","","0.71073","MoKα","","0.2603","0.1091","","","0.2416","0.3385","","","","","","1.013","","","","has coordinates,has disorder","256018","2020-10-21","18:00:00",""
"7126887","9.9974","0.0005","38.806","0.004","13.9459","0.0007","90","","92.722","0.005","90","","5404.3","0.7","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[(Bim2NNN)RuCl(PPh3)2]PF6","[(Bim2NNN)RuCl(PPh3)2]PF6","","- C55 H43 Cl F6 N5 P3 Ru -","- C55 H43 Cl F6 N5 P3 Ru -","- C220 H172 Cl4 F24 N20 P12 Ru4 -","4","1","","Dutta, Moumita; Das, Kanu; Prathapa, Siriyara Jagannatha; Srivastava, Hemant Kumar; Kumar, Akshai","Selective and high yield transformation of glycerol to lactic acid using NNN pincer ruthenium catalysts.","Chemical communications (Cambridge, England)","2020","56","68","9886","9889","10.1039/d0cc02884c","","","0.71073","MoKα","","0.1516","0.1203","","","0.2244","0.2418","","","","","","1.148","","","","has coordinates,has disorder","256018","2020-10-21","18:00:00",""
"7126888","7.4286","0.0004","7.2641","0.0003","17.1612","0.0008","90","","96.473","0.002","90","","920.15","0.08","250","2","250","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H16 Br N O2 S -","- C20 H16 Br N O2 S -","- C40 H32 Br2 N2 O4 S2 -","2","1","","Blay, Gonzalo; Castilla, Alvaro; Sanz, David; Sanz-Marco, Amparo; Vila, Carlos; Muñoz, M Carmen; Pedro, José R","Enantioselective zinc-mediated conjugate alkynylation of saccharin-derived 1-aza-butadienes.","Chemical communications (Cambridge, England)","2020","56","66","9461","9464","10.1039/d0cc04221h","","","0.71073","MoKα","","0.0791","0.0451","","","0.1152","0.1343","","","","","","0.989","","","","has coordinates","255984","2020-10-21","18:00:00",""
"7126889","13.442","0.0011","9.42","0.0007","13.5862","0.0009","90","","108.526","0.008","90","","1631.2","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 F2 N2 O2 Sn -","- C18 H12 F2 N2 O2 Sn -","- C72 H48 F8 N8 O8 Sn4 -","4","0.5","","Ki, Wooseok; Ngo, Kathleen; Ghosh, Phalguni; Averkiev, Boris; Reeves, Gordan T.; Ailes, Isaiah; Pemberton, Barry C.; Zhu, Kun; Li, Jing","Blue-shifted aggregation-induced enhancement of a Sn(iv) fluoride complex: the role of fluorine in luminescence enhancement.","Chemical communications (Cambridge, England)","2020","56","67","9648","9650","10.1039/d0cc03635h","","","0.71073","MoKα","","0.0384","0.0295","","","0.0667","0.0708","","","","","","1.001","","","","has coordinates","256030","2020-10-21","18:00:00",""
"7126890","20.5654","0.0006","12.3627","0.0003","20.3762","0.0006","90","","108.773","0.003","90","","4904.9","0.3","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C41 H64 Co2 F6 N7 O6 P2 S2 -","- C41 H64 Co2 F6 N7 O6 P2 S2 -","- C164 H256 Co8 F24 N28 O24 P8 S8 -","4","0.5","","Spentzos, Ariana Z.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Unusual cyanide and methyl binding modes at a dicobalt macrocycle following acetonitrile C-C bond activation.","Chemical communications (Cambridge, England)","2020","56","67","9675","9678","10.1039/d0cc03521a","","x-ray","0.71073","MoKα","","0.0418","0.0378","","","0.1004","0.1024","","","","","","1.056","","","","has coordinates","256028","2020-10-21","18:00:00",""
"7126891","22.62","0.004","21.11","0.004","12.65","0.002","90","","115.833","0.005","90","","5436.8","1.7","100","","100","","","","","","","","","8","C 1 m 1","C -2y","8","","","","- C97 H150 Co4 F8 N14 O6 P4 S2 -","- C97 H153 Co4 F8 N14 O6 P4 S2 -","- C194 H306 Co8 F16 N28 O12 P8 S4 -","2","0.5","","Spentzos, Ariana Z.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Unusual cyanide and methyl binding modes at a dicobalt macrocycle following acetonitrile C-C bond activation.","Chemical communications (Cambridge, England)","2020","56","67","9675","9678","10.1039/d0cc03521a","","","0.71073","MoKα","","0.0387","0.0354","","","0.0892","0.0912","","","","","","1.023","","","","has coordinates,has disorder","256028","2020-10-21","18:00:00",""
"7126892","11.1401","0.0012","18.761","0.002","26.561","0.003","90","","90.032","0.006","90","","5551.2","1","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H75 Co2 F4 N6 O3 P S -","- C48 H75 Co2 F4 N6 O3 P S -","- C192 H300 Co8 F16 N24 O12 P4 S4 -","4","1","","Spentzos, Ariana Z.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Unusual cyanide and methyl binding modes at a dicobalt macrocycle following acetonitrile C-C bond activation.","Chemical communications (Cambridge, England)","2020","56","67","9675","9678","10.1039/d0cc03521a","","","0.71073","MoKα","","0.0578","0.0496","","","0.1284","0.1335","","","","","","1.029","","","","has coordinates","256028","2020-10-21","18:00:00",""
"7126893","10.4664","0.0006","35.353","0.002","39.212","0.002","90","","90","","90","","14509.2","1.4","100","","100","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C136 H134 B2 Co4 F48 N14 P2 -","- C136 H134 B2 Co4 F48 N14 P2 -","- C544 H536 B8 Co16 F192 N56 P8 -","4","0.5","","Spentzos, Ariana Z.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Unusual cyanide and methyl binding modes at a dicobalt macrocycle following acetonitrile C-C bond activation.","Chemical communications (Cambridge, England)","2020","56","67","9675","9678","10.1039/d0cc03521a","","","0.71073","MoKα","","0.0988","0.0692","","","0.1677","0.1885","","","","","","1.048","","","","has coordinates,has disorder","256028","2020-10-21","18:00:00",""
"7126894","7.2502","0.0002","16.1726","0.0004","13.4121","0.0003","90","","90","","90","","1572.63","0.07","303","2","303.28","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Cs2 O15 Pu Si6 -","- Cs2 O15 Pu Si6 -","- Cs8 O60 Pu4 Si24 -","4","0.5","","Pace, Kristen A.; Klepov, Vladislav V.; Christian, Matthew S.; Morrison, Gregory; Deason, Travis K.; Kutahyali Aslani, Ceren; Besmann, Theodore M.; Diprete, David P.; Amoroso, Jake W.; Zur Loye, Hans-Conrad","Targeting complex plutonium oxides by combining crystal chemical reasoning with density-functional theory calculations: the quaternary plutonium oxide Cs<sub>2</sub>PuSi<sub>6</sub>O<sub>15</sub>.","Chemical communications (Cambridge, England)","2020","56","66","9501","9504","10.1039/d0cc02674c","","","0.71073","MoKα","","0.0289","0.0287","","","0.065","0.0651","","","","","","1.16","","","","has coordinates","255987","2020-10-21","18:00:00",""
"7126895","7.2565","0.0002","16.2451","0.0004","13.4354","0.0003","90","","90","","90","","1583.8","0.07","302","2","302.05","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ce Cs2 O15 Si6 -","- Ce Cs2 O15 Si6 -","- Ce4 Cs8 O60 Si24 -","4","0.5","","Pace, Kristen A.; Klepov, Vladislav V.; Christian, Matthew S.; Morrison, Gregory; Deason, Travis K.; Kutahyali Aslani, Ceren; Besmann, Theodore M.; Diprete, David P.; Amoroso, Jake W.; Zur Loye, Hans-Conrad","Targeting complex plutonium oxides by combining crystal chemical reasoning with density-functional theory calculations: the quaternary plutonium oxide Cs<sub>2</sub>PuSi<sub>6</sub>O<sub>15</sub>.","Chemical communications (Cambridge, England)","2020","56","66","9501","9504","10.1039/d0cc02674c","","","0.71073","MoKα","","0.026","0.0258","","","0.0585","0.0586","","","","","","1.088","","","","has coordinates","255987","2020-10-21","18:00:00",""
"7126896","11.6345","0.0002","12.0011","0.0003","23.8695","0.0005","90","","90","","90","","3332.82","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","griseofulvin","","","- C17 H17 Cl O6 -","- C17 H17 Cl O6 -","- C136 H136 Cl8 O48 -","8","2","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0289","0.0281","","","0.072","0.0726","","","","","","1.044","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126897","13.1669","0.0001","15.4955","0.0001","18.8598","0.0001","90","","90","","90","","3847.92","0.04","297.99","0.15","297.99","0.15","","","","","","","","5","P b c a","-P 2ac 2ab","61","Lorlatinib","","","- C21 H19 F N6 O2 -","- C21 H19 F N6 O2 -","- C168 H152 F8 N48 O16 -","8","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.05","0.0422","","","0.1231","0.1302","","","","","","1.061","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126898","8.811","0.0001","9.661","0.0002","12.4893","0.0002","93.66","0.001","97.586","0.001","101.871","0.001","1026.74","0.03","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","Gefitinib","","","- C22 H24 Cl F N4 O3 -","- C22 H24 Cl F N4 O3 -","- C44 H48 Cl2 F2 N8 O6 -","2","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0362","0.034","","","0.0908","0.0925","","","","","","1.089","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126899","15.2412","0.0004","10.1051","0.0003","14.0138","0.0004","90","","100.491","0.003","90","","2122.24","0.11","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","Crizotinib","","","- C21 H22 Cl2 F N5 O -","- C21 H22 Cl2 F N5 O -","- C84 H88 Cl8 F4 N20 O4 -","4","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0696","0.0617","","","0.1681","0.1754","","","","","","1.061","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126900","8.8259","0.0001","15.2013","0.0002","12.9474","0.0001","90","","93.777","0.001","90","","1733.32","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nitrendipine","","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C72 H80 N8 O24 -","4","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0819","0.0766","","","0.2034","0.2078","","","","","","1.054","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126901","11.812","0.0002","12.3827","0.0002","14.7603","0.0002","80.868","0.002","81.207","0.002","65.701","0.002","1933.49","0.06","99.98","0.1","99.98","0.1","","","","","","","","5","P -1","-P 1","2","Axitinib","","","- C22 H18 N4 O S -","- C22 H18 N4 O S -","- C88 H72 N16 O4 S4 -","4","2","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0604","0.0549","","","0.142","0.146","","","","","","1.108","","","","has coordinates","295862","2024-11-09","12:08:11",""
"7126902","8.6846","0.0001","10.3809","0.0002","10.5107","0.0002","113.566","0.002","97.751","0.001","96.767","0.001","845.09","0.03","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","Clotrimazole","","","- C22 H17 Cl N2 -","- C22 H17 Cl N2 -","- C44 H34 Cl2 N4 -","2","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0434","0.0407","","","0.1025","0.1037","","","","","","1.112","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126903","10.6219","0.0004","10.4085","0.0004","14.78","0.0005","90","","94.879","0.003","90","","1628.13","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nifedipine","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0519","0.0471","","","0.1229","0.1269","","","","","","1.029","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126904","25.3104","0.0004","27.6509","0.0004","19.1485","0.0002","90","","96.126","0.001","90","","13324.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ciclopirox","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C576 H816 N48 O96 -","48","12","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","","1.54184","CuKα","","0.0978","0.0772","","","0.2011","0.2196","","","","","","1.019","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126905","12.9345","0.0002","6.0221","0.0001","34.8527","0.0008","90","","90","","90","","2714.78","0.09","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Fluconazole","","","- C13 H12 F2 N6 O -","- C13 H12 F2 N6 O -","- C104 H96 F16 N48 O8 -","8","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0536","0.0485","","","0.1241","0.1275","","","","","","1.05","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126906","8.3221","0.0001","13.3053","0.0002","22.7527","0.0003","90","","90","","90","","2519.36","0.06","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Repaglinide","","","- C27 H36 N2 O4 -","- C27 H36 N2 O4 -","- C108 H144 N8 O16 -","4","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0404","0.037","","","0.0921","0.0938","","","","","","1.049","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126907","13.7626","0.0001","10.7276","0.0001","14.7835","0.0001","90","","104.3","0.001","90","","2115","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nimodipine","","","- C21 H26 N2 O7 -","- C21 H26 N2 O7 -","- C84 H104 N8 O28 -","4","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0456","0.0447","","","0.1136","0.1143","","","","","","1.046","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126908","10.1427","0.0001","10.6044","0.0001","14.5141","0.0001","90","","90","","90","","1561.1","0.02","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Vildagliptin","","","- C17 H26 N3 O2 -","- C17 H25 N3 O2 -","- C68 H100 N12 O8 -","4","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.041","0.0384","","","0.0994","0.1027","","","","","","1.086","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126909","7.9234","0.0002","13.8743","0.0002","7.9286","0.0002","90","","114.547","0.002","90","","792.83","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Metformin","","","- C4 H11 Cl N5 -","- C4 H11 Cl N5 -","- C16 H44 Cl4 N20 -","4","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0421","0.0394","","","0.1119","0.1132","","","","","","1.032","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126910","5.064","0.0001","10.0139","0.0001","16.4073","0.0001","89.882","0.001","85.865","0.001","80.538","0.001","818.524","0.019","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","Celecoxib","","","- C17 H14 F3 N3 O2 S -","- C17 H14 F3 N3 O2 S -","- C34 H28 F6 N6 O4 S2 -","2","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0374","0.0351","","","0.0885","0.0899","","","","","","1.067","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126911","11.2582","0.0003","6.5471","0.0001","11.26","0.0003","90","","95.949","0.002","90","","825.49","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Aspirin","","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0701","0.068","","","0.1821","0.1847","","","","","","1.061","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126912","9.2173","0.0001","9.606","0.0002","10.8436","0.0002","69.959","0.002","87.197","0.001","69.501","0.002","842.09","0.03","99.97","0.11","99.97","0.11","","","","","","","","5","P -1","-P 1","2","Indomethacin","","","- C19 H16 Cl N O4 -","- C19 H16 Cl N O4 -","- C38 H32 Cl2 N2 O8 -","2","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0364","0.033","","","0.0823","0.0876","","","","","","1.111","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126913","7.0895","0.0001","9.2112","0.0001","11.5966","0.0001","90","","97.89","0.001","90","","750.122","0.015","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Paracetamol","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0433","0.0424","","","0.1125","0.1137","","","","","","1.125","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126914","10.6352","0.0001","14.3296","0.0001","10.8995","0.0001","90","","106.623","0.001","90","","1591.64","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Gliclazide","","","- C15 H21 N3 O3 S -","- C15 H21 N3 O3 S -","- C60 H84 N12 O12 S4 -","4","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0531","0.0514","","","0.1398","0.1415","","","","","","1.098","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126915","12.0936","0.0002","12.0624","0.0002","13.4258","0.0002","90","","116.167","0.002","90","","1757.8","0.06","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Felodipine","","","- C18 H19 Cl2 N O4 -","- C18 H19 Cl2 N O4 -","- C72 H76 Cl8 N4 O16 -","4","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0798","0.0782","","","0.1983","0.1997","","","","","","1.041","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126916","11.9152","0.0007","7.6328","0.0005","16.9893","0.0011","90","","93.025","0.006","90","","1542.96","0.17","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H17 Cl2 N O2 S -","- C14 H17 Cl2 N O2 S -","- C56 H68 Cl8 N4 O8 S4 -","4","2","","Craig, Donald; Spreadbury, Samuel R. J.; White, Andrew J. P.","Synthesis and hetero-Diels-Alder reactions of enantiomerically pure dihydro-1<i>H</i>-azepines.","Chemical communications (Cambridge, England)","2020","56","68","9803","9806","10.1039/d0cc04413j","","","0.71073","MoKα","","0.0778","0.0615","","","0.1388","0.1485","","","","","","1.034","","","","has coordinates,has disorder","256013","2020-10-21","18:00:00",""
"7126917","8.2726","0.0002","8.1657","0.0002","20.9582","0.0009","90","","94.621","0.003","90","","1411.16","0.08","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H29 Br N2 O6 S -","- C29 H29 Br N2 O6 S -","- C58 H58 Br2 N4 O12 S2 -","2","1","","Craig, Donald; Spreadbury, Samuel R. J.; White, Andrew J. P.","Synthesis and hetero-Diels-Alder reactions of enantiomerically pure dihydro-1<i>H</i>-azepines.","Chemical communications (Cambridge, England)","2020","56","68","9803","9806","10.1039/d0cc04413j","","","0.71073","MoKα","","0.0485","0.0362","","","0.0655","0.0701","","","","","","1.04","","","","has coordinates","256013","2020-10-21","18:00:00",""
"7126918","11.8791","0.0003","12.8935","0.0003","14.4464","0.0003","90","","90","","90","","2212.66","0.09","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Cl N4 O4 S -","- C22 H21 Cl N4 O4 S -","- C88 H84 Cl4 N16 O16 S4 -","4","1","","Craig, Donald; Spreadbury, Samuel R. J.; White, Andrew J. P.","Synthesis and hetero-Diels-Alder reactions of enantiomerically pure dihydro-1<i>H</i>-azepines.","Chemical communications (Cambridge, England)","2020","56","68","9803","9806","10.1039/d0cc04413j","","","1.54184","CuKα","","0.0399","0.0337","","","0.0761","0.0826","","","","","","1.072","","","","has coordinates","256013","2020-10-21","18:00:00",""
"7126919","13.9352","0.0004","23.768","0.0005","13.9594","0.0004","90","","113.163","0.003","90","","4250.8","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H44 Cl N7 O8 S -","- C44 H44 Cl N7 O8 S -","- C176 H176 Cl4 N28 O32 S4 -","4","2","","Craig, Donald; Spreadbury, Samuel R. J.; White, Andrew J. P.","Synthesis and hetero-Diels-Alder reactions of enantiomerically pure dihydro-1<i>H</i>-azepines.","Chemical communications (Cambridge, England)","2020","56","68","9803","9806","10.1039/d0cc04413j","","","1.54184","CuKα","","0.0647","0.045","","","0.0951","0.107","","","","","","1.018","","","","has coordinates,has disorder","256013","2020-10-21","18:00:00",""
"7126920","25.4396","0.0004","10.82292","0.00016","18.9442","0.0003","90","","111.485","0.0019","90","","4853.47","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O10 P2 W2 -","- C18 H14 O10 P2 W2 -","- C144 H112 O80 P16 W16 -","8","2","","Wang, Min; Yang, Tingting; Tian, Rongqiang; Wei, Donghui; Duan, Zheng; Mathey, François","The chemistry of phosphirane-substituted phosphinidene complexes.","Chemical communications (Cambridge, England)","2020","56","67","9707","9710","10.1039/d0cc04501b","","x-ray","1.54184","CuKα","","0.0525","0.0412","","","0.0989","0.1085","","","","","","1.042","","","","has coordinates","256029","2020-10-21","18:00:00",""
"7126921","15.924","0.005","15.924","0.005","9.853","0.003","90","","90","","90","","2498.5","1.3","300","2","300.13","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C10 H8 O5 P W -","- C10 H8 O5 P W -","- C80 H64 O40 P8 W8 -","8","1","","Wang, Min; Yang, Tingting; Tian, Rongqiang; Wei, Donghui; Duan, Zheng; Mathey, François","The chemistry of phosphirane-substituted phosphinidene complexes.","Chemical communications (Cambridge, England)","2020","56","67","9707","9710","10.1039/d0cc04501b","","","0.71073","MoKα","","0.0898","0.0582","","","0.1022","0.1107","","","","","","1.121","","","","has coordinates","256029","2020-10-21","18:00:00",""
"7126922","10.8615","0.0002","14.1665","0.0002","17.7114","0.0003","90","","90.165","0.002","90","","2725.23","0.08","200","0.1","200","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 O10 P2 W2 -","- C22 H20 O10 P2 W2 -","- C88 H80 O40 P8 W8 -","4","1","","Wang, Min; Yang, Tingting; Tian, Rongqiang; Wei, Donghui; Duan, Zheng; Mathey, François","The chemistry of phosphirane-substituted phosphinidene complexes.","Chemical communications (Cambridge, England)","2020","56","67","9707","9710","10.1039/d0cc04501b","","x-ray","1.54178","CuKα","","0.0585","0.0551","","","0.1493","0.1567","","","","","","1.048","","","","has coordinates","256029","2020-10-21","18:00:00",""
"7126923","12.1297","0.0004","17.3992","0.0006","18.9772","0.0007","87.053","0.003","85.059","0.003","74.342","0.003","3840.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 Mo2 O8 P4 -","- C32 H40 Mo2 O8 P4 -","- C128 H160 Mo8 O32 P16 -","4","2","","Wang, Min; Yang, Tingting; Tian, Rongqiang; Wei, Donghui; Duan, Zheng; Mathey, François","The chemistry of phosphirane-substituted phosphinidene complexes.","Chemical communications (Cambridge, England)","2020","56","67","9707","9710","10.1039/d0cc04501b","","x-ray","1.54184","CuKα","","0.0575","0.0431","","","0.1147","0.1295","","","","","","1.027","","","","has coordinates","256029","2020-10-21","18:00:00",""
"7126924","10.694","0.002","14.115","0.003","14.216","0.003","108.316","0.0014","109.057","0.0011","101.581","0.003","1812.1","0.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H41 F3 I2 N4 -","- C35 H41 F3 I2 N4 -","- C70 H82 F6 I4 N8 -","2","1","","Torita, Koki; Haraguchi, Ryosuke; Morita, Yoshitsugu; Kemmochi, Satoshi; Komatsu, Teruyuki; Fukuzawa, Shin-Ichi","Lewis acid-base synergistic catalysis of cationic halogen-bonding-donors with nucleophilic counter anions.","Chemical communications (Cambridge, England)","2020","56","67","9715","9718","10.1039/d0cc04013d","","","0.71075","MoKα","","0.0401","0.0311","","","0.0868","0.0894","","","","","","1.036","","","","has coordinates","256027","2020-10-21","18:00:00",""
"7126925","12.9903","0.0004","14.2793","0.0005","15.5742","0.0006","74.072","0.003","66.275","0.003","86.862","0.003","2538.12","0.17","150","2","150.15","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H42 Cl6 Cu2 F6 N6 O8 S3 -","- C38 H42 Cl6 Cu2 F6 N6 O8 S3 -","- C76 H84 Cl12 Cu4 F12 N12 O16 S6 -","2","1","","Mangue, Jordan; Gondre, Clément; Pécaut, Jacques; Duboc, Carole; Ménage, Stéphane; Torelli, Stéphane","Controlled O<sub>2</sub> reduction at a mixed-valent (II,I) Cu<sub>2</sub>S core.","Chemical communications (Cambridge, England)","2020","56","67","9636","9639","10.1039/d0cc03987j","","","0.71073","MoKα","","0.0691","0.0426","","","0.1041","0.1091","","","","","","0.911","","","","has coordinates,has disorder","256031","2020-10-21","18:00:00",""
"7126926","8.123","0.002","14.145","0.002","18.726","0.002","90","","100.18","0.02","90","","2117.7","0.7","293","1","293","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dibromocarbonyl{hydrotris(3,5-dimethylpyrazol-1-yl)borato)tungsten(III)","","- C16 H22 B Br2 N6 O W -","- C16 H22 B Br2 N6 O W -","- C64 H88 B4 Br8 N24 O4 W4 -","4","1","","Thomas, Simon; Gable, Robert W.; Young, Charles G.","Synthesis and characterisation of fifteen-electron dihalo(carbonyl)tungsten(iii) complexes, Tp*WX<sub>2</sub>(CO) (X = Br, I).","Chemical communications (Cambridge, England)","2020","56","71","10349","10352","10.1039/d0cc04607h","","","0.71073","MoKα","","0.0884","0.0671","","","0.1699","0.1826","","","","","","1.106","","","","has coordinates,has disorder","255979","2020-10-21","18:00:00",""
"7126927","8.1399","0.0011","14.223","0.002","19.364","0.004","90","","99.627","0.014","90","","2210.3","0.6","293","1","293","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","carbonyl{hydrotris(3,5-dimethylpyrazol-1-yl)borato)diiodotungsten(III)","","- C16 H22 B I2 N6 O W -","- C16 H22 B I2 N6 O W -","- C64 H88 B4 I8 N24 O4 W4 -","4","1","","Thomas, Simon; Gable, Robert W.; Young, Charles G.","Synthesis and characterisation of fifteen-electron dihalo(carbonyl)tungsten(iii) complexes, Tp*WX<sub>2</sub>(CO) (X = Br, I).","Chemical communications (Cambridge, England)","2020","56","71","10349","10352","10.1039/d0cc04607h","","","0.71073","MoKα","","0.0903","0.0755","","","0.1799","0.1873","","","","","","1.187","","","","has coordinates,has disorder","255979","2020-10-21","18:00:00",""
"7126928","8.4803","0.0003","12.4172","0.0009","9.5901","0.0006","90","","90","","90","","1009.85","0.1","333","2","333","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C12 H24 Co N10 Na O -","- C12 H24 Co N10 Na O -","- C24 H48 Co2 N20 Na2 O2 -","2","0.25","","Xu, Wei-Jian; Zeng, Ying; Yuan, Wei; Zhang, Wei-Xiong; Chen, Xiao-Ming","A large room-temperature entropy change in a new hybrid ferroelastic with an unconventional bond-switching mechanism.","Chemical communications (Cambridge, England)","2020","56","69","10054","10057","10.1039/d0cc04092d","","","0.71073","MoKα","","0.0627","0.0494","","","0.1268","0.1346","","","","","","1.027","","","","has coordinates,has disorder","255958","2020-10-21","18:00:00",""
"7126929","8.3357","0.0002","12.4689","0.0003","18.5938","0.0004","90","","90.564","0.002","90","","1932.49","0.08","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Co N10 Na O -","- C12 H24 Co N10 Na O -","- C48 H96 Co4 N40 Na4 O4 -","4","1","","Xu, Wei-Jian; Zeng, Ying; Yuan, Wei; Zhang, Wei-Xiong; Chen, Xiao-Ming","A large room-temperature entropy change in a new hybrid ferroelastic with an unconventional bond-switching mechanism.","Chemical communications (Cambridge, England)","2020","56","69","10054","10057","10.1039/d0cc04092d","","","0.71073","MoKα","","0.0331","0.0276","","","0.07","0.0751","","","","","","1.075","","","","has coordinates","255958","2020-10-21","18:00:00",""
"7126930","13.6054","0.0009","13.9682","0.0009","15.6806","0.001","66.457","0.002","65.954","0.002","81.255","0.002","2494.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H39 F6 N6 O2 P Ru -","- C49 H39 F6 N6 O2 P Ru -","- C98 H78 F12 N12 O4 P2 Ru2 -","2","1","","Ballester, Francisco J.; Ortega, Enrique; Bautista, Delia; Santana, M. Dolores; Ruiz, José","Ru(ii) photosensitizers competent for hypoxic cancers via green light activation.","Chemical communications (Cambridge, England)","2020","56","71","10301","10304","10.1039/d0cc02417a","","","0.71073","MoKα","","0.0757","0.0515","","","0.1042","0.1134","","","","","","1.085","","","","has coordinates,has disorder","255977","2020-10-21","18:00:00",""
"7126931","10.111","0.002","11.154","0.002","15.896","0.004","90","","104.51","0.009","90","","1735.5","0.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cu N2 O4 -","- C18 H12 Cu N2 O4 -","- C72 H48 Cu4 N8 O16 -","4","1","","Kamakura, Yoshinobu; Hikawa, Arata; Yoshikawa, Hirofumi; Kosaka, Wataru; Miyasaka, Hitoshi; Tanaka, Daisuke","Coordination distortion induced water adsorption in hydrophobic flexible metal-organic frameworks.","Chemical communications (Cambridge, England)","2020","56","64","9106","9109","10.1039/d0cc03772a","","","0.71075","MoKα","","0.1937","0.0918","","","0.1978","0.2758","","","","","","1.043","","","","has coordinates","255968","2020-10-21","18:00:00",""
"7126932","10.334","0.004","10.31","0.004","17.381","0.006","90","","104.83","0.006","90","","1790.1","1.2","293","2","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O2 S -","- C21 H16 N2 O2 S -","- C84 H64 N8 O8 S4 -","4","1","","Ansari, Mohd Yeshab; Swarnkar, Sumedha; Kumar, Atul","Stereoselective aminosulfonylation of alkynes: an approach to access (Z)-β-amino vinylsulfones.","Chemical communications (Cambridge, England)","2020","56","66","9561","9564","10.1039/d0cc03726e","","","0.71075","MoKα","","0.0811","0.0648","","","0.1447","0.1501","","","","","","0.866","","","","has coordinates","255983","2020-10-21","18:00:00",""
"7126933","6.5229","0.0016","20.072","0.005","10.299","0.003","90","","104.225","0.003","90","","1307.1","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Kurogi-Cr","[CrCl(dme)](CHSiMe3)(Cl)2","","- C15 H37 Cl4 Cr2 O4 Si -","- C12 H30 Cl4 Cr2 O4 Si -","- C24 H60 Cl8 Cr4 O8 Si2 -","2","1","","Murai, Masahito; Taniguchi, Ryuji; Kurogi, Takashi; Shunsuke, Moritani; Takai, Kazuhiko","Cyclization of 5-alkynones with chromium alkylidene equivalents generated in situ from gem-dichromiomethanes.","Chemical communications (Cambridge, England)","2020","56","67","9711","9714","10.1039/d0cc03986a","","","0.71075","MoKα","","0.0348","0.0298","","","0.0608","0.0626","","","","","","1.006","","","","has coordinates","256032","2020-10-21","18:00:00",""
"7126934","9.9121","0.0004","10.6798","0.0004","12.7892","0.0004","78.919","0.003","72.796","0.003","85.035","0.003","1268.53","0.08","124","2","124","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H9.5 Br3 Dy O10 S3 -","- C15 H9.5 Br3 Dy O10 S3 -","- C30 H19 Br6 Dy2 O20 S6 -","2","1","","Benmansour, Samia; Hernández-Paredes, Antonio; Mondal, Arpan; López Martínez, Gustavo; Canet-Ferrer, Josep; Konar, Sanjit; Gómez-García, Carlos J","Slow relaxation of the magnetization, reversible solvent exchange and luminescence in 2D anilato-based frameworks.","Chemical communications (Cambridge, England)","2020","56","68","9862","9865","10.1039/d0cc03964k","","","0.71073","MoKα","","0.0332","0.03","","","0.073","0.0747","","","","","","1.053","","","","has coordinates","256011","2020-10-21","18:00:00",""
"7126935","10.0215","0.0005","13.4454","0.0006","19.4727","0.0009","90","","95.859","0.004","90","","2610.1","0.2","119.7","0.9","119.7","0.9","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Br3 Dy N3 O9 -","- C18 H21 Br3 Dy N3 O9 -","- C72 H84 Br12 Dy4 N12 O36 -","4","1","","Benmansour, Samia; Hernández-Paredes, Antonio; Mondal, Arpan; López Martínez, Gustavo; Canet-Ferrer, Josep; Konar, Sanjit; Gómez-García, Carlos J","Slow relaxation of the magnetization, reversible solvent exchange and luminescence in 2D anilato-based frameworks.","Chemical communications (Cambridge, England)","2020","56","68","9862","9865","10.1039/d0cc03964k","","x-ray","0.71073","MoKα","","0.0876","0.0662","","","0.1603","0.1727","","","","","","1.123","","","","has coordinates","256011","2020-10-21","18:00:00",""
"7126936","9.0568","0.0004","10.2351","0.0004","10.916","0.0005","65.763","0.004","70.612","0.004","80.712","0.004","870","0.07","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","GL103","","- C9 H10 Br3 O12 Yb -","- C9 H10 Br3 O12 Yb -","- C18 H20 Br6 O24 Yb2 -","2","1","","Benmansour, Samia; Hernández-Paredes, Antonio; Mondal, Arpan; López Martínez, Gustavo; Canet-Ferrer, Josep; Konar, Sanjit; Gómez-García, Carlos J","Slow relaxation of the magnetization, reversible solvent exchange and luminescence in 2D anilato-based frameworks.","Chemical communications (Cambridge, England)","2020","56","68","9862","9865","10.1039/d0cc03964k","","","0.71073","MoKα","","0.0237","0.0224","","","0.0595","0.0608","","","","","","1.043","","","","has coordinates","256011","2020-10-21","18:00:00",""
"7126937","8.2617","0.0003","14.3435","0.0006","10.6028","0.0004","90","","98.182","0.001","90","","1243.66","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H12 F10 S2 Sn -","- C26 H12 F10 S2 Sn -","- C52 H24 F20 S4 Sn2 -","2","1","","Ramirez Y Medina, Isabel-Maria; Rohdenburg, Markus; Lork, Enno; Staubitz, Anne","Aggregation induced emission - emissive stannoles in the solid state.","Chemical communications (Cambridge, England)","2020","56","68","9775","9778","10.1039/d0cc04525j","","x-ray","0.71073","MoKα","","0.0181","0.0171","","","0.0399","0.0402","","","","","","1.053","","","","has coordinates,has disorder","256015","2020-10-21","18:00:00",""
"7126938","11.5212","0.0004","12.1354","0.0005","9.7135","0.0003","90","","104.176","0.001","90","","1316.73","0.08","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H20 F6 S2 Sn -","- C28 H20 F6 S2 Sn -","- C56 H40 F12 S4 Sn2 -","2","0.5","","Ramirez Y Medina, Isabel-Maria; Rohdenburg, Markus; Lork, Enno; Staubitz, Anne","Aggregation induced emission - emissive stannoles in the solid state.","Chemical communications (Cambridge, England)","2020","56","68","9775","9778","10.1039/d0cc04525j","","x-ray","0.71073","MoKα","","0.0305","0.0244","","","0.0496","0.0517","","","","","","1.083","","","","has coordinates,has disorder","256015","2020-10-21","18:00:00",""
"7126939","18.204","0.003","9.6686","0.0013","22.537","0.003","90","","112.803","0.013","90","","3656.7","1","100","","100","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C38 H44 Br2 N2 S2 Sn -","- C38 H44 Br2 N2 S2 Sn -","- C152 H176 Br8 N8 S8 Sn4 -","4","0.5","","Ramirez Y Medina, Isabel-Maria; Rohdenburg, Markus; Lork, Enno; Staubitz, Anne","Aggregation induced emission - emissive stannoles in the solid state.","Chemical communications (Cambridge, England)","2020","56","68","9775","9778","10.1039/d0cc04525j","","x-ray","0.71073","MoKα","","0.0432","0.0267","","","0.0457","0.0505","","","","","","1.067","","","","has coordinates","256015","2020-10-21","18:00:00",""
"7126940","9.5906","0.0005","19.6935","0.001","16.2093","0.0009","90","","95.607","0.002","90","","3046.8","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 F12 S2 Sn -","- C30 H18 F12 S2 Sn -","- C120 H72 F48 S8 Sn4 -","4","1","","Ramirez Y Medina, Isabel-Maria; Rohdenburg, Markus; Lork, Enno; Staubitz, Anne","Aggregation induced emission - emissive stannoles in the solid state.","Chemical communications (Cambridge, England)","2020","56","68","9775","9778","10.1039/d0cc04525j","","x-ray","0.71073","MoKα","","0.0451","0.0349","","","0.0835","0.0905","","","","","","1.042","","","","has coordinates,has disorder","256015","2020-10-21","18:00:00",""
"7126941","9.8916","0.0008","10.1278","0.0008","14.6801","0.001","90","","98.829","0.003","90","","1453.23","0.19","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H37 N3 O6 -","- C29 H37 N3 O6 -","- C58 H74 N6 O12 -","2","1","","Sadamitsu, Yuta; Saito, Kodai; Yamada, Tohru","Stereoselective amination via vinyl-silver intermediates derived from silver-catalyzed carboxylative cyclization of propargylamine.","Chemical communications (Cambridge, England)","2020","56","66","9517","9520","10.1039/d0cc02273j","","","0.71073","MoKα","","0.0396","0.0359","","","0.0875","0.0896","","","","","","1.347","","","","has coordinates","255990","2020-10-21","18:00:00",""
"7126942","9.6147","0.0002","12.4662","0.0003","12.8127","0.0003","92.315","0.001","106.443","0.001","104.289","0.001","1417.26","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H39 N3 O7 -","- C26 H39 N3 O7 -","- C52 H78 N6 O14 -","2","1","","Sadamitsu, Yuta; Saito, Kodai; Yamada, Tohru","Stereoselective amination via vinyl-silver intermediates derived from silver-catalyzed carboxylative cyclization of propargylamine.","Chemical communications (Cambridge, England)","2020","56","66","9517","9520","10.1039/d0cc02273j","","","0.71073","MoKα","","0.119","0.0758","","","0.2259","0.262","","","","","","1.449","","","","has coordinates","255990","2020-10-21","18:00:00",""
"7126943","10.6478","0.0012","3.6669","0.0005","18.5931","0.0018","90","","90.737","0.004","90","","725.9","0.15","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C3 H21 B2 N3 O12 -","- C3 H21 B2 N3 O12 -","- C6 H42 B4 N6 O24 -","2","1","","Deng, Yalan; Wang, Lei; Ge, Yuwei; Huang, Ling; Gao, Daojiang; Bi, Jian; Zou, Guohong","(NH<sub>4</sub>)<sub>3</sub>[B(OH)<sub>3</sub>]<sub>2</sub>(COOH)<sub>3</sub>: a graphite-like UV nonlinear optical material with a large birefringence <i>via</i> structural optimization.","Chemical communications (Cambridge, England)","2020","56","69","9982","9985","10.1039/d0cc01881c","","","0.71073","MoKα","","0.0424","0.0342","","","0.075","0.0793","","","","","","1.094","","","","has coordinates","255960","2020-10-21","18:00:00",""
"7126944","11.8308","0.0005","4.88","0.0002","12.3237","0.0006","90","","111.046","0.002","90","","664.04","0.05","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 Br O3 -","- C13 H15 Br O3 -","- C26 H30 Br2 O6 -","2","1","","Zhang, Yu-Long; Zhao, Zhen-Ni; Li, Wang-Lai; Li, Jing-Jie; Kalita, Subarna Jyoti; Schneider, Uwe; Huang, Yi-Yong","Catalytic asymmetric aldehyde prenylation and application in the total synthesis of (-)-rosiridol and (-)-bifurcadiol.","Chemical communications (Cambridge, England)","2020","56","69","10030","10033","10.1039/d0cc00367k","","","1.54178","CuKα","","0.071","0.0687","","","0.1703","0.1724","","","","","","1.059","","","","has coordinates","255965","2020-10-21","18:00:00",""
"7126945","6.5658","0.0002","10.3732","0.0003","13.065","0.0004","77.632","0.002","86.382","0.002","89.238","0.002","867.45","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Cl N5 O6 Pt -","- C15 H12 Cl N5 O6 Pt -","- C30 H24 Cl2 N10 O12 Pt2 -","2","1","","Norton, Amie E.; Abdolmaleki, Mahmood Karimi; Liang, Jiamin; Sharma, Malvika; Golsby, Robert; Zoller, Ann; Krause, Jeanette A.; Connick, William B.; Chatterjee, Sayandev","Phase transformation induced mechanochromism in a platinum salt: a tale of two polymorphs.","Chemical communications (Cambridge, England)","2020","56","70","10175","10178","10.1039/d0cc03436c","","","1.54178","CuKα","","0.0353","0.0333","","","0.0871","0.0887","","","","","","1.035","","","","has coordinates","255940","2020-10-21","18:00:00",""
"7126946","9.0638","0.0001","9.7744","0.0001","10.3917","0.0001","68.652","0.001","84.693","0.001","89.76","0.001","853.359","0.016","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Cl N5 O6 Pt -","- C15 H12 Cl N5 O6 Pt -","- C30 H24 Cl2 N10 O12 Pt2 -","2","1","","Norton, Amie E.; Abdolmaleki, Mahmood Karimi; Liang, Jiamin; Sharma, Malvika; Golsby, Robert; Zoller, Ann; Krause, Jeanette A.; Connick, William B.; Chatterjee, Sayandev","Phase transformation induced mechanochromism in a platinum salt: a tale of two polymorphs.","Chemical communications (Cambridge, England)","2020","56","70","10175","10178","10.1039/d0cc03436c","","","1.54178","CuKα","","0.0349","0.032","","","0.0795","0.0811","","","","","","1.05","","","","has coordinates","255940","2020-10-21","18:00:00",""
"7126947","11.5092","0.0014","10.5574","0.0012","35.527","0.004","90","","90","","90","","4316.8","0.9","120","2","120","2","","","","","","","","7","P m n a","-P 2ac 2","53","","","","- C31 H23 Cl2 F12 Fe N7 P2 -","- C31 H23 Cl2 F12 Fe N7 P2 -","- C124 H92 Cl8 F48 Fe4 N28 P8 -","4","0.5","","Fujisaki, Hiroto; Ishizuka, Tomoya; Shimoyama, Yoshihiro; Kotani, Hiroaki; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Selective catalytic 2e<sup>-</sup>-oxidation of organic substrates by an Fe<sup>II</sup> complex having an N-heterocyclic carbene ligand in water.","Chemical communications (Cambridge, England)","2020","56","68","9783","9786","10.1039/d0cc03289a","","","0.71073","MoKα","","0.0886","0.0687","","","0.1305","0.1375","","","","","","1.126","","","","has coordinates","256020","2020-10-21","18:00:00",""
"7126948","12.005","0.006","14.781","0.007","23.238","0.011","85.501","0.006","87.116","0.006","73.751","0.006","3945","3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H36 Cl4 Fe N6 O14 -","- C33 H36 Cl4 Fe N6 O14 -","- C132 H144 Cl16 Fe4 N24 O56 -","4","2","","Fujisaki, Hiroto; Ishizuka, Tomoya; Shimoyama, Yoshihiro; Kotani, Hiroaki; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Selective catalytic 2e<sup>-</sup>-oxidation of organic substrates by an Fe<sup>II</sup> complex having an N-heterocyclic carbene ligand in water.","Chemical communications (Cambridge, England)","2020","56","68","9783","9786","10.1039/d0cc03289a","","","0.71073","MoKα","","0.1695","0.0984","","","0.2155","0.2559","","","","","","1.021","","","","has coordinates,has disorder","256020","2020-10-21","18:00:00",""
"7126949","28.067","0.006","20.574","0.004","18.052","0.004","90","","97.215","0.007","90","","10342","4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C93.64 H148.93 K2 N2 Ni3 O8 P2 Si4 -","- C95.732 H156 K2 N2 Ni3 O8 P2 Si4 -","- C382.928 H624 K8 N8 Ni12 O32 P8 Si16 -","4","0.5","","Shoshani, Manar M.; Agapie, Theodor","Ligand architecture for triangular metal complexes: a high oxidation state Ni<sub>3</sub> cluster with proximal metal arrangement.","Chemical communications (Cambridge, England)","2020","56","76","11279","11282","10.1039/d0cc03816d","","","0.71073","MoKα","","0.085","0.0562","","","0.1475","0.1755","","","","","","1.101","","","","has coordinates,has disorder","257249","2020-10-21","18:00:00",""
"7126950","25.101","0.009","30.772","0.012","18.538","0.007","90","","100.85","0.03","90","","14063","9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C112.83 H176.5 Fe N2 Ni3 O7.47 P2 Si2.94 -","- C112.814 H176.442 Fe N2 Ni3 O7.469 P2 Si2.938 -","- C451.256 H705.768 Fe4 N8 Ni12 O29.876 P8 Si11.752 -","4","1","","Shoshani, Manar M.; Agapie, Theodor","Ligand architecture for triangular metal complexes: a high oxidation state Ni<sub>3</sub> cluster with proximal metal arrangement.","Chemical communications (Cambridge, England)","2020","56","76","11279","11282","10.1039/d0cc03816d","","","0.71073","MoKα","","0.1714","0.1338","","","0.2779","0.2968","","","","","","1.015","","","","has coordinates,has disorder","257249","2020-10-21","18:00:00",""
"7126951","11.712","0.002","11.717","0.002","17.423","0.003","90","","90","","90","","2390.9","0.7","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H25 N O8 -","- C25 H25 N O8 -","- C100 H100 N4 O32 -","4","1","","Yu, Yang; Wang, Xin-Yu; Peng, Ju-Yin; Liu, Tao; Zhao, Yu-Long","Copper-catalyzed cascade cyclization reaction of 3-aminocyclobutenones with electron-deficient internal alkynes: synthesis of fully substituted indoles.","Chemical communications (Cambridge, England)","2020","56","68","9815","9818","10.1039/d0cc00512f","","","1.54178","CuKα","","0.0399","0.0329","","","0.0733","0.077","","","","","","1.067","","","","has coordinates","256012","2020-10-21","18:00:00",""
"7126952","11.548","0.0004","22.1219","0.0007","22.729","0.0008","90","","90","","90","","5806.4","0.3","183","2","183.29","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H82 B2 F8 N4 Ni O10 -","- C50 H82 B2 F8 N4 Ni O10 -","- C200 H328 B8 F32 N16 Ni4 O40 -","4","1","","Yang, Wei; Lin, Xiaobin; Zhang, Yongyan; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Nickel(II)-catalyzed asymmetric thio-Claisen rearrangement of α-diazo pyrazoleamides with thioindoles.","Chemical communications (Cambridge, England)","2020","56","69","10002","10005","10.1039/d0cc04590j","","","1.54178","CuKα","","0.06","0.0549","","","0.1541","0.1605","","","","","","1.05","","","","has coordinates,has disorder","255957","2020-10-21","18:00:00",""
"7126953","67.83","0.1","8.284","0.008","8.771","0.013","90","","90.65","0.05","90","","4928","11","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H27 N3 O3 S -","- C26 H27 N3 O3 S -","- C208 H216 N24 O24 S8 -","8","2","","Yang, Wei; Lin, Xiaobin; Zhang, Yongyan; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Nickel(II)-catalyzed asymmetric thio-Claisen rearrangement of α-diazo pyrazoleamides with thioindoles.","Chemical communications (Cambridge, England)","2020","56","69","10002","10005","10.1039/d0cc04590j","","","0.71073","MoKα","","0.0587","0.0437","","","0.0983","0.1072","","","","","","1.038","","","","has coordinates","295862","2024-11-09","12:08:11",""
"7126954","12.795","0.0004","7.636","0.0002","13.0428","0.0004","90","","114.686","0.001","90","","1157.86","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H27 N3 O2 S -","- C26 H27 N3 O2 S -","- C52 H54 N6 O4 S2 -","2","1","","Yang, Wei; Lin, Xiaobin; Zhang, Yongyan; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Nickel(II)-catalyzed asymmetric thio-Claisen rearrangement of α-diazo pyrazoleamides with thioindoles.","Chemical communications (Cambridge, England)","2020","56","69","10002","10005","10.1039/d0cc04590j","","","1.54178","CuKα","","0.0266","0.026","","","0.0687","0.0693","","","","","","1.045","","","","has coordinates","255957","2020-10-21","18:00:00",""
"7126955","6.8735","0.0001","8.7567","0.0001","31.8081","0.0004","90","","90","","90","","1914.5","0.04","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 O2 -","- C24 H22 O2 -","- C96 H88 O8 -","4","1","","Hu, Jiadong; Gao, Yu-Qi; Xu, Dongyang; Chen, Le; Wen, Wen; Hou, Yi; Chen, Lu; Xie, Weiqing","Highly enantioselective addition of aliphatic aldehydes to 2-hydroxychalcone enabled by cooperative organocatalysts.","Chemical communications (Cambridge, England)","2020","56","69","10018","10021","10.1039/d0cc04424e","","","1.54178","CuKα","","0.0401","0.0363","","","0.0935","0.0965","","","","","","1.023","","","","has coordinates","255961","2020-10-21","18:00:00",""
"7126956","23.5752","0.0015","33.8217","0.0017","22.6177","0.0014","90","","101.29","0.002","90","","17685.3","1.8","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C179 H209 Cl3 N12 O52 -","- C179 H209 Cl3 N12 O52 -","- C716 H836 Cl12 N48 O208 -","4","1","","Wan, Kang; Gao, Shi-Chang; Fang, Xu; Xu, Meng-Yu; Yang, Yong; Xue, Min","Oxacalix[4]arene-bridged pillar[5]arene dimers: syntheses, planar chirality and construction of chiral rotaxanes.","Chemical communications (Cambridge, England)","2020","56","70","10155","10158","10.1039/d0cc04375c","","","0.71073","MoKα","","0.1179","0.0756","","","0.2027","0.2322","","","","","","1.035","","","","has coordinates","255939","2020-10-21","18:00:00",""
"7126957","14.4932","0.0011","21.9303","0.0016","24.2711","0.0018","85.199","0.002","74.81","0.002","83.34","0.002","7383.1","1","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C132 H158 Cl6 N4 O28 -","- C132 H158 Cl6 N4 O28 -","- C264 H316 Cl12 N8 O56 -","2","1","","Wan, Kang; Gao, Shi-Chang; Fang, Xu; Xu, Meng-Yu; Yang, Yong; Xue, Min","Oxacalix[4]arene-bridged pillar[5]arene dimers: syntheses, planar chirality and construction of chiral rotaxanes.","Chemical communications (Cambridge, England)","2020","56","70","10155","10158","10.1039/d0cc04375c","","","0.71073","MoKα","","0.1366","0.0898","","","0.2653","0.301","","","","","","1.054","","","","has coordinates","255939","2020-10-21","18:00:00",""
"7126958","10.1378","0.0003","10.9386","0.0003","23.3534","0.0006","87.576","0.002","85.907","0.002","86.452","0.002","2576.31","0.12","180.15","","180.15","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H66 N4 O15 S2 -","- C54 H66 N4 O15 S2 -","- C108 H132 N8 O30 S4 -","2","1","","Li, Haidong; Duwald, Romain; Pascal, Simon; Voci, Silvia; Besnard, Céline; Bosson, Johann; Bouffier, Laurent; Lacour, Jérôme; Sojic, Neso","Near-infrared electrochemiluminescence in water through regioselective sulfonation of diaza [4] and [6]helicene dyes.","Chemical communications (Cambridge, England)","2020","56","68","9771","9774","10.1039/d0cc04156d","","x-ray","1.54184","CuKα","","0.0793","0.0664","","","0.186","0.1976","","","","","","1.043","","","","has coordinates,has disorder","256017","2020-10-21","18:00:00",""
"7126959","8.8126","0.0005","11.9355","0.0008","12.5355","0.0008","68.761","0.002","74.151","0.002","75.96","0.002","1166.97","0.13","100.09","","100.09","","","","","","","","","7","P -1","-P 1","2","","[C10Br10][As2F11]2","","- C10 As4 Br10 Cl4 F26 O8 S4 -","- C10 As4 Br10 Cl4 F26 O8 S4 -","- C10 As4 Br10 Cl4 F26 O8 S4 -","1","0.5","","Rupf, Susanne Margot; Pröhm, Patrick; Malischewski, Moritz","The [2+2] cycloaddition product of perhalogenated cyclopentadienyl cations: structural characterization of salts of the [C<sub>10</sub>Cl<sub>10</sub>]<sup>2+</sup> and [C<sub>10</sub>Br<sub>10</sub>]<sup>2+</sup> dications.","Chemical communications (Cambridge, England)","2020","56","68","9834","9837","10.1039/d0cc04226a","","x-ray","0.71073","MoKα","","0.0319","0.0283","","","0.0601","0.0617","","","","","","0.987","","","","has coordinates,has disorder","256016","2020-10-21","18:00:00",""
"7126960","8.2289","0.0004","10.3003","0.0005","12.507","0.0006","97.189","0.002","107.491","0.002","111.379","0.002","908.04","0.08","100","","100","","","","","","","","","2","P -1","-P 1","2","","Hexachlorocyclopentadien","","- C5 Cl6 -","- C5 Cl6 -","- C20 Cl24 -","4","2","","Rupf, Susanne Margot; Pröhm, Patrick; Malischewski, Moritz","The [2+2] cycloaddition product of perhalogenated cyclopentadienyl cations: structural characterization of salts of the [C<sub>10</sub>Cl<sub>10</sub>]<sup>2+</sup> and [C<sub>10</sub>Br<sub>10</sub>]<sup>2+</sup> dications.","Chemical communications (Cambridge, England)","2020","56","68","9834","9837","10.1039/d0cc04226a","","x-ray","0.71073","MoKα","","0.0244","0.0206","","","0.0515","0.0541","","","","","","1.056","","","","has coordinates","256016","2020-10-21","18:00:00",""
"7126961","8.5108","0.0005","7.1691","0.0004","21.9711","0.0011","90","","90","","90","","1340.56","0.13","103.68","","103.68","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Hexabromocyclopentadien","","- C7 H3 Br6 N -","- C7 H3 Br6 N -","- C28 H12 Br24 N4 -","4","0.5","","Rupf, Susanne Margot; Pröhm, Patrick; Malischewski, Moritz","The [2+2] cycloaddition product of perhalogenated cyclopentadienyl cations: structural characterization of salts of the [C<sub>10</sub>Cl<sub>10</sub>]<sup>2+</sup> and [C<sub>10</sub>Br<sub>10</sub>]<sup>2+</sup> dications.","Chemical communications (Cambridge, England)","2020","56","68","9834","9837","10.1039/d0cc04226a","","","0.71073","MoKα","","0.0491","0.0474","","","0.138","0.1392","","","","","","1.08","","","","has coordinates,has disorder","256016","2020-10-21","18:00:00",""
"7126962","9.8021","0.0004","19.9917","0.0008","12.0793","0.0005","90","","97.406","0.001","90","","2347.32","0.17","102.37","","102.37","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[C10Cl10][Sb3F16]2","","- C10 Cl12 F34 O4 S2 Sb6 -","- C10 Cl12 F34 O4 S2 Sb6 -","- C20 Cl24 F68 O8 S4 Sb12 -","2","0.5","","Rupf, Susanne Margot; Pröhm, Patrick; Malischewski, Moritz","The [2+2] cycloaddition product of perhalogenated cyclopentadienyl cations: structural characterization of salts of the [C<sub>10</sub>Cl<sub>10</sub>]<sup>2+</sup> and [C<sub>10</sub>Br<sub>10</sub>]<sup>2+</sup> dications.","Chemical communications (Cambridge, England)","2020","56","68","9834","9837","10.1039/d0cc04226a","","x-ray","0.71073","MoKα","","0.0204","0.0195","","","0.0448","0.0451","","","","","","1.25","","","","has coordinates,has disorder","256016","2020-10-21","18:00:00",""
"7126963","16.4452","0.0003","18.9661","0.0003","19.6218","0.0003","90","","90","","90","","6120.07","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H57 N5 O21 Zn4 -","- C54 H57 N5 O21 Zn4 -","- C216 H228 N20 O84 Zn16 -","4","1","","Dodson, Ryan A.; Kalenak, Andre P.; Du Bois, Derek R.; Gill-Ljunghammer, Sasha L; Matzger, Adam J.","N,N-Diethyl-3-methylbenzamide (DEET) acts as a metal-organic framework synthesis solvent with phase-directing capabilities.","Chemical communications (Cambridge, England)","2020","56","69","9966","9969","10.1039/d0cc02741c","","","1.54184","CuKα","","0.0438","0.0408","","","0.1085","0.1109","","","","","","1.047","","","","has coordinates,has disorder","255962","2020-10-21","18:00:00",""
"7126964","11.1889","0.0012","15.6583","0.0016","11.3387","0.0012","90","","103.564","0.002","90","","1931.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 F3 O7 S -","- C19 H19 F3 O7 S -","- C76 H76 F12 O28 S4 -","4","1","","Zhang, Da-Wei; Fan, Hui-Lan; Zhang, Wenzhao; Li, Cheng-Ji; Luo, Sanzhong; Qin, Hong-Bo","Collective enantioselective total synthesis of (+)-sinensilactam A, (+)-lingzhilactone B and (-)-lingzhiol: divergent reactivity of styrene.","Chemical communications (Cambridge, England)","2020","56","69","10066","10069","10.1039/d0cc04064a","","","0.71073","MoKα","","0.0498","0.0385","","","0.105","0.1123","","","","","","1.073","","","","has coordinates","255963","2020-10-21","18:00:00",""
"7126965","18.9306","0.0014","11.0428","0.0008","21.1989","0.0016","90","","114.695","0.001","90","","4026.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N O8 -","- C22 H25 N O8 -","- C176 H200 N8 O64 -","8","2","","Zhang, Da-Wei; Fan, Hui-Lan; Zhang, Wenzhao; Li, Cheng-Ji; Luo, Sanzhong; Qin, Hong-Bo","Collective enantioselective total synthesis of (+)-sinensilactam A, (+)-lingzhilactone B and (-)-lingzhiol: divergent reactivity of styrene.","Chemical communications (Cambridge, England)","2020","56","69","10066","10069","10.1039/d0cc04064a","","","0.71073","MoKα","","0.0842","0.0488","","","0.1096","0.1259","","","","","","1.006","","","","has coordinates","255963","2020-10-21","18:00:00",""
"7126966","10.6093","0.0009","11.4966","0.001","12.6556","0.0007","63.223","0.005","69.002","0.004","62.815","0.005","1203.04","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H24 N4 O -","- C29 H24 N4 O -","- C58 H48 N8 O2 -","2","1","","Maeda, Takeshi; Liess, Andreas; Kudzus, Astrid; Krause, Ana-Maria; Stolte, Matthias; Amitani, Hitoshi; Yagi, Shigeyuki; Fujiwara, Hideki; Würthner, Frank","Hydrogen bond-rigidified planar squaraine dye and its electronic and organic semiconductor properties.","Chemical communications (Cambridge, England)","2020","56","68","9890","9893","10.1039/d0cc04306k","","","1.54178","CuKα","","0.0465","0.041","","","0.1069","0.112","","","","","","1.022","","","","has coordinates","256014","2020-10-21","18:00:00",""
"7126967","10.041","0.0016","11.3867","0.0019","11.654","0.003","85.675","0.009","81.578","0.008","68.373","0.006","1225","0.4","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 F2 N4 O -","- C29 H22 F2 N4 O -","- C58 H44 F4 N8 O2 -","2","1","","Maeda, Takeshi; Liess, Andreas; Kudzus, Astrid; Krause, Ana-Maria; Stolte, Matthias; Amitani, Hitoshi; Yagi, Shigeyuki; Fujiwara, Hideki; Würthner, Frank","Hydrogen bond-rigidified planar squaraine dye and its electronic and organic semiconductor properties.","Chemical communications (Cambridge, England)","2020","56","68","9890","9893","10.1039/d0cc04306k","","","0.71075","MoKα","","","0.0444","","","","0.0543","","","","","","1.073","","","","has coordinates","256014","2020-10-21","18:00:00",""
"7126968","11.1507","0.0008","11.5156","0.0006","11.6809","0.0008","74.098","0.005","80.106","0.006","83.183","0.005","1416.99","0.16","100","1","100","1","","","","","","","synthesis as described","4","P -1","-P 1","2","2,2?,7,7?-tetrabromo-9,9?-spriosilabifluorene","2,2?,7,7?-tetrabromo-9,9?-spriosilabifluorene","","- C31 H20 Br4 Si -","- C31 H20 Br4 Si -","- C62 H40 Br8 Si2 -","2","1","","Nesmelov, Andrei; Lee, David; Bejger, Christopher; Kocherga, Margaret; Lyles, Zachary; Greenier, Madeline K.; Vitallo, Ashley Ariel; Kaouk, Ghallia; Jones, Daniel S.; Schmedake, Thomas A.","Accessing new microporous polyspirobifluorenes via a C/Si switch.","Chemical communications (Cambridge, England)","2020","56","68","9846","9849","10.1039/d0cc02767g","","x-ray","1.54184","CuKα","","0.0354","0.0326","","","0.0853","0.0877","","","","","","1.069","","","","has coordinates","256009","2020-10-21","18:00:00",""
"7126969","10.3068","0.0002","14.7409","0.0002","28.6394","0.0004","90","","90","","90","","4351.23","0.12","106","8","106","8","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","3,3?6,6?-tetrabromo-9,9?-spriosilabifluorene","3,3?6,6?-tetrabromo-9,9?-spriosilabifluorene","","- C24 H12 Br4 Si -","- C24 H12 Br4 Si -","- C192 H96 Br32 Si8 -","8","1","","Nesmelov, Andrei; Lee, David; Bejger, Christopher; Kocherga, Margaret; Lyles, Zachary; Greenier, Madeline K.; Vitallo, Ashley Ariel; Kaouk, Ghallia; Jones, Daniel S.; Schmedake, Thomas A.","Accessing new microporous polyspirobifluorenes via a C/Si switch.","Chemical communications (Cambridge, England)","2020","56","68","9846","9849","10.1039/d0cc02767g","","x-ray","1.54182","CuKα","","0.0183","0.0177","","","0.0443","0.0446","","","","","","1.158","","","","has coordinates","256009","2020-10-21","18:00:00",""
"7126970","9.1674","0.0007","10.6202","0.0009","22.2091","0.0016","90","","90","","90","","2162.3","0.3","294.41","0.1","294.41","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H34 B2 Cl2 N4 -","- C17 H34 B2 Cl2 N4 -","- C68 H136 B8 Cl8 N16 -","4","1","","Fırıncı, Erkan; Fırıncı, Rukiye; Sevinçek, Resul; Aygün, Muhittin; Şahin, Yüksel","Neutral cyclic sp<sup>2</sup>-sp<sup>3</sup> and sp<sup>3</sup>-sp<sup>3</sup> diboranes from <i>N</i>,<i>N</i>'-dicyclohexylcarbodiimide insertion into 1,2-dichlorodiboranes(4).","Chemical communications (Cambridge, England)","2020","56","68","9807","9810","10.1039/d0cc03454a","","x-ray","0.71073","MoKα","","0.0618","0.0431","","","0.0806","0.0924","","","","","","1.016","","","","has coordinates","256010","2020-10-21","18:00:00",""
"7126971","10.335","0.003","22.822","0.007","13.912","0.004","90","","102.15","0.03","90","","3207.9","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H48 B2 Cl2 N2 -","- C33 H48 B2 Cl2 N2 -","- C132 H192 B8 Cl8 N8 -","4","1","","Fırıncı, Erkan; Fırıncı, Rukiye; Sevinçek, Resul; Aygün, Muhittin; Şahin, Yüksel","Neutral cyclic sp<sup>2</sup>-sp<sup>3</sup> and sp<sup>3</sup>-sp<sup>3</sup> diboranes from <i>N</i>,<i>N</i>'-dicyclohexylcarbodiimide insertion into 1,2-dichlorodiboranes(4).","Chemical communications (Cambridge, England)","2020","56","68","9807","9810","10.1039/d0cc03454a","","x-ray","0.71073","MoKα","","0.3834","0.0942","","","0.1076","0.1901","","","","","","0.897","","","","has coordinates,has disorder","256010","2020-10-21","18:00:00",""
"7126972","17.638","0.0016","17.638","0.0016","24.541","0.003","90","","90","","90","","7634.7","1.4","295","","295","","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C30 H56 B2 Cl2 N6 -","- C30 H56 B2 Cl2 N6 -","- C240 H448 B16 Cl16 N48 -","8","0.5","","Fırıncı, Erkan; Fırıncı, Rukiye; Sevinçek, Resul; Aygün, Muhittin; Şahin, Yüksel","Neutral cyclic sp<sup>2</sup>-sp<sup>3</sup> and sp<sup>3</sup>-sp<sup>3</sup> diboranes from <i>N</i>,<i>N</i>'-dicyclohexylcarbodiimide insertion into 1,2-dichlorodiboranes(4).","Chemical communications (Cambridge, England)","2020","56","68","9807","9810","10.1039/d0cc03454a","","x-ray","0.71073","MoKα","","0.1142","0.0476","","","0.0887","0.1059","","","","","","0.934","","","","has coordinates,has disorder","256010","2020-10-21","18:00:00",""
"7126973","27.4699","0.0011","9.5594","0.0004","18.4011","0.0007","90","","129.344","0.002","90","","3736.9","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 Ca F6 N8 O8 -","- C40 H30 Ca F6 N8 O8 -","- C160 H120 Ca4 F24 N32 O32 -","4","0.5","","Trautnitz, Markus F. K.; Haas, Tobias; Schubert, Hartmut; Seitz, Michael","Unexpected discovery of calcium cryptates with exceptional stability.","Chemical communications (Cambridge, England)","2020","56","68","9874","9877","10.1039/d0cc04050a","","","0.71073","MoKα","","0.1415","0.1028","","","0.256","0.2847","","","","","","0.97","","","","has coordinates","256019","2020-10-21","18:00:00",""
"7126974","27.2841","0.0009","9.7632","0.0003","17.9917","0.0005","90","","127.373","0.001","90","","3808.7","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Ca F6 N8 O10 S2 -","- C38 H30 Ca F6 N8 O10 S2 -","- C152 H120 Ca4 F24 N32 O40 S8 -","4","0.5","","Trautnitz, Markus F. K.; Haas, Tobias; Schubert, Hartmut; Seitz, Michael","Unexpected discovery of calcium cryptates with exceptional stability.","Chemical communications (Cambridge, England)","2020","56","68","9874","9877","10.1039/d0cc04050a","","","0.71073","MoKα","","0.0492","0.0438","","","0.1175","0.1211","","","","","","1.054","","","","has coordinates","256019","2020-10-21","18:00:00",""
"7126975","20.246","0.0009","15.263","0.0007","21.6226","0.001","90","","114.172","0.002","90","","6095.9","0.5","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C63 H84 O10 S6 -","- C63 H84 O10 S6 -","- C252 H336 O40 S24 -","4","0.5","","Shin, Mingyeong; Seo, Sujin; Park, In-Hyeok; Lee, Eunji; Habata, Yoichi; Lee, Shim Sung","Metallosupramolecules of pillar[5]-bis-trithiacrown including a mercury(ii) iodide ion-triplet complex.","Chemical communications (Cambridge, England)","2020","56","70","10135","10138","10.1039/d0cc03902k","","","0.71073","MoKα","","0.1489","0.1043","","","0.3368","0.3753","","","","","","1.354","","","","has coordinates,has disorder","255944","2020-10-21","18:00:00",""
"7126976","11.9926","0.0006","27.2154","0.0012","20.3121","0.0011","90","","93.071","0.003","90","","6620","0.6","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C59 H74 Cl6 Hg O10 S6 -","- C59 H74 Cl6 Hg O10 S6 -","- C236 H296 Cl24 Hg4 O40 S24 -","4","1","","Shin, Mingyeong; Seo, Sujin; Park, In-Hyeok; Lee, Eunji; Habata, Yoichi; Lee, Shim Sung","Metallosupramolecules of pillar[5]-bis-trithiacrown including a mercury(ii) iodide ion-triplet complex.","Chemical communications (Cambridge, England)","2020","56","70","10135","10138","10.1039/d0cc03902k","","","0.71073","MoKα","","0.0941","0.0583","","","0.1282","0.1453","","","","","","1.025","","","","has coordinates,has disorder","255944","2020-10-21","18:00:00",""
"7126977","15.5878","0.0002","20.0801","0.0003","24.7383","0.0004","90","","94.682","0.001","90","","7717.4","0.2","173","2","173","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C59 H73.5 Br6 Cl0.5 Hg3 N O10 S6 -","- C59 H73.5 Br6 Hg3 N O10 S6 -","- C236 H294 Br24 Hg12 N4 O40 S24 -","4","2","","Shin, Mingyeong; Seo, Sujin; Park, In-Hyeok; Lee, Eunji; Habata, Yoichi; Lee, Shim Sung","Metallosupramolecules of pillar[5]-bis-trithiacrown including a mercury(ii) iodide ion-triplet complex.","Chemical communications (Cambridge, England)","2020","56","70","10135","10138","10.1039/d0cc03902k","","","0.71073","MoKα","","0.0673","0.0438","","","0.0718","0.0763","","","","","","1.014","","","","has coordinates","294326","2024-09-02","09:37:26",""
"7126978","20.1865","0.0004","15.1666","0.0003","22.7025","0.0004","90","","120.148","0.001","90","","6010.4","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H70 Hg I2 O10 S6 -","- C57 H70 Hg I2 O10 S6 -","- C228 H280 Hg4 I8 O40 S24 -","4","1","","Shin, Mingyeong; Seo, Sujin; Park, In-Hyeok; Lee, Eunji; Habata, Yoichi; Lee, Shim Sung","Metallosupramolecules of pillar[5]-bis-trithiacrown including a mercury(ii) iodide ion-triplet complex.","Chemical communications (Cambridge, England)","2020","56","70","10135","10138","10.1039/d0cc03902k","","","0.71073","MoKα","","0.1095","0.0557","","","0.1518","0.1827","","","","","","1.065","","","","has coordinates,has disorder","255944","2020-10-21","18:00:00",""
"7126979","10.1079","0.0009","10.1079","0.0009","21.838","0.003","90","","90","","120","","1932.3","0.4","299","2","299","","","","","","","","","7","P 65","P 65","170","","","","- C8 H10 Br N O4 Pb S -","- C8 H10 Br N O4 Pb S -","- C48 H60 Br6 N6 O24 Pb6 S6 -","6","1","","Song, Xueling; Peng, Chengdong; Xu, Xiaoxiang; Yin, Jinlin; Fei, Honghan","Efficient, broadband self-trapped white-light emission from haloplumbate-based metal-organic frameworks.","Chemical communications (Cambridge, England)","2020","56","69","10078","10081","10.1039/d0cc04473c","","","0.71073","MoKα","","0.0221","0.021","","","0.0533","0.0539","","","","","","1.033","","","","has coordinates,has disorder","255959","2020-10-21","18:00:00",""
"7126980","10.0345","0.0009","10.0345","0.0009","21.669","0.002","90","","90","","120","","1889.6","0.3","296","2","296.15","","","","","","","","","7","P 61","P 61","169","","","","- C8 H10 Cl N O4 Pb S -","- C8 H10 Cl N O4 Pb S -","- C48 H60 Cl6 N6 O24 Pb6 S6 -","6","1","","Song, Xueling; Peng, Chengdong; Xu, Xiaoxiang; Yin, Jinlin; Fei, Honghan","Efficient, broadband self-trapped white-light emission from haloplumbate-based metal-organic frameworks.","Chemical communications (Cambridge, England)","2020","56","69","10078","10081","10.1039/d0cc04473c","","","0.71073","MoKα","","0.0301","0.0238","","","0.0444","0.0458","","","","","","1.009","","","","has coordinates,has disorder","255959","2020-10-21","18:00:00",""
"7126981","9.721","0.0019","14.384","0.003","17.153","0.003","88.5","0.03","86.85","0.03","77.08","0.03","2334","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H62.5 Cl Li N11.5 O7 -","- C43 H62.5 Cl Li N11.5 O7 -","- C86 H125 Cl2 Li2 N23 O14 -","2","1","","Hong, Kyeong-Im; Kim, Hyeongcheol; Kim, Younghun; Choi, Moon-Gun; Jang, Woo-Dong","Strapped calix[4]pyrrole as a lithium salts selective receptor through separated ion-pair binding.","Chemical communications (Cambridge, England)","2020","56","72","10541","10544","10.1039/d0cc04809g","","","0.7","synchrotron","","0.0605","0.0526","","","0.1503","0.1559","","","","","","1.059","","","","has coordinates,has disorder","257276","2020-10-21","18:00:00",""
"7126982","37.5612","0.0003","37.5612","0.0003","37.5612","0.0003","90","","90","","90","","52993","0.7","175","2","175","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- H129 La9 O240 Si3 W44 -","- La9 O204 Si3 W44.0004 -","- La72 O1632 Si24 W352.003 -","8","0.0416667","","Liu, Jin-Hua; Lin, Li-Dan; Wang, Guo-Qiang; Li, Ling-Yun; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","All-inorganic open frameworks based on gigantic four-shell Ln@W<sub>8</sub>@Ln<sub>8</sub>@(SiW<sub>12</sub>)<sub>6</sub> clusters.","Chemical communications (Cambridge, England)","2020","56","71","10305","10308","10.1039/d0cc04070c","","","0.71073","MoKα","","0.0346","0.0319","","","0.09","0.0916","","","","","","1.099","","","","has coordinates","255978","2020-10-21","18:00:00",""
"7126983","27.6237","0.0008","27.6237","0.0008","27.6237","0.0008","90","","90","","90","","21078.8","1.1","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C30 H12 Eu3 N12 O19 -","- C30 H12 Eu3 N12 O19 -","- C240 H96 Eu24 N96 O152 -","8","0.0416667","","Cao, Wenqian; Xia, Tifeng; Cui, Yuanjing; Yu, Yang; Qian, Guodong","Lanthanide metal-organic frameworks with nitrogen functional sites for the highly selective and sensitive detection of NADPH.","Chemical communications (Cambridge, England)","2020","56","74","10851","10854","10.1039/d0cc04152a","","","0.71073","MoKα","","0.1184","0.0751","","","0.2001","0.2591","","","","","","1.257","","","","has coordinates","257266","2020-10-21","18:00:00",""
"7126984","20.717","0.002","31.9589","0.0011","34.5056","0.0008","90","","90","","90","","22846","2","150.04","0.1","150.04","0.1","","","","","","","","5","F m m m","-F 2 2","69","","","","- C42 H40 N2 O16 Zr3 -","- C42 H40 N2 O16 Zr3 -","- C336 H320 N16 O128 Zr24 -","8","0.25","","Zhang, Xiurong; Fan, Weidong; Fu, Mingyue; Jiang, Weifeng; Lu, Kebin; Wang, Yutong; Sun, Daofeng","Optimizing zirconium metal-organic frameworks through steric tuning for efficient removal of Cr<sub>2</sub>O<sub>7</sub><sup>2</sup>.","Chemical communications (Cambridge, England)","2020","56","72","10513","10516","10.1039/d0cc04007j","","x-ray","1.54184","CuKα","","0.1198","0.0671","","","0.1597","0.1918","","","","","","0.911","","","","has coordinates,has disorder","257270","2020-10-21","18:00:00",""
"7126985","31.452","0.006","5.5892","0.0011","19.232","0.004","90","","90.16","0.03","90","","3380.8","1.2","113","2","113","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C144 H176 O40 -","8","1","","Zhang, Jiayong; Hao, Jiahang; Huang, Zhiqiang; Han, Jie; He, Zhengjie","P<sup>III</sup>-Mediated intramolecular cyclopropanation and metal-free synthesis of cyclopropane-fused heterocycles.","Chemical communications (Cambridge, England)","2020","56","70","10251","10254","10.1039/d0cc04086j","","","0.71073","MoKα","","0.0968","0.0649","","","0.1375","0.1525","","","","","","1.097","","","","has coordinates","255943","2020-10-21","18:00:00",""
"7126986","9.4995","0.0019","9.5604","0.0019","12.684","0.003","97.84","0.03","105.01","0.03","103.9","0.03","1055.5","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O9 -","- C23 H21 N O9 -","- C46 H42 N2 O18 -","2","1","","Zhang, Jiayong; Hao, Jiahang; Huang, Zhiqiang; Han, Jie; He, Zhengjie","P<sup>III</sup>-Mediated intramolecular cyclopropanation and metal-free synthesis of cyclopropane-fused heterocycles.","Chemical communications (Cambridge, England)","2020","56","70","10251","10254","10.1039/d0cc04086j","","","0.71073","MoKα","","0.0705","0.0498","","","0.1302","0.1436","","","","","","0.99","","","","has coordinates","255943","2020-10-21","18:00:00",""
"7126987","8.7393","0.0002","9.8405","0.0003","28.488","0.0006","80.848","0.002","87.645","0.002","69.047","0.002","2258.48","0.1","294","2","294.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 N O6 S -","- C23 H25 N O6 S -","- C92 H100 N4 O24 S4 -","4","2","","Zhang, Jiayong; Hao, Jiahang; Huang, Zhiqiang; Han, Jie; He, Zhengjie","P<sup>III</sup>-Mediated intramolecular cyclopropanation and metal-free synthesis of cyclopropane-fused heterocycles.","Chemical communications (Cambridge, England)","2020","56","70","10251","10254","10.1039/d0cc04086j","","x-ray","1.54184","CuKα","","0.0803","0.0766","","","0.2291","0.2315","","","","","","1.075","","","","has coordinates,has disorder","255943","2020-10-21","18:00:00",""
"7126988","6.0259","0.0012","12.569","0.003","12.93","0.003","115.34","0.03","93.96","0.03","100.21","0.03","859.4","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H N5 O S -","- C17 H21 N O5 S -","- C34 H42 N2 O10 S2 -","2","1","","Zhang, Jiayong; Hao, Jiahang; Huang, Zhiqiang; Han, Jie; He, Zhengjie","P<sup>III</sup>-Mediated intramolecular cyclopropanation and metal-free synthesis of cyclopropane-fused heterocycles.","Chemical communications (Cambridge, England)","2020","56","70","10251","10254","10.1039/d0cc04086j","","","0.71073","MoKα","","0.0834","0.0496","","","0.121","0.1615","","","","","","1.036","","","","has coordinates","255943","2020-10-21","18:00:00",""
"7126989","16.1306","0.001","16.6998","0.0011","18.3422","0.0012","74.727","0.003","77.311","0.003","65.227","0.003","4294","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C164 H124 Cu4 F24 N12 P12 Pd2 -","- C164 H124 Cu4 F24 N12 P12 Pd2 -","- C164 H124 Cu4 F24 N12 P12 Pd2 -","1","0.5","","Moutier, F.; Khalil, A. M.; Baudron, S. A.; Lescop, C.","Gleaned snapshots on the road to coordination polymers: heterometallic architectures based on Cu(I) metallaclips and 2,2'-bis-dipyrrin metalloligands.","Chemical communications (Cambridge, England)","2020","56","72","10501","10504","10.1039/d0cc04862c","","","0.71073","MoKα","","0.1674","0.0835","","","0.182","0.2169","","","","","","1.044","","","","has coordinates","257271","2020-10-21","18:00:00",""
"7126990","18.207","0.002","26.995","0.004","28.766","0.004","73.564","0.004","86.988","0.004","72.007","0.004","12888","3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C228 H160 Cl0 Cu4 F24 N24 Ni4 P12 -","- C228 H160 Cu4 F24 N24 Ni4 P12 -","- C456 H320 Cu8 F48 N48 Ni8 P24 -","2","1","","Moutier, F.; Khalil, A. M.; Baudron, S. A.; Lescop, C.","Gleaned snapshots on the road to coordination polymers: heterometallic architectures based on Cu(I) metallaclips and 2,2'-bis-dipyrrin metalloligands.","Chemical communications (Cambridge, England)","2020","56","72","10501","10504","10.1039/d0cc04862c","","","0.71073","MoKα","","0.1331","0.0946","","","0.2674","0.2957","","","","","","1.008","","","","has coordinates","257271","2020-10-21","18:00:00",""
"7126991","16.697","0.003","18.05","0.003","24.093","0.004","94.584","0.006","96.139","0.005","112.996","0.005","6587","2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C112 H76 Cl0 Cu2 F0 N14 Ni2 P4 -","- C112 H76 Cu2 N14 Ni2 P4 -","- C224 H152 Cu4 N28 Ni4 P8 -","2","1","","Moutier, F.; Khalil, A. M.; Baudron, S. A.; Lescop, C.","Gleaned snapshots on the road to coordination polymers: heterometallic architectures based on Cu(I) metallaclips and 2,2'-bis-dipyrrin metalloligands.","Chemical communications (Cambridge, England)","2020","56","72","10501","10504","10.1039/d0cc04862c","","","0.71069","MoKα","","0.1086","0.0782","","","0.2169","0.2382","","","","","","1.038","","","","has coordinates","257271","2020-10-21","18:00:00",""
"7126992","9.9898","0.0005","12.0743","0.0006","12.2286","0.0005","117.238","0.002","103.019","0.002","98.413","0.002","1223.64","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H18 N6 Pd -","- C32 H18 N6 Pd -","- C64 H36 N12 Pd2 -","2","1","","Moutier, F.; Khalil, A. M.; Baudron, S. A.; Lescop, C.","Gleaned snapshots on the road to coordination polymers: heterometallic architectures based on Cu(I) metallaclips and 2,2'-bis-dipyrrin metalloligands.","Chemical communications (Cambridge, England)","2020","56","72","10501","10504","10.1039/d0cc04862c","","","0.71073","MoKα","","0.0323","0.0285","","","0.0667","0.0692","","","","","","1.031","","","","has coordinates","257271","2020-10-21","18:00:00",""
"7126993","8.5125","0.0001","16.338","0.0001","17.8809","0.0001","90","","90","","90","","2486.83","0.04","294.15","","294.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O6 -","- C28 H30 N2 O6 -","- C112 H120 N8 O24 -","4","1","","Cai, Liu; Liu, Xiangshuai; Wang, Jie; Chen, Li; Li, Xin; Cheng, Jin-Pei","Enantioselective and regioselective aza-Friedel-Crafts reaction of electron-rich phenols with isatin-derived ketimines.","Chemical communications (Cambridge, England)","2020","56","71","10361","10364","10.1039/d0cc04966b","","x-ray","1.54184","CuKα","","0.0277","0.0271","","","0.0746","0.0751","","","","","","1.058","","","","has coordinates","255976","2020-10-21","18:00:00",""
"7126994","15.546","0.004","15.7344","0.0018","16.911","0.002","99.814","0.01","116.882","0.013","96.323","0.013","3552.1","1.2","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H31 F12 N8 O P2 Ru -","- C32 H31 F12 N8 O P2 Ru -","- C128 H124 F48 N32 O4 P8 Ru4 -","4","2","","Park, Sungho V.; Fry, Charles G.; Bill, Eckhard; Berry, John F.","A metastable Ru<sup>III</sup> azido complex with metallo-Staudinger reactivity.","Chemical communications (Cambridge, England)","2020","56","73","10738","10741","10.1039/d0cc04426a","","x-ray","0.71073","MoKα","","0.1368","0.0667","","","0.1234","0.1499","","","","","","1.043","","","","has coordinates,has disorder","257232","2020-10-21","18:00:00",""
"7126995","12.725","0.004","12.889","0.004","15.603","0.005","113.141","0.012","91.774","0.015","117.69","0.01","2010.7","1.2","100","2","99.98","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H43 F12 N5 O3 P2 Ru -","- C38 H43 F12 N5 O3 P2 Ru -","- C76 H86 F24 N10 O6 P4 Ru2 -","2","1","","Park, Sungho V.; Fry, Charles G.; Bill, Eckhard; Berry, John F.","A metastable Ru<sup>III</sup> azido complex with metallo-Staudinger reactivity.","Chemical communications (Cambridge, England)","2020","56","73","10738","10741","10.1039/d0cc04426a","","x-ray","0.71073","MoKα","","0.0436","0.0333","","","0.0896","0.0921","","","","","","1.127","","","","has coordinates,has disorder","257232","2020-10-21","18:00:00",""
"7126996","23.348","0.007","13.355","0.004","12.292","0.004","90","","90","","90","","3833","2","100","2","100","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C35 H37 Cl6.39 N5 O2 Ru Sb -","- C35 H37 Cl6.3902 N5 O2 Ru Sb -","- C140 H148 Cl25.5608 N20 O8 Ru4 Sb4 -","4","0.5","","Park, Sungho V.; Fry, Charles G.; Bill, Eckhard; Berry, John F.","A metastable Ru<sup>III</sup> azido complex with metallo-Staudinger reactivity.","Chemical communications (Cambridge, England)","2020","56","73","10738","10741","10.1039/d0cc04426a","","x-ray","0.71073","MoKα","","0.048","0.041","","","0.0919","0.0955","","","","","","1.159","","","","has coordinates,has disorder","257232","2020-10-21","18:00:00",""
"7126997","11.39","0.004","16.353","0.005","20.162","0.006","99.44","0.012","94.919","0.012","109.589","0.019","3450","2","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C30.5 H28 F4.65 N5 O4.18 P2 Ru -","- C30.5015 H28.003 F4.6515 N5 O4.1745 P1.99975 Ru -","- C122.006 H112.012 F18.606 N20 O16.698 P7.999 Ru4 -","4","2","","Park, Sungho V.; Fry, Charles G.; Bill, Eckhard; Berry, John F.","A metastable Ru<sup>III</sup> azido complex with metallo-Staudinger reactivity.","Chemical communications (Cambridge, England)","2020","56","73","10738","10741","10.1039/d0cc04426a","","x-ray","0.71073","MoKα","","0.1633","0.0882","","","0.2513","0.3014","","","","","","1.043","","","","has coordinates,has disorder","257232","2020-10-21","18:00:00",""
"7126998","10.366","0.003","8.964","0.003","17.126","0.006","90","","90","","90","","1591.4","0.9","100","2","99.99","","","","","","","","","8","P m c 21","P 2c -2","26","","","","- C32 H31 Cl F6 N5 O P Ru -","- C32 H31 Cl F6 N5 O P Ru -","- C64 H62 Cl2 F12 N10 O2 P2 Ru2 -","2","0.5","","Park, Sungho V.; Fry, Charles G.; Bill, Eckhard; Berry, John F.","A metastable Ru<sup>III</sup> azido complex with metallo-Staudinger reactivity.","Chemical communications (Cambridge, England)","2020","56","73","10738","10741","10.1039/d0cc04426a","","x-ray","0.71073","MoKα","","0.0252","0.0237","","","0.0575","0.0584","","","","","","1.064","","","","has coordinates,has disorder","257232","2020-10-21","18:00:00",""
"7126999","17.0775","0.0007","5.63423","0.0001","16.986","0.0004","90","","114.885","0.003","90","","1482.62","0.08","293","","293","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C32 H28 O12 Zr -","- C32 H28 O12 Zr -","- C64 H56 O24 Zr2 -","2","1","","Crosland, James M.; Corlett, Emily K.; Scapens, Dave; Guillou, Nathalie; Brown, Steven P.; Walton, Richard I.","Isolated zirconium centres captured from aqueous solution: the structure of zirconium mandelate revealed from NMR crystallography.","Chemical communications (Cambridge, England)","2020","56","70","10159","10162","10.1039/d0cc03647a","powder diffraction","","0.82445","X-raysynchrotron","","","","","","","","","0.017","16.95","","","","","","","has coordinates","255942","2020-10-21","18:00:00",""
"7127000","6.8868","0.0008","14.8106","0.0017","15.0914","0.0017","90","","90","","90","","1539.3","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N4 S2 -","- C14 H18 N4 S2 -","- C56 H72 N16 S8 -","4","1","","Bhunia, Supriya; Dolai, Anirban; Samanta, Subhas","Robust bi-directional photoswitching of thiomethyl substituted arylazopyrazoles under visible light.","Chemical communications (Cambridge, England)","2020","56","70","10247","10250","10.1039/d0cc04098c","","","0.71073","MoKα","","0.0371","0.0339","","","0.109","0.1148","","","","","","1.001","","","","has coordinates","255945","2020-10-21","18:00:00",""
"7127001","6.9549","0.0012","8.8714","0.0013","11.149","0.002","80.68","0.003","89.072","0.003","84.658","0.016","675.9","0.2","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H16 N4 S -","- C13 H16 N4 S -","- C26 H32 N8 S2 -","2","1","","Bhunia, Supriya; Dolai, Anirban; Samanta, Subhas","Robust bi-directional photoswitching of thiomethyl substituted arylazopyrazoles under visible light.","Chemical communications (Cambridge, England)","2020","56","70","10247","10250","10.1039/d0cc04098c","","","0.71073","MoKα","","0.0811","0.0726","","","0.2084","0.2251","","","","","","1.065","","","","has coordinates","255945","2020-10-21","18:00:00",""
"7127002","7.793","0.0016","9.718","0.0019","10.297","0.002","99.54","0.03","107.52","0.03","109.15","0.03","671.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 F2 N3 O2 -","- C15 H11 F2 N3 O2 -","- C30 H22 F4 N6 O4 -","2","1","","Zhang, Dong; Fang, Zheng; Cai, Jinlin; Liu, Chengkou; He, Wei; Duan, Jindian; Qin, Ning; Yang, Zhao; Guo, Kai","The copper(ii)-catalyzed and oxidant-promoted regioselective C-2 difluoromethylation of indoles and pyrroles.","Chemical communications (Cambridge, England)","2020","56","58","8119","8122","10.1039/d0cc03345f","","","0.71073","MoKα","","0.0754","0.0571","","","0.14","0.1569","","","","","","1.009","","","","has coordinates","254788","2020-10-21","18:00:00",""
"7127003","5.8051","0.0004","17.7416","0.0011","22.026","0.0014","90","","90.256","0.002","90","","2268.5","0.3","110","2","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 B2 Co F8 N6 -","- C12 H18 B2 Co F8 N6 -","- C48 H72 B8 Co4 F32 N24 -","4","1","","Saber, Mohamed R.; Singh, Mukesh K.; Dunbar, Kim R.","Geometrical control of the magnetic anisotropy in six coordinate cobalt complexes.","Chemical communications (Cambridge, England)","2020","56","60","8492","8495","10.1039/d0cc03238g","","x-ray","0.71073","MoKα","","0.1084","0.0834","","","0.1559","0.1646","","","","","","1.25","","","","has coordinates","254789","2020-10-21","18:00:00",""
"7127004","23.7142","0.001","24.8126","0.0005","26.7983","0.001","90","","108.122","0.004","90","","14986.2","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H70 Cl7 N8 O6 -","- C69 H56 N8 O6 -","- C552 H448 N64 O48 -","8","2","","Wong, Kevin Kei Gwan; Hoyas Pérez, Nadia; White, Andrew J. P.; Lewis, James E. M.","Self-assembly of a porous metallo-[5]rotaxane.","Chemical communications (Cambridge, England)","2020","56","72","10453","10456","10.1039/d0cc04780e","","","0.71073","MoKα","","0.1595","0.0728","","","0.1861","0.2263","","","","","","1.033","","","","has coordinates,has disorder","257272","2020-10-21","18:00:00",""
"7127005","10.2036","0.0001","14.4428","0.0001","19.7614","0.0001","79.654","0.001","84.51","0.001","75.81","0.001","2773.37","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H60 D12 N8 O15 -","- C56 H60 D12 N8 O15 -","- C112 H120 D24 N16 O30 -","2","1","","Butera, Roberto; Shrinidhi, Annadka; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Fourfold symmetric MCR's <i>via</i> the tetraisocyanide 1,3-diisocyano-2,2-bis(isocyanomethyl)propane.","Chemical communications (Cambridge, England)","2020","56","73","10662","10665","10.1039/d0cc04522e","","x-ray","1.54184","CuKα","","0.0506","0.046","","","0.1194","0.127","","","","","","1.076","","","","has coordinates","257235","2020-10-21","18:00:00",""
"7127006","8.3584","0.0006","8.3584","0.0006","6.7005","0.0009","90","","90","","90","","468.12","0.08","130","2","130","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C9 H8 N4 -","- C9 H8 N4 -","- C18 H16 N8 -","2","0.25","","Butera, Roberto; Shrinidhi, Annadka; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Fourfold symmetric MCR's <i>via</i> the tetraisocyanide 1,3-diisocyano-2,2-bis(isocyanomethyl)propane.","Chemical communications (Cambridge, England)","2020","56","73","10662","10665","10.1039/d0cc04522e","","x-ray","1.54184","CuKα","","0.0678","0.0665","","","0.1693","0.1706","","","","","","1.176","","","","has coordinates","257235","2020-10-21","18:00:00",""
"7127007","15.6151","0.0001","15.6151","0.0001","33.2923","0.0003","90","","90","","90","","8117.71","0.1","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C73 H96 F4 N8 O8 -","- C73 H96 F4 N8 O8 -","- C292 H384 F16 N32 O32 -","4","0.25","","Butera, Roberto; Shrinidhi, Annadka; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Fourfold symmetric MCR's <i>via</i> the tetraisocyanide 1,3-diisocyano-2,2-bis(isocyanomethyl)propane.","Chemical communications (Cambridge, England)","2020","56","73","10662","10665","10.1039/d0cc04522e","","x-ray","1.54184","CuKα","","0.0654","0.0636","","","0.1691","0.1703","","","","","","1.098","","","","has coordinates","257235","2020-10-21","18:00:00",""
"7127008","12.9054","0.0014","13.5536","0.0014","17.432","0.003","98.83","0.01","110.41","0.01","92.274","0.009","2809.5","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H69 Fe Ge2 N4 P5 -","- C47 H69 Fe Ge2 N4 P5 -","- C94 H138 Fe2 Ge4 N8 P10 -","2","1","","Yadav, Ravi; Goswami, Bhupendra; Simler, Thomas; Schoo, Christoph; Reichl, Stephan; Scheer, Manfred; Roesky, Peter W.","A bis(germylene) functionalized metal-coordinated polyphosphide and its isomerization.","Chemical communications (Cambridge, England)","2020","56","70","10207","10210","10.1039/d0cc03920a","","","0.71073","MoKα","","0.1253","0.0679","","","0.1597","0.1873","","","","","","1.03","","","","has coordinates,has disorder","255948","2020-10-21","18:00:00",""
"7127009","12.1225","0.001","14.174","0.002","16.7654","0.0017","84.679","0.01","79.665","0.007","83.291","0.01","2807","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H77 Fe Ge2 N4 P5 -","- C54 H77 Fe Ge2 N4 P5 -","- C108 H154 Fe2 Ge4 N8 P10 -","2","1","","Yadav, Ravi; Goswami, Bhupendra; Simler, Thomas; Schoo, Christoph; Reichl, Stephan; Scheer, Manfred; Roesky, Peter W.","A bis(germylene) functionalized metal-coordinated polyphosphide and its isomerization.","Chemical communications (Cambridge, England)","2020","56","70","10207","10210","10.1039/d0cc03920a","","","0.71073","MoKα","","0.0834","0.0396","","","0.0748","0.0854","","","","","","1.016","","","","has coordinates,has disorder","255948","2020-10-21","18:00:00",""
"7127010","11.8994","0.0007","16.0639","0.0009","24.3083","0.0014","90","","104.102","0.002","90","","4506.5","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","17330; 1, LSnFeN2","","","- C43 H70 Fe N6 O P3 Sn -","- C43 H70 Fe N6 O P3 Sn -","- C172 H280 Fe4 N24 O4 P12 Sn4 -","4","1","","Dorantes, Michael J.; Moore, James T.; Bill, Eckhard; Mienert, Bernd; Lu, Connie C.","Bimetallic iron-tin catalyst for N<sub>2</sub> to NH<sub>3</sub> and a silyldiazenido model intermediate.","Chemical communications (Cambridge, England)","2020","56","75","11030","11033","10.1039/d0cc04563b","","","0.71073","MoKα","","0.0346","0.0257","","","0.0538","0.0583","","","","","","1.003","","","","has coordinates","257260","2020-10-21","18:00:00",""
"7127011","13.6945","0.0008","13.6945","0.0008","18.3276","0.0011","90","","90","","120","","2976.7","0.3","123","2","123","2","","","","","","","","7","P 63","P 6c","173","17092; (THF)3LiSnL","","","- C55 H92 Li N4 O4 P3 Sn -","- C54.9996 H91.9992 Li N4 O3.9999 P3 Sn -","- C109.999 H183.998 Li2 N8 O7.9998 P6 Sn2 -","2","0.333333","","Dorantes, Michael J.; Moore, James T.; Bill, Eckhard; Mienert, Bernd; Lu, Connie C.","Bimetallic iron-tin catalyst for N<sub>2</sub> to NH<sub>3</sub> and a silyldiazenido model intermediate.","Chemical communications (Cambridge, England)","2020","56","75","11030","11033","10.1039/d0cc04563b","","","0.71073","MoKα","","0.082","0.0537","","","0.1196","0.1326","","","","","","1.091","","","","has coordinates,has disorder","257260","2020-10-21","18:00:00",""
"7127012","19.5107","0.0009","10.8907","0.0006","21.8866","0.001","90","","90","","90","","4650.6","0.4","100","2","100","2","","","","","","","","8","P c a 21","P 2c -2ac","29","19031; 2, K[LSnFeN2]","","","- C43 H68 Fe K N6 O P3 Sn -","- C43 H68 Fe K N6 O P3 Sn -","- C172 H272 Fe4 K4 N24 O4 P12 Sn4 -","4","1","","Dorantes, Michael J.; Moore, James T.; Bill, Eckhard; Mienert, Bernd; Lu, Connie C.","Bimetallic iron-tin catalyst for N<sub>2</sub> to NH<sub>3</sub> and a silyldiazenido model intermediate.","Chemical communications (Cambridge, England)","2020","56","75","11030","11033","10.1039/d0cc04563b","","","0.71073","MoKα","","0.0638","0.0469","","","0.0705","0.0746","","","","","","1.045","","","","has coordinates","257260","2020-10-21","18:00:00",""
"7127013","11.4678","0.0013","21.538","0.002","19.703","0.002","90","","96.834","0.004","90","","4831.9","0.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","LSnFeNNSiMe3(3),18198","","","- C88 H148 Fe2 N12 O P6 Si2 Sn2 -","- C88 H148 Fe2 N12 O P6 Si2 Sn2 -","- C176 H296 Fe4 N24 O2 P12 Si4 Sn4 -","2","0.5","","Dorantes, Michael J.; Moore, James T.; Bill, Eckhard; Mienert, Bernd; Lu, Connie C.","Bimetallic iron-tin catalyst for N<sub>2</sub> to NH<sub>3</sub> and a silyldiazenido model intermediate.","Chemical communications (Cambridge, England)","2020","56","75","11030","11033","10.1039/d0cc04563b","","","0.71073","MoKα","","0.0697","0.0442","","","0.074","0.0812","","","","","","1.055","","","","has coordinates,has disorder","257260","2020-10-21","18:00:00",""
"7127014","4.7107","0.0012","10.021","0.002","27.643","0.006","90","","94.105","0.011","90","","1301.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 O S -","- C16 H14 O S -","- C64 H56 O4 S4 -","4","1","","Sangeetha, Subramani; Sekar, Govindasamy","Copper-catalyzed double C-S bond formation for the synthesis of 2-acyldihydrobenzo[<i>b</i>]thiophenes and 2-acylbenzo[<i>b</i>]thiophenes.","Chemical communications (Cambridge, England)","2020","56","74","10906","10909","10.1039/d0cc04647g","","","0.71073","MoKα","","0.1021","0.0694","","","0.1849","0.2109","","","","","","1.094","","","","has coordinates","257268","2020-10-21","18:00:00",""
"7127015","13.9604","0.0009","5.9708","0.0003","16.2069","0.0009","90","","113.622","0.0018","90","","1237.73","0.12","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 O2 S2 -","- C14 H10 O2 S2 -","- C56 H40 O8 S8 -","4","1","","Sangeetha, Subramani; Sekar, Govindasamy","Copper-catalyzed double C-S bond formation for the synthesis of 2-acyldihydrobenzo[<i>b</i>]thiophenes and 2-acylbenzo[<i>b</i>]thiophenes.","Chemical communications (Cambridge, England)","2020","56","74","10906","10909","10.1039/d0cc04647g","","","0.71073","MoKα","","0.0564","0.0462","","","0.1248","0.1328","","","","","","1.148","","","","has coordinates","257268","2020-10-21","18:00:00",""
"7127016","16.0517","0.0003","12.69","0.0002","11.0788","0.0002","90","","90","","90","","2256.71","0.07","293","2","293","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C7 H13 Ni1.5 S4 -","- C7 H13 Ni1.5 S4 -","- C56 H104 Ni12 S32 -","8","1","","Pieri, Cyril; Bhattacharjee, Anirban; Barrozo, Alexandre; Faure, Bruno; Giorgi, Michel; Fize, Jennifer; Réglier, Marius; Field, Martin; Orio, Maylis; Artero, Vincent; Hardré, Renaud","Hydrogen evolution reaction mediated by an all-sulfur trinuclear nickel complex.","Chemical communications (Cambridge, England)","2020","56","75","11106","11109","10.1039/d0cc04174b","","x-ray","0.71073","MoKα","","0.0371","0.0262","","","0.0483","0.0531","","","","","","1.049","","","","has coordinates","257253","2020-10-21","18:00:00",""
"7127017","10.4684","0.0019","12.28","0.002","45.879","0.008","90","","90","","90","","5897.8","1.8","262","2","262","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H28 Cl N3 O5 -","- C32 H28 Cl N3 O6 -","- C256 H224 Cl8 N24 O48 -","8","2","","Mei, Ming-Shun; Wang, Yu-Hui; Hu, Qing; Li, Qing-Hua; Shi, Da-Yu; Gao, Dingding; Ge, Guangbo; Lin, Guo-Qiang; Tian, Ping","Enantioselective [3+2] annulation of isatin-derived MBH-carbonates and 3-nitroindoles enabled by a bifunctional DMAP-thiourea.","Chemical communications (Cambridge, England)","2020","56","73","10718","10721","10.1039/d0cc04462h","","","1.54178","cukα","","0.0459","0.0427","","","0.1105","0.1143","","","","","","1.023","","","","has coordinates","296876","2024-12-16","17:34:43",""
"7127018","10.4627","0.0013","10.6763","0.0014","29.015","0.004","90","","90","","90","","3241.1","0.7","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H29 Br N4 O4 S -","- C36 H29 Br N4 O4 S -","- C144 H116 Br4 N16 O16 S4 -","4","1","","Wei, Shiqiang; Bao, Xiaoze; Wang, Wenyao; Nawaz, Shah; Dai, Qimin; Qu, Jingping; Wang, Baomin","Enantioselective construction of dispirotriheterocycles featuring a 4-aminopyrazolone motif through a cascade Michael/cyclization process.","Chemical communications (Cambridge, England)","2020","56","73","10690","10693","10.1039/d0cc04215c","","","0.71073","MoKα","","0.0425","0.0328","","","0.0689","0.072","","","","","","0.829","","","","has coordinates","257234","2020-10-21","18:00:00",""
"7127019","7.7291","0.0003","9.3482","0.0004","10.1754","0.0004","90","","97.481","0.004","90","","728.95","0.05","143","2","143","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H5 F6 N2 Sb -","- C2 H5 F6 N2 Sb -","- C8 H20 F24 N8 Sb4 -","4","1","","Cantin, Thomas; Morgenstern, Yvonne; Mingot, Agnès; Kornath, Andreas; Thibaudeau, Sébastien","Evidence and exploitation of dicationic ammonium-nitrilium superelectrophiles: direct synthesis of unsaturated piperidinones.","Chemical communications (Cambridge, England)","2020","56","75","11110","11113","10.1039/d0cc02910f","","","0.71073","MoKα","","0.0379","0.0317","","","0.0637","0.0663","","","","","","1.178","","","","has coordinates","257262","2020-10-21","18:00:00",""
"7127020","14.8174","0.0008","10.5692","0.0008","15.649","0.0009","90","","90","","90","","2450.8","0.3","143","2","143","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H7 F13 N2 Sb2 -","- C2 H7 F13 N2 Sb2 -","- C16 H56 F104 N16 Sb16 -","8","1","","Cantin, Thomas; Morgenstern, Yvonne; Mingot, Agnès; Kornath, Andreas; Thibaudeau, Sébastien","Evidence and exploitation of dicationic ammonium-nitrilium superelectrophiles: direct synthesis of unsaturated piperidinones.","Chemical communications (Cambridge, England)","2020","56","75","11110","11113","10.1039/d0cc02910f","","","0.71073","MoKα","","0.0397","0.0298","","","0.0657","0.0701","","","","","","1.016","","","","has coordinates","257262","2020-10-21","18:00:00",""
"7127021","14.5681","0.0004","14.6511","0.0005","19.9842","0.0006","83.154","0.003","84.459","0.002","61.176","0.003","3706.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Sc4C2@C80/NiOEP/CS2","","","- C119 H44 N4 Ni S2 Sc4 -","- C119 H44 N4 Ni S2 Sc4.001 -","- C238 H88 N8 Ni2 S4 Sc8.002 -","2","1","","Nie, Mingzhe; Meng, Haibing; Zhao, Chong; Lu, Yuxi; Zhang, Jie; Feng, Lai; Wang, Chunru; Wang, Taishan","Crystallographic evidence and spin activation for the Russian-doll-type metallofullerene Sc<sub>4</sub>C<sub>2</sub>@C<sub>80</sub>.","Chemical communications (Cambridge, England)","2020","56","74","10879","10882","10.1039/d0cc04496b","","","0.71073","MoKα","","0.13","0.1158","","","0.3217","0.3366","","","","","","1.041","","","","has coordinates,has disorder","257265","2020-10-21","18:00:00",""
"7127022","6.5732","0.0004","12.3258","0.0006","22.4447","0.0013","105.598","0.002","93.439","0.002","93.704","0.002","1742.17","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 Br2 O4 -","- C18 H14 Br2 O4 -","- C72 H56 Br8 O16 -","4","2","","Li, Mingrui; Sun, Yiming; Xie, Yuxing; Yu, Yang; Huang, Fei; Huang, He","Copper-catalyzed carbene insertion and ester migration for the synthesis of polysubstituted pyrroles.","Chemical communications (Cambridge, England)","2020","56","75","11050","11053","10.1039/d0cc04157b","","","0.71073","MoKα","","0.0594","0.0376","","","0.0865","0.0969","","","","","","1.02","","","","has coordinates","257261","2020-10-21","18:00:00",""
"7127023","7.8574","0.0003","10.1476","0.0003","13.2472","0.0004","73.398","0.001","88.834","0.001","80.053","0.001","996.53","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N O2 -","- C25 H21 N O2 -","- C50 H42 N2 O4 -","2","1","","Li, Mingrui; Sun, Yiming; Xie, Yuxing; Yu, Yang; Huang, Fei; Huang, He","Copper-catalyzed carbene insertion and ester migration for the synthesis of polysubstituted pyrroles.","Chemical communications (Cambridge, England)","2020","56","75","11050","11053","10.1039/d0cc04157b","","","0.71073","MoKα","","0.0526","0.0426","","","0.106","0.1151","","","","","","1.005","","","","has coordinates","257261","2020-10-21","18:00:00",""
"7127024","45.648","0.005","14.2377","0.0016","25.141","0.003","90","","93.2134","0.0016","90","","16314","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49 H99 K3 N3 O18 Pb11 Ru -","- C49 H99.002 K3 N3 O18 Pb11 Ru -","- C392 H792.016 K24 N24 O144 Pb88 Ru8 -","8","1","","Li, Ai-Min; Wang, Yi; Zavalij, Peter Y.; Chen, Fu; Muñoz-Castro, Alvaro; Eichhorn, Bryan W.","[Cp*RuPb<sub>11</sub>]<sup>3-</sup> and [Cu@Cp*RuPb<sub>11</sub>]<sup>2-</sup>: centered and non-centered transition-metal substituted zintl icosahedra.","Chemical communications (Cambridge, England)","2020","56","74","10859","10862","10.1039/d0cc03656k","","","0.71073","MoKα","","0.0829","0.0433","","","0.098","0.1161","","","","","","0.946","","","","has coordinates,has disorder","257269","2020-10-21","18:00:00",""
"7127025","13.18","0.0009","13.185","0.0009","20.7259","0.0014","92.8432","0.0011","104.274","0.0011","102.191","0.001","3392.1","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H150 Cu2 K4 O24 Pb22 Ru2 -","- C89 H150 Cu2 K4 O24 Pb22 Ru2 -","- C89 H150 Cu2 K4 O24 Pb22 Ru2 -","1","0.5","","Li, Ai-Min; Wang, Yi; Zavalij, Peter Y.; Chen, Fu; Muñoz-Castro, Alvaro; Eichhorn, Bryan W.","[Cp*RuPb<sub>11</sub>]<sup>3-</sup> and [Cu@Cp*RuPb<sub>11</sub>]<sup>2-</sup>: centered and non-centered transition-metal substituted zintl icosahedra.","Chemical communications (Cambridge, England)","2020","56","74","10859","10862","10.1039/d0cc03656k","","","0.71073","MoKα","","0.083","0.0346","","","0.0517","0.0552","","","","","","0.956","","","","has coordinates,has disorder","257269","2020-10-21","18:00:00",""
"7127026","9.9499","0.0004","9.6309","0.0004","27.2708","0.0011","90","","93.901","0.007","90","","2607.21","0.19","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N2 O6 S2 -","- C30 H26 N2 O6 S2 -","- C120 H104 N8 O24 S8 -","4","1","","Takeda, Takashi; Akutagawa, Tomoyuki","Conformation change significantly affected the optical and electronic properties of arylsulfonamide-substituted anthraquinones.","Chemical communications (Cambridge, England)","2020","56","72","10564","10567","10.1039/d0cc04611f","","","1.54187","CuKα","","0.0797","0.0615","","","0.1793","0.2112","","","","","","1.058","","","","has coordinates","257275","2020-10-21","18:00:00",""
"7127027","52.9762","0.0019","15.1879","0.0005","13.2","0.0005","90","","102.745","0.007","90","","10359","0.7","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Cl6 N2 O6 S2 -","- C32 H28 Cl6 N2 O6 S2 -","- C384 H336 Cl72 N24 O72 S24 -","12","1.5","","Takeda, Takashi; Akutagawa, Tomoyuki","Conformation change significantly affected the optical and electronic properties of arylsulfonamide-substituted anthraquinones.","Chemical communications (Cambridge, England)","2020","56","72","10564","10567","10.1039/d0cc04611f","","","1.54187","CuKα","","0.0677","0.0541","","","0.1456","0.1561","","","","","","1.069","","","","has coordinates","257275","2020-10-21","18:00:00",""
"7127028","14.697","0.008","5.79","0.003","14.578","0.008","90","","104.759","0.019","90","","1199.6","1.1","281","2","281","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F -","- C16 H15 F -","- C64 H60 F4 -","4","1","","Gu, Yichao; Sun, Xueliang; Wan, Bin; Lu, Zhuoer; Zhang, Yanghui","C(sp<sup>3</sup>)-H activation-enabled cross-coupling of two aryl halides: an approach to 9,10-dihydrophenanthrenes.","Chemical communications (Cambridge, England)","2020","56","74","10942","10945","10.1039/d0cc04602g","","","0.71073","MoKα","","0.0756","0.057","","","0.1493","0.1688","","","","","","1.035","","","","has coordinates","257267","2020-10-21","18:00:00",""
"7127029","10.8043","0.001","20.7436","0.0017","12.2725","0.0011","90","","101.419","0.009","90","","2696.1","0.4","103.15","","103.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Br1.08 Cl4.92 Fe2 N2 O12 -","- C42 H56 Br1.08 Cl4.92 Fe2 N2 O12 -","- C84 H112 Br2.16 Cl9.84 Fe4 N4 O24 -","2","0.5","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.1359","0.0796","","","0.1517","0.1734","","","","","","1.117","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127030","20.2837","0.0008","21.7936","0.0007","14.4042","0.0006","90","","108.042","0.004","90","","6054.4","0.4","103.15","","103.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Br1.08 Cl4.92 Fe2 N2 O15 -","- C48 H68 Br1.08 Cl4.92 Fe2 N2 O15 -","- C192 H272 Br4.32 Cl19.68 Fe8 N8 O60 -","4","1","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.1758","0.0815","","","0.1769","0.2207","","","","","","1.014","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127031","10.8837","0.001","20.7386","0.0013","12.3417","0.0011","90","","101.41","0.009","90","","2730.6","0.4","103.15","","103.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Br2.12 Cl3.88 Fe2 N2 O12 -","- C42 H56 Br2.1178 Cl3.8822 Fe2 N2 O12 -","- C84 H112 Br4.2356 Cl7.7644 Fe4 N4 O24 -","2","0.5","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.1544","0.101","","","0.2087","0.2303","","","","","","1.169","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127032","10.9142","0.0005","20.5604","0.0009","12.3173","0.0005","90","","101.617","0.004","90","","2707.4","0.2","103.15","","103.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Br3.88 Cl2.12 Fe2 N2 O12 -","- C42 H56 Br3.88 Cl2.12 Fe2 N2 O12 -","- C84 H112 Br7.76 Cl4.24 Fe4 N4 O24 -","2","0.5","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.0964","0.0548","","","0.0929","0.1056","","","","","","1.071","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127033","20.3278","0.0004","21.7798","0.0003","14.4219","0.0003","90","","107.935","0.002","90","","6074.8","0.2","103.15","","103.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Br2.12 Cl3.88 Fe2 N2 O15 -","- C48 H68 Br2.12 Cl3.88 Fe2 N2 O15 -","- C192 H272 Br8.48 Cl15.52 Fe8 N8 O60 -","4","1","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.0535","0.0383","","","0.099","0.1071","","","","","","1.054","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127034","20.4745","0.0006","21.8256","0.0005","14.444","0.0004","90","","107.895","0.003","90","","6142.3","0.3","103.15","","103.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Br3.91 Cl2.09 Fe2 N2 O15 -","- C48 H68 Br3.9102 Cl2.0898 Fe2 N2 O15 -","- C192 H272 Br15.6408 Cl8.3592 Fe8 N8 O60 -","4","1","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.0731","0.0484","","","0.1164","0.1273","","","","","","1.057","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127035","10.7693","0.0007","20.6834","0.0012","12.2409","0.0008","90","","101.308","0.006","90","","2673.7","0.3","103","2","103.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Br0.48 Cl5.52 Fe2 N2 O12 -","- C42 H56 Br0.478 Cl5.522 Fe2 N2 O12 -","- C84 H112 Br0.956 Cl11.044 Fe4 N4 O24 -","2","0.5","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.215","0.1294","","","0.2567","0.3004","","","","","","1.036","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127036","20.2076","0.0007","21.8087","0.0007","14.3967","0.0005","90","","108.08","0.004","90","","6031.4","0.4","103.15","","103.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Br0.6 Cl5.4 Fe2 N2 O15 -","- C48 H68 Br0.6 Cl5.4 Fe2 N2 O15 -","- C192 H272 Br2.4 Cl21.6 Fe8 N8 O60 -","4","1","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.1009","0.0519","","","0.1166","0.1399","","","","","","1.019","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127037","10.7147","0.0003","20.7638","0.0007","12.2126","0.0004","90","","101.108","0.003","90","","2666.13","0.15","103.15","","103.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl5.66 F0.34 Fe2 N2 O12 -","- C42 H56 Cl5.66 F0.34 Fe2 N2 O12 -","- C84 H112 Cl11.32 F0.68 Fe4 N4 O24 -","2","0.5","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.0638","0.0484","","","0.1068","0.1144","","","","","","1.103","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127038","20.1787","0.0005","21.8982","0.0006","14.4","0.0003","90","","108","0.003","90","","6051.6","0.3","103.15","","103.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Cl5.66 F0.34 Fe2 N2 O15 -","- C48 H68 Cl5.66 F0.34 Fe2 N2 O15 -","- C192 H272 Cl22.64 F1.36 Fe8 N8 O60 -","4","1","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.041","0.0359","","","0.1028","0.1066","","","","","","1.032","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127039","10.5632","0.0006","21.1362","0.001","12.2412","0.0008","90","","100.998","0.006","90","","2682.8","0.3","103.15","","103.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl4.55 F1.45 Fe2 N2 O12 -","- C42 H56 Cl4.5496 F1.4504 Fe2 N2 O12 -","- C84 H112 Cl9.0992 F2.9008 Fe4 N4 O24 -","2","0.5","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.083","0.0588","","","0.1467","0.1597","","","","","","1.088","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127040","10.4272","0.0005","21.1795","0.0009","12.1426","0.0004","90","","101.168","0.004","90","","2630.83","0.19","103.15","","103.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl3.49 F2.51 Fe2 N2 O12 -","- C42 H56 Cl3.4904 F2.5096 Fe2 N2 O12 -","- C84 H112 Cl6.9808 F5.0192 Fe4 N4 O24 -","2","0.5","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.1005","0.0642","","","0.1705","0.1925","","","","","","1.032","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127041","19.8524","0.0007","21.9805","0.0008","14.2863","0.0005","90","","107.662","0.004","90","","5940.2","0.4","103.15","","103.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Cl4.16 F1.84 Fe2 N2 O15 -","- C48 H68 Cl4.1598 F1.8402 Fe2 N2 O15 -","- C192 H272 Cl16.6392 F7.3608 Fe8 N8 O60 -","4","1","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.0881","0.0591","","","0.1662","0.1874","","","","","","1.032","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127042","19.8773","0.0006","21.9737","0.0007","14.2912","0.0005","90","","107.608","0.004","90","","5949.6","0.4","103.15","","103.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Cl4.55 F1.45 Fe2 N2 O15 -","- C48 H68 Cl4.5498 F1.4502 Fe2 N2 O15 -","- C192 H272 Cl18.1992 F5.8008 Fe8 N8 O60 -","4","1","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.0877","0.0634","","","0.179","0.2026","","","","","","1.042","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127043","10.4941","0.0006","21.164","0.0013","12.1914","0.0008","90","","101.118","0.006","90","","2656.9","0.3","103.15","","103.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl4.16 F1.84 Fe2 N2 O12 -","- C42 H56 Cl4.1598 F1.8402 Fe2 N2 O12 -","- C84 H112 Cl8.3196 F3.6804 Fe4 N4 O24 -","2","0.5","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.0873","0.0534","","","0.1248","0.1418","","","","","","1.023","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127044","20.1163","0.0007","21.8555","0.0005","14.3929","0.0005","90","","108.051","0.004","90","","6016.4","0.4","103.15","","103.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Cl5.31 F0.69 Fe2 N2 O15 -","- C48 H68 Cl5.31 F0.69 Fe2 N2 O15 -","- C192 H272 Cl21.24 F2.76 Fe8 N8 O60 -","4","1","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.0718","0.05","","","0.1362","0.1492","","","","","","1.023","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127045","20.0262","0.0004","21.8928","0.0004","14.3496","0.0003","90","","107.832","0.002","90","","5989","0.2","103.15","","103.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Cl4.98 F1.02 Fe2 N2 O15 -","- C48 H68 Cl4.98 F1.02 Fe2 N2 O15 -","- C192 H272 Cl19.92 F4.08 Fe8 N8 O60 -","4","1","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.0498","0.0427","","","0.1233","0.1294","","","","","","1.047","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127046","19.6602","0.0008","22.2123","0.001","14.2016","0.0006","90","","107.21","0.004","90","","5924.1","0.5","103","2","103.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Cl3.49 F2.51 Fe2 N2 O15 -","- C48 H68 Cl3.4902 F2.5098 Fe2 N2 O15 -","- C192 H272 Cl13.9608 F10.0392 Fe8 N8 O60 -","4","1","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.1022","0.0754","","","0.2266","0.2567","","","","","","1.016","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127047","10.6203","0.0004","20.9025","0.0005","12.2015","0.0004","90","","101.021","0.004","90","","2658.67","0.15","103.15","","103.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl4.98 F1.02 Fe2 N2 O12 -","- C42 H56 Cl4.98 F1.02 Fe2 N2 O12 -","- C84 H112 Cl9.96 F2.04 Fe4 N4 O24 -","2","0.5","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.0441","0.0369","","","0.0934","0.0978","","","","","","1.105","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127048","10.6805","0.0006","20.8987","0.0011","12.2445","0.0006","90","","101.108","0.005","90","","2681.9","0.2","103.15","","103.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl5.31 F0.69 Fe2 N2 O12 -","- C42 H56 Cl5.31 F0.69 Fe2 N2 O12 -","- C84 H112 Cl10.62 F1.38 Fe4 N4 O24 -","2","0.5","","Sekine, Yoshihiro; Chen, Jian; Eguchi, Naoki; Miyasaka, Hitoshi","Fine tuning of intra-lattice electron transfers through site doping in tetraoxolene-bridged iron honeycomb layers.","Chemical communications (Cambridge, England)","2020","56","74","10867","10870","10.1039/d0cc03808c","","x-ray","0.71073","MoKα","","0.0567","0.0479","","","0.1198","0.1246","","","","","","1.105","","","","has coordinates,has disorder","257264","2020-10-21","18:00:00",""
"7127049","7.6107","0.0006","9.6669","0.0008","11.6421","0.001","74.194","0.002","82.375","0.002","75.798","0.002","796.96","0.11","273","2","273","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C36 H36 N4 O6 -","2","1","","Vaishanv, Narendra Kumar; Chandrasekharan, Sanoop P.; Zaheer, Mohd Khalid; Kant, Ruchir; Mohanan, Kishor","Substrate-controlled, PBu<sub>3</sub>-catalyzed annulation of phenacylmalononitriles with allenoates enables tunable access to cyclopentenes.","Chemical communications (Cambridge, England)","2020","56","75","11054","11057","10.1039/d0cc04688d","","x-ray","0.71073","MoKα","","0.049","0.042","","","0.1141","0.1272","","","","","","1.132","","","","has coordinates","257258","2020-10-21","18:00:00",""
"7127050","24.827","0.006","6.5559","0.0016","21.173","0.005","90","","107.267","0.006","90","","3290.9","1.4","273","2","273","2","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Br N2 O3 -","- C17 H15 Br N2 O3 -","- C136 H120 Br8 N16 O24 -","8","1","","Vaishanv, Narendra Kumar; Chandrasekharan, Sanoop P.; Zaheer, Mohd Khalid; Kant, Ruchir; Mohanan, Kishor","Substrate-controlled, PBu<sub>3</sub>-catalyzed annulation of phenacylmalononitriles with allenoates enables tunable access to cyclopentenes.","Chemical communications (Cambridge, England)","2020","56","75","11054","11057","10.1039/d0cc04688d","","x-ray","0.71073","MoKα","","0.0382","0.0316","","","0.0747","0.0775","","","","","","1.066","","","","has coordinates","257258","2020-10-21","18:00:00",""
"7127051","13.268","0.003","15.98","0.003","18.693","0.004","67.82","0.03","76.64","0.03","81.97","0.03","3564.7","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H56 Fe2 N8 O8 S8 -","- C68 H53.022 Fe2 N8 O8 S8 -","- C136 H106.044 Fe4 N16 O16 S16 -","2","1","","Zappe, Lisa; Schönfeld, Sophie; Hörner, Gerald; Zenere, Katrina A.; Leong, Chanel F.; Kepert, Cameron J.; D'Alessandro, Deanna M; Weber, Birgit; Neville, Suzanne M.","Spin crossover modulation in a coordination polymer with the redox-active bis-pyridyltetrathiafulvalene (py<sub>2</sub>TTF) ligand.","Chemical communications (Cambridge, England)","2020","56","72","10469","10472","10.1039/d0cc03788e","","","0.71073","Synchrotron","","0.1567","0.116","","","0.3173","0.3753","","","","","","1.1048","","","","has coordinates,has disorder","257274","2020-10-21","18:00:00",""
"7127052","14.5625","0.0005","14.5977","0.0005","5.9349","0.0001","90","","107.284","0.002","90","","1204.66","0.06","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H8 Cl2 Cu0.5 N -","- C3 H8 Cl2 Cu0.5 N -","- C24 H64 Cl16 Cu4 N8 -","8","1","","Gautier, Romain; Clérac, Rodolphe; Paris, Michael; Massuyeau, Florian","Role of specific distorted metal complexes in exciton self-trapping for hybrid metal halides.","Chemical communications (Cambridge, England)","2020","56","70","10139","10142","10.1039/d0cc04778c","","x-ray","0.71073","MoKα","","0.0212","0.0163","","","0.0392","0.0418","","","","","","1.098","","","","has coordinates","255941","2020-10-21","18:00:00",""
"7127053","15.2462","0.001","15.1744","0.0009","5.7267","0.0002","90","","105.733","0.004","90","","1275.25","0.12","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H8 Cd0.5 Cl2 N -","- C3 H8 Cd0.5 Cl2 N -","- C24 H64 Cd4 Cl16 N8 -","8","1","","Gautier, Romain; Clérac, Rodolphe; Paris, Michael; Massuyeau, Florian","Role of specific distorted metal complexes in exciton self-trapping for hybrid metal halides.","Chemical communications (Cambridge, England)","2020","56","70","10139","10142","10.1039/d0cc04778c","","x-ray","0.71073","MoKα","","0.0216","0.0161","","","0.0324","0.0341","","","","","","1.067","","","","has coordinates","255941","2020-10-21","18:00:00",""
"7127054","9.7392","0.0001","11.0547","0.0001","19.1794","0.0002","90","","101.876","0.001","90","","2020.73","0.04","180","","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N O3 -","- C27 H19 N O3 -","- C108 H76 N4 O12 -","4","1","","Wang, Ding; Ma, Zhishuang; Wang, Nana; Li, Chenyu; Wang, Tao; Liang, Yong; Zhang, Zunting","Synthesis of 7-hydroxy-6H-naphtho[2,3-c]coumarin via a TsOH-mediated tandem reaction.","Chemical communications (Cambridge, England)","2020","56","71","10369","10372","10.1039/d0cc04452k","","","1.54178","CuKα","","0.0446","0.0407","","","0.111","0.119","","","","","","1.056","","","","has coordinates","255980","2020-10-21","18:00:00",""
"7127055","20.6141","0.00015","16.28811","0.00011","24.27716","0.00018","90","","96.8619","0.0007","90","","8093.03","0.1","130","1","130","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H57 N3 O4 -","- C47 H57 N3 O4 -","- C376 H456 N24 O32 -","8","2","","Picci, Giacomo; Kubicki, Maciej; Garau, Alessandra; Lippolis, Vito; Mocci, Rita; Porcheddu, Andrea; Quesada, Roberto; Ricci, Pier Carlo; Scorciapino, M. Andrea; Caltagirone, Claudia","Simple squaramide receptors for highly efficient anion binding in aqueous media and transmembrane transport.","Chemical communications (Cambridge, England)","2020","56","75","11066","11069","10.1039/d0cc04090h","","x-ray","1.54184","CuKα","","0.0524","0.0473","","","0.1292","0.1336","","","","","","1.024","","","","has coordinates,has disorder","257259","2020-10-21","18:00:00",""
"7127056","12.60987","0.00013","10.80108","0.00011","13.03058","0.00013","90","","102.317","0.001","90","","1733.92","0.03","130","1","130","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N4 O3 -","- C22 H16 N4 O3 -","- C88 H64 N16 O12 -","4","1","","Picci, Giacomo; Kubicki, Maciej; Garau, Alessandra; Lippolis, Vito; Mocci, Rita; Porcheddu, Andrea; Quesada, Roberto; Ricci, Pier Carlo; Scorciapino, M. Andrea; Caltagirone, Claudia","Simple squaramide receptors for highly efficient anion binding in aqueous media and transmembrane transport.","Chemical communications (Cambridge, England)","2020","56","75","11066","11069","10.1039/d0cc04090h","","x-ray","1.54184","CuKα","","0.036","0.034","","","0.0967","0.0982","","","","","","1.06","","","","has coordinates","257259","2020-10-21","18:00:00",""
"7127057","33.3689","0.0008","22.8121","0.0004","38.3244","0.0009","90","","107.4","0.002","90","","27838.1","1.1","130","1","130","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H50 Cl N5 O2 -","- C36 H50 Cl N5 O2 -","- C1152 H1600 Cl32 N160 O64 -","32","4","","Picci, Giacomo; Kubicki, Maciej; Garau, Alessandra; Lippolis, Vito; Mocci, Rita; Porcheddu, Andrea; Quesada, Roberto; Ricci, Pier Carlo; Scorciapino, M. Andrea; Caltagirone, Claudia","Simple squaramide receptors for highly efficient anion binding in aqueous media and transmembrane transport.","Chemical communications (Cambridge, England)","2020","56","75","11066","11069","10.1039/d0cc04090h","","x-ray","1.54184","CuKα","","0.1319","0.096","","","0.222","0.2398","","","","","","1.008","","","","has coordinates","257259","2020-10-21","18:00:00",""
"7127058","18.1583","0.001","17.6762","0.0005","8.0886","0.0005","90","","128.002","0.009","90","","2045.8","0.3","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H22 Fe N O5 S -","- C20 H22 Fe N O5 S -","- C80 H88 Fe4 N4 O20 S4 -","4","1","","Kobayashi, Fumiya; Akiyoshi, Ryohei; Kosumi, Daisuke; Nakamura, Masaaki; Lindoy, Leonard F.; Hayami, Shinya","Solvent vapor-induced polarity and ferroelectricity switching.","Chemical communications (Cambridge, England)","2020","56","72","10509","10512","10.1039/d0cc04497k","","x-ray","0.71073","MoKα","","0.0256","0.0235","","","0.062","0.063","","","","","","1.0335","","","","has coordinates,has disorder","257273","2020-10-21","18:00:00",""
"7127059","9.3501","0.0019","19.938","0.003","12.331","0.002","90","","111.89","0.02","90","","2133","0.7","298","2","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25.5 H23.5 Fe N2.5 O4 -","- C25.5 H23.5 Fe N2.5 O4 -","- C102 H94 Fe4 N10 O16 -","4","1","","Kobayashi, Fumiya; Akiyoshi, Ryohei; Kosumi, Daisuke; Nakamura, Masaaki; Lindoy, Leonard F.; Hayami, Shinya","Solvent vapor-induced polarity and ferroelectricity switching.","Chemical communications (Cambridge, England)","2020","56","72","10509","10512","10.1039/d0cc04497k","","x-ray","0.71073","MoKα","","0.0916","0.0506","","","0.1368","0.1708","","","","","","1.0139","","","","has coordinates,has disorder","257273","2020-10-21","18:00:00",""
"7127060","9.038","0.0001","10.7196","0.0001","10.8654","0.0001","97.184","0.001","94.287","0.001","111.2","0.001","965.509","0.018","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C26 H23 N3 -","- C26 H23 N3 -","- C52 H46 N6 -","2","1","","Yang, Yurong; Zhang, Kaixin; Yang, Jian; Zhu, Guoxun; Chen, Weijie; Zhang, Chao; Zhou, Zhi; Yi, Wei","Ru(II)-Catalyzed and acidity-controlled tunable [5+1]/[5+2] annulation for building ring-fused quinazolines and 1,3-benzodiazepines.","Chemical communications (Cambridge, England)","2020","56","76","11315","11318","10.1039/d0cc04041j","","x-ray","1.54184","CuKα","","0.0521","0.0441","","","0.1109","0.116","","","","","","1.058","","","","has coordinates","257248","2020-10-21","18:00:00",""
"7127061","14.8745","0.0004","9.2268","0.0002","14.352","0.0003","90","","101.721","0.002","90","","1928.65","0.08","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N3 -","- C26 H23 N3 -","- C104 H92 N12 -","4","1","","Yang, Yurong; Zhang, Kaixin; Yang, Jian; Zhu, Guoxun; Chen, Weijie; Zhang, Chao; Zhou, Zhi; Yi, Wei","Ru(II)-Catalyzed and acidity-controlled tunable [5+1]/[5+2] annulation for building ring-fused quinazolines and 1,3-benzodiazepines.","Chemical communications (Cambridge, England)","2020","56","76","11315","11318","10.1039/d0cc04041j","","x-ray","1.54184","CuKα","","0.069","0.0631","","","0.1458","0.1582","","","","","","1.07","","","","has coordinates","257248","2020-10-21","18:00:00",""
"7127062","7.1857","0.0003","17.0238","0.0005","19.6063","0.0006","113.132","0.003","90.973","0.003","96.562","0.003","2186.09","0.14","150","0.2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 N O2 S -","- C27 H27 N O2 S -","- C108 H108 N4 O8 S4 -","4","2","","Andrés Castán, José María; Dalinot, Clément; Dayneko, Sergey; Abad Galan, Laura; Simón Marqués, Pablo; Alévêque, Olivier; Allain, Magali; Maury, Olivier; Favereau, Ludovic; Blanchard, Philippe; Welch, Gregory C.; Cabanetos, Clément","Synthesis, characterization and use of benzothioxanthene imide based dimers.","Chemical communications (Cambridge, England)","2020","56","70","10131","10134","10.1039/d0cc04556j","","","1.54184","CuKα","","0.0594","0.0467","","","0.117","0.1264","","","","","","1.034","","","","has coordinates","255946","2020-10-21","18:00:00",""
"7127063","10.6018","0.0007","13.9495","0.0008","15.1107","0.0009","85.675","0.005","86.516","0.005","74.883","0.005","2149.3","0.2","150","0.2","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C47 H37 Cl3 N2 O8 S2 -","- C46 H36 N2 O8 S2 -","- C92 H72 N4 O16 S4 -","2","1","","Andrés Castán, José María; Dalinot, Clément; Dayneko, Sergey; Abad Galan, Laura; Simón Marqués, Pablo; Alévêque, Olivier; Allain, Magali; Maury, Olivier; Favereau, Ludovic; Blanchard, Philippe; Welch, Gregory C.; Cabanetos, Clément","Synthesis, characterization and use of benzothioxanthene imide based dimers.","Chemical communications (Cambridge, England)","2020","56","70","10131","10134","10.1039/d0cc04556j","","","1.54184","CuKα","","0.0986","0.0766","","","0.192","0.2057","","","","","","1.052","","","","has coordinates,has disorder","255946","2020-10-21","18:00:00",""
"7127064","9.3061","0.0002","13.3044","0.0003","18.0105","0.0004","83.284","0.002","87.291","0.002","83.287","0.002","2198.16","0.09","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H38 Cl6 N2 O4 S2 -","- C48 H38 Cl6 N2 O4 S2 -","- C96 H76 Cl12 N4 O8 S4 -","2","1","","Andrés Castán, José María; Dalinot, Clément; Dayneko, Sergey; Abad Galan, Laura; Simón Marqués, Pablo; Alévêque, Olivier; Allain, Magali; Maury, Olivier; Favereau, Ludovic; Blanchard, Philippe; Welch, Gregory C.; Cabanetos, Clément","Synthesis, characterization and use of benzothioxanthene imide based dimers.","Chemical communications (Cambridge, England)","2020","56","70","10131","10134","10.1039/d0cc04556j","","","1.54184","CuKα","","0.055","0.0525","","","0.1434","0.1459","","","","","","1.061","","","","has coordinates,has disorder","255946","2020-10-21","18:00:00",""
"7127065","45.615","0.002","45.615","0.002","12.3835","0.0006","90","","90","","120","","22314.6","1.8","150","0.1","150","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C176 H172 N6 O12 S6 -","- C162 H156 N6 O12 S6 -","- C972 H936 N36 O72 S36 -","6","0.333333","","Andrés Castán, José María; Dalinot, Clément; Dayneko, Sergey; Abad Galan, Laura; Simón Marqués, Pablo; Alévêque, Olivier; Allain, Magali; Maury, Olivier; Favereau, Ludovic; Blanchard, Philippe; Welch, Gregory C.; Cabanetos, Clément","Synthesis, characterization and use of benzothioxanthene imide based dimers.","Chemical communications (Cambridge, England)","2020","56","70","10131","10134","10.1039/d0cc04556j","","","1.54184","CuKα","","0.1641","0.1118","","","0.3372","0.3908","","","","","","1.208","","","","has coordinates,has disorder","255946","2020-10-21","18:00:00",""
"7127066","13.0001","0.0003","28.8076","0.0008","26.4244","0.0006","90","","93.4546","0.0009","90","","9878","0.4","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C97 H152 N2 O Si7 -","- C97 H152 N2 O Si7 -","- C388 H608 N8 O4 Si28 -","4","1","","Poitiers, Nadine E.; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Nickel-assisted complete cleavage of CO by a silylene/siliconoid hybrid under formation of an Si[double bond, length as m-dash]C enol ether bridge.","Chemical communications (Cambridge, England)","2020","56","74","10898","10901","10.1039/d0cc04922k","","","0.71073","MoKα","","0.0613","0.0492","","","0.1436","0.1541","","","","","","1.039","","","","has coordinates,has disorder","257263","2020-10-21","18:00:00",""
"7127067","9.5337","0.0001","10.9943","0.0001","11.1572","0.0001","99.017","0.001","103.077","0.001","102.808","0.001","1084.12","0.02","160.03","0.18","160.03","0.18","","","","","","","","8","P -1","-P 1","2","","","","- C42 H34 F12 N2 O6 P2 Re2 Ru2 -","- C42 H34 F12 N2 O6 P2 Re2 Ru2 -","- C42 H34 F12 N2 O6 P2 Re2 Ru2 -","1","0.5","","Hernández-Valdés, Daniel; Wettstein, Lionel; Fernández-Terán, Ricardo; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Nadeem, Qaisar; Alberto, Roger","Dynamic dimer-monomer equilibrium in a cycloruthenated complex of [Re(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)<sub>2</sub>]<sup/>.","Chemical communications (Cambridge, England)","2020","56","73","10658","10661","10.1039/d0cc04180g","","x-ray","1.54184","CuKα","","0.027","0.0254","","","0.0669","0.0678","","","","","","1.074","","","","has coordinates","257231","2020-10-21","18:00:00",""
"7127068","10.5504","0.0001","17.4219","0.0002","14.6483","0.0001","90","","102.806","0.001","90","","2625.5","0.04","160","0.1","160","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 F6 N O7 Re Ru -","- C25 H18 F6 N O7 Re Ru -","- C100 H72 F24 N4 O28 Re4 Ru4 -","4","1","","Hernández-Valdés, Daniel; Wettstein, Lionel; Fernández-Terán, Ricardo; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Nadeem, Qaisar; Alberto, Roger","Dynamic dimer-monomer equilibrium in a cycloruthenated complex of [Re(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)<sub>2</sub>]<sup/>.","Chemical communications (Cambridge, England)","2020","56","73","10658","10661","10.1039/d0cc04180g","","x-ray","1.54184","CuKα","","0.0332","0.032","","","0.0829","0.0838","","","","","","1.089","","","","has coordinates","257231","2020-10-21","18:00:00",""
"7127069","12.5216","0.0002","12.3888","0.0002","16.6363","0.0003","90","","102.256","0.002","90","","2521.93","0.08","159.99","0.1","159.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 F6 N O7 Re Ru -","- C25 H18 F6 N O7 Re Ru -","- C100 H72 F24 N4 O28 Re4 Ru4 -","4","1","","Hernández-Valdés, Daniel; Wettstein, Lionel; Fernández-Terán, Ricardo; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Nadeem, Qaisar; Alberto, Roger","Dynamic dimer-monomer equilibrium in a cycloruthenated complex of [Re(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)<sub>2</sub>]<sup/>.","Chemical communications (Cambridge, England)","2020","56","73","10658","10661","10.1039/d0cc04180g","","x-ray","1.54184","CuKα","","0.0456","0.0413","","","0.1078","0.1101","","","","","","1.085","","","","has coordinates","257231","2020-10-21","18:00:00",""
"7127070","12.4479","0.0006","10.9895","0.0005","14.072","0.0007","90","","104.748","0.0017","90","","1861.57","0.15","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Br Cl N O4 -","- C19 H15 Br Cl N O4 -","- C76 H60 Br4 Cl4 N4 O16 -","4","1","","Liang, Hao; He, Xiaobo; Zhang, Yaqi; Chen, Bin; Ouyang, Jia-Sheng; Li, Yongsu; Pan, Bendu; Subba Reddy, Chitreddy V.; Chan, Wesley Ting Kwok; Qiu, Liqin","Copper-catalyzed (4+1) and (3+2) cyclizations of iodonium ylides with alkynes.","Chemical communications (Cambridge, England)","2020","56","77","11429","11432","10.1039/d0cc04373g","","","0.71073","MoKα","","0.0617","0.0468","","","0.1333","0.1438","","","","","","1.044","","","","has coordinates,has disorder","257237","2020-10-21","18:00:00",""
"7127071","13.1152","0.0019","9.7918","0.001","33.822","0.004","90","","91.189","0.012","90","","4342.5","0.9","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H36 N4 -","- C54 H36 N4 -","- C216 H144 N16 -","4","1","","Xu, Fen; Song, Yuan-Yuan; Zhu, Wen-Jing; Liu, Chun-Sen; Lu, Ya-Zhou; Du, Miao","Rhodium-catalyzed multiple C-H activation/highly <i>meta</i>-selective C-H amination between amidines and alkynes.","Chemical communications (Cambridge, England)","2020","56","76","11227","11230","10.1039/d0cc04885b","","x-ray","1.54184","CuKα","","0.2141","0.1265","","","0.3342","0.4339","","","","","","1.1381","","","","has coordinates","297561","2025-02-01","07:07:34",""
"7127072","13.3538","0.001","10.7542","0.001","15.7395","0.0012","90","","96.853","0.007","90","","2244.2","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H34 Cl2 N4 -","- C54 H34 Cl2 N4 -","- C108 H68 Cl4 N8 -","2","1","","Xu, Fen; Song, Yuan-Yuan; Zhu, Wen-Jing; Liu, Chun-Sen; Lu, Ya-Zhou; Du, Miao","Rhodium-catalyzed multiple C-H activation/highly <i>meta</i>-selective C-H amination between amidines and alkynes.","Chemical communications (Cambridge, England)","2020","56","76","11227","11230","10.1039/d0cc04885b","","x-ray","1.54184","CuKα","","0.0909","0.0836","","","0.227","0.2423","","","","","","1.042","","","","has coordinates","297561","2025-02-01","07:07:34",""
"7127073","15.7886","0.0004","10.8211","0.0003","28.7265","0.0008","90","","90.484","0.003","90","","4907.7","0.2","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H34 F6 N4 -","- C56 H34 F6 N4 -","- C224 H136 F24 N16 -","4","1","","Xu, Fen; Song, Yuan-Yuan; Zhu, Wen-Jing; Liu, Chun-Sen; Lu, Ya-Zhou; Du, Miao","Rhodium-catalyzed multiple C-H activation/highly <i>meta</i>-selective C-H amination between amidines and alkynes.","Chemical communications (Cambridge, England)","2020","56","76","11227","11230","10.1039/d0cc04885b","","x-ray","1.54184","CuKα","","0.0983","0.0859","","","0.2533","0.2739","","","","","","1.055","","","","has coordinates","298328","2025-03-07","16:31:39",""
"7127074","30.7434","0.0011","9.7093","0.0004","22.2459","0.0007","90","","126.426","0.003","90","","5343","0.4","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H31 Cl N3 Rh -","- C30 H31 Cl N3 Rh -","- C240 H248 Cl8 N24 Rh8 -","8","1","","Xu, Fen; Song, Yuan-Yuan; Zhu, Wen-Jing; Liu, Chun-Sen; Lu, Ya-Zhou; Du, Miao","Rhodium-catalyzed multiple C-H activation/highly <i>meta</i>-selective C-H amination between amidines and alkynes.","Chemical communications (Cambridge, England)","2020","56","76","11227","11230","10.1039/d0cc04885b","","","1.54178","CuKα","","0.1193","0.0864","","","0.2632","0.3161","","","","","","1.316","","","","has coordinates","257251","2020-10-21","18:00:00",""
"7127075","15.6342","0.0003","7.2912","0.0001","25.8878","0.0005","90","","98.679","0.002","90","","2917.21","0.09","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9.23 H9.54 Cl0.62 N0.62 Rh0.31 -","- C9.23077 H9.53846 Cl0.615385 N0.615385 Rh0.307692 -","- C120 H124 Cl8 N8 Rh4 -","13","3.25","","Xu, Fen; Song, Yuan-Yuan; Zhu, Wen-Jing; Liu, Chun-Sen; Lu, Ya-Zhou; Du, Miao","Rhodium-catalyzed multiple C-H activation/highly <i>meta</i>-selective C-H amination between amidines and alkynes.","Chemical communications (Cambridge, England)","2020","56","76","11227","11230","10.1039/d0cc04885b","","x-ray","1.54184","CuKα","","0.0376","0.0338","","","0.0836","0.0868","","","","","","1.04","","","","has coordinates","257251","2020-10-21","18:00:00",""
"7127076","9.8941","0.0003","13.9468","0.0004","16.4764","0.0005","102.279","0.002","99.94","0.002","97.712","0.002","2153.46","0.11","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H32 N4 S2 -","- C50 H32 N4 S2 -","- C100 H64 N8 S4 -","2","1","","Xu, Fen; Song, Yuan-Yuan; Zhu, Wen-Jing; Liu, Chun-Sen; Lu, Ya-Zhou; Du, Miao","Rhodium-catalyzed multiple C-H activation/highly <i>meta</i>-selective C-H amination between amidines and alkynes.","Chemical communications (Cambridge, England)","2020","56","76","11227","11230","10.1039/d0cc04885b","","x-ray","1.54184","CuKα","","0.0729","0.0655","","","0.2194","0.2324","","","","","","1.112","","","","has coordinates","297561","2025-02-01","07:07:34",""
"7127077","15.7038","0.0003","10.8165","0.0002","28.0637","0.0006","90","","90.879","0.002","90","","4766.34","0.16","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H37 F3 N4 -","- C56 H37 F3 N4 -","- C224 H148 F12 N16 -","4","1","","Xu, Fen; Song, Yuan-Yuan; Zhu, Wen-Jing; Liu, Chun-Sen; Lu, Ya-Zhou; Du, Miao","Rhodium-catalyzed multiple C-H activation/highly <i>meta</i>-selective C-H amination between amidines and alkynes.","Chemical communications (Cambridge, England)","2020","56","76","11227","11230","10.1039/d0cc04885b","","x-ray","1.54184","CuKα","","0.1014","0.0902","","","0.2846","0.3053","","","","","","1.26","","","","has coordinates","297561","2025-02-01","07:07:34",""
"7127078","5.0197","0.0004","5.2136","0.0004","12.4572","0.001","90","","95.943","0.003","90","","324.26","0.04","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- F I O3 Zn -","- F I O3 Zn -","- F4 I4 O12 Zn4 -","4","1","","Cao, Liling; Luo, Min; Lin, Chensheng; Zhou, Yuqiao; Zhao, Dan; Yan, Tao; Ye, Ning","From centrosymmetric to noncentrosymmetric: intriguing structure evolution in d<sup>10</sup>-transition metal iodate fluorides.","Chemical communications (Cambridge, England)","2020","56","73","10734","10737","10.1039/d0cc02532a","","","0.71073","MoKα","","0.0233","0.0229","","","0.0562","0.0565","","","","","","1.29","","","","has coordinates","257233","2020-10-21","18:00:00",""
"7127079","5.5051","0.0004","5.7913","0.0004","10.9326","0.0007","90","","90","","90","","348.55","0.04","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cd F I O3 -","- Cd F I O3 -","- Cd4 F4 I4 O12 -","4","1","","Cao, Liling; Luo, Min; Lin, Chensheng; Zhou, Yuqiao; Zhao, Dan; Yan, Tao; Ye, Ning","From centrosymmetric to noncentrosymmetric: intriguing structure evolution in d<sup>10</sup>-transition metal iodate fluorides.","Chemical communications (Cambridge, England)","2020","56","73","10734","10737","10.1039/d0cc02532a","","","0.71073","MoKα","","0.0274","0.0272","","","0.0633","0.0634","","","","","","1.175","","","","has coordinates","257233","2020-10-21","18:00:00",""
"7127080","8.29029","0.00017","20.9516","0.0004","8.39594","0.00016","90","","97.0201","0.0018","90","","1447.4","0.05","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H31 Cl N2 O4 S -","- C32 H31 Cl N2 O4 S -","- C64 H62 Cl2 N4 O8 S2 -","2","1","","Lu, Dongming; Wu, Jia-Hong; Pan, Jianke; Chen, Xue; Ren, Xiaoyu; Wang, Tianli","Asymmetric synthesis of benzothiazolopyrimidines with high catalytic efficiency and stereoselectivity under bifunctional phosphonium salt systems.","Chemical communications (Cambridge, England)","2020","56","76","11231","11234","10.1039/d0cc04820h","","x-ray","1.54184","CuKα","","0.0554","0.0536","","","0.1369","0.1404","","","","","","1.048","","","","has coordinates","257250","2020-10-21","18:00:00",""
"7127081","9.7282","0.0015","14.5036","0.0012","13.5002","0.0009","90","","108.564","0.012","90","","1805.7","0.4","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N2 O3 -","- C23 H18 N2 O3 -","- C92 H72 N8 O12 -","4","1","","Yuan, Shuo; Yue, Ya-Le; Zhang, Dan-Qing; Zhang, Jing-Ya; Yu, Bin; Liu, Hong-Min","Synthesis of new tetracyclic benzodiazepine-fused isoindolinones using recyclable mesoporous silica nanoparticles.","Chemical communications (Cambridge, England)","2020","56","77","11461","11464","10.1039/d0cc04875e","","","0.71073","MoKα","","0.0901","0.0464","","","0.0958","0.1074","","","","","","1.003","","","","has coordinates","257242","2020-10-21","18:00:00",""
"7127082","11.2111","0.0002","6.05545","0.00012","13.6909","0.0003","90","","112.986","0.003","90","","855.65","0.04","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H18 F0.5 N3 O6 P -","- C15 H17 F N3 O5 P -","- C30 H34 F2 N6 O10 P2 -","2","1","","Wu, Wei; Wang, Yan; Guo, Jing; Cai, Liu; Chen, Yuan; Huang, Yanmin; Peng, Yungui","Asymmetric acyl-Mannich reaction of isoquinolines with α-(diazomethyl)phosphonate and diazoacetate catalyzed by chiral Brønsted acids.","Chemical communications (Cambridge, England)","2020","56","76","11235","11238","10.1039/d0cc03201h","","x-ray","1.54184","CuKα","","0.0425","0.0405","","","0.1041","0.107","","","","","","0.99","","","","has coordinates","257245","2020-10-21","18:00:00",""
"7127083","7.32373","0.0001","15.62333","0.00014","8.2508","0.0001","90","","112.635","0.0015","90","","871.35","0.02","294","0.3","294","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Br N3 O4 -","- C16 H18 Br N3 O4 -","- C32 H36 Br2 N6 O8 -","2","1","","Wu, Wei; Wang, Yan; Guo, Jing; Cai, Liu; Chen, Yuan; Huang, Yanmin; Peng, Yungui","Asymmetric acyl-Mannich reaction of isoquinolines with α-(diazomethyl)phosphonate and diazoacetate catalyzed by chiral Brønsted acids.","Chemical communications (Cambridge, England)","2020","56","76","11235","11238","10.1039/d0cc03201h","","x-ray","1.54184","CuKα","","0.0386","0.0383","","","0.1058","0.1063","","","","","","1.041","","","","has coordinates","257245","2020-10-21","18:00:00",""
"7127084","7.4818","0.0001","10.0714","0.0002","23.347","0.0003","90","","90","","90","","1759.25","0.05","292.7","0.2","292.7","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","lwp","","- C18 H16 N2 O7 -","- C18 H16 N2 O7 -","- C72 H64 N8 O28 -","4","1","","Wang, Hai-Xia; Li, Wen-Peng; Zhang, Mi-Mi; Xie, Ming-Sheng; Qu, Gui-Rong; Guo, Hai-Ming","Synthesis of chiral pyrimidine-substituted diester D-A cyclopropanes <i>via</i> asymmetric cyclopropanation of phenyliodonium ylides.","Chemical communications (Cambridge, England)","2020","56","78","11649","11652","10.1039/d0cc04536e","","x-ray","1.54184","CuKα","","0.0416","0.0398","","","0.1032","0.1052","","","","","","1.037","","","","has coordinates","257227","2020-10-21","18:00:00",""
"7127085","11.8701","0.0004","9.35538","0.00018","12.279","0.0004","90","","117.558","0.004","90","","1208.87","0.08","99.9","0.5","99.9","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","(3S,4S,5R)-5-benzyl-3-butyl-4-hydroxy-4-phenyl-1-tosylpyrrolidin-2-one","","- C28 H31 N O4 S -","- C28 H31 N O4 S -","- C56 H62 N2 O8 S2 -","2","1","","Qian, Hui; Sun, Song; Zhao, Wanxiang; Sun, Jianwei","An efficient [3+2] annulation for the asymmetric synthesis of densely-functionalized pyrrolidinones and γ-butenolides.","Chemical communications (Cambridge, England)","2020","56","76","11295","11298","10.1039/d0cc05188h","","x-ray","1.54184","CuKα","","0.025","0.0242","","","0.0598","0.0604","","","","","","1.001","","","","has coordinates","257247","2020-10-21","18:00:00",""
"7127086","9.9088","0.0003","20.8368","0.0011","19.7657","0.001","90","","98.387","0.004","90","","4037.3","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 N O -","- C21 H35 N O -","- C168 H280 N8 O8 -","8","2","","Rösch, Bastian; Gentner, Thomas Xaver; Eyselein, Jonathan; Friedrich, Alexander; Langer, Jens; Harder, Sjoerd","Mg-Mg bond polarization induced by a superbulky β-diketiminate ligand.","Chemical communications (Cambridge, England)","2020","56","77","11402","11405","10.1039/d0cc05200k","","x-ray","1.54184","CuKα","","0.0854","0.0758","","","0.1508","0.1553","","","","","","1.168","","","","has coordinates,has disorder","257244","2020-10-21","18:00:00",""
"7127087","10.8072","0.0003","18.5224","0.0003","21.5987","0.0004","90","","104.313","0.002","90","","4189.32","0.16","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H69 I Mg N2 -","- C43 H69 I Mg N2 -","- C172 H276 I4 Mg4 N8 -","4","1","","Rösch, Bastian; Gentner, Thomas Xaver; Eyselein, Jonathan; Friedrich, Alexander; Langer, Jens; Harder, Sjoerd","Mg-Mg bond polarization induced by a superbulky β-diketiminate ligand.","Chemical communications (Cambridge, England)","2020","56","77","11402","11405","10.1039/d0cc05200k","","x-ray","0.71073","MoKα","","0.064","0.0452","","","0.1032","0.1132","","","","","","1.064","","","","has coordinates,has disorder","257244","2020-10-21","18:00:00",""
"7127088","16.7941","0.0004","19.6395","0.0004","21.899","0.0006","90","","90","","90","","7222.9","0.3","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H57 I Mg N2 -","- C37 H57 I Mg N2 -","- C296 H456 I8 Mg8 N16 -","8","1","","Rösch, Bastian; Gentner, Thomas Xaver; Eyselein, Jonathan; Friedrich, Alexander; Langer, Jens; Harder, Sjoerd","Mg-Mg bond polarization induced by a superbulky β-diketiminate ligand.","Chemical communications (Cambridge, England)","2020","56","77","11402","11405","10.1039/d0cc05200k","","x-ray","0.71073","MoKα","","0.0437","0.0316","","","0.0658","0.0717","","","","","","1.029","","","","has coordinates","257244","2020-10-21","18:00:00",""
"7127089","11.0072","0.0004","16.9342","0.0008","21.7042","0.0007","91.446","0.003","95.022","0.003","97.171","0.003","3995.9","0.3","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C86 H138 Mg2 N4 -","- C86 H138 Mg2 N4 -","- C172 H276 Mg4 N8 -","2","1","","Rösch, Bastian; Gentner, Thomas Xaver; Eyselein, Jonathan; Friedrich, Alexander; Langer, Jens; Harder, Sjoerd","Mg-Mg bond polarization induced by a superbulky β-diketiminate ligand.","Chemical communications (Cambridge, England)","2020","56","77","11402","11405","10.1039/d0cc05200k","","x-ray","1.54184","CuKα","","0.1091","0.0845","","","0.218","0.2475","","","","","","1.006","","","","has coordinates,has disorder","257244","2020-10-21","18:00:00",""
"7127090","10.1571","0.0004","10.6195","0.0003","21.6789","0.0005","97.526","0.002","99.465","0.002","105.672","0.003","2182.57","0.12","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C46.79 H77.58 Mg N2 -","- C46.788 H77.576 Mg N2 -","- C93.576 H155.152 Mg2 N4 -","2","1","","Rösch, Bastian; Gentner, Thomas Xaver; Eyselein, Jonathan; Friedrich, Alexander; Langer, Jens; Harder, Sjoerd","Mg-Mg bond polarization induced by a superbulky β-diketiminate ligand.","Chemical communications (Cambridge, England)","2020","56","77","11402","11405","10.1039/d0cc05200k","","x-ray","1.54184","CuKα","","0.0435","0.0391","","","0.0979","0.1008","","","","","","1.047","","","","has coordinates,has disorder","257244","2020-10-21","18:00:00",""
"7127091","11.9665","0.0002","23.6431","0.0004","15.0792","0.0003","90","","112.986","0.003","90","","3927.54","0.15","100","0.2","100","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C43 H70 N2 -","- C43 H70 N2 -","- C172 H280 N8 -","4","1","","Rösch, Bastian; Gentner, Thomas Xaver; Eyselein, Jonathan; Friedrich, Alexander; Langer, Jens; Harder, Sjoerd","Mg-Mg bond polarization induced by a superbulky β-diketiminate ligand.","Chemical communications (Cambridge, England)","2020","56","77","11402","11405","10.1039/d0cc05200k","","x-ray","1.54184","CuKα","","0.0435","0.0378","","","0.0932","0.0979","","","","","","1.034","","","","has coordinates,has disorder","257244","2020-10-21","18:00:00",""
"7127092","10.6271","0.0008","10.757","0.0008","11.7417","0.0009","66.929","0.001","70.116","0.002","62.767","0.001","1076.6","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H21 N O -","- C31 H21 N O -","- C62 H42 N2 O2 -","2","1","","Xu, Ting; Lin, Na; Hao, Wen-Juan; Zhang, Jie; Li, Meng-Fan; Tu, Shu-Jiang; Jiang, Bo","Synthesis of polycyclic indoles <i>via</i> organocatalytic bicyclization of α-alkynylnaphthalen-2-ols with nitrones.","Chemical communications (Cambridge, England)","2020","56","77","11406","11409","10.1039/d0cc05027j","","","0.71073","MoKα","","0.1133","0.0601","","","0.1376","0.1535","","","","","","1.034","","","","has coordinates","257239","2020-10-21","18:00:00",""
"7127093","27.225","0.002","8.3989","0.0008","15.7502","0.0015","90","","122.16","0.003","90","","3048.9","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 O5 Pt S4 V -","- C8 H12 O5 Pt S4 V -","- C64 H96 O40 Pt8 S32 V8 -","8","1","","Beach, Stephanie A.; Guillet, Jesse L.; Lagueux, Sydney P.; Perfetti, Mauro; Livesay, Brooke N.; Shores, Matthew P.; Bacon, Jeffrey W.; Rheingold, Arnold L.; Arnold, Polly L.; Doerrer, Linda H.","Heterotrimetallic {LnOVPt} complexes with antiferromagnetic Ln-V coupling and magnetic memory.","Chemical communications (Cambridge, England)","2020","56","75","11062","11065","10.1039/d0cc04334f","","x-ray","0.71073","MoKα","K-L~3~","0.0283","0.0225","","","0.0488","0.0512","","","","","","1.034","","","","has coordinates","257257","2020-10-21","18:00:00",""
"7127094","11.7092","0.0011","11.7557","0.001","12.2506","0.0011","71.254","0.004","75.235","0.005","88.198","0.004","1541.8","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H22 Cl2 O5 Pt S4 V -","- C29 H22 Cl2 O5 Pt S4 V -","- C58 H44 Cl4 O10 Pt2 S8 V2 -","2","1","","Beach, Stephanie A.; Guillet, Jesse L.; Lagueux, Sydney P.; Perfetti, Mauro; Livesay, Brooke N.; Shores, Matthew P.; Bacon, Jeffrey W.; Rheingold, Arnold L.; Arnold, Polly L.; Doerrer, Linda H.","Heterotrimetallic {LnOVPt} complexes with antiferromagnetic Ln-V coupling and magnetic memory.","Chemical communications (Cambridge, England)","2020","56","75","11062","11065","10.1039/d0cc04334f","","x-ray","1.54178","CuKα","K-L~3~","0.0423","0.0374","","","0.0906","0.0937","","","","","","1.055","","","","has coordinates","257257","2020-10-21","18:00:00",""
"7127095","20.6526","0.0005","21.3478","0.0004","25.5068","0.0006","90","","90","","90","","11245.6","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C50 H75 Nd O8 Pt S4 V -","- C50 H75 Nd O8 Pt S4 V -","- C400 H600 Nd8 O64 Pt8 S32 V8 -","8","1","","Beach, Stephanie A.; Guillet, Jesse L.; Lagueux, Sydney P.; Perfetti, Mauro; Livesay, Brooke N.; Shores, Matthew P.; Bacon, Jeffrey W.; Rheingold, Arnold L.; Arnold, Polly L.; Doerrer, Linda H.","Heterotrimetallic {LnOVPt} complexes with antiferromagnetic Ln-V coupling and magnetic memory.","Chemical communications (Cambridge, England)","2020","56","75","11062","11065","10.1039/d0cc04334f","","x-ray","0.71073","MoKα","","0.0844","0.0526","","","0.1044","0.1198","","","","","","1.108","","","","has coordinates","257257","2020-10-21","18:00:00",""
"7127096","16.7686","0.0012","22.4235","0.0016","22.4927","0.0017","81.342","0.001","72.858","0.002","83.434","0.001","7967.7","1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C80.5 H95 Nd O8 Pt S4 V -","- C80.5 H95 Nd O8 Pt S4 V -","- C322 H380 Nd4 O32 Pt4 S16 V4 -","4","2","","Beach, Stephanie A.; Guillet, Jesse L.; Lagueux, Sydney P.; Perfetti, Mauro; Livesay, Brooke N.; Shores, Matthew P.; Bacon, Jeffrey W.; Rheingold, Arnold L.; Arnold, Polly L.; Doerrer, Linda H.","Heterotrimetallic {LnOVPt} complexes with antiferromagnetic Ln-V coupling and magnetic memory.","Chemical communications (Cambridge, England)","2020","56","75","11062","11065","10.1039/d0cc04334f","","x-ray","0.71073","MoKα","","0.0617","0.036","","","0.0709","0.0798","","","","","","1.011","","","","has coordinates,has disorder","257257","2020-10-21","18:00:00",""
"7127097","16.9219","0.0003","22.5655","0.0003","22.5881","0.0003","81.471","0.001","83.275","0.001","72.952","0.001","8130.3","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C80.5 H95 Ce O8 Pt S4 V -","- C80.5 H95 Ce O8 Pt S4 V -","- C322 H380 Ce4 O32 Pt4 S16 V4 -","4","2","","Beach, Stephanie A.; Guillet, Jesse L.; Lagueux, Sydney P.; Perfetti, Mauro; Livesay, Brooke N.; Shores, Matthew P.; Bacon, Jeffrey W.; Rheingold, Arnold L.; Arnold, Polly L.; Doerrer, Linda H.","Heterotrimetallic {LnOVPt} complexes with antiferromagnetic Ln-V coupling and magnetic memory.","Chemical communications (Cambridge, England)","2020","56","75","11062","11065","10.1039/d0cc04334f","","x-ray","0.71073","MoKα","","0.0778","0.0449","","","0.0893","0.1027","","","","","","1.022","","","","has coordinates,has disorder","257257","2020-10-21","18:00:00",""
"7127098","15.9088","0.0002","23.5478","0.0005","17.7553","0.0002","90","","93.81","0.001","90","","6636.74","0.18","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C58.32 H86.96 Ce O8.22 Pt S4 Si0.44 V -","- C58.3206 H86.9618 Ce O8.2201 Pt S4 Si0.4402 V -","- C233.282 H347.847 Ce4 O32.8804 Pt4 S16 Si1.7608 V4 -","4","1","","Beach, Stephanie A.; Guillet, Jesse L.; Lagueux, Sydney P.; Perfetti, Mauro; Livesay, Brooke N.; Shores, Matthew P.; Bacon, Jeffrey W.; Rheingold, Arnold L.; Arnold, Polly L.; Doerrer, Linda H.","Heterotrimetallic {LnOVPt} complexes with antiferromagnetic Ln-V coupling and magnetic memory.","Chemical communications (Cambridge, England)","2020","56","75","11062","11065","10.1039/d0cc04334f","","x-ray","0.71073","MoKα","","0.0554","0.0384","","","0.0835","0.0903","","","","","","1.077","","","","has coordinates,has disorder","257257","2020-10-21","18:00:00",""
"7127099","10.7539","0.0007","15.7753","0.0011","10.6322","0.0007","90","","118.742","0.002","90","","1581.48","0.19","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Kwak, Se Hun; Daugulis, Olafs","N-Iminopyridinium ylide-directed, cobalt-catalysed coupling of sp<sup>2</sup> C-H bonds with alkynes.","Chemical communications (Cambridge, England)","2020","56","75","11070","11073","10.1039/d0cc05294a","","","1.54178","CuKα","","0.0332","0.033","","","0.0895","0.0896","","","","","","1.003","","","","has coordinates","257254","2020-10-21","18:00:00",""
"7127100","8.4964","0.0011","31.85","0.004","8.5016","0.001","90","","112.618","0.003","90","","2123.7","0.5","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Co I N2 O2 -","- C23 H26 Co I N2 O2 -","- C92 H104 Co4 I4 N8 O8 -","4","1","","Kwak, Se Hun; Daugulis, Olafs","N-Iminopyridinium ylide-directed, cobalt-catalysed coupling of sp<sup>2</sup> C-H bonds with alkynes.","Chemical communications (Cambridge, England)","2020","56","75","11070","11073","10.1039/d0cc05294a","","","0.71073","MoKα","","0.0354","0.0315","","","0.0603","0.0614","","","","","","1.227","","","","has coordinates","257254","2020-10-21","18:00:00",""
"7127101","12.984","0.0009","33.1749","0.0019","18.489","0.0011","90","","108.557","0.004","90","","7549.9","0.8","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C168 H198 F4 N6 O6 S4 -","- C168 H198 F4 N6 O6 S4 -","- C336 H396 F8 N12 O12 S8 -","2","0.5","","Ding, Kui; Shan, Tong; Xu, Jinqiu; Li, Mengyang; Wang, Yan; Zhang, Yi; Xie, Ziyi; Ma, Zaifei; Liu, Feng; Zhong, Hongliang","A perylene diimide-containing acceptor enables high fill factor in organic solar cells.","Chemical communications (Cambridge, England)","2020","56","77","11433","11436","10.1039/d0cc04297h","","","1.54178","CuKα","","0.2007","0.1197","","","0.3223","0.3958","","","","","","1.144","","","","has coordinates","257241","2020-10-21","18:00:00",""
"7127102","10.65993","0.00006","11.44033","0.00005","11.66689","0.00006","90","","113.252","0.0006","90","","1307.25","0.013","294.15","","294.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H40 N2 O8 -","- C25 H40 N2 O8 -","- C50 H80 N4 O16 -","2","1","","Xiang, Junhong; Zhang, Xuemei; Wang, Dehong; Li, Jiaxin; Li, Qiuying; Wang, Qin; Ding, Yahui; Chen, Tianyang; Sun, Yuanjun; Bao, Shiqi; Chen, Jing; Li, Dongmei; Wang, Liang; Chen, Yue","Chemical modification of ovatodiolide revealed a promising amino-prodrug with improved pharmacokinetic profile.","Chemical communications (Cambridge, England)","2020","56","75","11018","11021","10.1039/c9cc07573a","","x-ray","1.54184","CuKα","","0.0323","0.032","","","0.0908","0.0911","","","","","","1.045","","","","has coordinates","257256","2020-10-21","18:00:00",""
"7127103","13.93601","0.00006","13.66097","0.00008","14.35128","0.00007","90","","92.6127","0.0004","90","","2729.35","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H36 N2 O4 -","- C25 H36.5 N2 O4 -","- C100 H146 N8 O16 -","4","2","","Xiang, Junhong; Zhang, Xuemei; Wang, Dehong; Li, Jiaxin; Li, Qiuying; Wang, Qin; Ding, Yahui; Chen, Tianyang; Sun, Yuanjun; Bao, Shiqi; Chen, Jing; Li, Dongmei; Wang, Liang; Chen, Yue","Chemical modification of ovatodiolide revealed a promising amino-prodrug with improved pharmacokinetic profile.","Chemical communications (Cambridge, England)","2020","56","75","11018","11021","10.1039/c9cc07573a","","x-ray","1.54184","CuKα","","0.1229","0.1223","","","0.3198","0.3221","","","","","","1.607","","","","has coordinates","298328","2025-03-07","16:31:39",""
"7127104","23.3078","0.0012","14.5446","0.0004","17.1713","0.0005","90","","90","","90","","5821.1","0.4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","2-(dipp)2(Mes)","[MesPDIMe]U(N-dipp)2(N-Mes)","","- C65 H88 N6 U -","- C65 H88 N6 U -","- C260 H352 N24 U4 -","4","1","","Raghavan, Adharsh; Anderson, Nickolas H.; Tatebe, Caleb J.; Stanley, Dalton A.; Zeller, Matthias; Bart, Suzanne C.","Insight into geometric preferences in uranium(VI) mixed tris(imido) systems.","Chemical communications (Cambridge, England)","2020","56","75","11138","11141","10.1039/d0cc03261a","","","0.71073","MoKα","","0.1034","0.043","","","0.0715","0.0836","","","","","","0.917","","","","has coordinates","257255","2020-10-21","18:00:00",""
"7127105","14.6346","0.0005","21.6509","0.0007","15.5875","0.0005","90","","90.829","0.003","90","","4938.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-detp","[MesPDIMe]U(N-detp)3","","- C57 H70 N6 U -","- C57 H70 N6 U -","- C228 H280 N24 U4 -","4","1","","Raghavan, Adharsh; Anderson, Nickolas H.; Tatebe, Caleb J.; Stanley, Dalton A.; Zeller, Matthias; Bart, Suzanne C.","Insight into geometric preferences in uranium(VI) mixed tris(imido) systems.","Chemical communications (Cambridge, England)","2020","56","75","11138","11141","10.1039/d0cc03261a","","","1.54178","CuKα","","0.0776","0.0672","","","0.1946","0.2096","","","","","","1.153","","","","has coordinates","257255","2020-10-21","18:00:00",""
"7127106","11.3843","0.0004","23.5278","0.0009","22.0095","0.0008","90","","100.311","0.0012","90","","5800","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-(dipp)2(Detp)","[MesPDIMe]U(N-dipp)2(N-detp)","","- C65 H86 N6 O U -","- C65 H86 N6 O U -","- C260 H344 N24 O4 U4 -","4","1","","Raghavan, Adharsh; Anderson, Nickolas H.; Tatebe, Caleb J.; Stanley, Dalton A.; Zeller, Matthias; Bart, Suzanne C.","Insight into geometric preferences in uranium(VI) mixed tris(imido) systems.","Chemical communications (Cambridge, England)","2020","56","75","11138","11141","10.1039/d0cc03261a","","","1.54178","CuKα","","0.0307","0.03","","","0.0697","0.0703","","","","","","1.127","","","","has coordinates","257255","2020-10-21","18:00:00",""
"7127107","6.768","0.002","13.774","0.004","13.88","0.004","87.61","0.02","85.88","0.02","87.59","0.02","1288.5","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 F N3 Pt S0.5 -","- C12 H10 F N3 Pt S0.5 -","- C48 H40 F4 N12 Pt4 S2 -","4","2","","Li, Jun; Ma, Yun; Liu, Suyi; Mao, Zhu; Chi, Zhenguo; Qian, Peng-Cheng; Wong, Wai-Yeung","Soft salts based on platinum(II) complexes with high emission quantum efficiencies in the near infrared region for <i>in vivo</i> imaging.","Chemical communications (Cambridge, England)","2020","56","78","11681","11684","10.1039/d0cc05366j","","","1.54184","CuKα","","0.0874","0.0776","","","0.1909","0.1978","","","","","","1.189","","","","has coordinates,has disorder","257229","2020-10-21","18:00:00",""
"7127108","10.917","0.003","7.526","0.003","28.688","0.011","90","","100.154","0.014","90","","2320.1","1.4","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 O4 S2 -","- C25 H24 O4 S2 -","- C100 H96 O16 S8 -","4","1","","Fei, Weihong; Xu, Ping; Hou, Jie; Yao, Weijun","Phosphine catalyzed [3+2] cyclization/Michael addition of allenoate with CS<sub>2</sub> to form 2-thineyl vinyl sulfide.","Chemical communications (Cambridge, England)","2020","56","78","11669","11672","10.1039/d0cc05070a","","","0.71073","MoKα","","0.0614","0.0462","","","0.1241","0.1377","","","","","","1.031","","","","has coordinates","257228","2020-10-21","18:00:00",""
"7127109","15.9815","0.0004","16.5996","0.0003","26.6002","0.0006","90","","90","","90","","7056.7","0.3","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C74 H66 N3 O14 P4 Yb -","- C74 H60 N3 O14 P4 Yb -","- C296 H240 N12 O56 P16 Yb4 -","4","0.5","","Borah, Aditya; Dey, Sourav; Gupta, Sandeep K.; Walawalkar, Mrinalini G.; Rajaraman, Gopalan; Murugavel, Ramaswamy","Enhancing the barrier height for Yb(III) single-ion magnets by modulating axial ligand fields.","Chemical communications (Cambridge, England)","2020","56","79","11879","11882","10.1039/d0cc01370f","","","0.71073","MoKα","","0.0486","0.0377","","","0.0936","0.1008","","","","","","1.076","","","","has coordinates,has disorder","260640","2021-01-07","04:40:31",""
"7127110","13.6979","0.0002","14.633","0.0002","19.8834","0.0002","94.599","0.001","108.159","0.001","90.614","0.001","3772.09","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C152 H126 F18 O27 P8 S6 Yb2 -","- C152 H120 F18 O27 P8 S6 Yb2 -","- C152 H120 F18 O27 P8 S6 Yb2 -","1","0.5","","Borah, Aditya; Dey, Sourav; Gupta, Sandeep K.; Walawalkar, Mrinalini G.; Rajaraman, Gopalan; Murugavel, Ramaswamy","Enhancing the barrier height for Yb(III) single-ion magnets by modulating axial ligand fields.","Chemical communications (Cambridge, England)","2020","56","79","11879","11882","10.1039/d0cc01370f","","","0.71073","MoKα","","0.0394","0.0375","","","0.0933","0.0955","","","","","","1.087","","","","has coordinates,has disorder","260640","2021-01-07","04:40:31",""
"7127111","13.9941","0.0002","15.4903","0.0003","17.781","0.0004","89.738","0.002","84.044","0.002","80.588","0.001","3781.72","0.13","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H66 Br0.47 Cl0.62 I3.91 O5 P4 Yb -","- C74 H63 Br0.469 Cl0.622 I3.909 O5 P4 Yb -","- C148 H126 Br0.938 Cl1.244 I7.818 O10 P8 Yb2 -","2","1","","Borah, Aditya; Dey, Sourav; Gupta, Sandeep K.; Walawalkar, Mrinalini G.; Rajaraman, Gopalan; Murugavel, Ramaswamy","Enhancing the barrier height for Yb(III) single-ion magnets by modulating axial ligand fields.","Chemical communications (Cambridge, England)","2020","56","79","11879","11882","10.1039/d0cc01370f","","","0.71073","MoKα","","0.0833","0.0606","","","0.1284","0.1404","","","","","","1.078","","","","has coordinates,has disorder","260640","2021-01-07","04:40:31",""
"7127112","3.7895","0.0002","10.0133","0.0005","18.8245","0.0009","84.216","0.004","84.817","0.004","79.331","0.004","696.5","0.06","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H26 N4 O2 -","- C34 H18 N4 -","- C34 H18 N4 -","1","0.5","","O'Connor, Helen M; Coletta, Marco; Etcheverry-Berríos, Alvaro; Nichol, Gary S.; Brechin, Euan K.; Lusby, Paul J.","Kinetic selection of Pd<sub>4</sub>L<sub>2</sub> metallocyclic and Pd<sub>6</sub>L<sub>3</sub> trigonal prismatic assemblies.","Chemical communications (Cambridge, England)","2020","56","79","11799","11802","10.1039/d0cc05311b","","x-ray","1.54184","CuKα","","0.0867","0.0808","","","0.227","0.2339","","","","","","1.068","","","","has coordinates,has disorder","260642","2021-01-07","04:41:06",""
"7127113","11.208","0.0011","21.44","0.002","29.333","0.003","90","","93.016","0.003","90","","7038.9","1.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C116 H144 F24 N16 O30 Pd4 S8 -","- C54 H62 F12 N8 O14 Pd2 S4 -","- C216 H248 F48 N32 O56 Pd8 S16 -","4","1","","O'Connor, Helen M; Coletta, Marco; Etcheverry-Berríos, Alvaro; Nichol, Gary S.; Brechin, Euan K.; Lusby, Paul J.","Kinetic selection of Pd<sub>4</sub>L<sub>2</sub> metallocyclic and Pd<sub>6</sub>L<sub>3</sub> trigonal prismatic assemblies.","Chemical communications (Cambridge, England)","2020","56","79","11799","11802","10.1039/d0cc05311b","","x-ray","0.6889","Synchrotron","","0.0796","0.0664","","","0.2143","0.2287","","","","","","1.131","","","","has coordinates,has disorder","260642","2021-01-07","04:41:06",""
"7127114","18.6651","0.0016","51.156","0.004","74.909","0.006","90","","90","","90","","71525","10","100","","100","","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C552 H418 F72 N24 O72 P24 Pd12 S24 -","- C544 H418 F48 N24 O48 P24 Pd12 S16 -","- C2176 H1672 F192 N96 O192 P96 Pd48 S64 -","4","0.5","","O'Connor, Helen M; Coletta, Marco; Etcheverry-Berríos, Alvaro; Nichol, Gary S.; Brechin, Euan K.; Lusby, Paul J.","Kinetic selection of Pd<sub>4</sub>L<sub>2</sub> metallocyclic and Pd<sub>6</sub>L<sub>3</sub> trigonal prismatic assemblies.","Chemical communications (Cambridge, England)","2020","56","79","11799","11802","10.1039/d0cc05311b","","x-ray","0.6889","Synchrotron","","0.0775","0.0623","","","0.1712","0.1863","","","","","","1.049","","","","has coordinates,has disorder","260642","2021-01-07","04:41:06",""
"7127115","6.6973","0.0001","6.6973","0.0001","18.5548","0.0003","90","","90","","120","","720.753","0.019","293","2","293","2","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- Cu3 F N O10 Pb Se2 -","- Cu3 F N O10 Pb Se2 -","- Cu9 F3 N3 O30 Pb3 Se6 -","3","0.166667","","Zhang, Mengsi; Zhao, Zhiying; Zhang, Wanwan; Li, Jinyang; Huang, Xiaoying; He, Zhangzhen","Pb(OF)Cu<sub>3</sub>(SeO<sub>3</sub>)<sub>2</sub>(NO<sub>3</sub>): a selenite fluoride nitrate with a breathing kagomé lattice.","Chemical communications (Cambridge, England)","2020","56","80","11965","11968","10.1039/d0cc03684f","","x-ray","0.71073","MoKα","","0.0146","0.0146","","","0.0355","0.0355","","","","","","1.102","","","","has coordinates","260664","2021-01-07","04:47:52",""
"7127116","8.2431","0.0005","26.7192","0.0016","12.0799","0.0008","90","","100.315","0.002","90","","2617.6","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Br3 N3 -","- C27 H26 Br3 N3 -","- C108 H104 Br12 N12 -","4","1","","B S, Anju; Bhattacharjee, Rameswar; Gupta, Shourya; Ahammad, Soniya; Datta, Ayan; Kundu, Subrata","Deoxygenation of nitrosoarene by N-heterocyclic carbene (NHC): an elusive Breslow-type intermediate bridging carbene and nitrene.","Chemical communications (Cambridge, England)","2020","56","81","12166","12169","10.1039/d0cc05192f","","","0.71073","MoKα","","0.0894","0.044","","","0.0791","0.0912","","","","","","1.007","","","","has coordinates","260622","2021-01-07","04:36:27",""
"7127117","8.5318","0.0001","9.341","0.0001","18.0021","0.0002","90","","90","","90","","1434.69","0.03","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Li, Yan; Cheng, Xiu-Fen; Fei, Fan; Wu, Tian-Rui; Bian, Kang-Jie; Zhou, Xin; Wang, Xi-Sheng","Palladium(II)-catalyzed asymmetric C-H carbonylation to diverse isoquinoline derivatives bearing all-carbon quaternary stereocenters.","Chemical communications (Cambridge, England)","2020","56","78","11605","11608","10.1039/d0cc05219a","","","1.54184","CuKα","","0.0366","0.0356","","","0.0916","0.0929","","","","","","1.076","","","","has coordinates","257226","2020-10-21","18:00:00",""
"7127118","7.8485","0.0001","12.7347","0.0002","9.0832","0.0001","90","","90.438","0.001","90","","907.82","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C40 H42 N2 O4 -","2","1","","Li, Yan; Cheng, Xiu-Fen; Fei, Fan; Wu, Tian-Rui; Bian, Kang-Jie; Zhou, Xin; Wang, Xi-Sheng","Palladium(II)-catalyzed asymmetric C-H carbonylation to diverse isoquinoline derivatives bearing all-carbon quaternary stereocenters.","Chemical communications (Cambridge, England)","2020","56","78","11605","11608","10.1039/d0cc05219a","","","1.54184","CuKα","","0.039","0.0388","","","0.1096","0.1103","","","","","","1.026","","","","has coordinates","257226","2020-10-21","18:00:00",""
"7127119","7.87176","0.00011","12.32287","0.00017","16.6389","0.0003","90","","90","","90","","1614.02","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Li, Yan; Cheng, Xiu-Fen; Fei, Fan; Wu, Tian-Rui; Bian, Kang-Jie; Zhou, Xin; Wang, Xi-Sheng","Palladium(II)-catalyzed asymmetric C-H carbonylation to diverse isoquinoline derivatives bearing all-carbon quaternary stereocenters.","Chemical communications (Cambridge, England)","2020","56","78","11605","11608","10.1039/d0cc05219a","","","1.54184","CuKα","","0.0464","0.0436","","","0.1289","0.1331","","","","","","1.066","","","","has coordinates","257226","2020-10-21","18:00:00",""
"7127120","7.3742","0.0001","8.5904","0.0001","12.0878","0.0001","90","","101.002","0.001","90","","751.656","0.015","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C34 H34 N2 O6 -","2","1","","Li, Yan; Cheng, Xiu-Fen; Fei, Fan; Wu, Tian-Rui; Bian, Kang-Jie; Zhou, Xin; Wang, Xi-Sheng","Palladium(II)-catalyzed asymmetric C-H carbonylation to diverse isoquinoline derivatives bearing all-carbon quaternary stereocenters.","Chemical communications (Cambridge, England)","2020","56","78","11605","11608","10.1039/d0cc05219a","","","1.54184","CuKα","","0.0608","0.0606","","","0.1325","0.1331","","","","","","1.248","","","","has coordinates","257226","2020-10-21","18:00:00",""
"7127121","28.3914","0.0011","12.6728","0.0004","15.826","0.0006","90","","98.238","0.001","90","","5635.4","0.4","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C70 H58 -","- C70 H58 -","- C280 H232 -","4","0.5","","Sharma, Himanshu; Sharma, Priyank Kumar; Das, Soumyajit","Revisiting indeno[2,1-<i>c</i>]fluorene synthesis while exploring the fully conjugated <i>s</i>-indaceno[2,1-<i>c</i>:6,5-<i>c</i>']difluorene.","Chemical communications (Cambridge, England)","2020","56","76","11319","11322","10.1039/d0cc04418k","","","0.71073","MoKα","","0.093","0.0616","","","0.1574","0.1737","","","","","","1.022","","","","has coordinates","257252","2020-10-21","18:00:00",""
"7127122","12.0902","0.0002","10.2573","0.0002","17.8407","0.0003","90","","91.309","0.001","90","","2211.9","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 B10 -","- C23 H26 B10 -","- C92 H104 B40 -","4","1","","Feuerstein, Wolfram; Breher, Frank","Synthetic access to a phosphorescent non-palindromic pincer complex of palladium by a double oxidative addition - comproportionation sequence.","Chemical communications (Cambridge, England)","2020","56","83","12589","12592","10.1039/d0cc04065g","","","0.71073","MoKα","","0.0471","0.0414","","","0.1115","0.1151","","","","","","1.046","","","","has coordinates","260614","2021-01-07","04:34:39",""
"7127123","9.282","0.005","12.71","0.007","14.038","0.007","90","","90.89","0.04","90","","1655.9","1.5","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 Ni -","- C22 H16 N2 Ni -","- C88 H64 N8 Ni4 -","4","1","","Feuerstein, Wolfram; Breher, Frank","Synthetic access to a phosphorescent non-palindromic pincer complex of palladium by a double oxidative addition - comproportionation sequence.","Chemical communications (Cambridge, England)","2020","56","83","12589","12592","10.1039/d0cc04065g","","","0.71073","MoKα","","0.0719","0.0406","","","0.1008","0.1119","","","","","","1.024","","","","has coordinates","260614","2021-01-07","04:34:39",""
"7127124","10.298","0.01","10.352","0.01","17.615","0.017","105.643","0.016","103.514","0.015","90.658","0.014","1753","3","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C58 H42 Co4 N6 O18 -","- C58 H42 Co4 N6 O18 -","- C58 H42 Co4 N6 O18 -","1","1","","Gao, Yajun; Zhang, Mingxing; Chen, Cong; Zhang, Yong; Gu, Yuming; Wang, Qian; Zhang, Wenwei; Pan, Yi; Ma, Jing; Bai, Junfeng","A low symmetry cluster meets a low symmetry ligand to sharply boost MOF thermal stability.","Chemical communications (Cambridge, England)","2020","56","80","11985","11988","10.1039/d0cc04543h","","","0.71073","MoKα","","0.1179","0.0907","","","0.2318","0.261","","","","","","1.035","","","","has coordinates","260663","2021-01-07","04:47:46",""
"7127125","14.3091","0.0015","14.5181","0.0015","17.5565","0.0018","90","","104.706","0.009","90","","3527.7","0.6","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H14 Co2 N2 O8 -","- C26 H14 Co2 N2 O8 -","- C104 H56 Co8 N8 O32 -","4","1","","Gao, Yajun; Zhang, Mingxing; Chen, Cong; Zhang, Yong; Gu, Yuming; Wang, Qian; Zhang, Wenwei; Pan, Yi; Ma, Jing; Bai, Junfeng","A low symmetry cluster meets a low symmetry ligand to sharply boost MOF thermal stability.","Chemical communications (Cambridge, England)","2020","56","80","11985","11988","10.1039/d0cc04543h","","","1.34139","GaKα","","0.092","0.0492","","","0.0984","0.1156","","","","","","0.884","","","","has coordinates","260663","2021-01-07","04:47:46",""
"7127126","10.696","0.002","13.078","0.003","12.46","0.002","90","0.03","108.79","0.03","90","0.03","1650","0.6","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Co N O4 -","- C13 H7 Co N O4 -","- C52 H28 Co4 N4 O16 -","4","1","","Gao, Yajun; Zhang, Mingxing; Chen, Cong; Zhang, Yong; Gu, Yuming; Wang, Qian; Zhang, Wenwei; Pan, Yi; Ma, Jing; Bai, Junfeng","A low symmetry cluster meets a low symmetry ligand to sharply boost MOF thermal stability.","Chemical communications (Cambridge, England)","2020","56","80","11985","11988","10.1039/d0cc04543h","","","1.34139","GaKα","","0.0388","0.0336","","","0.0817","0.0839","","","","","","1.015","","","","has coordinates","260663","2021-01-07","04:47:46",""
"7127127","12.8008","0.0006","12.0522","0.0008","28.7469","0.0016","90","","98.444","0.005","90","","4386.9","0.4","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H56 I6 O7 Sm2 -","- C28 H56 I6 O7 Sm2 -","- C112 H224 I24 O28 Sm8 -","4","0.5","","Marks, Walker R.; Baumgardner, Douglas F.; Reinheimer, Eric W.; Gilbertson, John D.","Complete denitrification of nitrate and nitrite to N<sub>2</sub> gas by samarium(II) iodide.","Chemical communications (Cambridge, England)","2020","56","77","11441","11444","10.1039/d0cc04115g","","x-ray","0.71073","MoKα","","0.0408","0.0375","","","0.0973","0.1008","","","","","","1.126","","","","has coordinates","257240","2020-10-21","18:00:00",""
"7127128","12.8578","0.0004","14.8418","0.0003","14.8987","0.0005","90","","90","","90","","2843.16","0.14","100","0.1","100","0.1","","","","","","","","4","P n n m","-P 2 2n","58","","","","- H68 I8 O41 Sm6 -","- H68 I8 O41 Sm6 -","- H136 I16 O82 Sm12 -","2","0.25","","Marks, Walker R.; Baumgardner, Douglas F.; Reinheimer, Eric W.; Gilbertson, John D.","Complete denitrification of nitrate and nitrite to N<sub>2</sub> gas by samarium(II) iodide.","Chemical communications (Cambridge, England)","2020","56","77","11441","11444","10.1039/d0cc04115g","","x-ray","0.71073","MoKα","","0.0449","0.0443","","","0.09","0.0915","","","","","","1.373","","","","has coordinates,has disorder","257240","2020-10-21","18:00:00",""
"7127129","14.2715","0.0004","22.8583","0.0006","14.2693","0.0003","90","","90.739","0.002","90","","4654.6","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37.6 H99.4 I8 N2 O29 Sm6 -","- C37.6 H99.4 I8 N2 O29 Sm6 -","- C75.2 H198.8 I16 N4 O58 Sm12 -","2","0.5","","Marks, Walker R.; Baumgardner, Douglas F.; Reinheimer, Eric W.; Gilbertson, John D.","Complete denitrification of nitrate and nitrite to N<sub>2</sub> gas by samarium(II) iodide.","Chemical communications (Cambridge, England)","2020","56","77","11441","11444","10.1039/d0cc04115g","","x-ray","0.71073","MoKα","","0.0619","0.058","","","0.1282","0.1299","","","","","","1.263","","","","has coordinates,has disorder","257240","2020-10-21","18:00:00",""
"7127130","10.3988","0.0009","11.976","0.0009","12.1316","0.0008","86.151","0.006","70.363","0.007","65.045","0.008","1285.2","0.2","113","2","113.15","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C60 H72 N8 O4 -","4","2","","Niu, Kaikai; Song, Lingyun; Hao, Yanke; Liu, Yuxiu; Wang, Qingmin","Electrochemical decarboxylative C3 alkylation of quinoxalin-2(1<i>H</i>)-ones with <i>N</i>-hydroxyphthalimide esters.","Chemical communications (Cambridge, England)","2020","56","78","11673","11676","10.1039/d0cc05391k","","x-ray","0.71073","MoKα","","0.0521","0.0433","","","0.1099","0.1162","","","","","","1.027","","","","has coordinates","257230","2020-10-21","18:00:00",""
"7127131","9.8911","0.0002","16.0352","0.0004","19.2371","0.0005","88.17","0.002","76.903","0.002","73.041","0.002","2840.61","0.12","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C94 H150 N4 Si16 -","- C94 H150 N4 Si16 -","- C94 H150 N4 Si16 -","1","0.5","","Mateos-Martín, Javier; Carini, Marco; Melle-Franco, Manuel; Mateo-Alonso, Aurelio","Increasing and dispersing strain in pyrene-fused azaacenes.","Chemical communications (Cambridge, England)","2020","56","77","11457","11460","10.1039/d0cc04735j","","x-ray","1.54184","CuKα","","0.0556","0.0477","","","0.1329","0.1419","","","","","","1.035","","","","has coordinates,has disorder","257238","2020-10-21","18:00:00",""
"7127132","14.4193","0.0009","15.3229","0.0007","18.272","0.0006","90","","93.967","0.004","90","","4027.4","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H34 O4 Si2 -","- C52 H34 O4 Si2 -","- C208 H136 O16 Si8 -","4","1","","Mateos-Martín, Javier; Carini, Marco; Melle-Franco, Manuel; Mateo-Alonso, Aurelio","Increasing and dispersing strain in pyrene-fused azaacenes.","Chemical communications (Cambridge, England)","2020","56","77","11457","11460","10.1039/d0cc04735j","","x-ray","1.54184","CuKα","","0.1001","0.0692","","","0.1897","0.2211","","","","","","1.033","","","","has coordinates,has disorder","257238","2020-10-21","18:00:00",""
"7127133","43.6057","0.0012","8.5663","0.0002","33.257","0.0009","90","","101.568","0.003","90","","12170.5","0.6","150.01","0.1","150.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C90 H158 N4 Si18 -","- C90 H158 N4 Si18 -","- C360 H632 N16 Si72 -","4","0.5","","Mateos-Martín, Javier; Carini, Marco; Melle-Franco, Manuel; Mateo-Alonso, Aurelio","Increasing and dispersing strain in pyrene-fused azaacenes.","Chemical communications (Cambridge, England)","2020","56","77","11457","11460","10.1039/d0cc04735j","","x-ray","1.54184","CuKα","","0.1138","0.0933","","","0.2494","0.2693","","","","","","1.023","","","","has coordinates,has disorder","257238","2020-10-21","18:00:00",""
"7127134","22.1092","0.0012","22.318","0.0013","29.0414","0.0013","74.547","0.004","79.773","0.004","71.053","0.005","12998.3","1.3","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C230 H308 N8 Si36 -","- C230 H308 N8 Si36 -","- C460 H616 N16 Si72 -","2","1","","Mateos-Martín, Javier; Carini, Marco; Melle-Franco, Manuel; Mateo-Alonso, Aurelio","Increasing and dispersing strain in pyrene-fused azaacenes.","Chemical communications (Cambridge, England)","2020","56","77","11457","11460","10.1039/d0cc04735j","","x-ray","1.54184","CuKα","","0.2193","0.1286","","","0.3079","0.4078","","","","","","1.02","","","","has coordinates","257238","2020-10-21","18:00:00",""
"7127135","16.1373","0.0004","17.5042","0.0004","21.114","0.0004","90","","90","","90","","5964.1","0.2","150.15","","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H76 I4 O9 Sm2 -","- C54 H76 I4 O9 Sm2 -","- C216 H304 I16 O36 Sm8 -","4","1","","Jaoul, Arnaud; Yang, Yan; Casaretto, Nicolas; Clavaguéra, Carine; Maron, Laurent; Nocton, Grégory","Atom economical coupling of benzophenone and N-heterocyclic aromatics with SmI<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","79","11875","11878","10.1039/d0cc05164k","","","0.71069","MoKα","","0.0573","0.0538","","","0.1331","0.1374","","","","","","1.048","","","","has coordinates,has disorder","260643","2021-01-07","04:41:27",""
"7127136","11.6323","0.0009","12.3012","0.0009","24.5249","0.0018","90","","91.769","0.002","90","","3507.6","0.5","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 I2 N5 O Sm -","- C38 H30 I2 N5 O Sm -","- C152 H120 I8 N20 O4 Sm4 -","4","1","","Jaoul, Arnaud; Yang, Yan; Casaretto, Nicolas; Clavaguéra, Carine; Maron, Laurent; Nocton, Grégory","Atom economical coupling of benzophenone and N-heterocyclic aromatics with SmI<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","79","11875","11878","10.1039/d0cc05164k","","","0.71073","MoKα","","0.0901","0.0682","","","0.1773","0.1934","","","","","","1.045","","","","has coordinates,has disorder","260643","2021-01-07","04:41:27",""
"7127137","15.8733","0.0003","16.1883","0.0003","19.8595","0.0005","90","","103.03","0.001","90","","4971.74","0.18","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H47 I2 N8 O Sm -","- C55 H47 I2 N8 O Sm -","- C220 H188 I8 N32 O4 Sm4 -","4","2","","Jaoul, Arnaud; Yang, Yan; Casaretto, Nicolas; Clavaguéra, Carine; Maron, Laurent; Nocton, Grégory","Atom economical coupling of benzophenone and N-heterocyclic aromatics with SmI<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","79","11875","11878","10.1039/d0cc05164k","","","0.71069","MoKα","","0.1155","0.0981","","","0.2045","0.2161","","","","","","1.136","","","","has coordinates","260643","2021-01-07","04:41:27",""
"7127138","9.2854","0.001","15.4014","0.0014","24.686","0.003","90","","100.528","0.004","90","","3470.9","0.6","150","2","149.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 I2 N4 O Sm -","- C33 H29 I2 N4 O Sm -","- C132 H116 I8 N16 O4 Sm4 -","4","1","","Jaoul, Arnaud; Yang, Yan; Casaretto, Nicolas; Clavaguéra, Carine; Maron, Laurent; Nocton, Grégory","Atom economical coupling of benzophenone and N-heterocyclic aromatics with SmI<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","79","11875","11878","10.1039/d0cc05164k","","","0.71073","MoKα","","0.0594","0.042","","","0.0828","0.0882","","","","","","1.052","","","","has coordinates","260643","2021-01-07","04:41:27",""
"7127139","17.8482","0.001","18.0365","0.001","12.5808","0.0007","90","","117.094","0.002","90","","3605.6","0.4","150","0.1","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C200 H144 N16 O8 -","8","1","","Jaoul, Arnaud; Yang, Yan; Casaretto, Nicolas; Clavaguéra, Carine; Maron, Laurent; Nocton, Grégory","Atom economical coupling of benzophenone and N-heterocyclic aromatics with SmI<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","79","11875","11878","10.1039/d0cc05164k","","","0.71069","MoKα","","0.0625","0.0477","","","0.1203","0.1315","","","","","","1.05","","","","has coordinates","260643","2021-01-07","04:41:27",""
"7127140","8.1307","0.0004","14.6655","0.0008","11.5353","0.0006","90","","95.749","0.003","90","","1368.56","0.12","150","0.1","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Jaoul, Arnaud; Yang, Yan; Casaretto, Nicolas; Clavaguéra, Carine; Maron, Laurent; Nocton, Grégory","Atom economical coupling of benzophenone and N-heterocyclic aromatics with SmI<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","79","11875","11878","10.1039/d0cc05164k","","","0.71069","MoKα","","0.0643","0.0456","","","0.1093","0.1225","","","","","","1.047","","","","has coordinates","260643","2021-01-07","04:41:27",""
"7127141","11.4446","0.0005","11.9484","0.0006","14.6103","0.0007","78.322","0.002","81.909","0.001","84.338","0.001","1931.97","0.16","150","0.1","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H31 I2 N6 O Sm -","- C41 H31 I2 N6 O Sm -","- C82 H62 I4 N12 O2 Sm2 -","2","1","","Jaoul, Arnaud; Yang, Yan; Casaretto, Nicolas; Clavaguéra, Carine; Maron, Laurent; Nocton, Grégory","Atom economical coupling of benzophenone and N-heterocyclic aromatics with SmI<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","79","11875","11878","10.1039/d0cc05164k","","","0.71069","MoKα","","0.0218","0.0195","","","0.0472","0.0486","","","","","","1.031","","","","has coordinates","260643","2021-01-07","04:41:27",""
"7127142","8.1811","0.0005","17.8856","0.0012","21.2028","0.0014","90","","90","","90","","3102.5","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Br F3 O3 -","- C14 H14 Br F3 O3 -","- C112 H112 Br8 F24 O24 -","8","2","","Murata, Ryuichi; Matsumoto, Akira; Asano, Keisuke; Matsubara, Seijiro","Desymmetrization of gem-diols via water-assisted organocatalytic enantio- and diastereoselective cycloetherification.","Chemical communications (Cambridge, England)","2020","56","82","12335","12338","10.1039/d0cc05509c","","","0.71075","MoKα","","","0.0528","","","","0.1186","","","","","","1.018","","","","has coordinates","260723","2021-01-07","05:01:23",""
"7127143","6.382","0.005","14.0024","0.001","15.777","0.01","90","","90","","90","","1409.9","1.4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 Br F3 O2 -","- C14 H12 Br F3 O2 -","- C56 H48 Br4 F12 O8 -","4","1","","Murata, Ryuichi; Matsumoto, Akira; Asano, Keisuke; Matsubara, Seijiro","Desymmetrization of gem-diols via water-assisted organocatalytic enantio- and diastereoselective cycloetherification.","Chemical communications (Cambridge, England)","2020","56","82","12335","12338","10.1039/d0cc05509c","","","0.71075","MoKα","","","0.039","","","","0.0842","","","","","","0.953","","","","has coordinates","260723","2021-01-07","05:01:24",""
"7127144","10.162","0.015","19.1","0.03","8.941","0.013","90","","109.78","0.018","90","","1633","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Zhang, Xiao-Wen; Zhang, Hui; Wang, Hu-Chong; Zhu, Ming-Hui; Cong, Hengjiang; Liu, Wen-Bo","Pd-catalyzed arylation/aza-Michael addition cascade to C2-spiroindolines and azabicyclo[3.2.2]nonanones.","Chemical communications (Cambridge, England)","2020","56","80","12013","12016","10.1039/d0cc04935b","","","0.71073","MoKα","","0.0581","0.0484","","","0.1261","0.1373","","","","","","1.04","","","","has coordinates","260662","2021-01-07","04:47:39",""
"7127145","13.7872","0.0005","16.2182","0.0008","9.4765","0.0004","90","","96.759","0.003","90","","2104.25","0.16","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H27 N O -","- C27 H27 N O -","- C108 H108 N4 O4 -","4","1","","Zhang, Xiao-Wen; Zhang, Hui; Wang, Hu-Chong; Zhu, Ming-Hui; Cong, Hengjiang; Liu, Wen-Bo","Pd-catalyzed arylation/aza-Michael addition cascade to C2-spiroindolines and azabicyclo[3.2.2]nonanones.","Chemical communications (Cambridge, England)","2020","56","80","12013","12016","10.1039/d0cc04935b","","","1.54178","CuKα","","0.0411","0.0403","","","0.105","0.1063","","","","","","1.049","","","","has coordinates","260662","2021-01-07","04:47:39",""
"7127146","5.7668","0.0015","11.743","0.003","28.998","0.007","95.169","0.006","90.067","0.006","102.805","0.007","1906.7","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H30 Cl O P -","- C21 H30 Cl O P -","- C84 H120 Cl4 O4 P4 -","4","2","","Shintani, Ryo; Ohzono, Ayase; Shirota, Kentaro","Phosphinative cyclopropanation of allyl phosphates with lithium phosphides.","Chemical communications (Cambridge, England)","2020","56","79","11851","11854","10.1039/d0cc04854b","","","0.71075","MoKα","","0.0731","0.0623","","","0.1669","0.1708","","","","","","1.008","","","","has coordinates","260644","2021-01-07","04:41:35",""
"7127147","11.4617","0.0004","4.2206","0.0001","19.5436","0.0006","90","","90.441","0.003","90","","945.4","0.05","80","2","80","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 Cu2 I2 N2 -","- C5 H6 Cu2 I2 N2 -","- C20 H24 Cu8 I8 N8 -","4","1","","Wu, Ting; Jiang, Shenlong; Samanta, Pabitra Narayan; Xie, Yangbin; Li, Jipeng; Wang, Xiaoling; Devashis, Majumdar; Gu, Xiangwei; Wang, Yusong; Huang, Wei; Zhang, Qun; Leszczynski, Jerzy; Wu, Dayu","Negative thermal quenching of photoluminescence in a copper-organic framework emitter.","Chemical communications (Cambridge, England)","2020","56","80","12057","12060","10.1039/d0cc04788k","","","0.71073","MoKα","","0.0311","0.0286","","","0.0737","0.075","","","","","","1.049","","","","has coordinates","260660","2021-01-07","04:46:44",""
"7127148","11.4724","0.0004","4.2238","0.0001","19.5467","0.0006","90","","90.445","0.003","90","","947.15","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 Cu2 I2 N2 -","- C5 H6 Cu2 I2 N2 -","- C20 H24 Cu8 I8 N8 -","4","1","","Wu, Ting; Jiang, Shenlong; Samanta, Pabitra Narayan; Xie, Yangbin; Li, Jipeng; Wang, Xiaoling; Devashis, Majumdar; Gu, Xiangwei; Wang, Yusong; Huang, Wei; Zhang, Qun; Leszczynski, Jerzy; Wu, Dayu","Negative thermal quenching of photoluminescence in a copper-organic framework emitter.","Chemical communications (Cambridge, England)","2020","56","80","12057","12060","10.1039/d0cc04788k","","","0.71073","MoKα","","0.0436","0.0411","","","0.1092","0.1115","","","","","","1.043","","","","has coordinates","260660","2021-01-07","04:46:45",""
"7127149","11.538","0.0006","4.2653","0.0002","19.7023","0.0013","90","","90.478","0.005","90","","969.58","0.09","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 Cu2 I2 N2 -","- C5 H6 Cu2 I2 N2 -","- C20 H24 Cu8 I8 N8 -","4","1","","Wu, Ting; Jiang, Shenlong; Samanta, Pabitra Narayan; Xie, Yangbin; Li, Jipeng; Wang, Xiaoling; Devashis, Majumdar; Gu, Xiangwei; Wang, Yusong; Huang, Wei; Zhang, Qun; Leszczynski, Jerzy; Wu, Dayu","Negative thermal quenching of photoluminescence in a copper-organic framework emitter.","Chemical communications (Cambridge, England)","2020","56","80","12057","12060","10.1039/d0cc04788k","","","0.71073","MoKα","","0.1673","0.1505","","","0.3532","0.39","","","","","","1.578","","","","has coordinates","260660","2021-01-07","04:46:45",""
"7127150","11.4918","0.0004","4.232","0.0001","19.5567","0.0007","90","","90.451","0.003","90","","951.08","0.05","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 Cu2 I2 N2 -","- C5 H6 Cu2 I2 N2 -","- C20 H24 Cu8 I8 N8 -","4","1","","Wu, Ting; Jiang, Shenlong; Samanta, Pabitra Narayan; Xie, Yangbin; Li, Jipeng; Wang, Xiaoling; Devashis, Majumdar; Gu, Xiangwei; Wang, Yusong; Huang, Wei; Zhang, Qun; Leszczynski, Jerzy; Wu, Dayu","Negative thermal quenching of photoluminescence in a copper-organic framework emitter.","Chemical communications (Cambridge, England)","2020","56","80","12057","12060","10.1039/d0cc04788k","","","0.71073","MoKα","","0.0389","0.0363","","","0.0911","0.0927","","","","","","1.08","","","","has coordinates","260660","2021-01-07","04:46:45",""
"7127151","6.48035","0.00014","17.3087","0.0003","19.7454","0.0004","90","","90","","90","","2214.77","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 B O4 -","- C24 H29 B O4 -","- C96 H116 B4 O16 -","4","1","","Sun, Xiao; Gu, Peiming; Qin, Jiao; Su, Yan","Rhodium-catalysed diastereo- and enantio-selective cyclopropanation of α-boryl styrenes.","Chemical communications (Cambridge, England)","2020","56","82","12379","12382","10.1039/d0cc02549f","","","1.54184","CuKα","","0.0367","0.0344","","","0.0874","0.0893","","","","","","1.048","","","","has coordinates","260719","2021-01-07","05:00:51",""
"7127152","8.9829","0.0006","15.1174","0.0008","20.8813","0.0007","97.411","0.004","94.728","0.004","90.909","0.005","2801.4","0.3","123","","123","","","","","","","","","7","P -1","-P 1","2","","Zn(hfac)2(aH-PyBTM)2","","- C46 H16 Cl16 F12 N2 O4 Zn -","- C46 H16 Cl16 F12 N2 O4 Zn -","- C92 H32 Cl32 F24 N4 O8 Zn2 -","2","1","","Kimura, Shun; Kimura, Shojiro; Nishihara, Hiroshi; Kusamoto, Tetsuro","Excimer emission and magnetoluminescence of radical-based zinc(II) complexes doped in host crystals.","Chemical communications (Cambridge, England)","2020","56","76","11195","11198","10.1039/d0cc04830e","","x-ray","0.71073","MoKα","","0.1285","0.0792","","","0.2202","0.2601","","","","","","1.09","","","","has coordinates,has disorder","257246","2020-10-21","18:00:00",""
"7127153","7.556","0.0003","8.4678","0.0003","13.593","0.0005","90","","96.564","0.002","90","","864.02","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 B2 F12 -","- C16 H10 B2 F12 -","- C32 H20 B4 F24 -","2","0.5","","Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Using the FpXylBH<sub>2</sub>•SMe<sub>2</sub> reagent for the regioselective synthesis of cyclic bis(alkenyl)boranes.","Chemical communications (Cambridge, England)","2020","56","81","12178","12181","10.1039/d0cc05230b","","","1.54178","CuKα","","0.0526","0.0438","","","0.096","0.1","","","","","","1.049","","","","has coordinates","260619","2021-01-07","04:35:39",""
"7127154","18.4614","0.0006","34.6525","0.001","11.8617","0.0004","90","","90","","90","","7588.3","0.4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C32 H50 B2 O2 Si4 -","- C32 H50 B2 O2 Si4 -","- C256 H400 B16 O16 Si32 -","8","0.5","","Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Using the FpXylBH<sub>2</sub>•SMe<sub>2</sub> reagent for the regioselective synthesis of cyclic bis(alkenyl)boranes.","Chemical communications (Cambridge, England)","2020","56","81","12178","12181","10.1039/d0cc05230b","","","0.71073","MoKα","","0.0373","0.0332","","","0.0802","0.0828","","","","","","1.059","","","","has coordinates","260619","2021-01-07","04:35:39",""
"7127155","10.9779","0.0003","13.7265","0.0003","18.8688","0.0004","90","","90","","90","","2843.3","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 B F9 O Si2 -","- C25 H26 B F9 O Si2 -","- C100 H104 B4 F36 O4 Si8 -","4","1","","Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Using the FpXylBH<sub>2</sub>•SMe<sub>2</sub> reagent for the regioselective synthesis of cyclic bis(alkenyl)boranes.","Chemical communications (Cambridge, England)","2020","56","81","12178","12181","10.1039/d0cc05230b","","","1.54178","CuKα","","0.031","0.0291","","","0.0742","0.075","","","","","","1.064","","","","has coordinates,has disorder","260619","2021-01-07","04:35:39",""
"7127156","8.7742","0.0005","9.5777","0.0006","11.1573","0.0007","98.124","0.002","99.074","0.002","113.422","0.002","827.78","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 B2 F12 N2 -","- C34 H28 B2 F12 N2 -","- C34 H28 B2 F12 N2 -","1","0.5","","Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Using the FpXylBH<sub>2</sub>•SMe<sub>2</sub> reagent for the regioselective synthesis of cyclic bis(alkenyl)boranes.","Chemical communications (Cambridge, England)","2020","56","81","12178","12181","10.1039/d0cc05230b","","","0.71073","MoKα","","0.0857","0.0624","","","0.1289","0.1388","","","","","","1.065","","","","has coordinates,has disorder","260619","2021-01-07","04:35:39",""
"7127157","10.311","0.0003","14.3855","0.0005","21.2243","0.0007","90","","103.129","0.001","90","","3065.89","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 B F6 N -","- C35 H34 B F6 N -","- C140 H136 B4 F24 N4 -","4","1","","Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Using the FpXylBH<sub>2</sub>•SMe<sub>2</sub> reagent for the regioselective synthesis of cyclic bis(alkenyl)boranes.","Chemical communications (Cambridge, England)","2020","56","81","12178","12181","10.1039/d0cc05230b","","","0.71073","MoKα","","0.0461","0.0393","","","0.1032","0.1091","","","","","","1.045","","","","has coordinates","260619","2021-01-07","04:35:39",""
"7127158","13.3784","0.0011","14.431","0.0013","16.3141","0.0014","65.319","0.002","66.05","0.002","78.62","0.002","2614","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H54 B2 F12 Si4 -","- C48 H54 B2 F12 Si4 -","- C96 H108 B4 F24 Si8 -","2","1","","Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Using the FpXylBH<sub>2</sub>•SMe<sub>2</sub> reagent for the regioselective synthesis of cyclic bis(alkenyl)boranes.","Chemical communications (Cambridge, England)","2020","56","81","12178","12181","10.1039/d0cc05230b","","","0.71073","MoKα","","0.1128","0.0601","","","0.1404","0.1739","","","","","","1.027","","","","has coordinates,has disorder","260619","2021-01-07","04:35:39",""
"7127159","13.3555","0.0003","31.172","0.0007","11.7335","0.0003","90","","90","","90","","4884.9","0.2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C44 H50 B2 F12 S2 Si4 -","- C44 H50 B2 F12 S2 Si4 -","- C176 H200 B8 F48 S8 Si16 -","4","0.5","","Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Using the FpXylBH<sub>2</sub>•SMe<sub>2</sub> reagent for the regioselective synthesis of cyclic bis(alkenyl)boranes.","Chemical communications (Cambridge, England)","2020","56","81","12178","12181","10.1039/d0cc05230b","","","1.54178","CuKα","","0.0521","0.0413","","","0.0975","0.1035","","","","","","1.056","","","","has coordinates","260619","2021-01-07","04:35:39",""
"7127160","8.7063","0.0004","17.2992","0.001","18.1817","0.0009","90","","93.565","0.003","90","","2733.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 B F6 N -","- C31 H32 B F6 N -","- C124 H128 B4 F24 N4 -","4","1","","Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Using the FpXylBH<sub>2</sub>•SMe<sub>2</sub> reagent for the regioselective synthesis of cyclic bis(alkenyl)boranes.","Chemical communications (Cambridge, England)","2020","56","81","12178","12181","10.1039/d0cc05230b","","","1.54178","CuKα","","0.0994","0.063","","","0.14","0.1599","","","","","","1.033","","","","has coordinates","260619","2021-01-07","04:35:39",""
"7127161","21.4278","0.0011","4.9469","0.0002","15.5164","0.0008","90","","107.158","0.002","90","","1571.56","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-PIT","2 pyrene imine thiol","","- C23 H13 N S -","- C23 H13 N S -","- C92 H52 N4 S4 -","4","1","","Jana, Arijit; Chakraborty, Papri; Dar, Wakeel Ahmed; Chandra, Sourov; Khatun, Esma; Kannan, M. P.; Ras, Robin H. A.; Pradeep, Thalappil","Dual emitting Ag<sub>35</sub> nanocluster protected by 2-pyrene imine thiol.","Chemical communications (Cambridge, England)","2020","56","83","12550","12553","10.1039/d0cc03983g","","","0.71073","MoKα","","0.0888","0.0679","","","0.1488","0.16","","","","","","1.15","","","","has coordinates","260616","2021-01-07","04:34:53",""
"7127162","17.6218","0.0016","36.0338","0.0019","50.356","0.002","90","","90","","90","","31975","4","123","10","123","10","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","[Mn(NCP2)2]","catena-((4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)biphenyl-4-carboxylato)-manganese)","","- C52 H30 Mn N8 O4 -","- C52 H30 Mn N8 O4 -","- C832 H480 Mn16 N128 O64 -","16","0.5","","Setter, Caitlin J.; Price, Michael B.; Conte, Luke; Schmitt, Wolfgang; Batten, Stuart R.; Richardson, Christopher; Hill, Matthew R.; Babarao, Ravichandar; Macreadie, Lauren K.","Mixed donor, phenanthroline photoactive MOFs with favourable CO<sub>2</sub> selectivity.","Chemical communications (Cambridge, England)","2020","56","87","13377","13380","10.1039/d0cc05715k","","","1.54178","CuKα","","0.1638","0.0958","","","0.238","0.2762","","","","","","0.925","","","","has coordinates","260707","2021-01-07","04:59:00",""
"7127163","8.403","0.0017","24.858","0.005","33.616","0.007","90","","90","","90","","7022","2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","[Zn(NCP2)2(O2CH)2]","catena-((4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)biphenyl-4-carboxylato)bis(mu2-methanoato)-di-zinc)","","- C54 H32 N8 O8 Zn2 -","- C54 H32 N8 O8 Zn2 -","- C216 H128 N32 O32 Zn8 -","4","1","","Setter, Caitlin J.; Price, Michael B.; Conte, Luke; Schmitt, Wolfgang; Batten, Stuart R.; Richardson, Christopher; Hill, Matthew R.; Babarao, Ravichandar; Macreadie, Lauren K.","Mixed donor, phenanthroline photoactive MOFs with favourable CO<sub>2</sub> selectivity.","Chemical communications (Cambridge, England)","2020","56","87","13377","13380","10.1039/d0cc05715k","","","0.71073","synchrotron","","0.0842","0.0504","","","0.1316","0.1498","","","","","","0.988","","","","has coordinates","260707","2021-01-07","04:59:00",""
"7127164","14.3753","0.0011","22.1443","0.0017","23.4355","0.0019","100.425","0.003","103.832","0.003","100.857","0.003","6911.6","1","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C78 H79 B Cl2 Dy N5 O2 Si2 -","- C78 H79 B Cl2 Dy N5 O2 Si2 -","- C312 H316 B4 Cl8 Dy4 N20 O8 Si8 -","4","2","","Canaj, Angelos B.; Dey, Sourav; Wilson, Claire; Céspedes, Oscar; Rajaraman, Gopalan; Murrie, Mark","Engineering macrocyclic high performance pentagonal bipyramidal Dy(iii) single-ion magnets.","Chemical communications (Cambridge, England)","2020","56","80","12037","12040","10.1039/d0cc04559d","","","0.71073","MoKα","","0.0881","0.0682","","","0.1824","0.1988","","","","","","1.051","","","","has coordinates,has disorder","260665","2021-01-07","04:48:01",""
"7127165","7.6321","0.0011","10.9503","0.0016","12.4367","0.0018","92.39","0.003","95.911","0.002","100.137","0.003","1015.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 N6 O8 -","- C16 H22 N6 O8 -","- C32 H44 N12 O16 -","2","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.1626","0.0549","","","0.1335","0.1839","","","","","","0.976","","","","has coordinates","298328","2025-03-07","16:31:39",""
"7127166","8.8524","0.0018","10.434","0.002","15.937","0.003","87.131","0.002","87.135","0.002","88.571","0.002","1468","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N6 O14 Yb -","- C21 H27 N6 O14 Yb -","- C42 H54 N12 O28 Yb2 -","2","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.0562","0.0457","","","0.1113","0.1205","","","","","","0.907","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127167","11.8129","0.0002","10.3804","0.0002","6.9487","0.0001","90","","100.27","0.0013","90","","838.42","0.02","173","","172.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 N2 O5 -","- C6 H10 N2 O5 -","- C24 H40 N8 O20 -","4","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.0857","0.0542","","","0.1407","0.1632","","","","","","1.0609","","","","has coordinates","298703","2025-04-03","05:34:20",""
"7127168","9.6712","0.0002","11.3857","0.0003","12.687","0.0003","90","","96.475","0.001","90","","1388.1","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2.25 H2.25 Ho0.25 N0.5 O2.5 -","- C2.25 H2.25 Ho0.25 N0.5 O2.5 -","- C36 H36 Ho4 N8 O40 -","16","4","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.0656","0.0411","","","0.0933","0.1051","","","","","","0.999","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127169","12.0981","0.0019","17.5518","0.0019","18.316","0.002","90","","98.538","0.007","90","","3846.2","0.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H28 Ho N8 O18 -","- C24 H28 Ho N8 O18 -","- C96 H112 Ho4 N32 O72 -","4","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.0902","0.058","","","0.155","0.1747","","","","","","1.083","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127170","12.038","0.005","17.562","0.005","18.345","0.007","90","","98.384","0.005","90","","3837","2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H28 Lu N8 O18 -","- C24 H28 Lu N8 O18 -","- C96 H112 Lu4 N32 O72 -","4","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.052","0.0415","","","0.1176","0.1255","","","","","","1.071","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127171","11.897","0.007","12.988","0.008","14.598","0.011","63.692","0.006","79.555","0.01","74.701","0.007","1945","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H48 N4 O19 Tm -","- C27 N4 O19 Tm -","- C54 N8 O38 Tm2 -","2","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.0511","0.0386","","","0.1102","0.1229","","","","","","0.895","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127172","14.67","0.0013","11.5086","0.001","9.198","0.001","90","","121.404","0.001","90","","1325.4","0.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H7 Er N2 O10.5 -","- C8 H7 Er N2 O10.5 -","- C32 H28 Er4 N8 O42 -","4","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.0254","0.0225","","","0.0517","0.054","","","","","","1.143","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127173","10.023","0.002","17.357","0.004","14.354","0.003","90","","99.312","0.012","90","","2464.2","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Ho2 N4 O20 -","- C16 H14 Ho2 N4 O20 -","- C64 H56 Ho8 N16 O80 -","4","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.1019","0.0517","","","0.1237","0.1504","","","","","","0.957","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127174","12.0002","0.0002","17.5085","0.0003","18.066","0.0004","90","","98.6189","0.0008","90","","3752.9","0.12","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H35 Lu N10 O18 -","- C28 H35 Lu N10 O18 -","- C112 H140 Lu4 N40 O72 -","4","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.0506","0.0367","","","0.0982","0.1099","","","","","","0.739","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127175","12.0526","0.0019","17.5649","0.0019","18.317","0.002","90","","98.558","0.007","90","","3834.6","0.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H28 N8 O18 Tm -","- C24 H28 N8 O18 Tm -","- C96 H112 N32 O72 Tm4 -","4","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.0955","0.0558","","","0.1491","0.1739","","","","","","0.966","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127176","11.6122","0.0001","12.8415","0.0002","14.4646","0.0002","64.182","0.001","80.639","0.001","75.308","0.001","1874.77","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H48 N4 O19 Yb -","- C27 H48 N4 O19 Yb -","- C54 H96 N8 O38 Yb2 -","2","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.0744","0.0489","","","0.1597","0.2008","","","","","","0.748","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127177","12.0684","0.0003","17.5403","0.0004","18.0493","0.0004","90","","98.685","0.001","90","","3776.93","0.15","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H35 N10 O18 Y -","- C28 H35 N10 O18 Y -","- C112 H140 N40 O72 Y4 -","4","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.0873","0.0556","","","0.1408","0.1592","","","","","","0.949","","","","has coordinates","298328","2025-03-07","16:31:39",""
"7127178","22.125","0.009","8.337","0.004","12.839","0.005","90","","90","","90","","2368.2","1.8","93","","93","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C19 H35 Cl2 N2 Ni Rh S2 -","- C19 H35 Cl2 N2 Ni Rh S2 -","- C76 H140 Cl8 N8 Ni4 Rh4 S8 -","4","1","","Ogo, Seiji; Ando, Tatsuya; Minh, Le Tu Thi; Mori, Yuki; Matsumoto, Takahiro; Yatabe, Takeshi; Yoon, Ki-Seok; Sato, Yukio; Hibino, Takashi; Kaneko, Kenji","A NiRhS fuel cell catalyst - lessons from hydrogenase.","Chemical communications (Cambridge, England)","2020","56","79","11787","11790","10.1039/d0cc04789a","","","0.71075","MoKα","","0.0258","0.025","","","0.0549","0.0554","","","","","","1.013","","","","has coordinates","260645","2021-01-07","04:41:50",""
"7127179","15.669","0.006","14.306","0.005","20.014","0.008","90","","90","","90","","4486","3","103","","103","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H36 Cl N2 Ni Rh S2 -","- C19 H36 Cl N2 Ni Rh S2 -","- C152 H288 Cl8 N16 Ni8 Rh8 S16 -","8","1","","Ogo, Seiji; Ando, Tatsuya; Minh, Le Tu Thi; Mori, Yuki; Matsumoto, Takahiro; Yatabe, Takeshi; Yoon, Ki-Seok; Sato, Yukio; Hibino, Takashi; Kaneko, Kenji","A NiRhS fuel cell catalyst - lessons from hydrogenase.","Chemical communications (Cambridge, England)","2020","56","79","11787","11790","10.1039/d0cc04789a","","","0.71075","MoKα","","0.1104","0.0896","","","0.1807","0.1919","","","","","","1.22","","","","has coordinates","260645","2021-01-07","04:41:51",""
"7127180","6.6359","0.0009","7.5137","0.001","34.018","0.005","90","","90","","90","","1696.1","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 B P -","- C17 H24 B P -","- C68 H96 B4 P4 -","4","1","","Wang, Cuiying; Yue, Chang-Duo; Yuan, Jia; Zheng, Jia-Lian; Zhang, Ying; Yu, Hong; Chen, Jian; Meng, Sixuan; Yu, Yang; Yu, Guang-Ao; Che, Chi-Ming","Synthesis of P-chiral phosphine compounds by palladium-catalyzed C-P coupling reactions.","Chemical communications (Cambridge, England)","2020","56","79","11775","11778","10.1039/d0cc05340f","","","0.71073","MoKα","","0.0603","0.0586","","","0.1426","0.143","","","","","","1.248","","","","has coordinates","260641","2021-01-07","04:40:37",""
"7127181","11.2902","0.0016","12.3392","0.0018","13.6341","0.0019","90","","90","","90","","1899.4","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 B P -","- C20 H28 B P -","- C80 H112 B4 P4 -","4","1","","Wang, Cuiying; Yue, Chang-Duo; Yuan, Jia; Zheng, Jia-Lian; Zhang, Ying; Yu, Hong; Chen, Jian; Meng, Sixuan; Yu, Yang; Yu, Guang-Ao; Che, Chi-Ming","Synthesis of P-chiral phosphine compounds by palladium-catalyzed C-P coupling reactions.","Chemical communications (Cambridge, England)","2020","56","79","11775","11778","10.1039/d0cc05340f","","","0.71073","MoKα","","0.041","0.0358","","","0.0948","0.1017","","","","","","1.078","","","","has coordinates","260641","2021-01-07","04:40:37",""
"7127182","14.9903","0.0009","5.9477","0.0004","16.5251","0.0015","90","","110.467","0.004","90","","1380.34","0.18","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-{[(Phenylsulfanyl)methyl]sulfanyl}naphthalene","","- C17 H14 S2 -","- C17 H14 S2 -","- C68 H56 S8 -","4","1","","Ielo, Laura; Pillari, Veronica; Gajic, Natalie; Holzer, Wolfgang; Pace, Vittorio","Straightforward chemoselective access to unsymmetrical dithioacetals through a thiosulfonate homologation-nucleophilic substitution sequence.","Chemical communications (Cambridge, England)","2020","56","82","12395","12398","10.1039/d0cc04896h","","x-ray","0.71073","MoKα","","0.0414","0.0324","","","0.0722","0.0776","","","","","","1.052","","","","has coordinates","260718","2021-01-07","05:00:44",""
"7127183","9.5155","0.0011","4.8412","0.0004","13.9736","0.0018","90","","96.436","0.005","90","","639.66","0.12","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","2-{[(Phenylsulfanyl)methyl]sulfanyl}-1,3-benzoxazole","","- C14 H11 N O S2 -","- C14 H11 N O S2 -","- C28 H22 N2 O2 S4 -","2","1","","Ielo, Laura; Pillari, Veronica; Gajic, Natalie; Holzer, Wolfgang; Pace, Vittorio","Straightforward chemoselective access to unsymmetrical dithioacetals through a thiosulfonate homologation-nucleophilic substitution sequence.","Chemical communications (Cambridge, England)","2020","56","82","12395","12398","10.1039/d0cc04896h","","x-ray","0.71073","MoKα","","0.0423","0.0303","","","0.0555","0.068","","","","","","1.148","","","","has coordinates","260718","2021-01-07","05:00:45",""
"7127184","16.4219","0.0005","7.1899","0.0002","16.4782","0.0007","90","","118.374","0.001","90","","1711.87","0.1","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1',1''-({[(Methylsulfanyl)methyl]sulfanyl}methanetriyl)tribenzene","","- C21 H20 S2 -","- C21 H20 S2 -","- C84 H80 S8 -","4","1","","Ielo, Laura; Pillari, Veronica; Gajic, Natalie; Holzer, Wolfgang; Pace, Vittorio","Straightforward chemoselective access to unsymmetrical dithioacetals through a thiosulfonate homologation-nucleophilic substitution sequence.","Chemical communications (Cambridge, England)","2020","56","82","12395","12398","10.1039/d0cc04896h","","x-ray","0.71073","MoKα","","0.0335","0.0287","","","0.0702","0.0732","","","","","","1.069","","","","has coordinates","260718","2021-01-07","05:00:45",""
"7127185","19.6562","0.0004","28.6975","0.0005","21.2232","0.0004","90","","90","","90","","11971.7","0.4","150","0.1","150","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C214 H282 Au10 O22 S2 -","- C214 H282 Au10 O22 S2 -","- C428 H564 Au20 O44 S4 -","2","0.5","","Xu, Man-Man; Jia, Tong-Tong; Li, Bingjie; Ma, Wang; Chen, Xiaoyuan; Zhao, Xueli; Zang, Shuang-Quan","Tuning the properties of atomically precise gold nanoclusters for biolabeling and drug delivery.","Chemical communications (Cambridge, England)","2020","56","62","8766","8769","10.1039/d0cc03498c","","x-ray","0.71073","MoKα","","0.076","0.046","","","0.1064","0.1138","","","","","","1.093","","","","has coordinates","255895","2020-10-21","18:00:00",""
"7127186","12.18","0.002","15.906","0.003","33.211","0.007","90","","93.15","0.03","90","","6424","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H59 Cl11 N8 O8 Pd2 -","- C53 H59 Cl11 N8 O8 Pd2 -","- C212 H236 Cl44 N32 O32 Pd8 -","4","1","","Scattolin, Thomas; Bortolamiol, Enrica; Palazzolo, Stefano; Caligiuri, Isabella; Perin, Tiziana; Canzonieri, Vincenzo; Demitri, Nicola; Rizzolio, Flavio; Cavallo, Luigi; Dereli, Busra; Mane, Manoj V.; Nolan, Steven P.; Visentin, Fabiano","The anticancer activity of an air-stable Pd(I)-NHC (NHC = N-heterocyclic carbene) dimer.","Chemical communications (Cambridge, England)","2020","56","81","12238","12241","10.1039/d0cc03883k","","","0.6203","Synchrotron","","0.0702","0.0529","","","0.1426","0.1534","","","","","","1.034","","","","has coordinates,has disorder","260623","2021-01-07","04:36:34",""
"7127187","8.71695","0.00013","13.36161","0.00018","17.6913","0.0002","90","","90","","90","","2060.55","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N O5 S2 -","- C22 H21 N O5 S2 -","- C88 H84 N4 O20 S8 -","4","1","","Yang, Lei; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Yuan, Wei-Cheng","Organocatalytic enantioselective tandem sulfa-Michael/aldol reaction to access dihydrothiopyran-fused benzosulfolane skeletons bearing three contiguous stereocenters.","Chemical communications (Cambridge, England)","2020","56","82","12363","12366","10.1039/d0cc04840b","","x-ray","1.54184","CuKα","","0.0377","0.0368","","","0.0982","0.0996","","","","","","1.09","","","","has coordinates","260720","2021-01-07","05:00:57",""
"7127188","7.8266","0.0004","13.136","0.0006","13.1894","0.0005","90","","90","","90","","1356.01","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 O3 S2 -","- C15 H12 O3 S2 -","- C60 H48 O12 S8 -","4","1","","Yang, Lei; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Yuan, Wei-Cheng","Organocatalytic enantioselective tandem sulfa-Michael/aldol reaction to access dihydrothiopyran-fused benzosulfolane skeletons bearing three contiguous stereocenters.","Chemical communications (Cambridge, England)","2020","56","82","12363","12366","10.1039/d0cc04840b","","x-ray","1.54184","CuKα","","0.0451","0.0399","","","0.0977","0.103","","","","","","1.063","","","","has coordinates","260720","2021-01-07","05:00:57",""
"7127189","16.3139","0.0003","19.5375","0.0003","22.4893","0.0004","71.332","0.002","72.996","0.002","79.948","0.002","6468.1","0.2","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C119.5 H108 Cl4 P8 Rh4 S2 -","- C119.5 H108 Cl4 P8 Rh4 S2 -","- C239 H216 Cl8 P16 Rh8 S4 -","2","1","","Barnett, Harrison J.; Hill, Anthony F.","Dimetalla-heterocyclic carbenes: the interconversion of chalcocarbonyl and carbido ligands.","Chemical communications (Cambridge, England)","2020","56","83","12593","12596","10.1039/d0cc05106c","","x-ray","1.54184","CuKα","","0.0858","0.0728","","","0.2055","0.2249","","","","","","1.062","","","","has coordinates","260611","2021-01-07","04:33:56",""
"7127190","5.0083","0.0002","9.7548","0.0003","31.964","0.001","90","","92.576","0.002","90","","1560.02","0.09","373","2","373","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Br Cl I N O2 -","- C15 H10 Br Cl I N O2 -","- C60 H40 Br4 Cl4 I4 N4 O8 -","4","1","","Barnett, Harrison J.; Hill, Anthony F.","Dimetalla-heterocyclic carbenes: the interconversion of chalcocarbonyl and carbido ligands.","Chemical communications (Cambridge, England)","2020","56","83","12593","12596","10.1039/d0cc05106c","","x-ray","0.71073","MoKα","","0.0498","0.0416","","","0.1013","0.1059","","","","","","1.074","","","","has coordinates,has disorder","260611","2021-01-07","04:33:56",""
"7127191","12.7306","0.0002","15.6417","0.0003","30.6406","0.0004","90","","92.455","0.001","90","","6095.81","0.17","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H53 Cl5 O5 P4 Rh2 S -","- C58 H53 Cl5 O5 P4 Rh2 S -","- C232 H212 Cl20 O20 P16 Rh8 S4 -","4","1","","Barnett, Harrison J.; Hill, Anthony F.","Dimetalla-heterocyclic carbenes: the interconversion of chalcocarbonyl and carbido ligands.","Chemical communications (Cambridge, England)","2020","56","83","12593","12596","10.1039/d0cc05106c","","x-ray","1.54184","CuKα","","0.0597","0.0485","","","0.1209","0.1282","","","","","","1.034","","","","has coordinates","260611","2021-01-07","04:33:56",""
"7127192","16.2884","0.0004","20.0388","0.0005","22.3244","0.0006","70.671","0.002","75.071","0.002","80.2","0.002","6615","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C61.5 H56 Cl2 P4 Rh2 Se -","- C61.5 H56 Cl2 P4 Rh2 Se -","- C246 H224 Cl8 P16 Rh8 Se4 -","4","2","","Barnett, Harrison J.; Hill, Anthony F.","Dimetalla-heterocyclic carbenes: the interconversion of chalcocarbonyl and carbido ligands.","Chemical communications (Cambridge, England)","2020","56","83","12593","12596","10.1039/d0cc05106c","","x-ray","1.54184","CuKα","","0.1053","0.0833","","","0.2326","0.2599","","","","","","1.025","","","","has coordinates","294326","2024-09-02","09:37:26",""
"7127193","7.034","0.0001","16.0025","0.0002","13.2355","0.0002","90","","100.358","0.001","90","","1465.53","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C76 H64 O12 -","4","1","","Gao, Bingjian; Zou, Suchen; Yang, Guoqing; Ding, Yongzheng; Huang, Hanmin","Carbonylative cycloaddition between two different alkenes enabled by reactive directing groups: expedited construction of bridged polycyclic skeletons.","Chemical communications (Cambridge, England)","2020","56","81","12198","12201","10.1039/d0cc05362g","","","1.54184","CuKα","","0.0978","0.0936","","","0.2227","0.2285","","","","","","1.101","","","","has coordinates","260625","2021-01-07","04:36:50",""
"7127194","14.4303","0.0002","7.16982","0.00009","14.45517","0.00018","90","","90.2129","0.0013","90","","1495.56","0.03","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","","Gao, Bingjian; Zou, Suchen; Yang, Guoqing; Ding, Yongzheng; Huang, Hanmin","Carbonylative cycloaddition between two different alkenes enabled by reactive directing groups: expedited construction of bridged polycyclic skeletons.","Chemical communications (Cambridge, England)","2020","56","81","12198","12201","10.1039/d0cc05362g","","","1.54184","CuKα","","0.053","0.0469","","","0.1302","0.1357","","","","","","1.04","","","","has coordinates","260625","2021-01-07","04:36:50",""
"7127195","13.6891","0.0004","7.0857","0.0002","14.1959","0.0005","90","","91.491","0.003","90","","1376.49","0.07","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Gao, Bingjian; Zou, Suchen; Yang, Guoqing; Ding, Yongzheng; Huang, Hanmin","Carbonylative cycloaddition between two different alkenes enabled by reactive directing groups: expedited construction of bridged polycyclic skeletons.","Chemical communications (Cambridge, England)","2020","56","81","12198","12201","10.1039/d0cc05362g","","","1.54184","CuKα","","0.0545","0.0475","","","0.1287","0.1374","","","","","","1.034","","","","has coordinates","298328","2025-03-07","16:31:39",""
"7127196","7.2898","0.0002","15.8113","0.0004","25.4414","0.0009","90","","90","","90","","2932.41","0.15","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C152 H144 O16 -","8","1","","Gao, Bingjian; Zou, Suchen; Yang, Guoqing; Ding, Yongzheng; Huang, Hanmin","Carbonylative cycloaddition between two different alkenes enabled by reactive directing groups: expedited construction of bridged polycyclic skeletons.","Chemical communications (Cambridge, England)","2020","56","81","12198","12201","10.1039/d0cc05362g","","","1.54184","CuKα","","0.0737","0.0659","","","0.1652","0.1764","","","","","","1.035","","","","has coordinates","298328","2025-03-07","16:31:39",""
"7127197","20.5228","0.0005","8.2219","0.0002","17.4215","0.0003","90","","96.111","0.002","90","","2922.94","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C152 H128 O24 -","8","2","","Gao, Bingjian; Zou, Suchen; Yang, Guoqing; Ding, Yongzheng; Huang, Hanmin","Carbonylative cycloaddition between two different alkenes enabled by reactive directing groups: expedited construction of bridged polycyclic skeletons.","Chemical communications (Cambridge, England)","2020","56","81","12198","12201","10.1039/d0cc05362g","","","1.54184","CuKα","","0.0551","0.0482","","","0.1391","0.1458","","","","","","1.11","","","","has coordinates","296876","2024-12-16","17:34:43",""
"7127198","8.405","0.0019","10.003","0.002","15.623","0.004","71.488","0.004","78.914","0.005","66.772","0.003","1141.2","0.5","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Br Cl3 N2 O -","- C23 H18 Br Cl3 N2 O -","- C46 H36 Br2 Cl6 N4 O2 -","2","1","","Zhao, Peng; Yu, Xiao-Xiao; Zhou, You; Huang, Chun; Wu, Yan-Dong; Zhu, Yan-Ping; Wu, An-Xin","Arylacetylenes as two-carbon synthons: synthesis of eight-membered rings via C[triple bond, length as m-dash]C bond cleavage.","Chemical communications (Cambridge, England)","2020","56","83","12554","12557","10.1039/d0cc05363e","","","0.71073","MoKα","","0.0744","0.0606","","","0.1644","0.1799","","","","","","1.082","","","","has coordinates","260617","2021-01-07","04:35:00",""
"7127199","13.602","0.003","13.685","0.003","19.401","0.004","90","","99.361","0.003","90","","3563.3","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C176 H144 N16 O8 -","8","1","","Zhao, Peng; Yu, Xiao-Xiao; Zhou, You; Huang, Chun; Wu, Yan-Dong; Zhu, Yan-Ping; Wu, An-Xin","Arylacetylenes as two-carbon synthons: synthesis of eight-membered rings via C[triple bond, length as m-dash]C bond cleavage.","Chemical communications (Cambridge, England)","2020","56","83","12554","12557","10.1039/d0cc05363e","","","0.71073","MoKα","","0.0592","0.0486","","","0.1408","0.1557","","","","","","1.057","","","","has coordinates","260617","2021-01-07","04:35:00",""
"7127200","28.3648","0.0005","12.213","0.0001","32.5843","0.0005","90","","111.394","0.002","90","","10510","0.3","100.01","0.1","100.01","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","1-BArF","","- C49 H63 B F6 N3 O P2 Rh -","- C49 H63 B F6 N3 O P2 Rh -","- C392 H504 B8 F48 N24 O8 P16 Rh8 -","8","1","","MacNeil, Connor S.; Hsiang, Shou-Jen; Hayes, Paul G.","Reversible dehydrogenation of a primary aryl borane.","Chemical communications (Cambridge, England)","2020","56","82","12323","12326","10.1039/d0cc05503d","","x-ray","0.71073","MoKα","","0.0285","0.0261","","","0.0646","0.0657","","","","","","1.035","","","","has coordinates","260725","2021-01-07","05:01:50",""
"7127201","14.5167","0.0003","18.5067","0.0004","19.7008","0.0006","65.627","0.002","88.777","0.002","77.349","0.002","4689.8","0.2","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","1-BMes","","- C44 H63 B N3 O P2 Rh -","- C44 H63 B N3 O P2 Rh -","- C176 H252 B4 N12 O4 P8 Rh4 -","4","2","","MacNeil, Connor S.; Hsiang, Shou-Jen; Hayes, Paul G.","Reversible dehydrogenation of a primary aryl borane.","Chemical communications (Cambridge, England)","2020","56","82","12323","12326","10.1039/d0cc05503d","","x-ray","1.54184","CuKα","","0.0837","0.0759","","","0.2061","0.2131","","","","","","1.08","","","","has coordinates","260725","2021-01-07","05:01:50",""
"7127202","8.1661","0.0002","25.3026","0.0005","10.7553","0.0002","90","","96.512","0.001","90","","2207.96","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 N2 O2 S -","- C27 H24 N2 O2 S -","- C108 H96 N8 O8 S4 -","4","1","","Tan, Heng; Khan, Ruhima; Xu, Dandan; Zhou, Yongyun; Zhang, Xuexin; Shi, Guangrui; Fan, Baomin","Cobalt-catalyzed ring-opening addition of azabenzonorbornadienes via C(sp<sup>3</sup>)-H bond activation of 8-methylquinoline.","Chemical communications (Cambridge, England)","2020","56","83","12570","12573","10.1039/d0cc05374k","","","1.54178","CuKα","","0.0384","0.0354","","","0.0923","0.0949","","","","","","1.037","","","","has coordinates","260610","2021-01-07","04:33:10",""
"7127203","21.609","0.005","49.509","0.012","28.125","0.007","90","","111.398","0.003","90","","28015","12","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C279 H381 O48 -","- C269 H366 O45 -","- C1076 H1464 O180 -","4","1","","Shimoyama, Daisuke; Sekiya, Ryo; Haino, Takeharu","Absorption of chemicals in amorphous trisresorcinarene.","Chemical communications (Cambridge, England)","2020","56","83","12582","12585","10.1039/d0cc05066k","","","0.71073","MoKα","","0.2741","0.1611","","","0.3963","0.446","","","","","","1.185","","","","has coordinates","260613","2021-01-07","04:34:29",""
"7127204","4.3265","0.0001","13.4831","0.0002","12.3293","0.0003","90","","93.614","0.002","90","","717.79","0.03","173","0.1","173","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H8 Cl F N2 O4 -","- C15 H8 Cl F N2 O4 -","- C30 H16 Cl2 F2 N4 O8 -","2","1","","Peng, Qiupeng; Guo, Donghui; Zhang, Bei; Liu, Lala; Wang, Jian","Benzotetramisole catalyzed kinetic resolution of 2H-azirines.","Chemical communications (Cambridge, England)","2020","56","82","12427","12430","10.1039/d0cc05379a","","x-ray","1.54184","CuKα","","0.0377","0.0359","","","0.0937","0.0962","","","","","","1.026","","","","has coordinates","260717","2021-01-07","05:00:28",""
"7127205","33.803","0.007","13.242","0.003","13.405","0.003","90","","108.746","0.003","90","","5682","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H76 N4 O8 S2 -","- C69.9992 H75.9984 N4 O8 S2 -","- C279.997 H303.994 N16 O32 S8 -","4","0.5","","Ohtsuka, Nobuhiko; Nakano, Masahiro; Nakagawa, Sae; Shahiduzzaman, Md; Karakawa, Makoto; Taima, Tetsuya; Minoura, Mao","Naphthalene diimide-incorporated helical thienoacene: a helical molecule with high electron mobility, good solubility, and thermally stable solid phase.","Chemical communications (Cambridge, England)","2020","56","82","12343","12346","10.1039/d0cc04634e","","","0.4268","synchrotron","","0.1177","0.0733","","","0.1942","0.2717","","","","","","1.108","","","","has coordinates,has disorder","260722","2021-01-07","05:01:13",""
"7127206","9.6932","0.0005","10.7179","0.0006","21.842","0.0011","90","","90","","90","","2269.2","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 Br N O -","- C27 H26 Br N O -","- C108 H104 Br4 N4 O4 -","4","1","","Zhang, Yu; Li, Yuan; Zhou, Wei; Zhang, Mengru; Zhang, Qian; Jia, Ran; Zhao, Jinbo","Assembly of polysubstituted chiral cyclopropylamines via highly enantioselective Cu-catalyzed three-component cyclopropene alkenylamination.","Chemical communications (Cambridge, England)","2020","56","81","12250","12253","10.1039/d0cc01060j","","","1.54178","CuKα","","0.0322","0.0282","","","0.0623","0.064","","","","","","1.072","","","","has coordinates","260620","2021-01-07","04:35:46",""
"7127207","17.2","0.0012","17.2","0.0012","17.2","0.0012","90","","90","","90","","5088.4","0.6","292","2","292","","","","","","","","","5","P -4 21 m","P -4 2ab","113","WUF-52","","","- C51 H33 N3 O13 Zn4 -","- C51 H33 N2.5 O13 Zn4 -","- C102 H66 N5 O26 Zn8 -","2","0.25","","Fishburn, Mitchell G.; Skelton, Dayne R.; Telfer, Shane G.; Wagner, Pawel; Richardson, Christopher","Second-order programming the synthesis of metal-organic frameworks.","Chemical communications (Cambridge, England)","2020","56","82","12355","12358","10.1039/d0cc05451h","","","1.54178","CuKα","","0.1106","0.1015","","","0.2332","0.2487","","","","","","1.088","","","","has coordinates,has disorder","260716","2021-01-07","05:00:22",""
"7127208","10.5406","0.0003","10.8847","0.0002","13.6301","0.0004","94.515","0.002","101.132","0.002","96.424","0.002","1516.65","0.07","293","1","293","1","","","","","","","","4","P -1","-P 1","2","","Dimethyl 2-(((1-(4,4'-bis(methoxycarbonyl)-[1,1'-biphenyl]-2-yl)-1H-1,2,3-triazol-4-yl)methyl)amino)-[1,1'-biphenyl]-4,4'-dicarboxylate","","- C35 H30 N4 O8 -","- C35 H30 N4 O8 -","- C70 H60 N8 O16 -","2","1","","Fishburn, Mitchell G.; Skelton, Dayne R.; Telfer, Shane G.; Wagner, Pawel; Richardson, Christopher","Second-order programming the synthesis of metal-organic frameworks.","Chemical communications (Cambridge, England)","2020","56","82","12355","12358","10.1039/d0cc05451h","","x-ray","0.71073","MoKα","","0.0628","0.0429","","","0.1136","0.1249","","","","","","1.057","","","","has coordinates","260716","2021-01-07","05:00:22",""
"7127209","16.06","0.0008","13.0072","0.0008","13.9753","0.0007","90","","99.72","0.006","90","","2877.5","0.3","135.01","","135.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10.5 H6 Cl2 N5 O3 Re -","- C10.5 H6 Cl2 N5 O3 Re -","- C84 H48 Cl16 N40 O24 Re8 -","8","1","","Schnierle, Marc; Blickle, Svenja; Filippou, Vasileios; Ringenberg, Mark R.","Tetrazine metallation boosts rate and regioselectivity of inverse electron demand Diels-Alder (iEDDA) addition of dienophiles.","Chemical communications (Cambridge, England)","2020","56","80","12033","12036","10.1039/d0cc03805a","","","1.54178","CuKα","","0.0888","0.075","","","0.1901","0.225","","","","","","1.0465","","","","has coordinates","260661","2021-01-07","04:47:31",""
"7127210","7.2794","0.0004","9.3608","0.0004","10.4528","0.0005","90","","96.97","0.003","90","","707","0.06","135","2","135","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N5 -","- C7 H5 N5 -","- C28 H20 N20 -","4","1","","Schnierle, Marc; Blickle, Svenja; Filippou, Vasileios; Ringenberg, Mark R.","Tetrazine metallation boosts rate and regioselectivity of inverse electron demand Diels-Alder (iEDDA) addition of dienophiles.","Chemical communications (Cambridge, England)","2020","56","80","12033","12036","10.1039/d0cc03805a","","","0.71073","MoKα","","0.0611","0.0432","","","0.1227","0.1396","","","","","","1.079","","","","has coordinates","260661","2021-01-07","04:47:31",""
"7127211","17.9274","0.0018","12.2202","0.0009","17.9025","0.0019","90","","103.284","0.008","90","","3817.1","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 Cl N3 O3 Re -","- C18 H19 Cl N3 O3 Re -","- C144 H152 Cl8 N24 O24 Re8 -","8","1","","Schnierle, Marc; Blickle, Svenja; Filippou, Vasileios; Ringenberg, Mark R.","Tetrazine metallation boosts rate and regioselectivity of inverse electron demand Diels-Alder (iEDDA) addition of dienophiles.","Chemical communications (Cambridge, England)","2020","56","80","12033","12036","10.1039/d0cc03805a","","","0.71073","MoKα","","0.1927","0.0675","","","0.1271","0.1503","","","","","","0.948","","","","has coordinates","298703","2025-04-03","05:34:20",""
"7127212","12.9074","0.0003","12.0184","0.0003","14.9765","0.0004","90","","113.981","0.001","90","","2122.71","0.09","135.02","","135.02","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cl Fe N3 O3 Re -","- C22 H17 Cl Fe N3 O3 Re -","- C88 H68 Cl4 Fe4 N12 O12 Re4 -","4","1","","Schnierle, Marc; Blickle, Svenja; Filippou, Vasileios; Ringenberg, Mark R.","Tetrazine metallation boosts rate and regioselectivity of inverse electron demand Diels-Alder (iEDDA) addition of dienophiles.","Chemical communications (Cambridge, England)","2020","56","80","12033","12036","10.1039/d0cc03805a","","","0.71073","MoKα","","0.0329","0.0197","","","0.0374","0.0415","","","","","","0.9942","","","","has coordinates","260661","2021-01-07","04:47:31",""
"7127213","9.0781","0.0007","10.9568","0.001","22.08","0.002","90","","92.87","0.002","90","","2193.5","0.3","135","","135","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Cl N3 O3 Re -","- C18 H13 Cl N3 O3 Re -","- C72 H52 Cl4 N12 O12 Re4 -","4","1","","Schnierle, Marc; Blickle, Svenja; Filippou, Vasileios; Ringenberg, Mark R.","Tetrazine metallation boosts rate and regioselectivity of inverse electron demand Diels-Alder (iEDDA) addition of dienophiles.","Chemical communications (Cambridge, England)","2020","56","80","12033","12036","10.1039/d0cc03805a","","","0.71073","MoKα","","0.063","0.0395","","","0.0731","0.0785","","","","","","0.9574","","","","has coordinates","260661","2021-01-07","04:47:31",""
"7127214","10.5308","0.001","18.5025","0.0016","8.737","0.0007","90","","90","","90","","1702.4","0.3","293.9","0.5","293.9","0.5","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H20 O4 -","- C21 H19.432 O4 -","- C84 H77.728 O16 -","4","1","","Dai, Qing-Song; Tao, Ying-Mao; Zhang, Xiang; Leng, Hai-Jun; Huang, Hua; Xiang, Peng; Li, Qing-Zhu; Wang, Qi-Wei; Li, Jun-Long","Palladium-catalysed cyclisation of vinylethylene carbonates and anhydrides: a new approach to diverse medium-sized bislactones.","Chemical communications (Cambridge, England)","2020","56","82","12439","12442","10.1039/d0cc05341d","","x-ray","1.54184","CuKα","","0.084","0.0706","","","0.1977","0.224","","","","","","1.041","","","","has coordinates,has disorder","260724","2021-01-07","05:01:31",""
"7127215","15.6331","0.0007","8.0735","0.0003","12.5699","0.0004","90","","92.556","0.003","90","","1584.92","0.11","294","1","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Dai, Qing-Song; Tao, Ying-Mao; Zhang, Xiang; Leng, Hai-Jun; Huang, Hua; Xiang, Peng; Li, Qing-Zhu; Wang, Qi-Wei; Li, Jun-Long","Palladium-catalysed cyclisation of vinylethylene carbonates and anhydrides: a new approach to diverse medium-sized bislactones.","Chemical communications (Cambridge, England)","2020","56","82","12439","12442","10.1039/d0cc05341d","","x-ray","1.54184","CuKα","","0.0845","0.0698","","","0.1807","0.204","","","","","","1.03","","","","has coordinates","260724","2021-01-07","05:01:31",""
"7127216","4.857","0.0004","13.6775","0.0014","14.0943","0.0012","114.792","0.009","97.894","0.007","91.103","0.007","838.88","0.15","291.3","0.6","291.3","0.6","","","","","","","","3","P -1","-P 1","2","","","","- C22 H16 O4 -","- C22 H16 O4 -","- C44 H32 O8 -","2","1","","Dai, Qing-Song; Tao, Ying-Mao; Zhang, Xiang; Leng, Hai-Jun; Huang, Hua; Xiang, Peng; Li, Qing-Zhu; Wang, Qi-Wei; Li, Jun-Long","Palladium-catalysed cyclisation of vinylethylene carbonates and anhydrides: a new approach to diverse medium-sized bislactones.","Chemical communications (Cambridge, England)","2020","56","82","12439","12442","10.1039/d0cc05341d","","x-ray","1.54184","CuKα","","0.0846","0.0745","","","0.2093","0.2242","","","","","","1.067","","","","has coordinates","260724","2021-01-07","05:01:31",""
"7127217","11.2786","0.0003","10.8706","0.0004","15.3317","0.0004","90","","97.475","0.003","90","","1863.77","0.1","295.9","0.2","295.9","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","1","","Dai, Qing-Song; Tao, Ying-Mao; Zhang, Xiang; Leng, Hai-Jun; Huang, Hua; Xiang, Peng; Li, Qing-Zhu; Wang, Qi-Wei; Li, Jun-Long","Palladium-catalysed cyclisation of vinylethylene carbonates and anhydrides: a new approach to diverse medium-sized bislactones.","Chemical communications (Cambridge, England)","2020","56","82","12439","12442","10.1039/d0cc05341d","","x-ray","1.54184","CuKα","","0.0603","0.0542","","","0.1376","0.1443","","","","","","1.076","","","","has coordinates","260724","2021-01-07","05:01:31",""
"7127218","11.1833","0.0009","11.1833","0.0009","3.6304","0.0004","90","","90","","120","","393.21","0.06","293","2","293","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C6 Cl Cu3 K4 N6 O6 -","- C6 Cl Cu3 K4.02 N6 O6 -","- C6 Cl Cu3 K4.02 N6 O6 -","1","0.0833333","","Kang, Kaijin; Liang, Fei; Meng, Xianghe; Tang, Jian; Zeng, Tixian; Xia, Mingjun; Lin, Zheshuai; Yin, Wenlong; Bin, Kang","K<sub>4</sub>Cu<sub>3</sub>(C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sub>2</sub>X (X = Cl, Br): strong anisotropic layered semiconductors containing mixed p-p and d-p conjugated π-bonds.","Chemical communications (Cambridge, England)","2020","56","83","12534","12537","10.1039/d0cc04547k","","","0.71073","MoKα","","0.0391","0.0335","","","0.0893","0.0934","","","","","","1.091","","","","has coordinates","260615","2021-01-07","04:34:45",""
"7127219","11.2089","0.0008","11.2089","0.0008","3.7195","0.0004","90","","90","","120","","404.71","0.06","293","2","293","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C6 Br Cu3 K4 N6 O6 -","- C6 Br Cu3 K4.02 N6 O6 -","- C6 Br Cu3 K4.02 N6 O6 -","1","0.0833333","","Kang, Kaijin; Liang, Fei; Meng, Xianghe; Tang, Jian; Zeng, Tixian; Xia, Mingjun; Lin, Zheshuai; Yin, Wenlong; Bin, Kang","K<sub>4</sub>Cu<sub>3</sub>(C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sub>2</sub>X (X = Cl, Br): strong anisotropic layered semiconductors containing mixed p-p and d-p conjugated π-bonds.","Chemical communications (Cambridge, England)","2020","56","83","12534","12537","10.1039/d0cc04547k","","","0.71073","MoKα","","0.0653","0.0563","","","0.1641","0.1733","","","","","","1.119","","","","has coordinates","260615","2021-01-07","04:34:45",""
"7127220","11.7115","0.0005","12.6744","0.0004","12.5355","0.0007","90","","103.528","0.005","90","","1809.1","0.14","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H22 F3 N O2 Sn -","- C16 H22 F3 N O2 Sn -","- C64 H88 F12 N4 O8 Sn4 -","4","2","","Delany, Pascal K.; Mortimer, Claire L.; Hodgson, David M.","Electrophile dependent mechanisms in the asymmetric trapping of α-lithio-<i>N</i>-(<i>tert</i>-butoxythiocarbonyl)azetidine.","Chemical communications (Cambridge, England)","2020","56","81","12174","12177","10.1039/d0cc05396a","","","0.71073","MoKα","","0.0949","0.059","","0.1349","0.1071","0.1349","","","","","","1.0078","","","","has coordinates","260624","2021-01-07","04:36:40",""
"7127221","8.5708","0.0002","17.0112","0.0004","12.3358","0.0003","90","","106.285","0.0006","90","","1726.4","0.07","103","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N3 O2 -","- C19 H23 N3 O2 -","- C76 H92 N12 O8 -","4","1","","Semenova, Evgeniya; Lahtigui, Ouidad; Scott, Sarah K.; Albritton, Matthew; Abboud, Khalil A.; Ghiviriga, Ion; Roitberg, Adrian E.; Grenning, Alexander J.","Selective ring-rearrangement or ring-closing metathesis of bicyclo[3.2.1]octenes.","Chemical communications (Cambridge, England)","2020","56","79","11779","11782","10.1039/d0cc04624h","","","0.71073","MoKα","","0.0603","0.0402","","","0.1078","0.1148","","","","","","0.999","","","","has coordinates","260639","2021-01-07","04:40:20",""
"7127222","10.9242","0.0019","7.1718","0.0013","12.651","0.002","90","","105.167","0.003","90","","956.6","0.3","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C38 H50 N2 O12 -","2","1","","Pei, Jun-Ping; Lv, Xue-Jiao; Peng, Chen-Jun; Liu, Yan-Kai","Asymmetric organocatalytic multicomponent reactions for efficient construction of bicyclic compounds bearing bisacetal and isoxazolidine moieties.","Chemical communications (Cambridge, England)","2020","56","84","12765","12768","10.1039/d0cc05099g","","","0.71073","MoKα","","0.056","0.0406","","","0.0821","0.0893","","","","","","1.034","","","","has coordinates","260699","2021-01-07","04:55:58",""
"7127223","6.921","0.006","10.91","0.03","24.068","0.019","90","","90","","90","","1817","5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O7 -","- C17 H21 N O7 -","- C68 H84 N4 O28 -","4","1","","Zhao, Can; Khan, Ijaz; Zhang, Yong Jian","Enantioselective total synthesis of furofuran lignans <i>via</i> Pd-catalyzed asymmetric allylic cycloadditon of vinylethylene carbonates with 2-nitroacrylates.","Chemical communications (Cambridge, England)","2020","56","82","12431","12434","10.1039/d0cc05640e","","","1.54178","CuKα","","0.0452","0.0378","","","0.1043","0.1131","","","","","","1.02","","","","has coordinates","260721","2021-01-07","05:01:04",""
"7127224","6.6885","0.0003","7.1093","0.0003","24.188","0.0009","90","","90","","90","","1150.15","0.08","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 O5 -","- C13 H12 O5 -","- C52 H48 O20 -","4","1","","Zhao, Can; Khan, Ijaz; Zhang, Yong Jian","Enantioselective total synthesis of furofuran lignans <i>via</i> Pd-catalyzed asymmetric allylic cycloadditon of vinylethylene carbonates with 2-nitroacrylates.","Chemical communications (Cambridge, England)","2020","56","82","12431","12434","10.1039/d0cc05640e","","","1.54178","CuKα","","0.0687","0.0329","","","0.0805","0.0898","","","","","","1.038","","","","has coordinates","260721","2021-01-07","05:01:04",""
"7127225","8.1947","0.0004","22.1997","0.0008","12.9203","0.0005","90","","102.07","0.004","90","","2298.5","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 O8 -","- C25 H22 N2 O8 -","- C100 H88 N8 O32 -","4","1","","Wang, Kai; Jiang, Chenghao; Zhang, Zhenming; Han, Chunyu; Wang, Xuewei; Li, Yaping; Chen, Kaiting; Zhao, Junfeng","Cut and sew: benzofuran-ring-opening enabled cyclopentenone ring formation.","Chemical communications (Cambridge, England)","2020","56","84","12817","12820","10.1039/d0cc05271j","","x-ray","0.71073","MoKα","","0.0675","0.0531","","","0.1504","0.1608","","","","","","1.019","","","","has coordinates","260691","2021-01-07","04:53:58",""
"7127226","24.552","0.005","24.552","0.005","17.693","0.004","90","","90","","90","","10665","4","120","2","120","2","","","","","","","","6","I -4 2 m","I -4 2","121","","","","- C336 H304 Br82.4 Co8 N48 O34 -","- C336 H304 Br82.4 Co8 N48 O34 -","- C336 H304 Br82.4 Co8 N48 O34 -","1","0.0625","","Rabelo, Renato; Toma, Luminita; Moliner, Nicolás; Julve, Miguel; Lloret, Francesc; Pasán, Jorge; Ruiz-Pérez, Catalina; Ruiz-García, Rafael; Cano, Joan","Electroswitching of the single-molecule magnet behaviour in an octahedral spin crossover cobalt(ii) complex with a redox-active pyridinediimine ligand.","Chemical communications (Cambridge, England)","2020","56","81","12242","12245","10.1039/d0cc03357j","","","0.71073","MoKα","","0.049","0.0468","","","0.1273","0.129","","","","","","1.098","","","","has coordinates,has disorder","260626","2021-01-07","04:37:03",""
"7127227","19.3426","0.0001","19.3426","0.0001","43.5392","0.0005","90","","90","","90","","16289.6","0.2","150.01","0.1","150","0.1","","","","","","","","6","P 43","P 4cw","78","","","","- C42 H38 Cl2 Co N6 O12 -","- C42 H38 Cl2 Co N6 O12 -","- C672 H608 Cl32 Co16 N96 O192 -","16","4","","Rabelo, Renato; Toma, Luminita; Moliner, Nicolás; Julve, Miguel; Lloret, Francesc; Pasán, Jorge; Ruiz-Pérez, Catalina; Ruiz-García, Rafael; Cano, Joan","Electroswitching of the single-molecule magnet behaviour in an octahedral spin crossover cobalt(ii) complex with a redox-active pyridinediimine ligand.","Chemical communications (Cambridge, England)","2020","56","81","12242","12245","10.1039/d0cc03357j","","","0.71073","MoKα","","0.0654","0.0505","","","0.1135","0.1236","","","","","","0.978","","","","has coordinates","260626","2021-01-07","04:37:04",""
"7127228","10.329","0.003","19.409","0.005","10.902","0.003","90","","98.698","0.005","90","","2160.4","1","293","","293","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 N3 O2 -","- C27 H19 N3 O2 -","- C108 H76 N12 O8 -","4","1","","Singh, Sangh Priya; Tripathi, Shashank; Yadav, Anamika; Kant, Ruchir; Srivastava, Hemant Kumar; Srivastava, Ajay Kumar","Synthesis of β- and γ-lactam fused dihydropyrazinones from Ugi adducts <i>via</i> a sequential ring construction strategy.","Chemical communications (Cambridge, England)","2020","56","84","12789","12792","10.1039/d0cc04415f","","","0.71075","MoKα","","0.0912","0.0599","","","0.1369","0.1463","","","","","","0.866","","","","has coordinates","260694","2021-01-07","04:55:03",""
"7127229","9.0888","0.0009","10.564","0.0011","21.463","0.0019","90","","90","","90","","2060.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(E)-4-benzyl-7-benzylidene-6-(4-fluorophenyl)-1,4-diazabicyclo[4.2.0]oct-2-ene-5,8-dione","","- C26 H19 F N2 O2 -","- C26 H19 F N2 O2 -","- C104 H76 F4 N8 O8 -","4","1","","Singh, Sangh Priya; Tripathi, Shashank; Yadav, Anamika; Kant, Ruchir; Srivastava, Hemant Kumar; Srivastava, Ajay Kumar","Synthesis of β- and γ-lactam fused dihydropyrazinones from Ugi adducts <i>via</i> a sequential ring construction strategy.","Chemical communications (Cambridge, England)","2020","56","84","12789","12792","10.1039/d0cc04415f","","","0.71073","MoKα","","0.0459","0.041","","","0.1305","0.1365","","","","","","1.149","","","","has coordinates","260694","2021-01-07","04:55:06",""
"7127230","22.7366","0.001","17.3024","0.0011","22.0606","0.001","90","","90.923","0.004","90","","8677.5","0.8","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C66 H35 N6 O0.5 Tb0.5 -","- C66 H35 N6 O0.5 Tb0.5 -","- C528 H280 N48 O4 Tb4 -","8","1","","Iwami, Hikaru; Xing, Junfei; Nakanishi, Ryo; Horii, Yoji; Katoh, Keiichi; Breedlove, Brian K.; Kawachi, Kazuhiko; Kasama, Yasuhiko; Kwon, Eunsang; Yamashita, Masahiro","Cocrystals of Li<sup>+</sup> encapsulated fullerenes and Tb(iii) double-decker single molecule magnet in a quasi-kagome lattice.","Chemical communications (Cambridge, England)","2020","56","84","12785","12788","10.1039/d0cc04349d","","","0.71073","MoKα","","0.1268","0.1252","","","0.2828","0.2837","","","","","","1.173","","","","has coordinates","260693","2021-01-07","04:54:52",""
"7127231","13.1037","0.0002","15.3447","0.0002","18.9271","0.0004","108.883","0.001","104.223","0.001","91.574","0.001","3466.69","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C69 H62 Cl8 N12 Sb Tb -","- C69 H62 Cl8 N12 Sb Tb -","- C138 H124 Cl16 N24 Sb2 Tb2 -","2","1","","Iwami, Hikaru; Xing, Junfei; Nakanishi, Ryo; Horii, Yoji; Katoh, Keiichi; Breedlove, Brian K.; Kawachi, Kazuhiko; Kasama, Yasuhiko; Kwon, Eunsang; Yamashita, Masahiro","Cocrystals of Li<sup>+</sup> encapsulated fullerenes and Tb(iii) double-decker single molecule magnet in a quasi-kagome lattice.","Chemical communications (Cambridge, England)","2020","56","84","12785","12788","10.1039/d0cc04349d","","","0.71073","MoKα","","0.0336","0.0321","","","0.0875","0.0887","","","","","","1.018","","","","has coordinates","260693","2021-01-07","04:54:53",""
"7127232","24.8514","0.0006","15.5073","0.0002","27.2445","0.0006","90","","118.812","0.003","90","","9199.7","0.4","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H36 N6 Tb0.5 -","- C72 H36 N6 Tb0.5 -","- C576 H288 N48 Tb4 -","8","1","","Iwami, Hikaru; Xing, Junfei; Nakanishi, Ryo; Horii, Yoji; Katoh, Keiichi; Breedlove, Brian K.; Kawachi, Kazuhiko; Kasama, Yasuhiko; Kwon, Eunsang; Yamashita, Masahiro","Cocrystals of Li<sup>+</sup> encapsulated fullerenes and Tb(iii) double-decker single molecule magnet in a quasi-kagome lattice.","Chemical communications (Cambridge, England)","2020","56","84","12785","12788","10.1039/d0cc04349d","","","0.71073","MoKα","","0.0301","0.0278","","","0.0694","0.0703","","","","","","1.047","","","","has coordinates,has disorder","260693","2021-01-07","04:54:53",""
"7127233","22.811","0.0002","17.4164","0.0002","22.0814","0.0002","90","","90.987","0.001","90","","8771.32","0.15","120","","120","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C67 H37 N6 Tb0.5 -","- C67 H37 N6 Tb0.5 -","- C536 H296 N48 Tb4 -","8","1","","Iwami, Hikaru; Xing, Junfei; Nakanishi, Ryo; Horii, Yoji; Katoh, Keiichi; Breedlove, Brian K.; Kawachi, Kazuhiko; Kasama, Yasuhiko; Kwon, Eunsang; Yamashita, Masahiro","Cocrystals of Li<sup>+</sup> encapsulated fullerenes and Tb(iii) double-decker single molecule magnet in a quasi-kagome lattice.","Chemical communications (Cambridge, England)","2020","56","84","12785","12788","10.1039/d0cc04349d","","","0.71073","MoKα","","0.0408","0.0394","","","0.1019","0.1028","","","","","","1.044","","","","has coordinates","260693","2021-01-07","04:54:53",""
"7127234","14.9131","0.0007","23.0259","0.0009","21.9427","0.001","90","","104.777","0.005","90","","7285.6","0.6","100.15","","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H96 N13 Tb -","- C84 H96 N13 Tb -","- C336 H384 N52 Tb4 -","4","1","","Iwami, Hikaru; Xing, Junfei; Nakanishi, Ryo; Horii, Yoji; Katoh, Keiichi; Breedlove, Brian K.; Kawachi, Kazuhiko; Kasama, Yasuhiko; Kwon, Eunsang; Yamashita, Masahiro","Cocrystals of Li<sup>+</sup> encapsulated fullerenes and Tb(iii) double-decker single molecule magnet in a quasi-kagome lattice.","Chemical communications (Cambridge, England)","2020","56","84","12785","12788","10.1039/d0cc04349d","","","0.71073","MoKα","","0.1572","0.1001","","","0.1691","0.1875","","","","","","1.185","","","","has coordinates,has disorder","260693","2021-01-07","04:54:53",""
"7127235","15.1885","0.0005","21.4887","0.0006","19.099","0.0006","90","","104.999","0.003","90","","6021.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C64 H30 B0.5 F2 N6 Tb0.5 -","- C64 H30 B0.5 F2 N6 Tb0.5 -","- C256 H120 B2 F8 N24 Tb2 -","4","1","","Iwami, Hikaru; Xing, Junfei; Nakanishi, Ryo; Horii, Yoji; Katoh, Keiichi; Breedlove, Brian K.; Kawachi, Kazuhiko; Kasama, Yasuhiko; Kwon, Eunsang; Yamashita, Masahiro","Cocrystals of Li<sup>+</sup> encapsulated fullerenes and Tb(iii) double-decker single molecule magnet in a quasi-kagome lattice.","Chemical communications (Cambridge, England)","2020","56","84","12785","12788","10.1039/d0cc04349d","","","0.71073","MoKα","","0.0834","0.0649","","","0.1669","0.1749","","","","","","1.066","","","","has coordinates","260693","2021-01-07","04:54:53",""
"7127236","26.9958","0.0006","42.7901","0.0007","23.1133","0.0006","90","","90","","90","","26699.4","1","100","","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C162 H90 F6 N18 P Tb1.5 -","- C162 H90 F6 N18 P Tb1.5 -","- C1296 H720 F48 N144 P8 Tb12 -","8","1","","Iwami, Hikaru; Xing, Junfei; Nakanishi, Ryo; Horii, Yoji; Katoh, Keiichi; Breedlove, Brian K.; Kawachi, Kazuhiko; Kasama, Yasuhiko; Kwon, Eunsang; Yamashita, Masahiro","Cocrystals of Li<sup>+</sup> encapsulated fullerenes and Tb(iii) double-decker single molecule magnet in a quasi-kagome lattice.","Chemical communications (Cambridge, England)","2020","56","84","12785","12788","10.1039/d0cc04349d","","","0.71073","MoKα","","0.1415","0.1035","","","0.252","0.2842","","","","","","1.008","","","","has coordinates,has disorder","260693","2021-01-07","04:54:53",""
"7127237","10.5749","0.0004","11.9556","0.0004","15.5244","0.0006","90","","94.202","0.001","90","","1957.46","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 F6 N3 O4 -","- C19 H13 F6 N3 O4 -","- C76 H52 F24 N12 O16 -","4","1","","Su, Hai-Yan; Zhu, Xiao-Lei; Huang, Yangen; Xu, Xiu-Hua; Qing, Feng-Ling","Copper-catalyzed chemoselective C-H functionalization of quinoxalin-2(1<i>H</i>)-ones with hexafluoroisopropanol.","Chemical communications (Cambridge, England)","2020","56","84","12805","12808","10.1039/d0cc05623e","","","0.71073","MoKα","","0.0549","0.0427","","","0.1047","0.1158","","","","","","1.056","","","","has coordinates,has disorder","260695","2021-01-07","04:55:13",""
"7127238","7.2684","0.0006","10.407","0.001","12.7741","0.0013","74.227","0.003","81.33","0.003","86.111","0.003","918.89","0.15","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H20 B10 -","- C16 H20 B10 -","- C32 H40 B20 -","2","1","","Lee, Sunhee; Shin, Jisu; Ko, Doo-Hyun; Han, Won-Sik","A new type of carborane-based electron-accepting material.","Chemical communications (Cambridge, England)","2020","56","84","12741","12744","10.1039/d0cc04684a","","","0.71073","MoKα","","0.111","0.0597","","","0.1319","0.1559","","","","","","1.035","","","","has coordinates","260687","2021-01-07","04:53:19",""
"7127239","10.7957","0.0011","9.7951","0.0009","13.7818","0.0012","90","","112.281","0.003","90","","1348.5","0.2","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H15 B10 -","- C9 H15 B10 -","- C36 H60 B40 -","4","1","","Lee, Sunhee; Shin, Jisu; Ko, Doo-Hyun; Han, Won-Sik","A new type of carborane-based electron-accepting material.","Chemical communications (Cambridge, England)","2020","56","84","12741","12744","10.1039/d0cc04684a","","","0.71073","MoKα","","0.1066","0.0625","","","0.1487","0.1749","","","","","","1.025","","","","has coordinates","260687","2021-01-07","04:53:19",""
"7127240","7.7448","0.0013","15.656","0.003","18.122","0.004","90","","90","","90","","2197.3","0.7","235","2","235","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Br Cl0 N2 O3 -","- C23 H17 Br N2 O3 -","- C92 H68 Br4 N8 O12 -","4","1","","Zhang, Dong; Dong, Shunxi; He, Qianwen; Luo, Yao; Liu, Yun; Liu, Xiaohua; Feng, Xiaoming","Enantioselective dicarbofunctionalization of (<i>E</i>)-alkenyloxindoles with pyridinium salts by chiral Lewis acid/photo relay catalysis.","Chemical communications (Cambridge, England)","2020","56","84","12757","12760","10.1039/d0cc05621a","","","0.71073","MoKα","","0.0764","0.0465","","","0.1395","0.1792","","","","","","0.738","","","","has coordinates","260688","2021-01-07","04:53:35",""
"7127241","9.4091","0.0004","11.5174","0.0004","22.8668","0.0009","90","","91.996","0.001","90","","2476.53","0.17","169","2","169","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 Br N2 O4 -","- C27 H25 Br N2 O4 -","- C108 H100 Br4 N8 O16 -","4","1","","Zhang, Dong; Dong, Shunxi; He, Qianwen; Luo, Yao; Liu, Yun; Liu, Xiaohua; Feng, Xiaoming","Enantioselective dicarbofunctionalization of (<i>E</i>)-alkenyloxindoles with pyridinium salts by chiral Lewis acid/photo relay catalysis.","Chemical communications (Cambridge, England)","2020","56","84","12757","12760","10.1039/d0cc05621a","","","0.71073","MoKα","","0.0443","0.0318","","","0.071","0.0838","","","","","","1.099","","","","has coordinates","260688","2021-01-07","04:53:35",""
"7127242","13.2371","0.0004","16.5924","0.0005","11.5023","0.0003","90","","106.316","0.001","90","","2424.57","0.12","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Br N2 O4 -","- C27 H25 Br N2 O4 -","- C108 H100 Br4 N8 O16 -","4","1","","Zhang, Dong; Dong, Shunxi; He, Qianwen; Luo, Yao; Liu, Yun; Liu, Xiaohua; Feng, Xiaoming","Enantioselective dicarbofunctionalization of (<i>E</i>)-alkenyloxindoles with pyridinium salts by chiral Lewis acid/photo relay catalysis.","Chemical communications (Cambridge, England)","2020","56","84","12757","12760","10.1039/d0cc05621a","","","1.54178","CuKα","","0.0441","0.0417","","","0.101","0.1031","","","","","","1.063","","","","has coordinates","260688","2021-01-07","04:53:35",""
"7127243","21.8518","0.0007","10.5122","0.0003","22.7425","0.0008","90","","108.208","0.002","90","","4962.6","0.3","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 Br N2 O4 -","- C27 H27 Br N2 O4 -","- C216 H216 Br8 N16 O32 -","8","1","","Zhang, Dong; Dong, Shunxi; He, Qianwen; Luo, Yao; Liu, Yun; Liu, Xiaohua; Feng, Xiaoming","Enantioselective dicarbofunctionalization of (<i>E</i>)-alkenyloxindoles with pyridinium salts by chiral Lewis acid/photo relay catalysis.","Chemical communications (Cambridge, England)","2020","56","84","12757","12760","10.1039/d0cc05621a","","","0.71073","MoKα","","0.0762","0.0466","","","0.0898","0.1061","","","","","","1.133","","","","has coordinates,has disorder","260688","2021-01-07","04:53:35",""
"7127244","10.957","0.0013","22.742","0.002","11.167","0.0011","90","","110.062","0.004","90","","2613.8","0.5","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Br N2 O4 -","- C28 H27 Br N2 O4 -","- C112 H108 Br4 N8 O16 -","4","1","","Zhang, Dong; Dong, Shunxi; He, Qianwen; Luo, Yao; Liu, Yun; Liu, Xiaohua; Feng, Xiaoming","Enantioselective dicarbofunctionalization of (<i>E</i>)-alkenyloxindoles with pyridinium salts by chiral Lewis acid/photo relay catalysis.","Chemical communications (Cambridge, England)","2020","56","84","12757","12760","10.1039/d0cc05621a","","","0.71073","MoKα","","0.1485","0.0585","","","0.1106","0.1423","","","","","","1.015","","","","has coordinates","260688","2021-01-07","04:53:35",""
"7127245","12.9369","0.0005","17.1825","0.0006","17.9062","0.0006","90","","102.098","0.0016","90","","3891.9","0.2","200","","200","","","","101","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H53 N O6 -","- C42.998 H52.994 N O5.999 -","- C171.992 H211.976 N4 O23.996 -","4","1","","Tlustý, Martin; Spálovská, Dita; Kohout, Michal; Eigner, Václav; Lhoták, Pavel","Ketone transformation as a pathway to inherently chiral rigidified calix[4]arenes.","Chemical communications (Cambridge, England)","2020","56","84","12773","12776","10.1039/d0cc05352j","","","1.54178","CuKα","","0.0771","0.0687","","0.1082","0.1038","0.1082","","","","","","1.4217","","","","has coordinates,has disorder","260696","2021-01-07","04:55:30",""
"7127246","13.1917","0.0004","16.8403","0.0005","18.4369","0.0005","90","","106.313","0.0012","90","","3930.9","0.2","250","","250","","","","101","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H53 N O6 -","- C43 H53 N O6 -","- C172 H212 N4 O24 -","4","1","","Tlustý, Martin; Spálovská, Dita; Kohout, Michal; Eigner, Václav; Lhoták, Pavel","Ketone transformation as a pathway to inherently chiral rigidified calix[4]arenes.","Chemical communications (Cambridge, England)","2020","56","84","12773","12776","10.1039/d0cc05352j","","","1.54178","CuKα","","0.0728","0.0658","","0.1711","0.1672","0.1711","","","","","","1.3955","","","","has coordinates,has disorder","260696","2021-01-07","04:55:32",""
"7127247","18.1214","0.0009","12.6174","0.0007","16.0888","0.0009","90","","103.99","0.0018","90","","3569.5","0.3","200","","200","","","","101","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H46 O6 -","- C41 H46 O6 -","- C164 H184 O24 -","4","1","","Tlustý, Martin; Spálovská, Dita; Kohout, Michal; Eigner, Václav; Lhoták, Pavel","Ketone transformation as a pathway to inherently chiral rigidified calix[4]arenes.","Chemical communications (Cambridge, England)","2020","56","84","12773","12776","10.1039/d0cc05352j","","","0.71073","MoKα","","0.0743","0.0607","","0.1651","0.1473","0.1651","","","","","","0.9978","","","","has coordinates,has disorder","260696","2021-01-07","04:55:32",""
"7127248","9.4753","0.0003","19.0877","0.0005","39.5036","0.0011","90","","90","","90","","7144.7","0.4","200","","200","","","","101","","","","","4","P n a 21","P 2c -2n","33","","","","- C41 H47 N O5 -","- C41.0015 H47.0035 N O5 -","- C328.012 H376.028 N8 O40 -","8","2","","Tlustý, Martin; Spálovská, Dita; Kohout, Michal; Eigner, Václav; Lhoták, Pavel","Ketone transformation as a pathway to inherently chiral rigidified calix[4]arenes.","Chemical communications (Cambridge, England)","2020","56","84","12773","12776","10.1039/d0cc05352j","","","1.54178","CuKα","","0.0658","0.0622","","0.1564","0.1529","0.1564","","","","","","0.9219","","","","has coordinates,has disorder","260696","2021-01-07","04:55:32",""
"7127249","24.2592","0.0006","14.9349","0.0006","21.0144","0.0005","90","","90.863","0.002","90","","7612.8","0.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","carbatriphyrin fused dimer","","- C94 H64 F10 N4 -","- C94 H64 F10 N4 -","- C376 H256 F40 N16 -","4","0.5","","Murugavel, M.; Adinarayana, B.; Das, Mainak; Peruncheralathan, S.; Palepu, Narasinga Rao; Srinivasan, A.","PtCl<sub>2</sub> mediated peripheral transformation of carbatriphyrin(3.1.1) into a <i>meso</i>-fused β-β' dimer and its monomer analogue.","Chemical communications (Cambridge, England)","2020","56","84","12809","12812","10.1039/d0cc05309k","","x-ray","1.54184","CuKα","","0.0998","0.09","","","0.2422","0.2506","","","","","","1.055","","","","has coordinates","260690","2021-01-07","04:53:52",""
"7127250","10.4374","0.0007","13.2672","0.0008","16.3284","0.0012","71.893","0.006","73.259","0.007","69.076","0.006","1967.1","0.3","113","20","113","20","","","","","","","","5","P -1","-P 1","2","","carbatriphyrin[3.1.1] fused monomer","","- C47 H31 F5 N2 O -","- C47 H31 F5 N2 O -","- C94 H62 F10 N4 O2 -","2","1","","Murugavel, M.; Adinarayana, B.; Das, Mainak; Peruncheralathan, S.; Palepu, Narasinga Rao; Srinivasan, A.","PtCl<sub>2</sub> mediated peripheral transformation of carbatriphyrin(3.1.1) into a <i>meso</i>-fused β-β' dimer and its monomer analogue.","Chemical communications (Cambridge, England)","2020","56","84","12809","12812","10.1039/d0cc05309k","","x-ray","1.54184","CuKα","","0.1577","0.0997","","","0.2694","0.3064","","","","","","1.018","","","","has coordinates","298328","2025-03-07","16:31:39",""
"7127251","26.225","0.005","5.008","0.001","10.261","0.002","90","","93.42","0.03","90","","1345.2","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1126","0.1026","","","0.2677","0.279","","","","","","1.157","","","","has coordinates","260692","2021-01-07","04:54:10",""
"7127252","26.224","0.005","5.008","0.001","10.26","0.002","90","","93.41","0.03","90","","1345.1","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1166","0.1089","","","0.2819","0.29","","","","","","1.134","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127253","26.225","0.005","5.007","0.001","10.259","0.002","90","","93.37","0.03","90","","1344.8","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1258","0.1147","","","0.3037","0.3162","","","","","","1.161","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127254","26.232","0.005","5.008","0.001","10.264","0.002","90","","93.43","0.03","90","","1346","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1238","0.1172","","","0.3095","0.3177","","","","","","1.066","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127255","26.2128","0.0008","5.0027","0.0001","10.2514","0.0003","90","","93.435","0.002","90","","1341.9","0.06","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.71073","MoKα","","0.0807","0.0543","","","0.1154","0.1273","","","","","","1.045","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127256","26.233","0.005","5.007","0.001","10.266","0.002","90","","93.36","0.03","90","","1346.1","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1161","0.1087","","","0.2847","0.2941","","","","","","1.096","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127257","26.219","0.005","5.009","0.001","10.26","0.002","90","","93.4","0.03","90","","1345.1","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1346","0.1265","","","0.3334","0.3447","","","","","","1.108","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127258","26.23","0.005","5.008","0.001","10.263","0.002","90","","93.46","0.03","90","","1345.7","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1082","0.1017","","","0.2625","0.2696","","","","","","1.097","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127259","26.226","0.005","5.007","0.001","10.264","0.002","90","","93.46","0.03","90","","1345.3","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1141","0.1063","","","0.2828","0.2908","","","","","","1.163","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127260","26.229","0.005","5.008","0.001","10.259","0.002","90","","93.39","0.03","90","","1345.2","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1077","0.0995","","","0.2587","0.267","","","","","","1.135","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127261","26.223","0.005","5.007","0.001","10.266","0.002","90","","93.45","0.03","90","","1345.5","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1288","0.1187","","","0.3137","0.3253","","","","","","1.129","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127262","26.23","0.005","5.008","0.001","10.263","0.002","90","","93.49","0.03","90","","1345.6","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1081","0.1011","","","0.2576","0.2646","","","","","","1.106","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127263","26.231","0.005","5.008","0.001","10.259","0.002","90","","93.42","0.03","90","","1345.3","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1092","0.101","","","0.263","0.2705","","","","","","1.129","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127264","26.231","0.005","5.008","0.001","10.262","0.002","90","","93.44","0.03","90","","1345.6","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Bhandary, Subhrajyoti; Thompson, Amy J.; McMurtrie, John C.; Clegg, Jack K.; Ghosh, Peuli; Mangalampalli, S. R. N. Kiran; Takamizawa, Satoshi; Chopra, Deepak","The mechanism of bending in a plastically flexible crystal.","Chemical communications (Cambridge, England)","2020","56","84","12841","12844","10.1039/d0cc05904h","","","0.710753","synchrotron","","0.1072","0.1006","","","0.2567","0.2627","","","","","","1.104","","","","has coordinates","260692","2021-01-07","04:54:11",""
"7127265","22.1643","0.0014","16.4288","0.001","23.8287","0.0015","90","","93.08","0.002","90","","8664.3","0.9","99.98","","99.98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H106 N4 O77 Zn14 -","- C104 H106 N4 O77 Zn14 -","- C208 H212 N8 O154 Zn28 -","2","0.5","","Li, Chuan-Ping; Long, Wei-Wei; Lei, Zhen; Guo, Ling; Xie, Ming-Jun; Lü, Jian; Zhu, Xian-Dong","Anionic metal-organic framework as a unique turn-on fluorescent chemical sensor for ultra-sensitive detection of antibiotics.","Chemical communications (Cambridge, England)","2020","56","82","12403","12406","10.1039/d0cc05175f","","","1.54178","CuKα","","0.0763","0.0754","","","0.1993","0.1998","","","","","","1.07","","","","has coordinates,has disorder","260726","2021-01-07","05:01:58",""
"7127266","15.5992","0.0007","11.4432","0.0005","23.1873","0.0009","90","","94.693","0.002","90","","4125.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H64 N4 Si4 Yb -","- C34 H64 N4 Si4 Yb -","- C136 H256 N16 Si16 Yb4 -","4","1","","Lapshin, Ivan V.; Cherkasov, Anton V.; Asachenko, Andrey F.; Trifonov, Alexander A.","Ln(II) amido complexes coordinated by ring-expanded N-heterocyclic carbenes - promising catalysts for olefin hydrophosphination.","Chemical communications (Cambridge, England)","2020","56","85","12913","12916","10.1039/d0cc05424k","","","0.71073","MoKα","","0.0336","0.0276","","","0.065","0.0678","","","","","","1.017","","","","has coordinates,has disorder","260675","2021-01-07","04:49:49",""
"7127267","15.5699","0.0003","11.47","0.0002","23.5397","0.0005","90","","94.58","0.002","90","","4190.45","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H64 N4 Si4 Sm -","- C34 H64 N4 Si4 Sm -","- C136 H256 N16 Si16 Sm4 -","4","1","","Lapshin, Ivan V.; Cherkasov, Anton V.; Asachenko, Andrey F.; Trifonov, Alexander A.","Ln(II) amido complexes coordinated by ring-expanded N-heterocyclic carbenes - promising catalysts for olefin hydrophosphination.","Chemical communications (Cambridge, England)","2020","56","85","12913","12916","10.1039/d0cc05424k","","","0.71073","MoKα","","0.0634","0.0429","","","0.0828","0.0891","","","","","","1.073","","","","has coordinates","260675","2021-01-07","04:49:49",""
"7127268","26.9151","0.0004","13.9396","0.0002","7.31714","0.00013","90","","90","","90","","2745.29","0.07","293.01","0.11","293.01","0.11","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C33 H28 F2 N2 O4 -","- C33 H28 F2 N2 O4 -","- C132 H112 F8 N8 O16 -","4","1","","Shi, Wei-Yu; Ding, Ya-Nan; Liu, Ce; Zheng, Nian; Gou, Xue-Ya; Li, Ming; Zhang, Zhe; Liu, Hong-Chao; Niu, Zhi-Jie; Liang, Yong-Min","Three-component ruthenium-catalyzed remote C-H functionalization of 8-aminoquinoline amides.","Chemical communications (Cambridge, England)","2020","56","84","12729","12732","10.1039/d0cc05491g","","x-ray","1.54184","CuKα","","0.0365","0.0337","","","0.0839","0.0864","","","","","","1.066","","","","has coordinates","260700","2021-01-07","04:56:04",""
"7127269","9.6672","0.0006","9.6302","0.0005","9.0564","0.0006","90","","101.776","0.002","90","","825.38","0.09","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 N12 O16 -","- C6 N12 O16 -","- C12 N24 O32 -","2","0.5","","Mohammad, Khaja; Thaltiri, Vikranth; Kommu, Nagarjuna; Vargeese, Anuj A.","Octanitropyrazolopyrazole: a gem-trinitromethyl based green high-density energetic oxidizer.","Chemical communications (Cambridge, England)","2020","56","85","12945","12948","10.1039/d0cc05704e","","","0.71073","MoKα","","0.0452","0.0381","","","0.1009","0.1077","","","","","","1.045","","","","has coordinates","260671","2021-01-07","04:49:14",""
"7127270","8.8744","0.0006","11.4021","0.0007","60.208","0.004","90","","90","","90","","6092.3","0.7","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C336 H256 O48 -","16","2","","Yasui, Takeshi; Kikuchi, Tomohiro; Yamamoto, Yoshihiko","Rhodium-catalyzed cycloisomerization of ester-tethered 1,6-diynes with cyclopropanol moiety leading to tetralone/exocyclic diene hybrid molecules.","Chemical communications (Cambridge, England)","2020","56","84","12865","12868","10.1039/d0cc05429a","","","1.54187","CuKα","","0.16","0.1092","","","0.2772","0.3326","","","","","","1.069","","","","has coordinates","260701","2021-01-07","04:56:19",""
"7127271","13.017","0.0006","10.8103","0.0005","13.8173","0.0006","90","","110.376","0.002","90","","1822.68","0.14","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 O3 -","- C24 H20 O3 -","- C96 H80 O12 -","4","1","","Yasui, Takeshi; Kikuchi, Tomohiro; Yamamoto, Yoshihiko","Rhodium-catalyzed cycloisomerization of ester-tethered 1,6-diynes with cyclopropanol moiety leading to tetralone/exocyclic diene hybrid molecules.","Chemical communications (Cambridge, England)","2020","56","84","12865","12868","10.1039/d0cc05429a","","","1.54187","CuKα","","0.1887","0.1038","","","0.2601","0.3372","","","","","","0.881","","","","has coordinates","260701","2021-01-07","04:56:21",""
"7127272","8.6683","0.0012","8.386","0.001","11.3586","0.0014","90","","110.379","0.008","90","","774","0.18","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C38 H40 O6 -","2","1","","Yasui, Takeshi; Kikuchi, Tomohiro; Yamamoto, Yoshihiko","Rhodium-catalyzed cycloisomerization of ester-tethered 1,6-diynes with cyclopropanol moiety leading to tetralone/exocyclic diene hybrid molecules.","Chemical communications (Cambridge, England)","2020","56","84","12865","12868","10.1039/d0cc05429a","","","1.54187","CuKα","","0.0586","0.0386","","","0.0976","0.1248","","","","","","1.174","","","","has coordinates","260701","2021-01-07","04:56:21",""
"7127273","9.6092","0.0003","8.1201","0.0003","10.9799","0.0004","90","","116.426","0.0018","90","","767.22","0.05","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C42 H32 O6 -","2","1","","Yasui, Takeshi; Kikuchi, Tomohiro; Yamamoto, Yoshihiko","Rhodium-catalyzed cycloisomerization of ester-tethered 1,6-diynes with cyclopropanol moiety leading to tetralone/exocyclic diene hybrid molecules.","Chemical communications (Cambridge, England)","2020","56","84","12865","12868","10.1039/d0cc05429a","","","1.54187","CuKα","","0.0333","0.0317","","","0.08","0.0822","","","","","","1.076","","","","has coordinates","260701","2021-01-07","04:56:21",""
"7127274","15.8736","0.0005","9.6592","0.0003","10.7426","0.0003","90","","93.45","0.002","90","","1644.14","0.09","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O3 -","- C22 H18 O3 -","- C88 H72 O12 -","4","1","","Yasui, Takeshi; Kikuchi, Tomohiro; Yamamoto, Yoshihiko","Rhodium-catalyzed cycloisomerization of ester-tethered 1,6-diynes with cyclopropanol moiety leading to tetralone/exocyclic diene hybrid molecules.","Chemical communications (Cambridge, England)","2020","56","84","12865","12868","10.1039/d0cc05429a","","","1.54187","CuKα","","0.1118","0.0773","","","0.2382","0.3302","","","","","","1.268","","","","has coordinates","260701","2021-01-07","04:56:21",""
"7127275","20.155","0.0015","4.7512","0.0004","26.999","0.002","90","","90","","90","","2585.4","0.3","100","2","100","2","","","","","","","","2","C m c e","-C 2ac 2","64","","","","- C9.75 H7.75 -","- C9 H6 -","- C144 H96 -","16","1","","Jiménez, Vicente G; Mayorga-Burrezo, Paula; Blanco, Victor; Lloveras, Vega; Gómez-García, Carlos J; Šolomek, Tomáš; Cuerva, Juan M.; Veciana, Jaume; Campaña, Araceli G","Dibenzocycloheptatriene as end-group of Thiele and tetrabenzo-Chichibabin hydrocarbons.","Chemical communications (Cambridge, England)","2020","56","84","12813","12816","10.1039/d0cc04489j","","","0.71073","MoKα","","0.0437","0.0392","","","0.1015","0.1044","","","","","","1.089","","","","has coordinates","260689","2021-01-07","04:53:44",""
"7127276","10.9191","0.0006","14.2474","0.0008","15.1184","0.0009","87.56","0.002","70.753","0.002","71.905","0.002","2106","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H40 Cl2 O2 -","- C59 H40 Cl2 O2 -","- C118 H80 Cl4 O4 -","2","1","","Jiménez, Vicente G; Mayorga-Burrezo, Paula; Blanco, Victor; Lloveras, Vega; Gómez-García, Carlos J; Šolomek, Tomáš; Cuerva, Juan M.; Veciana, Jaume; Campaña, Araceli G","Dibenzocycloheptatriene as end-group of Thiele and tetrabenzo-Chichibabin hydrocarbons.","Chemical communications (Cambridge, England)","2020","56","84","12813","12816","10.1039/d0cc04489j","","","0.71073","MoKα","","0.0849","0.0669","","","0.1845","0.1951","","","","","","1.103","","","","has coordinates","260689","2021-01-07","04:53:44",""
"7127277","11.8642","0.0015","13.1675","0.0015","17.343","0.002","68.772","0.006","78.937","0.008","63.277","0.005","2254.4","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H42 Cl2 O4 P4 Pd2 -","- C48 H42 Cl2 O4 P4 Pd2 -","- C96 H84 Cl4 O8 P8 Pd4 -","2","1","","Oka, Sayaka; Shigehiro, Yuma; Kataoka, Yasutaka; Ura, Yasuyuki","Secondary phosphine oxide-triggered selective oxygenation of a benzyl ligand on palladium.","Chemical communications (Cambridge, England)","2020","56","85","12977","12980","10.1039/d0cc05572g","","","0.71075","MoKα","","0.0569","0.0398","","","0.0762","0.0861","","","","","","1.08","","","","has coordinates","260670","2021-01-07","04:49:00",""
"7127278","10.05","0.004","13.715","0.005","23.78","0.008","78.415","0.007","81.104","0.007","86.079","0.007","3170","2","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H44 Cl2 O2.67 P2 Pd2 -","- C42 H44 Cl2 O2.66667 P2 Pd2 -","- C126 H132 Cl6 O8 P6 Pd6 -","3","1.5","","Oka, Sayaka; Shigehiro, Yuma; Kataoka, Yasutaka; Ura, Yasuyuki","Secondary phosphine oxide-triggered selective oxygenation of a benzyl ligand on palladium.","Chemical communications (Cambridge, England)","2020","56","85","12977","12980","10.1039/d0cc05572g","","","0.71075","MoKα","","0.0894","0.0591","","","0.1521","0.1888","","","","","","1.094","","","","has coordinates,has disorder","260670","2021-01-07","04:49:00",""
"7127279","8.8444","0.0008","14.0029","0.0013","13.7453","0.0013","90","","99.99","0.002","90","","1676.5","0.3","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H37 Cl2 Mn N7 O9 -","- C28 H37 Cl2 Mn N7 O9 -","- C56 H74 Cl4 Mn2 N14 O18 -","2","1","","Xu, Daqian; Sun, Qiangsheng; Lin, Jin; Sun, Wei","Ligand regulation for manganese-catalyzed enantioselective epoxidation of olefins without acid.","Chemical communications (Cambridge, England)","2020","56","86","13101","13104","10.1039/d0cc04440g","","","0.71073","MoKα","","0.0416","0.0368","","","0.1015","0.1068","","","","","","1.01","","","","has coordinates,has disorder","260606","2021-01-07","04:31:19",""
"7127280","15.3787","0.0005","16.0584","0.0006","16.3664","0.0006","85.569","0.002","82.256","0.002","71.671","0.002","3799.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","IP480F2F3","IP480F2F3","","- C103 H63 Cl9 O2 -","- C103 H63 Cl9 O2 -","- C206 H126 Cl18 O4 -","2","1","","Pozo, Iago; Peña, Diego; Guitián, Enrique; Pérez, Dolores","2,6,10-Triphenylenotriyne: a star-shaped trisaryne.","Chemical communications (Cambridge, England)","2020","56","84","12853","12856","10.1039/d0cc05686c","","","1.54178","CuKα","","0.1291","0.0874","","","0.242","0.2814","","","","","","1.034","","","","has coordinates,has disorder","260697","2021-01-07","04:55:42",""
"7127281","20.2845","0.0009","11.9988","0.0006","8.454","0.0004","90","","90","","90","","2057.62","0.17","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C15 H22 B10 S2 -","- C15 H22 B10 S2 -","- C60 H88 B40 S8 -","4","0.5","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2020","56","85","12997","13000","10.1039/d0cc05207h","","","0.71073","MoKα","","0.0517","0.0425","","","0.1185","0.1287","","","","","","1.158","","","","has coordinates","260669","2021-01-07","04:48:52",""
"7127282","19.7267","0.001","12.6094","0.0007","8.409","0.0004","90","","90","","90","","2091.67","0.19","298","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C15 H20 B10 F2 S2 -","- C15 H20 B10 F2 S2 -","- C60 H80 B40 F8 S8 -","4","0.5","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2020","56","85","12997","13000","10.1039/d0cc05207h","","","0.71073","MoKα","","0.0566","0.0404","","","0.1029","0.1145","","","","","","1.062","","","","has coordinates","260669","2021-01-07","04:48:52",""
"7127283","8.4713","0.0004","13.2354","0.0007","12.3156","0.0006","90","","90","","90","","1380.84","0.12","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C5 H18 B10 S2 -","- C5 H18 B10 S2 -","- C20 H72 B40 S8 -","4","0.5","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2020","56","85","12997","13000","10.1039/d0cc05207h","","","0.71073","MoKα","","0.0425","0.0378","","","0.1125","0.1179","","","","","","1.098","","","","has coordinates","260669","2021-01-07","04:48:52",""
"7127284","21.136","0.005","12.146","0.002","8.5666","0.0015","90","","90","","90","","2199.2","0.7","298","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C15 H20 B10 Cl2 S2 -","- C15 H20 B10 Cl2 S2 -","- C60 H80 B40 Cl8 S8 -","4","0.5","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2020","56","85","12997","13000","10.1039/d0cc05207h","","","0.71073","MoKα","","0.0389","0.0358","","","0.0908","0.0939","","","","","","1.088","","","","has coordinates","260669","2021-01-07","04:48:52",""
"7127285","25.878","0.0011","11.6738","0.0005","20.3229","0.0009","90","","128.273","0.0011","90","","4819.9","0.4","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 B10 S2 -","- C20 H24 B10 S2 -","- C160 H192 B80 S16 -","8","1","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2020","56","85","12997","13000","10.1039/d0cc05207h","","","0.71073","MoKα","","0.0607","0.0476","","","0.1311","0.1446","","","","","","1.06","","","","has coordinates","260669","2021-01-07","04:48:52",""
"7127286","19.6577","0.0009","12.2928","0.0009","8.5569","0.0004","90","","90","","90","","2067.8","0.2","297","2","297","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C15 H22 B10 Se2 -","- C15 H22 B10 Se2 -","- C60 H88 B40 Se8 -","4","0.5","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2020","56","85","12997","13000","10.1039/d0cc05207h","","","0.71073","MoKα","","0.0308","0.0283","","","0.0706","0.0723","","","","","","1.055","","","","has coordinates","260669","2021-01-07","04:48:52",""
"7127287","17.4444","0.0008","11.2142","0.0005","23.4319","0.0011","90","","90","","90","","4583.9","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H20 B10 Br2 S2 -","- C15 H20 B10 Br2 S2 -","- C120 H160 B80 Br16 S16 -","8","1","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2020","56","85","12997","13000","10.1039/d0cc05207h","","","0.71073","MoKα","","0.0535","0.0423","","","0.1039","0.1137","","","","","","1.052","","","","has coordinates","260669","2021-01-07","04:48:52",""
"7127288","19.5554","0.0009","12.2522","0.0009","8.6766","0.0005","90","","90","","90","","2078.9","0.2","296","2","296","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C15 H22 B10 O2 S2 -","- C15 H22 B10 O2 S2 -","- C60 H88 B40 O8 S8 -","4","0.5","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2020","56","85","12997","13000","10.1039/d0cc05207h","","","0.71073","MoKα","","0.0528","0.0459","","","0.1112","0.1158","","","","","","1.12","","","","has coordinates","260669","2021-01-07","04:48:52",""
"7127289","16.5682","0.0004","15.2566","0.0004","28.2917","0.0007","90","","90.006","0.001","90","","7151.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H39 B2 F40 Sb -","- C79 H39 B2 F40 Sb -","- C316 H156 B8 F160 Sb4 -","4","1","","Zhou, Jiliang; Kim, Hyehwang; Liu, Liu Leo; Cao, Levy L.; Stephan, Douglas W.","An arene-stabilized η<sup>5</sup>-pentamethylcyclopentadienyl antimony dication acts as a source of Sb<sup>+</sup> or Sb<sup>3+</sup> cations.","Chemical communications (Cambridge, England)","2020","56","85","12953","12956","10.1039/d0cc02710c","","","0.71073","MoKα","","0.098","0.0484","","","0.0992","0.1197","","","","","","1.022","","","","has coordinates","260674","2021-01-07","04:49:40",""
"7127290","9.101","0.0004","13.275","0.0006","13.8328","0.0006","81.615","0.002","86.39","0.002","84.352","0.002","1643.32","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H21 F9 N4 O9.5 S3 Sb -","- C25 H21 F9 N4 O9.5 S3 Sb -","- C50 H42 F18 N8 O19 S6 Sb2 -","2","1","","Zhou, Jiliang; Kim, Hyehwang; Liu, Liu Leo; Cao, Levy L.; Stephan, Douglas W.","An arene-stabilized η<sup>5</sup>-pentamethylcyclopentadienyl antimony dication acts as a source of Sb<sup>+</sup> or Sb<sup>3+</sup> cations.","Chemical communications (Cambridge, England)","2020","56","85","12953","12956","10.1039/d0cc02710c","","","0.71073","MoKα","","0.0364","0.0325","","","0.09","0.0929","","","","","","1.029","","","","has coordinates,has disorder","260674","2021-01-07","04:49:40",""
"7127291","19.218","0.003","8.3161","0.0012","20.922","0.003","90","","111.897","0.004","90","","3102.5","0.8","150","2","150","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C61 H64 B F20 N4 Sb -","- C61 H64 B F20 N4 Sb -","- C122 H128 B2 F40 N8 Sb2 -","2","0.5","","Zhou, Jiliang; Kim, Hyehwang; Liu, Liu Leo; Cao, Levy L.; Stephan, Douglas W.","An arene-stabilized η<sup>5</sup>-pentamethylcyclopentadienyl antimony dication acts as a source of Sb<sup>+</sup> or Sb<sup>3+</sup> cations.","Chemical communications (Cambridge, England)","2020","56","85","12953","12956","10.1039/d0cc02710c","","","0.71073","MoKα","","0.0504","0.0385","","","0.0944","0.1001","","","","","","1.086","","","","has coordinates,has disorder","260674","2021-01-07","04:49:40",""
"7127292","6.0451","0.0005","8.3029","0.0004","9.2867","0.0005","107.436","0.005","107.421","0.007","90.517","0.006","421.8","0.05","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H21 N O2 S -","- C20 H21 N O2 S -","- C20 H21 N O2 S -","1","1","","Tao, Mengna; Li, Wenbo; Zhang, Junliang","Pd/Xiang-Phos-catalyzed enantioselective intermolecular carboheterofunctionalization of norbornene and norbornadiene.","Chemical communications (Cambridge, England)","2020","56","86","13125","13128","10.1039/d0cc04996d","","x-ray","1.54184","CuKα","","0.0674","0.0645","","","0.1717","0.1754","","","","","","1.073","","","","has coordinates","260598","2021-01-07","04:30:18",""
"7127293","6.0733","0.0002","11.523","0.0003","17.1932","0.0004","90","","90","","90","","1203.23","0.06","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Tao, Mengna; Li, Wenbo; Zhang, Junliang","Pd/Xiang-Phos-catalyzed enantioselective intermolecular carboheterofunctionalization of norbornene and norbornadiene.","Chemical communications (Cambridge, England)","2020","56","86","13125","13128","10.1039/d0cc04996d","","x-ray","1.54184","CuKα","","0.0346","0.0335","","","0.0855","0.0863","","","","","","1.059","","","","has coordinates","260598","2021-01-07","04:30:18",""
"7127294","10.011","0.004","13.646","0.005","16.369","0.006","66.564","0.005","72.663","0.005","78.969","0.005","1951.7","1.3","100","","100","","","","","","","","","7","P 1","P 1","1","","","","- C35 H35 F6 N5 O11 Ru S2 -","- C35 H35 F6 N5 O11 Ru S2 -","- C70 H70 F12 N10 O22 Ru2 S4 -","2","2","","Hirahara, Masanari; Goto, Hiroki; Yagi, Masayuki; Umemura, Yasushi","A multi-stimuli responsive ruthenium complex for catalytic water oxidation.","Chemical communications (Cambridge, England)","2020","56","84","12825","12828","10.1039/d0cc04940a","","","0.71073","MoKα","","0.1096","0.0647","","","0.0868","0.1027","","","","","","1.0033","","","","has coordinates,has disorder","260686","2021-01-07","04:53:10",""
"7127295","11.5955","0.0002","13.3944","0.0002","13.4286","0.0002","94.6542","0.0009","108.322","0.0008","99.0418","0.0009","1936.28","0.05","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H35 F6 N5 O11 Ru S2 -","- C35 H35 F6 N5 O11 Ru S2 -","- C70 H70 F12 N10 O22 Ru2 S4 -","2","1","","Hirahara, Masanari; Goto, Hiroki; Yagi, Masayuki; Umemura, Yasushi","A multi-stimuli responsive ruthenium complex for catalytic water oxidation.","Chemical communications (Cambridge, England)","2020","56","84","12825","12828","10.1039/d0cc04940a","","","0.71073","MoKα","","0.0651","0.0391","","","0.0729","0.084","","","","","","1.0508","","","","has coordinates,has disorder","260686","2021-01-07","04:53:11",""
"7127296","13.556","0.003","13.655","0.003","16.754","0.003","71.32","0.002","88.136","0.002","61.543","0.002","2556","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H50 N7 O3 P2 Re -","- C58 H48 N7 O3 P2 Re -","- C116 H96 N14 O6 P4 Re2 -","2","1","","Sasaki, Kenta; Yamate, Hitomi; Yoshino, Haruka; Miura, Hiroki; Shimoda, Yuushi; Miyata, Kiyoshi; Onda, Ken; Ohtani, Ryo; Ohba, Masaaki","Vapor switching of the luminescence mechanism in a Re(V) complex.","Chemical communications (Cambridge, England)","2020","56","85","12961","12964","10.1039/d0cc05462c","","","0.71073","MoKα","","0.0293","0.0244","","","0.0518","0.0536","","","","","","1.043","","","","has coordinates,has disorder","260667","2021-01-07","04:48:31",""
"7127297","13.437","0.002","13.848","0.002","16.639","0.003","71.036","0.002","89.469","0.002","61.39","0.002","2530.3","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H43 N5 O5 P2 Re -","- C55 H43 N5 O5 P2 Re -","- C110 H86 N10 O10 P4 Re2 -","2","1","","Sasaki, Kenta; Yamate, Hitomi; Yoshino, Haruka; Miura, Hiroki; Shimoda, Yuushi; Miyata, Kiyoshi; Onda, Ken; Ohtani, Ryo; Ohba, Masaaki","Vapor switching of the luminescence mechanism in a Re(V) complex.","Chemical communications (Cambridge, England)","2020","56","85","12961","12964","10.1039/d0cc05462c","","","0.71073","MoKα","","0.0499","0.0386","","","0.0856","0.0916","","","","","","1.11","","","","has coordinates,has disorder","260667","2021-01-07","04:48:32",""
"7127298","13.6167","0.001","14.0119","0.001","15.9593","0.0011","109.223","0.001","90.428","0.001","106.99","0.001","2731.5","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H56 N7 O2 P2 Re -","- C62 H56 N7 O2 P2 Re -","- C124 H112 N14 O4 P4 Re2 -","2","1","","Sasaki, Kenta; Yamate, Hitomi; Yoshino, Haruka; Miura, Hiroki; Shimoda, Yuushi; Miyata, Kiyoshi; Onda, Ken; Ohtani, Ryo; Ohba, Masaaki","Vapor switching of the luminescence mechanism in a Re(V) complex.","Chemical communications (Cambridge, England)","2020","56","85","12961","12964","10.1039/d0cc05462c","","","0.71073","MoKα","","0.028","0.0247","","","0.0595","0.061","","","","","","1.051","","","","has coordinates","260667","2021-01-07","04:48:32",""
"7127299","11.0034","0.0001","12.6502","0.0001","23.9841","0.0002","90","","98.435","0.001","90","","3302.36","0.05","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O2 Pt -","- C19 H13 N3 O2 Pt -","- C152 H104 N24 O16 Pt8 -","8","2","","Schneider, Matthew L.; Linder-Patton, Oliver M; Bloch, Witold M.","A covalent deprotection strategy for assembling supramolecular coordination polymers from metal-organic cages.","Chemical communications (Cambridge, England)","2020","56","85","12969","12972","10.1039/d0cc05349j","","x-ray","1.54184","CuKα","","0.0269","0.0258","","","0.0682","0.0689","","","","","","1.073","","","","has coordinates","260677","2021-01-07","04:50:51",""
"7127300","30.2541","0.0005","30.2541","0.0005","10.0134","0.0002","90","","90","","120","","7937.4","0.2","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C21 H17 N3 O2 Pt -","- C21 H17 N3 O2 Pt -","- C378 H306 N54 O36 Pt18 -","18","1","","Schneider, Matthew L.; Linder-Patton, Oliver M; Bloch, Witold M.","A covalent deprotection strategy for assembling supramolecular coordination polymers from metal-organic cages.","Chemical communications (Cambridge, England)","2020","56","85","12969","12972","10.1039/d0cc05349j","","x-ray","1.54184","CuKα","","0.0262","0.0239","","","0.0625","0.0634","","","","","","1.079","","","","has coordinates","260677","2021-01-07","04:50:51",""
"7127301","30.4714","0.0003","30.4714","0.0003","10.0419","0.0001","90","","90","","120","","8074.79","0.14","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19 H14.33 N3 O2.67 Pt -","- C19 H13 N3 O2.6666 Pt -","- C342 H234 N54 O47.9988 Pt18 -","18","1","","Schneider, Matthew L.; Linder-Patton, Oliver M; Bloch, Witold M.","A covalent deprotection strategy for assembling supramolecular coordination polymers from metal-organic cages.","Chemical communications (Cambridge, England)","2020","56","85","12969","12972","10.1039/d0cc05349j","","x-ray","1.54184","CuKα","","0.0216","0.0212","","","0.0579","0.0582","","","","","","1.142","","","","has coordinates,has disorder","260677","2021-01-07","04:50:51",""
"7127302","30.402","0.002","30.402","0.002","10.0404","0.0008","90","","90","","120","","8036.9","1","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19 H13 N3 O2 Pt -","- C19 H13 N3 O2 Pt -","- C342 H234 N54 O36 Pt18 -","18","1","","Schneider, Matthew L.; Linder-Patton, Oliver M; Bloch, Witold M.","A covalent deprotection strategy for assembling supramolecular coordination polymers from metal-organic cages.","Chemical communications (Cambridge, England)","2020","56","85","12969","12972","10.1039/d0cc05349j","","x-ray","1.54184","CuKα","","0.0959","0.0719","","","0.1495","0.1599","","","","","","1.086","","","","has coordinates","260677","2021-01-07","04:50:51",""
"7127303","30.2896","0.0003","30.2896","0.0003","10.057","0.0001","90","","90","","120","","7990.72","0.14","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C21 H17 N3 O2 Pt -","- C21 H17 N3 O2 Pt -","- C378 H306 N54 O36 Pt18 -","18","1","","Schneider, Matthew L.; Linder-Patton, Oliver M; Bloch, Witold M.","A covalent deprotection strategy for assembling supramolecular coordination polymers from metal-organic cages.","Chemical communications (Cambridge, England)","2020","56","85","12969","12972","10.1039/d0cc05349j","","","1.54184","CuKα","","0.027","0.0259","","","0.0735","0.0742","","","","","","1.092","","","","has coordinates,has disorder","260677","2021-01-07","04:50:51",""
"7127304","9.4001","0.0014","10.1799","0.0014","19.692","0.003","96.945","0.008","98.651","0.007","92.505","0.007","1845.6","0.5","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H52 Cl0.33 Co N2.33 P3 -","- C39 H52 Cl0.334 Co N2.332 P3 -","- C78 H104 Cl0.668 Co2 N4.664 P6 -","2","1","","Wang, Fang; Cannon, Austin T.; Bhattacharya, Moumita; Baumgarten, Robert; VanderLinden, Ryan T.; Saouma, Caroline T.","Hydrogenation and electrocatalytic reduction of carbon dioxide to formate with a single Co catalyst.","Chemical communications (Cambridge, England)","2020","56","81","12142","12145","10.1039/d0cc04310a","","","0.71073","MoKα","","0.0545","0.0368","","","0.08","0.086","","","","","","1.049","","","","has coordinates,has disorder","260621","2021-01-07","04:36:17",""
"7127305","11.1139","0.0003","17.2203","0.0005","36.7506","0.0011","90","","90","","90","","7033.5","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H48 Cl Co N P3 -","- C37 H48 Cl Co N P3 -","- C296 H384 Cl8 Co8 N8 P24 -","8","1","","Wang, Fang; Cannon, Austin T.; Bhattacharya, Moumita; Baumgarten, Robert; VanderLinden, Ryan T.; Saouma, Caroline T.","Hydrogenation and electrocatalytic reduction of carbon dioxide to formate with a single Co catalyst.","Chemical communications (Cambridge, England)","2020","56","81","12142","12145","10.1039/d0cc04310a","","","0.71073","MoKα","","0.0508","0.0333","","","0.0692","0.0765","","","","","","1.03","","","","has coordinates","260621","2021-01-07","04:36:18",""
"7127306","18.5652","0.0003","15.3844","0.0003","25.5535","0.0006","90","","90","","90","","7298.4","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H52 Cl Co N P3 -","- C39 H52 Cl Co N P3 -","- C312 H416 Cl8 Co8 N8 P24 -","8","1","","Wang, Fang; Cannon, Austin T.; Bhattacharya, Moumita; Baumgarten, Robert; VanderLinden, Ryan T.; Saouma, Caroline T.","Hydrogenation and electrocatalytic reduction of carbon dioxide to formate with a single Co catalyst.","Chemical communications (Cambridge, England)","2020","56","81","12142","12145","10.1039/d0cc04310a","","","0.71073","MoKα","","0.0388","0.0289","","","0.0676","0.0721","","","","","","1.026","","","","has coordinates","260621","2021-01-07","04:36:18",""
"7127307","18.0756","0.0009","12.9004","0.0005","16.8278","0.0007","90","","112.241","0.002","90","","3632","0.3","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H48 Cl2 Co N P3 -","- C37 H48 Cl2 Co N P3 -","- C148 H192 Cl8 Co4 N4 P12 -","4","1","","Wang, Fang; Cannon, Austin T.; Bhattacharya, Moumita; Baumgarten, Robert; VanderLinden, Ryan T.; Saouma, Caroline T.","Hydrogenation and electrocatalytic reduction of carbon dioxide to formate with a single Co catalyst.","Chemical communications (Cambridge, England)","2020","56","81","12142","12145","10.1039/d0cc04310a","","","0.71073","MoKα","","0.0634","0.0366","","","0.072","0.0803","","","","","","1.029","","","","has coordinates","260621","2021-01-07","04:36:18",""
"7127308","10.5437","0.0004","16.2502","0.0006","15.7679","0.0006","90","","98.878","0.001","90","","2669.26","0.17","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H39 Cl Co P3 -","- C25 H39 Cl Co P3 -","- C100 H156 Cl4 Co4 P12 -","4","1","","Wang, Fang; Cannon, Austin T.; Bhattacharya, Moumita; Baumgarten, Robert; VanderLinden, Ryan T.; Saouma, Caroline T.","Hydrogenation and electrocatalytic reduction of carbon dioxide to formate with a single Co catalyst.","Chemical communications (Cambridge, England)","2020","56","81","12142","12145","10.1039/d0cc04310a","","","0.71073","MoKα","","0.0379","0.0259","","","0.0601","0.0653","","","","","","1.028","","","","has coordinates","260621","2021-01-07","04:36:18",""
"7127309","12.5472","0.0015","41.432","0.004","13.4271","0.0014","90","","92.586","0.004","90","","6973","1.3","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C71 H63 B Co F24 N2 P3 -","- C71 H63 B Co F24.003 N2 P3 -","- C284 H252 B4 Co4 F96.012 N8 P12 -","4","1","","Wang, Fang; Cannon, Austin T.; Bhattacharya, Moumita; Baumgarten, Robert; VanderLinden, Ryan T.; Saouma, Caroline T.","Hydrogenation and electrocatalytic reduction of carbon dioxide to formate with a single Co catalyst.","Chemical communications (Cambridge, England)","2020","56","81","12142","12145","10.1039/d0cc04310a","","","0.71073","MoKα","","0.066","0.0434","","","0.0928","0.1011","","","","","","1.031","","","","has coordinates,has disorder","260621","2021-01-07","04:36:18",""
"7127310","11.285","0.002","15.184","0.003","21.077","0.004","89.329","0.006","89.127","0.006","75.629","0.005","3498","1.1","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H98 Co2 N4 P6 -","- C74 H98 Co2 N4 P6 -","- C148 H196 Co4 N8 P12 -","2","1","","Wang, Fang; Cannon, Austin T.; Bhattacharya, Moumita; Baumgarten, Robert; VanderLinden, Ryan T.; Saouma, Caroline T.","Hydrogenation and electrocatalytic reduction of carbon dioxide to formate with a single Co catalyst.","Chemical communications (Cambridge, England)","2020","56","81","12142","12145","10.1039/d0cc04310a","","","0.71073","MoKα","","0.0846","0.0421","","","0.0766","0.0884","","","","","","1.004","","","","has coordinates","260621","2021-01-07","04:36:18",""
"7127311","15.4027","0.0008","15.4027","0.0008","32.0302","0.0016","90","","90","","90","","7598.9","0.7","103","2","103","2","","","","","","","","6","P 41","P 4w","76","","","","- C39 H52 Cl2 Co N P3 -","- C39 H52 Cl2 Co N P3 -","- C312 H416 Cl16 Co8 N8 P24 -","8","2","","Wang, Fang; Cannon, Austin T.; Bhattacharya, Moumita; Baumgarten, Robert; VanderLinden, Ryan T.; Saouma, Caroline T.","Hydrogenation and electrocatalytic reduction of carbon dioxide to formate with a single Co catalyst.","Chemical communications (Cambridge, England)","2020","56","81","12142","12145","10.1039/d0cc04310a","","","0.71073","MoKα","","0.0358","0.0286","","","0.0573","0.0595","","","","","","1.002","","","","has coordinates","260621","2021-01-07","04:36:18",""
"7127312","9.751","0.003","12.142","0.006","17.953","0.007","72.006","0.012","76.941","0.009","71.219","0.019","1895","1.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H52 Cl Co N P3 -","- C39 H52 Cl Co N P3 -","- C78 H104 Cl2 Co2 N2 P6 -","2","1","","Wang, Fang; Cannon, Austin T.; Bhattacharya, Moumita; Baumgarten, Robert; VanderLinden, Ryan T.; Saouma, Caroline T.","Hydrogenation and electrocatalytic reduction of carbon dioxide to formate with a single Co catalyst.","Chemical communications (Cambridge, England)","2020","56","81","12142","12145","10.1039/d0cc04310a","","","0.71073","MoKα","","0.027","0.0226","","","0.059","0.0612","","","","","","1.025","","","","has coordinates","260621","2021-01-07","04:36:18",""
"7127313","22.085","0.007","9.856","0.003","22.387","0.007","90","","90","","90","","4873","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","triethyl (2,8-dioxo-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-trien-3-yl)methanetricarboxylate","","- C25 H24 O9 -","- C25 H24 O9 -","- C200 H192 O72 -","8","1","","Manna, Sabyasachi; Someswara Ashwathappa, Puneeth Kumar; Prabhu, Kandikere Ramaiah","Visible light-mediated ipso-annulation of activated alkynes: access to 3-alkylated spiro[4,5]-trienones, thiaspiro[4,5]-trienones and azaspiro[4,5]-trienones.","Chemical communications (Cambridge, England)","2020","56","86","13165","13168","10.1039/d0cc01217c","","","0.71073","MoKα","","0.1687","0.1068","","","0.2705","0.2903","","","","","","1.739","","","","has coordinates","260605","2021-01-07","04:31:13",""
"7127314","11.0034","0.0001","12.6502","0.0001","23.9841","0.0002","90","","98.435","0.001","90","","3302.36","0.05","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O2 Pt -","- C19 H13 N3 O2 Pt -","- C152 H104 N24 O16 Pt8 -","8","2","","Kimura, Mari; Yoshida, Masaki; Fujii, Sho; Miura, Atsushi; Ueno, Kosei; Shigeta, Yasuhiro; Kobayashi, Atsushi; Kato, Masako","Liquid-liquid interface-promoted formation of a porous molecular crystal based on a luminescent platinum(II) complex.","Chemical communications (Cambridge, England)","2020","56","85","12989","12992","10.1039/d0cc04164e","","x-ray","1.54184","CuKα","","0.0269","0.0258","","","0.0682","0.0689","","","","","","1.073","","","","has coordinates","260676","2021-01-07","04:50:19",""
"7127315","30.2541","0.0005","30.2541","0.0005","10.0134","0.0002","90","","90","","120","","7937.4","0.2","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C21 H17 N3 O2 Pt -","- C21 H17 N3 O2 Pt -","- C378 H306 N54 O36 Pt18 -","18","1","","Kimura, Mari; Yoshida, Masaki; Fujii, Sho; Miura, Atsushi; Ueno, Kosei; Shigeta, Yasuhiro; Kobayashi, Atsushi; Kato, Masako","Liquid-liquid interface-promoted formation of a porous molecular crystal based on a luminescent platinum(II) complex.","Chemical communications (Cambridge, England)","2020","56","85","12989","12992","10.1039/d0cc04164e","","x-ray","1.54184","CuKα","","0.0262","0.0239","","","0.0625","0.0634","","","","","","1.079","","","","has coordinates","260676","2021-01-07","04:50:19",""
"7127316","30.4714","0.0003","30.4714","0.0003","10.0419","0.0001","90","","90","","120","","8074.79","0.14","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19 H14.33 N3 O2.67 Pt -","- C19 H13 N3 O2.6666 Pt -","- C342 H234 N54 O47.9988 Pt18 -","18","1","","Kimura, Mari; Yoshida, Masaki; Fujii, Sho; Miura, Atsushi; Ueno, Kosei; Shigeta, Yasuhiro; Kobayashi, Atsushi; Kato, Masako","Liquid-liquid interface-promoted formation of a porous molecular crystal based on a luminescent platinum(II) complex.","Chemical communications (Cambridge, England)","2020","56","85","12989","12992","10.1039/d0cc04164e","","x-ray","1.54184","CuKα","","0.0216","0.0212","","","0.0579","0.0582","","","","","","1.142","","","","has coordinates,has disorder","260676","2021-01-07","04:50:19",""
"7127317","30.402","0.002","30.402","0.002","10.0404","0.0008","90","","90","","120","","8036.9","1","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19 H13 N3 O2 Pt -","- C19 H13 N3 O2 Pt -","- C342 H234 N54 O36 Pt18 -","18","1","","Kimura, Mari; Yoshida, Masaki; Fujii, Sho; Miura, Atsushi; Ueno, Kosei; Shigeta, Yasuhiro; Kobayashi, Atsushi; Kato, Masako","Liquid-liquid interface-promoted formation of a porous molecular crystal based on a luminescent platinum(II) complex.","Chemical communications (Cambridge, England)","2020","56","85","12989","12992","10.1039/d0cc04164e","","x-ray","1.54184","CuKα","","0.0959","0.0719","","","0.1495","0.1599","","","","","","1.086","","","","has coordinates","260676","2021-01-07","04:50:19",""
"7127318","30.2896","0.0003","30.2896","0.0003","10.057","0.0001","90","","90","","120","","7990.72","0.14","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C21 H17 N3 O2 Pt -","- C21 H17 N3 O2 Pt -","- C378 H306 N54 O36 Pt18 -","18","1","","Kimura, Mari; Yoshida, Masaki; Fujii, Sho; Miura, Atsushi; Ueno, Kosei; Shigeta, Yasuhiro; Kobayashi, Atsushi; Kato, Masako","Liquid-liquid interface-promoted formation of a porous molecular crystal based on a luminescent platinum(II) complex.","Chemical communications (Cambridge, England)","2020","56","85","12989","12992","10.1039/d0cc04164e","","","1.54184","CuKα","","0.027","0.0259","","","0.0735","0.0742","","","","","","1.092","","","","has coordinates,has disorder","260676","2021-01-07","04:50:19",""
"7127319","10.519","0.0005","14.5588","0.0007","22.7509","0.001","90","","90","","90","","3484.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H34 Cl4 O10 -","- C34 H33.604 Cl4 O10 -","- C136 H134.416 Cl16 O40 -","4","0.5","","Joshi, Saurabh; Yip, Yong Jie; Türel, Tankut; Verma, Sandeep; Valiyaveettil, Suresh","Cu-tetracatechol metallopolymer catalyst for three component click reactions and β-borylation of α,β-unsaturated carbonyl compounds.","Chemical communications (Cambridge, England)","2020","56","85","13044","13047","10.1039/d0cc05823h","","","0.71073","MoKα","","0.0884","0.0816","","","0.259","0.2702","","","","","","1.074","","","","has coordinates,has disorder","260673","2021-01-07","04:49:27",""
"7127320","10.0079","0.0005","11.0103","0.0005","13.8154","0.0007","68.117","0.003","74.662","0.004","67.141","0.003","1288.86","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 F N2 O5 -","- C30 H25 F N2 O5 -","- C60 H50 F2 N4 O10 -","2","1","","Lv, Yunhe; Pu, Weiya; Wang, Xiaoxing","Ligand-free copper-catalyzed regio- and stereoselective 1,1-alkylmonofluoroalkylation of terminal alkynes.","Chemical communications (Cambridge, England)","2020","56","85","12933","12936","10.1039/d0cc05887d","","","0.71073","MoKα","","0.0874","0.0659","","","0.1798","0.196","","","","","","1.087","","","","has coordinates","260672","2021-01-07","04:49:21",""
"7127321","8.8477","0.0002","14.2309","0.0002","9.6371","0.0001","90","","95.549","0.002","90","","1207.73","0.03","173","0.1","173","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H22 N2 O5 -","- C30 H22 N2 O5 -","- C60 H44 N4 O10 -","2","1","","Yuan, Xi; Wu, Xudong; Peng, Fei; Yang, Haijun; Zhu, Changjin; Fu, Hua","Organocatalytic asymmetric synthesis of arylindolyl indolin-3-ones with both axial and central chirality.","Chemical communications (Cambridge, England)","2020","56","83","12648","12651","10.1039/d0cc05432a","","x-ray","1.54184","CuKα","","0.036","0.035","","","0.0922","0.0937","","","","","","1.034","","","","has coordinates","260612","2021-01-07","04:34:03",""
"7127322","24.4848","0.0007","11.4726","0.0003","20.4806","0.0006","90","","108.738","0.001","90","","5448.2","0.3","213","2","213","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 F6 Fe N2 O7 S5 -","- C20 H20 F6 Fe N2 O7 S5 -","- C160 H160 F48 Fe8 N16 O56 S40 -","8","1","","Chan, Siu-Chung; Yeung, Chi-Fung; Shek, Hau-Lam; Ng, Sze-Wing; Tse, Sheung-Ying; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Iron(ii)-induced cycloisomerization of alkynes via""non-vinylidene"" pathways for iron(ii)-indolizine and -indolizinone complexes.","Chemical communications (Cambridge, England)","2020","56","83","12644","12647","10.1039/d0cc05081d","","","1.54178","CuKα","","0.0717","0.0595","","","0.1737","0.1871","","","","","","1.178","","","","has coordinates,has disorder","260618","2021-01-07","04:35:16",""
"7127323","10.277","0.0005","14.2819","0.0008","15.9309","0.0009","88","0.002","71.475","0.002","89.017","0.002","2215.7","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H42 F6 Fe N3 O8.5 S5 -","- C40 H42 F6 Fe N3 O8.5 S5 -","- C80 H84 F12 Fe2 N6 O17 S10 -","2","1","","Chan, Siu-Chung; Yeung, Chi-Fung; Shek, Hau-Lam; Ng, Sze-Wing; Tse, Sheung-Ying; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Iron(ii)-induced cycloisomerization of alkynes via""non-vinylidene"" pathways for iron(ii)-indolizine and -indolizinone complexes.","Chemical communications (Cambridge, England)","2020","56","83","12644","12647","10.1039/d0cc05081d","","","0.71073","MoKα","","0.117","0.0756","","","0.1951","0.2304","","","","","","1.031","","","","has coordinates,has disorder","260618","2021-01-07","04:35:17",""
"7127324","13.0248","0.0008","13.4754","0.0009","21.3868","0.0013","86.09","0.002","76.878","0.002","81.685","0.002","3614.8","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H29 F6 Fe N3 O7 S5 -","- C33 H29 F6 Fe N3 O7 S5 -","- C132 H116 F24 Fe4 N12 O28 S20 -","4","2","","Chan, Siu-Chung; Yeung, Chi-Fung; Shek, Hau-Lam; Ng, Sze-Wing; Tse, Sheung-Ying; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Iron(ii)-induced cycloisomerization of alkynes via""non-vinylidene"" pathways for iron(ii)-indolizine and -indolizinone complexes.","Chemical communications (Cambridge, England)","2020","56","83","12644","12647","10.1039/d0cc05081d","","","0.71073","MoKα","","0.1141","0.0937","","","0.2569","0.2745","","","","","","1.018","","","","has coordinates,has disorder","260618","2021-01-07","04:35:17",""
"7127325","14.2635","0.0004","17.4695","0.0006","30.1975","0.001","90","","90","","90","","7524.5","0.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H31 F6 Fe N3 O7 S5 -","- C35 H31 F6 Fe N3 O7 S5 -","- C280 H248 F48 Fe8 N24 O56 S40 -","8","1","","Chan, Siu-Chung; Yeung, Chi-Fung; Shek, Hau-Lam; Ng, Sze-Wing; Tse, Sheung-Ying; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Iron(ii)-induced cycloisomerization of alkynes via""non-vinylidene"" pathways for iron(ii)-indolizine and -indolizinone complexes.","Chemical communications (Cambridge, England)","2020","56","83","12644","12647","10.1039/d0cc05081d","","","0.71073","MoKα","","0.0847","0.0504","","","0.104","0.1224","","","","","","1.026","","","","has coordinates","260618","2021-01-07","04:35:17",""
"7127326","10.2874","0.0006","19.8376","0.0009","11.0367","0.0006","90","","111.416","0.006","90","","2096.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 Co N6 O10 -","- C42 H44 Co N6 O10 -","- C84 H88 Co2 N12 O20 -","2","0.5","","Koyama, Shohei; Tanabe, Tappei; Takaishi, Shinya; Yamashita, Masahiro; Iguchi, Hiroaki","Preliminary chemical reduction for synthesizing a stable porous molecular conductor with neutral metal nodes.","Chemical communications (Cambridge, England)","2020","56","86","13109","13112","10.1039/d0cc03541f","","x-ray","0.71073","MoKα","","0.073","0.0449","","","0.1021","0.1141","","","","","","1.028","","","","has coordinates,has disorder","260607","2021-01-07","04:31:27",""
"7127327","19.8453","0.0007","19.8453","0.0007","9.5591","0.0007","90","","90","","120","","3260.3","0.3","120","2","120","2","","","","","","","","6","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C42 H44 Co N6 O10 Rb0.5 -","- C42 H44 Co N6 O10 Rb0.5006 -","- C126 H132 Co3 N18 O30 Rb1.5018 -","3","0.25","","Koyama, Shohei; Tanabe, Tappei; Takaishi, Shinya; Yamashita, Masahiro; Iguchi, Hiroaki","Preliminary chemical reduction for synthesizing a stable porous molecular conductor with neutral metal nodes.","Chemical communications (Cambridge, England)","2020","56","86","13109","13112","10.1039/d0cc03541f","","","0.71073","MoKα","","0.0966","0.0594","","","0.15","0.1706","","","","","","1.025","","","","has coordinates,has disorder","260607","2021-01-07","04:31:27",""
"7127328","13.98","0.003","16.129","0.003","17.64","0.004","112.192","0.007","90.973","0.007","92.718","0.006","3676.1","1.3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H75 Au5 Cl2 P3 Ru2 S0 -","- C74 H75 Au5 Cl2 P3 Ru2 -","- C148 H150 Au10 Cl4 P6 Ru4 -","2","1","","Sun, Yongnan; Yang, Dan; Zhang, Yuying; Hu, Weigang; Cheng, Xinglian; Liu, Xu; Chen, Mingyang; Zhu, Yan","Ligand-protected Au<sub>4</sub>Ru<sub>2</sub> and Au<sub>5</sub>Ru<sub>2</sub> nanoclusters: distinct structures and implications for site-cooperation catalysis.","Chemical communications (Cambridge, England)","2020","56","84","12833","12836","10.1039/d0cc04692b","","","0.71073","MoKα","","0.0314","0.0252","","","0.0638","0.0666","","","","","","1.014","","","","has coordinates","260698","2021-01-07","04:55:52",""
"7127329","6.689","0.004","10.95","0.006","13.04","0.01","90","","94.67","0.05","90","","951.9","1.1","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2,3,4,5,6-pentamethylphenyl)(1,8,8-trimethylbicyclo[3.2.1]octan-3-yl)methanone","","- C23 H34 O -","- C23 H34 O -","- C46 H68 O2 -","2","1","","Bettoni, Léo; Gaillard, Sylvain; Renaud, Jean-Luc","A phosphine-free iron complex-catalyzed synthesis of cycloalkanes <i>via</i> the borrowing hydrogen strategy.","Chemical communications (Cambridge, England)","2020","56","85","12909","12912","10.1039/d0cc05840h","","","0.71073","MoKα","","0.102","0.0575","","","0.1086","0.1227","","","","","","0.984","","","","has coordinates","260668","2021-01-07","04:48:39",""
"7127330","10.361","0.005","22.362","0.01","10.254","0.004","90","","113.65","0.008","90","","2176.2","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 4''-(tert-butyl)-6'-(methylthio)-[1,1':3',1''-terphenyl]-4'-carboxylate","","- C25 H26 O2 S -","- C25 H26 O2 S -","- C100 H104 O8 S4 -","4","1","","Parameshwar, Matam; Singam, Maneesh Kumar Reddy; Nagireddy, Attunuri; Nanubolu, Jagadeesh Babu; Reddy, Maddi Sridhar","Regioselective benzannulation of allylic sulfur ylides with ynones: a rapid access to substituted thioanisoles.","Chemical communications (Cambridge, England)","2020","56","87","13457","13460","10.1039/d0cc05436d","","","0.71073","MoKα","","0.0649","0.0505","","","0.1221","0.1328","","","","","","1.051","","","","has coordinates,has disorder","260708","2021-01-07","04:59:06",""
"7127331","15.184","0.0005","15.6113","0.0007","47.3346","0.0011","99.304","0.003","91.333","0.002","110.381","0.003","10341","0.7","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C135 F42 La2 O18 S8 -","- C135 H6 F42 La2 O18 S8 -","- C270 H12 F84 La4 O36 S16 -","2","1","","Zhang, Yuan; Zhou, Yanyan; Gao, Ting; Yan, Pengfei; Li, Hongfeng","Metal-directed synthesis of quadruple-stranded helical Eu(III) molecular switch: a significant improvement in photocyclization quantum yield.","Chemical communications (Cambridge, England)","2020","56","86","13213","13216","10.1039/d0cc05698g","","","","","","0.403","","","","","","","","","","","","","","","has coordinates","298328","2025-03-07","16:31:39",""
"7127332","22.3686","0.0014","25.4298","0.0015","17.1469","0.0013","90","","101.016","0.002","90","","9573.9","1.1","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C54 H54 N4 O15 Zn4 -","- C53.5 H54 N4 O15 Zn4 -","- C214 H216 N16 O60 Zn16 -","4","0.5","","Xi, Fu-Gui; Sun, Wei; Dong, Zhi-Yun; Yang, Ning-Ning; Gong, Teng; Gao, En-Qing","An in situ approach to functionalize metal-organic frameworks with tertiary aliphatic amino groups.","Chemical communications (Cambridge, England)","2020","56","86","13177","13180","10.1039/d0cc05568a","","","0.71073","MoKα","","0.1737","0.0827","","","0.2083","0.2655","","","","","","1.011","","","","has coordinates,has disorder","260601","2021-01-07","04:30:47",""
"7127333","8.9194","0.0017","8.8509","0.0017","25.242","0.005","90","","90.154","0.002","90","","1992.7","0.7","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9.6 H21.12 Eu O18 S3 -","- C9.6 H20.9 Eu O18 S3 -","- C38.4 H83.6 Eu4 O72 S12 -","4","1","","Ruaysap, Makabodee; Kennedy, Stuart R.; Mayhan, Collin M.; Kelley, Steven P.; Kumari, Harshita; Deakyne, Carol A.; Atwood, Jerry L.","Novel keto-enol tautomerism in 1,3,5-trihydroxybenzene systems.","Chemical communications (Cambridge, England)","2020","56","85","12985","12988","10.1039/d0cc03639k","","","0.71073","MoKα","","0.0322","0.0293","","","0.0737","0.075","","","","","","1.104","","","","has coordinates,has disorder","260666","2021-01-07","04:48:14",""
"7127334","8.9342","0.0015","8.8762","0.0015","25.291","0.004","90","","90.34","0.002","90","","2005.6","0.6","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9.6 H19.5 O18 S3 Sm -","- C9.6 H20.15 O18 S3 Sm -","- C38.4 H80.6 O72 S12 Sm4 -","4","1","","Ruaysap, Makabodee; Kennedy, Stuart R.; Mayhan, Collin M.; Kelley, Steven P.; Kumari, Harshita; Deakyne, Carol A.; Atwood, Jerry L.","Novel keto-enol tautomerism in 1,3,5-trihydroxybenzene systems.","Chemical communications (Cambridge, England)","2020","56","85","12985","12988","10.1039/d0cc03639k","","","0.71073","MoKα","","0.0365","0.0355","","","0.0875","0.0879","","","","","","1.254","","","","has coordinates,has disorder","260666","2021-01-07","04:48:14",""
"7127335","10.42782","0.00017","7.6985","0.00011","11.51764","0.00017","90","","106.53","0.0017","90","","886.41","0.02","150","0.1","150","0.1","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","(4S,4aR,11aR)-7-bromo-11a-hydroxy-4-(nitromethyl)-1,2,3,4,4a,10,11,11a-octahydro-5H-dibenzo[a,d][7]annulen-5-one","","- C16 H18 Br N O4 -","- C16 H18 Br N O4 -","- C32 H36 Br2 N2 O8 -","2","1","","Mato, Raquel; Reyes, Efraim; Carrillo, Luisa; Uria, Uxue; Prieto, Liher; Manzano, Ruben; Vicario, Jose L.","Catalytic enantioselective domino Michael/transannular aldol reaction under bifunctional catalysis.","Chemical communications (Cambridge, England)","2020","56","86","13149","13152","10.1039/d0cc05981a","","x-ray","1.54184","CuKα","","0.0596","0.0573","","","0.185","0.1885","","","","","","1.195","","","","has coordinates","260599","2021-01-07","04:30:27",""
"7127336","9.19139","0.00011","11.21187","0.00014","15.13619","0.00018","90","","90","","90","","1559.82","0.03","150","0.1","150","0.1","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","(2S,2aS,2a1S,5aR)-5a-hydroxy-2-(methoxycarbonyl)-2a,2a1,3,4,5,5a,6,7- octahydro-2H-benzo[6,7]cyclohepta[1,2,3-cd]isoindole 1-oxide","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Mato, Raquel; Reyes, Efraim; Carrillo, Luisa; Uria, Uxue; Prieto, Liher; Manzano, Ruben; Vicario, Jose L.","Catalytic enantioselective domino Michael/transannular aldol reaction under bifunctional catalysis.","Chemical communications (Cambridge, England)","2020","56","86","13149","13152","10.1039/d0cc05981a","","x-ray","1.54184","CuKα","","0.0321","0.0293","","","0.0731","0.0751","","","","","","1.055","","","","has coordinates","260599","2021-01-07","04:30:28",""
"7127337","10.663","0.0014","9.0225","0.0009","12.3447","0.0016","90","","90.216","0.005","90","","1187.6","0.2","300","2","300","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H22 Br N O S -","- C29 H22 Br N O S -","- C58 H44 Br2 N2 O2 S2 -","2","1","","Chang, Fenzhen; Shen, Bin; Wang, Sijing; Lin, Lili; Feng, Xiaoming","Lewis acid catalysed asymmetric cascade reaction of cyclopropyl ketones: concise synthesis of pyrrolobenzothiazoles.","Chemical communications (Cambridge, England)","2020","56","87","13429","13432","10.1039/d0cc05667g","","","0.71073","MoKα","","0.0478","0.0373","","","0.0864","0.0908","","","","","","1.073","","","","has coordinates","260714","2021-01-07","04:59:58",""
"7127338","7.1433","0.0002","16.4271","0.0005","18.919","0.0006","90","","90","","90","","2220.03","0.12","143","2","143","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 N O2 -","- C29 H23 N O2 -","- C116 H92 N4 O8 -","4","1","","Chang, Fenzhen; Shen, Bin; Wang, Sijing; Lin, Lili; Feng, Xiaoming","Lewis acid catalysed asymmetric cascade reaction of cyclopropyl ketones: concise synthesis of pyrrolobenzothiazoles.","Chemical communications (Cambridge, England)","2020","56","87","13429","13432","10.1039/d0cc05667g","","","1.54178","CuKα","","0.0455","0.0419","","","0.0994","0.1013","","","","","","1.079","","","","has coordinates","260714","2021-01-07","04:59:58",""
"7127339","9.7976","0.0015","8.723","0.0009","14.089","0.002","90","","110.142","0.005","90","","1130.5","0.3","303","2","303","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H23 N O S -","- C29 H23 N O S -","- C58 H46 N2 O2 S2 -","2","1","","Chang, Fenzhen; Shen, Bin; Wang, Sijing; Lin, Lili; Feng, Xiaoming","Lewis acid catalysed asymmetric cascade reaction of cyclopropyl ketones: concise synthesis of pyrrolobenzothiazoles.","Chemical communications (Cambridge, England)","2020","56","87","13429","13432","10.1039/d0cc05667g","","","0.71073","MoKα","","0.142","0.0593","","","0.1226","0.1772","","","","","","0.975","","","","has coordinates","260714","2021-01-07","04:59:58",""
"7127340","10.0966","0.0005","16.0127","0.0008","27.6462","0.0014","90","","90","","90","","4469.7","0.4","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 N O S -","- C29 H23 N O S -","- C232 H184 N8 O8 S8 -","8","2","","Chang, Fenzhen; Shen, Bin; Wang, Sijing; Lin, Lili; Feng, Xiaoming","Lewis acid catalysed asymmetric cascade reaction of cyclopropyl ketones: concise synthesis of pyrrolobenzothiazoles.","Chemical communications (Cambridge, England)","2020","56","87","13429","13432","10.1039/d0cc05667g","","","1.54178","CuKα","","0.0336","0.0305","","","0.0672","0.0691","","","","","","1.055","","","","has coordinates","296876","2024-12-16","17:34:43",""
"7127341","16.3413","0.0006","10.2541","0.0004","15.7957","0.0004","90","","91.96","0.003","90","","2645.26","0.16","219.99","0.1","219.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Eu N4 O14 -","- C22 H23 Eu N4 O14 -","- C88 H92 Eu4 N16 O56 -","4","1","","Fu, Ting; Wei, Yong-Li; Zhang, Chong; Li, Lin-Ke; Liu, Xiao-Fei; Li, Hai-Yang; Zang, Shuang-Quan","A viologen-based multifunctional Eu-MOF: photo/electro-modulated chromism and luminescence.","Chemical communications (Cambridge, England)","2020","56","86","13093","13096","10.1039/d0cc06096h","","x-ray","1.54184","CuKα","","0.1161","0.1031","","","0.2765","0.2942","","","","","","1.089","","","","has coordinates,has disorder","260602","2021-01-07","04:30:54",""
"7127342","7.7989","0.0015","9.4618","0.0018","24.171","0.005","95.058","0.002","94.646","0.003","112.464","0.002","1629.1","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C34.5 H38 Cl Ir N2 O5.5 -","- C34.5 H38 Cl Ir N2 O5.5 -","- C69 H76 Cl2 Ir2 N4 O11 -","2","1","","Nguyen, Huong T. H.; Do, Loi H.","Organoiridium-quinone conjugates for facile hydrogen peroxide generation.","Chemical communications (Cambridge, England)","2020","56","87","13381","13384","10.1039/d0cc04970k","","","0.71073","MoKα","","0.0488","0.0478","","","0.117","0.1188","","","","","","1.322","","","","has coordinates,has disorder","260715","2021-01-07","05:00:14",""
"7127343","13.2431","0.0006","13.9354","0.0008","16.0383","0.0007","89.203","0.004","87.031","0.004","67.239","0.005","2725.6","0.3","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H74 As4 Fe2 N4 -","- C54 H74 As4 Fe2 N4 -","- C108 H148 As8 Fe4 N8 -","2","1","","Spitzer, Fabian; Balázs, Gábor; Graßl, Christian; Scheer, Manfred","Iron β-diiminate complexes with As<sub>2</sub>-, As<sub>4</sub>- and As<sub>8</sub>-ligands.","Chemical communications (Cambridge, England)","2020","56","86","13209","13212","10.1039/d0cc05173j","","x-ray","1.54184","CuKα","","0.0568","0.0498","","","0.1385","0.1461","","","","","","1.056","","","","has coordinates,has disorder","260609","2021-01-07","04:31:49",""
"7127344","13.2706","0.0005","14.0867","0.0005","15.8705","0.0003","89.309","0.002","86.365","0.002","67.8","0.003","2741.13","0.16","122.97","0.14","122.97","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C54 H74 As4 Fe2 N4 -","- C54 H74 As4 Fe2 N4 -","- C108 H148 As8 Fe4 N8 -","2","1","","Spitzer, Fabian; Balázs, Gábor; Graßl, Christian; Scheer, Manfred","Iron β-diiminate complexes with As<sub>2</sub>-, As<sub>4</sub>- and As<sub>8</sub>-ligands.","Chemical communications (Cambridge, England)","2020","56","86","13209","13212","10.1039/d0cc05173j","","x-ray","1.54184","CuKα","","0.0653","0.0617","","","0.188","0.1984","","","","","","1.06","","","","has coordinates,has disorder","260609","2021-01-07","04:31:49",""
"7127345","13.60288","0.00012","14.75365","0.00014","26.0325","0.0002","82.1763","0.0008","76.4461","0.0008","78.1144","0.0008","4948.88","0.08","123","0.14","123","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C101.5 H120 As8 Fe4 N8 -","- C101.5 H120 As8 Fe4 N8 -","- C203 H240 As16 Fe8 N16 -","2","1","","Spitzer, Fabian; Balázs, Gábor; Graßl, Christian; Scheer, Manfred","Iron β-diiminate complexes with As<sub>2</sub>-, As<sub>4</sub>- and As<sub>8</sub>-ligands.","Chemical communications (Cambridge, England)","2020","56","86","13209","13212","10.1039/d0cc05173j","","x-ray","1.54184","CuKα","","0.0295","0.0279","","","0.0743","0.0754","","","","","","1.034","","","","has coordinates,has disorder","288248","2023-12-12","12:55:28",""
"7127346","24.8828","0.0007","12.9874","0.0003","26.3513","0.0007","90","","103.716","0.003","90","","8272.9","0.4","123","1","123","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C83 H92 As8 Fe4 N8 -","- C83 H92 As8 Fe4 N8 -","- C332 H368 As32 Fe16 N32 -","4","0.5","","Spitzer, Fabian; Balázs, Gábor; Graßl, Christian; Scheer, Manfred","Iron β-diiminate complexes with As<sub>2</sub>-, As<sub>4</sub>- and As<sub>8</sub>-ligands.","Chemical communications (Cambridge, England)","2020","56","86","13209","13212","10.1039/d0cc05173j","","x-ray","1.54184","CuKα","","0.0541","0.0346","","","0.0667","0.0732","","","","","","1.014","","","","has coordinates,has disorder","260609","2021-01-07","04:31:49",""
"7127347","14.2884","0.0002","13.6019","0.0001","15.3559","0.0002","90","","103.879","0.001","90","","2897.28","0.06","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H82 As3.78 Fe2 N4 -","- C58 H82 As3.7744 Fe2 N4 -","- C116 H164 As7.5488 Fe4 N8 -","2","0.5","","Spitzer, Fabian; Balázs, Gábor; Graßl, Christian; Scheer, Manfred","Iron β-diiminate complexes with As<sub>2</sub>-, As<sub>4</sub>- and As<sub>8</sub>-ligands.","Chemical communications (Cambridge, England)","2020","56","86","13209","13212","10.1039/d0cc05173j","","x-ray","1.54184","CuKα","","0.0355","0.0352","","","0.0931","0.0933","","","","","","1.043","","","","has coordinates,has disorder","260609","2021-01-07","04:31:49",""
"7127348","6.1633","0.0009","10.2878","0.0014","11.0233","0.0016","88.901","0.011","81.769","0.012","81.501","0.012","684.15","0.17","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C38 H28 N4 O2 -","2","1","","Chakraborty, Soumi; Das, Arpan; Ahmed, Jasimuddin; Barman, Sayani; Mandal, Swadhin K.","Designing a Cr-catalyst bearing redox non-innocent phenalenyl-based ligand towards hydrosilylative CO<sub>2</sub> functionalization.","Chemical communications (Cambridge, England)","2020","56","89","13788","13791","10.1039/d0cc05348a","","x-ray","0.71073","MoKα","","0.0925","0.0742","","","0.1928","0.2178","","","","","","1.033","","","","has coordinates","260656","2021-01-07","04:45:39",""
"7127349","9.8879","0.0007","16.9397","0.001","20.5976","0.0014","83.383","0.005","76.246","0.006","89.429","0.005","3328.3","0.4","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 Cl Cr N4 O5 -","- C40 H36 Cl Cr N4 O5 -","- C160 H144 Cl4 Cr4 N16 O20 -","4","2","","Chakraborty, Soumi; Das, Arpan; Ahmed, Jasimuddin; Barman, Sayani; Mandal, Swadhin K.","Designing a Cr-catalyst bearing redox non-innocent phenalenyl-based ligand towards hydrosilylative CO<sub>2</sub> functionalization.","Chemical communications (Cambridge, England)","2020","56","89","13788","13791","10.1039/d0cc05348a","","x-ray","0.71073","MoKα","","0.1123","0.1025","","","0.2616","0.2673","","","","","","1.168","","","","has coordinates","295862","2024-11-09","12:08:11",""
"7127350","10.8897","0.0004","21.2774","0.0006","11.9691","0.0004","90","","113.656","0.004","90","","2540.26","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H84 Co Li N3 O6 -","- C48 H84 Co Li N3 O6 -","- C96 H168 Co2 Li2 N6 O12 -","2","1","","Das, Chinmoy; Rasamsetty, Amaleswari; Tripathi, Shalini; Shanmugam, Maheswaran","Magnetization relaxation dynamics of a rare coordinatively unsaturated Co(II) complex: experimental and theoretical insights.","Chemical communications (Cambridge, England)","2020","56","87","13397","13400","10.1039/d0cc05963c","","","0.71073","MoKα","","0.0792","0.0604","","","0.1388","0.171","","","","","","1.145","","","","has coordinates","260713","2021-01-07","04:59:47",""
"7127351","10.0805","0.0005","10.9216","0.0005","16.5042","0.001","73.491","0.005","88.101","0.004","84.877","0.004","1735.11","0.16","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C39 H46 Cu N2 P -","- C39 H46 Cu N2 P -","- C78 H92 Cu2 N4 P2 -","2","1","","Horsley Downie, Thomas M.; Hall, Jonathan W.; Collier Finn, Thomas P.; Liptrot, David J.; Lowe, John P.; Mahon, Mary F.; McMullin, Claire L.; Whittlesey, Michael K.","The first ring-expanded NHC-copper(i) phosphides as catalysts in the highly selective hydrophosphination of isocyanates.","Chemical communications (Cambridge, England)","2020","56","87","13359","13362","10.1039/d0cc05694d","","x-ray","0.71073","MoKα","","0.0546","0.0405","","","0.0826","0.0891","","","","","","1.034","","","","has coordinates","260706","2021-01-07","04:58:48",""
"7127352","16.7653","0.0004","16.7976","0.0003","17.4582","0.0003","99.123","0.001","103.295","0.002","92.374","0.002","4708.68","0.17","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C106 H122 Cu2 N6 P2 S2 -","- C106 H122 Cu2 N6 P2 S2 -","- C212 H244 Cu4 N12 P4 S4 -","2","1","","Horsley Downie, Thomas M.; Hall, Jonathan W.; Collier Finn, Thomas P.; Liptrot, David J.; Lowe, John P.; Mahon, Mary F.; McMullin, Claire L.; Whittlesey, Michael K.","The first ring-expanded NHC-copper(i) phosphides as catalysts in the highly selective hydrophosphination of isocyanates.","Chemical communications (Cambridge, England)","2020","56","87","13359","13362","10.1039/d0cc05694d","","x-ray","1.54184","CuKα","","0.0362","0.0327","","","0.0834","0.0862","","","","","","1.011","","","","has coordinates,has disorder","260706","2021-01-07","04:58:48",""
"7127353","11.3727","0.0003","11.3954","0.0004","22.6857","0.0008","90.164","0.003","91.091","0.003","101.25","0.003","2882.91","0.17","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C68 H76 Cu2 N4 P2 -","- C68 H76 Cu2 N4 P2 -","- C136 H152 Cu4 N8 P4 -","2","1","","Horsley Downie, Thomas M.; Hall, Jonathan W.; Collier Finn, Thomas P.; Liptrot, David J.; Lowe, John P.; Mahon, Mary F.; McMullin, Claire L.; Whittlesey, Michael K.","The first ring-expanded NHC-copper(i) phosphides as catalysts in the highly selective hydrophosphination of isocyanates.","Chemical communications (Cambridge, England)","2020","56","87","13359","13362","10.1039/d0cc05694d","","x-ray","0.71073","MoKα","","0.054","0.0426","","","0.1054","0.1078","","","","","","1.056","","","","has coordinates,has disorder","260706","2021-01-07","04:58:48",""
"7127354","12.8035","0.0003","16.6298","0.0004","17.6961","0.0004","104.81","0.002","90.293","0.002","95.555","0.002","3623.82","0.15","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H50 Cu N2 P -","- C40 H50 Cu N2 P -","- C160 H200 Cu4 N8 P4 -","4","2","","Horsley Downie, Thomas M.; Hall, Jonathan W.; Collier Finn, Thomas P.; Liptrot, David J.; Lowe, John P.; Mahon, Mary F.; McMullin, Claire L.; Whittlesey, Michael K.","The first ring-expanded NHC-copper(i) phosphides as catalysts in the highly selective hydrophosphination of isocyanates.","Chemical communications (Cambridge, England)","2020","56","87","13359","13362","10.1039/d0cc05694d","","x-ray","0.71073","MoKα","","0.0672","0.0416","","","0.0836","0.0932","","","","","","1.014","","","","has coordinates","260706","2021-01-07","04:58:48",""
"7127355","12.9476","0.0003","19.6806","0.0003","13.1443","0.0003","90","","119.072","0.003","90","","2927.4","0.14","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 Cu N2 P -","- C33 H36 Cu N2 P -","- C132 H144 Cu4 N8 P4 -","4","1","","Horsley Downie, Thomas M.; Hall, Jonathan W.; Collier Finn, Thomas P.; Liptrot, David J.; Lowe, John P.; Mahon, Mary F.; McMullin, Claire L.; Whittlesey, Michael K.","The first ring-expanded NHC-copper(i) phosphides as catalysts in the highly selective hydrophosphination of isocyanates.","Chemical communications (Cambridge, England)","2020","56","87","13359","13362","10.1039/d0cc05694d","","x-ray","0.71073","MoKα","","0.045","0.0317","","","0.0732","0.0796","","","","","","1.025","","","","has coordinates","260706","2021-01-07","04:58:48",""
"7127356","10.7063","0.0001","12.6577","0.0001","32.3409","0.0003","90","","98.799","0.001","90","","4331.17","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H56 Cu N2 P S2 -","- C47 H56 Cu N2 P S2 -","- C188 H224 Cu4 N8 P4 S8 -","4","1","","Horsley Downie, Thomas M.; Hall, Jonathan W.; Collier Finn, Thomas P.; Liptrot, David J.; Lowe, John P.; Mahon, Mary F.; McMullin, Claire L.; Whittlesey, Michael K.","The first ring-expanded NHC-copper(i) phosphides as catalysts in the highly selective hydrophosphination of isocyanates.","Chemical communications (Cambridge, England)","2020","56","87","13359","13362","10.1039/d0cc05694d","","x-ray","1.54184","CuKα","","0.0498","0.0445","","","0.1161","0.1215","","","","","","1.041","","","","has coordinates,has disorder","260706","2021-01-07","04:58:48",""
"7127357","12.5486","0.0001","18.9533","0.0001","17.66","0.0001","90","","106.233","0.001","90","","4032.76","0.05","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H57 Cu N3 O P -","- C44 H57 Cu N3 O P -","- C176 H228 Cu4 N12 O4 P4 -","4","1","","Horsley Downie, Thomas M.; Hall, Jonathan W.; Collier Finn, Thomas P.; Liptrot, David J.; Lowe, John P.; Mahon, Mary F.; McMullin, Claire L.; Whittlesey, Michael K.","The first ring-expanded NHC-copper(i) phosphides as catalysts in the highly selective hydrophosphination of isocyanates.","Chemical communications (Cambridge, England)","2020","56","87","13359","13362","10.1039/d0cc05694d","","x-ray","1.54184","CuKα","","0.0344","0.0325","","","0.0859","0.0876","","","","","","1.027","","","","has coordinates","260706","2021-01-07","04:58:48",""
"7127358","7.968","0.002","12.17","0.004","15.304","0.004","87.17","0.02","86.3","0.02","74.76","0.02","1428.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","CaCl2 etiracetam Isonicotinamide","CaCl2 (RS)-2-(2-Oxopyrrolidin-1-yl)butanamide pyridine-4-carboxamide","","- C22 H36 Ca Cl2 N6 O6 -","- C22 H36 Ca Cl2 N6 O6 -","- C44 H72 Ca2 Cl4 N12 O12 -","2","1","","Song, Lixing; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Leyssens, Tom","Combining API in a dual-drug ternary cocrystal approach.","Chemical communications (Cambridge, England)","2020","56","86","13229","13232","10.1039/d0cc05788f","","","0.71073","MoKα","","0.1544","0.0989","","","0.2139","0.2391","","","","","","1.098","","","","has coordinates,has disorder","260600","2021-01-07","04:30:36",""
"7127359","11.9243","0.0005","8.0669","0.0003","15.4348","0.0007","90","","92.338","0.004","90","","1483.47","0.11","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","CaCl2 Levetiracetam Nicotinamide","CaCl2 (S)-2-(2-oxopyrrolidin-1-yl)butanamide pyridine-3-carboxamide","","- C22 H36 Ca Cl2 N6 O6 -","- C22 H36 Ca Cl2 N6 O6 -","- C44 H72 Ca2 Cl4 N12 O12 -","2","1","","Song, Lixing; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Leyssens, Tom","Combining API in a dual-drug ternary cocrystal approach.","Chemical communications (Cambridge, England)","2020","56","86","13229","13232","10.1039/d0cc05788f","","","0.71073","MoKα","","0.0581","0.0433","","","0.09","0.0959","","","","","","1.031","","","","has coordinates,has disorder","260600","2021-01-07","04:30:37",""
"7127360","7.9303","0.00011","15.1768","0.0002","23.7226","0.0003","90","","90","","90","","2855.17","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","CaCl2 Levetiracetam Isonicotinamide","CaCl2 (S)-2-(2-oxopyrrolidin-1-yl)butanamide pyridine-4-carboxamide","","- C22 H36 Ca Cl2 N6 O6 -","- C22 H36 Ca Cl2 N6 O6 -","- C88 H144 Ca4 Cl8 N24 O24 -","4","1","","Song, Lixing; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Leyssens, Tom","Combining API in a dual-drug ternary cocrystal approach.","Chemical communications (Cambridge, England)","2020","56","86","13229","13232","10.1039/d0cc05788f","","","0.71073","MoKα","","0.0317","0.0293","","","0.0709","0.0725","","","","","","1.042","","","","has coordinates","260600","2021-01-07","04:30:37",""
"7127361","8.8162","0.0005","9.9355","0.0005","12.7903","0.0007","88.965","0.004","85.831","0.004","70.437","0.005","1052.86","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 O4 S2 -","- C23 H22 O4 S2 -","- C46 H44 O8 S4 -","2","1","","Wang, Yu; Tang, Kongshuang; Liu, Zhaohong; Ning, Yongquan","Disulfonation of terminal alkynes for 1,2-bisulfonylethenes.","Chemical communications (Cambridge, England)","2020","56","86","13141","13144","10.1039/d0cc05849a","","x-ray","0.71073","MoKα","","0.0679","0.0469","","","0.1138","0.1312","","","","","","1.049","","","","has coordinates","260603","2021-01-07","04:31:00",""
"7127362","8.78349","0.00014","25.2447","0.0004","11.5445","0.0002","90","","92.4781","0.0016","90","","2557.44","0.07","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H23 Br F3 N O5 -","- C26 H23 Br F3 N O5 -","- C104 H92 Br4 F12 N4 O20 -","4","2","","Zhang, Xia-Yan; You, Yong; Wang, Zhen-Hua; Zhao, Jian-Qiang; Yuan, Wei-Cheng","Organocatalytic asymmetric tandem α-functionalization/1,3-proton shift reaction of benzylidene succinimides with β-trifluoromethyl enones.","Chemical communications (Cambridge, England)","2020","56","87","13449","13452","10.1039/d0cc05474g","","x-ray","1.54184","CuKα","","0.0526","0.0477","","","0.1254","0.131","","","","","","1.016","","","","has coordinates","260710","2021-01-07","04:59:26",""
"7127363","11.2309","0.0006","22.0675","0.0012","20.7788","0.0011","90","","98.817","0.002","90","","5088.9","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91 H10 Br O4 S4 Y -","- C91 H10 Br O4 S4 Y -","- C364 H40 Br4 O16 S16 Y4 -","4","1","","Shen, Wangqiang; Yang, Le; Li, Bo; Jin, Peng; Yu, Bing; Cong, Hailin; Akasaka, Takeshi; Lu, Xing","Metal-encapsulation induces a highly regioselective Bingel-Hirsch reaction of the labile Y@<i>C</i><sub>s</sub>(6)-C<sub>82</sub>.","Chemical communications (Cambridge, England)","2020","56","92","14357","14360","10.1039/d0cc06226j","","","0.71073","MoKα","","0.1054","0.0851","","","0.2103","0.2265","","","","","","1.017","","","","has coordinates","260680","2021-01-07","04:51:41",""
"7127364","6.0728","0.0008","24.305","0.002","15.0006","0.0014","90","","98.929","0.004","90","","2187.2","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Br2 N2 O2 -","- C24 H22 Br2 N2 O2 -","- C96 H88 Br8 N8 O8 -","4","1","","Silvestri, A. P.; Oakdale, J. S.","Intermolecular cyclotrimerization of haloketoalkynes and internal alkynes: facile access to arenes and phthalides.","Chemical communications (Cambridge, England)","2020","56","87","13417","13420","10.1039/d0cc05706a","","x-ray","0.71073","MoKα","","0.0496","0.0346","","","0.0701","0.0745","","","","","","1.013","","","","has coordinates","260705","2021-01-07","04:57:44",""
"7127365","8.5662","0.0006","8.5847","0.0006","9.5341","0.0006","96.065","0.002","102.093","0.002","95.978","0.002","675.95","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Br2 N O4 -","- C12 H11 Br2 N O4 -","- C24 H22 Br4 N2 O8 -","2","1","","Silvestri, A. P.; Oakdale, J. S.","Intermolecular cyclotrimerization of haloketoalkynes and internal alkynes: facile access to arenes and phthalides.","Chemical communications (Cambridge, England)","2020","56","87","13417","13420","10.1039/d0cc05706a","","x-ray","0.71073","MoKα","","0.049","0.0302","","","0.0625","0.0684","","","","","","1.025","","","","has coordinates","260705","2021-01-07","04:57:44",""
"7127366","14.809","0.0007","9.7032","0.0004","18.6573","0.0009","90","","113.307","0.002","90","","2462.2","0.2","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C47 H46 Cl N5 O5 P2 Pt -","- C47 H46 Cl N5 O5 P2 Pt -","- C94 H92 Cl2 N10 O10 P4 Pt2 -","2","1","","Leitão, Maria Inês P S; Gonzalez, Carmen; Francescato, Giulia; Filipiak, Zuzanna; Petronilho, Ana","On the reactivity of mRNA Cap0: C-H oxidative addition of 7-methylguanosine to Pt<sup>0</sup> and base pairing studies.","Chemical communications (Cambridge, England)","2020","56","87","13365","13368","10.1039/d0cc06075e","","x-ray","0.71073","MoKα","","0.0483","0.0424","","","0.1048","0.1071","","","","","","1.052","","","","has coordinates","260709","2021-01-07","04:59:14",""
"7127367","15.05","0.002","15.46","0.002","22.031","0.003","90","","108.853","0.003","90","","4851","1.1","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 Co F18 N10 P3 -","- C46 H40 Co F18 N10 P3 -","- C184 H160 Co4 F72 N40 P12 -","4","0.5","","Mansoor, Iram F.; Wozniak, Derek I.; Wu, Yilei; Lipke, Mark C.","A delocalized cobaltoviologen with seven reversibly accessible redox states and highly tunable electrochromic behaviour.","Chemical communications (Cambridge, England)","2020","56","89","13864","13867","10.1039/d0cc05627h","","","0.71073","MoKα","","0.1128","0.0782","","","0.1953","0.2195","","","","","","1.067","","","","has coordinates","260653","2021-01-07","04:45:14",""
"7127368","12.9089","0.0014","31.053","0.003","25.429","0.003","90","","90.106","0.002","90","","10193.5","1.9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H37 Co F24 N9 P4 -","- C44 H37 Co F24 N9 P4 -","- C352 H296 Co8 F192 N72 P32 -","8","2","","Mansoor, Iram F.; Wozniak, Derek I.; Wu, Yilei; Lipke, Mark C.","A delocalized cobaltoviologen with seven reversibly accessible redox states and highly tunable electrochromic behaviour.","Chemical communications (Cambridge, England)","2020","56","89","13864","13867","10.1039/d0cc05627h","","","0.71073","MoKα","","0.0691","0.0527","","","0.11","0.1174","","","","","","1.076","","","","has coordinates","260653","2021-01-07","04:45:14",""
"7127369","13.6806","0.0008","9.1444","0.0004","14.0282","0.0008","90","","100.311","0.002","90","","1726.6","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Br2 N3 Zn -","- C15 H19 Br2 N3 Zn -","- C60 H76 Br8 N12 Zn4 -","4","1","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0981","0.0432","","","0.0692","0.0821","","","","","","1.004","","","","has coordinates","260597","2021-01-07","04:29:58",""
"7127370","12.8681","0.0006","11.5859","0.0005","14.3384","0.0008","90","","103.984","0.002","90","","2074.34","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 Br2 N3 Zn -","- C17 H25 Br2 N3 Zn -","- C68 H100 Br8 N12 Zn4 -","4","1","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0943","0.0528","","","0.1351","0.1515","","","","","","0.952","","","","has coordinates","260597","2021-01-07","04:29:59",""
"7127371","10.8931","0.0006","11.4206","0.0007","12.3188","0.0007","83.305","0.002","63.943","0.002","73.559","0.002","1320.41","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H39 B Br N5 Zn -","- C24 H39 B Br N5 Zn -","- C48 H78 B2 Br2 N10 Zn2 -","2","1","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0489","0.0371","","","0.0913","0.0968","","","","","","1.079","","","","has coordinates","260597","2021-01-07","04:29:59",""
"7127372","15.0468","0.0016","11.2801","0.0007","16.7588","0.0017","90","","103.198","0.002","90","","2769.3","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 B Br2 N3 Zn -","- C25 H38 B Br2 N3 Zn -","- C100 H152 B4 Br8 N12 Zn4 -","4","1","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0579","0.0396","","","0.0961","0.1058","","","","","","1.039","","","","has coordinates,has disorder","260597","2021-01-07","04:29:59",""
"7127373","13.0034","0.0009","13.5104","0.001","15.0119","0.0014","86.957","0.003","87.514","0.004","73.838","0.004","2528.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H34 B Br2 N3 Zn -","- C23 H34 B Br2 N3 Zn -","- C92 H136 B4 Br8 N12 Zn4 -","4","2","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0542","0.0405","","","0.0934","0.1017","","","","","","1.075","","","","has coordinates","260597","2021-01-07","04:29:59",""
"7127374","11.9524","0.0006","11.9577","0.0006","12.1827","0.0007","107.294","0.0019","93.865","0.002","110.961","0.0018","1522.69","0.14","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C25 H40 B Br F3 N5 O3 S Zn -","- C25 H40 B Br F3 N5 O3 S Zn -","- C50 H80 B2 Br2 F6 N10 O6 S2 Zn2 -","2","1","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0574","0.0358","","","0.0838","0.093","","","","","","1.026","","","","has coordinates","260597","2021-01-07","04:29:59",""
"7127375","10.661","0.0005","11.8149","0.0006","13.2704","0.0006","105.494","0.002","99.734","0.002","101.5","0.002","1534.07","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H44 B Br2 N5 Zn -","- C29 H44 B Br2 N5 Zn -","- C58 H88 B2 Br4 N10 Zn2 -","2","1","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0834","0.0377","","","0.0671","0.0786","","","","","","1.013","","","","has coordinates","260597","2021-01-07","04:29:59",""
"7127376","12.419","0.0012","12.4357","0.0012","30.319","0.003","89.995","0.003","90.007","0.003","119.911","0.003","4058.7","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H60 F12 O4 P6 Zn -","- C24 H60 F12 O4 P6 Zn -","- C96 H240 F48 O16 P24 Zn4 -","4","2","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0773","0.0638","","","0.172","0.1863","","","","","","1.057","","","","has coordinates,has disorder","260597","2021-01-07","04:29:59",""
"7127377","12.0353","0.0008","24.2453","0.0015","21.535","0.0012","90","","92.423","0.002","90","","6278.3","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H45 B Br2 N5 Zn -","- C28 H45 B Br2 N5 Zn -","- C224 H360 B8 Br16 N40 Zn8 -","8","1","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0591","0.0364","","","0.0856","0.0941","","","","","","1.058","","","","has coordinates","260597","2021-01-07","04:29:59",""
"7127378","27.6433","0.0013","15.2931","0.0008","18.2871","0.0009","90","","119.684","0.0015","90","","6716.4","0.6","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C26 H44 B Br Cl2 F6 N5 P Zn -","- C25.999 H43.998 B Br Cl1.998 F6 N5 P Zn -","- C207.992 H351.984 B8 Br8 Cl15.984 F48 N40 P8 Zn8 -","8","1","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0596","0.041","","","0.1067","0.1169","","","","","","1.041","","","","has coordinates,has disorder","260597","2021-01-07","04:29:59",""
"7127379","15.0988","0.0007","20.3399","0.001","21.5241","0.001","87.7923","0.0019","84.8814","0.0018","71.6768","0.0019","6249.7","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55.41 H91.23 B2 Br4 N8 O2.04 Zn2 -","- C55.411 H91.233 B2 Br4 N8 O2.0445 Zn2 -","- C221.644 H364.932 B8 Br16 N32 O8.178 Zn8 -","4","2","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0912","0.0534","","","0.1435","0.1687","","","","","","1.026","","","","has coordinates,has disorder","260597","2021-01-07","04:29:59",""
"7127380","17.2348","0.0011","11.4411","0.0008","20.0805","0.0014","90","","92.729","0.003","90","","3955.1","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 Br2 N3 Zn -","- C17 H23 Br2 N3 Zn -","- C136 H184 Br16 N24 Zn8 -","8","2","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0739","0.046","","","0.1108","0.1255","","","","","","1.04","","","","has coordinates","260597","2021-01-07","04:29:59",""
"7127381","11.5579","0.0007","12.4732","0.0008","14.2722","0.0009","106.92","0.002","101.436","0.002","113.029","0.002","1693.95","0.19","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C28 H46 B Br F3 N5 O4 S Zn -","- C28 H46 B Br F3 N5 O4 S Zn -","- C56 H92 B2 Br2 F6 N10 O8 S2 Zn2 -","2","1","","Kiernicki, John J.; Norwine, Emily E.; Lovasz, Myles A.; Zeller, Matthias; Szymczak, Nathaniel K.","Mobility of Lewis acids within the secondary coordination sphere: toward a model for cooperative substrate binding.","Chemical communications (Cambridge, England)","2020","56","86","13105","13108","10.1039/d0cc05121g","","","0.71073","MoKα","","0.0458","0.0328","","","0.0801","0.0857","","","","","","1.052","","","","has coordinates","260597","2021-01-07","04:29:59",""
"7127382","17.2098","0.0016","7.3662","0.0007","22.672","0.002","90","","90","","90","","2874.1","0.5","289","2","289","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N2 -","- C19 H16 N2 -","- C152 H128 N16 -","8","1","","Jiang, Bo; Jia, Jingwen; Sun, Yufei; Wang, Yichun; Zeng, Jing; Bu, Xiubin; Shi, Liangliang; Sun, Xiaoying; Yang, Xiaobo","γ-Carboline synthesis enabled by Rh(iii)-catalysed regioselective C-H annulation.","Chemical communications (Cambridge, England)","2020","56","87","13389","13392","10.1039/d0cc04740f","","","0.71073","MoKα","","0.0997","0.0559","","","0.1235","0.1511","","","","","","1.141","","","","has coordinates","260712","2021-01-07","04:59:41",""
"7127383","18.1856","0.0005","7.4674","0.0002","16.226","0.0004","90","","111.448","0.001","90","","2050.89","0.09","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl N2 O Rh -","- C22 H28 Cl N2 O Rh -","- C88 H112 Cl4 N8 O4 Rh4 -","4","1","","Jiang, Bo; Jia, Jingwen; Sun, Yufei; Wang, Yichun; Zeng, Jing; Bu, Xiubin; Shi, Liangliang; Sun, Xiaoying; Yang, Xiaobo","γ-Carboline synthesis enabled by Rh(iii)-catalysed regioselective C-H annulation.","Chemical communications (Cambridge, England)","2020","56","87","13389","13392","10.1039/d0cc04740f","","","1.54178","CuKα","","0.0181","0.0174","","","0.043","0.0434","","","","","","1.046","","","","has coordinates","260712","2021-01-07","04:59:41",""
"7127384","37.719","0.002","9.9975","0.0006","27.5561","0.0014","90","","129.915","0.001","90","","7970.1","0.8","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27.72 H73.15 Cl0.28 Li6 N6 O -","- C27.717 H73.151 Cl0.283 Li6 N6 O -","- C221.736 H585.208 Cl2.264 Li48 N48 O8 -","8","1","","Knauer, Lena; Strohmann, Carsten","The structure-defining incorporation of chloride in methyllithium dimers.","Chemical communications (Cambridge, England)","2020","56","88","13543","13546","10.1039/d0cc05547f","","x-ray","0.71073","MoKα","","0.0941","0.0594","","","0.1401","0.1571","","","","","","1.048","","","","has coordinates,has disorder","260633","2021-01-07","04:39:22",""
"7127385","19.9942","0.0006","11.0399","0.0003","17.1245","0.0005","90","","110.506","0.001","90","","3540.44","0.18","100","","99.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11.89 H31.67 Cl0.11 Li3 N3 -","- C11.889 H31.667 Cl0.111 Li3 N3 -","- C95.112 H253.336 Cl0.888 Li24 N24 -","8","1","","Knauer, Lena; Strohmann, Carsten","The structure-defining incorporation of chloride in methyllithium dimers.","Chemical communications (Cambridge, England)","2020","56","88","13543","13546","10.1039/d0cc05547f","","x-ray","1.54178","CuKα","","0.0517","0.0424","","","0.1108","0.1175","","","","","","1.042","","","","has coordinates,has disorder","260633","2021-01-07","04:39:23",""
"7127386","9.4887","0.0017","11.075","0.003","9.7615","0.0019","90","","95.203","0.01","90","","1021.6","0.4","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 Cl2 Li2 O4 -","- C16 H32 Cl2 Li2 O4 -","- C32 H64 Cl4 Li4 O8 -","2","0.5","","Knauer, Lena; Strohmann, Carsten","The structure-defining incorporation of chloride in methyllithium dimers.","Chemical communications (Cambridge, England)","2020","56","88","13543","13546","10.1039/d0cc05547f","","x-ray","0.71073","MoKα","","0.0477","0.0381","","","0.0836","0.0879","","","","","","1.11","","","","has coordinates,has disorder","260633","2021-01-07","04:39:23",""
"7127387","3.7618","0.0005","24.323","0.003","41.416","0.006","90","","90","","90","","3789.5","0.9","93","","93","","","","","","","","","3","P n n n :2","-P 2ab 2bc","48","CPDBC","4,4',4'',4'''-(dibenzo[g,p]chrysene-2,7,10,15-tetrayl)tetrabenzoic acid","","- C54 H32 O8 -","- C54 H32 O8 -","- C108 H64 O16 -","2","0.25","","Suzuki, Yuto; Tohnai, Norimitsu; Saeki, Akinori; Hisaki, Ichiro","Hydrogen-bonded organic frameworks of twisted polycyclic aromatic hydrocarbon.","Chemical communications (Cambridge, England)","2020","56","87","13369","13372","10.1039/d0cc06081j","","","0.4286","synchrotron","","0.0974","0.0763","","","0.239","0.2556","","","","","","1.01","","","","has coordinates","260704","2021-01-07","04:57:37",""
"7127388","47.5006","0.001","47.5006","0.001","7.417","0.0002","90","","90","","90","","16735","0.7","93","","93","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","CPDBC","4,4',4'',4'''-(dibenzo[g,p]chrysene-2,7,10,15-tetrayl)tetrabenzoic acid","","- C54 H32 O8 -","- C54 H32 O8 -","- C432 H256 O64 -","8","0.25","","Suzuki, Yuto; Tohnai, Norimitsu; Saeki, Akinori; Hisaki, Ichiro","Hydrogen-bonded organic frameworks of twisted polycyclic aromatic hydrocarbon.","Chemical communications (Cambridge, England)","2020","56","87","13369","13372","10.1039/d0cc06081j","","","0.81106","synchrotron","","0.1163","0.0917","","","0.2698","0.292","","","","","","1.053","","","","has coordinates","260704","2021-01-07","04:57:38",""
"7127389","5.97592","0.0001","22.3752","0.0005","13.3264","0.0003","90","","97.3628","0.0017","90","","1767.21","0.06","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 O2 -","- C23 H20 O2 -","- C92 H80 O8 -","4","1","","Gu, Jia-Yi; Zhang, Wei; Jackson, Seth R.; He, Yan-Hong; Guan, Zhi","Photoinduced umpolung addition of carbonyl compounds with α,β-unsaturated esters enables the polysubstituted γ-lactone formation.","Chemical communications (Cambridge, England)","2020","56","87","13441","13444","10.1039/d0cc05306f","","","1.54184","CuKα","","0.0516","0.0468","","","0.1309","0.1353","","","","","","1.044","","","","has coordinates","260711","2021-01-07","04:59:33",""
"7127390","6.11677","0.00009","21.9208","0.0003","13.21139","0.00019","90","","96.7434","0.0014","90","","1759.19","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 O2 -","- C23 H20 O2 -","- C92 H80 O8 -","4","1","","Gu, Jia-Yi; Zhang, Wei; Jackson, Seth R.; He, Yan-Hong; Guan, Zhi","Photoinduced umpolung addition of carbonyl compounds with α,β-unsaturated esters enables the polysubstituted γ-lactone formation.","Chemical communications (Cambridge, England)","2020","56","87","13441","13444","10.1039/d0cc05306f","","","1.54184","CuKα","","0.0476","0.043","","","0.1083","0.1121","","","","","","1.045","","","","has coordinates","260711","2021-01-07","04:59:33",""
"7127391","8.858","0.0005","9.6854","0.0006","14.7645","0.0009","104.257","0.005","103.276","0.005","101.697","0.005","1148.85","0.13","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","Cu(NHC)(hmds)","(1,3-di-tert-butyl-imidazolin-2-ylidene) copper(I) bis(trimethylsilyl)amide","","- C17 H40 Cu N3 Si2 -","- C17 H40 Cu N3 Si2 -","- C34 H80 Cu2 N6 Si4 -","2","1","","Boysen, Nils; Misimi, Bujamin; Muriqi, Arbresha; Wree, Jan-Lucas; Hasselmann, Tim; Rogalla, Detlef; Haeger, Tobias; Theirich, Detlef; Nolan, Michael; Riedl, Thomas; Devi, Anjana","A carbene stabilized precursor for the spatial atomic layer deposition of copper thin films.","Chemical communications (Cambridge, England)","2020","56","89","13752","13755","10.1039/d0cc05781a","","x-ray","1.54184","CuKα","","0.04","0.0327","","","0.0805","0.0856","","","","","","1.036","","","","has coordinates","260652","2021-01-07","04:45:05",""
"7127392","14.9822","0.0011","25.2721","0.0018","31.619","0.002","90","","93.655","0.002","90","","11947.6","1.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- Cs4 H62 K7 Na5 Nb23 O108 V5 -","- Cs0.25 K7 Na3.5 Nb23 O107.25 V5 -","- Cs K28 Na14 Nb92 O429 V20 -","4","1","","Zhen, Ni; Dong, Jing; Lin, Zhengguo; Li, Xiaoxia; Chi, Yingnan; Hu, Changwen","Self-assembly of polyoxovanadate-capped polyoxoniobates and their catalytic decontamination of sulfur mustard simulants.","Chemical communications (Cambridge, England)","2020","56","90","13967","13970","10.1039/d0cc06277d","","","0.71073","MoKα","","0.0982","0.0886","","","0.232","0.2397","","","","","","1.099","","","","has coordinates","260657","2021-01-07","04:46:02",""
"7127393","15.9678","0.0008","23.5105","0.0013","16.2976","0.0009","90","","104.33","0.0016","90","","5927.9","0.6","153","2","153","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- Cs4 H74 K8 Na5 Nb23 O115 V6 -","- Cs3 K6.5 Na Nb23 O91.5 V6 -","- Cs6 K13 Na2 Nb46 O183 V12 -","2","0.5","","Zhen, Ni; Dong, Jing; Lin, Zhengguo; Li, Xiaoxia; Chi, Yingnan; Hu, Changwen","Self-assembly of polyoxovanadate-capped polyoxoniobates and their catalytic decontamination of sulfur mustard simulants.","Chemical communications (Cambridge, England)","2020","56","90","13967","13970","10.1039/d0cc06277d","","","0.71073","MoKα","","0.071","0.0609","","","0.2062","0.2196","","","","","","1.03","","","","has coordinates,has disorder","260657","2021-01-07","04:46:05",""
"7127394","9.0833","0.0006","13.9679","0.0008","20.8666","0.0011","90","","90","","90","","2647.4","0.3","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Al Cl2 F6 N2 O3 -","- C26 H27 Al Cl2 F6 N2 O3 -","- C104 H108 Al4 Cl8 F24 N8 O12 -","4","1","","Hador, Rami; Lipstman, Sophia; Rescigno, Raffaella; Venditto, Vincenzo; Kol, Moshe","Aluminium complexes of salanol ligands: coordination chemistry and stereoselective lactide polymerization.","Chemical communications (Cambridge, England)","2020","56","88","13528","13531","10.1039/d0cc05957a","","","0.71073","MoKα","","0.0675","0.0436","","","0.0769","0.0858","","","","","","0.984","","","","has coordinates","260634","2021-01-07","04:39:29",""
"7127395","10.2589","0.0004","10.8028","0.0004","11.3273","0.0004","100.728","0.002","97.616","0.002","109.85","0.002","1133.8","0.08","110","2","110","2","","","","","","","","5","P 1","P 1","1","","","","- C56 H59 Al N2 O3 -","- C56 H59 Al N2 O3 -","- C56 H59 Al N2 O3 -","1","1","","Hador, Rami; Lipstman, Sophia; Rescigno, Raffaella; Venditto, Vincenzo; Kol, Moshe","Aluminium complexes of salanol ligands: coordination chemistry and stereoselective lactide polymerization.","Chemical communications (Cambridge, England)","2020","56","88","13528","13531","10.1039/d0cc05957a","","","0.71073","MoKα","","0.0651","0.0541","","","0.1322","0.1406","","","","","","1.03","","","","has coordinates","260634","2021-01-07","04:39:30",""
"7127396","11.1923","0.0003","13.0857","0.0004","15.6457","0.0005","84.3144","0.0005","74.4558","0.0005","68.8762","0.0005","2059.29","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H56 Au B2 O2 P2 -","- C45 H56 Au B2 O2 P2 -","- C90 H112 Au2 B4 O4 P4 -","2","1","","Taylor, Jordan W.; Harman, W. Hill","H<sub>2</sub> evolution from H<sub>2</sub>O via O-H oxidative addition across a 9,10-diboraanthracene.","Chemical communications (Cambridge, England)","2020","56","89","13804","13807","10.1039/d0cc05261b","","","0.71073","MoKα","","0.0145","0.0137","","","0.0345","0.0347","","","","","","1.058","","","","has coordinates,has disorder","260655","2021-01-07","04:45:32",""
"7127397","12.4601","0.0004","27.1704","0.001","16.4408","0.0006","90","","94.0898","0.0006","90","","5551.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H81 Au B2 K O8.5 P2 -","- C53 H81 Au B2 K O8.5 P2 -","- C212 H324 Au4 B8 K4 O34 P8 -","4","1","","Taylor, Jordan W.; Harman, W. Hill","H<sub>2</sub> evolution from H<sub>2</sub>O via O-H oxidative addition across a 9,10-diboraanthracene.","Chemical communications (Cambridge, England)","2020","56","89","13804","13807","10.1039/d0cc05261b","","","0.71073","MoKα","","0.0264","0.0213","","","0.0479","0.0498","","","","","","1.055","","","","has coordinates,has disorder","260655","2021-01-07","04:45:32",""
"7127398","11.5721","0.0003","13.3494","0.0004","17.4347","0.0005","77.4593","0.0005","77.1738","0.0005","68.9764","0.0005","2423.17","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H69.47 Au B2 K O7.53 P2 -","- C48 H69.477 Au B2 K O7.523 P2 -","- C96 H138.954 Au2 B4 K2 O15.046 P4 -","2","1","","Taylor, Jordan W.; Harman, W. Hill","H<sub>2</sub> evolution from H<sub>2</sub>O via O-H oxidative addition across a 9,10-diboraanthracene.","Chemical communications (Cambridge, England)","2020","56","89","13804","13807","10.1039/d0cc05261b","","","0.71073","MoKα","","0.0148","0.0141","","","0.0355","0.0357","","","","","","1.076","","","","has coordinates,has disorder","260655","2021-01-07","04:45:32",""
"7127399","19.5549","0.0003","17.1275","0.0003","19.6848","0.0003","90","","90","","90","","6592.96","0.18","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H45 Au B2 O P2 -","- C36 H45 Au B2 O P2 -","- C288 H360 Au8 B16 O8 P16 -","8","1","","Taylor, Jordan W.; Harman, W. Hill","H<sub>2</sub> evolution from H<sub>2</sub>O via O-H oxidative addition across a 9,10-diboraanthracene.","Chemical communications (Cambridge, England)","2020","56","89","13804","13807","10.1039/d0cc05261b","","","0.71073","MoKα","","0.0203","0.0148","","","0.0344","0.0369","","","","","","1.053","","","","has coordinates","260655","2021-01-07","04:45:32",""
"7127400","10.5332","0.0005","21.0945","0.0008","8.1916","0.0003","90","","94.7245","0.0013","90","","1813.93","0.13","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H20 N10 S5 -","- C5 H20 N10 S5 -","- C20 H80 N40 S20 -","4","1","","Liu, Ziwei; Wu, Long-Fei; Bond, Andrew D.; Sutherland, John D.","Photoredox chemistry in the synthesis of 2-aminoazoles implicated in prebiotic nucleic acid synthesis.","Chemical communications (Cambridge, England)","2020","56","88","13563","13566","10.1039/d0cc05752e","","","0.71073","MoKα","","0.0744","0.0321","","","0.0611","0.0645","","","","","","0.812","","","","has coordinates","260631","2021-01-07","04:38:38",""
"7127401","12.1998","0.0005","7.4008","0.0003","21.8754","0.001","90","","123.518","0.003","90","","1646.66","0.13","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Bi Cl5 N2 S2 -","- C6 H16 Bi Cl5 N2 S2 -","- C24 H64 Bi4 Cl20 N8 S8 -","4","1","","Liu, Yu-Ting; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A one-dimensional switchable dielectric material with Pd uptake function: [(CH<sub>2</sub>)<sub>3</sub>NH<sub>2</sub>S]<sub>2</sub>BiCl<sub>5</sub>.","Chemical communications (Cambridge, England)","2020","56","89","13764","13767","10.1039/d0cc05648k","","","0.71073","MoKα","","0.0399","0.0349","","","0.0829","0.0854","","","","","","1.022","","","","has coordinates","260651","2021-01-07","04:45:00",""
"7127402","12.232","0.0004","7.5245","0.0002","22.0936","0.0008","90","","123.339","0.002","90","","1698.84","0.1","363","2","363","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Bi Cl5 N2 S2 -","- C6 H16 Bi Cl5 N2 S2 -","- C24 H64 Bi4 Cl20 N8 S8 -","4","1","","Liu, Yu-Ting; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A one-dimensional switchable dielectric material with Pd uptake function: [(CH<sub>2</sub>)<sub>3</sub>NH<sub>2</sub>S]<sub>2</sub>BiCl<sub>5</sub>.","Chemical communications (Cambridge, England)","2020","56","89","13764","13767","10.1039/d0cc05648k","","","0.71073","MoKα","","0.0467","0.0401","","","0.1037","0.1075","","","","","","1.067","","","","has coordinates","260651","2021-01-07","04:45:00",""
"7127403","10.049","0.003","10.24","0.003","13.391","0.004","76.934","0.004","77.667","0.004","71.574","0.004","1258.3","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 O3 S -","- C15 H12 O3 S -","- C60 H48 O12 S4 -","4","2","","Chen, Xiang-Long; Tang, Bo-Cheng; He, Cai; Ma, Jin-Tian; Zhuang, Shi-Yi; Wu, Yan-Dong; Wu, An-Xin","Rongalite as a sulfone source: a novel copper-catalyzed sulfur dioxide anion incorporation process.","Chemical communications (Cambridge, England)","2020","56","88","13653","13656","10.1039/d0cc05800a","","","0.71073","MoKα","","0.0708","0.0634","","","0.1627","0.1778","","","","","","1.185","","","","has coordinates","260636","2021-01-07","04:39:45",""
"7127404","8.9409","0.0008","16.6725","0.0015","20.1342","0.0018","100.612","0.002","93.221","0.002","90.152","0.002","2945.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H57 N9 O4 S -","- C68 H57 N9 O4 S -","- C136 H114 N18 O8 S2 -","2","1","","Feng, Xin; Chen, Yating; Lei, Yunxiang; Zhou, Yunbing; Gao, Wenxia; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Multifunctional properties of a star-shaped triphenylamine-benzene-1,3,5-tricarbohydrazide fluorescent molecule containing multiple flexible chains.","Chemical communications (Cambridge, England)","2020","56","88","13638","13641","10.1039/d0cc05538g","","","0.71073","MoKα","","0.165","0.087","","","0.2001","0.2535","","","","","","1.044","","","","has coordinates","260638","2021-01-07","04:40:02",""
"7127405","8.967","0.0017","16.6","0.003","20.124","0.004","79.369","0.005","86.581","0.005","89.896","0.005","2938.7","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H57 N9 O4 S -","- C68 H57 N9 O4 S -","- C136 H114 N18 O8 S2 -","2","1","","Feng, Xin; Chen, Yating; Lei, Yunxiang; Zhou, Yunbing; Gao, Wenxia; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Multifunctional properties of a star-shaped triphenylamine-benzene-1,3,5-tricarbohydrazide fluorescent molecule containing multiple flexible chains.","Chemical communications (Cambridge, England)","2020","56","88","13638","13641","10.1039/d0cc05538g","","","0.71073","MoKα","","0.1919","0.1122","","","0.2699","0.3145","","","","","","1.052","","","","has coordinates","260638","2021-01-07","04:40:05",""
"7127406","17.85648","0.00015","17.85648","0.00015","16.97342","0.00015","90","","90","","120","","4686.96","0.07","150","0.1","150","0.1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C18 H54 Cl Ge N3 Si6 -","- C18 H54 Cl Ge N3 Si6 -","- C108 H324 Cl6 Ge6 N18 Si36 -","6","0.333333","","Barrett, A. N.; Sanderson, H. J.; Mahon, M. F.; Webster, R. L.","Hydrophosphination using [GeCl{N(SiMe<sub>3</sub>)<sub>2</sub>}<sub>3</sub>] as a pre-catalyst.","Chemical communications (Cambridge, England)","2020","56","88","13623","13626","10.1039/d0cc05792d","","","1.54184","CuKα","","0.0193","0.0193","","","0.0516","0.0516","","","","","","1.111","","","","has coordinates","260635","2021-01-07","04:39:36",""
"7127407","5.1443","0.0006","14.4148","0.0017","14.9692","0.0016","92.88","0.003","93.257","0.003","90.232","0.003","1106.8","0.2","296.93","","296.93","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H19 N3 O2 -","- C31 H19 N3 O2 -","- C62 H38 N6 O4 -","2","1","","Tang, Lele; Zan, Jie; Peng, Hao; Yan, Xi; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Huanhuan; Chen, Qiushui; Huang, Wei; Chen, Runfeng","X-ray excited ultralong room-temperature phosphorescence for organic afterglow scintillators.","Chemical communications (Cambridge, England)","2020","56","88","13559","13562","10.1039/d0cc05389a","","","0.71073","MoKα","","0.0721","0.0475","","","0.1054","0.1172","","","","","","1.058","","","","has coordinates","260637","2021-01-07","04:39:51",""
"7127408","43.5147","0.0008","7.94643","0.00015","20.3986","0.0003","90","","100.944","0.0015","90","","6925.3","0.2","122.99","0.13","122.99","0.13","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C60 H72 K3 Mo6 O16.5 P3 -","- C60 H72 K3 Mo6 O16.5 P3 -","- C240 H288 K12 Mo24 O66 P12 -","4","1","","Riedlberger, Felix; Seidl, Michael; Scheer, Manfred","The reaction behavior of [Cp<sub>2</sub>Mo<sub>2</sub>(CO)<sub>4</sub>(μ,η<sup>2:2</sup>-P<sub>2</sub>)] and [Cp''Ta(CO)<sub>2</sub>(η<sup>4</sup>-P<sub>4</sub>)] towards hydroxide and tert-butyl nucleophiles.","Chemical communications (Cambridge, England)","2020","56","89","13836","13839","10.1039/d0cc06150f","","x-ray","1.54184","CuKα","","0.0515","0.0452","","","0.1144","0.1196","","","","","","1.046","","","","has coordinates,has disorder","260650","2021-01-07","04:44:51",""
"7127409","11.8625","0.0001","21.7618","0.0003","16.0909","0.0002","90","","94.017","0.001","90","","4143.65","0.08","123","0.1","123","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H61 Li O6 P4 Ta -","- C35 H61 Li O6 P4 Ta -","- C140 H244 Li4 O24 P16 Ta4 -","4","1","","Riedlberger, Felix; Seidl, Michael; Scheer, Manfred","The reaction behavior of [Cp<sub>2</sub>Mo<sub>2</sub>(CO)<sub>4</sub>(μ,η<sup>2:2</sup>-P<sub>2</sub>)] and [Cp''Ta(CO)<sub>2</sub>(η<sup>4</sup>-P<sub>4</sub>)] towards hydroxide and tert-butyl nucleophiles.","Chemical communications (Cambridge, England)","2020","56","89","13836","13839","10.1039/d0cc06150f","","x-ray","1.54184","CuKα","","0.0542","0.0503","","","0.1318","0.1366","","","","","","1.031","","","","has coordinates,has disorder","260650","2021-01-07","04:44:52",""
"7127410","19.8677","0.0004","17.9409","0.0003","27.8048","0.0006","90","","90","","90","","9910.9","0.3","122.99","0.19","122.99","0.19","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H69 N2 O4 P4 Ta -","- C42 H59.0003 N2 O3 P4 Ta -","- C336 H472.002 N16 O24 P32 Ta8 -","8","1","","Riedlberger, Felix; Seidl, Michael; Scheer, Manfred","The reaction behavior of [Cp<sub>2</sub>Mo<sub>2</sub>(CO)<sub>4</sub>(μ,η<sup>2:2</sup>-P<sub>2</sub>)] and [Cp''Ta(CO)<sub>2</sub>(η<sup>4</sup>-P<sub>4</sub>)] towards hydroxide and tert-butyl nucleophiles.","Chemical communications (Cambridge, England)","2020","56","89","13836","13839","10.1039/d0cc06150f","","x-ray","1.54184","CuKα","","0.0825","0.0772","","","0.1496","0.1519","","","","","","1.176","","","","has coordinates,has disorder","260650","2021-01-07","04:44:52",""
"7127411","12.3959","0.00015","12.3959","0.00015","13.34104","0.00013","90","","90","","120","","1775.32","0.03","293.07","0.1","293.07","0.1","","","","","","","","5","P 31","P 31","144","","","","- C23 H23 Cl2 N O6 -","- C23 H23 Cl2 N O6 -","- C69 H69 Cl6 N3 O18 -","3","1","","Xu, Huacheng; Nazli, Adila; Zou, Cheng; Wang, Zhi-Peng; He, Yun","Bench-stable imine surrogates for the one-pot and catalytic asymmetric synthesis of α-amino esters/ketones.","Chemical communications (Cambridge, England)","2020","56","91","14243","14246","10.1039/d0cc06055k","","x-ray","1.54184","CuKα","","0.055","0.0542","","","0.1472","0.1506","","","","","","1.038","","","","has coordinates","260685","2021-01-07","04:52:39",""
"7127412","3.9035","0.0004","44.025","0.006","6.0394","0.0006","90","","95.692","0.008","90","","1032.8","0.2","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C28 H16 N2 S2 -","- C28 H16 N2 S2 -","- C56 H32 N4 S4 -","2","1","","Deng, Jian; Wan, Yuejuan; Cai, Chang; Gu, Cheng; Ma, Yuguang","Organic single crystals of cyano-substituted <i>p</i>-phenylene vinylene derivatives as transistors with low surface trap density.","Chemical communications (Cambridge, England)","2020","56","89","13776","13779","10.1039/d0cc06552h","","x-ray","1.54184","CuKα","","0.1452","0.0922","","","0.2266","0.256","","","","","","1.028","","","","has coordinates","260654","2021-01-07","04:45:20",""
"7127413","3.938","0.004","5.87","0.005","18.06","0.02","80.84","0.04","87.25","0.05","86.08","0.04","410.9","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H6 N S -","- C10 H6 N S -","- C20 H12 N2 S2 -","2","1","","Deng, Jian; Wan, Yuejuan; Cai, Chang; Gu, Cheng; Ma, Yuguang","Organic single crystals of cyano-substituted <i>p</i>-phenylene vinylene derivatives as transistors with low surface trap density.","Chemical communications (Cambridge, England)","2020","56","89","13776","13779","10.1039/d0cc06552h","","x-ray","0.71073","MoKα","","0.1193","0.0942","","","0.2976","0.3228","","","","","","1.206","","","","has coordinates","260654","2021-01-07","04:45:20",""
"7127414","18.6217","0.0009","9.3855","0.0004","14.7978","0.0006","90","","101.185","0.005","90","","2537.1","0.2","293","2","293","2","","","","","","","From datablock 201908210","6","C 1 2 1","C 2y","5","","","","- C23 H20 Br N3 O4 S -","- C23 H20 Br N3 O4 S -","- C92 H80 Br4 N12 O16 S4 -","4","1","","Liu, Hui; Yan, Yingkun; Zhang, Jiayan; Liu, Min; Cheng, Shaobing; Wang, Zhouyu; Zhang, Xiaomei","Enantioselective dearomative [3+2] annulation of 5-amino-isoxazoles with quinone monoimines.","Chemical communications (Cambridge, England)","2020","56","88","13591","13594","10.1039/d0cc05807f","","","1.54184","CuKα","","0.0752","0.0545","","","0.1308","0.1691","","","","","","1.062","","","","has coordinates,has disorder","282923","2023-04-29","19:40:29",""
"7127415","11.6772","0.0005","6.3645","0.0004","15.4108","0.0007","90","","93.913","0.004","90","","1142.65","0.1","293","2","293","2","","","","","","","From datablock 201912334","5","P 1 21 1","P 2yb","4","","","","- C22 H25 N3 O6 S -","- C22 H25 N3 O6 S -","- C44 H50 N6 O12 S2 -","2","1","","Liu, Hui; Yan, Yingkun; Zhang, Jiayan; Liu, Min; Cheng, Shaobing; Wang, Zhouyu; Zhang, Xiaomei","Enantioselective dearomative [3+2] annulation of 5-amino-isoxazoles with quinone monoimines.","Chemical communications (Cambridge, England)","2020","56","88","13591","13594","10.1039/d0cc05807f","","x-ray","1.54184","CuKα","","0.0461","0.0409","","","0.1039","0.1097","","","","","","1.039","","","","has coordinates","282923","2023-04-29","19:40:29",""
"7127416","11.6772","0.0005","6.3645","0.0004","15.4108","0.0007","90","","93.913","0.004","90","","1142.65","0.1","293","2","293","2","","","","","","","From datablock 201912334_CCDC1","5","P 1 21 1","P 2yb","4","","","","- C22 H25 N3 O6 S -","- C22 H25 N3 O6 S -","- C44 H50 N6 O12 S2 -","2","1","","Liu, Hui; Yan, Yingkun; Zhang, Jiayan; Liu, Min; Cheng, Shaobing; Wang, Zhouyu; Zhang, Xiaomei","Enantioselective dearomative [3+2] annulation of 5-amino-isoxazoles with quinone monoimines.","Chemical communications (Cambridge, England)","2020","56","88","13591","13594","10.1039/d0cc05807f","","","1.54184","CuKα","","0.0461","0.0409","","","0.1039","0.1097","","","","","","1.039","","","","has coordinates","282923","2023-04-29","19:40:29",""
"7127417","18.6217","0.0009","9.3855","0.0004","14.7978","0.0006","90","","101.185","0.005","90","","2537.1","0.2","293","2","293","2","","","","","","","From datablock 201908210_CCDC1","6","C 1 2 1","C 2y","5","","","","- C23 H20 Br N3 O4 S -","- C23 H20 Br N3 O4 S -","- C92 H80 Br4 N12 O16 S4 -","4","1","","Liu, Hui; Yan, Yingkun; Zhang, Jiayan; Liu, Min; Cheng, Shaobing; Wang, Zhouyu; Zhang, Xiaomei","Enantioselective dearomative [3+2] annulation of 5-amino-isoxazoles with quinone monoimines.","Chemical communications (Cambridge, England)","2020","56","88","13591","13594","10.1039/d0cc05807f","","x-ray","1.54184","CuKα","","0.0752","0.0545","","","0.1308","0.1691","","","","","","1.062","","","","has coordinates,has disorder","282923","2023-04-29","19:40:29",""
"7127418","18.6944","0.0003","5.0904","0.0001","15.1667","0.0002","90","","90","","90","","1443.29","0.04","100","0.1","100","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H13 N5 -","- C18 H13 N5 -","- C72 H52 N20 -","4","1","","Zhang, Chunyan; Liang, Zuyu; Jia, Xiaofei; Wang, Maorong; Zhang, Guoying; Hu, Mao-Lin","A practical base mediated synthesis of 1,2,4-triazoles enabled by a deamination annulation strategy.","Chemical communications (Cambridge, England)","2020","56","91","14215","14218","10.1039/d0cc05828a","","x-ray","1.54184","CuKα","","0.0349","0.0345","","","0.0924","0.0927","","","","","","1.035","","","","has coordinates","260681","2021-01-07","04:51:48",""
"7127419","8.2772","0.0005","8.0905","0.0004","35.589","0.002","90","","90","","90","","2383.3","0.2","273","2","273.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H18 Br7 Cs N2 Pb2 -","- C6 H18 Br7 Cs N2 Pb2 -","- C24 H72 Br28 Cs4 N8 Pb8 -","4","1","","Fu, Dongying; Wu, Shichao; Xin, Jianli; Zhang, Xinyuan; Han, Gaoyi; Zhang, Xian-Ming","Polar CsPbBr<sub>3</sub>-based Dion-Jacobson hybrid for promising UV photodetection.","Chemical communications (Cambridge, England)","2020","56","92","14381","14384","10.1039/d0cc05679k","","","0.71073","MoKα","","0.0847","0.0401","","","0.0794","0.0965","","","","","","0.996","","","","has coordinates","260679","2021-01-07","04:51:30",""
"7127420","14.3007","0.0007","17.1091","0.0005","18.9641","0.0007","88.689","0.003","83.151","0.003","70.462","0.004","4340.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H49 Gd3 N8 O37 -","- C75 H49 Gd3 N8 O37 -","- C150 H98 Gd6 N16 O74 -","2","1","","Li, Pei-Xin; Xie, Zhi-Xin; Jin, Ai-Ping; Li, Jing; Guo, Guo-Cong","A new photochromic Gd-MOF with photoswitchable bluish-white to greenish-yellow emission based on electron transfer.","Chemical communications (Cambridge, England)","2020","56","93","14689","14692","10.1039/d0cc06019d","","","0.71073","MoKα","","0.109","0.067","","","0.1845","0.2153","","","","","","1.033","","","","has coordinates","260627","2021-01-07","04:37:20",""
"7127421","8.0723","0.0004","17.6758","0.0007","11.6674","0.0006","90","","93.046","0.005","90","","1662.4","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O6 -","- C18 H16 N2 O6 -","- C72 H64 N8 O24 -","4","1","","Li, Pei-Xin; Xie, Zhi-Xin; Jin, Ai-Ping; Li, Jing; Guo, Guo-Cong","A new photochromic Gd-MOF with photoswitchable bluish-white to greenish-yellow emission based on electron transfer.","Chemical communications (Cambridge, England)","2020","56","93","14689","14692","10.1039/d0cc06019d","","x-ray","0.71073","MoKα","","0.0698","0.0555","","","0.1594","0.1669","","","","","","1.255","","","","has coordinates","260627","2021-01-07","04:37:20",""
"7127422","11.496","0.0002","18.413","0.0003","14.671","0.0003","90","","106.665","0.002","90","","2975.06","0.1","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 Cl2 Ge N2 P2 Pd -","- C25 H42 Cl2 Ge N2 P2 Pd -","- C100 H168 Cl8 Ge4 N8 P8 Pd4 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Laglera-Gándara, Carlos J; Pérez-Carreño, Enrique","A Z-type PGeP pincer germylene ligand in a T-shaped palladium(0) complex.","Chemical communications (Cambridge, England)","2020","56","90","14095","14097","10.1039/d0cc06614a","","","1.5418","CuKα","","0.0392","0.0363","","","0.0957","0.0998","","","","","","1.03","","","","has coordinates","260659","2021-01-07","04:46:20",""
"7127423","17.5001","0.0004","12.1142","0.0002","18.945","0.0004","90","","114.67","0.001","90","","3649.75","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H52 Ge N2 P2 Pd S2 -","- C37 H52 Ge N2 P2 Pd S2 -","- C148 H208 Ge4 N8 P8 Pd4 S8 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Laglera-Gándara, Carlos J; Pérez-Carreño, Enrique","A Z-type PGeP pincer germylene ligand in a T-shaped palladium(0) complex.","Chemical communications (Cambridge, England)","2020","56","90","14095","14097","10.1039/d0cc06614a","","","1.54178","CuKα","","0.019","0.0178","","","0.041","0.0418","","","","","","1.068","","","","has coordinates","260659","2021-01-07","04:46:23",""
"7127424","11.603","0.001","13.398","0.002","19.749","0.003","90.788","0.006","105.517","0.007","113.557","0.007","2686.3","0.6","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H37 Cl15 K N O6 -","- C41.5 H37 Cl15 K N O6 -","- C83 H74 Cl30 K2 N2 O12 -","2","1","","Mayorga-Burrezo, Paula; Sporer, Christian; de Sousa, J. Alejandro; Capra, Nicola; Wurst, Klaus; Crivillers, Núria; Veciana, Jaume; Rovira, Concepció","Electrocatalytic oxidative Z/E isomerization of a stilbene favoured by the presence of an electroactive persistent radical.","Chemical communications (Cambridge, England)","2020","56","91","14211","14214","10.1039/d0cc04973e","","","0.71073","MoKα","","0.142","0.0846","","","0.1506","0.1685","","","","","","1.134","","","","has coordinates","260683","2021-01-07","04:52:10",""
"7127425","9.0495","0.0009","11.3463","0.0011","13.2051","0.0012","84.652","0.002","76.728","0.001","75.775","0.001","1278.2","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20 F2 N O -","- C32 H20 F2 N2 O -","- C64 H40 F4 N4 O2 -","2","1","","Gao, Yuan; Zhang, Mengfan; Wang, Chaoyu; Yang, Zhen; Huang, Xianqiang; Feng, Ruokun; Qi, Chenze","Cobalt(ii)-catalyzed hydroarylation of 1,3-diynes and internal alkynes with picolinamides promoted by alcohol.","Chemical communications (Cambridge, England)","2020","56","91","14231","14234","10.1039/d0cc05616b","","","0.71073","MoKα","","0.1182","0.059","","","0.1544","0.1926","","","","","","0.935","","","","has coordinates","260684","2021-01-07","04:52:20",""
"7127426","13.51","0.0011","9.6529","0.0008","17.2677","0.0015","90","","95.515","0.001","90","","2241.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 Cl N2 O3 -","- C27 H21 Cl N2 O3 -","- C108 H84 Cl4 N8 O12 -","4","1","","Gao, Yuan; Zhang, Mengfan; Wang, Chaoyu; Yang, Zhen; Huang, Xianqiang; Feng, Ruokun; Qi, Chenze","Cobalt(ii)-catalyzed hydroarylation of 1,3-diynes and internal alkynes with picolinamides promoted by alcohol.","Chemical communications (Cambridge, England)","2020","56","91","14231","14234","10.1039/d0cc05616b","","","0.71073","MoKα","","0.0655","0.0374","","","0.0915","0.1063","","","","","","1.012","","","","has coordinates,has disorder","260684","2021-01-07","04:52:30",""
"7127427","10.6041","0.0011","18.1154","0.0019","13.0961","0.0016","90","","104.601","0.003","90","","2434.5","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H23 N2 O -","- C32 H21 N2 O -","- C128 H84 N8 O4 -","4","1","","Gao, Yuan; Zhang, Mengfan; Wang, Chaoyu; Yang, Zhen; Huang, Xianqiang; Feng, Ruokun; Qi, Chenze","Cobalt(ii)-catalyzed hydroarylation of 1,3-diynes and internal alkynes with picolinamides promoted by alcohol.","Chemical communications (Cambridge, England)","2020","56","91","14231","14234","10.1039/d0cc05616b","","","0.71073","MoKα","","0.1572","0.0635","","","0.1523","0.1926","","","","","","1.038","","","","has coordinates","260684","2021-01-07","04:52:30",""
"7127428","9.9502","0.0007","11.9913","0.0007","14.0968","0.001","113.915","0.006","96.434","0.006","93.254","0.005","1518.19","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 N2 O5 S -","- C31 H26 N2 O5 S -","- C62 H52 N4 O10 S2 -","2","1","","Fang, Qing-Yun; Zhao, Li-Ming","A [4+3] annulation of benzofuran-derived azadienes and α-bromohydroxamates for the synthesis of benzofuran-fused 1,4-diazepinones.","Chemical communications (Cambridge, England)","2020","56","90","14079","14082","10.1039/d0cc06061e","","x-ray","0.71073","MoKα","","0.0846","0.0677","","","0.1935","0.2084","","","","","","1.048","","","","has coordinates","260658","2021-01-07","04:46:10",""
"7127429","20.399","0.0012","20.399","0.0012","14.7613","0.0009","90","","90","","120","","5319.5","0.5","298","","298","","","","","","","","","6","P 65","P 65","170","","C2","","- C22 H36 Cl2 Co2 N10 O8 -","- C22 H36 Cl2 Co2 N10 O8 -","- C132 H216 Cl12 Co12 N60 O48 -","6","1","","Dolui, Dependu; Mir, Ab Qayoom; Dutta, Arnab","Probing the peripheral role of amines in photo- and electrocatalytic H<sub>2</sub> production by molecular cobalt complexes.","Chemical communications (Cambridge, England)","2020","56","94","14841","14844","10.1039/d0cc05786j","","","0.71073","MoKα","","0.0322","0.03","","","0.0863","0.0881","","","","","","0.9919","","","","has coordinates","259358","2020-12-01","01:45:37",""
"7127430","23.699","0.003","16.6746","0.0019","10.1581","0.0012","90","","101.153","0.003","90","","3938.4","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 Li2 N5 O13 -","- C36 H20 Li2 O12 -","- C144 H80 Li8 O48 -","4","0.5","","Nath, Karabi; Bin Rahaman, Abdulla; Moi, Rajib; Maity, Kartik; Biradha, Kumar","Porous Li-MOF as a solid-state electrolyte: exploration of lithium ion conductivity through bio-inspired ionic channels.","Chemical communications (Cambridge, England)","2020","56","94","14873","14876","10.1039/d0cc05728b","","","0.71073","MoKα","","0.09","0.0691","","","0.1995","0.2168","","","","","","1.078","","","","has coordinates","259359","2020-12-01","01:46:21",""
"7127431","21.9","0.03","16.99","0.02","9.436","0.014","90","","109.177","0.005","90","","3316","8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 Li2 N2 O12 -","- C34 H24 Li2 N2 O12.5 -","- C136 H96 Li8 N8 O50 -","4","0.5","","Nath, Karabi; Bin Rahaman, Abdulla; Moi, Rajib; Maity, Kartik; Biradha, Kumar","Porous Li-MOF as a solid-state electrolyte: exploration of lithium ion conductivity through bio-inspired ionic channels.","Chemical communications (Cambridge, England)","2020","56","94","14873","14876","10.1039/d0cc05728b","","","0.71073","MoKα","","0.1251","0.0679","","","0.1893","0.2294","","","","","","0.976","","","","has coordinates","259359","2020-12-01","01:46:22",""
"7127434","22.2922","0.0015","13.8681","0.0009","14.6786","0.0009","90","","107.043","0.002","90","","4338.6","0.5","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H47 B Ir N3 O0.25 -","- C52 H55 B Ir N4 O -","- C208 H220 B4 Ir4 N16 O4 -","4","1","","Pham, Pierce; Hilty, Christian","Tunable iridium catalyst designs with bidentate N-heterocyclic carbene ligands for SABRE hyperpolarization of sterically hindered substrates.","Chemical communications (Cambridge, England)","2020","56","98","15466","15469","10.1039/d0cc06840c","","","0.71073","MoKα","","0.0376","0.0271","","","0.0579","0.063","","","","","","1.089","","","","has coordinates","260649","2021-01-07","04:44:32",""
"7127451","15.0698","0.0006","17.9944","0.0004","5.03671","0.00008","90","","90","","90","","1365.81","0.07","298","","298","","","","","","","","","3","P 21 21 2","P 2 2ab","18","GAM-3","","","- Al12 O67.44 P12 -","- Al12 O67.44 P12 -","- Al12 O67.44 P12 -","1","0.25","","Komura, Kenichi; Aoki, Hisakazu; Tanaka, Kentaro; Ikeda, Takuji","GAM-3: a zeolite formed from AlPO<sub>4</sub>-5 <i>via</i> multistep structural changes.","Chemical communications (Cambridge, England)","2020","56","94","14901","14904","10.1039/d0cc06086k","powder diffraction","","1.54059","CuKα~1~","","0.00938","","","","","","0.0091","0.01668","2.4079","","","","","","","has coordinates","259364","2020-12-01","01:50:06",""
"7127452","16.7631","0.0002","17.4946","0.0002","4.97975","0.00004","90","","90","","90","","1460.38","0.03","298","","298","","","","","","","","","6","P 21 21 2","P 2 2ab","18","GAM-2","","","- C4 H9 Al3 N O12.75 P3 -","- C4 H9 Al3 N O12.75 P3 -","- C16 H36 Al12 N4 O51 P12 -","4","1","","Komura, Kenichi; Aoki, Hisakazu; Tanaka, Kentaro; Ikeda, Takuji","GAM-3: a zeolite formed from AlPO<sub>4</sub>-5 <i>via</i> multistep structural changes.","Chemical communications (Cambridge, England)","2020","56","94","14901","14904","10.1039/d0cc06086k","powder diffraction","","1.54059","CuKα~1~","","0.03008","","","","","","0.03186","0.04037","1.3512","","","","","","","has coordinates","259364","2020-12-01","01:50:09",""
"7127455","7.5891","0.0002","10.1094","0.0003","20.3877","0.0006","95.642","0.001","97.677","0.001","104.552","0.001","1486.17","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 N2 O3 -","- C19 H14 N2 O3 -","- C76 H56 N8 O12 -","4","2","","Marques, Carolina S.; Cruz, Hugo; Lawrence, Simon E.; Gago, Sandra; Prates Ramalho, João P; Morgado, Jorge; Branco, Luís C; Burke, Anthony J.","Ambipolar pentacyclic diamides with interesting electrochemical and optoelectronic properties.","Chemical communications (Cambridge, England)","2020","56","94","14893","14896","10.1039/d0cc04629a","","","1.54178","CuKα","","0.0352","0.0341","","","0.0887","0.0898","","","","","","1.05","","","","has coordinates","259366","2020-12-01","01:51:23",""
"7127456","10.574","0.002","10.8402","0.0014","12.7623","0.0014","70.58","0.03","82.1","0.03","86.46","0.04","1366.3","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H35 B O3 Se -","- C30 H35 B O3 Se -","- C60 H70 B2 O6 Se2 -","2","1","","Mizoguchi, Haruki; Seriu, Masaya; Sakakura, Akira","Synthesis of functionalized cyclopropylboronic esters based on a 1,2-metallate rearrangement of cyclopropenylboronate.","Chemical communications (Cambridge, England)","2020","56","99","15545","15548","10.1039/d0cc07134j","","","0.71075","MoKα","","0.0739","0.0589","","","0.1563","0.1937","","","","","","1.12","","","","has coordinates","260630","2021-01-07","04:38:18",""
"7127461","21.7528","0.0003","51.3282","0.0005","22.4375","0.0003","90","","113.392","0.0017","90","","22993.2","0.6","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C80 H86 N4 O4 Pt2 -","- C42.6667 N2.13333 O2.63333 Pt1.06667 -","- C640 N32 O39.5 Pt16 -","15","7.5","","Inoue, Ryo; Kondo, Riki; Morisaki, Yasuhiro","Experimental and theoretical studies on circularly polarized phosphorescence of a [2.2]paracyclophane-based platinum(ii) complex.","Chemical communications (Cambridge, England)","2020","56","98","15438","15441","10.1039/d0cc06205g","","x-ray","0.71073","MoKα","","0.0983","0.0619","","","0.1705","0.1907","","","","","","0.879","","","","has coordinates,has disorder","260648","2021-01-07","04:44:24",""
"7127462","10.2748","0.0004","14.2248","0.0003","10.9525","0.0003","90","","115.5","0.004","90","","1444.84","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H37 N O5 -","- C33 H37 N O5 -","- C66 H74 N2 O10 -","2","1","","Xiang, Min; Li, Chen-Yi; Song, Xiang-Jia; Zou, Ying; Huang, Zhi-Cheng; Li, Xia; Tian, Fang; Wang, Li-Xin","Organocatalytic and enantioselective [4+2] cyclization between hydroxymaleimides and <i>ortho</i>-hydroxyphenyl <i>para</i>-quinone methide-selective preparation of chiral hemiketals.","Chemical communications (Cambridge, England)","2020","56","94","14825","14828","10.1039/d0cc06777f","","x-ray","1.54184","CuKα","","0.0486","0.0436","","","0.1149","0.1214","","","","","","1.049","","","","has coordinates","259370","2020-12-01","01:54:11",""
"7127463","10.538","0.0006","12.9179","0.001","13.0658","0.0009","98.879","0.006","105.364","0.006","95.484","0.006","1677","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Cl3 N O5 -","- C34 H38 Cl3 N O5 -","- C68 H76 Cl6 N2 O10 -","2","1","","Xiang, Min; Li, Chen-Yi; Song, Xiang-Jia; Zou, Ying; Huang, Zhi-Cheng; Li, Xia; Tian, Fang; Wang, Li-Xin","Organocatalytic and enantioselective [4+2] cyclization between hydroxymaleimides and <i>ortho</i>-hydroxyphenyl <i>para</i>-quinone methide-selective preparation of chiral hemiketals.","Chemical communications (Cambridge, England)","2020","56","94","14825","14828","10.1039/d0cc06777f","","x-ray","1.54184","CuKα","","0.0934","0.0716","","","0.1933","0.2204","","","","","","1.039","","","","has coordinates,has disorder","259370","2020-12-01","01:54:15",""
"7127464","6.0435","0.0005","7.958","0.0006","13.3572","0.0011","75.36","0.002","83.114","0.002","77.584","0.002","605.55","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C32 H22 N2 O4 -","2","1","","Wang, Ali; Xie, Xin; Zhang, Chunli; Liu, Yuanhong","Gold/Lewis acid catalyzed oxidative cyclization involving activation of nitriles.","Chemical communications (Cambridge, England)","2020","56","99","15581","15584","10.1039/d0cc06875f","","","0.71073","MoKα","","0.0447","0.0389","","","0.1049","0.1117","","","","","","1.043","","","","has coordinates","260629","2021-01-07","04:38:11",""
"7127465","15.5206","0.0007","10.7027","0.0004","7.9095","0.0003","90","","90.741","0.001","90","","1313.76","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Wang, Ali; Xie, Xin; Zhang, Chunli; Liu, Yuanhong","Gold/Lewis acid catalyzed oxidative cyclization involving activation of nitriles.","Chemical communications (Cambridge, England)","2020","56","99","15581","15584","10.1039/d0cc06875f","","","0.71073","MoKα","","0.0561","0.0447","","","0.1166","0.1264","","","","","","1.035","","","","has coordinates","260629","2021-01-07","04:38:12",""
"7127466","16.21","0.0008","5.463","0.0003","30.5412","0.0019","90","","90","","90","","2704.6","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H11 N O3 S -","- C15 H11 N O3 S -","- C120 H88 N8 O24 S8 -","8","2","","Wang, Ali; Xie, Xin; Zhang, Chunli; Liu, Yuanhong","Gold/Lewis acid catalyzed oxidative cyclization involving activation of nitriles.","Chemical communications (Cambridge, England)","2020","56","99","15581","15584","10.1039/d0cc06875f","","","0.71073","MoKα","","0.0658","0.0549","","","0.1571","0.1718","","","","","","1.051","","","","has coordinates","260629","2021-01-07","04:38:12",""
"7127467","12.757","0.003","14.616","0.003","24.915","0.005","73.84","0.03","86.54","0.03","79.7","0.03","4389.8","1.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H132 Cs7.5 Dy4 K0.5 O180 P8 W32 -","- C21.48 H17.48 Cs7.4722 Dy4 K0.5 O161 P8 W32 -","- C21.48 H17.48 Cs7.4722 Dy4 K0.5 O161 P8 W32 -","1","0.5","","Wang, Wenyan; Izarova, Natalya V.; van Leusen, Jan; Kögerler, Paul","Polyoxometalates with separate lacuna sites.","Chemical communications (Cambridge, England)","2020","56","94","14857","14860","10.1039/d0cc05791f","","","0.71073","MoKα","","0.1357","0.087","","","0.2206","0.2469","","","","","","0.994","","","","has coordinates,has disorder","259372","2020-12-01","01:55:46",""
"7127468","12.902","0.003","14.649","0.003","24.956","0.005","73.56","0.03","86.69","0.03","79.61","0.03","4449.6","1.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H128 Cs7.5 K0.5 O178 P8 W32 Y4 -","- C20.592 H15.74 Cs6.9702 K0.5 O157.18 P8 W32 Y4 -","- C20.592 H15.74 Cs6.9702 K0.5 O157.18 P8 W32 Y4 -","1","0.5","","Wang, Wenyan; Izarova, Natalya V.; van Leusen, Jan; Kögerler, Paul","Polyoxometalates with separate lacuna sites.","Chemical communications (Cambridge, England)","2020","56","94","14857","14860","10.1039/d0cc05791f","","","0.71073","MoKα","","0.1434","0.0815","","","0.1959","0.2201","","","","","","1.014","","","","has coordinates,has disorder","259372","2020-12-01","01:55:47",""
"7127469","11.29","0.009","17.502","0.013","16.876","0.013","90","","96.935","0.009","90","","3310","4","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H51 Al N3 Ni P3 -","- C30 H51 Al N3 Ni P3 -","- C120 H204 Al4 N12 Ni4 P12 -","4","1","","Lai, Qingheng; Cosio, Mario N.; Ozerov, Oleg V.","Ni complexes of an alane/tris(phosphine) ligand built around a strongly Lewis acidic tris(<i>N</i>-pyrrolyl)aluminum.","Chemical communications (Cambridge, England)","2020","56","94","14845","14848","10.1039/d0cc05452f","","","0.71073","MoKα","","0.0307","0.0267","","","0.068","0.07","","","","","","1.069","","","","has coordinates","259373","2020-12-01","01:56:15",""
"7127470","8.7927","0.0004","13.0246","0.0005","19.6787","0.0009","90","","90","","90","","2253.63","0.17","298.15","","298.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 B F2 N2 O2 S -","- C24 H21 B F2 N2 O2 S -","- C96 H84 B4 F8 N8 O8 S4 -","4","1","","Lv, Fan; Guo, Xing; Wu, Hao; Li, Heng; Tang, Bing; Yu, Changjiang; Hao, Erhong; Jiao, Lijuan","Direct sulfonylation of BODIPY dyes with sodium sulfinates through oxidative radical hydrogen substitution at the α-position.","Chemical communications (Cambridge, England)","2020","56","99","15577","15580","10.1039/d0cc07259a","","","0.71073","MoKα","","0.0366","0.034","","","0.0911","0.0949","","","","","","1.062","","","","has coordinates","260628","2021-01-07","04:38:02",""
"7127472","10.7764","0.0004","8.4814","0.0003","15.9946","0.0007","90","","97.431","0.002","90","","1449.61","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Mayakrishnan, Sivakalai; Tamizmani, Masilamani; Maheswari, Naryanan Uma","Harnessing hypervalent iodonium ylides as carbene precursors: C-H activation of N-methoxybenzamides with a Rh(iii)-catalyst.","Chemical communications (Cambridge, England)","2020","56","98","15462","15465","10.1039/d0cc06038k","","","0.71073","MoKα","","0.063","0.0467","","","0.1194","0.1343","","","","","","1.009","","","","has coordinates","260646","2021-01-07","04:42:06",""
"7127473","9.9039","0.0003","11.0962","0.0003","11.7769","0.0004","87.0152","0.0014","68.9253","0.0012","88.648","0.0013","1206.01","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H27 N O4 -","- C31 H27 N O4 -","- C62 H54 N2 O8 -","2","1","","Mayakrishnan, Sivakalai; Tamizmani, Masilamani; Maheswari, Naryanan Uma","Harnessing hypervalent iodonium ylides as carbene precursors: C-H activation of N-methoxybenzamides with a Rh(iii)-catalyst.","Chemical communications (Cambridge, England)","2020","56","98","15462","15465","10.1039/d0cc06038k","","","0.71073","MoKα","","0.054","0.039","","","0.1","0.1139","","","","","","1.033","","","","has coordinates","260646","2021-01-07","04:42:06",""
"7127475","28.4265","0.0007","27.2114","0.0009","10.4341","0.0003","90","","90","","90","","8071","0.4","109","13","109","13","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C88.19 H116.39 La Na3 O13.05 -","- C88.196 H116.392 La Na3 O13.049 -","- C352.784 H465.568 La4 Na12 O52.196 -","4","1","","Deng, Min; Schley, Nathan D.; Ung, Gaël","High circularly polarized luminescence brightness from analogues of Shibasaki's lanthanide complexes.","Chemical communications (Cambridge, England)","2020","56","94","14813","14816","10.1039/d0cc06568d","","x-ray","0.71073","MoKα","","0.0805","0.0633","","","0.1235","0.131","","","","","","1.099","","","","has coordinates,has disorder","259378","2020-12-01","01:59:22",""
"7127476","14.168","0.015","18.79","0.02","19.86","0.02","105.16","0.03","97.23","0.03","104.28","0.03","4842","9","120","2","120","","","","","","","","","7","P -1","-P 1","2","","","","- C80 H120 K La N4 O6 P4 -","- C80 H120 K La N4 O6 P4 -","- C160 H240 K2 La2 N8 O12 P8 -","2","1","","Watt, Fabian A.; McCabe, Karl N.; Schoch, Roland; Maron, Laurent; Hohloch, Stephan","A transient lanthanum phosphinidene complex.","Chemical communications (Cambridge, England)","2020","56","98","15410","15413","10.1039/d0cc06670b","","","0.71073","MoKα","","0.2041","0.0981","","","0.2147","0.2883","","","","","","0.959","","","","has coordinates","260647","2021-01-07","04:44:08",""
"7127477","13.3178","0.0009","25.2864","0.0017","25.5213","0.0017","116.117","0.002","98.326","0.002","99.911","0.002","7361.7","0.9","120","2","120","","","","","","","","","7","P -1","-P 1","2","","","","- C65 H96 K La N2 O7 P2 -","- C65 H96 K La N2 O7 P2 -","- C260 H384 K4 La4 N8 O28 P8 -","4","2","","Watt, Fabian A.; McCabe, Karl N.; Schoch, Roland; Maron, Laurent; Hohloch, Stephan","A transient lanthanum phosphinidene complex.","Chemical communications (Cambridge, England)","2020","56","98","15410","15413","10.1039/d0cc06670b","","","0.71073","MoKα","","0.0824","0.0518","","","0.1182","0.1437","","","","","","1.084","","","","has coordinates","296876","2024-12-16","17:34:43",""
"7127478","12.75","0.0008","15.9812","0.0008","21.2031","0.0014","105.285","0.002","94.133","0.003","109.532","0.003","3866.2","0.4","120","2","120","","","","","","","","","7","P -1","-P 1","2","","","","- C71 H109 K La N4 O6 P3 -","- C71 H109 K La N4 O6 P3 -","- C142 H218 K2 La2 N8 O12 P6 -","2","1","","Watt, Fabian A.; McCabe, Karl N.; Schoch, Roland; Maron, Laurent; Hohloch, Stephan","A transient lanthanum phosphinidene complex.","Chemical communications (Cambridge, England)","2020","56","98","15410","15413","10.1039/d0cc06670b","","","0.71073","MoKα","","0.0367","0.0303","","","0.0814","0.0861","","","","","","1.097","","","","has coordinates","260647","2021-01-07","04:44:08",""
"7127479","14.0506","0.0008","14.3744","0.0008","18.1614","0.001","99.417","0.002","90.617","0.002","91.294","0.002","3617.3","0.4","120","2","120","","","","","","","","","7","P -1","-P 1","2","","","","- C134 H204 K2 La2 N4 O13 P6 -","- C134 H204 K2 La2 N4 O13 P6 -","- C134 H204 K2 La2 N4 O13 P6 -","1","0.5","","Watt, Fabian A.; McCabe, Karl N.; Schoch, Roland; Maron, Laurent; Hohloch, Stephan","A transient lanthanum phosphinidene complex.","Chemical communications (Cambridge, England)","2020","56","98","15410","15413","10.1039/d0cc06670b","","","0.71073","MoKα","","0.04","0.0326","","","0.0906","0.0979","","","","","","1.11","","","","has coordinates,has disorder","260647","2021-01-07","04:44:08",""
"7127480","47.491","0.002","18.5114","0.001","27.2738","0.0013","90","","90","","90","","23977","2","100","","100","","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C112 H72.53 Cd3 Cl1.47 N24 O0.53 -","- C112 H72.53 Cd3 Cl1.47 N24 O0.53 -","- C896 H580.24 Cd24 Cl11.76 N192 O4.24 -","8","0.5","","Huang, Qing; Niu, Qian; Ma, Na-Na; Dong, Long-Zhang; Li, Shun-Li; Li, Dong-Sheng; Cai, Yue-Peng; Lan, Ya-Qian","Axial Cl/Br atom-mediated CO<sub>2</sub> electroreduction performance in a stable porphyrin-based metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","94","14817","14820","10.1039/d0cc06092e","","","0.77485","synchrotron","","0.125","0.0895","","","0.1785","0.1919","","","","","","1.076","","","","has coordinates,has disorder","259380","2020-12-01","02:03:48",""
"7127481","47.7736","0.0013","18.5513","0.0005","27.2877","0.0008","90","","90","","90","","24184.1","1.2","100","","100","","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C112 H74.8 Br1.2 Cd3 N24 O0.8 -","- C112 H74.799 Br1.201 Cd3 N24 O0.799 -","- C896 H598.392 Br9.608 Cd24 N192 O6.392 -","8","0.5","","Huang, Qing; Niu, Qian; Ma, Na-Na; Dong, Long-Zhang; Li, Shun-Li; Li, Dong-Sheng; Cai, Yue-Peng; Lan, Ya-Qian","Axial Cl/Br atom-mediated CO<sub>2</sub> electroreduction performance in a stable porphyrin-based metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","94","14817","14820","10.1039/d0cc06092e","","","0.77485","synchrotron","","0.067","0.0625","","","0.1729","0.1785","","","","","","1.04","","","","has coordinates,has disorder","259380","2020-12-01","02:03:49",""
"7127482","6.352","0.0001","8.2274","0.0001","33.0348","0.0006","90","","91.298","0.001","90","","1725.97","0.05","100","0.1","100.2","0.6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 F6 N3 P -","- C17 H18 F6 N3 P -","- C68 H72 F24 N12 P4 -","4","1","","OwYong, Tze Cin; Ding, Siyang; Wu, Na; Fellowes, Thomas; Chen, Sijie; White, Jonathan M.; Wong, Wallace W. H.; Hong, Yuning","Optimising molecular rotors to AIE fluorophores for mitochondria uptake and retention.","Chemical communications (Cambridge, England)","2020","56","94","14853","14856","10.1039/d0cc06411d","","x-ray","0.71073","MoKα","","0.0736","0.0459","","","0.1353","0.1504","","","","","","1.086","","","","has coordinates","259381","2020-12-01","02:04:43",""
"7127483","30.1428","0.0006","6.1951","0.0001","23.4009","0.0004","90","","93.329","0.002","90","","4362.46","0.13","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 F6 N3 P -","- C23 H22 F6 N3 P -","- C184 H176 F48 N24 P8 -","8","1","","OwYong, Tze Cin; Ding, Siyang; Wu, Na; Fellowes, Thomas; Chen, Sijie; White, Jonathan M.; Wong, Wallace W. H.; Hong, Yuning","Optimising molecular rotors to AIE fluorophores for mitochondria uptake and retention.","Chemical communications (Cambridge, England)","2020","56","94","14853","14856","10.1039/d0cc06411d","","x-ray","1.54184","CuKα","","0.1046","0.1012","","","0.2844","0.2856","","","","","","1.116","","","","has coordinates","259381","2020-12-01","02:04:43",""
"7127484","8.80384","0.00016","9.18711","0.00017","30.3074","0.0006","90","","96.5951","0.001","90","","2435.1","0.08","93","2","93","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C70 H56 -","- C70 H56 -","- C140 H112 -","2","0.5","","Kitamura, Kei; Kudo, Ryoji; Sugiyama, Haruki; Uekusa, Hidehiro; Hamura, Toshiyuki","Isoacenofuran: a novel quinoidal building block for efficient access to high-ordered polyacene derivatives.","Chemical communications (Cambridge, England)","2020","56","95","14988","14991","10.1039/d0cc06620f","","","1.54186","CuKα","","0.1527","0.0887","","","0.2264","0.2787","","","","","","0.994","","","","has coordinates","259642","2020-12-08","01:54:14",""
"7127485","8.30435","0.00019","23.1463","0.0004","9.755","0.0002","90","","108.672","0.003","90","","1776.37","0.07","296.75","0.18","296.75","0.18","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 O2 -","- C25 H16 O2 -","- C100 H64 O8 -","4","1","","Chen, Xingyu; Yan, Lipeng; Liu, Yanhong; Yang, Yudong; You, Jingsong","Switchable cascade C-H annulation to polycyclic pyryliums and pyridiniums: discovering mitochondria-targeting fluorescent probes.","Chemical communications (Cambridge, England)","2020","56","95","15080","15083","10.1039/d0cc06997c","","x-ray","1.54184","CuKα","","0.0569","0.0512","","","0.1407","0.1484","","","","","","1.028","","","","has coordinates","259643","2020-12-08","01:55:10",""
"7127486","16.353","0.0005","13.2053","0.0003","20.2472","0.0007","90","","100.35","0.003","90","","4301.2","0.2","296.4","0.7","296.4","0.7","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H34 B F4 N O -","- C53 H34 B F4 N O -","- C212 H136 B4 F16 N4 O4 -","4","1","","Chen, Xingyu; Yan, Lipeng; Liu, Yanhong; Yang, Yudong; You, Jingsong","Switchable cascade C-H annulation to polycyclic pyryliums and pyridiniums: discovering mitochondria-targeting fluorescent probes.","Chemical communications (Cambridge, England)","2020","56","95","15080","15083","10.1039/d0cc06997c","","x-ray","1.54184","CuKα","","0.092","0.0768","","","0.2365","0.2564","","","","","","1.102","","","","has coordinates","259643","2020-12-08","01:55:11",""
"7127487","19.1081","0.0004","19.1081","0.0004","24.3996","0.0006","90","","90","","90","","8908.8","0.3","150","","150","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C53.5 H34 B0.5 Cl F2 O2 -","- C53.5 H34 B0.5 Cl F2 O2 -","- C428 H272 B4 Cl8 F16 O16 -","8","1","","Chen, Xingyu; Yan, Lipeng; Liu, Yanhong; Yang, Yudong; You, Jingsong","Switchable cascade C-H annulation to polycyclic pyryliums and pyridiniums: discovering mitochondria-targeting fluorescent probes.","Chemical communications (Cambridge, England)","2020","56","95","15080","15083","10.1039/d0cc06997c","","x-ray","1.54184","CuKα","","0.1186","0.0899","","","0.2573","0.2869","","","","","","1.042","","","","has coordinates","259643","2020-12-08","01:55:11",""
"7127488","18.3148","0.0003","7.58","0.0001","27.7096","0.0005","90","","90","","90","","3846.82","0.11","292.9","0.1","292.9","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","cyx","","- C23 H18 Cl N3 O -","- C23 H18 Cl N3 O -","- C184 H144 Cl8 N24 O8 -","8","1","","Cui, Yixin; Bai, Dachang; Liu, Bingxian; Chang, Junbiao; Li, Xingwei","Rh(iii)-Catalyzed acylation of heteroarenes with cyclobutenones via C-H/C-C bond activation.","Chemical communications (Cambridge, England)","2020","56","100","15631","15634","10.1039/d0cc05965j","","x-ray","1.54184","CuKα","","0.092","0.0869","","","0.2393","0.2446","","","","","","1.0363","","","","has coordinates","260703","2021-01-07","04:56:56",""
"7127489","13.861","0.002","13.3307","0.0019","20.858","0.003","90","","98.406","0.003","90","","3812.7","0.9","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H64 Si6 -","- C34 H64 Si6 -","- C136 H256 Si24 -","4","0.5","","Ishida, Shintaro; Sugawara, Shohei; Honda, Shunya; Iwamoto, Takeaki","Naphtho- and anthra-disilacyclobutadienes.","Chemical communications (Cambridge, England)","2020","56","95","15072","15075","10.1039/d0cc06603f","","","0.71073","MoKα","","0.0422","0.037","","","0.0982","0.1026","","","","","","1.098","","","","has coordinates","259645","2020-12-08","01:57:48",""
"7127490","12.95","0.0006","13.4087","0.0007","14.2041","0.0007","92.261","0.001","101.164","0.001","100.116","0.001","2375.2","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H74 Si6 -","- C45 H74 Si6 -","- C90 H148 Si12 -","2","1","","Ishida, Shintaro; Sugawara, Shohei; Honda, Shunya; Iwamoto, Takeaki","Naphtho- and anthra-disilacyclobutadienes.","Chemical communications (Cambridge, England)","2020","56","95","15072","15075","10.1039/d0cc06603f","","","0.71073","MoKα","","0.0389","0.0331","","","0.0846","0.0891","","","","","","1.041","","","","has coordinates","259645","2020-12-08","01:57:49",""
"7127494","19.844","0.007","19.844","0.007","19.496","0.009","90","","90","","120","","6649","5","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Cl Mn7 Rb6 Se44 Yb23 -","- Cl Mn7.00002 Rb6 Se44 Yb23 -","- Cl3 Mn21.0001 Rb18 Se132 Yb68.9999 -","3","0.0833333","","Chen, Hong; Liu, Peng-Fei; Lin, Hua; Wu, Xin-Tao","A new type of novel salt-inclusion chalcogenide with ultralow thermal conductivity.","Chemical communications (Cambridge, England)","2020","56","96","15149","15152","10.1039/d0cc06306a","","","0.71073","MoKα","","0.0319","0.0306","","","0.085","0.0861","","","","","","1.097","","","","has coordinates,has disorder","259661","2020-12-09","01:45:57",""
"7127495","19.948","0.0006","19.948","0.0006","19.5948","0.0011","90","","90","","120","","6752.6","0.5","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Cl Er23 Mn7 Rb6 Se44 -","- Cl Er23 Mn6.99996 Rb6 Se44 -","- Cl3 Er69.0001 Mn20.9999 Rb18 Se132 -","3","0.0833333","","Chen, Hong; Liu, Peng-Fei; Lin, Hua; Wu, Xin-Tao","A new type of novel salt-inclusion chalcogenide with ultralow thermal conductivity.","Chemical communications (Cambridge, England)","2020","56","96","15149","15152","10.1039/d0cc06306a","","","0.71073","MoKα","","0.0315","0.0291","","","0.0747","0.0766","","","","","","1.067","","","","has coordinates,has disorder","259661","2020-12-09","01:45:58",""
"7127496","20.0423","0.0004","20.0423","0.0004","19.6668","0.0008","90","","90","","120","","6841.6","0.3","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Cl Ho23 Mn7 Rb6 Se44 -","- Cl Ho23 Mn7.00002 Rb6 Se44 -","- Cl3 Ho68.9999 Mn21.0001 Rb18 Se132 -","3","0.0833333","","Chen, Hong; Liu, Peng-Fei; Lin, Hua; Wu, Xin-Tao","A new type of novel salt-inclusion chalcogenide with ultralow thermal conductivity.","Chemical communications (Cambridge, England)","2020","56","96","15149","15152","10.1039/d0cc06306a","","","0.71073","MoKα","","0.0366","0.0334","","","0.0719","0.0734","","","","","","1.022","","","","has coordinates,has disorder","259661","2020-12-09","01:45:58",""
"7127497","19.9137","0.0013","19.9137","0.0013","19.547","0.002","90","","90","","120","","6713","0.9","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Cl Mn7 Rb6 Se44 Tm23 -","- Cl Mn7.00002 Rb6 Se44 Tm23 -","- Cl3 Mn21.0001 Rb18 Se132 Tm68.9999 -","3","0.0833333","","Chen, Hong; Liu, Peng-Fei; Lin, Hua; Wu, Xin-Tao","A new type of novel salt-inclusion chalcogenide with ultralow thermal conductivity.","Chemical communications (Cambridge, England)","2020","56","96","15149","15152","10.1039/d0cc06306a","","","0.71073","MoKα","","0.0481","0.0431","","","0.1012","0.1045","","","","","","1.088","","","","has coordinates,has disorder","259661","2020-12-09","01:45:58",""
"7127498","10.5434","0.0007","12.209","0.0008","12.9764","0.0009","89.428","0.002","77.02","0.002","75.639","0.002","1574.99","0.18","302","2","302","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H35 N O5 -","- C38 H35 N O5 -","- C76 H70 N2 O10 -","2","1","","Kumar, Krishna; Singh, Bhuvnesh; Singh, Ravi P.","A silver-catalyzed stereoselective domino cycloisomerization-vinylogous aldol reaction of <i>ortho</i>-alkynylbenzaldehydes with 3-alkylidene oxindoles: an entry to functionalized isochromenes.","Chemical communications (Cambridge, England)","2020","56","96","15153","15156","10.1039/d0cc06273a","","","0.71073","MoKα","","0.1151","0.0626","","","0.1645","0.202","","","","","","0.924","","","","has coordinates","259662","2020-12-09","01:47:10",""
"7127499","15.1432","0.0006","12.4911","0.0005","16.2178","0.0006","90","","104.238","0.001","90","","2973.4","0.2","302","2","302","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 N O4 -","- C37 H33 N O4 -","- C148 H132 N4 O16 -","4","1","","Kumar, Krishna; Singh, Bhuvnesh; Singh, Ravi P.","A silver-catalyzed stereoselective domino cycloisomerization-vinylogous aldol reaction of <i>ortho</i>-alkynylbenzaldehydes with 3-alkylidene oxindoles: an entry to functionalized isochromenes.","Chemical communications (Cambridge, England)","2020","56","96","15153","15156","10.1039/d0cc06273a","","","0.71073","MoKα","","0.1402","0.057","","","0.1417","0.182","","","","","","0.939","","","","has coordinates","259662","2020-12-09","01:47:11",""
"7127500","18.0184","0.0006","12.0638","0.0004","19.2753","0.0006","90","","115.96","0.0003","90","","3767.1","0.2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 Bi N P2 Pt -","- C36 H56 Bi N P2 Pt -","- C144 H224 Bi4 N4 P8 Pt4 -","4","1","","Shimada, Shigeru; Wang, Xiang-Bo; Tanaka, Masato","Oxidative addition of Bi-C bonds to Pt(0): reaction of Pt(PEt<sub>3</sub>)<sub>3</sub> with cyclic organobismuth compounds.","Chemical communications (Cambridge, England)","2020","56","96","15216","15219","10.1039/d0cc07408j","","","0.71069","MoKα","","0.0244","0.0182","","","0.0352","0.0364","","","","","","1.104","","","","has coordinates","259664","2020-12-09","01:48:08",""
"7127501","12.278","0.002","14.7178","0.0006","18.1372","0.0007","90","","91.378","0.004","90","","3276.5","0.6","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H51 Bi Cl N P2 Pt -","- C30 H51 Bi Cl N P2 Pt -","- C120 H204 Bi4 Cl4 N4 P8 Pt4 -","4","1","","Shimada, Shigeru; Wang, Xiang-Bo; Tanaka, Masato","Oxidative addition of Bi-C bonds to Pt(0): reaction of Pt(PEt<sub>3</sub>)<sub>3</sub> with cyclic organobismuth compounds.","Chemical communications (Cambridge, England)","2020","56","96","15216","15219","10.1039/d0cc07408j","","x-ray","0.71073","MoKα","","0.1784","0.0755","","","0.1419","0.1577","","","","","","0.901","","","","has coordinates,has disorder","259664","2020-12-09","01:48:08",""
"7127502","12.8505","0.0004","13.1916","0.0004","21.3892","0.0007","90","","94.966","0.0004","90","","3612.3","0.2","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H53 Bi Cl3 N P2 Pt -","- C31 H53 Bi Cl3 N P2 Pt -","- C124 H212 Bi4 Cl12 N4 P8 Pt4 -","4","1","","Shimada, Shigeru; Wang, Xiang-Bo; Tanaka, Masato","Oxidative addition of Bi-C bonds to Pt(0): reaction of Pt(PEt<sub>3</sub>)<sub>3</sub> with cyclic organobismuth compounds.","Chemical communications (Cambridge, England)","2020","56","96","15216","15219","10.1039/d0cc07408j","","","0.71069","MoKα","","0.0233","0.0197","","","0.0406","0.0416","","","","","","1.064","","","","has coordinates","259664","2020-12-09","01:48:08",""
"7127504","5.9321","0.0006","11.9878","0.0013","14.8586","0.0016","73.9545","0.0012","80.1893","0.0013","84.8797","0.0012","999.63","0.18","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C38 H16 F12 I6 -","- C38 H16 F12 I6 -","- C38 H16 F12 I6 -","1","0.5","","Vainauskas, Jogirdas; Topić, Filip; Bushuyev, Oleksandr S.; Barrett, Christoper J.; Friščić, Tomislav","Halogen bonding to the azulene π-system: cocrystal design of pleochroism.","Chemical communications (Cambridge, England)","2020","56","96","15145","15148","10.1039/d0cc04758a","","x-ray","0.71073","MoKα","","0.0328","0.0251","","","0.0595","0.0637","","","","","","1.021","","","","has coordinates","259666","2020-12-09","01:49:18",""
"7127505","6.0619","0.0009","11.9613","0.0017","12.6449","0.0018","88.7995","0.0016","79.8911","0.0017","88.7903","0.0017","902.3","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H8 F16 I4 N4 -","- C34 H8 F16 I4 N4 -","- C34 H8 F16 I4 N4 -","1","0.5","","Vainauskas, Jogirdas; Topić, Filip; Bushuyev, Oleksandr S.; Barrett, Christoper J.; Friščić, Tomislav","Halogen bonding to the azulene π-system: cocrystal design of pleochroism.","Chemical communications (Cambridge, England)","2020","56","96","15145","15148","10.1039/d0cc04758a","","x-ray","0.71073","MoKα","","0.0394","0.0285","","","0.0666","0.0722","","","","","","1.028","","","","has coordinates,has disorder","259666","2020-12-09","01:49:19",""
"7127506","5.9617","0.0002","12.0425","0.0004","14.9758","0.0005","73.9375","0.0013","80.8173","0.0015","85.0271","0.0016","1018.93","0.06","253","0.1","253","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C38 H16 F12 I6 -","- C38 H16 F12 I6 -","- C38 H16 F12 I6 -","1","0.5","","Vainauskas, Jogirdas; Topić, Filip; Bushuyev, Oleksandr S.; Barrett, Christoper J.; Friščić, Tomislav","Halogen bonding to the azulene π-system: cocrystal design of pleochroism.","Chemical communications (Cambridge, England)","2020","56","96","15145","15148","10.1039/d0cc04758a","","x-ray","1.54184","CuKα","","0.0818","0.0719","","","0.2037","0.2292","","","","","","1.038","","","","has coordinates","259666","2020-12-09","01:49:19",""
"7127507","6.0053","0.0003","11.9473","0.0005","18.8788","0.0007","71.556","0.004","89.199","0.003","83.434","0.004","1276.14","0.1","253","0.1","253","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H24 F16 I4 N4 -","- C54 H24 F16 I4 N4 -","- C54 H24 F16 I4 N4 -","1","0.5","","Vainauskas, Jogirdas; Topić, Filip; Bushuyev, Oleksandr S.; Barrett, Christoper J.; Friščić, Tomislav","Halogen bonding to the azulene π-system: cocrystal design of pleochroism.","Chemical communications (Cambridge, England)","2020","56","96","15145","15148","10.1039/d0cc04758a","","x-ray","1.54184","CuKα","","0.0677","0.0457","","","0.1107","0.1346","","","","","","1.024","","","","has coordinates,has disorder","259666","2020-12-09","01:49:19",""
"7127508","5.9541","0.0004","9.6644","0.0007","11.8639","0.0009","67.331","0.002","85.205","0.003","80.816","0.002","621.68","0.08","253","0.1","253","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H8 F8 I4 -","- C22 H8 F8 I4 -","- C22 H8 F8 I4 -","1","0.5","","Vainauskas, Jogirdas; Topić, Filip; Bushuyev, Oleksandr S.; Barrett, Christoper J.; Friščić, Tomislav","Halogen bonding to the azulene π-system: cocrystal design of pleochroism.","Chemical communications (Cambridge, England)","2020","56","96","15145","15148","10.1039/d0cc04758a","","x-ray","0.71073","MoKα","","0.0708","0.0391","","","0.067","0.0774","","","","","","1.023","","","","has coordinates,has disorder","259666","2020-12-09","01:49:19",""
"7127509","16.0226","0.0004","17.1096","0.0004","23.7566","0.0006","93.645","0.002","98.841","0.002","94.484","0.002","6396.6","0.3","100","0.1","100","0.1","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C120 H144 Co4 N6 O6 Se6 -","- C120 H144 Co4 N6 O6 Se6 -","- C240 H288 Co8 N12 O12 Se12 -","2","1","","Sarkar, Prasenjit; Konch, Tukhar Jyoti; Kamilya, Tapas; Raidongia, Kalyan; Acharya, Somobrata; Mukherjee, Chandan","The range of antiferromagnetic coupling governs the conductivity: semiconducting behavior and ammonia gas sensing property of diamagnetic hexaradical-containing tetranuclear Co<sup>III</sup><sub>4</sub> cluster and its nonradical congener.","Chemical communications (Cambridge, England)","2020","56","96","15220","15223","10.1039/d0cc04061d","","x-ray","0.71073","MoKα","","0.0839","0.0545","","","0.1363","0.1499","","","","","","1.012","","","","has coordinates","298328","2025-03-07","16:31:39",""
"7127510","17.1932","0.0006","19.1994","0.0006","21.9119","0.0007","98.522","0.002","101.989","0.003","110.296","0.003","6442","0.4","104","6","104","6","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C126 H150 Co4 N6 O6 Se6 -","- C126 H150 Co4 N6 O6 Se6 -","- C252 H300 Co8 N12 O12 Se12 -","2","1","","Sarkar, Prasenjit; Konch, Tukhar Jyoti; Kamilya, Tapas; Raidongia, Kalyan; Acharya, Somobrata; Mukherjee, Chandan","The range of antiferromagnetic coupling governs the conductivity: semiconducting behavior and ammonia gas sensing property of diamagnetic hexaradical-containing tetranuclear Co<sup>III</sup><sub>4</sub> cluster and its nonradical congener.","Chemical communications (Cambridge, England)","2020","56","96","15220","15223","10.1039/d0cc04061d","","x-ray","0.71073","MoKα","","0.0811","0.0547","","","0.1349","0.1472","","","","","","1.074","","","","has coordinates","259667","2020-12-09","01:49:57",""
"7127511","11.14","0.004","13.27","0.003","16.669","0.005","98.91","0.01","90.453","0.007","99.668","0.007","2398.4","1.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C58 H38 O4 -","- C58 H38 O4 -","- C116 H76 O8 -","2","1","","Chang, Hao; Liu, Haoliang; Dmitrieva, Evgenia; Chen, Qiang; Ma, Ji; He, Piao; Liu, Pengcai; Popov, Alexey A.; Cao, Xiao-Yu; Wang, Xiao-Ye; Zou, Yingping; Narita, Akimitsu; Müllen, Klaus; Peng, Hongjian; Hu, Yunbin","Furan-containing double tetraoxa[7]helicene and its radical cation.","Chemical communications (Cambridge, England)","2020","56","96","15181","15184","10.1039/d0cc06970a","","","0.71073","MoKα","","0.0992","0.0621","","","0.1752","0.2043","","","","","","0.987","","","","has coordinates","259668","2020-12-09","01:50:22",""
"7127515","8.5959","0.0005","18.7821","0.0011","27.0537","0.0015","108.997","0.002","95.076","0.003","94.172","0.002","4089.7","0.4","298.15","","298.15","","","","","","","","","3","P -1","-P 1","2","","","","- C47 H48 O6 -","- C47 H48 O6 -","- C188 H192 O24 -","4","2","","Yao, Liangliang; Fang, Bo; Hu, Qiong; Lei, Yu; Bao, Li; Hu, Yimin","Phenanthrenes/dihydrophenanthrenes: the selectivity controlled by different benzynes and allenes.","Chemical communications (Cambridge, England)","2020","56","96","15185","15188","10.1039/d0cc06300b","","","0.71073","MoKα","","0.2677","0.0949","","","0.1888","0.2625","","","","","","1.008","","","","has coordinates,has disorder","259670","2020-12-09","01:51:55",""
"7127516","8.662","0.0003","11.8573","0.0005","17.3792","0.0007","96.695","0.002","99.325","0.002","108.28","0.002","1645.59","0.11","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C41 H36 O6 -","- C41 H36 O6 -","- C82 H72 O12 -","2","1","","Yao, Liangliang; Fang, Bo; Hu, Qiong; Lei, Yu; Bao, Li; Hu, Yimin","Phenanthrenes/dihydrophenanthrenes: the selectivity controlled by different benzynes and allenes.","Chemical communications (Cambridge, England)","2020","56","96","15185","15188","10.1039/d0cc06300b","","","0.71073","MoKα","","0.0802","0.0603","","","0.157","0.1754","","","","","","1.044","","","","has coordinates,has disorder","259670","2020-12-09","01:51:55",""
"7127517","9.1429","0.0008","10.3536","0.0009","16.2762","0.0014","90","","105.372","0.001","90","","1485.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Yao, Liangliang; Fang, Bo; Hu, Qiong; Lei, Yu; Bao, Li; Hu, Yimin","Phenanthrenes/dihydrophenanthrenes: the selectivity controlled by different benzynes and allenes.","Chemical communications (Cambridge, England)","2020","56","96","15185","15188","10.1039/d0cc06300b","","","0.71073","MoKα","","0.0529","0.0421","","","0.1205","0.1305","","","","","","1.038","","","","has coordinates","259670","2020-12-09","01:51:55",""
"7127520","24.841","0.006","18.316","0.004","10.897","0.005","90","","105.586","0.004","90","","4776","3","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C60 H57 Cu4 Mo12 N16 O50 P3 -","- C60 H50 Cu4 Mo12 N16 O50 P3 -","- C120 H100 Cu8 Mo24 N32 O100 P6 -","2","0.25","","Li, Shaobin; Tan, Xiaoguo; Yue, Ming; Zhang, Li; Chai, Dongfeng; Wang, Wendi; Pan, Hong; Fan, Linlin; Zhao, Chunyan","A polyoxometalate-encapsulated nanocage cluster organic framework built from {Cu<sub>4</sub>P<sub>2</sub>} units and its efficient bifunctional electrochemical performance.","Chemical communications (Cambridge, England)","2020","56","96","15177","15180","10.1039/d0cc06665f","","","0.71069","MoKα","","0.1046","0.0617","","","0.1834","0.217","","","","","","0.769","","","","has coordinates","259672","2020-12-09","01:53:16",""
"7127535","8.3459","0.0003","31.8448","0.001","18.0413","0.0006","90","","92.018","0.002","90","","4791.9","0.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H24 Cl N O3 S -","- C29.5 H24 Cl N O3 S -","- C236 H192 Cl8 N8 O24 S8 -","8","2","","De, Sukanya; Jash, Moumita; Chowdhury, Chinmay","Palladium(ii) catalysed cascade strategy for the synthesis of dibenzo[5,6:7,8]cycloocta[1,2-b]indol-10-ols/-10(15H)-ones: easy access to 1,3,5,7-cyclooctatetraenes (COTs).","Chemical communications (Cambridge, England)","2020","56","100","15659","15662","10.1039/d0cc06538b","","","1.54178","CuKα","","0.0949","0.0876","","","0.1861","0.1904","","","","","","1.222","","","","has coordinates","296876","2024-12-16","17:34:43",""
"7127536","17.1953","0.0003","11.2998","0.0003","23.4679","0.0005","90","","99.631","0.001","90","","4495.63","0.17","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H21 N O3 S -","- C29 H21 N O3 S -","- C232 H168 N8 O24 S8 -","8","1","","De, Sukanya; Jash, Moumita; Chowdhury, Chinmay","Palladium(ii) catalysed cascade strategy for the synthesis of dibenzo[5,6:7,8]cycloocta[1,2-b]indol-10-ols/-10(15H)-ones: easy access to 1,3,5,7-cyclooctatetraenes (COTs).","Chemical communications (Cambridge, England)","2020","56","100","15659","15662","10.1039/d0cc06538b","","","1.54178","CuKα","","0.0399","0.0394","","","0.0958","0.0962","","","","","","1.12","","","","has coordinates","260702","2021-01-07","04:56:47",""
"7127537","8.5406","0.0007","10.0271","0.0008","13.9349","0.0011","89.172","0.004","79.068","0.004","66.547","0.003","1072.43","0.15","116","2","116","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 N O2 S -","- C29 H21 N O2 S -","- C58 H42 N2 O4 S2 -","2","1","","De, Sukanya; Jash, Moumita; Chowdhury, Chinmay","Palladium(ii) catalysed cascade strategy for the synthesis of dibenzo[5,6:7,8]cycloocta[1,2-b]indol-10-ols/-10(15H)-ones: easy access to 1,3,5,7-cyclooctatetraenes (COTs).","Chemical communications (Cambridge, England)","2020","56","100","15659","15662","10.1039/d0cc06538b","","","1.54178","CuKα","","0.0745","0.0713","","","0.1868","0.1905","","","","","","1.058","","","","has coordinates","260702","2021-01-07","04:56:47",""
"7127538","12.6739","0.0009","16.317","0.003","12.1213","0.0013","90","","109.725","0.012","90","","2359.6","0.6","102","2","102","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 N O4 S -","- C30 H23 N O4 S -","- C120 H92 N4 O16 S4 -","4","1","","De, Sukanya; Jash, Moumita; Chowdhury, Chinmay","Palladium(ii) catalysed cascade strategy for the synthesis of dibenzo[5,6:7,8]cycloocta[1,2-b]indol-10-ols/-10(15H)-ones: easy access to 1,3,5,7-cyclooctatetraenes (COTs).","Chemical communications (Cambridge, England)","2020","56","100","15659","15662","10.1039/d0cc06538b","","","1.54178","CuKα","","0.0506","0.048","","","0.1155","0.1174","","","","","","1.079","","","","has coordinates","260702","2021-01-07","04:56:47",""
"7127539","8.748","0.003","14.05","0.005","22.585","0.008","97.243","0.009","100.218","0.005","97.968","0.009","2673","1.6","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 N O5 S -","- C32 H29 N O5 S -","- C128 H116 N4 O20 S4 -","4","2","","De, Sukanya; Jash, Moumita; Chowdhury, Chinmay","Palladium(ii) catalysed cascade strategy for the synthesis of dibenzo[5,6:7,8]cycloocta[1,2-b]indol-10-ols/-10(15H)-ones: easy access to 1,3,5,7-cyclooctatetraenes (COTs).","Chemical communications (Cambridge, England)","2020","56","100","15659","15662","10.1039/d0cc06538b","","","1.54178","CuKα","","0.0768","0.068","","","0.1607","0.1666","","","","","","1.079","","","","has coordinates","296876","2024-12-16","17:34:43",""
"7127590","8.4212","0.0008","14.1413","0.0016","13.5406","0.0013","90","","101.611","0.007","90","","1579.5","0.3","78","2","78","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 B Cl F N2 O2 -","- C17 H17 B Cl F N2 O2 -","- C68 H68 B4 Cl4 F4 N8 O8 -","4","1","","Ohtani, Shunsuke; Takeda, Yusuke; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki","Facile strategy for obtaining luminescent polymorphs based on the chirality of a boron-fused azomethine complex.","Chemical communications (Cambridge, England)","2020","56","97","15305","15308","10.1039/d0cc06383e","","","0.71075","MoKα","","0.0577","0.0507","","","0.1382","0.1432","","","","","","1.092","","","","has coordinates","259906","2020-12-16","01:45:39",""
"7127591","12.8397","0.0012","12.8397","0.0012","8.5551","0.0011","90","","90","","120","","1221.4","0.2","143","2","143","2","","","","","","","","7","P 32","P 32","145","","","","- C17 H17 B Cl F N2 O2 -","- C17 H17 B Cl F N2 O2 -","- C51 H51 B3 Cl3 F3 N6 O6 -","3","1","","Ohtani, Shunsuke; Takeda, Yusuke; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki","Facile strategy for obtaining luminescent polymorphs based on the chirality of a boron-fused azomethine complex.","Chemical communications (Cambridge, England)","2020","56","97","15305","15308","10.1039/d0cc06383e","","","0.71075","MoKα","","0.0386","0.0342","","","0.0853","0.0876","","","","","","1.008","","","","has coordinates","259906","2020-12-16","01:45:40",""
"7127599","6.9996","0.0008","10.3778","0.0012","17.063","0.002","91.762","0.001","99.022","0.001","105.266","0.001","1177.6","0.2","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C33 H24 -","- C33 H24 -","- C66 H48 -","2","1","","Wu, Li-Jun; Yang, Liang-Feng; Lv, Gui-Fen; Li, Jin-Heng","Divergent functionalization of terminal alkynes enabled alkynylative [5+1] benzannulation of 3-acetoxy-1,4-enynes.","Chemical communications (Cambridge, England)","2020","56","97","15329","15332","10.1039/d0cc06793h","","","0.71073","MoKα","","0.055","0.0388","","","0.0902","0.1003","","","","","","0.994","","","","has coordinates","259908","2020-12-16","01:48:46",""
"7127600","12.364","0.003","33.5","0.007","12.912","0.003","90","","97.29","0.03","90","","5305","2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C90.88 H116.1 Cl0.6 Ir0.6 Mn3 N12 O20.02 -","- C76 H68 Cl0.6 Ir0.6 Mn3 N12 O12 -","- C152 H136 Cl1.2 Ir1.2 Mn6 N24 O24 -","2","0.5","","Perlata, Ricardo A.; Huxley, Michael T.; Shi, Zhaolin; Zhang, Yue-Biao; Sumby, Christopher J.; Doonan, Christian J.","A metal-organic framework supported iridium catalyst for the gas phase hydrogenation of ethylene.","Chemical communications (Cambridge, England)","2020","56","97","15313","15316","10.1039/d0cc06058e","","","0.71073","Synchrotron","","0.1004","0.0924","","","0.3047","0.3129","","","","","","1.359","","","","has coordinates,has disorder","259910","2020-12-16","01:49:20",""
"7127601","5.5032","0.0006","14.7847","0.0017","21.373","0.002","90","","90","","90","","1739","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N O Se -","- C22 H17 N O Se -","- C88 H68 N4 O4 Se4 -","4","1","","Liu, Xiang; Wang, Yajun; Song, Dan; Wang, Yuhan; Cao, Hua","Electrochemical regioselective selenylation/oxidation of N-alkylisoquinolinium salts via double C(sp<sup>2</sup>)-H bond functionalization.","Chemical communications (Cambridge, England)","2020","56","97","15325","15328","10.1039/d0cc06778d","","x-ray","0.71073","MoKα","","0.0918","0.0555","","","0.1025","0.119","","","","","","1.011","","","","has coordinates","259911","2020-12-16","01:49:48",""
"7127602","4.698","0.01","17.77","0.01","7.328","0.012","90","","118.95","","90","","535.3","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B3 F2 O4 Rb -","- B3 F2 O4 Rb -","- B12 F8 O16 Rb4 -","4","1","","Lu, Zixiu; Zhang, Fangfang; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie","RbB<sub>3</sub>O<sub>4</sub>F<sub>2</sub>: a rubidium fluorooxoborate with an unprecedented [B<sub>3</sub>O<sub>5</sub>F<sub>2</sub>]<sup>3-</sup> functionalized unit and a large birefringence.","Chemical communications (Cambridge, England)","2020","56","97","15333","15336","10.1039/d0cc06851a","","","0.71073","MoKα","","0.0924","0.0524","","","0.0907","0.1037","","","","","","1.007","","","","has coordinates","259912","2020-12-16","01:50:10",""
"7127604","10.7856","0.0006","24.1392","0.0014","9.3144","0.0006","90","","94.959","0.002","90","","2416","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 S -","- C34 H20 S -","- C136 H80 S4 -","4","1","","Manikandan, Palani; Karunakaran, Jayachandran; Varathan, Elumalai; Schreckenbach, Georg; Mohanakrishnan, Arasambattu K.","Diels-Alder reaction of tetraarylcyclopentadienones with benzo[b]thiophene S,S-dioxides: an unprecedented de-oxygenation vs. sulfur dioxide extrusion.","Chemical communications (Cambridge, England)","2020","56","97","15317","15320","10.1039/d0cc05842d","","","0.71073","MoKα","","0.1137","0.0613","","","0.1645","0.2012","","","","","","1.031","","","","has coordinates","259914","2020-12-16","01:51:20",""
"7127605","10.417","0.0003","11.3442","0.0004","12.577","0.0004","108.867","0.002","105.293","0.003","99.814","0.004","1302.26","0.09","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","7,10-bis(4-methoxyphenyl)-8-phenylfluoranthene","","- C36 H26 O2 -","- C36 H26 O2 -","- C72 H52 O4 -","2","1","","Manikandan, Palani; Karunakaran, Jayachandran; Varathan, Elumalai; Schreckenbach, Georg; Mohanakrishnan, Arasambattu K.","Diels-Alder reaction of tetraarylcyclopentadienones with benzo[b]thiophene S,S-dioxides: an unprecedented de-oxygenation vs. sulfur dioxide extrusion.","Chemical communications (Cambridge, England)","2020","56","97","15317","15320","10.1039/d0cc05842d","","","0.71073","MoKα","","0.095","0.0466","","","0.1124","0.1427","","","","","","1.006","","","","has coordinates","259914","2020-12-16","01:51:21",""
"7127606","11.7855","0.0011","9.5702","0.0007","19.7443","0.0017","90","","96.996","0.004","90","","2210.4","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dithiophene","","- C30 H18 S2 -","- C30 H18 S2 -","- C120 H72 S8 -","4","1","","Manikandan, Palani; Karunakaran, Jayachandran; Varathan, Elumalai; Schreckenbach, Georg; Mohanakrishnan, Arasambattu K.","Diels-Alder reaction of tetraarylcyclopentadienones with benzo[b]thiophene S,S-dioxides: an unprecedented de-oxygenation vs. sulfur dioxide extrusion.","Chemical communications (Cambridge, England)","2020","56","97","15317","15320","10.1039/d0cc05842d","","","0.71073","MoKα","","0.122","0.0546","","","0.1384","0.1941","","","","","","1.031","","","","has coordinates,has disorder","259914","2020-12-16","01:51:21",""
"7127647","9.6343","0.0002","19.0413","0.0005","19.4763","0.0005","83.018","0.002","89.376","0.002","82.19","0.002","3513.47","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Br N O2 -","- C20 H20 Br N O2 -","- C160 H160 Br8 N8 O16 -","8","4","","Göbel, Dominik; Rusch, Pascal; Duvinage, Daniel; Bigall, Nadja C.; Nachtsheim, Boris J.","Emission color-tunable oxazol(in)yl-substituted excited-state intramolecular proton transfer (ESIPT)-based luminophores.","Chemical communications (Cambridge, England)","2020","56","98","15430","15433","10.1039/d0cc05780k","","x-ray","0.71073","MoKα","","0.0815","0.0698","","","0.1465","0.151","","","","","","1.24","","","","has coordinates","259977","2020-12-19","01:56:37",""
"7127648","12.6799","0.0006","6.6733","0.0003","15.0742","0.0007","90","","109.16","0.002","90","","1204.87","0.1","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C27 H19 Br Cl3 N O2 -","- C27 H19 Br Cl3 N O2 -","- C54 H38 Br2 Cl6 N2 O4 -","2","0.5","","Göbel, Dominik; Rusch, Pascal; Duvinage, Daniel; Bigall, Nadja C.; Nachtsheim, Boris J.","Emission color-tunable oxazol(in)yl-substituted excited-state intramolecular proton transfer (ESIPT)-based luminophores.","Chemical communications (Cambridge, England)","2020","56","98","15430","15433","10.1039/d0cc05780k","","","0.71073","MoKα","","0.0512","0.0448","","","0.1172","0.1209","","","","","","1.119","","","","has coordinates","259977","2020-12-19","01:56:38",""
"7127649","10.1266","0.0004","21.0008","0.0009","10.2483","0.0004","90","","90","","90","","2179.47","0.15","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H28 N2 O3 -","- C25 H28 N2 O3 -","- C100 H112 N8 O12 -","4","1","","Göbel, Dominik; Rusch, Pascal; Duvinage, Daniel; Bigall, Nadja C.; Nachtsheim, Boris J.","Emission color-tunable oxazol(in)yl-substituted excited-state intramolecular proton transfer (ESIPT)-based luminophores.","Chemical communications (Cambridge, England)","2020","56","98","15430","15433","10.1039/d0cc05780k","","x-ray","0.71073","MoKα","","0.0496","0.0414","","","0.0932","0.0968","","","","","","1.03","","","","has coordinates","259977","2020-12-19","01:56:38",""
"7127650","8.5848","0.0003","6.8902","0.0003","15.8079","0.0006","90","","98.98","0.001","90","","923.59","0.06","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C22 H16 Br N O S -","- C22 H16 Br N O S -","- C44 H32 Br2 N2 O2 S2 -","2","0.5","","Göbel, Dominik; Rusch, Pascal; Duvinage, Daniel; Bigall, Nadja C.; Nachtsheim, Boris J.","Emission color-tunable oxazol(in)yl-substituted excited-state intramolecular proton transfer (ESIPT)-based luminophores.","Chemical communications (Cambridge, England)","2020","56","98","15430","15433","10.1039/d0cc05780k","","x-ray","0.71073","MoKα","","0.0277","0.0243","","","0.0602","0.0618","","","","","","1.076","","","","has coordinates","259977","2020-12-19","01:56:38",""
"7127651","30.762","0.003","10.8014","0.0011","11.0953","0.0011","90","","90","","90","","3686.7","0.6","100","","100","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C22 H16 Br N O Se -","- C22 H16 Br N O Se -","- C176 H128 Br8 N8 O8 Se8 -","8","1","","Göbel, Dominik; Rusch, Pascal; Duvinage, Daniel; Bigall, Nadja C.; Nachtsheim, Boris J.","Emission color-tunable oxazol(in)yl-substituted excited-state intramolecular proton transfer (ESIPT)-based luminophores.","Chemical communications (Cambridge, England)","2020","56","98","15430","15433","10.1039/d0cc05780k","","x-ray","0.71073","MoKα","","0.0374","0.0274","","","0.0562","0.0593","","","","","","1.055","","","","has coordinates","259977","2020-12-19","01:56:38",""
"7127652","8.7249","0.0003","9.7643","0.0003","13.4767","0.0005","90.141","0.001","106.286","0.001","112.456","0.001","1010.68","0.06","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Br Cl2 N O2 -","- C23 H18 Br Cl2 N O2 -","- C46 H36 Br2 Cl4 N2 O4 -","2","1","","Göbel, Dominik; Rusch, Pascal; Duvinage, Daniel; Bigall, Nadja C.; Nachtsheim, Boris J.","Emission color-tunable oxazol(in)yl-substituted excited-state intramolecular proton transfer (ESIPT)-based luminophores.","Chemical communications (Cambridge, England)","2020","56","98","15430","15433","10.1039/d0cc05780k","","x-ray","0.71073","MoKα","","0.0303","0.0247","","","0.0539","0.056","","","","","","1.029","","","","has coordinates,has disorder","259977","2020-12-19","01:56:38",""
"7127653","20.58","0.0006","24.0995","0.0007","11.4414","0.0003","90","","90","","90","","5674.6","0.3","100","","100","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C31 H40 N2 O4 -","- C31 H40 N2 O4 -","- C248 H320 N16 O32 -","8","1","","Göbel, Dominik; Rusch, Pascal; Duvinage, Daniel; Bigall, Nadja C.; Nachtsheim, Boris J.","Emission color-tunable oxazol(in)yl-substituted excited-state intramolecular proton transfer (ESIPT)-based luminophores.","Chemical communications (Cambridge, England)","2020","56","98","15430","15433","10.1039/d0cc05780k","","x-ray","0.71073","MoKα","","0.0592","0.0425","","","0.096","0.1052","","","","","","1.029","","","","has coordinates,has disorder","259977","2020-12-19","01:56:38",""
"7127688","9.7754","0.0003","12.5427","0.0004","22.3714","0.0007","90","","96.082","0.003","90","","2727.52","0.15","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","UPC-H7","","- C22 H36 N4 O6 S2 -","- C22 H36 N4 O6 S2 -","- C88 H144 N16 O24 S8 -","4","1","","Wang, Yijie; Zhang, Minghui; Yang, Qianqian; Yin, Jianbo; Liu, Di; Shang, Yanxue; Kang, Zixi; Wang, Rongming; Sun, Daofeng; Jiang, Jianzhuang","Single-crystal-to-single-crystal transformation and proton conductivity of three hydrogen-bonded organic frameworks.","Chemical communications (Cambridge, England)","2020","56","99","15529","15532","10.1039/d0cc05402j","","","1.54178","CuKα","","0.0791","0.0693","","","0.1946","0.1996","","","","","","1.085","","","","has coordinates","260097","2020-12-23","01:51:35",""
"7127689","9.6616","0.0003","12.3127","0.0004","22.5851","0.0009","90","","97.458","0.004","90","","2664","0.16","150","3","150","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","UPC-H8","","- C16 H0 N11 O6 S2 -","- C22 H36 N4 O6 S2 -","- C88 H144 N16 O24 S8 -","4","1","","Wang, Yijie; Zhang, Minghui; Yang, Qianqian; Yin, Jianbo; Liu, Di; Shang, Yanxue; Kang, Zixi; Wang, Rongming; Sun, Daofeng; Jiang, Jianzhuang","Single-crystal-to-single-crystal transformation and proton conductivity of three hydrogen-bonded organic frameworks.","Chemical communications (Cambridge, England)","2020","56","99","15529","15532","10.1039/d0cc05402j","","x-ray","1.54184","CuKα","","0.0929","0.0715","","","0.1751","0.1831","","","","","","1.2","","","","has coordinates","260097","2020-12-23","01:51:35",""
"7127690","11.2723","0.0018","18.109","0.003","14.821","0.003","90","","110.51","0.02","90","","2833.6","0.9","150","3","150","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","UPC-H9","","- C22 H44 N4 O10 S2 -","- C22 H40 N4 O8 S2 -","- C88 H160 N16 O32 S8 -","4","1","","Wang, Yijie; Zhang, Minghui; Yang, Qianqian; Yin, Jianbo; Liu, Di; Shang, Yanxue; Kang, Zixi; Wang, Rongming; Sun, Daofeng; Jiang, Jianzhuang","Single-crystal-to-single-crystal transformation and proton conductivity of three hydrogen-bonded organic frameworks.","Chemical communications (Cambridge, England)","2020","56","99","15529","15532","10.1039/d0cc05402j","","x-ray","1.54184","CuKα","","0.3541","0.1129","","","0.2491","0.3817","","","","","","0.914","","","","has coordinates","260097","2020-12-23","01:51:35",""
"7127718","11.7689","0.0004","15.1355","0.0006","13.096","0.0005","90","","111.37","0.004","90","","2172.38","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cl O P -","- C24 H28 Cl O P -","- C96 H112 Cl4 O4 P4 -","4","1","","Niu, Yuan; Qi, Zhichao; Lou, Qinxin; Bai, Pengbo; Yang, Shangdong","Copper-catalyzed arylation of polycyclic aromatic hydrocarbons by the P[double bond, length as m-dash]O group.","Chemical communications (Cambridge, England)","2020","56","93","14721","14724","10.1039/d0cc06639g","","x-ray","1.54184","CuKα","","0.0687","0.0477","","","0.1175","0.1267","","","","","","1.034","","","","has coordinates","260457","2021-01-04","17:44:10",""
"7127719","16.7812","0.0005","12.2467","0.0004","6.9816","0.0002","90","","90","","90","","1434.82","0.08","300","0.11","300","0.11","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C6 H16 Cl2 N12 O -","- C6 H16 Cl2 N12 O -","- C24 H64 Cl8 N48 O4 -","4","0.5","","Liu, Lehui; Hu, Chun-Li; Bai, Zhiyong; Yuan, Feifei; Huang, Yisheng; Zhang, Lizhen; Lin, Zhoubin","2(C<sub>3</sub>H<sub>7</sub>N<sub>6</sub>)<sup>+</sup>·2Cl<sup>-</sup>·H<sub>2</sub>O: an ultraviolet nonlinear optical crystal with large birefrigence and strong second-harmonic generation.","Chemical communications (Cambridge, England)","2020","56","93","14657","14660","10.1039/d0cc06558g","","x-ray","1.3405","GaKα","","0.0501","0.0394","","","0.086","0.0907","","","","","","1.025","","","","has coordinates","260458","2021-01-04","17:44:32",""
"7127720","12.027","0.003","12.23","0.003","33.79","0.009","83.652","0.004","86.895","0.004","62.035","0.003","4362.9","1.9","200","2","200","2","","","","","","","","6","P -1","-P 1","2","2 in manuscript","","","- C23 H18 Au O P S3 -","- C23 H18 Au O P S3 -","- C184 H144 Au8 O8 P8 S24 -","8","4","","Roesch, Saskia; Fermi, Valentina; Rominger, Frank; Herold-Mende, Christel; Romero-Nieto, Carlos","Gold(i) complexes based on six-membered phosphorus heterocycles as bio-active molecules against brain cancer.","Chemical communications (Cambridge, England)","2020","56","93","14593","14596","10.1039/d0cc05761d","","","0.71073","MoKα","","0.148","0.0794","","","0.1625","0.1791","","","","","","1.05","","","","has coordinates","260459","2021-01-04","17:45:07",""
"7127721","12.7527","0.0003","18.7996","0.0004","16.53","0.0004","90","","108.271","0.0007","90","","3763.2","0.15","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3 in manuscript","","","- C21 H13 Au N P S2 -","- C21 H13 Au N P S2 -","- C168 H104 Au8 N8 P8 S16 -","8","2","","Roesch, Saskia; Fermi, Valentina; Rominger, Frank; Herold-Mende, Christel; Romero-Nieto, Carlos","Gold(i) complexes based on six-membered phosphorus heterocycles as bio-active molecules against brain cancer.","Chemical communications (Cambridge, England)","2020","56","93","14593","14596","10.1039/d0cc05761d","","","0.71073","MoKα","","0.0643","0.0386","","","0.0867","0.0992","","","","","","1.016","","","","has coordinates,has disorder","260459","2021-01-04","17:45:08",""
"7127722","15.377","0.0004","30.6356","0.0007","28.8107","0.0016","90","","98.31","0.004","90","","13429.7","0.9","150.01","0.1","150.01","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C122 H118 Ag3 B2 N13 O7 P6 W2 -","- C122 H118 Ag3 B2 N13 O7 P6 W2 -","- C488 H472 Ag12 B8 N52 O28 P24 W8 -","4","1","","Manzano, Richard A.; Hill, Anthony F.; Georgelin, Rosemary L.","Tetrel and pnictogen functionalised propargylidynes.","Chemical communications (Cambridge, England)","2020","56","93","14597","14600","10.1039/d0cc06196d","","x-ray","1.54184","CuKα","","0.1557","0.104","","","0.2215","0.2481","","","","","","1.031","","","","has coordinates","260460","2021-01-04","17:46:33",""
"7127723","14.6458","0.0002","13.04801","0.00014","19.07","0.0003","90","","102.382","0.0013","90","","3559.48","0.09","170","30","170","30","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 B2 Cl2 N6 O2 P W -","- C33 H37 B2 Cl2 N6 O2 P W -","- C132 H148 B8 Cl8 N24 O8 P4 W4 -","4","1","","Manzano, Richard A.; Hill, Anthony F.; Georgelin, Rosemary L.","Tetrel and pnictogen functionalised propargylidynes.","Chemical communications (Cambridge, England)","2020","56","93","14597","14600","10.1039/d0cc06196d","","x-ray","0.71073","MoKα","","0.0285","0.0232","","","0.0537","0.0568","","","","","","1.042","","","","has coordinates","260460","2021-01-04","17:46:33",""
"7127724","19.9401","0.0007","5.3894","0.0002","32.9348","0.0013","90","","101.506","0.002","90","","3468.2","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H21 N O5 S -","- C16 H17 N O5 S -","- C128 H136 N8 O40 S8 -","8","1","","Zhang, Chun; Huang, Jiapian; Ye, Shengqing; Tang, Jie; Wu, Jie","A metal-free reaction of sulfur dioxide, cyclopropanols and electron-deficient olefins.","Chemical communications (Cambridge, England)","2020","56","89","13852","13855","10.1039/d0cc06465c","","","1.34138","GaKα","","0.0638","0.0622","","","0.2052","0.2091","","","","","","1.092","","","","has coordinates","260461","2021-01-04","17:57:13",""
"7127725","14.6214","0.0011","28.2561","0.0017","14.335","0.0009","90","","93.955","0.006","90","","5908.3","0.7","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C106 H146 O20 Ti4 -","- C106 H146 O20 Ti4 -","- C212 H292 O40 Ti8 -","2","0.5","","Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao","Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water.","Chemical communications (Cambridge, England)","2020","56","90","14035","14038","10.1039/d0cc05336h","","x-ray","0.71073","MoKα","","0.1839","0.1038","","","0.2251","0.258","","","","","","1.014","","","","has coordinates,has disorder","260462","2021-01-04","18:00:55",""
"7127726","14.2318","0.0011","14.6532","0.0012","18.081","0.0015","103.02","0.006","102.821","0.006","107.509","0.005","3328.9","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H136 N4 O22 Ti4 -","- C104 H136 N4 O22 Ti4 -","- C104 H136 N4 O22 Ti4 -","1","0.5","","Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao","Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water.","Chemical communications (Cambridge, England)","2020","56","90","14035","14038","10.1039/d0cc05336h","","x-ray","0.71073","MoKα","","0.1552","0.0666","","","0.1571","0.1774","","","","","","0.883","","","","has coordinates,has disorder","260462","2021-01-04","18:00:56",""
"7127727","18.742","0.002","15.6878","0.0019","24.515","0.003","90","","106.32","0.007","90","","6917.5","1.4","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C136 H174 N6 O26 Ti6 -","- C136 H174 N6 O26 Ti6 -","- C272 H348 N12 O52 Ti12 -","2","0.5","","Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao","Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water.","Chemical communications (Cambridge, England)","2020","56","90","14035","14038","10.1039/d0cc05336h","","x-ray","0.71073","MoKα","","0.1102","0.0551","","","0.1394","0.1762","","","","","","1.035","","","","has coordinates,has disorder","260462","2021-01-04","18:00:56",""
"7127728","18.124","0.002","15.607","0.002","25.066","0.003","90","","105.645","0.003","90","","6827.5","1.4","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C137 H169 O26 Ti6 -","- C137 H169 O26 Ti6 -","- C274 H338 O52 Ti12 -","2","0.5","","Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao","Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water.","Chemical communications (Cambridge, England)","2020","56","90","14035","14038","10.1039/d0cc05336h","","x-ray","0.71073","MoKα","","0.2189","0.0756","","","0.1228","0.1527","","","","","","0.873","","","","has coordinates,has disorder","260462","2021-01-04","18:00:56",""
"7127729","14.4277","0.0006","14.608","0.0005","17.6599","0.0007","82.875","0.003","72.447","0.004","75.012","0.004","3423.7","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C128 H188 N8 O26 Ti4 -","- C128 H188 N8 O26 Ti4 -","- C128 H188 N8 O26 Ti4 -","1","0.5","","Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao","Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water.","Chemical communications (Cambridge, England)","2020","56","90","14035","14038","10.1039/d0cc05336h","","x-ray","0.71073","MoKα","","0.0969","0.0649","","","0.1933","0.2115","","","","","","1.061","","","","has coordinates,has disorder","260462","2021-01-04","18:00:56",""
"7127730","26.9642","0.0007","24.087","0.0007","23.819","0.0007","90","","94.28","0.002","90","","15427","0.8","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C144 H172 Br4 N8 O20 Ti4 -","- C144 H172 Br4 N8 O20 Ti4 -","- C576 H688 Br16 N32 O80 Ti16 -","4","0.5","","Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao","Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water.","Chemical communications (Cambridge, England)","2020","56","90","14035","14038","10.1039/d0cc05336h","","x-ray","0.71073","MoKα","","0.1042","0.0696","","","0.2038","0.2236","","","","","","1.122","","","","has coordinates,has disorder","260462","2021-01-04","18:00:56",""
"7127731","15.419","0.005","19.356","0.006","20.165","0.007","84.214","0.019","70.821","0.018","86.94","0.02","5654","3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C95 H150 O27.52 Ti6 -","- C95 H150 O27.518 Ti6 -","- C190 H300 O55.036 Ti12 -","2","1","","Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao","Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water.","Chemical communications (Cambridge, England)","2020","56","90","14035","14038","10.1039/d0cc05336h","","x-ray","0.71073","MoKα","","0.236","0.1047","","","0.2495","0.2953","","","","","","0.95","","","","has coordinates,has disorder","260462","2021-01-04","18:00:56",""
"7127732","17.654","0.0007","15.3326","0.0005","24.8024","0.0011","90","","105.996","0.001","90","","6453.6","0.4","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C128 H164 O30 Ti6 -","- C128 H164 O30 Ti6 -","- C256 H328 O60 Ti12 -","2","0.5","","Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao","Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water.","Chemical communications (Cambridge, England)","2020","56","90","14035","14038","10.1039/d0cc05336h","","x-ray","0.71073","MoKα","","0.1107","0.0676","","","0.1458","0.1664","","","","","","1.056","","","","has coordinates,has disorder","260462","2021-01-04","18:00:56",""
"7127733","21.3911","0.0002","25.7936","0.0003","33.0748","0.0004","90","","99.423","0.001","90","","18002.9","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C151 H225 O34 Ti6 -","- C151 H225 O34 Ti6 -","- C604 H900 O136 Ti24 -","4","1","","Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao","Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water.","Chemical communications (Cambridge, England)","2020","56","90","14035","14038","10.1039/d0cc05336h","","x-ray","1.54184","CuKα","","0.0928","0.0655","","","0.174","0.1915","","","","","","1.041","","","","has coordinates,has disorder","260462","2021-01-04","18:00:56",""
"7127734","14.966","0.0003","15.4941","0.0003","20.8678","0.0004","98.6889","0.0017","110.598","0.0017","100.033","0.0016","4340.33","0.16","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C130 H164 Br12 O46 Ti10 -","- C130 H164 Br12 O46 Ti10 -","- C130 H164 Br12 O46 Ti10 -","1","0.5","","Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao","Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water.","Chemical communications (Cambridge, England)","2020","56","90","14035","14038","10.1039/d0cc05336h","","x-ray","1.54184","CuKα","","0.0833","0.0655","","","0.1841","0.2014","","","","","","1.026","","","","has coordinates,has disorder","260462","2021-01-04","18:00:59",""
"7127735","17.6619","0.0009","18.0164","0.0005","21.2467","0.0009","68.017","0.003","69.349","0.005","61.753","0.004","5393.7","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C196 H158 F60 O46 Ti10 -","- C196 H158 F60 O46 Ti10 -","- C196 H158 F60 O46 Ti10 -","1","0.5","","Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao","Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water.","Chemical communications (Cambridge, England)","2020","56","90","14035","14038","10.1039/d0cc05336h","","x-ray","1.54184","MoKα","","0.1507","0.0953","","","0.2603","0.305","","","","","","1.016","","","","has coordinates,has disorder","260462","2021-01-04","18:01:02",""
"7127736","23.6231","0.0004","13.3113","0.0001","30.4842","0.0005","90","","105.741","0.002","90","","9226.4","0.2","123","0.1","123","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91 H130 N6 Ni P8 Si2 -","- C91 H130 N6 Ni P8 Si2 -","- C364 H520 N24 Ni4 P32 Si8 -","4","1","","Ziegler, Christoph G. P.; Taube, Clemens; Kelly, John A.; Hierlmeier, Gabriele; Uttendorfer, Maria; Weigand, Jan J.; Wolf, Robert","An unusual Ni<sub>2</sub>Si<sub>2</sub>P<sub>8</sub> cluster formed by complexation and thermolysis.","Chemical communications (Cambridge, England)","2020","56","90","14071","14074","10.1039/d0cc05365a","","x-ray","1.54184","CuKα","","0.0397","0.0334","","","0.0816","0.0854","","","","","","1.015","","","","has coordinates,has disorder","260463","2021-01-04","18:04:08",""
"7127737","17.4813","0.0003","22.9979","0.0003","22.0196","0.0003","90","","97.889","0.002","90","","8768.8","0.2","123","0.1","123","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C85 H118 N6 Ni P8 Si2 -","- C85 H118 N6 Ni P8 Si2 -","- C340 H472 N24 Ni4 P32 Si8 -","4","1","","Ziegler, Christoph G. P.; Taube, Clemens; Kelly, John A.; Hierlmeier, Gabriele; Uttendorfer, Maria; Weigand, Jan J.; Wolf, Robert","An unusual Ni<sub>2</sub>Si<sub>2</sub>P<sub>8</sub> cluster formed by complexation and thermolysis.","Chemical communications (Cambridge, England)","2020","56","90","14071","14074","10.1039/d0cc05365a","","x-ray","1.54184","CuKα","","0.0518","0.039","","","0.0939","0.1021","","","","","","1.018","","","","has coordinates,has disorder","260463","2021-01-04","18:04:15",""
"7127738","17.4645","0.0003","15.4359","0.0003","42.649","0.0006","90","","90","","90","","11497.3","0.3","123","0.1","123","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H76 N4 Ni P4 Si -","- C56 H76 N4 Ni P4 Si -","- C448 H608 N32 Ni8 P32 Si8 -","8","1","","Ziegler, Christoph G. P.; Taube, Clemens; Kelly, John A.; Hierlmeier, Gabriele; Uttendorfer, Maria; Weigand, Jan J.; Wolf, Robert","An unusual Ni<sub>2</sub>Si<sub>2</sub>P<sub>8</sub> cluster formed by complexation and thermolysis.","Chemical communications (Cambridge, England)","2020","56","90","14071","14074","10.1039/d0cc05365a","","x-ray","1.54184","CuKα","","0.0759","0.0664","","","0.1627","0.1681","","","","","","1.137","","","","has coordinates,has disorder","260463","2021-01-04","18:04:15",""
"7127739","23.3638","0.0005","16.0951","0.0003","27.7549","0.0006","90","","107.229","0.002","90","","9968.7","0.4","123.01","0.1","123.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C85 H116 N6 Ni2 P8 Si2 -","- C85 H116 N6 Ni2 P8 Si2 -","- C340 H464 N24 Ni8 P32 Si8 -","4","1","","Ziegler, Christoph G. P.; Taube, Clemens; Kelly, John A.; Hierlmeier, Gabriele; Uttendorfer, Maria; Weigand, Jan J.; Wolf, Robert","An unusual Ni<sub>2</sub>Si<sub>2</sub>P<sub>8</sub> cluster formed by complexation and thermolysis.","Chemical communications (Cambridge, England)","2020","56","90","14071","14074","10.1039/d0cc05365a","","x-ray","1.54184","CuKα","","0.0533","0.0446","","","0.1148","0.1215","","","","","","1.028","","","","has coordinates,has disorder","260463","2021-01-04","18:04:16",""
"7127740","9.1488","0.0002","17.223","0.0004","25.5541","0.0006","74.736","0.002","86.924","0.002","89.597","0.002","3878.81","0.16","101","2","101","2","","","","","","","","6","P -1","-P 1","2","YP bpyLAlCl","","","- C39.5 H49 Al Cl4 N2 O2 -","- C39.5 H49 Al Cl4 N2 O2 -","- C158 H196 Al4 Cl16 N8 O8 -","4","2","","Popowski, Yanay; Moreno, Juan J.; Nichols, Asa W.; Hooe, Shelby L.; Bouchey, Caitlin J.; Rath, Nigam P.; Machan, Charles W.; Tolman, William B.","Mechanistic insight into initiation and regioselectivity in the copolymerization of epoxides and anhydrides by Al complexes.","Chemical communications (Cambridge, England)","2020","56","90","14027","14030","10.1039/d0cc05652a","","","1.54178","CuKα","","0.1112","0.0789","","","0.1941","0.2291","","","","","","1.057","","","","has coordinates","295862","2024-11-09","12:08:11",""
"7127741","13.562","0.0018","13.8874","0.0016","15.489","0.003","99.761","0.01","94.142","0.011","108.246","0.011","2705.8","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","YP_bpyLAloCPMAOiPr","","","- C52 H63 Al Cl6 N2 O6 -","- C52 H63 Al Cl6 N2 O6 -","- C104 H126 Al2 Cl12 N4 O12 -","2","1","","Popowski, Yanay; Moreno, Juan J.; Nichols, Asa W.; Hooe, Shelby L.; Bouchey, Caitlin J.; Rath, Nigam P.; Machan, Charles W.; Tolman, William B.","Mechanistic insight into initiation and regioselectivity in the copolymerization of epoxides and anhydrides by Al complexes.","Chemical communications (Cambridge, England)","2020","56","90","14027","14030","10.1039/d0cc05652a","","","1.54178","CuKα","","0.2895","0.1583","","","0.3909","0.4757","","","","","","1.076","","","","has coordinates","260464","2021-01-04","18:06:01",""
"7127742","22.6444","0.0012","30.8757","0.0016","21.0423","0.0013","90","","90","","90","","14712","1.4","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","YP salphLAl(oCPCA-OiPr)","","","- C135 H175 Al3 N6 O15 -","- C135 H175 Al3 N6 O15 -","- C540 H700 Al12 N24 O60 -","4","0.5","","Popowski, Yanay; Moreno, Juan J.; Nichols, Asa W.; Hooe, Shelby L.; Bouchey, Caitlin J.; Rath, Nigam P.; Machan, Charles W.; Tolman, William B.","Mechanistic insight into initiation and regioselectivity in the copolymerization of epoxides and anhydrides by Al complexes.","Chemical communications (Cambridge, England)","2020","56","90","14027","14030","10.1039/d0cc05652a","","","1.54178","CuKα","","0.0783","0.0656","","","0.1654","0.1755","","","","","","1.041","","","","has coordinates,has disorder","260464","2021-01-04","18:06:01",""
"7127743","22.7869","0.0007","30.5983","0.0009","21.2437","0.0007","90","","90","","90","","14812","0.8","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","YP salphLAl(oCHCA-OiPr)","","","- C137 H179 Al3 N6 O15 -","- C137 H179 Al3 N6 O15 -","- C548 H716 Al12 N24 O60 -","4","0.5","","Popowski, Yanay; Moreno, Juan J.; Nichols, Asa W.; Hooe, Shelby L.; Bouchey, Caitlin J.; Rath, Nigam P.; Machan, Charles W.; Tolman, William B.","Mechanistic insight into initiation and regioselectivity in the copolymerization of epoxides and anhydrides by Al complexes.","Chemical communications (Cambridge, England)","2020","56","90","14027","14030","10.1039/d0cc05652a","","","1.54178","CuKα","","0.117","0.085","","","0.2174","0.2518","","","","","","1.048","","","","has coordinates,has disorder","260464","2021-01-04","18:06:01",""
"7127744","11.5103","0.0004","4.2412","0.0001","19.5894","0.0007","90","","90.446","0.003","90","","956.28","0.05","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 Cu2 I2 N2 -","- C5 H6 Cu2 I2 N2 -","- C20 H24 Cu8 I8 N8 -","4","1","","Wu, Ting; Jiang, Shenlong; Samanta, Pabitra Narayan; Xie, Yangbin; Li, Jipeng; Wang, Xiaoling; Devashis, Majumdar; Gu, Xiangwei; Wang, Yusong; Huang, Wei; Zhang, Qun; Leszczynski, Jerzy; Wu, Dayu","Negative thermal quenching of photoluminescence in a copper-organic framework emitter.","Chemical communications (Cambridge, England)","2020","56","80","12057","12060","10.1039/d0cc04788k","","","0.71073","MoKα","","0.0417","0.0381","","","0.1035","0.1061","","","","","","1.06","","","","has coordinates","260465","2021-01-04","18:06:41",""
"7127745","11.5218","0.0004","4.2497","0.0002","19.6222","0.0008","90","","90.458","0.004","90","","960.75","0.07","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 Cu2 I2 N2 -","- C5 H6 Cu2 I2 N2 -","- C20 H24 Cu8 I8 N8 -","4","1","","Wu, Ting; Jiang, Shenlong; Samanta, Pabitra Narayan; Xie, Yangbin; Li, Jipeng; Wang, Xiaoling; Devashis, Majumdar; Gu, Xiangwei; Wang, Yusong; Huang, Wei; Zhang, Qun; Leszczynski, Jerzy; Wu, Dayu","Negative thermal quenching of photoluminescence in a copper-organic framework emitter.","Chemical communications (Cambridge, England)","2020","56","80","12057","12060","10.1039/d0cc04788k","","","0.71073","MoKα","","0.0647","0.059","","","0.1513","0.1567","","","","","","1.051","","","","has coordinates","260465","2021-01-04","18:06:41",""
"7127746","11.5363","0.0006","4.2584","0.0002","19.6624","0.0012","90","","90.49","0.005","90","","965.9","0.09","260","2","260","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 Cu2 I2 N2 -","- C5 H6 Cu2 I2 N2 -","- C20 H24 Cu8 I8 N8 -","4","1","","Wu, Ting; Jiang, Shenlong; Samanta, Pabitra Narayan; Xie, Yangbin; Li, Jipeng; Wang, Xiaoling; Devashis, Majumdar; Gu, Xiangwei; Wang, Yusong; Huang, Wei; Zhang, Qun; Leszczynski, Jerzy; Wu, Dayu","Negative thermal quenching of photoluminescence in a copper-organic framework emitter.","Chemical communications (Cambridge, England)","2020","56","80","12057","12060","10.1039/d0cc04788k","","","0.71073","MoKα","","0.0968","0.0828","","","0.2266","0.2506","","","","","","1.014","","","","has coordinates","260465","2021-01-04","18:06:41",""
"7127747","19.294","0.004","19.413","0.004","23.421","0.005","72.2","0.03","86.15","0.03","65.93","0.03","7610","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","CBoc","","- C120 H100 Cu4 N8 O28 -","- C120 H100 Cu4 N8 O28 -","- C240 H200 Cu8 N16 O56 -","2","1","","Schneider, Matthew L.; Linder-Patton, Oliver M; Bloch, Witold M.","A covalent deprotection strategy for assembling supramolecular coordination polymers from metal-organic cages.","Chemical communications (Cambridge, England)","2020","56","85","12969","12972","10.1039/d0cc05349j","","","0.71073","Synchrotron","","0.0857","0.0608","","","0.1758","0.1888","","","","","","1.067","","","","has coordinates","260466","2021-01-04","18:14:28",""
"7127748","16.005","0.003","17.777","0.004","20.441","0.004","104.91","0.03","109.45","0.03","104.86","0.03","4912","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","CFmoc","","- C168 H124 Cu4 N12 O28 -","- C168 H124 Cu4 N12 O28 -","- C168 H124 Cu4 N12 O28 -","1","0.5","","Schneider, Matthew L.; Linder-Patton, Oliver M; Bloch, Witold M.","A covalent deprotection strategy for assembling supramolecular coordination polymers from metal-organic cages.","Chemical communications (Cambridge, England)","2020","56","85","12969","12972","10.1039/d0cc05349j","","","0.71073","Synchrotron","","0.0735","0.0655","","","0.209","0.217","","","","","","1.072","","","","has coordinates","260466","2021-01-04","18:14:29",""
"7127749","5.6244","0.0001","6.1097","0.0001","15.9088","0.0003","89.883","0.002","81.215","0.002","76.999","0.002","526.121","0.017","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 K2 N2 O11 S2 -","- C18 H14 K2 N2 O11 S2 -","- C18 H14 K2 N2 O11 S2 -","1","0.5","","Ke, Hua; Hu, Fen; Meng, Lingyi; Chen, Qi-Hua; Lai, Qian-Sheng; Li, Ze-Chen; Huang, Ze-Long; Liao, Jian-Zhen; Qiu, Jian-Ding; Lu, Can-Zhong","Ultrastable radical-doped coordination compounds with antimicrobial activity against antibiotic-resistant bacteria.","Chemical communications (Cambridge, England)","2020","56","92","14353","14356","10.1039/d0cc06379g","","x-ray","1.54184","CuKα","","0.0449","0.0389","","","0.1035","0.1166","","","","","","1.153","","","","has coordinates","260467","2021-01-04","18:15:08",""
"7127750","8.8177","0.0003","28.7454","0.0007","8.9688","0.0003","90","","108.766","0.003","90","","2152.46","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Ca N2 O12 S2 -","- C18 H16 Ca N2 O12 S2 -","- C72 H64 Ca4 N8 O48 S8 -","4","1","","Ke, Hua; Hu, Fen; Meng, Lingyi; Chen, Qi-Hua; Lai, Qian-Sheng; Li, Ze-Chen; Huang, Ze-Long; Liao, Jian-Zhen; Qiu, Jian-Ding; Lu, Can-Zhong","Ultrastable radical-doped coordination compounds with antimicrobial activity against antibiotic-resistant bacteria.","Chemical communications (Cambridge, England)","2020","56","92","14353","14356","10.1039/d0cc06379g","","x-ray","1.54184","CuKα","","0.068","0.0583","","","0.155","0.1681","","","","","","1.072","","","","has coordinates","260467","2021-01-04","18:15:08",""
"7127751","12.1513","0.0002","17.9898","0.0002","19.21888","0.00013","77.5748","0.0008","80.99","0.001","89.3233","0.0012","4051.17","0.09","160","0.1","160","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C160 H184 B4 Cl4 N24 O8 Pt4 Zn -","- C160 H184 B4 Cl4 N24 O8 Pt4 Zn -","- C160 H184 B4 Cl4 N24 O8 Pt4 Zn -","1","0.5","","Rubbiani, Riccardo; Wu, Wenyu; Naik, Anu; Larocca, Michele; Schneider, Lukas; Padrutt, Roxane; Babu, Vipin; König, Christiane; Hinger, Doris; Maake, Caroline; Ferrari, Stefano; Gasser, Gilles; Spingler, Bernhard","Studying the cellular distribution of highly phototoxic platinated metalloporphyrins using isotope labelling.","Chemical communications (Cambridge, England)","2020","56","92","14373","14376","10.1039/d0cc05196a","","x-ray","1.54184","CuKα","","0.0736","0.0684","","","0.1917","0.1964","","","","","","1.037","","","","has coordinates,has disorder","260468","2021-01-04","18:15:32",""
"7127752","14.5377","0.0003","16.9875","0.0003","31.4097","0.0005","90","","92.689","0.002","90","","7748.4","0.2","159.99","0.1","159.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H92 F12 K2 N16 O16 P2 -","- C64 H92 F12 K2 N16 O16 P2 -","- C256 H368 F48 K8 N64 O64 P8 -","4","1","","Xiao, Tangxin; Zhong, Weiwei; Yang, Weiwei; Qi, Lijie; Gao, Yan; Sue, Andrew C.-H.; Li, Zheng-Yi; Sun, Xiao-Qiang; Lin, Chen; Wang, Leyong","Reversible hydrogen-bonded polymerization regulated by allosteric metal templation.","Chemical communications (Cambridge, England)","2020","56","92","14385","14388","10.1039/d0cc06381a","","x-ray","0.71073","MoKα","","0.0799","0.0523","","","0.1491","0.1666","","","","","","1.071","","","","has coordinates,has disorder","260469","2021-01-04","18:15:56",""
"7127753","10.8825","0.001","21.5798","0.0016","8.2395","0.0007","90","","90","","90","","1935","0.3","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H19 Cl -","- C24 H19 Cl -","- C96 H76 Cl4 -","4","1","","Xue, Ze-Jian; Li, Meng-Yao; Zhu, Bin-Bin; He, Zhi-Tao; Feng, Chen-Guo; Lin, Guo-Qiang","Stereoselective synthesis of conjugated trienes <i>via</i> 1,4-palladium migration/Heck sequence.","Chemical communications (Cambridge, England)","2020","56","92","14420","14422","10.1039/d0cc06452a","","","0.71073","MoKα","","0.0781","0.0449","","","0.0894","0.1086","","","","","","1.06","","","","has coordinates","260470","2021-01-04","18:16:24",""
"7127754","9.1103","0.0009","9.944","0.001","15.5023","0.0016","77.338","0.002","89.422","0.002","88.622","0.002","1369.8","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H38 F3 Fe N3 O6 S -","- C24 H38 F3 Fe N3 O6 S -","- C48 H76 F6 Fe2 N6 O12 S2 -","2","1","","Sánchez-Eguía, Brenda N; Serrano-Plana, Joan; Company, Anna; Costas, Miquel","Catalytic O<sub>2</sub> activation with synthetic models of α-ketoglutarate dependent oxygenases.","Chemical communications (Cambridge, England)","2020","56","92","14369","14372","10.1039/d0cc05942k","","","0.71073","MoKα","","0.0778","0.0485","","","0.1016","0.1141","","","","","","1.024","","","","has coordinates","260471","2021-01-04","18:17:20",""
"7127755","10.8333","0.0008","12.2736","0.0008","13.012","0.0009","79.726","0.002","74.064","0.002","81.746","0.002","1628.8","0.2","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H44 F3 Fe N5 O5 S -","- C27 H44 F3 Fe N5 O5 S -","- C54 H88 F6 Fe2 N10 O10 S2 -","2","1","","Sánchez-Eguía, Brenda N; Serrano-Plana, Joan; Company, Anna; Costas, Miquel","Catalytic O<sub>2</sub> activation with synthetic models of α-ketoglutarate dependent oxygenases.","Chemical communications (Cambridge, England)","2020","56","92","14369","14372","10.1039/d0cc05942k","","","0.71073","MoKα","","0.0704","0.0575","","","0.1298","0.1385","","","","","","1.094","","","","has coordinates,has disorder","260471","2021-01-04","18:17:20",""
"7127756","12.832","0.003","15.977","0.003","30.509","0.006","90","","98.773","0.004","90","","6182","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H88 Cl2 Fe2 N6 O10 -","- C52 H88 Cl2 Fe2 N6 O10 -","- C208 H352 Cl8 Fe8 N24 O40 -","4","1","","Sánchez-Eguía, Brenda N; Serrano-Plana, Joan; Company, Anna; Costas, Miquel","Catalytic O<sub>2</sub> activation with synthetic models of α-ketoglutarate dependent oxygenases.","Chemical communications (Cambridge, England)","2020","56","92","14369","14372","10.1039/d0cc05942k","","","0.71073","MoKα","","0.1072","0.0785","","","0.1937","0.2127","","","","","","1.086","","","","has coordinates,has disorder","260471","2021-01-04","18:17:21",""
"7127757","6.8545","0.0003","39.3855","0.0016","17.3529","0.0007","90","","98.991","0.002","90","","4627.2","0.3","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25.5 H17 F6 N5 O0.5 P Pt -","- C25.5 H17 F6 N5 O0.5 P Pt -","- C204 H136 F48 N40 O4 P8 Pt8 -","8","2","","He, Lei; Meng, Zhenyu; Guo, Qianqian; Wu, Xiangyang; Teulade-Fichou, Marie-Paule; Yeow, Edwin Kok Lee; Shao, Fangwei","Fluorogenic Pt complexes distinguish the quantity and folding behavior of RNA G-quadruplexes between live cancerous and healthy cells.","Chemical communications (Cambridge, England)","2020","56","92","14459","14462","10.1039/d0cc05622g","","","1.54178","CuKα","","0.0472","0.0438","","","0.0999","0.1014","","","","","","1.22","","","","has coordinates","294326","2024-09-02","09:37:26",""
"7127758","7.813","0.0006","9.3837","0.0006","16.3462","0.0011","101.355","0.006","97.002","0.006","104.391","0.006","1119.53","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 B F2 O4 -","- C25 H25 B F2 O4 -","- C50 H50 B2 F4 O8 -","2","1","","Yan, Cai-Xin; Lin, Qian-Qian; Li, Sha; Wu, Cheng-Juan; Li, Yan-An; Fan, Jian-Zhong; Ma, Jian-Ping; Geng, Yan; Dong, Yu-Bin","Synthesis of fulvene-containing boron complexes with aggregation-induced emission and mechanochromic luminescence.","Chemical communications (Cambridge, England)","2020","56","92","14435","14438","10.1039/d0cc05757f","","x-ray","1.54184","CuKα","","0.0559","0.0403","","","0.1002","0.1118","","","","","","1.043","","","","has coordinates","260473","2021-01-04","18:18:41",""
"7127759","9.6358","0.0007","10.2626","0.0006","12.5875","0.0008","75.48","0.005","73.81","0.006","83.749","0.006","1156.19","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H26 O2 -","- C31 H26 O2 -","- C62 H52 O4 -","2","1","","Yan, Cai-Xin; Lin, Qian-Qian; Li, Sha; Wu, Cheng-Juan; Li, Yan-An; Fan, Jian-Zhong; Ma, Jian-Ping; Geng, Yan; Dong, Yu-Bin","Synthesis of fulvene-containing boron complexes with aggregation-induced emission and mechanochromic luminescence.","Chemical communications (Cambridge, England)","2020","56","92","14435","14438","10.1039/d0cc05757f","","x-ray","1.54184","CuKα","","0.0631","0.0498","","","0.1294","0.1374","","","","","","1.036","","","","has coordinates","260473","2021-01-04","18:18:41",""
"7127760","24.5441","0.0019","12.1699","0.0004","20.6663","0.0016","90","","123.726","0.011","90","","5134.1","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H25 B F2 O2 -","- C31 H25 B F2 O2 -","- C248 H200 B8 F16 O16 -","8","1","","Yan, Cai-Xin; Lin, Qian-Qian; Li, Sha; Wu, Cheng-Juan; Li, Yan-An; Fan, Jian-Zhong; Ma, Jian-Ping; Geng, Yan; Dong, Yu-Bin","Synthesis of fulvene-containing boron complexes with aggregation-induced emission and mechanochromic luminescence.","Chemical communications (Cambridge, England)","2020","56","92","14435","14438","10.1039/d0cc05757f","","x-ray","1.54184","CuKα","","0.0967","0.0745","","","0.221","0.2422","","","","","","1.057","","","","has coordinates,has disorder","260473","2021-01-04","18:18:41",""
"7127761","25.6867","0.0013","30.3229","0.0016","37.02","0.0018","107.289","0.003","99.777","0.003","110.352","0.003","24582","2","296","2","296.15","","","","","","","","","9","P -1","-P 1","2","","","","- C316 H437 Ag51 Cl7 F12 P2 Pt2 S28 Sb2 -","- C316 H439 Ag51 Cl7 F12 P2 Pt2 S28 Sb2 -","- C632 H878 Ag102 Cl14 F24 P4 Pt4 S56 Sb4 -","2","1","","Liu, Ying; Wang, Shuxin; Kang, Xi; Yin, Bing; Jin, Shan; Chen, Shuang; Zhu, Manzhou","Heterogeneous metal alloy engineering: embryonic growth of M<sub>13</sub> icosahedra in Ag-based alloy superatomic nanoclusters.","Chemical communications (Cambridge, England)","2020","56","91","14203","14206","10.1039/d0cc05575a","","","0.71073","MoKα","","0.2222","0.1183","","","0.2958","0.3502","","","","","","1.022","","","","has coordinates","260474","2021-01-04","18:20:21",""
"7127762","41.694","0.0005","29.9362","0.0004","62.1774","0.0009","90","","108.961","0.0006","90","","73396.4","1.7","296","2","296.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C280 H406 Ag48 Au3 Cl7 F12 S28 Sb2 -","- C280 H406 Ag48 Au3 Cl7 F12 S28 Sb2 -","- C2240 H3248 Ag384 Au24 Cl56 F96 S224 Sb16 -","8","1","","Liu, Ying; Wang, Shuxin; Kang, Xi; Yin, Bing; Jin, Shan; Chen, Shuang; Zhu, Manzhou","Heterogeneous metal alloy engineering: embryonic growth of M<sub>13</sub> icosahedra in Ag-based alloy superatomic nanoclusters.","Chemical communications (Cambridge, England)","2020","56","91","14203","14206","10.1039/d0cc05575a","","","0.71073","MoKα","","0.1983","0.1218","","","0.3289","0.3725","","","","","","1.222","","","","has coordinates,has disorder","260474","2021-01-04","18:20:22",""
"7127763","10.2134","0.0002","14.0734","0.0003","16.2616","0.0003","100.776","0.002","93.428","0.002","109.092","0.002","2151.38","0.08","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N2 Si -","- C26 H26 N2 Si -","- C104 H104 N8 Si4 -","4","2","","Espinosa-Jalapa, Noel Angel; Berg, Nele; Seidl, Michael; Shenderovich, Ilya G.; Gschwind, Ruth M.; Bauer, Jonathan O.","Complexation behaviour of LiCl and LiPF<sub>6</sub>- model studies in the solid-state and in solution using a bidentate picolyl-based ligand.","Chemical communications (Cambridge, England)","2020","56","87","13335","13338","10.1039/d0cc05682k","","x-ray","1.54184","CuKα","","0.0394","0.0359","","","0.0937","0.0969","","","","","","1.025","","","","has coordinates","297289","2025-01-11","08:06:24",""
"7127764","9.8911","0.0003","10.3035","0.0002","10.8066","0.0002","82.034","0.002","64.483","0.002","87.683","0.002","984.09","0.04","123","1","123","1","","","","","","","Pentane","4","P -1","-P 1","2","","","","- C24 H22 N2 Si -","- C24 H22 N2 Si -","- C48 H44 N4 Si2 -","2","1","","Espinosa-Jalapa, Noel Angel; Berg, Nele; Seidl, Michael; Shenderovich, Ilya G.; Gschwind, Ruth M.; Bauer, Jonathan O.","Complexation behaviour of LiCl and LiPF<sub>6</sub>- model studies in the solid-state and in solution using a bidentate picolyl-based ligand.","Chemical communications (Cambridge, England)","2020","56","87","13335","13338","10.1039/d0cc05682k","","x-ray","1.54184","CuKα","","0.0341","0.0316","","","0.0804","0.0819","","","","","","1.052","","","","has coordinates","260475","2021-01-04","18:31:45",""
"7127765","8.9867","0.0002","11.6858","0.0003","12.4491","0.0003","77.799","0.002","74.843","0.002","78.754","0.002","1219.77","0.05","123","1","123","1","","","","","","","","6","P 1","P 1","1","","","","- C52 H50 Cl2 Li2 N6 Si2 -","- C52 H50 Cl2 Li2 N6 Si2 -","- C52 H50 Cl2 Li2 N6 Si2 -","1","1","","Espinosa-Jalapa, Noel Angel; Berg, Nele; Seidl, Michael; Shenderovich, Ilya G.; Gschwind, Ruth M.; Bauer, Jonathan O.","Complexation behaviour of LiCl and LiPF<sub>6</sub>- model studies in the solid-state and in solution using a bidentate picolyl-based ligand.","Chemical communications (Cambridge, England)","2020","56","87","13335","13338","10.1039/d0cc05682k","","x-ray","0.71073","MoKα","","0.0477","0.0387","","","0.0807","0.085","","","","","","1.02","","","","has coordinates","260475","2021-01-04","18:31:45",""
"7127766","10.5712","0.0001","18.1992","0.0002","27.2894","0.0003","90","","100.784","0.001","90","","5157.42","0.1","123.15","","123.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48.7 H45.4 Cl1.4 F12 Li2 N4 P2 Si2 -","- C48.7 H45.4 Cl1.4 F12 Li2 N4 P2 Si2 -","- C194.8 H181.6 Cl5.6 F48 Li8 N16 P8 Si8 -","4","1","","Espinosa-Jalapa, Noel Angel; Berg, Nele; Seidl, Michael; Shenderovich, Ilya G.; Gschwind, Ruth M.; Bauer, Jonathan O.","Complexation behaviour of LiCl and LiPF<sub>6</sub>- model studies in the solid-state and in solution using a bidentate picolyl-based ligand.","Chemical communications (Cambridge, England)","2020","56","87","13335","13338","10.1039/d0cc05682k","","x-ray","1.54184","CuKα","","0.0376","0.0348","","","0.0888","0.091","","","","","","1.022","","","","has coordinates,has disorder","260475","2021-01-04","18:31:46",""
"7157160","14.89204","0.00007","17.25623","0.0001","28.41877","0.00013","90","","98.1145","0.0004","90","","7229.95","0.06","103","","103","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C87 H79 N6 O7 -","- C87 H79 N6 O7 -","- C348 H316 N24 O28 -","4","1","","Saito, Yuuki; Satake, Misa; Mori, Ryuichi; Okayasu, Misaki; Masu, Hyuma; Tominaga, Masahide; Katagiri, Kosuke; Yamaguchi, Kentaro; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Synthesis and chiroptical properties of cylindrical macrocycles comprising two calix[3]aramide moieties.","Organic & biomolecular chemistry","2020","18","2","230","236","10.1039/c9ob02022e","","","1.54187","CuKα","","0.072","0.0654","","","0.1818","0.1884","","","","","","1.028","","","","has coordinates,has disorder","247821","2020-10-21","18:00:00",""
"7157161","9.47394","0.00008","19.77494","0.0001","19.02693","0.00013","90","","101.684","0.0008","90","","3490.77","0.04","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 N3 O3 -","- C45 H39 N3 O3 -","- C180 H156 N12 O12 -","4","1","","Saito, Yuuki; Satake, Misa; Mori, Ryuichi; Okayasu, Misaki; Masu, Hyuma; Tominaga, Masahide; Katagiri, Kosuke; Yamaguchi, Kentaro; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Synthesis and chiroptical properties of cylindrical macrocycles comprising two calix[3]aramide moieties.","Organic & biomolecular chemistry","2020","18","2","230","236","10.1039/c9ob02022e","","","1.54187","CuKα","","0.0407","0.0367","","","0.0935","0.0963","","","","","","1.024","","","","has coordinates","247821","2020-10-21","18:00:00",""
"7157214","11.118","0.002","7.8299","0.0016","11.76","0.002","90","","111.37","0.03","90","","953.4","0.4","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O6 -","- C20 H27 N O6 -","- C40 H54 N2 O12 -","2","1","","Yang, Lin-Feng; Shimadate, Yuna; Kato, Atsushi; Li, Yi-Xian; Jia, Yue-Mei; Fleet, George W. J.; Yu, Chu-Yi","Synthesis and glycosidase inhibition of N-substituted derivatives of 1,4-dideoxy-1,4-imino-d-mannitol (DIM).","Organic & biomolecular chemistry","2020","18","5","999","1011","10.1039/c9ob02029b","","","0.71073","MoKα","","0.0323","0.0318","","","0.0758","0.0763","","","","","","1.074","","","","has coordinates","249032","2020-10-21","18:00:00",""
"7157248","15.07","0.0017","11.1664","0.0012","15.3653","0.0017","90","","97.227","0.002","90","","2565.1","0.5","296.15","","296.15","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C25 H24 N2 O6 -","- C25 H24 N2 O6 -","- C100 H96 N8 O24 -","4","1","","Liao, Hui; Zhu, Qiuhua","Water-DMSO-promoted one-pot synthesis of two new series of dihydropyrrolo[2,3-h]quinolines.","Organic & biomolecular chemistry","2020","18","2","215","219","10.1039/c9ob02342a","","","0.71073","MoKα","","0.0982","0.0549","","","0.1493","0.1748","","","","","","1.031","","","","has coordinates","247818","2020-10-21","18:00:00",""
"7157249","7.9585","0.0005","9.424","0.0005","20.5726","0.0013","86.645","0.003","79.638","0.003","84.679","0.003","1509.88","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H33 B Cl2 F8 N3 P -","- C28 H33 B Cl2 F8 N3 P -","- C56 H66 B2 Cl4 F16 N6 P2 -","2","1","","VanDenburgh, Katherine L.; Liu, Yun; Sadhukhan, Tumpa; Benson, Christopher R.; Cox, Natalie M.; Erbas-Cakmak, Sundus; Qiao, Bo; Gao, Xinfeng; Pink, Maren; Raghavachari, Krishnan; Flood, Amar H.","Multi-state amine sensing by electron transfers in a BODIPY probe.","Organic & biomolecular chemistry","2020","18","3","431","440","10.1039/c9ob02466b","","","0.71073","MoKα","","0.1668","0.0799","","","0.2179","0.2736","","","","","","1.007","","","","has coordinates,has disorder","247832","2020-10-21","18:00:00",""
"7157250","9.914","0.003","12.666","0.005","10.006","0.003","90","","90","","90","","1256.5","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H16 N2 O S -","- C13 H16 N2 O S -","- C52 H64 N8 O4 S4 -","4","1","","Das, Arup Jyoti; Borgohain, Hemi; Sarma, Bipul; Das, Sajal Kumar","Switching of regioselectivity in base-mediated diastereoselective annulation of 2,3-epoxy tosylates and their N-tosylaziridine analogs with 2-mercaptobenzimidazole.","Organic & biomolecular chemistry","2020","18","3","441","449","10.1039/c9ob02454a","","","0.71073","MoKα","","0.2005","0.0627","","","0.097","0.1233","","","","","","1.056","","","","has coordinates","247825","2020-10-21","18:00:00",""
"7157251","6.3476","0.0003","13.4188","0.0006","15.2697","0.0007","90","","96.662","0.003","90","","1291.85","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N2 O S -","- C13 H16 N2 O S -","- C52 H64 N8 O4 S4 -","4","1","","Das, Arup Jyoti; Borgohain, Hemi; Sarma, Bipul; Das, Sajal Kumar","Switching of regioselectivity in base-mediated diastereoselective annulation of 2,3-epoxy tosylates and their N-tosylaziridine analogs with 2-mercaptobenzimidazole.","Organic & biomolecular chemistry","2020","18","3","441","449","10.1039/c9ob02454a","","","0.71073","MoKα","","0.0794","0.049","","","0.14","0.166","","","","","","0.909","","","","has coordinates","247825","2020-10-21","18:00:00",""
"7157252","21.44","0.008","6.442","0.002","30.004","0.009","90","","132.808","0.018","90","","3040.2","1.9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Br F N2 O S -","- C16 H12 Br F N2 O S -","- C128 H96 Br8 F8 N16 O8 S8 -","8","2","","Das, Arup Jyoti; Borgohain, Hemi; Sarma, Bipul; Das, Sajal Kumar","Switching of regioselectivity in base-mediated diastereoselective annulation of 2,3-epoxy tosylates and their N-tosylaziridine analogs with 2-mercaptobenzimidazole.","Organic & biomolecular chemistry","2020","18","3","441","449","10.1039/c9ob02454a","","","0.71073","MoKα","","0.1137","0.0663","","","0.1844","0.2386","","","","","","0.755","","","","has coordinates","247825","2020-10-21","18:00:00",""
"7157253","12.881","0.003","19.724","0.004","9.3055","0.0019","90","","101.12","0.03","90","","2319.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O2 S2 -","- C23 H21 N3 O2 S2 -","- C92 H84 N12 O8 S8 -","4","1","","Das, Arup Jyoti; Borgohain, Hemi; Sarma, Bipul; Das, Sajal Kumar","Switching of regioselectivity in base-mediated diastereoselective annulation of 2,3-epoxy tosylates and their N-tosylaziridine analogs with 2-mercaptobenzimidazole.","Organic & biomolecular chemistry","2020","18","3","441","449","10.1039/c9ob02454a","","","0.71073","MoKα","","0.1951","0.0974","","","0.1191","0.1267","","","","","","1.087","","","","has coordinates,has disorder","247825","2020-10-21","18:00:00",""
"7157254","8.3937","0.0017","9.26","0.0019","13.938","0.003","90.66","0.03","93.39","0.03","95.51","0.03","1076.3","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22.5 Cl0.5 N3 O3 -","- C25 H22 Cl0.5 N3 O3 -","- C50 H44 Cl N6 O6 -","2","1","","Liu, Jialin; Cao, Jilei; Liu, Rongfang; Li, Ruifeng; Qiao, Yan; Zhou, Rong","Condensation of 1,2-dicarbonyl compounds with modified Huisgen zwitterions: synthesis of N-aryl-N-acyl hydrazones.","Organic & biomolecular chemistry","2020","18","3","530","537","10.1039/c9ob02508a","","","0.71073","MoKα","","0.0863","0.0555","","","0.134","0.1474","","","","","","1.058","","","","has coordinates","247826","2020-10-21","18:00:00",""
"7157255","30.064","0.007","9.445","0.002","15.361","0.004","90","","105.189","0.007","90","","4209.5","1.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 N2 O4 -","- C22 H30 N2 O4 -","- C176 H240 N16 O32 -","8","1","","Xu, Qingfeng; Li, Bang; Ma, Yujie; Sun, Fei; Gao, Yanan; Ye, Na","K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-HFIP synergistically promoted para-selective sp<sup>3</sup> C-H bond diarylation of glycine esters.","Organic & biomolecular chemistry","2020","18","4","666","670","10.1039/c9ob02489a","","","0.71073","MoKα","","0.0726","0.0568","","","0.1861","0.1978","","","","","","1.474","","","","has coordinates","247808","2020-10-21","18:00:00",""
"7157256","8.6977","0.0004","14.9757","0.0006","10.6125","0.0005","90","","101.554","0.005","90","","1354.31","0.11","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","C17H15NO2","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Oshimoto, Kohei; Zhou, Biao; Tsuji, Hiroaki; Kawatsura, Motoi","Synthesis of substituted benzo[b][1,4]oxazepine derivatives by the reaction of 2-aminophenols with alkynones.","Organic & biomolecular chemistry","2020","18","3","415","419","10.1039/c9ob02450f","","x-ray","0.71073","MoKα","","0.0606","0.0454","","","0.104","0.1124","","","","","","1.027","","","","has coordinates","247829","2020-10-21","18:00:00",""
"7157257","10.245","0.0002","10.9607","0.0002","11.1338","0.0007","74.014","0.005","74.695","0.005","72.702","0.005","1124.73","0.09","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H23 N5 O5 -","- C23 H23 N5 O5 -","- C46 H46 N10 O10 -","2","1","","Karahan, Seda; Tanyeli, Cihangir","Bifunctional squaramide catalyzed stereoselective Mannich reaction of α-azido ketones with isatin-derived ketimines.","Organic & biomolecular chemistry","2020","18","3","479","487","10.1039/c9ob02208b","","","0.71075","MoKα","","0.0633","0.0588","","","0.153","0.1599","","","","","","1.0697","","","","has coordinates","276355","2022-06-28","16:55:32",""
"7157258","16.7456","0.0005","16.7456","0.0005","13.5915","0.0009","90","","90","","90","","3811.3","0.3","293","2","293.15","","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C22 H19 Cl N O4 -","- C22 H19 Cl N O4 -","- C176 H152 Cl8 N8 O32 -","8","1","","Jiang, Xue-Fei; Tan, Hao; Cui, Hai-Lei","FeCl<sub>3</sub> mediated dimerization of dihydropyrrolo[2,1-a]isoquinolines and chlorination of tetrasubstituted pyrroles.","Organic & biomolecular chemistry","2020","18","4","660","665","10.1039/c9ob02607j","","x-ray","1.54184","CuKα","","0.0762","0.0433","","","0.0878","0.1038","","","","","","0.994","","","","has coordinates","247809","2020-10-21","18:00:00",""
"7157259","6.8732","0.0003","16.6383","0.0007","16.3749","0.0007","90","","91.708","0.001","90","","1871.77","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N3 O5 -","- C19 H23 N3 O5 -","- C76 H92 N12 O20 -","4","1","","Kruschel, Ryan D.; Buzid, Alyah; Khandavilli, Udaya B Rao; Lawrence, Simon E.; Glennon, Jeremy D.; McCarthy, Florence O.","Isoquinolinequinone N-oxides as anticancer agents effective against drug resistant cell lines.","Organic & biomolecular chemistry","2020","18","3","557","568","10.1039/c9ob02441g","","","0.71073","MoKα","","0.0558","0.0421","","","0.1127","0.1241","","","","","","1.036","","","","has coordinates","247831","2020-10-21","18:00:00",""
"7157260","7.185","0.0014","10","0.002","15.059","0.003","90","","90","","90","","1082","0.4","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 K O9 S -","- C6 H12.697 K O9 S -","- C24 H50.788 K4 O36 S4 -","4","1","","Zhang, Yunyang; Mui, Janice W.-Y.; Arumaperuma, Thimali; Lingford, James P.; Goddard-Borger, Ethan D; White, Jonathan M.; Williams, Spencer J.","Concise synthesis of sulfoquinovose and sulfoquinovosyl diacylglycerides, and development of a fluorogenic substrate for sulfoquinovosidases.","Organic & biomolecular chemistry","2020","18","4","675","686","10.1039/c9ob02540e","","","0.710757","Synchrotron","","0.1384","0.0746","","","0.1829","0.2177","","","","","","1.038","","","","has coordinates,has disorder","247807","2020-10-21","18:00:00",""
"7157261","6.936","0.0014","15.065","0.003","9.817","0.002","90","","90.38","0.03","90","","1025.8","0.4","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H13 Na O9 S -","- C6 H12.3295 Na O9 S -","- C24 H49.318 Na4 O36 S4 -","4","2","","Zhang, Yunyang; Mui, Janice W.-Y.; Arumaperuma, Thimali; Lingford, James P.; Goddard-Borger, Ethan D; White, Jonathan M.; Williams, Spencer J.","Concise synthesis of sulfoquinovose and sulfoquinovosyl diacylglycerides, and development of a fluorogenic substrate for sulfoquinovosidases.","Organic & biomolecular chemistry","2020","18","4","675","686","10.1039/c9ob02540e","","","0.799895","Synchrotron","","0.0739","0.0713","","","0.1696","0.1718","","","","","","1.069","","","","has coordinates,has disorder","247807","2020-10-21","18:00:00",""
"7157262","5.7496","0.0011","11.342","0.002","12.287","0.003","92.62","0.03","95.69","0.03","94.25","0.03","794","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 N O4 S -","- C17 H17 N O4 S -","- C34 H34 N2 O8 S2 -","2","1","","Yang, Shichao; Li, Hongji; Li, Pinhua; Yang, Jingya; Wang, Lei","Room temperature iron(ii)-catalyzed radical cyclization of unsaturated oximes with hypervalent iodine reagents.","Organic & biomolecular chemistry","2020","18","4","715","724","10.1039/c9ob02424g","","","0.71073","MoKα","","0.0647","0.0466","","","0.1114","0.1222","","","","","","1.034","","","","has coordinates","247814","2020-10-21","18:00:00",""
"7157263","7.471","0.013","8.149","0.014","13.09","0.02","91.378","0.019","105.627","0.019","115.663","0.017","683","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 F2 N2 O -","- C16 H12 F2 N2 O -","- C32 H24 F4 N4 O2 -","2","1","","Xie, Xiaojuan; Zhang, Yifang; Hao, Jian; Wan, Wen","Ag-Catalyzed minisci C-H difluoromethylarylation of N-heteroarenes.","Organic & biomolecular chemistry","2020","18","3","400","404","10.1039/c9ob02586c","","","0.71073","MoKα","","0.0473","0.0375","","","0.1004","0.109","","","","","","1.059","","","","has coordinates","247828","2020-10-21","18:00:00",""
"7157264","7.5028","0.001","10.3065","0.001","17.339","0.002","90","","93.209","0.011","90","","1338.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C60 H52 N12 O4 -","4","1","","Bhattacherjee, Dhananjay; Shaifali, ?; Kumar, Ajay; Sharma, Ajay; Purohit, Rituraj; Das, Pralay","Iodine(iii) promoted ring-rearrangement reaction of 1-arylamino-2-oxocyclopentane-1-carbonitriles to synthesize N-aryl-δ-valerolactams.","Organic & biomolecular chemistry","2020","18","4","745","749","10.1039/c9ob02598g","","x-ray","1.54184","CuKα","","0.1436","0.0934","","","0.2885","0.4097","","","","","","1.639","","","","has coordinates","247805","2020-10-21","18:00:00",""
"7157265","7.7797","0.0003","13.9645","0.0007","21.3823","0.001","90","","90","","90","","2322.96","0.18","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 O4 -","- C28 H36 O4 -","- C112 H144 O16 -","4","1","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0402","0.0367","","","0.0913","0.0941","","","","","","1.046","","","","has coordinates","247813","2020-10-21","18:00:00",""
"7157266","11.3526","0.0007","7.2237","0.0003","19.7666","0.0012","90","","104.982","0.006","90","","1565.91","0.16","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H48 O4 -","- C34 H48 O4 -","- C68 H96 O8 -","2","1","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0513","0.0417","","","0.0957","0.1028","","","","","","1.038","","","","has coordinates","247813","2020-10-21","18:00:00",""
"7157267","21.7423","0.0015","7.1223","0.0005","19.5816","0.0014","90","","101.416","0.007","90","","2972.3","0.4","298","2","298","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C34 H48 O4 -","- C34 H48 O4 -","- C136 H192 O16 -","4","1","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0746","0.0556","","","0.1165","0.138","","","","","","1.098","","","","has coordinates","247813","2020-10-21","18:00:00",""
"7157268","8.4637","0.0004","7.4511","0.0003","47.1253","0.0017","90","","90.048","0.004","90","","2971.9","0.2","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H52 O2 -","- C34 H52 O2 -","- C136 H208 O8 -","4","2","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0675","0.0492","","","0.1042","0.1143","","","","","","1.053","","","","has coordinates","247813","2020-10-21","18:00:00",""
"7157269","13.1096","0.0016","6.5478","0.0007","34.244","0.004","90","","95.486","0.011","90","","2926","0.6","130","2","130","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C34 H47 O4 -","- C34 H47 O4 -","- C136 H188 O16 -","4","1","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0741","0.0539","","","0.1275","0.1398","","","","","","1.045","","","","has coordinates","247813","2020-10-21","18:00:00",""
"7157270","7.4753","0.0005","8.3777","0.0007","23.7615","0.0017","90","","97.224","0.006","90","","1476.27","0.19","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H52 O2 -","- C34 H52 O2 -","- C68 H104 O4 -","2","1","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0736","0.0527","","","0.1152","0.1417","","","","","","1.057","","","","has coordinates","247813","2020-10-21","18:00:00",""
"7157271","11.0864","0.0019","12.741","0.002","12.895","0.002","87.097","0.004","76.513","0.004","70.713","0.003","1671.1","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 B F2 N5 O -","- C38 H40 B F2 N5 O -","- C76 H80 B2 F4 N10 O2 -","2","1","","Zhang, Yuandong; Zheng, Xiaohua; Zhang, Liping; Yang, Zhiyu; Chen, Li; Wang, Lei; Liu, Shi; Xie, Zhigang","Red fluorescent pyrazoline-BODIPY nanoparticles for ultrafast and long-term bioimaging.","Organic & biomolecular chemistry","2020","18","4","707","714","10.1039/c9ob02373a","","","0.71073","MoKα","","0.1335","0.0697","","","0.197","0.2496","","","","","","0.972","","","","has coordinates","247806","2020-10-21","18:00:00",""
"7157272","11.6688","0.0003","10.6008","0.0003","31.1741","0.0009","90","","100.107","0.003","90","","3796.35","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 N3 O2 S -","- C18 H23 N3 O2 S -","- C144 H184 N24 O16 S8 -","8","2","","Cao, Ming; Teng, Qing-Hu; Xi, Zhi-Wei; Liu, Li-Qiu; Gu, Ren-Yong; Wang, Ying-Chun","Facile synthesis of 2-alkynyl oxazoles via a Ce(OTf)<sub>3</sub>-catalyzed cascade reaction of alkynyl carboxylic acids with tert-butyl isocyanide.","Organic & biomolecular chemistry","2020","18","4","655","659","10.1039/c9ob02337b","","x-ray","1.54184","CuKα","","0.0638","0.0564","","","0.1439","0.1515","","","","","","1.038","","","","has coordinates,has disorder","247811","2020-10-21","18:00:00",""
"7157273","19.232","0.0003","11.92476","0.00017","23.5435","0.0004","90","","90","","90","","5399.4","0.15","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H38 N6 O2 -","- C27 H38 N6 O2 -","- C216 H304 N48 O16 -","8","1","","Cao, Ming; Teng, Qing-Hu; Xi, Zhi-Wei; Liu, Li-Qiu; Gu, Ren-Yong; Wang, Ying-Chun","Facile synthesis of 2-alkynyl oxazoles via a Ce(OTf)<sub>3</sub>-catalyzed cascade reaction of alkynyl carboxylic acids with tert-butyl isocyanide.","Organic & biomolecular chemistry","2020","18","4","655","659","10.1039/c9ob02337b","","x-ray","1.54184","CuKα","","0.054","0.0435","","","0.1067","0.1146","","","","","","1.037","","","","has coordinates","247811","2020-10-21","18:00:00",""
"7157274","8.0852","0.0007","7.8019","0.0006","21.7718","0.0019","90","","97.796","0.003","90","","1360.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","EIT_DB_004_01","","","- C16 H11 F N2 O2 -","- C16 H11 F N2 O2 -","- C64 H44 F4 N8 O8 -","4","1","","Eitzinger, Andreas; Brière, Jean-François; Cahard, Dominique; Waser, Mario","Enantioselective catalytic synthesis of α-aryl-α-SCF<sub>3</sub>-β<sup>2,2</sup>-amino acids.","Organic & biomolecular chemistry","2020","18","3","405","408","10.1039/c9ob02666e","","","0.71073","MoKα","","0.0523","0.0417","","","0.0993","0.1099","","","","","","1.068","","","","has coordinates","247827","2020-10-21","18:00:00",""
"7157275","5.5128","0.0006","14.1945","0.0018","20.649","0.003","90","","90","","90","","1615.8","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O2 S -","- C19 H17 N O2 S -","- C76 H68 N4 O8 S4 -","4","1","","Zhou, Hui; Wang, Rui; Zhang, Hui; Chen, Wei; Lu, Xiao-Bing","Access to 1,3-oxazine-2,4-diones/1,3-thiazine-2,4-diones via organocatalytic CO<sub>2</sub>/COS incorporation into allenamides.","Organic & biomolecular chemistry","2020","18","5","905","911","10.1039/c9ob02398d","","","0.71073","MoKα","","0.1723","0.0643","","","0.1311","0.1734","","","","","","0.964","","","","has coordinates","249033","2020-10-21","18:00:00",""
"7157276","10.31491","0.00015","22.9483","0.0003","13.02398","0.00018","90","","101.4","0.0014","90","","3022.08","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 F N2 O6 -","- C32 H33 F N2 O6 -","- C128 H132 F4 N8 O24 -","4","1","","Han, Ruiping; Ding, Yue; Jin, Xueke; Li, Er-Qing","Silver/palladium relay catalyzed 1,3-dipole annulation/allylation reactions to access fully substituted allyl imidazolidines.","Organic & biomolecular chemistry","2020","18","4","646","649","10.1039/c9ob02633a","","x-ray","1.54184","CuKα","","0.0676","0.0503","","","0.1388","0.1541","","","","","","1.045","","","","has coordinates","247812","2020-10-21","18:00:00",""
"7157277","13.9043","0.0005","10.8551","0.0004","20.2244","0.0007","90","","90","","90","","3052.52","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H13 N O5 -","- C19 H13 N O5 -","- C152 H104 N8 O40 -","8","1","","Lei, Chuan-Wen; Zhang, Chuan-Bao; Wang, Zhen-Hua; Xie, Ke-Xin; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Coumarin-3-formylpyrazoles as 3-carbon synthons in cyclocondensation for the synthesis of spiro-fused pentacyclic spirooxindoles.","Organic & biomolecular chemistry","2020","18","5","845","850","10.1039/c9ob02434d","","x-ray","1.54184","CuKα","","0.0543","0.0446","","","0.1149","0.1253","","","","","","1.028","","","","has coordinates","249031","2020-10-21","18:00:00",""
"7157278","12.7729","0.0017","16.694","0.002","14.8793","0.0019","90","","104.131","0.003","90","","3076.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 N3 O6 S -","- C27 H31 N3 O6 S -","- C108 H124 N12 O24 S4 -","4","1","","Chen, Mintao; Zang, Wenqing; Wei, Yin; Shi, Min","A highly efficient method for the construction of cyclopropane-containing dihydroindole derivatives from indolemethylenecyclopropanes with DIAD and DEAD.","Organic & biomolecular chemistry","2020","18","2","333","336","10.1039/c9ob02520k","","","0.71073","MoKα","","0.0728","0.0506","","","0.1322","0.1441","","","","","","1.018","","","","has coordinates,has disorder","247819","2020-10-21","18:00:00",""
"7157279","10.0889","0.0002","23.6964","0.0006","11.1762","0.0003","90","","91.175","0.001","90","","2671.34","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 N3 O6 S -","- C26 H29 N3 O6 S -","- C104 H116 N12 O24 S4 -","4","1","","Chen, Mintao; Zang, Wenqing; Wei, Yin; Shi, Min","A highly efficient method for the construction of cyclopropane-containing dihydroindole derivatives from indolemethylenecyclopropanes with DIAD and DEAD.","Organic & biomolecular chemistry","2020","18","2","333","336","10.1039/c9ob02520k","","","0.71073","MoKα","","0.0788","0.0588","","","0.1505","0.1683","","","","","","1.038","","","","has coordinates","247819","2020-10-21","18:00:00",""
"7157280","9.037","0.002","11.821","0.003","17.193","0.004","83.149","0.003","77.073","0.002","69.039","0.003","1670.1","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H52 N4 O2 -","- C38 H52 N4 O2 -","- C76 H104 N8 O4 -","2","1","","Mishra, Santosh Kumar; Dehuri, Suryakanta; Bag, Bamaprasad","Effect of n-alkyl substitution on Cu(ii)-selective chemosensing of rhodamine B derivatives.","Organic & biomolecular chemistry","2020","18","2","316","332","10.1039/c9ob02439e","","","0.71073","MoKα","","0.1173","0.0783","","","0.2595","0.3108","","","","","","1.066","","","","has coordinates","247817","2020-10-21","18:00:00",""
"7157281","13.492","0.002","22.47","0.002","14.213","0.001","90","","99.15","0.01","90","","4254.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H128 Cl2 Cu N8 O12 -","- C88 H128 Cl2 Cu N8 O12 -","- C176 H256 Cl4 Cu2 N16 O24 -","2","0.5","","Mishra, Santosh Kumar; Dehuri, Suryakanta; Bag, Bamaprasad","Effect of n-alkyl substitution on Cu(ii)-selective chemosensing of rhodamine B derivatives.","Organic & biomolecular chemistry","2020","18","2","316","332","10.1039/c9ob02439e","","","0.71073","MoKα","","0.0888","0.0671","","","0.1766","0.1918","","","","","","1.018","","","","has coordinates","247817","2020-10-21","18:00:00",""
"7157282","18.2004","0.0005","12.6594","0.0002","19.4388","0.0005","90","","121.245","0.003","90","","3829.2","0.2","180","2","180.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 F12 N2 O8 S2 -","- C32 H34 F12 N2 O8 S2 -","- C128 H136 F48 N8 O32 S8 -","4","0.5","","Brun, Elodie; Zhang, Ke-Feng; Guénée, Laure; Lacour, Jérôme","Photo-induced thiol-ene reactions for late-stage functionalization of unsaturated polyether macrocycles: regio and diastereoselective access to macrocyclic dithiol derivatives.","Organic & biomolecular chemistry","2020","18","2","250","254","10.1039/c9ob02375e","","x-ray","1.54184","CuKα","","0.063","0.0584","","","0.1835","0.1915","","","","","","1.053","","","","has coordinates,has disorder","247815","2020-10-21","18:00:00",""
"7157283","8.68201","0.00013","18.7358","0.0003","25.4056","0.0004","90","","97.5197","0.0014","90","","4097.05","0.11","180","2","180.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 F12 N2 O8 S2 -","- C36 H42 F11.9997 N2 O8 S2 -","- C144 H168 F47.9988 N8 O32 S8 -","4","1","","Brun, Elodie; Zhang, Ke-Feng; Guénée, Laure; Lacour, Jérôme","Photo-induced thiol-ene reactions for late-stage functionalization of unsaturated polyether macrocycles: regio and diastereoselective access to macrocyclic dithiol derivatives.","Organic & biomolecular chemistry","2020","18","2","250","254","10.1039/c9ob02375e","","x-ray","1.54184","CuKα","","0.086","0.0757","","","0.2015","0.2133","","","","","","1.056","","","","has coordinates,has disorder","247815","2020-10-21","18:00:00",""
"7157284","9.6208","0.0002","17.3037","0.0004","25.0189","0.0004","90","","94.432","0.002","90","","4152.58","0.15","180","2","180.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 F12 N2 O10 S2 -","- C36 H38 F12 N2 O10 S2 -","- C144 H152 F48 N8 O40 S8 -","4","1","","Brun, Elodie; Zhang, Ke-Feng; Guénée, Laure; Lacour, Jérôme","Photo-induced thiol-ene reactions for late-stage functionalization of unsaturated polyether macrocycles: regio and diastereoselective access to macrocyclic dithiol derivatives.","Organic & biomolecular chemistry","2020","18","2","250","254","10.1039/c9ob02375e","","x-ray","1.54184","CuKα","","0.1096","0.0883","","","0.2357","0.2567","","","","","","1.073","","","","has coordinates,has disorder","247815","2020-10-21","18:00:00",""
"7157285","9.8217","0.0005","10.9991","0.0007","18.8342","0.0012","83.763","0.005","77.823","0.005","73.022","0.005","1899.8","0.2","180","2","180.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 F12 N2 O8 S2 -","- C32 H34 F12 N2 O8 S2 -","- C64 H68 F24 N4 O16 S4 -","2","1","","Brun, Elodie; Zhang, Ke-Feng; Guénée, Laure; Lacour, Jérôme","Photo-induced thiol-ene reactions for late-stage functionalization of unsaturated polyether macrocycles: regio and diastereoselective access to macrocyclic dithiol derivatives.","Organic & biomolecular chemistry","2020","18","2","250","254","10.1039/c9ob02375e","","x-ray","1.54184","CuKα","","0.0745","0.059","","","0.1536","0.1696","","","","","","1.054","","","","has coordinates,has disorder","247815","2020-10-21","18:00:00",""
"7157286","10.295","0.0015","15.616","0.002","14.892","0.002","90","","108.857","0.004","90","","2265.6","0.5","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Br N O2 S -","- C28 H20 Br N O2 S -","- C112 H80 Br4 N4 O8 S4 -","4","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.0447","0.0339","","","0.086","0.0914","","","","","","1.031","","","","has coordinates","247824","2020-10-21","18:00:00",""
"7157287","10.4998","0.0008","13.3726","0.0011","15.4288","0.0012","79.55","0.002","70.858","0.002","76.176","0.002","1974.7","0.3","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Cl N O3 S -","- C23 H18 Cl N O3 S -","- C92 H72 Cl4 N4 O12 S4 -","4","2","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.039","0.0339","","","0.0847","0.0882","","","","","","1.033","","","","has coordinates","247824","2020-10-21","18:00:00",""
"7157288","5.2987","0.0011","12.768","0.003","14.845","0.003","88.429","0.005","82.358","0.006","86.33","0.006","993.2","0.4","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Cl N O2 S -","- C23 H18 Cl N O2 S -","- C46 H36 Cl2 N2 O4 S2 -","2","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.0629","0.0439","","","0.1","0.1102","","","","","","1.026","","","","has coordinates","247824","2020-10-21","18:00:00",""
"7157289","9.6174","0.0007","10.1886","0.0007","11.7888","0.0009","95.003","0.002","107.482","0.002","111.455","0.002","999.86","0.13","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 Cl N O -","- C28 H18 Cl N O -","- C56 H36 Cl2 N2 O2 -","2","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.0401","0.033","","","0.081","0.0864","","","","","","1.031","","","","has coordinates","247824","2020-10-21","18:00:00",""
"7157290","16.3487","0.0018","9.1325","0.001","16.747","0.002","90","","106.046","0.003","90","","2403","0.5","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl N O2 S -","- C29 H22 Cl N O2 S -","- C116 H88 Cl4 N4 O8 S4 -","4","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.0396","0.0337","","","0.0853","0.0905","","","","","","1.032","","","","has coordinates","247824","2020-10-21","18:00:00",""
"7157291","10.2889","0.0009","15.5258","0.0012","14.8833","0.0012","90","","108.961","0.002","90","","2248.5","0.3","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Cl N O2 S -","- C28 H20 Cl N O2 S -","- C112 H80 Cl4 N4 O8 S4 -","4","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.0469","0.035","","","0.0819","0.0899","","","","","","1.06","","","","has coordinates","247824","2020-10-21","18:00:00",""
"7157292","10.1684","0.0006","15.8049","0.001","15.003","0.0012","90","","109.404","0.002","90","","2274.2","0.3","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 N O2 S -","- C29 H23 N O2 S -","- C116 H92 N4 O8 S4 -","4","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.0448","0.0361","","","0.0869","0.0937","","","","","","1.024","","","","has coordinates","247824","2020-10-21","18:00:00",""
"7157293","7.14999","0.00013","12.6963","0.0002","20.1516","0.0004","90","","90","","90","","1829.33","0.06","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C80 H104 O12 S4 -","4","1","","Hosokawa, Seijiro; Nakanishi, Keisuke; Udagawa, Yutaro; Maeda, Mitsutoshi; Sato, Seiya; Nakano, Keiji; Masuda, Toshiya; Ichikawa, Yoshiyasu","Total synthesis of exigurin: the Ugi reaction in a hypothetical biosynthesis of natural products.","Organic & biomolecular chemistry","2020","18","4","687","693","10.1039/c9ob02249j","","","1.54187","CuKα","","0.0371","0.0369","","","0.0965","0.0967","","","","","","1.015","","","","has coordinates","247810","2020-10-21","18:00:00",""
"7157294","8.009","0.0004","8.009","0.0004","49.0398","0.0013","90","","90","","120","","2724.2","0.2","296","","296","","","","","","","","","4","P 61","P 61","169","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C120 H156 O18 S6 -","6","1","","Hosokawa, Seijiro; Nakanishi, Keisuke; Udagawa, Yutaro; Maeda, Mitsutoshi; Sato, Seiya; Nakano, Keiji; Masuda, Toshiya; Ichikawa, Yoshiyasu","Total synthesis of exigurin: the Ugi reaction in a hypothetical biosynthesis of natural products.","Organic & biomolecular chemistry","2020","18","4","687","693","10.1039/c9ob02249j","","","1.54187","CuKα","","0.0358","0.0357","","","0.0902","0.0903","","","","","","1.176","","","","has coordinates","247810","2020-10-21","18:00:00",""
"7157295","9.0717","0.0001","15.9713","0.0002","9.9969","0.0001","90","","99.008","0.001","90","","1430.56","0.03","170.01","0.1","170.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","Wen, Li-Rong; Ren, Guang-Yi; Geng, Rui-Sen; Zhang, Lin-Bao; Li, Ming","Fast construction of isoquinolin-1(2H)-ones by direct intramolecular C-H/N-H functionalization under metal-free conditions.","Organic & biomolecular chemistry","2020","18","2","225","229","10.1039/c9ob02430a","","x-ray","1.54184","CuKα","","0.0495","0.0472","","","0.1171","0.119","","","","","","1.039","","","","has coordinates","247820","2020-10-21","18:00:00",""
"7157296","10.2856","0.0005","13.4694","0.0006","11.2174","0.0005","90","","90.662","0.004","90","","1553.96","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","","Chen, Weiqiang; Li, Hui-Jing; Li, Qin-Ying; Wu, Yan-Chao","Direct oxidative coupling of N-acyl pyrroles with alkenes by ruthenium(ii)-catalyzed regioselective C2-alkenylation.","Organic & biomolecular chemistry","2020","18","3","500","513","10.1039/c9ob02421b","","x-ray","1.54184","CuKα","","0.0478","0.0393","","","0.1066","0.117","","","","","","1.02","","","","has coordinates","247833","2020-10-21","18:00:00",""
"7157297","18.5372","0.0006","18.5372","0.0006","10.495","0.0004","90","","90","","90","","3606.4","0.2","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C18 H18 Br N O4 S -","- C18 H18 Br N O4 S -","- C144 H144 Br8 N8 O32 S8 -","8","1","","Das, Jonali; Borah, Biraj Jyoti; Das, Sajal Kumar","Base-mediated intramolecular one-pot double-cyclization of epoxide-tethered 2-fluorobenzenesulfonamides: an avenue to 1,4-benzoxazine-fused benzothiaoxazepine-1,1-dioxides.","Organic & biomolecular chemistry","2020","18","2","220","224","10.1039/c9ob02377a","","","0.71073","MoKα","","0.0432","0.0292","","","0.0558","0.061","","","","","","1.034","","","","has coordinates","247822","2020-10-21","18:00:00",""
"7157298","10.3896","0.0008","10.1601","0.0012","17.175","0.003","90","","102.57","0.008","90","","1769.5","0.4","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,5-dimethyl-12-phenylindolo[2,1-a]isoquinolin-6(5H)-one","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","Gao, Xiaoshuang; Li, Chengyang; Yuan, Yao; Xie, Xiaomin; Zhang, Zhaoguo","Visible-light-induced intramolecular radical cascade of α-bromo-N-benzyl-alkylamides: a new strategy to synthesize tetracyclic N-fused indolo[2,1-a]isoquinolin-6(5H)-ones.","Organic & biomolecular chemistry","2020","18","2","263","271","10.1039/c9ob02294e","","","1.54178","CuKα","","0.0502","0.0439","","","0.1152","0.1209","","","","","","1.053","","","","has coordinates","247816","2020-10-21","18:00:00",""
"7157299","10.2533","0.0009","29.303","0.002","10.6278","0.001","90","","116.562","0.002","90","","2856.1","0.4","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 Br2 Cl N2 O2 S -","- C31 H25 Br2 Cl N2 O2 S -","- C124 H100 Br8 Cl4 N8 O8 S4 -","4","1","","Wani, Imtiyaz Ahmad; Goswami, Gaurav; Sk, Sahid; Mal, Abhijit; Sayyad, Masthanvali; Ghorai, Manas K.","A synthetic route to 1,4-disubstituted tetrahydro-β-carbolines and tetrahydropyranoindoles via ring-opening/Pictet-Spengler reaction of aziridines and epoxides with indoles/aldehydes.","Organic & biomolecular chemistry","2020","18","2","272","287","10.1039/c9ob02098e","","","0.71073","MoKα","","0.0864","0.0503","","","0.0925","0.1032","","","","","","1.013","","","","has coordinates","247823","2020-10-21","18:00:00",""
"7157300","7.571","0.003","13.464","0.004","20.373","0.007","90","","99.227","0.01","90","","2049.9","1.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Br2 N O -","- C24 H19 Br2 N O -","- C96 H76 Br8 N4 O4 -","4","1","","Wani, Imtiyaz Ahmad; Goswami, Gaurav; Sk, Sahid; Mal, Abhijit; Sayyad, Masthanvali; Ghorai, Manas K.","A synthetic route to 1,4-disubstituted tetrahydro-β-carbolines and tetrahydropyranoindoles via ring-opening/Pictet-Spengler reaction of aziridines and epoxides with indoles/aldehydes.","Organic & biomolecular chemistry","2020","18","2","272","287","10.1039/c9ob02098e","","","0.71073","MoKα","","0.1459","0.0805","","","0.1836","0.2111","","","","","","1.052","","","","has coordinates","247823","2020-10-21","18:00:00",""
"7157301","10.5551","0.0008","10.5551","0.0008","18.9321","0.0014","90","","90","","90","","2109.2","0.3","296","2","296","2","","","","","","","","4","P 43","P 4cw","78","","","","- C20 H26 N2 O6 -","- C20 H26 N2 O6 -","- C80 H104 N8 O24 -","4","1","","Di Silvio, Sergio; Bologna, Fabio; Milli, Lorenzo; Giuri, Demetra; Zanna, Nicola; Castellucci, Nicola; Monari, Magda; Calvaresi, Matteo; Górecki, Marcin; Angelici, Gaetano; Tomasini, Claudia; Pescitelli, Gennaro","Elusive π-helical peptide foldamers spotted by chiroptical studies.","Organic & biomolecular chemistry","2020","18","5","865","877","10.1039/c9ob02313e","","","0.71073","MoKα","","0.0914","0.0654","","","0.1686","0.1841","","","","","","1.034","","","","has coordinates","249029","2020-10-21","18:00:00",""
"7157302","18.3138","0.001","10.0679","0.0006","11.1281","0.0006","90","","102.629","0.002","90","","2002.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N2 O6 -","- C20 H26 N2 O6 -","- C80 H104 N8 O24 -","4","1","","Di Silvio, Sergio; Bologna, Fabio; Milli, Lorenzo; Giuri, Demetra; Zanna, Nicola; Castellucci, Nicola; Monari, Magda; Calvaresi, Matteo; Górecki, Marcin; Angelici, Gaetano; Tomasini, Claudia; Pescitelli, Gennaro","Elusive π-helical peptide foldamers spotted by chiroptical studies.","Organic & biomolecular chemistry","2020","18","5","865","877","10.1039/c9ob02313e","","","0.71073","MoKα","","0.1058","0.0674","","","0.1498","0.166","","","","","","1.085","","","","has coordinates","249029","2020-10-21","18:00:00",""
"7157303","11.6501","0.0004","10.813","0.0003","16.4196","0.0005","90","","106.886","0.004","90","","1979.24","0.11","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N3 -","- C25 H21 N3 -","- C100 H84 N12 -","4","1","","Ramanathan, Mani; Wan, Jing; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung","Synthesis of 2-arylamino-3-cyanoquinolines via a cascade reaction through a nitrilium intermediate.","Organic & biomolecular chemistry","2020","18","5","975","982","10.1039/c9ob02427a","","","0.71073","MoKα","","0.0825","0.0599","","","0.1657","0.1887","","","","","","1.003","","","","has coordinates","249028","2020-10-21","18:00:00",""
"7157304","20.3966","0.0005","5.584","0.0001","17.313","0.0004","90","","108.569","0.001","90","","1869.2","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O7 -","- C20 H21 N O7 -","- C80 H84 N4 O28 -","4","1","","Liu, Shitao; Li, Jisen; Lin, Junjie; Liu, Fujun; Liu, Teng; Huang, Chao","Substituent-controlled chemoselective synthesis of multi-substituted pyridones via a one-pot three-component cascade reaction.","Organic & biomolecular chemistry","2020","18","6","1130","1134","10.1039/c9ob02456e","","","1.54178","CuKα","","0.0525","0.0429","","","0.1048","0.1122","","","","","","1.053","","","","has coordinates","249038","2020-10-21","18:00:00",""
"7157305","7.7487","0.0017","8.3925","0.0019","21.639","0.005","90","","90","","90","","1407.2","0.6","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H8 I2 N2 -","- C14 H8 I2 N2 -","- C56 H32 I8 N8 -","4","1","","Saha, Moumita; Das, Asish R.","Hypervalent iodine promoted ortho diversification: 2-aryl benzimidazole, quinazoline and imidazopyridine as directing templates.","Organic & biomolecular chemistry","2020","18","5","941","955","10.1039/c9ob02533b","","","0.71073","MoKα","","0.02","0.0188","","","0.0426","0.0429","","","","","","1.143","","","","has coordinates","249030","2020-10-21","18:00:00",""
"7157306","7.7529","0.0006","7.7548","0.0006","23.621","0.002","92.139","0.005","91.463","0.005","118.775","0.003","1242.38","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl N3 O2 -","- C13 H8 Cl N3 O2 -","- C52 H32 Cl4 N12 O8 -","4","2","","Saha, Moumita; Das, Asish R.","Hypervalent iodine promoted ortho diversification: 2-aryl benzimidazole, quinazoline and imidazopyridine as directing templates.","Organic & biomolecular chemistry","2020","18","5","941","955","10.1039/c9ob02533b","","","0.71073","MoKα","","0.0611","0.0386","","","0.0988","0.1099","","","","","","2.079","","","","has coordinates","249030","2020-10-21","18:00:00",""
"7157307","11.3336","0.0002","16.1275","0.0003","18.2549","0.0003","90","","90","","90","","3336.68","0.1","299.99","0.1","299.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 O7 -","- C35 H48 O7 -","- C140 H192 O28 -","4","1","","Hou, Ji-Qin; Yu, Jiang-Hong; Zhao, Heng; Dong, Ying-Ying; Peng, Qiu-Shi; Zhang, Bao-Bao; Wang, Hao","Biomimetic total syntheses of baefrutones A-D, baeckenon B, and frutescones A, D-F.","Organic & biomolecular chemistry","2020","18","6","1135","1139","10.1039/c9ob02490e","","x-ray","1.54184","CuKα","","0.0551","0.0462","","","0.1338","0.1448","","","","","","1.057","","","","has coordinates","249035","2020-10-21","18:00:00",""
"7157308","8.8523","0.0004","10.231","0.0005","14.4737","0.0006","79.614","0.002","82.176","0.002","76.804","0.002","1249.14","0.1","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 N2 O6 S -","- C27 H26 N2 O6 S -","- C54 H52 N4 O12 S2 -","2","1","","Yuan, Chunhao; Zhang, Hui; Yuan, Mengna; Xie, Lei; Cao, Xiaoqun","Synthesis of 1,4-diazepinone derivatives via a domino aza-Michael/S<sub>N</sub>2 cyclization of 1-azadienes with α-halogenoacetamides.","Organic & biomolecular chemistry","2020","18","6","1082","1086","10.1039/c9ob02626f","","","0.71073","MoKα","","0.0565","0.0428","","","0.1053","0.1158","","","","","","1.021","","","","has coordinates","249040","2020-10-21","18:00:00",""
"7157309","10.1845","0.0006","12.6592","0.0008","12.8148","0.0008","62.147","0.002","77.425","0.002","70.019","0.002","1369.49","0.15","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H29 Br N2 O6 S -","- C28 H29 Br N2 O6 S -","- C56 H58 Br2 N4 O12 S2 -","2","1","","Yuan, Chunhao; Zhang, Hui; Yuan, Mengna; Xie, Lei; Cao, Xiaoqun","Synthesis of 1,4-diazepinone derivatives via a domino aza-Michael/S<sub>N</sub>2 cyclization of 1-azadienes with α-halogenoacetamides.","Organic & biomolecular chemistry","2020","18","6","1082","1086","10.1039/c9ob02626f","","","1.34139","GaKα","","0.0513","0.0467","","","0.1144","0.1165","","","","","","1.16","","","","has coordinates,has disorder","249040","2020-10-21","18:00:00",""
"7157310","8.917","0.0009","10.2917","0.0009","11.1275","0.0008","73.236","0.005","67.643","0.005","65.564","0.006","849.34","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Br N O2 -","- C21 H16 Br N O2 -","- C42 H32 Br2 N2 O4 -","2","1","","Kavala, Veerababurao; Wang, Chen-Yu; Wang, Cheng-Chuan; Patil, Prakash Bhimrao; Fang, ChiaChi; Kuo, Chun-Wei; Yao, Ching-Fa","Copper-catalysed synthesis of 3-hydroxyisoindolin-1-ones from benzylcyanide 2-iodobenzamides.","Organic & biomolecular chemistry","2020","18","5","988","998","10.1039/c9ob02329a","","","0.71073","MoKα","","0.0466","0.0345","","","0.0986","0.1128","","","","","","1.113","","","","has coordinates","249027","2020-10-21","18:00:00",""
"7157311","25.659","0.003","8.057","0.0007","18.4834","0.0017","90","","114.978","0.004","90","","3463.8","0.6","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H13 Br Cl N O2 -","- C20 H13 Br Cl N O2 -","- C160 H104 Br8 Cl8 N8 O16 -","8","1","","Kavala, Veerababurao; Wang, Chen-Yu; Wang, Cheng-Chuan; Patil, Prakash Bhimrao; Fang, ChiaChi; Kuo, Chun-Wei; Yao, Ching-Fa","Copper-catalysed synthesis of 3-hydroxyisoindolin-1-ones from benzylcyanide 2-iodobenzamides.","Organic & biomolecular chemistry","2020","18","5","988","998","10.1039/c9ob02329a","","","0.71073","MoKα","","0.065","0.0409","","","0.0874","0.0965","","","","","","1.052","","","","has coordinates","249027","2020-10-21","18:00:00",""
"7157312","9.7191","0.0017","10.2939","0.0019","10.63","0.002","61.607","0.006","63.029","0.005","87.604","0.006","813.1","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C42 H34 N2 O4 -","2","1","","Kavala, Veerababurao; Wang, Chen-Yu; Wang, Cheng-Chuan; Patil, Prakash Bhimrao; Fang, ChiaChi; Kuo, Chun-Wei; Yao, Ching-Fa","Copper-catalysed synthesis of 3-hydroxyisoindolin-1-ones from benzylcyanide 2-iodobenzamides.","Organic & biomolecular chemistry","2020","18","5","988","998","10.1039/c9ob02329a","","","0.71073","MoKα","","0.0879","0.05","","","0.1208","0.1546","","","","","","1.067","","","","has coordinates","249027","2020-10-21","18:00:00",""
"7157313","14.0204","0.001","7.9073","0.0005","22.6326","0.0016","90","","103.22","0.007","90","","2442.6","0.3","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H4 F8 N2 O -","- C12 H4 F8 N2 O -","- C96 H32 F64 N16 O8 -","8","1","","Liao, Chunshu; Li, Jianrong; Chen, Xiaoqiong; Lu, Jingjun; Liu, Qiang; Chen, Lu; Huang, Yubing; Li, Yibiao","Selective synthesis of pyridyl pyridones and oxydipyridines by transition-metal-free hydroxylation and arylation of 2-fluoropyridine derivatives.","Organic & biomolecular chemistry","2020","18","6","1185","1193","10.1039/c9ob02661d","","x-ray","0.71073","MoKα","","0.0443","0.036","","","0.0855","0.0912","","","","","","1.041","","","","has coordinates","249039","2020-10-21","18:00:00",""
"7157314","10.9802","0.0018","11.6601","0.0011","10.2792","0.0018","90","","114.43","0.02","90","","1198.2","0.4","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 F6 N2 O -","- C12 H6 F6 N2 O -","- C48 H24 F24 N8 O4 -","4","0.5","","Liao, Chunshu; Li, Jianrong; Chen, Xiaoqiong; Lu, Jingjun; Liu, Qiang; Chen, Lu; Huang, Yubing; Li, Yibiao","Selective synthesis of pyridyl pyridones and oxydipyridines by transition-metal-free hydroxylation and arylation of 2-fluoropyridine derivatives.","Organic & biomolecular chemistry","2020","18","6","1185","1193","10.1039/c9ob02661d","","x-ray","0.71073","MoKα","","0.0459","0.0402","","","0.1021","0.1073","","","","","","1.017","","","","has coordinates","249039","2020-10-21","18:00:00",""
"7157315","18.4757","0.0012","9.7925","0.0005","18.6956","0.0013","90","","90","","90","","3382.5","0.4","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","4-IODO-1-(4-METHOXYPHENYL)-2-(4-NITROPHENYL)-1H-PYRROLE-3-CARBADEHYDE","","- C17 H10 Cl I N2 O3 S0 -","- C17 H10 Cl I N2 O3 -","- C136 H80 Cl8 I8 N16 O24 -","8","2","","Choudhary, Sachin; Yadav, Jyothi; Mamta, ?; Pawar, Amol Prakash; Vanaparthi, Satheeshvarma; Mir, Nisar A.; Iype, Eldhose; Sharma, Ratika; Kant, Rajni; Kumar, Indresh","Sequential multicomponent site-selective synthesis of 4-iodo and 5-iodopyrrole-3-carboxaldehydes from a common set of starting materials by tuning the conditions.","Organic & biomolecular chemistry","2020","18","6","1155","1164","10.1039/c9ob02501d","","","0.71073","MoKα","","0.0804","0.0452","","","0.0987","0.1215","","","","","","1.029","","","","has coordinates","249036","2020-10-21","18:00:00",""
"7157316","6.6656","0.0007","19.4376","0.0015","13.2403","0.0013","90","","104.291","0.011","90","","1662.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 Cl2 I N O -","- C17 H10 Cl2 I N O -","- C68 H40 Cl8 I4 N4 O4 -","4","1","","Choudhary, Sachin; Yadav, Jyothi; Mamta, ?; Pawar, Amol Prakash; Vanaparthi, Satheeshvarma; Mir, Nisar A.; Iype, Eldhose; Sharma, Ratika; Kant, Rajni; Kumar, Indresh","Sequential multicomponent site-selective synthesis of 4-iodo and 5-iodopyrrole-3-carboxaldehydes from a common set of starting materials by tuning the conditions.","Organic & biomolecular chemistry","2020","18","6","1155","1164","10.1039/c9ob02501d","","","0.71073","MoKα","","0.0575","0.0383","","","0.0853","0.099","","","","","","1.069","","","","has coordinates","249036","2020-10-21","18:00:00",""
"7157317","12.1732","0.0005","12.4347","0.0004","21.2275","0.0007","106.423","0.003","90.464","0.003","90.866","0.003","3081.5","0.2","150","","150","","","","","","","","","3","P -1","-P 1","2","cage rearranged ketone","(1R,5S,6aS,8R)-8-methoxy-2a-methyl-4-phenyloctahydro-1,4,5-(epiethane[1,1,2]triyl)cyclopenta[cd]pentalen-2(1H)-one","","- C80 H88 O8 -","- C80 H88 O8 -","- C160 H176 O16 -","2","1","","Kotha, Sambasivarao; Cheekatla, Subba Rao","A new skeletal rearrangement of 1,7-dimethyl Cookson's cage dione catalyzed by a Lewis acid.","Organic & biomolecular chemistry","2020","18","7","1377","1383","10.1039/c9ob02298h","","x-ray","0.71073","MoKα","","0.1132","0.0689","","","0.1438","0.1835","","","","","","1.043","","","","has coordinates","249043","2020-10-21","18:00:00",""
"7157318","6.586","0.0004","17.7133","0.001","10.0216","0.0008","90","","92.235","0.007","90","","1168.23","0.13","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","cage ketone","methyl 4,5a-dimethyl-5-oxooctahydro-1H-1,3-methanocyclobuta[cd]pentalene-6-carboxylate","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Kotha, Sambasivarao; Cheekatla, Subba Rao","A new skeletal rearrangement of 1,7-dimethyl Cookson's cage dione catalyzed by a Lewis acid.","Organic & biomolecular chemistry","2020","18","7","1377","1383","10.1039/c9ob02298h","","x-ray","0.71073","MoKα","","0.0777","0.0558","","","0.1268","0.1468","","","","","","1.041","","","","has coordinates","249043","2020-10-21","18:00:00",""
"7157319","9.3585","0.0001","13.5874","0.0001","17.4681","0.0001","103.374","0.001","91.665","0.001","93.433","0.001","2154.98","0.03","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 F N O2 -","- C12 H10 F N O2 -","- C96 H80 F8 N8 O16 -","8","4","","Kazia, Armands; Melngaile, Renate; Mishnev, Anatoly; Veliks, Janis","Johnson-Corey-Chaykovsky fluorocyclopropanation of double activated alkenes: scope and limitations.","Organic & biomolecular chemistry","2020","18","7","1384","1388","10.1039/c9ob02712b","","","1.54184","CuKα","","0.0537","0.0512","","","0.1593","0.1626","","","","","","1.058","","","","has coordinates","249044","2020-10-21","18:00:00",""
"7157320","18.542","0.0012","4.0333","0.0003","22.2351","0.0015","90","","138.944","0.001","90","","1092.17","0.13","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br F N2 -","- C13 H8 Br F N2 -","- C52 H32 Br4 F4 N8 -","4","1","","Motornov, Vladimir A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L.","Copper-mediated oxidative [3 + 2]-annulation of nitroalkenes and pyridinium imines: efficient synthesis of 3-fluoro- and 3-nitro-pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2020","18","7","1436","1448","10.1039/c9ob02668a","","","0.71073","MoKα","","0.0287","0.0228","","","0.0547","0.0573","","","","","","1.0206","","","","has coordinates","249045","2020-10-21","18:00:00",""
"7157321","3.8943","0.0001","25.4059","0.0006","10.7978","0.0003","90","","98.16","0.001","90","","1057.5","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Bromophenyl)-3-fluoro-pyrazolo[1,5-a]pyridazine","","- C12 H7 Br F N3 -","- C12 H7 Br F N3 -","- C48 H28 Br4 F4 N12 -","4","1","","Motornov, Vladimir A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L.","Copper-mediated oxidative [3 + 2]-annulation of nitroalkenes and pyridinium imines: efficient synthesis of 3-fluoro- and 3-nitro-pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2020","18","7","1436","1448","10.1039/c9ob02668a","","","0.71073","MoKα","","0.0301","0.0235","","","0.0523","0.0554","","","","","","1.06","","","","has coordinates","249045","2020-10-21","18:00:00",""
"7157322","7.5569","0.0007","7.5729","0.0006","15.4076","0.0014","90","","101.729","0.009","90","","863.33","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 N2 O2 -","- C9 H10 N2 O2 -","- C36 H40 N8 O8 -","4","1","","Bhattacharyya, Dipanjan; Nandi, Sekhar; Adhikari, Priyanka; Sarmah, Bikash Kumar; Konwar, Monuranjan; Das, Animesh","Boric acid catalyzed chemoselective reduction of quinolines.","Organic & biomolecular chemistry","2020","18","6","1214","1220","10.1039/c9ob02673h","","","0.71073","MoKα","","0.069","0.0528","","","0.1192","0.1387","","","","","","1.139","","","","has coordinates","249034","2020-10-21","18:00:00",""
"7157323","16.1406","0.0008","12.8442","0.0006","10.0734","0.0005","90","","97.501","0.004","90","","2070.48","0.18","100","0.1","100","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C29 H26 O3 -","- C29 H26 O3 -","- C116 H104 O12 -","4","1","","Li, Mi-Zhuan; Tong, Qi; Han, Wen-Yong; Yang, Si-Yi; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng","Synthesis of chromone-containing polycyclic compounds via palladium-catalyzed [2 + 2 + 1] annulation.","Organic & biomolecular chemistry","2020","18","6","1112","1116","10.1039/c9ob02690h","","x-ray","0.71073","MoKα","","0.036","0.0348","","","0.0895","0.0906","","","","","","1.064","","","","has coordinates","249037","2020-10-21","18:00:00",""
"7157324","14.3416","0.0004","11.0113","0.0003","14.5008","0.0004","90","","105.056","0.003","90","","2211.35","0.11","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 O5 -","- C30 H26 O5 -","- C120 H104 O20 -","4","1","","Li, Mi-Zhuan; Tong, Qi; Han, Wen-Yong; Yang, Si-Yi; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng","Synthesis of chromone-containing polycyclic compounds via palladium-catalyzed [2 + 2 + 1] annulation.","Organic & biomolecular chemistry","2020","18","6","1112","1116","10.1039/c9ob02690h","","x-ray","1.54184","CuKα","","0.05","0.0457","","","0.1227","0.1268","","","","","","1.046","","","","has coordinates","249037","2020-10-21","18:00:00",""
"7157325","10.771","0.0005","12.5336","0.0005","17.4579","0.0007","90","","106.903","0.005","90","","2254.99","0.18","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 O3 -","- C31 H28 O3 -","- C124 H112 O12 -","4","1","","Li, Mi-Zhuan; Tong, Qi; Han, Wen-Yong; Yang, Si-Yi; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng","Synthesis of chromone-containing polycyclic compounds via palladium-catalyzed [2 + 2 + 1] annulation.","Organic & biomolecular chemistry","2020","18","6","1112","1116","10.1039/c9ob02690h","","x-ray","0.71073","MoKα","","0.0685","0.0514","","","0.1114","0.1217","","","","","","1.024","","","","has coordinates","249037","2020-10-21","18:00:00",""
"7157326","11.8871","0.0003","12.0988","0.0004","18.3739","0.0007","92.252","0.003","102.556","0.003","100.001","0.003","2531.96","0.15","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C35 H30 O3 -","- C35 H30 O3 -","- C140 H120 O12 -","4","2","","Li, Mi-Zhuan; Tong, Qi; Han, Wen-Yong; Yang, Si-Yi; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng","Synthesis of chromone-containing polycyclic compounds via palladium-catalyzed [2 + 2 + 1] annulation.","Organic & biomolecular chemistry","2020","18","6","1112","1116","10.1039/c9ob02690h","","x-ray","0.71073","MoKα","","0.0749","0.0553","","","0.1243","0.1389","","","","","","1.004","","","","has coordinates","249037","2020-10-21","18:00:00",""
"7157327","6.28259","0.0001","18.0959","0.0003","34.9828","0.0009","89.6453","0.0018","89.8577","0.0016","83.5587","0.0015","3951.98","0.14","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C25 H26 O4 -","- C25 H26 O4 -","- C200 H208 O32 -","8","4","","Li, Mi-Zhuan; Tong, Qi; Han, Wen-Yong; Yang, Si-Yi; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng","Synthesis of chromone-containing polycyclic compounds via palladium-catalyzed [2 + 2 + 1] annulation.","Organic & biomolecular chemistry","2020","18","6","1112","1116","10.1039/c9ob02690h","","x-ray","0.71073","MoKα","","0.0921","0.0744","","","0.1964","0.2047","","","","","","1.104","","","","has coordinates","249037","2020-10-21","18:00:00",""
"7157328","12.8119","0.0003","20.5439","0.0004","11.4704","0.0002","90","","101.082","0.0009","90","","2962.79","0.1","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H24 Cl2 N O2 P -","- C35 H24 Cl2 N O2 P -","- C140 H96 Cl8 N4 O8 P4 -","4","1","","Gorre, Ramesh; Enagandhula, Damodar; Balasubramanian, Sridhar; Akondi, Srirama Murthy","Visible-light-driven metal-free aerobic synthesis of highly diastereoselective phosphinoylpyrroloindoles.","Organic & biomolecular chemistry","2020","18","7","1354","1358","10.1039/c9ob02730k","","","0.71073","MoKα","","0.1023","0.0596","","","0.132","0.154","","","","","","1.05","","","","has coordinates","249042","2020-10-21","18:00:00",""
"7157329","4.8228","0.0004","15.0261","0.0016","15.5936","0.0015","88.598","0.008","88.036","0.006","82.569","0.007","1119.66","0.19","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H32 Na O8 S -","- C19 H32 Na O8 S -","- C38 H64 Na2 O16 S2 -","2","1","","Bencivenni, Grazia; Moccia, Maria; Ravelli, Andrea; Gillick-Healy, Malachi W; Kelly, Brian G.; Adamo, Mauro F. A.","First enantioselective synthesis of gingesulfonic acids and unequivocal determination of their absolute stereochemistry.","Organic & biomolecular chemistry","2020","18","6","1091","1094","10.1039/c9ob02662b","","x-ray","1.54178","CuKα","","0.1298","0.1107","","","0.299","0.3125","","","","","","1.094","","","","has coordinates,has disorder","249041","2020-10-21","18:00:00",""
"7157330","7.345","0.005","7.435","0.006","11.625","0.009","74.87","0.03","89.96","0.03","65.91","0.03","555.4","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 N4 O2 -","- C11 H10 N4 O2 -","- C22 H20 N8 O4 -","2","1","","Balam-Villarreal, J A; López-Mayorga, B J; Gallardo-Rosas, D; Toscano, R. A.; Carreón-Castro, M P; Basiuk, V. A.; Cortés-Guzmán, F; López-Cortés, J G; Ortega-Alfaro, M C","π-Extended push-pull azo-pyrrole photoswitches: synthesis, solvatochromism and optical band gaps.","Organic & biomolecular chemistry","2020","18","8","1657","1670","10.1039/c9ob02410g","","","0.71073","MoKα","","0.1495","0.093","","","0.2128","0.2433","","","","","","1.126","","","","has coordinates,has disorder","249022","2020-10-21","18:00:00",""
"7157331","11.5238","0.001","9.5869","0.0009","12.6216","0.0011","90","","106.002","0.003","90","","1340.4","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 I N3 -","- C13 H14 I N3 -","- C52 H56 I4 N12 -","4","1","","Balam-Villarreal, J A; López-Mayorga, B J; Gallardo-Rosas, D; Toscano, R. A.; Carreón-Castro, M P; Basiuk, V. A.; Cortés-Guzmán, F; López-Cortés, J G; Ortega-Alfaro, M C","π-Extended push-pull azo-pyrrole photoswitches: synthesis, solvatochromism and optical band gaps.","Organic & biomolecular chemistry","2020","18","8","1657","1670","10.1039/c9ob02410g","","","0.71073","MoKα","","0.0453","0.0307","","","0.07","0.077","","","","","","1.048","","","","has coordinates","249022","2020-10-21","18:00:00",""
"7157332","14.409","0.002","7.2189","0.001","17.976","0.003","90","","107.935","0.007","90","","1779","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F3 N3 -","- C20 H18 F3 N3 -","- C80 H72 F12 N12 -","4","1","","Balam-Villarreal, J A; López-Mayorga, B J; Gallardo-Rosas, D; Toscano, R. A.; Carreón-Castro, M P; Basiuk, V. A.; Cortés-Guzmán, F; López-Cortés, J G; Ortega-Alfaro, M C","π-Extended push-pull azo-pyrrole photoswitches: synthesis, solvatochromism and optical band gaps.","Organic & biomolecular chemistry","2020","18","8","1657","1670","10.1039/c9ob02410g","","","0.71073","MoKα","","0.0642","0.0461","","","0.1283","0.1431","","","","","","1.027","","","","has coordinates,has disorder","249022","2020-10-21","18:00:00",""
"7157333","8.564","0.004","22.313","0.011","25.094","0.012","90","","93.048","0.007","90","","4788","4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N3 -","- C13 H15 N3 -","- C208 H240 N48 -","16","4","","Balam-Villarreal, J A; López-Mayorga, B J; Gallardo-Rosas, D; Toscano, R. A.; Carreón-Castro, M P; Basiuk, V. A.; Cortés-Guzmán, F; López-Cortés, J G; Ortega-Alfaro, M C","π-Extended push-pull azo-pyrrole photoswitches: synthesis, solvatochromism and optical band gaps.","Organic & biomolecular chemistry","2020","18","8","1657","1670","10.1039/c9ob02410g","","","0.71073","MoKα","","0.2051","0.069","","","0.1283","0.1726","","","","","","0.998","","","","has coordinates","249022","2020-10-21","18:00:00",""
"7157334","5.6493","0.0002","14.4444","0.0007","21.6781","0.0009","90","","90","","90","","1768.95","0.13","297.6","0.1","297.6","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl F3 O4 -","- C16 H16 Cl F3 O4 -","- C64 H64 Cl4 F12 O16 -","4","1","","Yang, Hongzhou; Wang, Qingqing; Luo, Yuan; Ye, Ling; Li, Xinying; Chen, Feng; Zhao, Zhigang; Li, Xuefeng","Enantioselective synthesis of trifluoromethyl substituted cyclohexanones via an organocatalytic cascade Michael/aldol reaction.","Organic & biomolecular chemistry","2020","18","8","1607","1611","10.1039/d0ob00004c","","x-ray","1.54184","CuKα","","0.083","0.0765","","","0.1951","0.2084","","","","","","1.034","","","","has coordinates,has disorder","249025","2020-10-21","18:00:00",""
"7157335","17.4373","0.0011","5.6433","0.0003","16.0752","0.0009","90","","103.086","0.006","90","","1540.78","0.16","157","10","157","10","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C14 H15 F3 O4 S -","- C14 H15 F3 O4 S -","- C56 H60 F12 O16 S4 -","4","1","","Yang, Hongzhou; Wang, Qingqing; Luo, Yuan; Ye, Ling; Li, Xinying; Chen, Feng; Zhao, Zhigang; Li, Xuefeng","Enantioselective synthesis of trifluoromethyl substituted cyclohexanones via an organocatalytic cascade Michael/aldol reaction.","Organic & biomolecular chemistry","2020","18","8","1607","1611","10.1039/d0ob00004c","","x-ray","1.54184","CuKα","","0.0851","0.0831","","","0.222","0.2261","","","","","","1.052","","","","has coordinates","249025","2020-10-21","18:00:00",""
"7157336","18.0169","0.0004","19.1954","0.0005","9.2687","0.0002","90","","90","","90","","3205.5","0.13","173","0.1","173","0.1","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C31 H34 B Cl2 Co F4 N P S -","- C31 H34 B Cl2 Co F4 N P S -","- C124 H136 B4 Cl8 Co4 F16 N4 P4 S4 -","4","1","","Liu, Xiangyu; Song, Heng; Zhai, Xiaofang; Tung, Chen-Ho; Wang, Wenguang","Cobalt-catalyzed regioselective hydrohydrazination of epoxides.","Organic & biomolecular chemistry","2020","18","8","1572","1576","10.1039/d0ob00037j","","x-ray","1.54184","CuKα","","0.0608","0.052","","","0.1146","0.1241","","","","","","1.107","","","","has coordinates","249024","2020-10-21","18:00:00",""
"7157337","23.4012","0.0007","23.4012","0.0007","5.73617","0.00017","90","","90","","120","","2720.38","0.14","173","0.1","173","0.1","","","","","","","","4","R 3 :H","R 3","146","","","","- C14 H3 N2 O -","- C14 H3 N2 O -","- C126 H27 N18 O9 -","9","1","","Liu, Xiangyu; Song, Heng; Zhai, Xiaofang; Tung, Chen-Ho; Wang, Wenguang","Cobalt-catalyzed regioselective hydrohydrazination of epoxides.","Organic & biomolecular chemistry","2020","18","8","1572","1576","10.1039/d0ob00037j","","x-ray","1.54184","CuKα","","0.0746","0.0682","","","0.1882","0.2135","","","","","","1.102","","","","has coordinates","249024","2020-10-21","18:00:00",""
"7157338","17.739","0.0004","10.70121","0.00019","33.541","0.0007","90","","90","","90","","6367","0.2","172.99","0.1","172.99","0.1","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C68 H74 B2 Co2 F8 N4 P2 S2 -","- C68 H74 B2 Co2 F8 N4 P2 S2 -","- C272 H296 B8 Co8 F32 N16 P8 S8 -","4","1","","Liu, Xiangyu; Song, Heng; Zhai, Xiaofang; Tung, Chen-Ho; Wang, Wenguang","Cobalt-catalyzed regioselective hydrohydrazination of epoxides.","Organic & biomolecular chemistry","2020","18","8","1572","1576","10.1039/d0ob00037j","","x-ray","1.54184","CuKα","","0.0742","0.0608","","","0.147","0.1681","","","","","","1.145","","","","has coordinates","249024","2020-10-21","18:00:00",""
"7157339","10.6986","0.0005","11.3012","0.0005","14.4283","0.0006","81.323","0.003","89.73","0.003","61.927","0.002","1517.22","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","2","","Chandrasekhar, Attoor; Sankararaman, Sethuraman","Synthesis of indolo- and pyrrolo[1,2-a]quinoxalinones through a palladium-catalyzed oxidative carbonylation of the C<sub>2</sub> position of indole.","Organic & biomolecular chemistry","2020","18","8","1612","1622","10.1039/c9ob02703c","","","0.71073","MoKα","","0.0708","0.0446","","","0.1081","0.1287","","","","","","1.027","","","","has coordinates","249019","2020-10-21","18:00:00",""
"7157340","7.48","0.006","10.122","0.007","15.888","0.011","90","","96.16","0.03","90","","1196","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Chandrasekhar, Attoor; Sankararaman, Sethuraman","Synthesis of indolo- and pyrrolo[1,2-a]quinoxalinones through a palladium-catalyzed oxidative carbonylation of the C<sub>2</sub> position of indole.","Organic & biomolecular chemistry","2020","18","8","1612","1622","10.1039/c9ob02703c","","","0.71073","MoKα","","0.0555","0.0422","","","0.105","0.1197","","","","","","1.068","","","","has coordinates","249019","2020-10-21","18:00:00",""
"7157341","6.928","0.0002","10.494","0.0003","15.399","0.0004","90","","102.976","0.001","90","","1090.96","0.05","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Chandrasekhar, Attoor; Sankararaman, Sethuraman","Synthesis of indolo- and pyrrolo[1,2-a]quinoxalinones through a palladium-catalyzed oxidative carbonylation of the C<sub>2</sub> position of indole.","Organic & biomolecular chemistry","2020","18","8","1612","1622","10.1039/c9ob02703c","","","0.71073","MoKα","","0.0738","0.0622","","","0.1624","0.18","","","","","","1.092","","","","has coordinates","249019","2020-10-21","18:00:00",""
"7157342","8.0885","0.0016","14.698","0.003","8.985","0.0018","90","","101.21","0.03","90","","1047.8","0.4","163","2","163.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","(2'S,3R,3'S)-3'-(2-Bromophenyl)-1''-phenyldispiro[indoline-3,1'-cyclopropane-2',3''-pyrrolidine]-2,4'',5''-trione","","- C25 H17 Br N2 O3 -","- C25 H17 Br N2 O3 -","- C50 H34 Br2 N4 O6 -","2","1","","Wen, Jiang-Bo; Du, Da-Ming","Squaramide-catalysed asymmetric cascade reactions of 2,3-dioxopyrrolidines with 3-chlorooxindoles.","Organic & biomolecular chemistry","2020","18","8","1647","1656","10.1039/c9ob02663k","","","0.71073","MoKα","","0.0327","0.0318","","","0.0781","0.0789","","","","","","1.082","","","","has coordinates","249020","2020-10-21","18:00:00",""
"7157343","9.5271","0.0002","15.9359","0.0002","18.6928","0.0004","81.305","0.001","75.309","0.002","88.641","0.001","2713.35","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H60 Br2 N2 O6 -","- C60 H60 Br2 N2 O6 -","- C120 H120 Br4 N4 O12 -","2","1","","Zhao, Mei-Xin; Xiang, Juan; Zhao, Zi-Qiang; Zhao, Xiao-Li; Shi, Min","Asymmetric synthesis of dihydrocoumarins via catalytic sequential 1,6-addition/transesterification of α-isocyanoacetates with para-quinone methides.","Organic & biomolecular chemistry","2020","18","8","1637","1646","10.1039/c9ob02652e","","","1.54184","CuKα","","0.0618","0.0548","","","0.1376","0.1416","","","","","","1.095","","","","has coordinates,has disorder","249021","2020-10-21","18:00:00",""
"7157344","11.1329","0.0004","11.9307","0.0005","17.5044","0.0007","79.39","0.003","89.757","0.002","77.142","0.003","2226.3","0.16","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","5-Azaindole","methyl 1-benzyl-4-(1-benzyl-1H-pyrrol-2-yl)-1H-pyrrolo[3,2-c]pyridine-6-carboxylate","","- C27 H23 N3 O2 -","- C54 H42 N6 O4 -","- C108 H84 N12 O8 -","2","1","","Dudhe, Premansh; Venkatasubbaiah, Krishnan; Pathak, Biswarup; Chelvam, Venkatesh","Serendipitous base catalysed condensation-heteroannulation of iminoesters: a regioselective route to the synthesis of 4,6-disubstituted 5-azaindoles.","Organic & biomolecular chemistry","2020","18","8","1582","1587","10.1039/c9ob02657f","","","0.71073","MoKα","","0.1432","0.0668","","","0.1757","0.2216","","","","","","1.013","","","","has coordinates","249026","2020-10-21","18:00:00",""
"7157345","20.236","0.012","5.793","0.003","14.906","0.008","90","","90","","90","","1747.4","1.7","302","2","302","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H23 N O -","- C21 H23 N O -","- C84 H92 N4 O4 -","4","1","","Ashitha, Kizhakkan Thiruthi; Vinaya, Puthiya Purayil; Krishna, Ajay; Vincent, Deepthy Cheeran; Jalaja, Renjitha; Varughese, Sunil; Balappa Somappa, Sasidhar","I<sub>2</sub>/TBHP mediated diastereoselective synthesis of spiroaziridines.","Organic & biomolecular chemistry","2020","18","8","1588","1593","10.1039/c9ob02711d","","","0.71073","MoKα","","0.0556","0.0472","","","0.1115","0.1172","","","","","","1.011","","","","has coordinates","249023","2020-10-21","18:00:00",""
"7157346","9.842","0.004","9.949","0.004","11.468","0.005","100.231","0.006","105.032","0.006","95.125","0.004","1056.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10.5 H10.5 N10.5 O10.5 -","- C29 H23 N O -","- C58 H46 N2 O2 -","2","1","","Ashitha, Kizhakkan Thiruthi; Vinaya, Puthiya Purayil; Krishna, Ajay; Vincent, Deepthy Cheeran; Jalaja, Renjitha; Varughese, Sunil; Balappa Somappa, Sasidhar","I<sub>2</sub>/TBHP mediated diastereoselective synthesis of spiroaziridines.","Organic & biomolecular chemistry","2020","18","8","1588","1593","10.1039/c9ob02711d","","","0.71073","MoKα","","0.093","0.0511","","","0.1321","0.1921","","","","","","0.658","","","","has coordinates","249023","2020-10-21","18:00:00",""
"7157347","7.9131","0.0003","9.8841","0.0005","26.9679","0.0012","90","","91.765","0.002","90","","2108.26","0.16","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H16 Br N O2 S -","- C27 H16 Br N O2 S -","- C108 H64 Br4 N4 O8 S4 -","4","1","","Zhou, Nengneng; Wu, Meixia; Zhang, Man; Zhou, Xiaoqiang; Zhou, Wei","TBPB-initiated cascade cyclization of 3-arylethynyl-[1,1'-biphenyl]-2-carbonitriles with sulfinic acids: access to sulfone-containing cyclopenta[gh]phenanthridines.","Organic & biomolecular chemistry","2020","18","9","1733","1737","10.1039/d0ob00119h","","","0.71073","MoKα","","0.0532","0.0441","","","0.1039","0.1105","","","","","","1.074","","","","has coordinates","257908","2020-10-21","18:00:00",""
"7157348","11.157","0.003","11.335","0.004","13.795","0.004","79.59","0.03","67.45","0.02","60.75","0.014","1405.7","0.8","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 Br N O3 -","- C32 H36 Br N O3 -","- C64 H72 Br2 N2 O6 -","2","1","","Nan, Guang-Ming; Li, Xue; Yao, Tian-Yu; Yan, Ting-Xun; Wen, Li-Rong; Li, Ming","InCl<sub>3</sub>-catalyzed 5-exo-dig cyclization/1,6-conjugate addition of N-propargylamides with p-QMs to construct oxazole derivatives.","Organic & biomolecular chemistry","2020","18","9","1780","1784","10.1039/c9ob02651g","","","0.71073","MoKα","","0.0795","0.064","","","0.1122","0.1198","","","","","","1.153","","","","has coordinates","257910","2020-10-21","18:00:00",""
"7157349","7.4928","0.0007","8.7755","0.0011","11.1633","0.0011","84.247","0.009","78.666","0.008","76.675","0.01","699.17","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H21 N -","- C16 H21 N -","- C32 H42 N2 -","2","1","","Ali, Saghir; Gattu, Radhakrishna; Singh, Varun; Mondal, Santa; Khan, Abu T.; Dubey, Gurudutt; Bharatam, P. V.","Reaction behaviour of arylamines with nitroalkenes in the presence of bismuth(iii) triflate: an easy access to 2,3-dialkylquinolines.","Organic & biomolecular chemistry","2020","18","9","1785","1793","10.1039/c9ob02214g","","","0.71073","MoKα","","0.1153","0.0588","","","0.1354","0.1794","","","","","","1.039","","","","has coordinates","257909","2020-10-21","18:00:00",""
"7157350","6.7495","0.0004","24.3185","0.0012","14.4757","0.0009","90","","95.466","0.003","90","","2365.2","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 Br O4 -","- C25 H31 Br O4 -","- C100 H124 Br4 O16 -","4","2","","Miao, Jianzhuang; Zheng, Yi-Xuan; Wang, Linna; Lu, Shi-Chao; Zhang, Shi-Peng; Gong, Ya-Ling; Xu, Shu","Toward the total synthesis of grayanane diterpene mollanol A by a Prins [3 + 2] strategy.","Organic & biomolecular chemistry","2020","18","10","1877","1880","10.1039/d0ob00160k","","","1.34139","GaKα","","0.0418","0.0317","","","0.0761","0.0825","","","","","","1.017","","","","has coordinates","250357","2020-10-21","18:00:00",""
"7157351","6.7572","0.0004","14.284","0.0007","23.8212","0.0014","90","","90","","90","","2299.2","0.2","170","2","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Br O4 -","- C25 H31 Br O4 -","- C100 H124 Br4 O16 -","4","1","","Miao, Jianzhuang; Zheng, Yi-Xuan; Wang, Linna; Lu, Shi-Chao; Zhang, Shi-Peng; Gong, Ya-Ling; Xu, Shu","Toward the total synthesis of grayanane diterpene mollanol A by a Prins [3 + 2] strategy.","Organic & biomolecular chemistry","2020","18","10","1877","1880","10.1039/d0ob00160k","","","0.71073","MoKα","","0.0966","0.0514","","","0.087","0.1015","","","","","","1.03","","","","has coordinates","250357","2020-10-21","18:00:00",""
"7157352","16.2453","0.0004","8.9674","0.0002","9.7074","0.0002","90","","93.2014","0.001","90","","1411.95","0.06","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Cl N O3 -","- C17 H10 Cl N O3 -","- C68 H40 Cl4 N4 O12 -","4","1","","Upare, Atul; Chouhan, Neeraj Kumar; Ramaraju, Andhavaram; Sridhar, Balasubramanian; Bathula, Surendar Reddy","Access to pyrrolo[2,1-a]isoindolediones from oxime acetates and ninhydrin via Cu(i)-mediated domino annulations.","Organic & biomolecular chemistry","2020","18","9","1743","1746","10.1039/d0ob00058b","","","0.71073","MoKα","","0.1071","0.062","","","0.1299","0.1423","","","","","","1.441","","","","has coordinates","257907","2020-10-21","18:00:00",""
"7157353","10.4497","0.0003","14.6303","0.0004","15.2786","0.0005","90","","108.211","0.002","90","","2218.83","0.12","200","1","200","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H32 N6 O5 -","- C16 H32 N6 O5 -","- C64 H128 N24 O20 -","4","2","","Tonali, Nicolo; Correia, Isabelle; Lesma, Jacopo; Bernadat, Guillaume; Ongeri, Sandrine; Lequin, Olivier","Introducing sequential aza-amino acids units induces repeated β-turns and helical conformations in peptides.","Organic & biomolecular chemistry","2020","18","18","3452","3458","10.1039/c9ob02654a","","","1.54178","CuKα","","0.0371","0.0347","","","0.0939","0.0958","","","","","","1.037","","","","has coordinates","252921","2020-10-21","18:00:00",""
"7157354","7.3978","0.0004","11.414","0.0004","17.0191","0.0008","90","","90","","90","","1437.07","0.11","151","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","167-C.HI","","","- C7.5 H8.5 I0.5 N -","- C7.5 H8.5 I0.5 N -","- C60 H68 I4 N8 -","8","1","","Konstandaras, Nicholas; Dunn, Michelle H.; Luis, Ena T.; Cole, Marcus L.; Harper, Jason B.","The pK<sub>a</sub> values of N-aryl imidazolinium salts, their higher homologues, and formamidinium salts in dimethyl sulfoxide.","Organic & biomolecular chemistry","2020","18","10","1910","1917","10.1039/d0ob00036a","","","0.71073","MoKα","","0.0244","0.0186","","","0.0454","0.0482","","","","","","1.049","","","","has coordinates","250358","2020-10-21","18:00:00",""
"7157355","16.678","0.0005","26.824","0.0008","11.0601","0.0003","90","","124.701","0.001","90","","4067.9","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","166-B.HI half dichloromethane solvate","","","- C19.5 H26 Cl I N2 -","- C19.5 H26 Cl I N2 -","- C156 H208 Cl8 I8 N16 -","8","1","","Konstandaras, Nicholas; Dunn, Michelle H.; Luis, Ena T.; Cole, Marcus L.; Harper, Jason B.","The pK<sub>a</sub> values of N-aryl imidazolinium salts, their higher homologues, and formamidinium salts in dimethyl sulfoxide.","Organic & biomolecular chemistry","2020","18","10","1910","1917","10.1039/d0ob00036a","","","0.71073","MoKα","","0.0408","0.0297","","","0.0611","0.0689","","","","","","1.033","","","","has coordinates","250358","2020-10-21","18:00:00",""
"7157356","10.244","0.002","9.6663","0.0019","16.765","0.003","90","","92.91","0.03","90","","1658","0.5","150","2","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 Se -","- C21 H16 N2 Se -","- C84 H64 N8 Se4 -","4","1","","Yao, Hai-Feng; Li, Fang-Hui; Li, Jian; Wang, Shun-Yi; Ji, Shun-Jun","Iron(iii) chloride-promoted cyclization of α,β-alkynic tosylhydrazones with diselenides: synthesis of 4-(arylselanyl)-1H-pyrazoles.","Organic & biomolecular chemistry","2020","18","10","1987","1993","10.1039/d0ob00048e","","","0.71073","MoKα","","0.0314","0.0295","","","0.0818","0.0828","","","","","","1.169","","","","has coordinates","250360","2020-10-21","18:00:00",""
"7157357","9.4156","0.0005","14.0062","0.0006","11.154","0.0006","90","","104.097","0.002","90","","1426.66","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N O -","- C21 H15 N O -","- C84 H60 N4 O4 -","4","1","","Dong, Shanliang; Huang, Jingjing; Sha, Hongkai; Qiu, Lihua; Hu, Wenhao; Xu, Xinfang","Copper-catalyzed formal [1 + 2 + 2]-annulation of alkyne-tethered diazoacetates and pyridines: access to polycyclic indolizines.","Organic & biomolecular chemistry","2020","18","10","1926","1932","10.1039/d0ob00222d","","","0.71073","MoKα","","0.061","0.0402","","","0.0847","0.1001","","","","","","1.038","","","","has coordinates","250361","2020-10-21","18:00:00",""
"7157358","7.2265","0.0006","13.6852","0.0016","32.525","0.003","90","","90","","90","","3216.6","0.5","120","2","119.97","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C168 H120 N8 O24 -","8","1","","Dong, Shanliang; Huang, Jingjing; Sha, Hongkai; Qiu, Lihua; Hu, Wenhao; Xu, Xinfang","Copper-catalyzed formal [1 + 2 + 2]-annulation of alkyne-tethered diazoacetates and pyridines: access to polycyclic indolizines.","Organic & biomolecular chemistry","2020","18","10","1926","1932","10.1039/d0ob00222d","","","0.71073","MoKα","","0.0893","0.0465","","","0.1214","0.1596","","","","","","1.093","","","","has coordinates","250361","2020-10-21","18:00:00",""
"7157359","9.0158","0.0002","10.7244","0.0003","32.8321","0.0009","90","","90","","90","","3174.5","0.14","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C152 H136 N8 O24 -","8","1","","Su, Yingpeng; Zhang, Rong; Xue, Wenxuan; Liu, Xuan; Zhao, Yanan; Wang, Ke-Hu; Huang, Danfeng; Huo, Congde; Hu, Yulai","Visible-light-promoted acyl radical cascade reaction for accessing acylated isoquinoline-1,3(2H,4H)-dione derivatives.","Organic & biomolecular chemistry","2020","18","10","1940","1948","10.1039/d0ob00086h","","","0.71073","MoKα","","0.0667","0.0572","","","0.1723","0.181","","","","","","1.082","","","","has coordinates","250359","2020-10-21","18:00:00",""
"7157360","8.377","0.0005","23.6227","0.0013","12.1418","0.0007","90","","109.819","0.007","90","","2260.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N3 O3 S -","- C25 H23 N3 O3 S -","- C100 H92 N12 O12 S4 -","4","1","","Quan, Bao-Xue; Zhuo, Jun-Rui; Zhao, Jian-Qiang; Zhang, Ming-Liang; Zhou, Ming-Qiang; Zhang, Xiao-Mei; Yuan, Wei-Cheng","[4 + 1] annulation reaction of cyclic pyridinium ylides with in situ generated azoalkenes for the construction of spirocyclic skeletons.","Organic & biomolecular chemistry","2020","18","10","1886","1891","10.1039/c9ob02733e","","x-ray","1.54184","CuKα","","0.0599","0.0453","","","0.1112","0.1235","","","","","","1.05","","","","has coordinates","250362","2020-10-21","18:00:00",""
"7157361","11.3284","0.0005","8.7436","0.0006","20.6742","0.0009","90","","96.103","0.004","90","","2036.19","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O3 S -","- C24 H20 N2 O3 S -","- C96 H80 N8 O12 S4 -","4","1","","Quan, Bao-Xue; Zhuo, Jun-Rui; Zhao, Jian-Qiang; Zhang, Ming-Liang; Zhou, Ming-Qiang; Zhang, Xiao-Mei; Yuan, Wei-Cheng","[4 + 1] annulation reaction of cyclic pyridinium ylides with in situ generated azoalkenes for the construction of spirocyclic skeletons.","Organic & biomolecular chemistry","2020","18","10","1886","1891","10.1039/c9ob02733e","","x-ray","1.54184","CuKα","","0.0669","0.0476","","","0.1197","0.1362","","","","","","1.03","","","","has coordinates","250362","2020-10-21","18:00:00",""
"7157362","13.2399","0.0005","15.4494","0.0006","15.6625","0.0006","80.635","0.002","85.048","0.002","74.885","0.002","3048.4","0.2","99.98","","99.98","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H70 N2 O23 -","- C70 H70 N2 O23 -","- C140 H140 N4 O46 -","2","1","","Yao, Huan; Wang, Xiaoping; Xie, Mo; Wang, Yu-Mei; Quan, Mao; Yang, Liu-Pan; Jiang, Wei","Mono-functionalized derivatives and revised configurational assignment of amide naphthotubes.","Organic & biomolecular chemistry","2020","18","10","1900","1909","10.1039/d0ob00290a","","","1.54178","CuKα","","0.0656","0.0582","","","0.1663","0.1764","","","","","","1.04","","","","has coordinates,has disorder","250356","2020-10-21","18:00:00",""
"7157363","9.7417","0.0004","11.8403","0.0005","11.9923","0.0005","96.716","0.003","99.839","0.003","94.798","0.003","1345.94","0.1","100","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C65 H54 N2 O17 -","- C65 H54 N2 O17 -","- C65 H54 N2 O17 -","1","0.5","","Yao, Huan; Wang, Xiaoping; Xie, Mo; Wang, Yu-Mei; Quan, Mao; Yang, Liu-Pan; Jiang, Wei","Mono-functionalized derivatives and revised configurational assignment of amide naphthotubes.","Organic & biomolecular chemistry","2020","18","10","1900","1909","10.1039/d0ob00290a","","x-ray","1.54178","CuKα","","0.1041","0.0848","","","0.2376","0.2558","","","","","","1.055","","","","has coordinates,has disorder","250356","2020-10-21","18:00:00",""
"7157364","15.4706","0.0003","42.34","0.0009","19.1101","0.0004","90","","105.106","0.001","90","","12085.1","0.4","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C65.5 H55 Cl N2 O16 -","- C65.5 H55 Cl N2 O16 -","- C524 H440 Cl8 N16 O128 -","8","4","","Yao, Huan; Wang, Xiaoping; Xie, Mo; Wang, Yu-Mei; Quan, Mao; Yang, Liu-Pan; Jiang, Wei","Mono-functionalized derivatives and revised configurational assignment of amide naphthotubes.","Organic & biomolecular chemistry","2020","18","10","1900","1909","10.1039/d0ob00290a","","x-ray","1.54178","CuKα","","0.1527","0.1097","","","0.3002","0.3468","","","","","","1.065","","","","has coordinates","296876","2024-12-16","17:34:43",""
"7157365","18.6966","0.001","19.0196","0.001","18.8502","0.001","90","","111.438","0.003","90","","6239.4","0.6","100.03","","100.03","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C68 H65 N3 O21 -","- C68 H65 N3 O21 -","- C272 H260 N12 O84 -","4","1","","Yao, Huan; Wang, Xiaoping; Xie, Mo; Wang, Yu-Mei; Quan, Mao; Yang, Liu-Pan; Jiang, Wei","Mono-functionalized derivatives and revised configurational assignment of amide naphthotubes.","Organic & biomolecular chemistry","2020","18","10","1900","1909","10.1039/d0ob00290a","","","1.54178","CuKα","","0.0869","0.0715","","","0.189","0.2028","","","","","","1.034","","","","has coordinates,has disorder","250356","2020-10-21","18:00:00",""
"7157366","5.9234","0.001","9.2189","0.0014","19.396","0.003","90","","92.203","0.004","90","","1058.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C44 H48 N8 O4 -","4","1","","Xing, Naiguo; Huang, Jiangkun; Wang, Peng; Luo, Lan; Zheng, Shilong; He, Ling","Novel one-pot synthesis of imidazolinones from esters: a concise synthesis of GSK2137305.","Organic & biomolecular chemistry","2020","18","11","2175","2181","10.1039/c9ob02743b","","","0.71073","MoKα","","0.0581","0.0435","","","0.1057","0.1133","","","","","","1.047","","","","has coordinates","250371","2020-10-21","18:00:00",""
"7157367","5.3125","0.0002","12.3867","0.0005","13.7161","0.0006","90","","90.529","0.003","90","","902.54","0.06","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","{1-(Cyclohexyloxy)-1,3,3a,9a-tetrahydrofuro[3,4-b][1,4]benzodioxin-1- yl}methanol","","- C19 H26 O5 -","- C19 H26 O5 -","- C38 H52 O10 -","2","1","","Huang, Bo-Shun; Lowary, Todd L.","β-Selective xylulofuranosylation via a conformationally-restricted glycosyl donor.","Organic & biomolecular chemistry","2020","18","12","2264","2273","10.1039/d0ob00260g","","","1.54178","CuKα","","0.0966","0.0828","","","0.2137","0.2221","","","","","","1.009","","","","has coordinates","250374","2020-10-21","18:00:00",""
"7157368","15.1789","0.0004","11.1406","0.0003","15.2829","0.0005","90","","96.945","0.003","90","","2565.41","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 N5 O4 -","- C30 H23 N5 O4 -","- C120 H92 N20 O16 -","4","1","","Shoji, Taku; Iida, Nanami; Yamazaki, Akari; Ariga, Yukino; Ohta, Akira; Sekiguchi, Ryuta; Nagahata, Tatsuki; Nagasawa, Takuya; Ito, Shunji","Synthesis of phthalimides cross-conjugated with an azulene ring, and their structural, optical and electrochemical properties.","Organic & biomolecular chemistry","2020","18","12","2274","2282","10.1039/d0ob00164c","","","0.71075","MoKα","","0.0776","0.0572","","","0.1221","0.1321","","","","","","1.036","","","","has coordinates,has disorder","250375","2020-10-21","18:00:00",""
"7157369","12.1083","0.0006","18.362","0.001","11.0509","0.0006","90","","111.208","0.006","90","","2290.6","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Br2 O5 -","- C25 H24 Br2 O5 -","- C100 H96 Br8 O20 -","4","1","","Indu, Satrajit; Telore, Rahul D.; Kaliappan, Krishna P.","Construction of key building blocks towards the synthesis of cortistatins.","Organic & biomolecular chemistry","2020","18","13","2432","2446","10.1039/d0ob00170h","","x-ray","0.71073","MoKα","","0.0706","0.0477","","","0.0941","0.1032","","","","","","1.093","","","","has coordinates","250369","2020-10-21","18:00:00",""
"7157370","5.9119","0.0018","15.078","0.005","23.745","0.007","90","","90","","90","","2116.6","1.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N O -","- C24 H31 N O -","- C96 H124 N4 O4 -","4","1","","Cao, An-Zhu; Xiao, Yu-Ting; Wu, Yan-Chen; Song, Ren-Jie; Xie, Ye-Xiang; Li, Jin-Heng","Copper-catalyzed C-H [3 + 2] annulation of N-substituted anilines with α-carbonyl alkyl bromides via C(sp<sup>3</sup>)-Br/C(sp<sup>2</sup>)-H functionalization.","Organic & biomolecular chemistry","2020","18","11","2170","2174","10.1039/d0ob00399a","","","0.71073","MoKα","","0.0502","0.0435","","","0.1197","0.126","","","","","","1.014","","","","has coordinates","250372","2020-10-21","18:00:00",""
"7157371","16.093","0.0001","13.1541","0.0001","16.9863","0.0001","90","","99.884","0.001","90","","3542.44","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","pyrrole","1-(5-(1H-benzo[d][1,2,3]triazole-1-carbonyl)-4-(4-bromophenyl)-2-methyl-1H-pyrrol-3-yl)ethan-1-one","","- C20 H15 Br N4 O2 -","- C20 H15 Br N4 O2 -","- C160 H120 Br8 N32 O16 -","8","2","","Galenko, Ekaterina E.; Shakirova, Firuza M.; Bodunov, Vladimir A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","1-(2H-Azirine-2-carbonyl)benzotriazoles: building blocks for the synthesis of pyrrole-containing heterocycles.","Organic & biomolecular chemistry","2020","18","12","2283","2296","10.1039/d0ob00206b","","","1.54184","CuKα","","0.0349","0.0327","","","0.0875","0.0891","","","","","","1.033","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7157372","10.939","0.007","5.285","0.003","35.06","0.03","90","","95.01","0.02","90","","2019","2","173","","173","","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C20 H32 F6 -","- C20 H32 F6 -","- C80 H128 F24 -","4","1","","Al-Maharik, Nawaf; Cordes, David B.; Slawin, Alexandra M. Z.; Bühl, Michael; O'Hagan, David","Probing the helical integrity of multivicinal all-syn-fluoro alkanes.","Organic & biomolecular chemistry","2020","18","5","878","887","10.1039/c9ob02647a","","","1.54187","CuKα","","0.0875","0.0631","","","0.1541","0.1613","","","","","","0.894","","","","has coordinates","248785","2020-10-21","18:00:00",""
"7157373","10.2647","0.0003","11.6265","0.0004","13.2263","0.0004","74.145","0.002","82.775","0.002","72.328","0.002","1445.18","0.08","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H26 B Cl2 F4 N3 -","- C33 H26 B Cl2 F4 N3 -","- C66 H52 B2 Cl4 F8 N6 -","2","1","","Diaz-Rodriguez, Roberto M; Burke, Luke; Robertson, Katherine N.; Thompson, Alison","Synthesis, properties and reactivity of BCl<sub>2</sub> aza-BODIPY complexes and salts of the aza-dipyrrinato scaffold.","Organic & biomolecular chemistry","2020","18","11","2139","2147","10.1039/d0ob00272k","","","0.71073","MoKα","","0.0983","0.0525","","","0.1279","0.1513","","","","","","1.004","","","","has coordinates","250370","2020-10-21","18:00:00",""
"7157374","9.429","0.002","10.505","0.003","13.733","0.003","72.898","0.003","88.384","0.003","80.368","0.003","1281.5","0.5","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H50 Br2 Cl2 N6 -","- C65 H50 Br2 Cl2 N6 -","- C65 H50 Br2 Cl2 N6 -","1","0.5","","Diaz-Rodriguez, Roberto M; Burke, Luke; Robertson, Katherine N.; Thompson, Alison","Synthesis, properties and reactivity of BCl<sub>2</sub> aza-BODIPY complexes and salts of the aza-dipyrrinato scaffold.","Organic & biomolecular chemistry","2020","18","11","2139","2147","10.1039/d0ob00272k","","","0.71073","MoKα","","0.1254","0.0588","","","0.0867","0.1048","","","","","","0.956","","","","has coordinates,has disorder","250370","2020-10-21","18:00:00",""
"7157375","10.9702","0.0011","12.8749","0.0013","13.9596","0.0014","67.647","0.001","67.729","0.001","88.548","0.001","1671.1","0.3","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H34 B N3 -","- C46 H34 B N3 -","- C92 H68 B2 N6 -","2","1","","Diaz-Rodriguez, Roberto M; Burke, Luke; Robertson, Katherine N.; Thompson, Alison","Synthesis, properties and reactivity of BCl<sub>2</sub> aza-BODIPY complexes and salts of the aza-dipyrrinato scaffold.","Organic & biomolecular chemistry","2020","18","11","2139","2147","10.1039/d0ob00272k","","","0.71073","MoKα","","0.0557","0.0427","","","0.1032","0.1112","","","","","","1.043","","","","has coordinates","250370","2020-10-21","18:00:00",""
"7157376","9.965","0.002","10.359","0.003","11.761","0.003","79.445","0.003","86.088","0.003","67.63","0.003","1103.7","0.5","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 B Cl2 N3 -","- C28 H18 B Cl2 N3 -","- C56 H36 B2 Cl4 N6 -","2","1","","Diaz-Rodriguez, Roberto M; Burke, Luke; Robertson, Katherine N.; Thompson, Alison","Synthesis, properties and reactivity of BCl<sub>2</sub> aza-BODIPY complexes and salts of the aza-dipyrrinato scaffold.","Organic & biomolecular chemistry","2020","18","11","2139","2147","10.1039/d0ob00272k","","","0.71073","MoKα","","0.1042","0.0537","","","0.1184","0.1383","","","","","","1.037","","","","has coordinates","250370","2020-10-21","18:00:00",""
"7157377","9.41","0.0003","10.4509","0.0004","13.6039","0.0005","73.214","0.002","87.718","0.002","79.175","0.002","1257.9","0.08","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H50 Cl4 N6 -","- C65 H50 Cl4 N6 -","- C65 H50 Cl4 N6 -","1","0.5","","Diaz-Rodriguez, Roberto M; Burke, Luke; Robertson, Katherine N.; Thompson, Alison","Synthesis, properties and reactivity of BCl<sub>2</sub> aza-BODIPY complexes and salts of the aza-dipyrrinato scaffold.","Organic & biomolecular chemistry","2020","18","11","2139","2147","10.1039/d0ob00272k","","","0.71073","MoKα","","0.058","0.0442","","","0.1107","0.1192","","","","","","1.047","","","","has coordinates,has disorder","250370","2020-10-21","18:00:00",""
"7157378","15.931","0.002","14.7572","0.0015","8.0025","0.0009","90","","106.219","0.004","90","","1806.5","0.4","297","2","297","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,3-bis Indole","","","- C24 H20 N2 -","- C24 H20 N2 -","- C96 H80 N8 -","4","0.5","","Singh, Himanshu; Tiwari, Rajat; Sharma, Poonam; Kumar, Pramod; Jain, Nidhi","Zinc triflate catalyzed 1,3-indolylation of cyclohexanones: tandem condensation, dehydrogenation and aromatization sequence.","Organic & biomolecular chemistry","2020","18","13","2492","2500","10.1039/d0ob00163e","","","0.71073","MoKα","","0.09","0.0551","","","0.1312","0.1448","","","","","","1.017","","","","has coordinates","250367","2020-10-21","18:00:00",""
"7157379","27.747","0.003","9.3839","0.0009","7.7982","0.0008","90","","90","","90","","2030.5","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H20 B F6 N3 O -","- C21 H20 B F6 N3 O -","- C84 H80 B4 F24 N12 O4 -","4","1","","Hohlfeld, Benjamin F.; Gitter, Burkhard; Flanagan, Keith J.; Kingsbury, Christopher J.; Kulak, Nora; Senge, Mathias O.; Wiehe, Arno","Exploring the relationship between structure and activity in BODIPYs designed for antimicrobial phototherapy.","Organic & biomolecular chemistry","2020","18","13","2416","2431","10.1039/d0ob00188k","","","0.71073","MoKα","","0.0649","0.0498","","","0.0861","0.0895","","","","","","1.028","","","","has coordinates","250366","2020-10-21","18:00:00",""
"7157380","7.6304","0.0002","9.5936","0.0002","11.6142","0.0003","110.557","0.001","92.1349","0.0011","98.3717","0.001","783.98","0.03","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","8-(4-N-Propargylamino-3-nitrophenyl)-bordipyrromethane","","- C18 H13 B F2 N4 O2 -","- C18 H13 B F2 N4 O2 -","- C36 H26 B2 F4 N8 O4 -","2","1","","Hohlfeld, Benjamin F.; Gitter, Burkhard; Flanagan, Keith J.; Kingsbury, Christopher J.; Kulak, Nora; Senge, Mathias O.; Wiehe, Arno","Exploring the relationship between structure and activity in BODIPYs designed for antimicrobial phototherapy.","Organic & biomolecular chemistry","2020","18","13","2416","2431","10.1039/d0ob00188k","","x-ray","0.71073","MoKα","","0.0328","0.031","","","0.0824","0.0845","","","","","","1.072","","","","has coordinates","250366","2020-10-21","18:00:00",""
"7157381","7.5487","0.0002","6.7333","0.0002","15.8235","0.0005","90","","93.459","0.001","90","","802.81","0.04","100","2","100","2","","","","","","","Xylaria longipes","3","P 1 21 1","P 2yb","4","","Xylarilongipin A","","- C19 H30 O3 -","- C19 H30 O3 -","- C38 H60 O6 -","2","1","","Chen, He-Ping; Li, Jing; Zhao, Zhen-Zhu; Li, Xinyang; Liu, Shui-Lin; Wang, Qing-Yuan; Liu, Ji-Kai","Diterpenes with bicyclo[2.2.2]octane moieties from the fungicolous fungus Xylaria longipes HFG1018.","Organic & biomolecular chemistry","2020","18","13","2410","2415","10.1039/d0ob00220h","","","1.54178","CuKα","","0.0338","0.0334","","","0.0956","0.0963","","","","","","1.097","","","","has coordinates","250365","2020-10-21","18:00:00",""
"7157382","7.6786","0.0003","10.5655","0.0004","40.1904","0.0016","90","","90","","90","","3260.6","0.2","100","2","100","2","","","","","","","Xylaria longipes","3","P 21 21 21","P 2ac 2ab","19","","Xylarilongipin B","","- C20 H28 O3 -","- C20 H28 O3 -","- C160 H224 O24 -","8","2","","Chen, He-Ping; Li, Jing; Zhao, Zhen-Zhu; Li, Xinyang; Liu, Shui-Lin; Wang, Qing-Yuan; Liu, Ji-Kai","Diterpenes with bicyclo[2.2.2]octane moieties from the fungicolous fungus Xylaria longipes HFG1018.","Organic & biomolecular chemistry","2020","18","13","2410","2415","10.1039/d0ob00220h","","","1.54178","CuKα","","0.0833","0.0672","","","0.1827","0.2112","","","","","","1.162","","","","has coordinates","250365","2020-10-21","18:00:00",""
"7157383","11.5943","0.0006","6.2502","0.0003","12.5743","0.0007","90","","107.516","0.001","90","","868.97","0.08","152","2","152","2","","","","","","","Xylaria longipes","3","P 1 21 1","P 2yb","4","","Hymatoxin L","","- C20 H30 O3 -","- C20 H30 O3 -","- C40 H60 O6 -","2","1","","Chen, He-Ping; Li, Jing; Zhao, Zhen-Zhu; Li, Xinyang; Liu, Shui-Lin; Wang, Qing-Yuan; Liu, Ji-Kai","Diterpenes with bicyclo[2.2.2]octane moieties from the fungicolous fungus Xylaria longipes HFG1018.","Organic & biomolecular chemistry","2020","18","13","2410","2415","10.1039/d0ob00220h","","","1.54178","CuKα","","0.0308","0.0304","","","0.0799","0.0804","","","","","","1.029","","","","has coordinates","250365","2020-10-21","18:00:00",""
"7157384","6.9173","0.0008","13.9163","0.0016","14.1631","0.0016","114.998","0.001","94.368","0.001","94.251","0.001","1223.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 F3 O4 Se -","- C26 H25 F3 O4 Se -","- C52 H50 F6 O8 Se2 -","2","1","","Liao, Ming-Hong; Zhang, Meng; Hu, Dai-Hui; Zhang, Rui-Han; Zhao, Yan; Liu, Shan-Shan; Li, Yun-Xia; Xiao, Wei-Lie; Tang, E.","Controlling the selectivity of an intramolecular Friedel-Crafts alkylation with alkenes using selenium under mild conditions.","Organic & biomolecular chemistry","2020","18","21","4034","4045","10.1039/d0ob00257g","","","0.71073","MoKα","","0.1107","0.0814","","","0.2602","0.2805","","","","","","0.999","","","","has coordinates","252932","2020-10-21","18:00:00",""
"7157385","9.3459","0.0008","19.5855","0.0017","25.163","0.002","90","","90","","90","","4605.9","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H28 O5 Se -","- C26 H28 O5 Se -","- C208 H224 O40 Se8 -","8","1","","Liao, Ming-Hong; Zhang, Meng; Hu, Dai-Hui; Zhang, Rui-Han; Zhao, Yan; Liu, Shan-Shan; Li, Yun-Xia; Xiao, Wei-Lie; Tang, E.","Controlling the selectivity of an intramolecular Friedel-Crafts alkylation with alkenes using selenium under mild conditions.","Organic & biomolecular chemistry","2020","18","21","4034","4045","10.1039/d0ob00257g","","","0.71073","MoKα","","0.0596","0.0349","","","0.0857","0.0971","","","","","","1.023","","","","has coordinates","252932","2020-10-21","18:00:00",""
"7157386","10.5462","0.0006","11.8138","0.0006","24.1532","0.0013","90","","90","","90","","3009.3","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H17 N3 S2 -","- C15 H17 N3 S2 -","- C120 H136 N24 S16 -","8","1","","Teng, Qiaoqiao; Singh, Chandan; Han, Yuan; Huynh, Han Vinh","Fused azole-thiazolines via one-pot cyclization of functionalized N-heterocyclic carbene precursors.","Organic & biomolecular chemistry","2020","18","13","2487","2491","10.1039/c9ob02548k","","","0.71073","MoKα","","0.0517","0.0467","","","0.1138","0.1167","","","","","","1.096","","","","has coordinates,has disorder","250363","2020-10-21","18:00:00",""
"7157387","9.035","0.005","11.727","0.007","13.103","0.008","90","","90","","90","","1388.3","1.4","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N4 S2 -","- C13 H14 N4 S2 -","- C52 H56 N16 S8 -","4","1","","Teng, Qiaoqiao; Singh, Chandan; Han, Yuan; Huynh, Han Vinh","Fused azole-thiazolines via one-pot cyclization of functionalized N-heterocyclic carbene precursors.","Organic & biomolecular chemistry","2020","18","13","2487","2491","10.1039/c9ob02548k","","","0.71073","MoKα","","0.0391","0.0369","","","0.0893","0.0906","","","","","","1.071","","","","has coordinates","250363","2020-10-21","18:00:00",""
"7157388","5.3591","0.0003","19.3576","0.0011","15.0546","0.0008","90","","96.041","0.001","90","","1553.08","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N3 S2 -","- C17 H15 N3 S2 -","- C68 H60 N12 S8 -","4","1","","Teng, Qiaoqiao; Singh, Chandan; Han, Yuan; Huynh, Han Vinh","Fused azole-thiazolines via one-pot cyclization of functionalized N-heterocyclic carbene precursors.","Organic & biomolecular chemistry","2020","18","13","2487","2491","10.1039/c9ob02548k","","","0.71073","MoKα","","0.0437","0.0391","","","0.1026","0.1057","","","","","","1.057","","","","has coordinates,has disorder","250363","2020-10-21","18:00:00",""
"7157389","8.1553","0.0005","16.6915","0.001","14.5815","0.0009","90","","102.205","0.001","90","","1940","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N3 S2 -","- C21 H21 N3 S2 -","- C84 H84 N12 S8 -","4","1","","Teng, Qiaoqiao; Singh, Chandan; Han, Yuan; Huynh, Han Vinh","Fused azole-thiazolines via one-pot cyclization of functionalized N-heterocyclic carbene precursors.","Organic & biomolecular chemistry","2020","18","13","2487","2491","10.1039/c9ob02548k","","","0.71073","MoKα","","0.0925","0.0591","","","0.131","0.1459","","","","","","1.043","","","","has coordinates,has disorder","250363","2020-10-21","18:00:00",""
"7157390","11.0937","0.0007","6.0127","0.0004","13.9608","0.001","90","","93.459","0.005","90","","929.53","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 S -","- C11 H10 N2 S -","- C44 H40 N8 S4 -","4","1","","Teng, Qiaoqiao; Singh, Chandan; Han, Yuan; Huynh, Han Vinh","Fused azole-thiazolines via one-pot cyclization of functionalized N-heterocyclic carbene precursors.","Organic & biomolecular chemistry","2020","18","13","2487","2491","10.1039/c9ob02548k","","","1.54178","CuKα","","0.0809","0.0556","","","0.1304","0.1447","","","","","","1.024","","","","has coordinates","250363","2020-10-21","18:00:00",""
"7157391","16.298","0.01","8.588","0.006","12.152","0.008","90","","103.311","0.017","90","","1655.2","1.9","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","trifluoro-4-terc-butilamio-3-buten-2-ona","1-(4-bromophenyl)-2-((tert-butylamino)methylene)-4,4,4-trifluorobutane-1,3-dione","","- C15 H15 Br F3 N O2 -","- C15 H15 Br F3 N O2 -","- C60 H60 Br4 F12 N4 O8 -","4","1","","Pianoski, Karlos Eduardo; Poletto, Julia; Vieira da Silva, Michael Jackson; Ascencio Camargo, Jeniffer Nascimento; Jacomini, Andrey Petita; Gonçalves, Davana Silva; Back, Davi Fernando; Moura, Sidnei; Rosa, Fernanda Andreia","1,2-Addition to trifluoromethylated β-enamino diketones: regioselective synthesis of trifluoromethyl-containing azomethine pyrazoles and isoxazoles.","Organic & biomolecular chemistry","2020","18","13","2524","2537","10.1039/d0ob00319k","","","0.71073","MoKα","","0.2237","0.0693","","","0.1178","0.1782","","","","","","0.893","","","","has coordinates","250364","2020-10-21","18:00:00",""
"7157392","9.0678","0.0004","10.6289","0.0005","11.469","0.0006","103.2","0.002","92.95","0.002","110.44","0.002","997.94","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Phenyl trifluormethyl (methyl methoxyphenyl)imin fluorphenyl pyrazol","1-Phenyl-3-trifluormethyl-4-(methyl-(2-methoxyphenyl)imin)-5-(4-fluorphenyl)-1H-","","- C24 H17 F4 N3 O -","- C24 H17 F4 N3 O -","- C48 H34 F8 N6 O2 -","2","1","","Pianoski, Karlos Eduardo; Poletto, Julia; Vieira da Silva, Michael Jackson; Ascencio Camargo, Jeniffer Nascimento; Jacomini, Andrey Petita; Gonçalves, Davana Silva; Back, Davi Fernando; Moura, Sidnei; Rosa, Fernanda Andreia","1,2-Addition to trifluoromethylated β-enamino diketones: regioselective synthesis of trifluoromethyl-containing azomethine pyrazoles and isoxazoles.","Organic & biomolecular chemistry","2020","18","13","2524","2537","10.1039/d0ob00319k","","","0.71073","MoKα","","0.0401","0.0354","","","0.0911","0.0943","","","","","","1.027","","","","has coordinates","250364","2020-10-21","18:00:00",""
"7157393","12.889","0.002","5.2686","0.001","25.153","0.005","90","","97.851","0.006","90","","1692.1","0.5","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","trifluormethyl methoxyphenyl iminomethyl bromophenyl isoxal","3-trifluormethyl-4-(2-methoxyphenyl)iminomethyl-5-(4-bromophenyl)-isoxal","","- C18 H12 Br F3 N2 O2 -","- C18 H12 Br F3 N2 O2 -","- C72 H48 Br4 F12 N8 O8 -","4","1","","Pianoski, Karlos Eduardo; Poletto, Julia; Vieira da Silva, Michael Jackson; Ascencio Camargo, Jeniffer Nascimento; Jacomini, Andrey Petita; Gonçalves, Davana Silva; Back, Davi Fernando; Moura, Sidnei; Rosa, Fernanda Andreia","1,2-Addition to trifluoromethylated β-enamino diketones: regioselective synthesis of trifluoromethyl-containing azomethine pyrazoles and isoxazoles.","Organic & biomolecular chemistry","2020","18","13","2524","2537","10.1039/d0ob00319k","","","0.71073","MoKα","","0.0921","0.0463","","","0.1056","0.1231","","","","","","1.019","","","","has coordinates","250364","2020-10-21","18:00:00",""
"7157394","15.5095","0.0019","16.419","0.002","17.6112","0.0015","79.615","0.013","68.069","0.007","84.517","0.012","4090.1","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C51.5 H45.5 Cl1.5 N O -","- C51.5 H45.5 Cl1.5 N O -","- C206 H182 Cl6 N4 O4 -","4","2","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","0.71075","MoKα","","0.0525","0.0414","","","0.113","0.1175","","","","","","1.081","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157395","14.607","0.004","16.157","0.004","27.29","0.004","106.338","0.003","90.856","0.003","116.601","0.007","5451","2","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H41 N3 -","- C44 H41 N3 -","- C264 H246 N18 -","6","3","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.0746","0.0603","","","0.167","0.1754","","","","","","0.992","","","","has coordinates,has disorder","253979","2020-10-21","18:00:00",""
"7157396","9.2808","0.0017","15.164","0.002","16.814","0.004","74.57","0.02","84.71","0.02","81.55","0.016","2252.7","0.8","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C55 H46 Cl3 N3 -","- C55 H46 Cl3 N3 -","- C110 H92 Cl6 N6 -","2","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.1015","0.0786","","","0.2191","0.2312","","","","","","0.993","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157397","17.038","0.009","21.523","0.008","11.237","0.005","90","","108.547","0.013","90","","3907","3","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H44 Cl3 N O -","- C45 H44 Cl3 N O -","- C180 H176 Cl12 N4 O4 -","4","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.1041","0.0824","","","0.2125","0.2265","","","","","","0.935","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157398","11.6137","0.0017","12.3195","0.0016","14.2724","0.0013","64.628","0.011","72.187","0.013","82.043","0.015","1756.5","0.4","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H43 N3 -","- C45 H43 N3 -","- C90 H86 N6 -","2","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","0.71075","MoKα","","0.1071","0.0568","","","0.1366","0.1551","","","","","","0.974","","","","has coordinates,has disorder","253979","2020-10-21","18:00:00",""
"7157399","54.62","0.009","13.2972","0.0019","44.552","0.009","90","","122.652","0.003","90","","27244","8","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H41 N5 O -","- C49 H41 N5 O -","- C1176 H984 N120 O24 -","24","3","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.1452","0.1246","","","0.3469","0.3619","","","","","","1.016","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157400","11.1504","0.0015","11.582","0.0011","14.992","0.002","85.88","0.006","86.682","0.006","79.303","0.007","1895.6","0.4","113","","113","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H49 N3 -","- C48 H49 N3 -","- C96 H98 N6 -","2","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","0.71075","MoKα","","0.0531","0.0433","","","0.1189","0.1229","","","","","","1.053","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157401","11.977","0.002","12.739","0.002","17.798","0.003","98.842","0.004","98.679","0.004","107.964","0.004","2495","0.7","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H44 Cl3 N5 O -","- C51 H44 Cl3 N5 O -","- C102 H88 Cl6 N10 O2 -","2","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.126","0.1182","","","0.3268","0.334","","","","","","1.016","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157402","17.349","0.003","13.933","0.003","19.572","0.003","90","","100.366","0.004","90","","4653.8","1.5","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H41 N7 -","- C52 H41 N7 -","- C208 H164 N28 -","4","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.0665","0.0616","","","0.1589","0.1617","","","","","","1.087","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157403","12.037","0.005","13.922","0.005","16.102","0.005","91.4728","0.0007","111.807","0.008","109.604","0.014","2324.9","1.5","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C53 H43 N7 -","- C53 H43 N7 -","- C106 H86 N14 -","2","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.0507","0.0413","","","0.1143","0.1193","","","","","","1.054","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157404","15.001","0.002","16.5592","0.0018","30.27","0.004","90","","100.711","0.004","90","","7388.2","1.6","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C47 H43 N3 -","- C47 H43 N3 -","- C376 H344 N24 -","8","2","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.0664","0.0586","","","0.1677","0.1748","","","","","","1.08","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157405","13.3124","0.0011","17.3674","0.0016","17.7864","0.0016","78.525","0.008","77.087","0.008","70.127","0.007","3735.5","0.6","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C46.5 H43 N3 O0.5 -","- C46.5 H43 N3 O0.5 -","- C186 H172 N12 O2 -","4","2","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","0.71075","MoKα","","0.107","0.0716","","","0.2219","0.2415","","","","","","1.085","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157406","9.6244","0.0003","9.8943","0.0003","14.3864","0.0005","90","","94.36","0.003","90","","1366","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H32 Cl N O5 -","- C29 H32 Cl N O5 -","- C58 H64 Cl2 N2 O10 -","2","1","","Zhou, Jing; Bai, Li-Juan; Liang, Guo-Juan; Xu, Qi-Gui; Zhou, Li-Ping; Zhou, Hui","Organocatalytic asymmetric cascade 1,6-addition/hemiketalization/retro-Henry reaction of ortho-hydroxyphenyl-substituted p-QMs with α-nitroketones.","Organic & biomolecular chemistry","2020","18","14","2641","2645","10.1039/d0ob00397b","","x-ray","1.54184","CuKα","","0.0518","0.0467","","","0.1262","0.135","","","","","","1.048","","","","has coordinates","251729","2020-10-21","18:00:00",""
"7157407","8.7086","0.0008","9.0359","0.0007","17.1804","0.0016","90","","102.801","0.003","90","","1318.3","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Br Cl O4 P -","- C10 H13 Br Cl O4 P -","- C40 H52 Br4 Cl4 O16 P4 -","4","1","","Wang, Zexu; Zeng, Yiping; Wu, Xiaofan; Li, Zihan; Tao, Yuan; Yu, Xiaomin; Huang, Zedu; Chen, Fener","Access to chiral α-substituted-β-hydroxy arylphosphonates enabled by biocatalytic dynamic reductive kinetic resolution.","Organic & biomolecular chemistry","2020","18","14","2672","2677","10.1039/d0ob00379d","","","1.34138","GaKα","","0.045","0.044","","","0.1134","0.114","","","","","","1.15","","","","has coordinates","251726","2020-10-21","18:00:00",""
"7157408","8.7884","0.0003","9.1062","0.0003","34.664","0.001","90","","90","","90","","2774.12","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 Br Cl O4 P -","- C10 H13 Br Cl O4 P -","- C80 H104 Br8 Cl8 O32 P8 -","8","2","","Wang, Zexu; Zeng, Yiping; Wu, Xiaofan; Li, Zihan; Tao, Yuan; Yu, Xiaomin; Huang, Zedu; Chen, Fener","Access to chiral α-substituted-β-hydroxy arylphosphonates enabled by biocatalytic dynamic reductive kinetic resolution.","Organic & biomolecular chemistry","2020","18","14","2672","2677","10.1039/d0ob00379d","","","1.34138","GaKα","","0.0441","0.0424","","","0.1136","0.1148","","","","","","1.057","","","","has coordinates","251726","2020-10-21","18:00:00",""
"7157409","5.7158","0.0008","16.615","0.002","19.036","0.002","90","","90","","90","","1807.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C72 H84 N4 O24 -","4","1","","Popik, Oskar; Grzeszczyk, Barbara; Staszewska-Krajewska, Olga; Furman, Bartłomiej; Chmielewski, Marek","Synthesis of β-lactams via diastereoselective, intramolecular Kinugasa reactions.","Organic & biomolecular chemistry","2020","18","15","2852","2860","10.1039/d0ob00228c","","","1.54178","CuKα","","0.0583","0.0427","","","0.1027","0.1132","","","","","","1.017","","","","has coordinates","251733","2020-10-21","18:00:00",""
"7157410","10.19377","0.00018","39.0375","0.0007","11.437","0.0002","90","","116.788","0.0008","90","","4062.81","0.13","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C105 H74 Cl2 N8 O2 -","- C105 H74 Cl2 N8 O2 -","- C210 H148 Cl4 N16 O4 -","2","1","","Kubo, Masahiro; Takase, Ko; Noguchi, Keiichi; Nakano, Koji","Solvent-sensitive circularly polarized luminescent compounds bearing a 9,9'-spirobi[fluorene] skeleton.","Organic & biomolecular chemistry","2020","18","15","2866","2876","10.1039/c9ob02681a","","","1.54187","CuKα","","0.0654","0.0619","","","0.1757","0.1809","","","","","","1.109","","","","has coordinates,has disorder","251732","2020-10-21","18:00:00",""
"7157411","5.4509","0.0007","19.981","0.003","10.8572","0.0016","90","","103.309","0.005","90","","1150.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C56 H44 N12 O4 -","4","1","","Shamanth, Sadashivamurthy; Chaithra, Nagaraju; Gurukiran, Mahesha; Mamatha, Mahesha; Lokanath, N. K.; Rangappa, Kanchugarakoppal S.; Mantelingu, Kempegowda","I<sub>2</sub>-Catalyzed transformation of o-aminobenzamide to o-ureidobenzonitrile using isothiocyanates.","Organic & biomolecular chemistry","2020","18","14","2678","2684","10.1039/d0ob00118j","","","0.71075","MoKα","","0.0468","0.0399","","","0.1055","0.1112","","","","","","1.058","","","","has coordinates","251728","2020-10-21","18:00:00",""
"7157412","8.532","0.0007","11.8108","0.0008","14.1961","0.001","90","","90","","90","","1430.54","0.18","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 B F O2 -","- C16 H20 B F O2 -","- C64 H80 B4 F4 O8 -","4","1","","Martínez-Aguirre, Mayte A; Flores-Alamo, Marcos; Medrano, Felipe; Yatsimirsky, Anatoly K.","Examination of pinanediol-boronic acid ester formation in aqueous media: relevance to the relative stability of trigonal and tetrahedral boronate esters.","Organic & biomolecular chemistry","2020","18","14","2716","2726","10.1039/d0ob00201a","","","0.71073","MoKα","","0.0625","0.0448","","","0.0896","0.0994","","","","","","1.044","","","","has coordinates,has disorder","251727","2020-10-21","18:00:00",""
"7157413","6.2351","0.0005","12.5482","0.0009","20.861","0.0015","90","","90","","90","","1632.1","0.2","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 B O3 -","- C18 H25 B O3 -","- C72 H100 B4 O12 -","4","1","","Martínez-Aguirre, Mayte A; Flores-Alamo, Marcos; Medrano, Felipe; Yatsimirsky, Anatoly K.","Examination of pinanediol-boronic acid ester formation in aqueous media: relevance to the relative stability of trigonal and tetrahedral boronate esters.","Organic & biomolecular chemistry","2020","18","14","2716","2726","10.1039/d0ob00201a","","","0.71073","MoKα","","0.073","0.0509","","","0.1013","0.1159","","","","","","1.059","","","","has coordinates","251727","2020-10-21","18:00:00",""
"7157414","34.1049","0.0003","14.4311","0.0001","31.2664","0.0002","90","","102.554","0.001","90","","15020.5","0.2","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","phaseolide A-CS","","- C106.12 H104.87 Cl12 N24 O8.53 Zn6 -","- C106.128 H104.88 Cl12 N24 O8.532 Zn6 -","- C424.512 H419.52 Cl48 N96 O34.128 Zn24 -","4","1","","Morishita, Yohei; Sonohara, Terutaka; Taniguchi, Tohru; Adachi, Kiyohiro; Fujita, Makoto; Asai, Teigo","Synthetic-biology-based discovery of a fungal macrolide from Macrophomina phaseolina.","Organic & biomolecular chemistry","2020","18","15","2813","2816","10.1039/d0ob00519c","","x-ray","1.54184","CuKα","","0.0641","0.0572","","","0.1681","0.1757","","","","","","1.044","","","","has coordinates,has disorder","251735","2020-10-21","18:00:00",""
"7157415","10.3478","0.001","14.7058","0.0014","18.6178","0.0017","90","","90","","90","","2833.1","0.5","296","2","296","2","","","","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","N-diarylmethane substituted isoxazolinones","(R)-2-((2-chlorophenyl)(3,5-di-tert-butyl-4-hydroxyphenyl)methyl)-4-methyl-3-phenylisoxazol-5(2H)-one","","- C31 H34 Cl N O3 -","- C31 H34 Cl N O3 -","- C124 H136 Cl4 N4 O12 -","4","1","","Qi, Suo-Suo; Jiang, Zhen-Hui; Chu, Ming-Ming; Wang, Yi-Feng; Chen, Xue-Yang; Ju, Wan-Zhen; Xu, Dan-Qian","Regioselective catalytic asymmetric N-alkylation of isoxazol-5-ones with para-quinone methides.","Organic & biomolecular chemistry","2020","18","13","2398","2404","10.1039/d0ob00393j","","","0.71073","MoKα","","0.0526","0.0407","","","0.0955","0.1045","","","","","","1.022","","","","has coordinates","250368","2020-10-21","18:00:00",""
"7157416","13.583","0.003","8.561","0.002","15.116","0.003","90","","97.03","0.03","90","","1744.5","0.7","298.15","","298.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Ning, Yi; He, Xinwei; Zuo, Youpeng; Wang, Jian; Tang, Qiang; Xie, Mengqing; Li, Ruxue; Shang, Yongjia","Rh-Catalyzed C-H activation/intramolecular condensation for the construction of benzo[f]pyrazolo[1,5-a][1,3]diazepines.","Organic & biomolecular chemistry","2020","18","15","2893","2901","10.1039/d0ob00382d","","","0.71073","MoKα","","0.0695","0.0495","","","0.1225","0.1402","","","","","","1.036","","","","has coordinates","251734","2020-10-21","18:00:00",""
"7157417","7.2409","0.0013","19.433","0.004","10.923","0.002","90","","95.667","0.002","90","","1529.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C72 H76 N12 O4 -","4","1","","Ning, Yi; He, Xinwei; Zuo, Youpeng; Wang, Jian; Tang, Qiang; Xie, Mengqing; Li, Ruxue; Shang, Yongjia","Rh-Catalyzed C-H activation/intramolecular condensation for the construction of benzo[f]pyrazolo[1,5-a][1,3]diazepines.","Organic & biomolecular chemistry","2020","18","15","2893","2901","10.1039/d0ob00382d","","","0.71073","MoKα","","0.0627","0.0462","","","0.1169","0.1269","","","","","","1.075","","","","has coordinates","251734","2020-10-21","18:00:00",""
"7157418","7.5756","0.0008","8.7063","0.0006","19.34","0.003","90","","90","","90","","1275.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 O2 S -","- C15 H12 O2 S -","- C60 H48 O8 S4 -","4","1","","Gharui, Chandan; Prakash, Satya; Chopra, Deepak; Pan, Subhas Chandra","Organocatalytic asymmetric addition of thioglycolates to o-quinone methides: a route to 5-substituted-5H-benzoxathiepine-2(3H)-ones.","Organic & biomolecular chemistry","2020","18","15","2828","2833","10.1039/d0ob00568a","","","0.71073","MoKα","","0.1424","0.0683","","","0.1007","0.1308","","","","","","1.006","","","","has coordinates","251730","2020-10-21","18:00:00",""
"7157419","7.969","0.003","34.663","0.014","5.361","0.002","90","","90","","90","","1480.9","1","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","P21212","","- C17 H16 O4 S -","- C17 H16 O4 S -","- C68 H64 O16 S4 -","4","1","","Gharui, Chandan; Prakash, Satya; Chopra, Deepak; Pan, Subhas Chandra","Organocatalytic asymmetric addition of thioglycolates to o-quinone methides: a route to 5-substituted-5H-benzoxathiepine-2(3H)-ones.","Organic & biomolecular chemistry","2020","18","15","2828","2833","10.1039/d0ob00568a","","","0.71073","MoKα","","0.1558","0.0762","","","0.1546","0.1915","","","","","","0.959","","","","has coordinates,has disorder","251730","2020-10-21","18:00:00",""
"7157420","12.9764","0.0011","14.3781","0.0012","17.5765","0.0015","90","","90","","90","","3279.4","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 O2 P2 -","- C37 H40 O2 P2 -","- C148 H160 O8 P8 -","4","1","","Qiu, Mao-Ran; Zheng, Hong-Xing; Ye, Jing-Jing; Yan, Bing-Xia; Zhao, Chang-Qiu; Li, Qiang","Stereoselective preparation of P,axial-stereogenic allenyl bisphosphine oxides via chirality-transfer.","Organic & biomolecular chemistry","2020","18","16","3017","3021","10.1039/d0ob00390e","","","0.71073","MoKα","","0.0836","0.0522","","","0.1025","0.1121","","","","","","0.954","","","","has coordinates","251719","2020-10-21","18:00:00",""
"7157421","13.2801","0.0012","14.3298","0.0013","17.9616","0.0015","90","","90","","90","","3418.1","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 O2 P2 -","- C38 H42 O2 P2 -","- C152 H168 O8 P8 -","4","1","","Qiu, Mao-Ran; Zheng, Hong-Xing; Ye, Jing-Jing; Yan, Bing-Xia; Zhao, Chang-Qiu; Li, Qiang","Stereoselective preparation of P,axial-stereogenic allenyl bisphosphine oxides via chirality-transfer.","Organic & biomolecular chemistry","2020","18","16","3017","3021","10.1039/d0ob00390e","","","0.71073","MoKα","","0.0952","0.0492","","","0.0805","0.0912","","","","","","1.03","","","","has coordinates","251719","2020-10-21","18:00:00",""
"7157422","8.8154","0.0007","11.3911","0.0009","24.121","0.002","90","","90","","90","","2422.2","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 O3 P -","- C26 H33 O3 P -","- C104 H132 O12 P4 -","4","1","","Qiu, Mao-Ran; Zheng, Hong-Xing; Ye, Jing-Jing; Yan, Bing-Xia; Zhao, Chang-Qiu; Li, Qiang","Stereoselective preparation of P,axial-stereogenic allenyl bisphosphine oxides via chirality-transfer.","Organic & biomolecular chemistry","2020","18","16","3017","3021","10.1039/d0ob00390e","","","0.71073","MoKα","","0.0773","0.0443","","","0.0963","0.1113","","","","","","1.028","","","","has coordinates","251719","2020-10-21","18:00:00",""
"7157423","14.276","0.014","14.392","0.012","11.161","0.011","90","","94.34","0.04","90","","2287","4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O2 S -","- C28 H28 N2 O2 S -","- C112 H112 N8 O8 S4 -","4","1","","Zakharov, A. V.; Yadykov, A. V.; Lvov, A. G.; Mitina, E. A.; Shirinian, V. Z.","Photochemical rearrangement of diarylethenes: synthesis of functionalized phenanthrenes.","Organic & biomolecular chemistry","2020","18","16","3098","3103","10.1039/d0ob00296h","","","0.71073","MoKα","","0.1304","0.0801","","","0.2078","0.2428","","","","","","1.073","","","","has coordinates,has disorder","251721","2020-10-21","18:00:00",""
"7157424","9.531","0.0005","7.0315","0.0004","21.6758","0.0012","90","","93.267","0.002","90","","1450.29","0.14","302","2","302.56","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","benzamide derivative","4-(quinolin-2-ylcarbamoyl)phenyl acetate","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C72 H56 N8 O12 -","4","1","","Ritu, ?; Sharma, Charu; Kumar, Sharvan; Jain, Nidhi","Singlet oxygen mediated dual C-C and C-N bond cleavage in visible light.","Organic & biomolecular chemistry","2020","18","15","2921","2928","10.1039/d0ob00563k","","","0.71073","MoKα","","0.0538","0.051","","","0.1454","0.1482","","","","","","1.069","","","","has coordinates","251731","2020-10-21","18:00:00",""
"7157425","31.975","0.004","7.5139","0.001","20.464","0.003","90","","115.609","0.002","90","","4433.6","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","7,8,17,18-tetrakis(trifluoromethyl)-5,10,15,20-tetraphenylporphyrin toluene solvate","","- C55 H34 F12 N4 -","- C55 H34 F12 N4 -","- C220 H136 F48 N16 -","4","0.5","","Thomas, Kolle E.; Conradie, Jeanet; Beavers, Christine M.; Ghosh, Abhik","Free-base porphyrins with localized NH protons. Can substituents alone stabilize the elusive cis tautomer?","Organic & biomolecular chemistry","2020","18","15","2861","2865","10.1039/d0ob00452a","","","0.7749","synchrotron","","0.081","0.064","","","0.1783","0.1896","","","","","","1.027","","","","has coordinates,has disorder","251736","2020-10-21","18:00:00",""
"7157426","9.0309","0.0004","13.028","0.0005","19.9637","0.0008","99.064","0.002","98.729","0.002","91.614","0.002","2289.36","0.16","173","","173","","","","","","","","","4","P 1","P 1","1","","","","- C25 H29 N O4 -","- C25 H29 N O4 -","- C100 H116 N4 O16 -","4","4","","Chen, Jian-Ping; Xu, Ming-Hua","Chiral diene-promoted room temperature conjugate arylation: highly enantioselective synthesis of substituted chiral phenylalanine derivatives and α,α-di(arylmethyl)acetates.","Organic & biomolecular chemistry","2020","18","24","4569","4574","10.1039/d0ob00616e","","","1.54178","CuKα","","0.072","0.0702","","","0.2066","0.211","","","","","","1.036","","","","has coordinates,has disorder","253972","2020-10-21","18:00:00",""
"7157427","6.0742","0.0007","8.6056","0.001","43.665","0.005","90","","90","","90","","2282.5","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 O2 S -","- C28 H28 O2 S -","- C112 H112 O8 S4 -","4","1","","Chen, Jian-Ping; Xu, Ming-Hua","Chiral diene-promoted room temperature conjugate arylation: highly enantioselective synthesis of substituted chiral phenylalanine derivatives and α,α-di(arylmethyl)acetates.","Organic & biomolecular chemistry","2020","18","24","4569","4574","10.1039/d0ob00616e","","","0.71073","MoKα","","0.1762","0.0603","","","0.083","0.114","","","","","","0.907","","","","has coordinates","253972","2020-10-21","18:00:00",""
"7157428","9.778","0.0002","10.6122","0.0002","11.1756","0.0002","103.043","0.001","104.128","0.002","92.353","0.002","1089.87","0.04","170","0.1","170","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C52 H48 N4 O4 -","2","1","","Li, Ming; Yao, Tian-Yu; Sun, Sheng-Zheng; Yan, Ting-Xun; Wen, Li-Rong; Zhang, Lin-Bao","The ruthenium(ii)-catalyzed C-H olefination of indoles with alkynes: the facile construction of tetrasubstituted alkenes under aqueous conditions.","Organic & biomolecular chemistry","2020","18","16","3158","3163","10.1039/d0ob00508h","","x-ray","1.54184","CuKα","","0.043","0.0395","","","0.1026","0.1067","","","","","","1.066","","","","has coordinates","251722","2020-10-21","18:00:00",""
"7157429","9.707","0.009","11.145","0.01","21.59","0.016","93.42","0.02","100.93","0.02","100.11","0.02","2247","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 N3 O -","- C29 H21 N3 O -","- C116 H84 N12 O4 -","4","2","","Meesa, Siddi Ramulu; Naikawadi, Praveen Kumar; Gugulothu, Kishan; Kota, Shiva Kumar","Catalyst and solvent switched divergent C−H functionalization: oxidative annulation of N-aryl substituted quinazolin-4-amine with alkynes","Organic & Biomolecular Chemistry","2020","","","","","10.1039/D0OB00318B","","","0.71073","MoKα","","0.143","0.054","","","0.1231","0.1645","","","","","","0.991","","","","has coordinates","249816","2020-10-21","18:00:00",""
"7157430","9.9378","0.0003","11.6946","0.0004","18.4106","0.0007","90","","97.113","0.001","90","","2123.19","0.13","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 N3 -","- C28 H19 N3 -","- C112 H76 N12 -","4","1","","Meesa, Siddi Ramulu; Naikawadi, Praveen Kumar; Gugulothu, Kishan; Kota, Shiva Kumar","Catalyst and solvent switched divergent C−H functionalization: oxidative annulation of N-aryl substituted quinazolin-4-amine with alkynes","Organic & Biomolecular Chemistry","2020","","","","","10.1039/D0OB00318B","","","0.71073","MoKα","","0.0679","0.039","","","0.0908","0.1014","","","","","","0.951","","","","has coordinates","249816","2020-10-21","18:00:00",""
"7157431","8.3154","0.0014","20.34","0.004","17.962","0.003","90","","101.759","0.003","90","","2974.2","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 N5 O4 S -","- C32 H33 N5 O4 S -","- C128 H132 N20 O16 S4 -","4","1","","Rong, Jing; Jiang, Hao; Wang, Sijing; Su, Zhenni; Wang, Huiyan; Tao, Chuanzhou","Metal-free cascade reactions of aziridines with arylalkynes and aryldiazoniums: facile access to arylazopyrrolines.","Organic & biomolecular chemistry","2020","18","16","3149","3157","10.1039/d0ob00346h","","","0.71073","MoKα","","0.1548","0.0592","","","0.1285","0.1675","","","","","","0.983","","","","has coordinates","251723","2020-10-21","18:00:00",""
"7157432","14.818","0.006","11.92","0.005","16.557","0.007","90","","91.828","0.007","90","","2923","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 Cl0 N3 O4 S -","- C32 H29 N3 O4 S -","- C128 H116 N12 O16 S4 -","4","1","","Rong, Jing; Jiang, Hao; Wang, Sijing; Su, Zhenni; Wang, Huiyan; Tao, Chuanzhou","Metal-free cascade reactions of aziridines with arylalkynes and aryldiazoniums: facile access to arylazopyrrolines.","Organic & biomolecular chemistry","2020","18","16","3149","3157","10.1039/d0ob00346h","","","0.71073","MoKα","","0.1153","0.0496","","","0.1137","0.1434","","","","","","0.987","","","","has coordinates","251723","2020-10-21","18:00:00",""
"7157433","6.0543","0.0009","8.5333","0.0014","34.582","0.006","90","","90","","90","","1786.6","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C76 H104 N8 O8 -","4","1","","Pan, Changduo; Huang, Gao; Shan, Yujia; Li, Yiting; Yu, Jin-Tao","Rh(iii)-Catalyzed regioselective C4 alkylation of indoles with allylic alcohols: direct access to β-indolyl ketones.","Organic & biomolecular chemistry","2020","18","16","3038","3042","10.1039/d0ob00396d","","","0.71073","MoKα","","0.1121","0.0779","","","0.2075","0.2301","","","","","","1.078","","","","has coordinates","251725","2020-10-21","18:00:00",""
"7157434","14.1097","0.0004","10.9238","0.0003","17.0344","0.0005","90","","94.326","0.003","90","","2618.06","0.13","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 Cl2 F2 N4 Si -","- C27 H28 Cl2 F2 N4 Si -","- C108 H112 Cl8 F8 N16 Si4 -","4","1","","Furuta, Shohei; Mori, Toshiaki; Yoshigoe, Yusuke; Sekine, Kohei; Kuninobu, Yoichiro","Synthesis, structures and photophysical properties of hexacoordinated organosilicon compounds with 2-(2-pyridyl)phenyl groups.","Organic & biomolecular chemistry","2020","18","17","3239","3242","10.1039/d0ob00484g","","x-ray","0.71073","MoKα","","0.0894","0.0818","","","0.2105","0.2219","","","","","","1.047","","","","has coordinates","252910","2020-10-21","18:00:00",""
"7157435","9.0006","0.0003","16.2355","0.0004","14.0783","0.0004","90","","96.804","0.003","90","","2042.76","0.1","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Cl2 F2 N2 Si -","- C23 H18 Cl2 F2 N2 Si -","- C92 H72 Cl8 F8 N8 Si4 -","4","1","","Furuta, Shohei; Mori, Toshiaki; Yoshigoe, Yusuke; Sekine, Kohei; Kuninobu, Yoichiro","Synthesis, structures and photophysical properties of hexacoordinated organosilicon compounds with 2-(2-pyridyl)phenyl groups.","Organic & biomolecular chemistry","2020","18","17","3239","3242","10.1039/d0ob00484g","","x-ray","0.71073","MoKα","","0.0342","0.0302","","","0.0821","0.0843","","","","","","1.044","","","","has coordinates","252910","2020-10-21","18:00:00",""
"7157436","7.8983","0.0002","10.1395","0.0003","14.2203","0.0004","80.924","0.002","74.043","0.002","85.365","0.002","1080.4","0.05","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 F8 N2 Si -","- C24 H14 F8 N2 Si -","- C48 H28 F16 N4 Si2 -","2","1","","Furuta, Shohei; Mori, Toshiaki; Yoshigoe, Yusuke; Sekine, Kohei; Kuninobu, Yoichiro","Synthesis, structures and photophysical properties of hexacoordinated organosilicon compounds with 2-(2-pyridyl)phenyl groups.","Organic & biomolecular chemistry","2020","18","17","3239","3242","10.1039/d0ob00484g","","x-ray","0.71073","MoKα","","0.0512","0.0449","","","0.1152","0.1202","","","","","","1.061","","","","has coordinates,has disorder","252910","2020-10-21","18:00:00",""
"7157437","5.5623","0.0003","8.7434","0.0004","17.6707","0.0008","90","","96.868","0.002","90","","853.22","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H14 Cl N O3 S -","- C19 H14 Cl N O3 S -","- C38 H28 Cl2 N2 O6 S2 -","2","1","","Wang, Mei-Xin; Liu, Juan; Liu, Zhen; Wang, Yingcheng; Yang, Qi-Qiong; Shan, Wenyu; Deng, Yu-Hua; Shao, Zhihui","Enantioselective synthesis of chiral α-alkynylated thiazolidones by tandem S-addition/acetalization of alkynyl imines.","Organic & biomolecular chemistry","2020","18","16","3117","3124","10.1039/d0ob00365d","","","1.54178","CuKα","","0.0442","0.0423","","","0.1046","0.1071","","","","","","1.05","","","","has coordinates","251724","2020-10-21","18:00:00",""
"7157438","5.5984","0.0001","11.093","0.0002","12.6395","0.0003","93.034","0.001","97.303","0.001","99.705","0.001","765.22","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(3-(Benzyloxy)propyl)-8-bromo-1H-purine-2,6(3H,7H)-dione","","- C15 H15 Br N4 O3 -","- C15 H15 Br N4 O3 -","- C30 H30 Br2 N8 O6 -","2","1","","Pretze, Marc; Neuber, Christin; Kinski, Elisa; Belter, Birgit; Köckerling, Martin; Caflisch, Amedeo; Steinbach, Jörg; Pietzsch, Jens; Mamat, Constantin","Synthesis, radiolabelling and initial biological characterisation of <sup>18</sup>F-labelled xanthine derivatives for PET imaging of Eph receptors.","Organic & biomolecular chemistry","2020","18","16","3104","3116","10.1039/d0ob00391c","","","0.71073","MoKα","","0.045","0.0296","","","0.0759","0.0808","","","","","","1.029","","","","has coordinates","251720","2020-10-21","18:00:00",""
"7157439","10.3","0.0006","7.5991","0.0006","9.0926","0.0006","90","","95.806","0.004","90","","708.03","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(3-(Methoxy)propyl)urea","","- C5 H12 N2 O2 -","- C5 H12 N2 O2 -","- C20 H48 N8 O8 -","4","1","","Pretze, Marc; Neuber, Christin; Kinski, Elisa; Belter, Birgit; Köckerling, Martin; Caflisch, Amedeo; Steinbach, Jörg; Pietzsch, Jens; Mamat, Constantin","Synthesis, radiolabelling and initial biological characterisation of <sup>18</sup>F-labelled xanthine derivatives for PET imaging of Eph receptors.","Organic & biomolecular chemistry","2020","18","16","3104","3116","10.1039/d0ob00391c","","","0.71073","MoKα","","0.0415","0.0348","","","0.0895","0.094","","","","","","1.059","","","","has coordinates","298703","2025-04-03","05:34:21",""
"7157440","9.768","0.002","5.0226","0.001","17.193","0.003","90","","95.43","0.03","90","","839.7","0.3","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H18 N2 S -","- C22 H18 N2 S -","- C44 H36 N4 S2 -","2","1","","Jiang, Jingjing; Tuo, Xiaolong; Fu, Zhuquan; Huang, Huawen; Deng, Guo-Jun","Three-component synthesis of 1,4-benzothiazines via iodide-catalyzed aerobic C-H sulfuration with elemental sulfur.","Organic & biomolecular chemistry","2020","18","17","3234","3238","10.1039/d0ob00074d","","","0.71073","MoKα","","0.0813","0.0696","","","0.1288","0.1363","","","","","","1.125","","","","has coordinates","252903","2020-10-21","18:00:00",""
"7157441","5.6311","0.0005","16.1768","0.0013","18.5883","0.0014","90","","90.132","0.007","90","","1693.3","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Arcadi, Antonio; Aschi, Massimiliano; Chiarini, Marco; Marinelli, Fabio; Marsicano, Vincenzo; Portalone, Gustavo","Experimental results and computational insight into sequential reactions of β-(2-aminophenyl)-α,β-ynones with aryl isocyanates/benzoyl isothiocyanate.","Organic & biomolecular chemistry","2020","18","16","3177","3189","10.1039/d0ob00087f","","","0.710689","MoKα","","0.1089","0.0552","","","0.1007","0.1226","","","","","","0.951","","","","has coordinates","251718","2020-10-21","18:00:00",""
"7157442","19.7918","0.0006","8.177","0.0002","24.1081","0.0007","90","","107.785","0.003","90","","3715.14","0.19","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C184 H144 N16 O16 -","8","2","","Arcadi, Antonio; Aschi, Massimiliano; Chiarini, Marco; Marinelli, Fabio; Marsicano, Vincenzo; Portalone, Gustavo","Experimental results and computational insight into sequential reactions of β-(2-aminophenyl)-α,β-ynones with aryl isocyanates/benzoyl isothiocyanate.","Organic & biomolecular chemistry","2020","18","16","3177","3189","10.1039/d0ob00087f","","","0.710689","MoKα","","0.0586","0.0424","","","0.1043","0.1148","","","","","","1.054","","","","has coordinates","251718","2020-10-21","18:00:00",""
"7157443","6.576","0.0004","16.9049","0.001","17.5937","0.0008","90","","90","","90","","1955.83","0.19","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 N2 O2 S -","- C24 H18 N2 O2 S -","- C96 H72 N8 O8 S4 -","4","1","","Arcadi, Antonio; Aschi, Massimiliano; Chiarini, Marco; Marinelli, Fabio; Marsicano, Vincenzo; Portalone, Gustavo","Experimental results and computational insight into sequential reactions of β-(2-aminophenyl)-α,β-ynones with aryl isocyanates/benzoyl isothiocyanate.","Organic & biomolecular chemistry","2020","18","16","3177","3189","10.1039/d0ob00087f","","","0.710689","MoKα","","0.0869","0.0594","","","0.1246","0.1399","","","","","","1.04","","","","has coordinates","251718","2020-10-21","18:00:00",""
"7157444","14.1114","0.0013","5.6423","0.0005","25.433","0.002","90","","98.033","0.003","90","","2005.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dibenzyl disulfanylsulfone","1-(4-Bromobenzyl)-2-[(4-bromophenyl)(phenylsulfonyl)methyl]disulfane","","- C20 H16 Br2 O2 S3 -","- C20 H16 Br2 O2 S3 -","- C80 H64 Br8 O8 S12 -","4","1","","Jannapu Reddy, Raju; Waheed, Md; Rama Krishna, Gamidi","Phenylboronic acid-catalyzed tandem construction of S-S and C-S bonds: a new method for the synthesis of benzyl disulfanylsulfone derivatives from S-benzyl thiosulfonates.","Organic & biomolecular chemistry","2020","18","17","3243","3248","10.1039/d0ob00442a","","","0.71073","MoKα","","0.0198","0.0179","","","0.0432","0.044","","","","","","1.034","","","","has coordinates","252902","2020-10-21","18:00:00",""
"7157445","9.8538","0.0017","10.2156","0.0017","18.572","0.003","90","","102.789","0.017","90","","1823.1","0.5","293.31","0.1","293.31","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N2 O3 -","- C22 H17 N2 O3 -","- C88 H68 N8 O12 -","4","1","","Dagar, Anuradha; Seo, Yohan; Namkung, Wan; Kim, Ikyon","A domino annulation approach to 3,4-diacylpyrrolo[1,2-a]pyrazines: decoration of pyrazine units.","Organic & biomolecular chemistry","2020","18","17","3324","3333","10.1039/d0ob00444h","","x-ray","0.71073","MoKα","","0.1476","0.0713","","","0.142","0.1763","","","","","","1.048","","","","has coordinates,has disorder","252900","2020-10-21","18:00:00",""
"7157446","7.3519","0.0009","7.7182","0.0012","13.473","0.002","90.118","0.005","98.358","0.004","94.483","0.004","754","0.19","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 N O2 S -","- C17 H15 N O2 S -","- C34 H30 N2 O4 S2 -","2","1","","Antony Savarimuthu, S.; Leo Prakash, D. G.; Augustine Thomas, S.; Gandhi, Thirumanavelan; Bera, Mrinal K.","Highly Z-selective synthesis of 1,3-oxathiol-2-ylidenes and 4-methylene-oxazolidine-2-thiones via atom-specific 5-exo-dig cyclization of propargyl alcohol with isothiocyanate.","Organic & biomolecular chemistry","2020","18","18","3552","3562","10.1039/d0ob00083c","","","0.71073","MoKα","","0.1053","0.0454","","","0.0955","0.1158","","","","","","1.006","","","","has coordinates","252926","2020-10-21","18:00:00",""
"7157447","9.729","0.005","9.766","0.005","10.945","0.006","67.938","0.014","81.05","0.014","73.602","0.014","923.1","0.8","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Cl N O S -","- C22 H16 Cl N O S -","- C44 H32 Cl2 N2 O2 S2 -","2","1","","Antony Savarimuthu, S.; Leo Prakash, D. G.; Augustine Thomas, S.; Gandhi, Thirumanavelan; Bera, Mrinal K.","Highly Z-selective synthesis of 1,3-oxathiol-2-ylidenes and 4-methylene-oxazolidine-2-thiones via atom-specific 5-exo-dig cyclization of propargyl alcohol with isothiocyanate.","Organic & biomolecular chemistry","2020","18","18","3552","3562","10.1039/d0ob00083c","","","0.71073","MoKα","","0.0533","0.0467","","","0.1261","0.1349","","","","","","0.943","","","","has coordinates","252926","2020-10-21","18:00:00",""
"7157448","7.656","0.004","21.804","0.01","10.011","0.005","90","","106.066","0.018","90","","1605.9","1.4","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl2 N O S -","- C17 H13 Cl2 N O S -","- C68 H52 Cl8 N4 O4 S4 -","4","1","","Antony Savarimuthu, S.; Leo Prakash, D. G.; Augustine Thomas, S.; Gandhi, Thirumanavelan; Bera, Mrinal K.","Highly Z-selective synthesis of 1,3-oxathiol-2-ylidenes and 4-methylene-oxazolidine-2-thiones via atom-specific 5-exo-dig cyclization of propargyl alcohol with isothiocyanate.","Organic & biomolecular chemistry","2020","18","18","3552","3562","10.1039/d0ob00083c","","","0.71073","MoKα","","0.0592","0.0538","","","0.1571","0.1703","","","","","","0.657","","","","has coordinates","252926","2020-10-21","18:00:00",""
"7157449","13.132","0.003","8.2538","0.0017","20.537","0.004","90","","105.43","0.03","90","","2145.8","0.8","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Cl N O3 S -","- C25 H20 Cl N O3 S -","- C100 H80 Cl4 N4 O12 S4 -","4","1","","Lu, Tianyu; Zhang, Xuange; Miao, Zhiwei","Synthesis of methylene cyclopropane-fused chromenes and dihydroquinolines by sequential [4 + 2]- and [1 + 2]-annulation.","Organic & biomolecular chemistry","2020","18","17","3303","3311","10.1039/d0ob00389a","","","0.71073","MoKα","","0.0491","0.0392","","","0.1089","0.1297","","","","","","1.054","","","","has coordinates","252904","2020-10-21","18:00:00",""
"7157450","9.5548","0.0019","10.071","0.002","10.634","0.002","100.86","0.03","104.43","0.03","105.69","0.03","917.5","0.4","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H18 O3 -","- C25 H18 O3 -","- C50 H36 O6 -","2","1","","Lu, Tianyu; Zhang, Xuange; Miao, Zhiwei","Synthesis of methylene cyclopropane-fused chromenes and dihydroquinolines by sequential [4 + 2]- and [1 + 2]-annulation.","Organic & biomolecular chemistry","2020","18","17","3303","3311","10.1039/d0ob00389a","","","0.71073","MoKα","","0.0779","0.0563","","","0.1485","0.1687","","","","","","1.03","","","","has coordinates","252904","2020-10-21","18:00:00",""
"7157451","29.831","0.004","11.148","0.0006","14.9443","0.0019","90","","133.61","0.02","90","","3598.4","1.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 O2 -","- C24 H16 O2 -","- C192 H128 O16 -","8","1","","Wu, Xinjie; Jia, Ming; Huang, Mengmeng; Kim, Jung Keun; Zhao, Zheng; Liu, Junkai; Xi, Jinhu; Li, Yabo; Wu, Yangjie","A visible-light-induced ""on-off"" one-pot synthesis of 3-arylacetylene coumarins with AIE properties.","Organic & biomolecular chemistry","2020","18","17","3346","3353","10.1039/d0ob00479k","","x-ray","1.54184","CuKα","","0.0656","0.048","","","0.1334","0.1501","","","","","","1.036","","","","has coordinates","252908","2020-10-21","18:00:00",""
"7157452","21.9993","0.0004","12.5762","0.0003","13.8028","0.0003","90","","90","","90","","3818.79","0.14","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C25 H18 O3 -","- C25 H18 O3 -","- C200 H144 O24 -","8","2","","Wu, Xinjie; Jia, Ming; Huang, Mengmeng; Kim, Jung Keun; Zhao, Zheng; Liu, Junkai; Xi, Jinhu; Li, Yabo; Wu, Yangjie","A visible-light-induced ""on-off"" one-pot synthesis of 3-arylacetylene coumarins with AIE properties.","Organic & biomolecular chemistry","2020","18","17","3346","3353","10.1039/d0ob00479k","","x-ray","1.54184","CuKα","","0.0521","0.0422","","","0.1094","0.1193","","","","","","1.022","","","","has coordinates","252908","2020-10-21","18:00:00",""
"7157453","11.8769","0.0008","11.865","0.0006","14.2912","0.0011","90","","110.026","0.008","90","","1892.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H13 F3 O2 -","- C24 H13 F3 O2 -","- C96 H52 F12 O8 -","4","1","","Wu, Xinjie; Jia, Ming; Huang, Mengmeng; Kim, Jung Keun; Zhao, Zheng; Liu, Junkai; Xi, Jinhu; Li, Yabo; Wu, Yangjie","A visible-light-induced ""on-off"" one-pot synthesis of 3-arylacetylene coumarins with AIE properties.","Organic & biomolecular chemistry","2020","18","17","3346","3353","10.1039/d0ob00479k","","x-ray","1.54184","CuKα","","0.08","0.0605","","","0.1653","0.1862","","","","","","1.04","","","","has coordinates,has disorder","252908","2020-10-21","18:00:00",""
"7157454","21.9897","0.0006","12.2777","0.0003","13.5508","0.0004","90","","90","","90","","3658.48","0.17","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H15 F O3 -","- C24 H15 F O3 -","- C192 H120 F8 O24 -","8","2","","Wu, Xinjie; Jia, Ming; Huang, Mengmeng; Kim, Jung Keun; Zhao, Zheng; Liu, Junkai; Xi, Jinhu; Li, Yabo; Wu, Yangjie","A visible-light-induced ""on-off"" one-pot synthesis of 3-arylacetylene coumarins with AIE properties.","Organic & biomolecular chemistry","2020","18","17","3346","3353","10.1039/d0ob00479k","","x-ray","1.54184","CuKα","","0.0573","0.0421","","","0.1018","0.1161","","","","","","1.021","","","","has coordinates","252908","2020-10-21","18:00:00",""
"7157455","10.9195","0.0008","11.7513","0.0007","14.206","0.0006","87.69","0.005","77.763","0.005","71.943","0.006","1693.1","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H14 O2 -","- C23 H14 O2 -","- C92 H56 O8 -","4","2","","Wu, Xinjie; Jia, Ming; Huang, Mengmeng; Kim, Jung Keun; Zhao, Zheng; Liu, Junkai; Xi, Jinhu; Li, Yabo; Wu, Yangjie","A visible-light-induced ""on-off"" one-pot synthesis of 3-arylacetylene coumarins with AIE properties.","Organic & biomolecular chemistry","2020","18","17","3346","3353","10.1039/d0ob00479k","","x-ray","1.54184","CuKα","","0.0637","0.0473","","","0.1252","0.1428","","","","","","1.018","","","","has coordinates","252908","2020-10-21","18:00:00",""
"7157456","19.7751","0.0007","7.6977","0.0003","13.7091","0.0005","90","","104.859","0.004","90","","2017.05","0.13","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H28 O2 Si -","- C22 H28 O2 Si -","- C88 H112 O8 Si4 -","4","1","","Sarkar, Parantap; Inaba, Yuya; Shirakura, Hayato; Yoneda, Tomoki; Inokuma, Yasuhide","Modular synthesis of oligoacetylacetones via site-selective silylation of acetylacetone derivatives.","Organic & biomolecular chemistry","2020","18","17","3297","3302","10.1039/d0ob00501k","","","0.71073","MoKα","","0.0275","0.0268","","","0.0715","0.072","","","","","","1.082","","","","has coordinates","252907","2020-10-21","18:00:00",""
"7157457","9.8166","0.0004","12.8538","0.0005","14.9915","0.0007","90","","98.444","0.004","90","","1871.13","0.14","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Sarkar, Parantap; Inaba, Yuya; Shirakura, Hayato; Yoneda, Tomoki; Inokuma, Yasuhide","Modular synthesis of oligoacetylacetones via site-selective silylation of acetylacetone derivatives.","Organic & biomolecular chemistry","2020","18","17","3297","3302","10.1039/d0ob00501k","","x-ray","0.71073","MoKα","","0.0619","0.0562","","","0.1483","0.1528","","","","","","1.058","","","","has coordinates","252907","2020-10-21","18:00:00",""
"7157458","7.1033","0.0014","15.7","0.003","10.748","0.002","90","","90.224","0.006","90","","1198.6","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 O2 Si -","- C10 H19 O2 Si -","- C40 H76 O8 Si4 -","4","1","","Sarkar, Parantap; Inaba, Yuya; Shirakura, Hayato; Yoneda, Tomoki; Inokuma, Yasuhide","Modular synthesis of oligoacetylacetones via site-selective silylation of acetylacetone derivatives.","Organic & biomolecular chemistry","2020","18","17","3297","3302","10.1039/d0ob00501k","","x-ray","0.71075","MoKα","","0.097","0.0694","","","0.1738","0.1941","","","","","","1.075","","","","has coordinates","252907","2020-10-21","18:00:00",""
"7157459","7.0479","0.0002","10.1584","0.0004","11.6894","0.0004","91.402","0.003","99.676","0.003","96.997","0.003","817.99","0.05","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H50 O8 -","- C34 H50 O8 -","- C34 H50 O8 -","1","0.5","","Sarkar, Parantap; Inaba, Yuya; Shirakura, Hayato; Yoneda, Tomoki; Inokuma, Yasuhide","Modular synthesis of oligoacetylacetones via site-selective silylation of acetylacetone derivatives.","Organic & biomolecular chemistry","2020","18","17","3297","3302","10.1039/d0ob00501k","","x-ray","0.71073","MoKα","","0.0556","0.0451","","","0.1187","0.1254","","","","","","1.029","","","","has coordinates","252907","2020-10-21","18:00:00",""
"7157460","7.3875","0.0002","9.2832","0.0003","11.5913","0.0003","103.164","0.003","95.845","0.002","95.145","0.002","764.77","0.04","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H50 O8 -","- C34 H50 O8 -","- C34 H50 O8 -","1","0.5","","Sarkar, Parantap; Inaba, Yuya; Shirakura, Hayato; Yoneda, Tomoki; Inokuma, Yasuhide","Modular synthesis of oligoacetylacetones via site-selective silylation of acetylacetone derivatives.","Organic & biomolecular chemistry","2020","18","17","3297","3302","10.1039/d0ob00501k","","x-ray","0.71073","MoKα","","0.0397","0.035","","","0.0904","0.0932","","","","","","1.046","","","","has coordinates","252907","2020-10-21","18:00:00",""
"7157461","9.317","0.0009","18.704","0.002","13.6865","0.0014","90","","93.967","0.004","90","","2379.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 N O -","- C27 H33 N O -","- C108 H132 N4 O4 -","4","1","","Rayaroth, Amritha; Singh, Rajat Kumar; A V, Kalyanakrishnan; Hari, Krishna; Kaliyamoorthy, Alagiri","Base-promoted 1,6-conjugate addition of alkylazaarenes to para-quinone methides.","Organic & biomolecular chemistry","2020","18","17","3354","3359","10.1039/d0ob00419g","","","0.71073","MoKα","","0.0955","0.0569","","","0.1319","0.1646","","","","","","1.038","","","","has coordinates","252899","2020-10-21","18:00:00",""
"7157462","5.5878","0.0007","10.8004","0.0011","13.7039","0.0012","105.531","0.008","91.027","0.009","101.719","0.01","777.93","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-chloro-6-(p-tolyl)phenanthridine","","- C20 H14 Cl N -","- C20 H14 Cl N -","- C40 H28 Cl2 N2 -","2","1","","Fang, Benyao; Hou, Jiao; Tian, Jinyue; Yu, Wenquan; Chang, Junbiao","Synthesis of phenanthridines by I<sub>2</sub>-mediated sp<sup>3</sup> C-H amination.","Organic & biomolecular chemistry","2020","18","17","3312","3323","10.1039/d0ob00433b","","x-ray","1.54184","CuKα","","0.0764","0.0559","","","0.1624","0.1918","","","","","","1.015","","","","has coordinates","252898","2020-10-21","18:00:00",""
"7157463","8.3958","0.0001","10.3211","0.0002","33.5425","0.0005","90","","91.208","0.001","90","","2905.94","0.08","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 Br N3 O6 -","- C31 H32 Br N3 O6 -","- C124 H128 Br4 N12 O24 -","4","1","","Ao, Chaoqun; Huang, Jingjing; Xu, Xinfang; Jia, Shikun; Kang, Zhenghui; Hu, Wenhao","A Rh-catalyzed three-component reaction for the diastereoselective synthesis of pyrazolone derivatives with contiguous quaternary stereocenters.","Organic & biomolecular chemistry","2020","18","18","3466","3470","10.1039/d0ob00482k","","x-ray","1.54184","CuKα","","0.0704","0.0647","","","0.1481","0.1546","","","","","","1.073","","","","has coordinates","252924","2020-10-21","18:00:00",""
"7157464","8.6541","0.0005","5.7809","0.0003","33.543","0.002","90","","97.281","0.004","90","","1664.57","0.16","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(4Z)-2,4-diphenyl-8,9-dihydrocycloocta[b]furan-6(7H)-one","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Dos Santos, Emerson E. F.; de Souza, Gabriela F. P.; Simoni, Deborah A.; Salles, Jr, Airton G","A base-promoted tandem approach to bicyclic 8-membered ring ketones.","Organic & biomolecular chemistry","2020","18","17","3249","3253","10.1039/d0ob00618a","","","1.54178","CuKα","","0.0751","0.0584","","","0.1262","0.1326","","","","","","1.13","","","","has coordinates","252901","2020-10-21","18:00:00",""
"7157465","11.5618","0.0005","20.0595","0.001","20.7439","0.001","90","","90","","90","","4811","0.4","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H22 N4 O2 S -","- C26 H22 N4 O2 S -","- C104 H88 N16 O8 S4 -","4","1","","Yang, Zhen; He, Jing; Wei, Yueting; Li, Weiwei; Liu, Ping","KI/TBHP-promoted [3 + 2] cycloaddition of pyrrolo[1,2-a]quinoxalines and N-arylsulfonylhydrazones.","Organic & biomolecular chemistry","2020","18","17","3360","3366","10.1039/d0ob00494d","","","0.71073","MoKα","","0.1026","0.0924","","","0.2486","0.2593","","","","","","1.096","","","","has coordinates","252909","2020-10-21","18:00:00",""
"7157466","7.1117","0.0014","14.251","0.003","7.5497","0.0015","90","","102.83","0.03","90","","746","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5ad","","- C16 H11 N5 O2 -","- C16 H11 N5 O2 -","- C32 H22 N10 O4 -","2","1","","Kim, Woo Gyum; Baek, Seung-Yeol; Jeong, Seo Yeong; Nam, Dongsik; Jeon, Ji Hwan; Choe, Wonyoung; Baik, Mu-Hyun; Hong, Sung You","Chemo- and regioselective click reactions through nickel-catalyzed azide-alkyne cycloaddition.","Organic & biomolecular chemistry","2020","18","17","3374","3381","10.1039/d0ob00579g","","","0.71073","MoKα","","0.0631","0.0401","","","0.0721","0.0777","","","","","","1.03","","","","has coordinates","252906","2020-10-21","18:00:00",""
"7157467","9.6779","0.0019","15.962","0.003","12.006","0.002","90","","108.7","0.03","90","","1756.8","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7ab","","- C19 H18 N4 O2 -","- C19 H18 N4 O2 -","- C76 H72 N16 O8 -","4","1","","Kim, Woo Gyum; Baek, Seung-Yeol; Jeong, Seo Yeong; Nam, Dongsik; Jeon, Ji Hwan; Choe, Wonyoung; Baik, Mu-Hyun; Hong, Sung You","Chemo- and regioselective click reactions through nickel-catalyzed azide-alkyne cycloaddition.","Organic & biomolecular chemistry","2020","18","17","3374","3381","10.1039/d0ob00579g","","","0.71073","MoKα","","0.0959","0.0584","","","0.1333","0.1495","","","","","","1.027","","","","has coordinates","252906","2020-10-21","18:00:00",""
"7157468","14.942","0.003","12.891","0.003","17.93","0.004","90","","90","","90","","3453.6","1.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7ae","","- C19 H18 N4 O3 -","- C19 H18 N4 O3 -","- C152 H144 N32 O24 -","8","1","","Kim, Woo Gyum; Baek, Seung-Yeol; Jeong, Seo Yeong; Nam, Dongsik; Jeon, Ji Hwan; Choe, Wonyoung; Baik, Mu-Hyun; Hong, Sung You","Chemo- and regioselective click reactions through nickel-catalyzed azide-alkyne cycloaddition.","Organic & biomolecular chemistry","2020","18","17","3374","3381","10.1039/d0ob00579g","","","0.71073","MoKα","","0.0887","0.0512","","","0.0993","0.1121","","","","","","1.038","","","","has coordinates","252906","2020-10-21","18:00:00",""
"7157469","13.151","0.003","18.198","0.004","19.461","0.004","90","","90","","90","","4657.4","1.8","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6ea","","- C28 H23 N3 S -","- C28 H23 N3 S -","- C224 H184 N24 S8 -","8","1","","Kim, Woo Gyum; Baek, Seung-Yeol; Jeong, Seo Yeong; Nam, Dongsik; Jeon, Ji Hwan; Choe, Wonyoung; Baik, Mu-Hyun; Hong, Sung You","Chemo- and regioselective click reactions through nickel-catalyzed azide-alkyne cycloaddition.","Organic & biomolecular chemistry","2020","18","17","3374","3381","10.1039/d0ob00579g","","","0.71073","MoKα","","0.0923","0.052","","","0.1038","0.1171","","","","","","1.016","","","","has coordinates","252906","2020-10-21","18:00:00",""
"7157470","13.7872","0.0009","11.4491","0.0007","7.3967","0.0005","90","","101.273","0.003","90","","1145.05","0.13","100","","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br N O2 -","- C14 H10 Br N O2 -","- C56 H40 Br4 N4 O8 -","4","1","","Calatrava-Pérez, Elena; Acherman, Stefan; Stricker, Lucas; McManus, Gavin; Delente, Jason; Lynes, Amy D.; Henwood, Adam F.; Lovitt, June I.; Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Kotova, Oxana; Gunnlaugsson, Thorfinnur; Scanlan, Eoin M.","Fluorescent supramolecular hierarchical self-assemblies from glycosylated 4-amino- and 4-bromo-1,8-naphthalimides.","Organic & biomolecular chemistry","2020","18","18","3475","3480","10.1039/d0ob00033g","","x-ray","1.54178","CuKα","","0.104","0.0957","","","0.207","0.211","","","","","","1.179","","","","has coordinates,has disorder","252925","2020-10-21","18:00:00",""
"7157471","4.6972","0.0002","11.9618","0.0005","15.7954","0.0007","81.534","0.003","86.654","0.004","84.89","0.003","873.41","0.07","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Br N O2 -","- C20 H22 Br N O2 -","- C40 H44 Br2 N2 O4 -","2","1","","Calatrava-Pérez, Elena; Acherman, Stefan; Stricker, Lucas; McManus, Gavin; Delente, Jason; Lynes, Amy D.; Henwood, Adam F.; Lovitt, June I.; Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Kotova, Oxana; Gunnlaugsson, Thorfinnur; Scanlan, Eoin M.","Fluorescent supramolecular hierarchical self-assemblies from glycosylated 4-amino- and 4-bromo-1,8-naphthalimides.","Organic & biomolecular chemistry","2020","18","18","3475","3480","10.1039/d0ob00033g","","","1.54178","CuKα","","0.0839","0.0732","","","0.1867","0.1935","","","","","","1.136","","","","has coordinates,has disorder","252925","2020-10-21","18:00:00",""
"7157472","4.4247","0.0003","16.1174","0.001","19.4957","0.0013","99.692","0.002","94.484","0.002","92.775","0.002","1363.61","0.16","100","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Br2 N2 O4 -","- C32 H27.9983 Br2.0024 N2 O4 -","- C64 H55.9966 Br4.0048 N4 O8 -","2","1","","Calatrava-Pérez, Elena; Acherman, Stefan; Stricker, Lucas; McManus, Gavin; Delente, Jason; Lynes, Amy D.; Henwood, Adam F.; Lovitt, June I.; Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Kotova, Oxana; Gunnlaugsson, Thorfinnur; Scanlan, Eoin M.","Fluorescent supramolecular hierarchical self-assemblies from glycosylated 4-amino- and 4-bromo-1,8-naphthalimides.","Organic & biomolecular chemistry","2020","18","18","3475","3480","10.1039/d0ob00033g","","x-ray","1.54178","CuKα","","0.042","0.041","","","0.1059","0.1066","","","","","","1.098","","","","has coordinates,has disorder","252925","2020-10-21","18:00:00",""
"7157473","5.5466","0.0001","9.9811","0.0002","27.5422","0.0005","90","","91.085","0.002","90","","1524.5","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O3 S -","- C18 H18 O3 S -","- C72 H72 O12 S4 -","4","1","","Lin, Qifu; Yao, Yongqi; Yang, Wen; Tan, Yun; Chen, Shuqi; Chen, Donghan; Yang, Dingqiao","Copper-catalyzed diastereoselective hydrothioetherification of oxa(aza)benzonorbornadienes.","Organic & biomolecular chemistry","2020","18","18","3575","3584","10.1039/d0ob00659a","","x-ray","1.54184","CuKα","","0.0441","0.0404","","","0.1143","0.1178","","","","","","1.069","","","","has coordinates","252922","2020-10-21","18:00:00",""
"7157474","10.5718","0.0013","10.6288","0.0012","13.5806","0.0017","100.473","0.01","97.068","0.01","103.526","0.01","1436.9","0.3","295","2","295","2","","","","","","","none","4","P -1","-P 1","2","none","Methyl (1R,3S,5r,7r)-8'-(4-methylbenzoyl)-4',4'-diphenyl-4'H-spiro-[adamantane-2,2'-pyrazolo[5,1-d][1,3,5]dioxazine]-7'-carboxylate","","- C35 H32 N2 O5 -","- C35 H32 N2 O5 -","- C70 H64 N4 O10 -","2","1","","Zhulanov, Vladimir E.; Vigovskaya, Valeria A.; Dmitriev, Maksim V.; Silaichev, Pavel S.; Maslivets, Andrey N.; Rubin, Michael","Dipyrazolodioxadiazocines as shelf-stable ""ready-to-use"" precursors for an in situ generation of enolate-iminium 1,4-dipoles: a straightforward atom-economical approach to pyrazolo[5,1-d][1,3,5]dioxazines.","Organic & biomolecular chemistry","2020","18","17","3382","3391","10.1039/d0ob00451k","","","0.71073","MoKα","","0.0726","0.0523","","","0.1289","0.1459","","","","","","1.064","","","","has coordinates","252905","2020-10-21","18:00:00",""
"7157475","9.2689","0.0014","9.782","0.0012","35.199","0.003","94.886","0.009","92.57","0.01","115.038","0.013","2869.4","0.7","295","2","295","2","","","","","","","none","4","P -1","-P 1","2","none","Methyl 8'-(4-methylbenzoyl)-4',4'-diphenyl-4'H-spiro[cyclohexane-1,2'-pyrazolo[5,1-d][1,3,5]dioxazine]-7'-carboxylate","","- C66 H66 N4 O11 -","- C66 H66 N4 O11 -","- C132 H132 N8 O22 -","2","1","","Zhulanov, Vladimir E.; Vigovskaya, Valeria A.; Dmitriev, Maksim V.; Silaichev, Pavel S.; Maslivets, Andrey N.; Rubin, Michael","Dipyrazolodioxadiazocines as shelf-stable ""ready-to-use"" precursors for an in situ generation of enolate-iminium 1,4-dipoles: a straightforward atom-economical approach to pyrazolo[5,1-d][1,3,5]dioxazines.","Organic & biomolecular chemistry","2020","18","17","3382","3391","10.1039/d0ob00451k","","","0.71073","MoKα","","0.1265","0.0759","","","0.1856","0.2195","","","","","","1.016","","","","has coordinates,has disorder","252905","2020-10-21","18:00:00",""
"7157476","9.3467","0.0019","11.887","0.002","11.887","0.002","97.25","","97.072","0.002","97.072","0.002","1287.2","0.4","298","2","298","2","","","","","","","","9","P -1","-P 1","2","","","","- C21 H26 Br Cl F6 N2 P Rh Se -","- C21 H26 Br Cl F6 N2 P Rh Se -","- C42 H52 Br2 Cl2 F12 N4 P2 Rh2 Se2 -","2","1","","Sharma, Charu; Srivastava, Avinash Kumar; Sharma, Kamal Nayan; Joshi, Raj Kumar","Half-sandwich (η<sup>5</sup>-Cp*)Rh(iii) complexes of pyrazolated organo-sulfur/selenium/tellurium ligands: efficient catalysts for base/solvent free C-N coupling of chloroarenes under aerobic conditions.","Organic & biomolecular chemistry","2020","18","18","3599","3606","10.1039/d0ob00538j","","","0.71073","MoKα","","0.0566","0.0373","","","0.0782","0.0835","","","","","","0.971","","","","has coordinates","252923","2020-10-21","18:00:00",""
"7157477","12.562","0.003","11.151","0.002","19.041","0.004","90","","91.874","0.003","90","","2665.8","1","298","2","298","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C21 H26 Br Cl F6 N2 P Rh S -","- C21 H26 Br Cl F6 N2 P Rh S -","- C84 H104 Br4 Cl4 F24 N8 P4 Rh4 S4 -","4","1","","Sharma, Charu; Srivastava, Avinash Kumar; Sharma, Kamal Nayan; Joshi, Raj Kumar","Half-sandwich (η<sup>5</sup>-Cp*)Rh(iii) complexes of pyrazolated organo-sulfur/selenium/tellurium ligands: efficient catalysts for base/solvent free C-N coupling of chloroarenes under aerobic conditions.","Organic & biomolecular chemistry","2020","18","18","3599","3606","10.1039/d0ob00538j","","","0.71073","MoKα","","0.0544","0.0477","","","0.1033","0.1057","","","","","","1.068","","","","has coordinates","252923","2020-10-21","18:00:00",""
"7157478","5.7568","0.0004","25.3971","0.0013","13.5914","0.0008","90","","98.147","0.002","90","","1967.1","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","phenylselanyl azaspiro decatrienedione","1-methyl-4-phenyl-3-((3-(trifluoromethyl)phenyl)selanyl)-1-azaspiro [4.5]deca-3,6,9-triene-2,8-dione","","- C23 H16 F3 N O2 Se -","- C23 H16 F3 N O2 Se -","- C92 H64 F12 N4 O8 Se4 -","4","1","","Recchi, Ana Maria S.; Rosa, Pedro H. P.; Back, Davi F.; Zeni, Gilson","Selenium-promoted electrophilic cyclization of arylpropiolamides: synthesis of 3-organoselenyl spiro[4,5]trienones.","Organic & biomolecular chemistry","2020","18","18","3544","3551","10.1039/d0ob00609b","","","0.71073","MoKα","","0.0608","0.041","","","0.0915","0.0981","","","","","","1.053","","","","has coordinates","252927","2020-10-21","18:00:00",""
"7157479","9.6477","0.0005","14.9116","0.0008","13.3181","0.0007","90","","98.129","0.002","90","","1896.73","0.17","295","2","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","azaspiro deca trienedione","1-methyl-4-phenyl-3-(phenylselanyl)-1-azaspiro[4.5]deca-3,7,9-triene-2,6-dione","","- C22 H17 N O2 Se -","- C22 H17 N O2 Se -","- C88 H68 N4 O8 Se4 -","4","2","","Recchi, Ana Maria S.; Rosa, Pedro H. P.; Back, Davi F.; Zeni, Gilson","Selenium-promoted electrophilic cyclization of arylpropiolamides: synthesis of 3-organoselenyl spiro[4,5]trienones.","Organic & biomolecular chemistry","2020","18","18","3544","3551","10.1039/d0ob00609b","","","0.71073","MoKα","","0.0546","0.0377","","","0.0994","0.1104","","","","","","1.028","","","","has coordinates","296876","2024-12-16","17:34:43",""
"7157480","18.987","0.004","25.021","0.006","7.087","0.0018","90","","90","","90","","3366.8","1.4","300","2","300","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C10 H8 O3 -","- C10 H8 O3 -","- C160 H128 O48 -","16","1","","Roy, Biswajit; Das, Eshani; Roy, Avijit; Mal, Dipakranjan","Ni(ii)-Catalyzed vinylic C-H functionalization of 2-acetamido-3-arylacrylates to access isotetronic acids.","Organic & biomolecular chemistry","2020","18","19","3697","3706","10.1039/d0ob00557f","","","0.71073","MoKα","","0.0676","0.0466","","","0.1106","0.1232","","","","","","1.042","","","","has coordinates","298703","2025-04-03","05:34:21",""
"7157481","7.57","0.002","9.753","0.002","13.656","0.003","90","","102.23","0.03","90","","985.3","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","2","","Roy, Biswajit; Das, Eshani; Roy, Avijit; Mal, Dipakranjan","Ni(ii)-Catalyzed vinylic C-H functionalization of 2-acetamido-3-arylacrylates to access isotetronic acids.","Organic & biomolecular chemistry","2020","18","19","3697","3706","10.1039/d0ob00557f","","","0.71073","MoKα","","0.1115","0.0552","","","0.1277","0.1542","","","","","","0.951","","","","has coordinates","252913","2020-10-21","18:00:00",""
"7157482","25.689","0.005","10.003","0.002","7.418","0.002","90","0.03","105.62","0.03","90","0.03","1835.8","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H7 N O5 -","- C10 H7 N O5 -","- C80 H56 N8 O40 -","8","1","","Roy, Biswajit; Das, Eshani; Roy, Avijit; Mal, Dipakranjan","Ni(ii)-Catalyzed vinylic C-H functionalization of 2-acetamido-3-arylacrylates to access isotetronic acids.","Organic & biomolecular chemistry","2020","18","19","3697","3706","10.1039/d0ob00557f","","","0.71073","MoKα","","0.091","0.0536","","","0.1228","0.1473","","","","","","1.019","","","","has coordinates","298703","2025-04-03","05:34:21",""
"7157483","8.009","","9.607","","13.044","","94.77","","105.91","","108.25","","900.812","","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H7 N O3 -","- C11 H7 N O3 -","- C44 H28 N4 O12 -","4","2","","Roy, Biswajit; Das, Eshani; Roy, Avijit; Mal, Dipakranjan","Ni(ii)-Catalyzed vinylic C-H functionalization of 2-acetamido-3-arylacrylates to access isotetronic acids.","Organic & biomolecular chemistry","2020","18","19","3697","3706","10.1039/d0ob00557f","","","0.71073","MoKα","","0.1281","0.0748","","","0.1975","0.2304","","","","","","1.03","","","","has coordinates","292638","2024-06-28","09:33:36",""
"7157484","24.1998","0.0014","12.37","0.0006","9.5879","0.0006","90","","119.944","0.008","90","","2487","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H23 Cl N2 O3 -","- C22 H23 Cl N2 O3 -","- C88 H92 Cl4 N8 O12 -","4","1","","Cui, Hao; Li, Ke; Wang, Yue; Song, Manman; Wang, Congcong; Wei, Donghui; Li, Er-Qing; Duan, Zheng; Mathey, François","Copper(i)/Ganphos catalysis: enantioselective synthesis of diverse spirooxindoles using iminoesters and alkyl substituted methyleneindolinones.","Organic & biomolecular chemistry","2020","18","19","3740","3746","10.1039/d0ob00546k","","x-ray","1.54184","CuKα","","0.0472","0.0448","","","0.1259","0.1291","","","","","","1.051","","","","has coordinates","252912","2020-10-21","18:00:00",""
"7157485","6.61847","0.00005","9.54","0.00006","44.1844","0.0003","90","","90","","90","","2789.81","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H52 O4 -","- C29 H48 O3 -","- C116 H192 O12 -","4","1","","Xiao, Long-Gao; Zhang, Yu; Zhang, Hong-Li; Li, Ding; Gu, Qiong; Tang, Gui-Hua; Yu, Qian; An, Lin-Kun","Spiroconyone A, a new phytosterol with a spiro [5,6] ring system from Conyza japonica.","Organic & biomolecular chemistry","2020","18","27","5130","5136","10.1039/d0ob00666a","","x-ray","1.54184","CuKα","","0.0288","0.0279","","","0.0714","0.072","","","","","","1.038","","","","has coordinates","255090","2020-10-21","18:00:00",""
"7157486","8.3268","0.0014","9.2126","0.0013","9.6765","0.0016","83.964","0.005","73.197","0.005","73.333","0.005","680.55","0.19","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Br N O2 -","- C16 H11 Br N O2 -","- C32 H22 Br2 N2 O4 -","2","1","","Sreedharan, Ramdas; Rajeshwaran, Purushothaman; Panyam, Pradeep Kumar Reddy; Yadav, Saurabh; Nagaraja, C. M.; Gandhi, Thirumanavelan","Acylation of oxindoles using methyl/phenyl esters via the mixed Claisen condensation - an access to 3-alkylideneoxindoles.","Organic & biomolecular chemistry","2020","18","20","3843","3847","10.1039/d0ob00789g","","","0.71073","MoKα","","0.0404","0.037","","","0.1032","0.1054","","","","","","1.062","","","","has coordinates","252917","2020-10-21","18:00:00",""
"7157487","11.1312","0.0004","8.2115","0.0004","16.7219","0.0007","90","","109.192","0.001","90","","1443.5","0.11","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N O3 -","- C17 H14 N O3 -","- C68 H56 N4 O12 -","4","1","","Sreedharan, Ramdas; Rajeshwaran, Purushothaman; Panyam, Pradeep Kumar Reddy; Yadav, Saurabh; Nagaraja, C. M.; Gandhi, Thirumanavelan","Acylation of oxindoles using methyl/phenyl esters via the mixed Claisen condensation - an access to 3-alkylideneoxindoles.","Organic & biomolecular chemistry","2020","18","20","3843","3847","10.1039/d0ob00789g","","","0.71073","MoKα","","0.0686","0.0607","","","0.1766","0.1844","","","","","","1.058","","","","has coordinates","252917","2020-10-21","18:00:00",""
"7157488","7.7099","0.0006","16.5285","0.0015","15.8165","0.0016","90","","94.189","0.007","90","","2010.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cl F12 N O3 -","- C16 H10 Cl F12 N O3 -","- C64 H40 Cl4 F48 N4 O12 -","4","1","","Mo, Zu-Yu; Wang, Xin-Yu; Zhang, Yu-Zhen; Yang, Li; Tang, Hai-Tao; Pan, Ying-Ming","Electrochemically enabled functionalization of indoles or anilines for the synthesis of hexafluoroisopropoxy indole and aniline derivatives.","Organic & biomolecular chemistry","2020","18","20","3832","3837","10.1039/d0ob00157k","","x-ray","0.71073","MoKα","","0.0717","0.0553","","","0.1422","0.156","","","","","","1.034","","","","has coordinates","252918","2020-10-21","18:00:00",""
"7157489","42.922","0.009","30.652","0.006","19.133","0.004","90","","94.97","0.03","90","","25078","9","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C210 H270 B6 N6 O24 -","- C210 H269.5 B6 N6 O24 -","- C840 H1078 B24 N24 O96 -","4","0.5","","Danjo, Hiroshi; Masuda, Yuhki; Kidena, Yuki; Kawahata, Masatoshi; Ohara, Kazuaki; Yamaguchi, Kentaro","Preparation of cage-shaped hexakis(spiroborate)s.","Organic & biomolecular chemistry","2020","18","19","3717","3723","10.1039/d0ob00518e","","","0.75","synchrotron","","0.1391","0.1064","","","0.3231","0.3545","","","","","","1.324","","","","has coordinates,has disorder","252911","2020-10-21","18:00:00",""
"7157490","27.909","0.006","32.78","0.007","34.958","0.007","105.11","0.03","107.86","0.03","110.03","0.03","26098","16","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C223.49 H272.13 B6 N6.66 O25.16 -","- C223.484 H272.131 B6 N6.6615 O25.1615 -","- C893.938 H1088.52 B24 N26.646 O100.646 -","4","2","","Danjo, Hiroshi; Masuda, Yuhki; Kidena, Yuki; Kawahata, Masatoshi; Ohara, Kazuaki; Yamaguchi, Kentaro","Preparation of cage-shaped hexakis(spiroborate)s.","Organic & biomolecular chemistry","2020","18","19","3717","3723","10.1039/d0ob00518e","","","0.75","synchrotron","","0.1566","0.14","","","0.4052","0.4269","","","","","","1.856","","","","has coordinates,has disorder","252911","2020-10-21","18:00:00",""
"7157491","9.74142","0.00005","9.74142","0.00005","55.7588","0.0004","90","","90","","90","","5291.25","0.05","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C45 H74 N2 O20 S2 -","- C45 H74 N2 O20 S2 -","- C180 H296 N8 O80 S8 -","4","0.5","","Tota, Arianna; Carlucci, Claudia; Pisano, Luisa; Cutolo, Giuliano; Clarkson, Guy J.; Romanazzi, Giuseppe; Degennaro, Leonardo; Bull, James A.; Rollin, Patrick; Luisi, Renzo","Synthesis of glycosyl sulfoximines by a highly chemo- and stereoselective NH- and O-transfer to thioglycosides.","Organic & biomolecular chemistry","2020","18","20","3893","3897","10.1039/d0ob00647e","","x-ray","1.54184","CuKα","","0.0469","0.0464","","","0.1189","0.1193","","","","","","1.053","","","","has coordinates","252920","2020-10-21","18:00:00",""
"7157492","17.9619","0.0004","9.8922","0.0002","22.6104","0.0005","90","","96.832","0.002","90","","3988.95","0.15","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H17 Cl O4 -","- C25 H17 Cl O4 -","- C200 H136 Cl8 O32 -","8","2","","Yang, Xiao-Chao; Xu, Meng; Wang, Jin-Bao; Liu, Meng-Meng; Mathey, François; Hua, Yuan-Zhao; Wang, Min-Can","Enantioselective synthesis of indanone spiro-isochromanone derivatives via a dinuclear zinc-catalyzed Michael/transesterification tandem reaction.","Organic & biomolecular chemistry","2020","18","20","3917","3926","10.1039/d0ob00541j","","x-ray","1.54184","CuKα","","0.0423","0.0392","","","0.106","0.1099","","","","","","1.036","","","","has coordinates","252914","2020-10-21","18:00:00",""
"7157493","8.2622","0.0007","10.8562","0.001","11.4554","0.0008","83.258","0.004","82.82","0.004","84.193","0.004","1008.49","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O6 -","- C24 H19 N O6 -","- C48 H38 N2 O12 -","2","1","","Ravindran, Jaice; Yadhukrishnan, Velickakathu O.; Asha, Reghuvaran S.; Lankalapalli, Ravi S.","Dienaminodioate based multicomponent reactions with post-benzylic oxidative transformations mediated by DDQ.","Organic & biomolecular chemistry","2020","18","20","3927","3937","10.1039/d0ob00721h","","","0.71073","MoKα","","0.0828","0.0433","","","0.1025","0.1287","","","","","","1.051","","","","has coordinates","252916","2020-10-21","18:00:00",""
"7157494","9.3935","0.0006","10.3136","0.0007","17.8351","0.0012","102.592","0.003","95.138","0.004","101.978","0.003","1633.08","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Cl N3 O9 -","- C33 H30 Cl N3 O9 -","- C66 H60 Cl2 N6 O18 -","2","1","","Ravindran, Jaice; Yadhukrishnan, Velickakathu O.; Asha, Reghuvaran S.; Lankalapalli, Ravi S.","Dienaminodioate based multicomponent reactions with post-benzylic oxidative transformations mediated by DDQ.","Organic & biomolecular chemistry","2020","18","20","3927","3937","10.1039/d0ob00721h","","","0.71073","MoKα","","0.0758","0.0498","","","0.1267","0.1504","","","","","","1.08","","","","has coordinates","252916","2020-10-21","18:00:00",""
"7157495","12.5521","0.0012","6.6052","0.0006","12.9824","0.0012","90","","113.567","0.003","90","","986.58","0.16","210","2","210","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C44 H64 O8 -","2","1","","Zou, Chun-Xin; Hou, Zi-Lin; Bai, Ming; Guo, Rui; Lin, Bin; Wang, Xiao-Bo; Huang, Xiao-Xiao; Song, Shao-Jiang","Highly modified steroids from Inonotus obliquus.","Organic & biomolecular chemistry","2020","18","20","3908","3916","10.1039/d0ob00474j","","","1.34139","GaKα","","0.0311","0.0303","","","0.1055","0.1073","","","","","","0.955","","","","has coordinates,has disorder","252919","2020-10-21","18:00:00",""
"7157496","19.2032","0.0009","6.11","0.0003","10.9617","0.0005","90","","103.271","0.001","90","","1251.81","0.1","150","","150","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H34.5 O17.25 -","- C24 H34.5 O17.25 -","- C48 H69 O34.5 -","2","0.5","","St-Gelais, Jacob; Denavit, Vincent; Giguère, Denis","Efficient synthesis of a galectin inhibitor clinical candidate (TD139) using a Payne rearrangement/azidation reaction cascade.","Organic & biomolecular chemistry","2020","18","20","3903","3907","10.1039/d0ob00910e","","x-ray","1.34139","GaKα","","0.0507","0.0507","","","0.1175","0.1176","","","","","","1.147","","","","has coordinates","252915","2020-10-21","18:00:00",""
"7157497","6.4978","0.0004","14.5164","0.0014","16.2262","0.0014","90","","90","","90","","1530.5","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 N O3 S2 -","- C17 H11 N O3 S2 -","- C68 H44 N4 O12 S8 -","4","1","","Mondal, Santa; Mahato, Karuna; Arora, Neha; Kankane, Dheerendra; Singh, Umed Pratap; Ali, Saghir; Khan, Aftab Hossain; Ghosh, Siddhartha S.; Khan, Abu T.","Newly synthesized 3-sulfenylindole derivatives from 4-hydroxydithiocoumarin using an oxidative cross dehydrogenative coupling reaction (OCDCR): potential lead molecules for antiproliferative activity.","Organic & biomolecular chemistry","2020","18","21","4104","4113","10.1039/d0ob00054j","","","0.71073","MoKα","","0.0933","0.0576","","","0.09","0.1094","","","","","","1.011","","","","has coordinates","252930","2020-10-21","18:00:00",""
"7157498","17.5086","0.001","11.7781","0.0008","13.9721","0.0009","90","","92.715","0.006","90","","2878.1","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H11 N O S2 -","- C17 H11 N O S2 -","- C136 H88 N8 O8 S16 -","8","1","","Mondal, Santa; Mahato, Karuna; Arora, Neha; Kankane, Dheerendra; Singh, Umed Pratap; Ali, Saghir; Khan, Aftab Hossain; Ghosh, Siddhartha S.; Khan, Abu T.","Newly synthesized 3-sulfenylindole derivatives from 4-hydroxydithiocoumarin using an oxidative cross dehydrogenative coupling reaction (OCDCR): potential lead molecules for antiproliferative activity.","Organic & biomolecular chemistry","2020","18","21","4104","4113","10.1039/d0ob00054j","","","0.71073","MoKα","","0.0592","0.0461","","","0.1283","0.145","","","","","","0.998","","","","has coordinates","252930","2020-10-21","18:00:00",""
"7157499","11.695","0.0005","14.5145","0.0005","15.6982","0.0007","90","","107.486","0.005","90","","2541.59","0.19","99.98","0.1","99.98","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 N O7 -","- C30 H29 N O7 -","- C120 H116 N4 O28 -","4","1","","Cui, Hai-Lei","FeCl<sub>2</sub> catalyzed direct modification of dihydropyrrolo[2,1-a]isoquinolines with phenols.","Organic & biomolecular chemistry","2020","18","21","4085","4089","10.1039/d0ob00917b","","x-ray","0.71073","MoKα","","0.0525","0.0407","","","0.0972","0.1054","","","","","","1.01","","","","has coordinates","252928","2020-10-21","18:00:00",""
"7157500","12.008","0.001","13.0066","0.001","34.139","0.002","90","","90","","90","","5331.9","0.7","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C57 H77 N O6 -","- C57 H77 N O6 -","- C228 H308 N4 O24 -","4","1","","Peng, Xiaogang; Duan, Fangfang; He, Yangzhou; Gao, Ying; Chen, Juan; Chang, Jinling; Ruan, Hanli","Ergocytochalasin A, a polycyclic merocytochalasan from an endophytic fungus Phoma multirostrata XJ-2-1.","Organic & biomolecular chemistry","2020","18","21","4056","4062","10.1039/d0ob00701c","","x-ray","1.54184","CuKα","","0.0366","0.0362","","","0.0954","0.0958","","","","","","1.05","","","","has coordinates","252929","2020-10-21","18:00:00",""
"7157501","6.9928","0.0005","7.7011","0.0006","10.3093","0.0009","79.651","0.001","81.793","0.002","80.005","0.001","534.28","0.07","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H12 F N O4 S -","- C8 H12 F N O4 S -","- C16 H24 F2 N2 O8 S2 -","2","1","","Liu, Jing; Wang, Shi-Meng; Qin, Hua-Li","Light-induced [2 + 2] cycloadditions for the construction of cyclobutane-fused pyridinyl sulfonyl fluorides.","Organic & biomolecular chemistry","2020","18","21","4019","4023","10.1039/d0ob00814a","","","0.71073","MoKα","","0.0492","0.0402","","","0.1065","0.1132","","","","","","1.067","","","","has coordinates","252931","2020-10-21","18:00:00",""
"7157502","9.3559","0.0002","9.3559","0.0002","60.611","0.003","90","","90","","90","","5305.5","0.3","292.01","0.1","292.01","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C208 H192 N16 O16 S8 -","8","1","","Yang, Junxian; He, Zeyuan; Hong, Liang; Sun, Wangsheng; Wang, Rui","Asymmetric N-aminoalkylation of 3-substituted indoles by N-protected N,O-acetals: an access to chiral propargyl aminals.","Organic & biomolecular chemistry","2020","18","22","4169","4173","10.1039/d0ob00795a","","","1.54184","CuKα","","0.095","0.087","","","0.2483","0.2589","","","","","","0.868","","","","has coordinates,has disorder","253977","2020-10-21","18:00:00",""
"7157503","10.372","0.0003","12.8487","0.0004","21.0007","0.0008","90","","90","","90","","2798.69","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 B N O2 -","- C14 H18 B N O2 -","- C112 H144 B8 N8 O16 -","8","1","","Zhao, Jia-Hui; Zhou, Zhao-Zhao; Zhang, Yue; Su, Xuan; Chen, Xi-Meng; Liang, Yong-Min","Visible-light-mediated borylation of aryl and alkyl halides with a palladium complex.","Organic & biomolecular chemistry","2020","18","23","4390","4394","10.1039/d0ob00028k","","","1.54184","CuKα","","0.0613","0.0518","","","0.1352","0.1471","","","","","","1.055","","","","has coordinates,has disorder","257924","2020-10-21","18:00:00",""
"7157504","8.947","0.0018","16.934","0.003","18.608","0.004","90","","90","","90","","2819.3","1","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H13 Cl N2 O -","- C16 H13 Cl N2 O -","- C128 H104 Cl8 N16 O8 -","8","1","","Hu, Fang-Peng; Cui, Xin-Feng; Lu, Guo-Qiang; Huang, Guo-Sheng","Base-promoted Lewis acid catalyzed synthesis of quinazoline derivatives.","Organic & biomolecular chemistry","2020","18","23","4376","4380","10.1039/d0ob00225a","","","0.71073","MoKα","","0.0881","0.0614","","","0.1758","0.2017","","","","","","1.003","","","","has coordinates","257921","2020-10-21","18:00:00",""
"7157505","4.9529","0.0007","11.1696","0.0016","13.2334","0.0019","112.623","0.001","99.49","0.002","94.354","0.002","658.67","0.16","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C32 H28 N4 O4 -","2","1","","Yang, Huiyong; Xu, Jun; Zhang, Yilan; He, Lei; Zhang, Pengfei; Li, Wanmei","Synthesis of quinazoin-4-ones through an acid ion exchange resin mediated cascade reaction.","Organic & biomolecular chemistry","2020","18","23","4406","4414","10.1039/d0ob00881h","","","0.71073","MoKα","","0.0702","0.0452","","","0.1149","0.1277","","","","","","1.064","","","","has coordinates","257919","2020-10-21","18:00:00",""
"7157506","19.7432","0.0016","18.485","0.002","10.3179","0.001","90","","99.181","0.008","90","","3717.3","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Br N2 -","- C19 H23 Br N2 -","- C152 H184 Br8 N16 -","8","2","","Banerjee, Indrani; Sagar, Shweta; Panda, Tarun K.","Calcium mediated efficient synthesis of N-arylamidines from organic nitriles and amines.","Organic & biomolecular chemistry","2020","18","22","4231","4237","10.1039/d0ob00805b","","","0.71073","MoKα","","0.1642","0.071","","","0.1999","0.2609","","","","","","1.027","","","","has coordinates","253980","2020-10-21","18:00:00",""
"7157507","12.988","0.002","15.255","0.002","14.374","0.002","90","","104.275","0.004","90","","2760","0.7","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 Cl4 N3 O -","- C27 Cl4 N3 O -","- C108 Cl16 N12 O4 -","4","1","","Banerjee, Indrani; Sagar, Shweta; Panda, Tarun K.","Calcium mediated efficient synthesis of N-arylamidines from organic nitriles and amines.","Organic & biomolecular chemistry","2020","18","22","4231","4237","10.1039/d0ob00805b","","","0.71075","MoKα","","0.1398","0.1178","","","0.3791","0.4069","","","","","","1.717","","","","has coordinates","298328","2025-03-07","16:31:40",""
"7157508","8.5523","0.0011","10.6764","0.0014","20.418","0.003","90","","93.693","0.004","90","","1860.5","0.4","113","","113","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N3 -","- C21 H29 N3 -","- C84 H116 N12 -","4","1","","Banerjee, Indrani; Sagar, Shweta; Panda, Tarun K.","Calcium mediated efficient synthesis of N-arylamidines from organic nitriles and amines.","Organic & biomolecular chemistry","2020","18","22","4231","4237","10.1039/d0ob00805b","","","0.71075","MoKα","","0.06","0.0426","","","0.1073","0.1149","","","","","","1.065","","","","has coordinates","253980","2020-10-21","18:00:00",""
"7157509","18.7816","0.0014","29.0379","0.0017","19.9928","0.0015","90","","115.493","0.0014","90","","9842","1.2","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 Cl N3 O2 -","- C27 H30 Cl N3 O2 -","- C432 H480 Cl16 N48 O32 -","16","4","","Banerjee, Indrani; Sagar, Shweta; Panda, Tarun K.","Calcium mediated efficient synthesis of N-arylamidines from organic nitriles and amines.","Organic & biomolecular chemistry","2020","18","22","4231","4237","10.1039/d0ob00805b","","","0.71075","MoKα","","0.0714","0.0462","","","0.1113","0.1228","","","","","","1.032","","","","has coordinates","253980","2020-10-21","18:00:00",""
"7157510","13.9531","0.0013","18.3735","0.0017","12.488","0.0012","90","","90.003","0.003","90","","3201.5","0.5","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 Cl N2 O2 -","- C14 H23 Cl N2 O2 -","- C112 H184 Cl8 N16 O16 -","8","2","","He, Xinwei; Yang, Cheng; Wu, Yinsong; Xie, Mengqing; Li, Ruxue; Duan, Jiahui; Shang, Yongjia","Synthesis of unsymmetrical urea derivatives via one-pot sequential three-component reactions of cyclic 2-diazo-1,3-diketones, carbodiimides, and 1,2-dihaloethanes.","Organic & biomolecular chemistry","2020","18","22","4178","4182","10.1039/d0ob00683a","","","0.71073","MoKα","","0.104","0.058","","","0.142","0.1678","","","","","","1.018","","","","has coordinates,has disorder","253978","2020-10-21","18:00:00",""
"7157511","12.7318","0.001","9.1027","0.0007","20.8094","0.0015","90","","96.677","0.002","90","","2395.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NRVS1","","","- C14 H10 N2 O2 S -","- C14 H10 N2 O2 S -","- C112 H80 N16 O16 S8 -","8","2","","Singh, Manpreet; Vaishali, ?; Paul, Avijit Kumar; Singh, Virender","Isatin as a 2-aminobenzaldehyde surrogate: transition metal-free efficient synthesis of 2-(2'-aminophenyl)benzothiazole derivatives.","Organic & biomolecular chemistry","2020","18","23","4459","4469","10.1039/d0ob00888e","","","0.71073","MoKα","","0.0715","0.0415","","","0.1041","0.1191","","","","","","1.069","","","","has coordinates","292638","2024-06-28","09:33:36",""
"7157512","27.604","0.002","7.7285","0.0006","5.8633","0.0005","90","","90","","90","","1250.86","0.17","170","2","170","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H11 N S2 -","- C14 H11 N S2 -","- C56 H44 N4 S8 -","4","1","","Wang, Dungai; Liang, Xiao; Xiong, Mingteng; Zhu, Heping; Zhou, Yifeng; Pan, Yuanjiang","Synthesis of unsymmetrical disulfides via PPh<sub>3</sub>-mediated reductive coupling of thiophenols with sulfonyl chlorides.","Organic & biomolecular chemistry","2020","18","23","4447","4451","10.1039/d0ob00804d","","","0.71073","MoKα","","0.0319","0.0293","","","0.0754","0.0773","","","","","","1.07","","","","has coordinates","257925","2020-10-21","18:00:00",""
"7157513","8.2789","0.0003","13.5084","0.0005","29.7538","0.0012","90","","90","","90","","3327.5","0.2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H18 B F2 N O2 S -","- C15 H18 B F2 N O2 S -","- C120 H144 B8 F16 N8 O16 S8 -","8","1","","Wei, Jun; Bao, Kun; Wang, Yuan; Sheng, Rong; Hu, Jinbo","Novel usage of 2-BTSO<sub>2</sub>CF<sub>2</sub>H for metal-free electrophilic difluoroalkanethiolation of indoles.","Organic & biomolecular chemistry","2020","18","24","4556","4559","10.1039/d0ob00872a","","","0.71073","MoKα","","0.0869","0.0674","","","0.184","0.2059","","","","","","1.024","","","","has coordinates,has disorder","253970","2020-10-21","18:00:00",""
"7157514","27.487","0.002","11.9733","0.001","19.9835","0.0017","90","","132.48","0.009","90","","4850.5","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H59 B F2 N4 O6 -","- C59 H59 B F2 N4 O6 -","- C236 H236 B4 F8 N16 O24 -","4","0.5","","Sugiura, Shinya; Maeda, Hiromitsu","Pyrrole-based anion-responsive π-electronic molecules as fluorescence sensors responsive to multiple stimuli.","Organic & biomolecular chemistry","2020","18","23","4433","4438","10.1039/d0ob00952k","","","0.4115","Synchrotron","","0.042","0.0385","","","0.1017","0.1046","","","","","","1.053","","","","has coordinates","257923","2020-10-21","18:00:00",""
"7157515","10.6091","0.0005","11.9396","0.0005","20.1405","0.0008","103.598","0.004","99.511","0.004","95.686","0.004","2420.12","0.19","292.01","0.1","292.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 N O6 -","- C28 H25 N O6 -","- C112 H100 N4 O24 -","4","2","","Luo, Si-Qin; Liu, Wei; Ruan, Ban-Feng; Fan, Shi-Lu; Zhu, Hui-Xia; Tao, Wei; Xiao, Hua","P(NMe<sub>2</sub>)<sub>3</sub> mediated cyclopropanation of α-methylene-β-lactams for rapid syntheses of spirocyclopropyl β-lactams.","Organic & biomolecular chemistry","2020","18","24","4599","4603","10.1039/d0ob00826e","","","1.54184","CuKα","","0.0751","0.0526","","","0.1282","0.1479","","","","","","1.025","","","","has coordinates","253971","2020-10-21","18:00:00",""
"7157516","9.6348","0.0005","10.2842","0.0005","11.504","0.0005","103.149","0.004","104.108","0.004","94.618","0.004","1065.31","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H20 Br N O3 -","- C25 H20 Br N O3 -","- C50 H40 Br2 N2 O6 -","2","1","","Luo, Si-Qin; Liu, Wei; Ruan, Ban-Feng; Fan, Shi-Lu; Zhu, Hui-Xia; Tao, Wei; Xiao, Hua","P(NMe<sub>2</sub>)<sub>3</sub> mediated cyclopropanation of α-methylene-β-lactams for rapid syntheses of spirocyclopropyl β-lactams.","Organic & biomolecular chemistry","2020","18","24","4599","4603","10.1039/d0ob00826e","","x-ray","1.54184","CuKα","","0.0409","0.0377","","","0.0926","0.0952","","","","","","1.032","","","","has coordinates","253971","2020-10-21","18:00:00",""
"7157517","25.0521","0.0011","25.0521","0.0011","15.1716","0.0018","90","","90","","90","","9521.8","1.3","173","2","173","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","[5]rotaxane","","- C192 H224 B6 F24 N8 O48 -","- C192 H224 B6 F24 N8 O48 -","- C384 H448 B12 F48 N16 O96 -","2","0.25","","Martinez-Bulit, Pablo; Wilson, Benjamin H.; Loeb, Stephen J.","One-pot synthesis of porphyrin-based [5]rotaxanes.","Organic & biomolecular chemistry","2020","18","23","4395","4400","10.1039/d0ob00906g","","x-ray","1.54184","CuKα","","0.2752","0.1892","","","0.4626","0.5216","","","","","","1.677","","","","has coordinates,has disorder","257926","2020-10-21","18:00:00",""
"7157518","10.486","0.005","11.704","0.006","13.581","0.007","87.493","0.009","84.584","0.008","66.838","0.007","1525.5","1.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H44 B10 O4 -","- C22 H44 B10 O4 -","- C44 H88 B20 O8 -","2","1","","Zhang, Chuyi; Wang, Qian; Tian, Song; Zhang, Jianwei; Li, Jiaoyi; Zhou, Ling; Lu, Jian","Palladium-catalyzed regioselective synthesis of B(4,5)- or B(4)-substituted o-carboranes containing α,β-unsaturated carbonyls.","Organic & biomolecular chemistry","2020","18","25","4723","4727","10.1039/d0ob00698j","","","0.71073","MoKα","","0.112","0.0835","","","0.2398","0.2813","","","","","","1.046","","","","has coordinates","253984","2020-10-21","18:00:00",""
"7157519","9.25182","0.00019","14.2225","0.0003","10.38203","0.00019","90","","106.464","0.002","90","","1310.1","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H29 N O S -","- C32 H29 N O S -","- C64 H58 N2 O2 S2 -","2","1","","Li, Ying-Xian; Cheng, Cheng; Tang, Lei; Yang, Yuan-Yong","Palladium catalyzed asymmetric allylic alkylation of isoquinolinedione derivatives in the preparation of quaternary carbon stereocenters.","Organic & biomolecular chemistry","2020","18","24","4551","4555","10.1039/d0ob00765j","","x-ray","1.54184","CuKα","","0.0369","0.036","","","0.1005","0.1027","","","","","","1.056","","","","has coordinates","253968","2020-10-21","18:00:00",""
"7157520","18.271","0.003","8.4386","0.0016","12.378","0.0019","90","","93.24","0.006","90","","1905.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 O5 -","- C19 H20 N4 O5 -","- C76 H80 N16 O20 -","4","1","","Surendra Reddy, G.; Suresh Kumar, A.; Ramachary, Dhevalapally B.","Organocatalytic enone-azide [3 + 2]-cycloaddition: synthesis of functionally rich C/N-double vinyl 1,2,3-triazoles.","Organic & biomolecular chemistry","2020","18","23","4470","4478","10.1039/d0ob00848f","","","0.71073","MoKα","","0.0867","0.0718","","","0.1965","0.2081","","","","","","1.048","","","","has coordinates","297561","2025-02-01","07:07:34",""
"7157521","7.2978","0.0006","8.2873","0.0008","14.1639","0.0013","97.85","0.004","94.308","0.003","110.859","0.003","785.86","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C34 H38 N6 O6 -","2","1","","Surendra Reddy, G.; Suresh Kumar, A.; Ramachary, Dhevalapally B.","Organocatalytic enone-azide [3 + 2]-cycloaddition: synthesis of functionally rich C/N-double vinyl 1,2,3-triazoles.","Organic & biomolecular chemistry","2020","18","23","4470","4478","10.1039/d0ob00848f","","","0.71073","MoKα","","0.0465","0.0401","","","0.1082","0.1129","","","","","","1.041","","","","has coordinates","297561","2025-02-01","07:07:34",""
"7157522","6.5916","0.0013","4.0692","0.0007","26.512","0.006","90","","94.367","0.009","90","","709.1","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl N3 O2 -","- C14 H14 Cl N3 O2 -","- C28 H28 Cl2 N6 O4 -","2","1","","Surendra Reddy, G.; Suresh Kumar, A.; Ramachary, Dhevalapally B.","Organocatalytic enone-azide [3 + 2]-cycloaddition: synthesis of functionally rich C/N-double vinyl 1,2,3-triazoles.","Organic & biomolecular chemistry","2020","18","23","4470","4478","10.1039/d0ob00848f","","","0.71073","MoKα","","0.0438","0.0352","","","0.0839","0.0876","","","","","","1.075","","","","has coordinates","297561","2025-02-01","07:07:34",""
"7157523","7.016","0.002","16.476","0.006","19.291","0.006","90","","90","","90","","2230","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Br3 N O2 -","- C8 H6 Br3 N O2 -","- C64 H48 Br24 N8 O16 -","8","1","","Okuma, Kentaro; Qu, Yuxuan; Suetome, Aoi; Nagahora, Noriyoshi","Reaction of ketone hydrazones with TeCl<sub>4</sub>: isolation and reactions of novel divinyl telluride.","Organic & biomolecular chemistry","2020","18","24","4583","4589","10.1039/d0ob00782j","","","0.71075","MoKα","","0.0945","0.0669","","","0.1487","0.1604","","","","","","1.002","","","","has coordinates","253974","2020-10-21","18:00:00",""
"7157524","15.726","0.01","10.425","0.005","13.63","0.008","90","","121.565","0.008","90","","1903.9","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Br2 N2 O4 Te -","- C16 H12 Br2 N2 O4 Te -","- C64 H48 Br8 N8 O16 Te4 -","4","0.5","","Okuma, Kentaro; Qu, Yuxuan; Suetome, Aoi; Nagahora, Noriyoshi","Reaction of ketone hydrazones with TeCl<sub>4</sub>: isolation and reactions of novel divinyl telluride.","Organic & biomolecular chemistry","2020","18","24","4583","4589","10.1039/d0ob00782j","","","0.71075","MoKα","","0.0437","0.0339","","","0.072","0.0764","","","","","","1.041","","","","has coordinates","253974","2020-10-21","18:00:00",""
"7157525","10.0037","0.0001","20.2706","0.0002","13.2122","0.0001","90","","92.231","0.001","90","","2677.15","0.04","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 N O3 -","- C31 H33 N O3 -","- C124 H132 N4 O12 -","4","1","","You, Yong; Quan, Bao-Xue; Wang, Zhen-Hua; Zhao, Jian-Qiang; Yuan, Wei-Cheng","Divergent synthesis of oxindole derivatives via controllable reactions of isatin-derived para-quinone methides with sulfur ylides.","Organic & biomolecular chemistry","2020","18","24","4560","4565","10.1039/d0ob00979b","","","1.54184","CuKα","","0.0633","0.0585","","","0.1632","0.169","","","","","","1.053","","","","has coordinates","253973","2020-10-21","18:00:00",""
"7157526","9.4791","0.0002","9.7988","0.0002","15.518","0.0004","83.644","0.001","83.34","0.001","62.855","0.001","1271.23","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H33 N O3 -","- C31 H33 N O3 -","- C62 H66 N2 O6 -","2","1","","You, Yong; Quan, Bao-Xue; Wang, Zhen-Hua; Zhao, Jian-Qiang; Yuan, Wei-Cheng","Divergent synthesis of oxindole derivatives via controllable reactions of isatin-derived para-quinone methides with sulfur ylides.","Organic & biomolecular chemistry","2020","18","24","4560","4565","10.1039/d0ob00979b","","","1.54178","CuKα","","0.0403","0.0389","","","0.0931","0.094","","","","","","1.044","","","","has coordinates","253973","2020-10-21","18:00:00",""
"7157527","10.205","","23.555","","23.364","","90","","95.62","","90","","5589.21","","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","C60-derivative","C60-derivative","","- C96 H31 N O S2 -","- C96 H31 N O S2 -","- C384 H124 N4 O4 S8 -","4","1","","Yang, Yong; Niu, Chuang; Chen, Muqing; Yang, Shangfeng; Wang, Guan-Wu","Electrochemical regioselective alkylations of a [60]fulleroindoline with bulky alkyl bromides.","Organic & biomolecular chemistry","2020","18","25","4783","4787","10.1039/d0ob00876a","","","0.71073","synchrotron","","0.1196","0.1151","","","0.2902","0.2931","","","","","","1.082","","","","has coordinates","253983","2020-10-21","18:00:00",""
"7157528","10.8717","0.0003","10.7087","0.0003","15.1761","0.0004","90","","95.029","0.002","90","","1760.03","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 F3 O2 -","- C20 H21 F3 O2 -","- C80 H84 F12 O8 -","4","1","","Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Syntheses of α-CF<sub>3</sub>-α-quaternary ketones via p-quinone methides and their derivatization to compounds with successively congested stereogenic centers.","Organic & biomolecular chemistry","2020","18","24","4638","4644","10.1039/d0ob00951b","","","0.71073","MoKα","","0.0365","0.0339","","","0.089","0.0915","","","","","","1.013","","","","has coordinates","253969","2020-10-21","18:00:00",""
"7157529","24.336","0.0011","7.1684","0.0003","16.7513","0.0008","90","","90","","90","","2922.3","0.2","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H17 F3 O2 -","- C17 H17 F3 O2 -","- C136 H136 F24 O16 -","8","1","","Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Syntheses of α-CF<sub>3</sub>-α-quaternary ketones via p-quinone methides and their derivatization to compounds with successively congested stereogenic centers.","Organic & biomolecular chemistry","2020","18","24","4638","4644","10.1039/d0ob00951b","","","0.71073","MoKα","","0.0468","0.0369","","","0.0935","0.0989","","","","","","1.039","","","","has coordinates","253969","2020-10-21","18:00:00",""
"7157530","12.0518","0.0006","11.0358","0.0004","18.5393","0.0009","90","","103.931","0.005","90","","2393.22","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl F3 O4 -","- C26 H26 Cl F3 O4 -","- C104 H104 Cl4 F12 O16 -","4","1","","Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Syntheses of α-CF<sub>3</sub>-α-quaternary ketones via p-quinone methides and their derivatization to compounds with successively congested stereogenic centers.","Organic & biomolecular chemistry","2020","18","24","4638","4644","10.1039/d0ob00951b","","","0.71073","MoKα","","0.0523","0.0458","","","0.1285","0.133","","","","","","1.052","","","","has coordinates","253969","2020-10-21","18:00:00",""
"7157531","13.8943","0.0004","9.9889","0.0003","15.0537","0.0004","90","","99.237","0.003","90","","2062.19","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 F3 O4 S -","- C23 H21 F3 O4 S -","- C92 H84 F12 O16 S4 -","4","1","","Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Syntheses of α-CF<sub>3</sub>-α-quaternary ketones via p-quinone methides and their derivatization to compounds with successively congested stereogenic centers.","Organic & biomolecular chemistry","2020","18","24","4638","4644","10.1039/d0ob00951b","","","0.71073","MoKα","","0.0352","0.032","","","0.089","0.0912","","","","","","1.041","","","","has coordinates","253969","2020-10-21","18:00:00",""
"7157532","12.2311","0.0004","5.5378","0.0002","13.6984","0.0004","90","","95.773","0.002","90","","923.13","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H18 O3 Se -","- C23 H18 O3 Se -","- C46 H36 O6 Se2 -","2","1","","Sahoo, Sushree Ranjan; Sarkar, Debayan; Henkel, Felix; Reuter, Hans","Copper(i) catalyzed synthesis of selanyl methylene 4-chromanol and aurone derivatives.","Organic & biomolecular chemistry","2020","18","24","4619","4627","10.1039/d0ob00632g","","","0.71073","MoKα","","0.0238","0.0211","","","0.0487","0.0498","","","","","","1.033","","","","has coordinates","253976","2020-10-21","18:00:00",""
"7157533","16.6385","0.0013","14.3268","0.0008","7.7041","0.0005","90","","100.731","0.007","90","","1804.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Br N2 O3 -","- C20 H17 Br N2 O3 -","- C80 H68 Br4 N8 O12 -","4","1","","Shi, Yaqi; Yang, Fan; Wu, Yangjie","Palladium-catalyzed C8-H alkoxycarbonylation of 1-naphthylamines with alkyl chloroformates.","Organic & biomolecular chemistry","2020","18","24","4628","4637","10.1039/d0ob00586j","","x-ray","1.54184","CuKα","","0.0755","0.0486","","","0.1062","0.1265","","","","","","1.053","","","","has coordinates","253975","2020-10-21","18:00:00",""
"7157534","5.2366","0.0001","35.3229","0.0003","14.5684","0.0001","90","","95.522","0.001","90","","2682.24","0.06","120","2","120","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59 H56 Cl N3 O14 S -","- C59 H56 Cl N3 O14 S -","- C118 H112 Cl2 N6 O28 S2 -","2","1","","Sheppard, Daniel J.; Cameron, Scott A.; Tyler, Peter C.; Schwörer, Ralf","Comparison of disaccharide donors for heparan sulfate synthesis: uronic acids vs. their pyranose equivalents.","Organic & biomolecular chemistry","2020","18","25","4728","4733","10.1039/d0ob00671h","","x-ray","1.54184","CuKα","","0.0415","0.0396","","","0.104","0.1051","","","","","","1.115","","","","has coordinates,has disorder","253981","2020-10-21","18:00:00",""
"7157535","8.1104","0.0002","19.5548","0.0006","27.2321","0.0019","90","","90","","90","","4318.9","0.3","164","2","164","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H46 Cl N3 O14 -","- C44 H45.9996 Cl N3 O14 -","- C176 H183.998 Cl4 N12 O56 -","4","1","","Sheppard, Daniel J.; Cameron, Scott A.; Tyler, Peter C.; Schwörer, Ralf","Comparison of disaccharide donors for heparan sulfate synthesis: uronic acids vs. their pyranose equivalents.","Organic & biomolecular chemistry","2020","18","25","4728","4733","10.1039/d0ob00671h","","","1.54178","CuKα","","0.0813","0.0625","","","0.1705","0.1892","","","","","","1.095","","","","has coordinates,has disorder","253981","2020-10-21","18:00:00",""
"7157536","8.0833","0.0002","18.7876","0.0007","26.8116","0.0012","90","","90","","90","","4071.8","0.3","120","2","120","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H45 N3 O14 -","- C43 H45 N3 O14 -","- C172 H180 N12 O56 -","4","1","","Sheppard, Daniel J.; Cameron, Scott A.; Tyler, Peter C.; Schwörer, Ralf","Comparison of disaccharide donors for heparan sulfate synthesis: uronic acids vs. their pyranose equivalents.","Organic & biomolecular chemistry","2020","18","25","4728","4733","10.1039/d0ob00671h","","x-ray","1.54184","CuKα","","0.0721","0.0564","","","0.1354","0.1464","","","","","","1.054","","","","has coordinates","253981","2020-10-21","18:00:00",""
"7157537","10.546","0.003","12.611","0.003","12.642","0.003","109.078","0.003","94.549","0.003","91.826","0.003","1581","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H37 Cl3 N O2 P -","- C33 H37 Cl3 N O2 P -","- C66 H74 Cl6 N2 O4 P2 -","2","1","","Jiang, Shuai-Shuai; Xiao, Yu-Ting; Wu, Yan-Chen; Luo, Shu-Zheng; Song, Ren-Jie; Li, Jin-Heng","Manganese(iii)-promoted tandem phosphinoylation/cyclization of 2-arylindoles/2-arylbenzimidazoles with disubstituted phosphine oxides.","Organic & biomolecular chemistry","2020","18","25","4843","4847","10.1039/d0ob00877j","","","0.71073","MoKα","","0.0681","0.054","","","0.1406","0.1524","","","","","","1.039","","","","has coordinates","253982","2020-10-21","18:00:00",""
"7157538","15.1872","0.0009","16.3092","0.001","34.3428","0.0019","90","","90","","90","","8506.4","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H19 N3 O6 -","- C25 H19 N3 O6 -","- C400 H304 N48 O96 -","16","2","","Panday, Anoop Kumar; Ali, Danish; Choudhury, Lokman H.","One-pot synthesis of pyrimidine linked naphthoquinone-fused pyrroles by iodine-mediated multicomponent reactions.","Organic & biomolecular chemistry","2020","18","26","4997","5007","10.1039/d0ob00591f","","","0.71073","MoKα","","0.233","0.079","","","0.1212","0.1657","","","","","","1.005","","","","has coordinates","255093","2020-10-21","18:00:00",""
"7157539","12.391","0.007","8.165","0.005","21.573","0.012","90","","94.106","0.014","90","","2177","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 F3 N3 O5 -","- C25 H16 F3 N3 O5 -","- C100 H64 F12 N12 O20 -","4","1","","Panday, Anoop Kumar; Ali, Danish; Choudhury, Lokman H.","One-pot synthesis of pyrimidine linked naphthoquinone-fused pyrroles by iodine-mediated multicomponent reactions.","Organic & biomolecular chemistry","2020","18","26","4997","5007","10.1039/d0ob00591f","","","0.71073","MoKα","","0.2596","0.0973","","","0.1587","0.224","","","","","","1.017","","","","has coordinates","255093","2020-10-21","18:00:00",""
"7157540","10.9534","0.0008","12.5947","0.0013","13.2276","0.001","100.624","0.008","113.849","0.007","110.012","0.008","1453.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Cl3 N3 O6 -","- C30 H24 Cl3 N3 O6 -","- C60 H48 Cl6 N6 O12 -","2","1","","Nguyen, Tuan K.; Titov, Gleb D.; Khoroshilova, Olesya V.; Kinzhalov, Mikhail A.; Rostovskii, Nikolai V.","Light-induced one-pot synthesis of pyrimidine derivatives from vinyl azides.","Organic & biomolecular chemistry","2020","18","26","4971","4982","10.1039/d0ob00693a","","","1.54184","CuKα","","0.078","0.063","","","0.1702","0.1833","","","","","","1.059","","","","has coordinates","255097","2020-10-21","18:00:00",""
"7157541","14.0485","0.0003","13.9573","0.0003","10.3547","0.0003","90","","99.58","0.002","90","","2002.03","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C88 H88 N8 O24 -","4","1","","Nguyen, Tuan K.; Titov, Gleb D.; Khoroshilova, Olesya V.; Kinzhalov, Mikhail A.; Rostovskii, Nikolai V.","Light-induced one-pot synthesis of pyrimidine derivatives from vinyl azides.","Organic & biomolecular chemistry","2020","18","26","4971","4982","10.1039/d0ob00693a","","x-ray","0.71073","MoKα","","0.0553","0.0415","","","0.0923","0.0991","","","","","","1.022","","","","has coordinates","255097","2020-10-21","18:00:00",""
"7157542","10.8248","0.0001","16.4407","0.0001","12.0407","0.0001","90","","109.771","0.001","90","","2016.53","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H14 Cl4 N2 O4 -","- C20 H14 Cl4 N2 O4 -","- C80 H56 Cl16 N8 O16 -","4","2","","Nguyen, Tuan K.; Titov, Gleb D.; Khoroshilova, Olesya V.; Kinzhalov, Mikhail A.; Rostovskii, Nikolai V.","Light-induced one-pot synthesis of pyrimidine derivatives from vinyl azides.","Organic & biomolecular chemistry","2020","18","26","4971","4982","10.1039/d0ob00693a","","x-ray","1.54184","CuKα","","0.0241","0.0233","","","0.058","0.0585","","","","","","1.031","","","","has coordinates","255097","2020-10-21","18:00:00",""
"7157543","7.62","0.0015","43.657","0.016","25.19","0.005","90","","90.53","0.03","90","","8380","4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C90 H51 Cl3 -","- C90 H51 Cl3 -","- C360 H204 Cl12 -","4","1","","Yang, Yong; Nanjo, Yuki; Isobe, Hiroyuki; Sato, Sota","Synthesis and stereoisomerism of [n]cyclo-2,9-phenanthrenylene congeners possessing alternating E/Z- and R/S-biaryl linkages.","Organic & biomolecular chemistry","2020","18","26","4949","4955","10.1039/d0ob01064b","","","0.76","synchrotron","","0.0697","0.0654","","","0.1904","0.1941","","","","","","1.1","","","","has coordinates,has disorder","255094","2020-10-21","18:00:00",""
"7157544","7.662","0.0016","15.949","0.0011","14.374","0.002","90","","99.232","0.004","90","","1733.8","0.5","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C56 H32 -","- C56 H32 -","- C112 H64 -","2","0.5","","Yang, Yong; Nanjo, Yuki; Isobe, Hiroyuki; Sato, Sota","Synthesis and stereoisomerism of [n]cyclo-2,9-phenanthrenylene congeners possessing alternating E/Z- and R/S-biaryl linkages.","Organic & biomolecular chemistry","2020","18","26","4949","4955","10.1039/d0ob01064b","","","0.76","synchrotron","","0.0454","0.0436","","","0.1187","0.1205","","","","","","1.056","","","","has coordinates","255094","2020-10-21","18:00:00",""
"7157545","7.9349","0.0002","8.1555","0.0002","11.7247","0.0003","108.099","0.002","92.6644","0.0019","92.6","0.002","718.99","0.03","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Br I O2 -","- C15 H10 Br I O2 -","- C30 H20 Br2 I2 O4 -","2","1","","Yang, Yong; Nanjo, Yuki; Isobe, Hiroyuki; Sato, Sota","Synthesis and stereoisomerism of [n]cyclo-2,9-phenanthrenylene congeners possessing alternating E/Z- and R/S-biaryl linkages.","Organic & biomolecular chemistry","2020","18","26","4949","4955","10.1039/d0ob01064b","","","1.54184","CuKα","","0.0415","0.0407","","","0.109","0.1095","","","","","","1.075","","","","has coordinates,has disorder","255094","2020-10-21","18:00:00",""
"7157546","12.174","0.002","12.709","0.003","12.335","0.003","90","","117.06","0.03","90","","1699.5","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl N3 O2 -","- C20 H16 Cl N3 O2 -","- C80 H64 Cl4 N12 O8 -","4","1","","Tikhonova, Tatyana A.; Ilment, Nikita V.; Lyssenko, Konstantin A.; Zavarzin, Igor V.; Volkova, Yulia A.","Sulfur-mediated synthesis of unsymmetrically substituted N-aryl oxalamides by the cascade thioamidation/cyclocondensation and hydrolysis reaction.","Organic & biomolecular chemistry","2020","18","26","5050","5060","10.1039/d0ob00811g","","","0.71073","MoKα","","0.0405","0.0353","","","0.0905","0.0943","","","","","","1.034","","","","has coordinates","255095","2020-10-21","18:00:00",""
"7157547","35.957","0.003","6.1171","0.0005","19.5083","0.0015","90","","96.604","0.002","90","","4262.4","0.6","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 Cl N3 O3 S -","- C20 H16 Cl N3 O2 -","- C160 H128 Cl8 N24 O16 -","8","1","","Tikhonova, Tatyana A.; Ilment, Nikita V.; Lyssenko, Konstantin A.; Zavarzin, Igor V.; Volkova, Yulia A.","Sulfur-mediated synthesis of unsymmetrically substituted N-aryl oxalamides by the cascade thioamidation/cyclocondensation and hydrolysis reaction.","Organic & biomolecular chemistry","2020","18","26","5050","5060","10.1039/d0ob00811g","","","0.71073","MoKα","","0.0764","0.0668","","","0.1951","0.2045","","","","","","1.059","","","","has coordinates,has disorder","255095","2020-10-21","18:00:00",""
"7157548","27.7141","0.0013","6.4562","0.0003","20.6251","0.001","90","","128.18","0.001","90","","2900.9","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C144 H112 N32 O8 -","8","1","","Bou-Petit, Elisabeth; Plans, Arnau; Rodríguez-Picazo, Nieves; Torres-Coll, Antoni; Puigjaner, Cristina; Font-Bardia, Mercè; Teixidó, Jordi; Ramon Y Cajal, Santiago; Estrada-Tejedor, Roger; Borrell, José I","C4-C5 fused pyrazol-3-amines: when the degree of unsaturation and electronic characteristics of the fused ring controls regioselectivity in Ullmann and acylation reactions.","Organic & biomolecular chemistry","2020","18","27","5145","5156","10.1039/d0ob00796j","","","0.71073","MoKα","","0.0646","0.0491","","","0.1358","0.1476","","","","","","1.063","","","","has coordinates","255092","2020-10-21","18:00:00",""
"7157549","10.0257","0.0007","13.4533","0.0008","10.8045","0.0007","90","","108.456","0.002","90","","1382.34","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N4 O3 -","- C14 H16 N4 O3 -","- C56 H64 N16 O12 -","4","1","","Bou-Petit, Elisabeth; Plans, Arnau; Rodríguez-Picazo, Nieves; Torres-Coll, Antoni; Puigjaner, Cristina; Font-Bardia, Mercè; Teixidó, Jordi; Ramon Y Cajal, Santiago; Estrada-Tejedor, Roger; Borrell, José I","C4-C5 fused pyrazol-3-amines: when the degree of unsaturation and electronic characteristics of the fused ring controls regioselectivity in Ullmann and acylation reactions.","Organic & biomolecular chemistry","2020","18","27","5145","5156","10.1039/d0ob00796j","","","0.71073","MoKα","","0.0862","0.0532","","","0.1301","0.1615","","","","","","1.034","","","","has coordinates","255092","2020-10-21","18:00:00",""
"7157550","7.2231","0.0002","14.5123","0.0004","22.3944","0.0006","90","","90","","90","","2347.47","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","5","","","- C16 H17 N -","- C16 H17 N -","- C128 H136 N8 -","8","2","","Zonker, Benjamin; Duman, Ediz; Hausmann, Heike; Becker, Jonathan; Hrdina, Radim","[1,2]-Rearrangement of iminium salts provides access to heterocycles with adamantane scaffold.","Organic & biomolecular chemistry","2020","18","26","4941","4945","10.1039/d0ob01156h","","","1.54178","CuKα","","0.0331","0.0318","","","0.0806","0.0818","","","","","","1.041","","","","has coordinates","255096","2020-10-21","18:00:00",""
"7157551","27.1498","0.0009","10.3031","0.0003","11.3085","0.0004","90","","91.1403","0.0016","90","","3162.67","0.18","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","8","","","- C20 H26 N O -","- C20 H26 N O -","- C160 H208 N8 O8 -","8","1","","Zonker, Benjamin; Duman, Ediz; Hausmann, Heike; Becker, Jonathan; Hrdina, Radim","[1,2]-Rearrangement of iminium salts provides access to heterocycles with adamantane scaffold.","Organic & biomolecular chemistry","2020","18","26","4941","4945","10.1039/d0ob01156h","","","0.71073","MoKα","","0.0607","0.046","","","0.1193","0.1303","","","","","","1.039","","","","has coordinates","255096","2020-10-21","18:00:00",""
"7157552","13.2433","0.0003","13.7134","0.0003","15.7312","0.0004","70.848","0.001","80.596","0.001","66.09","0.001","2465.69","0.1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H33 Cl3 F15 N5 O -","- C55 H33 Cl3 F15 N5 O -","- C110 H66 Cl6 F30 N10 O2 -","2","1","","Mori, Daiki; Yoneda, Tomoki; Suzuki, Masaaki; Hoshino, Tyuji; Neya, Saburo","Deprotection of a benzyl unit induces a 22π aromatic macrocycle of 3-oxypyripentaphyrin(0.1.1.1.0) with strong NIR absorption.","Organic & biomolecular chemistry","2020","18","28","5334","5338","10.1039/d0ob01213k","","","1.54187","CuKα","","0.116","0.0841","","","0.2201","0.2495","","","","","","1.12","","","","has coordinates,has disorder","255085","2020-10-21","18:00:00",""
"7157553","12.2776","0.0003","13.0559","0.0003","16.5083","0.0004","105.241","0.001","110.613","0.001","98.939","0.002","2297.85","0.1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H24 Cl6 F15 N5 O -","- C48 H24 Cl6 F15 N5 O -","- C96 H48 Cl12 F30 N10 O2 -","2","1","","Mori, Daiki; Yoneda, Tomoki; Suzuki, Masaaki; Hoshino, Tyuji; Neya, Saburo","Deprotection of a benzyl unit induces a 22π aromatic macrocycle of 3-oxypyripentaphyrin(0.1.1.1.0) with strong NIR absorption.","Organic & biomolecular chemistry","2020","18","28","5334","5338","10.1039/d0ob01213k","","","1.54187","CuKα","","0.1432","0.0965","","","0.2355","0.2705","","","","","","1.049","","","","has coordinates","255085","2020-10-21","18:00:00",""
"7157554","7.9726","0.0002","30.0112","0.0008","11.2602","0.0003","90","","100.176","0.003","90","","2651.82","0.12","99.96","0.11","99.96","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H35 N3 O6 -","- C29 H35 N3 O6 -","- C116 H140 N12 O24 -","4","2","","Young, Matthew J.; Akien, Geoffrey R.; Evans, Nicholas H.","An amide hydrogen bond templated [1]rotaxane displaying a peptide motif - demonstrating an expedient route to synthetic mimics of lasso peptides.","Organic & biomolecular chemistry","2020","18","27","5203","5209","10.1039/d0ob01190h","","x-ray","1.54184","CuKα","","0.0667","0.0639","","","0.1809","0.1835","","","","","","1.074","","","","has coordinates,has disorder","255089","2020-10-21","18:00:00",""
"7157555","10.382","0.003","15.766","0.004","20.036","0.006","90","","90","","90","","3279.5","1.6","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H40 Br N O2 -","- C38 H40 Br N O2 -","- C152 H160 Br4 N4 O8 -","4","1","","Wu, Shu-Fang; Tu, Man-Su; Hang, Qing-Qing; Zhang, Shu; Ding, Haixia; Zhang, Yu-Chen; Shi, Feng","Construction of chiral chroman scaffolds via catalytic asymmetric (4 + 2) cyclizations of para-quinone methide derivatives with 3-vinylindoles.","Organic & biomolecular chemistry","2020","18","28","5388","5399","10.1039/d0ob01049a","","","0.71073","MoKα","","0.1011","0.0594","","","0.1422","0.1594","","","","","","1.031","","","","has coordinates","255086","2020-10-21","18:00:00",""
"7157556","25.7843","0.0004","5.307","0.0001","18.5521","0.0003","90","","95.228","0.001","90","","2528.06","0.07","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28.75 H27 Br N2 O4 -","- C28.75 H27 Br N2 O4 -","- C115 H108 Br4 N8 O16 -","4","1","","Roesner, Stefan; Beadle, Jonathan D.; Tam, Leo K. B.; Wilkening, Ina; Clarkson, Guy J.; Raubo, Piotr; Shipman, Michael","Development of oxetane modified building blocks for peptide synthesis.","Organic & biomolecular chemistry","2020","18","28","5400","5405","10.1039/d0ob01208d","","x-ray","1.54178","CuKα","","0.0775","0.0722","","","0.1947","0.2005","","","","","","1.054","","","","has coordinates,has disorder","255087","2020-10-21","18:00:00",""
"7157557","11.536","0.002","8.2902","0.0017","18.32","0.004","90","","108.28","0.03","90","","1663.6","0.6","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Zhang, Heng; Yu, Yinghua; Huang, Xueliang","Facile access to 2,2-diaryl 2H-chromenes through a palladium-catalyzed cascade reaction of ortho-vinyl bromobenzenes with N-tosylhydrazones.","Organic & biomolecular chemistry","2020","18","27","5115","5119","10.1039/d0ob00978d","","","0.71073","MoKα","","0.0626","0.0449","","","0.1149","0.1329","","","","","","1.121","","","","has coordinates","255091","2020-10-21","18:00:00",""
"7157558","20.474","0.005","20.474","0.005","9.72","0.003","90","","90","","90","","4074.5","1.9","293","2","293","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C21 H16.5 Br2 O2.25 -","- C21 H16 Br2 O2.25 -","- C168 H128 Br16 O18 -","8","1","","Zhang, Heng; Yu, Yinghua; Huang, Xueliang","Facile access to 2,2-diaryl 2H-chromenes through a palladium-catalyzed cascade reaction of ortho-vinyl bromobenzenes with N-tosylhydrazones.","Organic & biomolecular chemistry","2020","18","27","5115","5119","10.1039/d0ob00978d","","","0.71073","MoKα","","0.0829","0.0651","","","0.1948","0.214","","","","","","1.08","","","","has coordinates","255091","2020-10-21","18:00:00",""
"7157559","9.99","0.004","10.558","0.004","21.868","0.009","78.978","0.012","77.06","0.01","85.471","0.013","2204.9","1.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 O2 S -","- C28 H24 O2 S -","- C112 H96 O8 S4 -","4","2","","Zhang, Heng; Yu, Yinghua; Huang, Xueliang","Facile access to 2,2-diaryl 2H-chromenes through a palladium-catalyzed cascade reaction of ortho-vinyl bromobenzenes with N-tosylhydrazones.","Organic & biomolecular chemistry","2020","18","27","5115","5119","10.1039/d0ob00978d","","","0.71073","MoKα","","0.0707","0.0559","","","0.1213","0.1295","","","","","","1.118","","","","has coordinates","255091","2020-10-21","18:00:00",""
"7157560","16.94","0.003","10.721","0.002","10.61","0.002","90","","101.81","0.03","90","","1886.1","0.6","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Br O -","- C25 H17 Br O -","- C100 H68 Br4 O4 -","4","1","","Zhang, Heng; Yu, Yinghua; Huang, Xueliang","Facile access to 2,2-diaryl 2H-chromenes through a palladium-catalyzed cascade reaction of ortho-vinyl bromobenzenes with N-tosylhydrazones.","Organic & biomolecular chemistry","2020","18","27","5115","5119","10.1039/d0ob00978d","","","0.71073","MoKα","","0.0601","0.0361","","","0.0855","0.0952","","","","","","0.933","","","","has coordinates","255091","2020-10-21","18:00:00",""
"7157561","19.4194","0.0006","6.3668","0.0002","42.5242","0.0013","90","","90","","90","","5257.7","0.3","110","1","110","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H32 F2 O2 -","- C33 H32 F2 O2 -","- C264 H256 F16 O16 -","8","2","","Kim, Jung Keun; Gong, Ming; Shokova, Elvira A.; Tafeenko, Viktor A.; Kovaleva, Olga V.; Wu, Yangjie; Kovalev, Vladimir V.","Pyrazoles: 'one-pot' synthesis from arenes and carboxylic acids.","Organic & biomolecular chemistry","2020","18","29","5625","5638","10.1039/d0ob01228a","","","1.54186","CuKα","","0.0995","0.0612","","","0.1448","0.1611","","","","","","0.874","","","","has coordinates","255080","2020-10-21","18:00:00",""
"7157562","15.0563","0.0004","9.004","0.0002","17.4709","0.0005","90","","100.4","0.002","90","","2329.57","0.11","295","2","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 F2 N2 -","- C27 H26 F2 N2 -","- C108 H104 F8 N8 -","4","1","","Kim, Jung Keun; Gong, Ming; Shokova, Elvira A.; Tafeenko, Viktor A.; Kovaleva, Olga V.; Wu, Yangjie; Kovalev, Vladimir V.","Pyrazoles: 'one-pot' synthesis from arenes and carboxylic acids.","Organic & biomolecular chemistry","2020","18","29","5625","5638","10.1039/d0ob01228a","","","1.54186","CuKα","","0.0713","0.042","","","0.1121","0.1235","","","","","","0.932","","","","has coordinates","255080","2020-10-21","18:00:00",""
"7157563","13.0983","0.0004","14.8761","0.0004","16.8995","0.0005","89.435","0.002","81.488","0.003","87.41","0.003","3253.28","0.17","295","2","295","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H74 Cl4 F4 N4 O5 -","- C70 H74 Cl4 F4 N4 O5 -","- C140 H148 Cl8 F8 N8 O10 -","2","1","","Kim, Jung Keun; Gong, Ming; Shokova, Elvira A.; Tafeenko, Viktor A.; Kovaleva, Olga V.; Wu, Yangjie; Kovalev, Vladimir V.","Pyrazoles: 'one-pot' synthesis from arenes and carboxylic acids.","Organic & biomolecular chemistry","2020","18","29","5625","5638","10.1039/d0ob01228a","","","1.54186","CuKα","","0.1524","0.0588","","","0.1371","0.1608","","","","","","0.884","","","","has coordinates","255080","2020-10-21","18:00:00",""
"7157564","10.295","0.009","11.374","0.008","36.37","0.03","90","","90","","90","","4259","6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H45 N6 O7 S2 -","- C46 H45 N6 O7 S2 -","- C184 H180 N24 O28 S8 -","4","1","","Salunke, Rahul Vilas; Mishra, Pawan Kumar; Sanghvi, Yogesh S.; Ramesh, Namakkal G.","Synthesis of novel homoazanucleosides and their peptidyl analogs.","Organic & biomolecular chemistry","2020","18","29","5639","5651","10.1039/d0ob01046d","","","0.71073","MoKα","","0.3148","0.1246","","","0.2737","0.3622","","","","","","1","","","","has coordinates","255077","2020-10-21","18:00:00",""
"7157565","5.4636","0.001","15.231","0.003","18.032","0.004","90","","90","","90","","1500.6","0.5","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 Cl2 N4 O4 -","- C11 H20 Cl2 N4 O4 -","- C44 H80 Cl8 N16 O16 -","4","1","","Salunke, Rahul Vilas; Mishra, Pawan Kumar; Sanghvi, Yogesh S.; Ramesh, Namakkal G.","Synthesis of novel homoazanucleosides and their peptidyl analogs.","Organic & biomolecular chemistry","2020","18","29","5639","5651","10.1039/d0ob01046d","","","0.71073","MoKα","","0.0587","0.0524","","","0.1395","0.1438","","","","","","1.086","","","","has coordinates","255077","2020-10-21","18:00:00",""
"7157566","12.1801","0.00012","12.77485","0.0001","25.8213","0.0002","90","","90","","90","","4017.77","0.06","100","0.1","100.01","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C44 H46 Cl Fe2 N2 O2 P Pd2 -","- C44 H46 Cl Fe2 N2 O2 P Pd2 -","- C176 H184 Cl4 Fe8 N8 O8 P4 Pd8 -","4","1","","Arthurs, Ross A.; Hughes, David L.; Richards, Christopher J.","Planar chiral palladacycle precatalysts for asymmetric synthesis.","Organic & biomolecular chemistry","2020","18","28","5466","5472","10.1039/d0ob01331e","","x-ray","0.71073","MoKα","","0.015","0.0147","","","0.0377","0.0378","","","","","","1.068","","","","has coordinates","255088","2020-10-21","18:00:00",""
"7157567","6.155","0.0005","15.283","0.0011","10.6069","0.0009","90","","94.491","0.006","90","","994.69","0.14","298","2","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H19 F N2 O2 -","- C25 H19 F N2 O2 -","- C50 H38 F2 N4 O4 -","2","1","","Saini, Kapil Mohan; Saunthwal, Rakesh K.; Sushmita, ?; Verma, Akhilesh K.","Synthesis of cyclopentaquinolinone and cyclopentapyridinone from ortho-alkynyl-N-arylaldehyde via superbase-promoted C-N, C-O and C-C bond formation.","Organic & biomolecular chemistry","2020","18","29","5594","5601","10.1039/d0ob01281e","","","0.71073","MoKα","","0.0987","0.0579","","","0.1079","0.1348","","","","","","1.007","","","","has coordinates","255081","2020-10-21","18:00:00",""
"7157568","16.8293","0.0003","16.2265","0.0002","20.227","0.0003","90","","109.526","0.0019","90","","5205.93","0.15","141.3","0.2","141.3","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 F3 N6 O -","- C31 H21 F3 N6 O -","- C248 H168 F24 N48 O8 -","8","2","","Deng, Jiajie; Wu, Xueting; Guo, Guiling; Zhao, Xiaohu; Yu, Zhipeng","Photoisomerization-enhanced 1,3-dipolar cycloaddition of carbon-bridged octocyclic azobenzene with photo-released nitrile imine for peptide stapling and imaging in live cells.","Organic & biomolecular chemistry","2020","18","29","5602","5607","10.1039/d0ob01027h","","x-ray","1.54184","CuKα","","0.0706","0.0632","","","0.1728","0.1825","","","","","","1.024","","","","has coordinates","255082","2020-10-21","18:00:00",""
"7157569","12.3316","0.0005","12.7106","0.0005","14.1603","0.0006","90","","90","","90","","2219.51","0.16","139","","139","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C112 H96 N16 -","8","1","","Deng, Jiajie; Wu, Xueting; Guo, Guiling; Zhao, Xiaohu; Yu, Zhipeng","Photoisomerization-enhanced 1,3-dipolar cycloaddition of carbon-bridged octocyclic azobenzene with photo-released nitrile imine for peptide stapling and imaging in live cells.","Organic & biomolecular chemistry","2020","18","29","5602","5607","10.1039/d0ob01027h","","x-ray","1.54184","CuKα","","0.0563","0.0539","","","0.1424","0.1454","","","","","","1.066","","","","has coordinates","255082","2020-10-21","18:00:00",""
"7157570","4.7274","0.0002","17.782","0.0005","10.734","0.0004","90","","98.994","0.004","90","","891.23","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","febuxostat ethanol solvate","2-(3-cyano-4-isobutyloxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid ethanol solvate","","- C18 H22 N2 O4 S -","- C18 H22 N2 O4 S -","- C36 H44 N4 O8 S2 -","2","1","","Zhao, Jia-Hui; Zhou, Zhao-Zhao; Zhang, Yue; Su, Xuan; Chen, Xi-Meng; Liang, Yong-Min","Visible-light-mediated borylation of aryl and alkyl halides with a palladium complex.","Organic & biomolecular chemistry","2020","18","23","4390","4394","10.1039/d0ob00028k","","x-ray","0.71073","MoKα","","0.0325","0.0298","","","0.0743","0.0768","","","","","","1.041","","","","has coordinates","257924","2020-10-21","18:00:00",""
"7157571","5.6626","0.0004","9.7839","0.0008","32.396","0.002","90","","89.786","0.006","90","","1794.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Br O -","- C23 H21 Br O -","- C92 H84 Br4 O4 -","4","1","","Satam, Nishikant; Nemu, Saumyadip; Gururaja, Guddeangadi N.; Namboothiri, Irishi N. N.","Substrate-oriented selectivity in the Mg-mediated conjugate addition of bromoform to electron-deficient alkenes.","Organic & biomolecular chemistry","2020","18","29","5697","5707","10.1039/d0ob00599a","","","0.71073","MoKα","","0.0685","0.0464","","","0.0918","0.1026","","","","","","1.031","","","","has coordinates","255083","2020-10-21","18:00:00",""
"7157572","9.3505","0.0004","14.6227","0.0006","13.7913","0.0006","90","","94.177","0.004","90","","1880.67","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Br2 O -","- C22 H20 Br2 O -","- C88 H80 Br8 O4 -","4","1","","Satam, Nishikant; Nemu, Saumyadip; Gururaja, Guddeangadi N.; Namboothiri, Irishi N. N.","Substrate-oriented selectivity in the Mg-mediated conjugate addition of bromoform to electron-deficient alkenes.","Organic & biomolecular chemistry","2020","18","29","5697","5707","10.1039/d0ob00599a","","x-ray","0.71073","MoKα","","0.0442","0.0318","","","0.069","0.0749","","","","","","1.064","","","","has coordinates","255083","2020-10-21","18:00:00",""
"7157573","9.541","0.003","16.928","0.005","12.1","0.004","90","","102.664","0.004","90","","1906.7","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Br2 N O -","- C23 H17 Br2 N O -","- C92 H68 Br8 N4 O4 -","4","1","","Satam, Nishikant; Nemu, Saumyadip; Gururaja, Guddeangadi N.; Namboothiri, Irishi N. N.","Substrate-oriented selectivity in the Mg-mediated conjugate addition of bromoform to electron-deficient alkenes.","Organic & biomolecular chemistry","2020","18","29","5697","5707","10.1039/d0ob00599a","","","0.7107","MoKα","","0.045","0.0365","","","0.0815","0.0832","","","","","","0.941","","","","has coordinates","255083","2020-10-21","18:00:00",""
"7157574","8.002","0.0016","12.123","0.002","12.728","0.003","75.11","0.03","76.29","0.03","77.95","0.03","1144.8","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N4 O5 -","- C27 H24 N4 O5 -","- C54 H48 N8 O10 -","2","1","","Cheng, Cheng; Sun, Xiaobin; Miao, Zhiwei","A PPh<sub>3</sub>-catalyzed sequential annulation reaction to construct cyclopentane-fused dihydropyrazolone-pyrrolidinediones.","Organic & biomolecular chemistry","2020","18","29","5577","5581","10.1039/d0ob00815j","","","0.71073","MoKα","","0.0849","0.0524","","","0.1247","0.1699","","","","","","1.013","","","","has coordinates","255084","2020-10-21","18:00:00",""
"7157575","9.2914","0.0001","14.7113","0.0002","9.9029","0.0001","90","","94.55","0.001","90","","1349.35","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-((1S,2R)-2-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(2-fluorophenyl)-2-phenylethyl)furan-3-carbaldehyde","","- C33 H35 F O3 -","- C33 H35 F O3 -","- C66 H70 F2 O6 -","2","1","","Przydacz, Artur; Dyguda, Mateusz; Topolska, Aleksandra; Skrzyńska, Anna; Xu, Chang-Jiang; Chen, Ying-Chun; Albrecht, Łukasz","Doubly vinylogous and doubly rearomative functionalization of 2-alkyl-3-furfurals.","Organic & biomolecular chemistry","2020","18","30","5816","5821","10.1039/d0ob00788a","","x-ray","1.54184","CuKα","","0.032","0.0313","","","0.0927","0.0931","","","","","","1.079","","","","has coordinates","257912","2020-10-21","18:00:00",""
"7157576","12.1334","0.0013","10.35","0.0011","18.7632","0.0018","90","","95.327","0.01","90","","2346.1","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 O4 -","- C29 H30 O4 -","- C116 H120 O16 -","4","1","","Basu, Pallabita; Satam, Nishikant; Namboothiri, Irishi N. N.","Synthesis of indenofurans, benzofurans and spiro-lactones via Hauser-Kraus annulation involving 1,6-addition of phthalide to quinone methides.","Organic & biomolecular chemistry","2020","18","29","5677","5687","10.1039/d0ob01115k","","","0.71073","MoKα","","0.1488","0.0691","","","0.1184","0.163","","","","","","1.006","","","","has coordinates","298703","2025-04-03","05:34:21",""
"7157577","19.904","0.0006","11.4024","0.0004","21.6619","0.0007","90","","90","","90","","4916.2","0.3","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H30 O4 -","- C29 H30 O4 -","- C232 H240 O32 -","8","1","","Basu, Pallabita; Satam, Nishikant; Namboothiri, Irishi N. N.","Synthesis of indenofurans, benzofurans and spiro-lactones via Hauser-Kraus annulation involving 1,6-addition of phthalide to quinone methides.","Organic & biomolecular chemistry","2020","18","29","5677","5687","10.1039/d0ob01115k","","","0.71073","MoKα","","0.0628","0.0498","","","0.1223","0.1309","","","","","","1.164","","","","has coordinates","255079","2020-10-21","18:00:00",""
"7157578","8.648","0.0007","17.1737","0.0013","18.084","0.0017","90","","98.244","0.008","90","","2658","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 O4 -","- C30 H30 O4 -","- C120 H120 O16 -","4","1","","Basu, Pallabita; Satam, Nishikant; Namboothiri, Irishi N. N.","Synthesis of indenofurans, benzofurans and spiro-lactones via Hauser-Kraus annulation involving 1,6-addition of phthalide to quinone methides.","Organic & biomolecular chemistry","2020","18","29","5677","5687","10.1039/d0ob01115k","","","0.71073","MoKα","","0.1276","0.0738","","","0.1989","0.271","","","","","","1.057","","","","has coordinates","255079","2020-10-21","18:00:00",""
"7157579","8.1345","0.0002","11.3251","0.0003","19.1576","0.0005","90","","92.945","0.007","90","","1762.54","0.08","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H15 Cl -","- C26 H15 Cl -","- C104 H60 Cl4 -","4","1","","Takano, Hideaki; Okazaki, Sari; Nishibe, Shun; Ito, Takeharu; Shiozawa, Natsumi; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori","Gold-catalyzed dual C-C bond cleavage of biphenylenes bearing a pendant alkyne at ambient temperature.","Organic & biomolecular chemistry","2020","18","30","5826","5831","10.1039/d0ob01211d","","","1.54187","CuKα","","0.0774","0.0581","","","0.1402","0.1529","","","","","","1.027","","","","has coordinates","257916","2020-10-21","18:00:00",""
"7157580","7.5655","0.0002","10.9027","0.0003","11.088","0.0003","113.594","0.008","103.447","0.007","93.898","0.007","801.74","0.08","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H17 Cl -","- C23 H17 Cl -","- C46 H34 Cl2 -","2","1","","Takano, Hideaki; Okazaki, Sari; Nishibe, Shun; Ito, Takeharu; Shiozawa, Natsumi; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori","Gold-catalyzed dual C-C bond cleavage of biphenylenes bearing a pendant alkyne at ambient temperature.","Organic & biomolecular chemistry","2020","18","30","5826","5831","10.1039/d0ob01211d","","","1.54187","CuKα","","0.0508","0.0459","","","0.1253","0.1279","","","","","","1.113","","","","has coordinates","257916","2020-10-21","18:00:00",""
"7157581","19.2706","0.0014","4.9741","0.0004","33.688","0.002","90","","102.847","0.007","90","","3148.3","0.4","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 Cl -","- C23 H17 Cl -","- C184 H136 Cl8 -","8","1","","Takano, Hideaki; Okazaki, Sari; Nishibe, Shun; Ito, Takeharu; Shiozawa, Natsumi; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori","Gold-catalyzed dual C-C bond cleavage of biphenylenes bearing a pendant alkyne at ambient temperature.","Organic & biomolecular chemistry","2020","18","30","5826","5831","10.1039/d0ob01211d","","","1.54187","CuKα","","0.1933","0.0883","","","0.132","0.1586","","","","","","1.031","","","","has coordinates","257916","2020-10-21","18:00:00",""
"7157582","10.333","0.004","10.46","0.004","11.583","0.005","88.838","0.005","68.455","0.005","79.684","0.006","1144.2","0.8","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 F3 N O2 -","- C29 H20 F3 N O2 -","- C58 H40 F6 N2 O4 -","2","1","","Zhang, Yi-Zhu; Sheng, Feng-Tao; Zhu, Zuoquan; Li, Zhi-Ming; Zhang, Shu; Tan, Wei; Shi, Feng","Organocatalytic C3-functionalization of indolizines: synthesis of biologically important indolizine derivatives.","Organic & biomolecular chemistry","2020","18","29","5688","5696","10.1039/d0ob01230k","","","0.71073","MoKα","","0.0887","0.0555","","","0.142","0.1617","","","","","","1.034","","","","has coordinates,has disorder","255078","2020-10-21","18:00:00",""
"7157583","4.837","0.0016","12.644","0.004","18.82","0.007","90","","91.7","0.006","90","","1150.5","0.7","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 F3 O3 S -","- C10 H9 F3 O3 S -","- C40 H36 F12 O12 S4 -","4","1","","Wang, Meng-Yue; Zhu, Xue-Qing; Zhang, Xing-Long; Guo, Rui-Li; Jia, Qiong; Wang, Yong-Qiang","Synthesis of trifluoromethylthioesters from aldehydes via a visible light-promoted radical process.","Organic & biomolecular chemistry","2020","18","30","5918","5926","10.1039/d0ob01160f","","","0.71073","MoKα","","0.0861","0.0512","","","0.116","0.1315","","","","","","1.013","","","","has coordinates","257915","2020-10-21","18:00:00",""
"7157584","23.1727","0.0009","29.8856","0.0016","8.3703","0.0003","90","","90","","90","","5796.7","0.4","120","2","120","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","(E)-11,13-bis(benzyloxy)-4,5,5,9-tetramethyl-4,5,6,7-tetrahydro-2H-benzo[d][1]oxacyclododecine-2,10(1H)-dione","","- C33 H36 O5 -","- C33 H36 O5 -","- C264 H288 O40 -","8","1","","Weber, Carina; Vierengel, Nina; Walter, Thorsten; Behrendt, Torsten; Lucas, Tobias; Erkel, Gerhard; Opatz, Till","Total synthesis and biological evaluation of seven new anti-inflammatory oxacyclododecindione-type macrolactones.","Organic & biomolecular chemistry","2020","18","30","5906","5917","10.1039/d0ob00958j","","","1.54178","CuKα","","0.1735","0.1103","","","0.2688","0.3518","","","","","","1.065","","","","has coordinates","257914","2020-10-21","18:00:00",""
"7157585","7.2297","0.0006","15.8502","0.0009","25.683","0.002","90","","95.935","0.007","90","","2927.3","0.4","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-11,13-bis(benzyloxy)-9-ethyl-4,5,5-trimethyl-4,5,6,7-tetrahydro-2H-benzo[d][1]oxacyclododecine-2,10(1H)-dione","","- C34 H38 O5 -","- C34 H38 O5 -","- C136 H152 O20 -","4","1","","Weber, Carina; Vierengel, Nina; Walter, Thorsten; Behrendt, Torsten; Lucas, Tobias; Erkel, Gerhard; Opatz, Till","Total synthesis and biological evaluation of seven new anti-inflammatory oxacyclododecindione-type macrolactones.","Organic & biomolecular chemistry","2020","18","30","5906","5917","10.1039/d0ob00958j","","","0.71073","MoKα","","0.1988","0.1002","","","0.1559","0.2032","","","","","","1.135","","","","has coordinates,has disorder","257914","2020-10-21","18:00:00",""
"7157586","11.1913","0.0005","36.617","0.002","8.3725","0.0005","90","","90","","90","","3431","0.3","120","2","120","2","","","","","","","","4","I b a 2","I 2 -2c","45","","(E)-14-chloro-11,13-dihydroxy-4,5,5,9-tetramethyl-4,5,6,7-tetrahydro-2H-benzo[d][1]oxacyclododecine-2,10(1H)-dione","","- C19 H23 Cl O5 -","- C19 H23 Cl O5 -","- C152 H184 Cl8 O40 -","8","1","","Weber, Carina; Vierengel, Nina; Walter, Thorsten; Behrendt, Torsten; Lucas, Tobias; Erkel, Gerhard; Opatz, Till","Total synthesis and biological evaluation of seven new anti-inflammatory oxacyclododecindione-type macrolactones.","Organic & biomolecular chemistry","2020","18","30","5906","5917","10.1039/d0ob00958j","","","0.71073","MoKα","","0.0651","0.0472","","","0.1008","0.114","","","","","","1.07","","","","has coordinates","257914","2020-10-21","18:00:00",""
"7157587","7.5792","0.0005","17.262","0.0008","7.5865","0.0003","90","","95.065","0.005","90","","988.68","0.09","293.61","0.1","293.61","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Ren, Panlong; Miao, Xinyu; Tang, Ting; Wu, Yueting; Wang, Jing; Zeng, Ying; Li, Yun; Gao, Kun; Yang, Yan-Long","Construction of a meroterpenoid-like compound collection by precursor-assisted biosynthesis.","Organic & biomolecular chemistry","2020","18","30","5850","5856","10.1039/d0ob01235a","","x-ray","1.54184","CuKα","","0.0573","0.0451","","","0.1163","0.1279","","","","","","1.033","","","","has coordinates","257918","2020-10-21","18:00:00",""
"7157588","32.6901","0.0005","12.36143","0.00017","7.35394","0.00011","90","","90","","90","","2971.7","0.08","294.04","0.1","294.04","0.1","","","","","","","","3","P c c a","-P 2a 2ac","54","","","","- C16 H22 O5 -","- C16 H22 O5 -","- C128 H176 O40 -","8","1","","Ren, Panlong; Miao, Xinyu; Tang, Ting; Wu, Yueting; Wang, Jing; Zeng, Ying; Li, Yun; Gao, Kun; Yang, Yan-Long","Construction of a meroterpenoid-like compound collection by precursor-assisted biosynthesis.","Organic & biomolecular chemistry","2020","18","30","5850","5856","10.1039/d0ob01235a","","x-ray","1.54184","CuKα","","0.0445","0.0396","","","0.1035","0.1081","","","","","","1.028","","","","has coordinates","257918","2020-10-21","18:00:00",""
"7157589","10.2175","0.0005","13.7827","0.0005","12.933","0.0005","90","","111.529","0.005","90","","1694.22","0.14","293.83","0.1","293.83","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","1","","Ren, Panlong; Miao, Xinyu; Tang, Ting; Wu, Yueting; Wang, Jing; Zeng, Ying; Li, Yun; Gao, Kun; Yang, Yan-Long","Construction of a meroterpenoid-like compound collection by precursor-assisted biosynthesis.","Organic & biomolecular chemistry","2020","18","30","5850","5856","10.1039/d0ob01235a","","","1.54184","CuKα","","0.062","0.0508","","","0.1343","0.1469","","","","","","1.065","","","","has coordinates","257918","2020-10-21","18:00:00",""
"7157590","8.3946","0.0002","11.481","0.0003","15.2872","0.0004","90","","90","","90","","1473.36","0.06","292.64","0.1","292.64","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Ren, Panlong; Miao, Xinyu; Tang, Ting; Wu, Yueting; Wang, Jing; Zeng, Ying; Li, Yun; Gao, Kun; Yang, Yan-Long","Construction of a meroterpenoid-like compound collection by precursor-assisted biosynthesis.","Organic & biomolecular chemistry","2020","18","30","5850","5856","10.1039/d0ob01235a","","","1.54184","CuKα","","0.0319","0.0288","","","0.0696","0.0718","","","","","","1.053","","","","has coordinates","257918","2020-10-21","18:00:00",""
"7157591","27.5479","0.0008","6.3331","0.0002","18.4336","0.0005","90","","91.28","0.003","90","","3215.19","0.16","292.1","0.1","292.1","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C136 H192 O32 -","8","1","","Ren, Panlong; Miao, Xinyu; Tang, Ting; Wu, Yueting; Wang, Jing; Zeng, Ying; Li, Yun; Gao, Kun; Yang, Yan-Long","Construction of a meroterpenoid-like compound collection by precursor-assisted biosynthesis.","Organic & biomolecular chemistry","2020","18","30","5850","5856","10.1039/d0ob01235a","","","1.54184","CuKα","","0.0432","0.0391","","","0.1074","0.1114","","","","","","1.057","","","","has coordinates","257918","2020-10-21","18:00:00",""
"7157592","9.8324","0.0003","10.2354","0.0003","15.6234","0.0005","103.229","0.001","97.742","0.001","105.191","0.001","1445.05","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H29 N O3 -","- C38 H29 N O3 -","- C76 H58 N2 O6 -","2","1","","Yang, Ye-Fei; Huang, Xiao-Bo; Gao, Wen-Xia; Zhou, Yun-Bing; Liu, Miao-Chang; Wu, Hua-Yue","Ag<sub>2</sub>O-promoted ring-opening reactions of cyclopropenones with oximes.","Organic & biomolecular chemistry","2020","18","30","5822","5825","10.1039/d0ob00601g","","","0.71073","MoKα","","0.0554","0.041","","","0.0995","0.111","","","","","","1.044","","","","has coordinates","257917","2020-10-21","18:00:00",""
"7157593","9.0969","0.0008","11.7978","0.0008","14.1107","0.0011","90","","97.79","0.008","90","","1500.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O S2 -","- C15 H14 N2 O S2 -","- C60 H56 N8 O4 S8 -","4","1","","Shally, ?; Althagafi, Ismail; Shaw, Ranjay; Elagamy, Amr; Kumar, Abhinav; Pratap, Ramendra","A [5 + 1] annulation strategy for the synthesis of multifunctional biaryls and p-teraryls from 1,6-Michael acceptor ketene dithioacetals.","Organic & biomolecular chemistry","2020","18","32","6407","6417","10.1039/d0ob00998a","","","0.71073","MoKα","","0.0551","0.0425","","","0.107","0.1326","","","","","","0.425","","","","has coordinates","256161","2020-10-21","18:00:00",""
"7157594","8.4509","0.0008","10.7362","0.0009","11.5735","0.0009","108.414","0.007","104.992","0.007","100.036","0.007","924.09","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Br N3 O2 S -","- C20 H14 Br N3 O2 S -","- C40 H28 Br2 N6 O4 S2 -","2","1","","Shally, ?; Althagafi, Ismail; Shaw, Ranjay; Elagamy, Amr; Kumar, Abhinav; Pratap, Ramendra","A [5 + 1] annulation strategy for the synthesis of multifunctional biaryls and p-teraryls from 1,6-Michael acceptor ketene dithioacetals.","Organic & biomolecular chemistry","2020","18","32","6407","6417","10.1039/d0ob00998a","","","0.71073","MoKα","","0.1028","0.0661","","","0.2086","0.2492","","","","","","0.864","","","","has coordinates","256161","2020-10-21","18:00:00",""
"7157595","8.2991","0.0006","9.0692","0.0006","13.6609","0.0009","94.077","0.005","104.535","0.006","105.981","0.006","945.91","0.12","298","","298","","","","","","","","","3","P -1","-P 1","2","","abc","","- C23 H26 N2 -","- C23 H26 N2 -","- C46 H52 N4 -","2","1","","Shaw, Ranjay; Althagafi, Ismail; Elagamy, Amr; Rai, Reeta; Shah, Chandan; Nemaysh, Vishal; Singh, Harpreet; Pratap, Ramendra","Transition metal-free synthesis of sterically hindered allylarenes from 5-hexene-2-one.","Organic & biomolecular chemistry","2020","18","32","6276","6286","10.1039/d0ob01318h","","x-ray","0.71073","MoKα","","0.1232","0.063","","","0.1249","0.1583","","","","","","1.0431","","","","has coordinates","256163","2020-10-21","18:00:00",""
"7157596","9.0216","0.0003","10.1719","0.0003","17.318","0.0007","90","","101.519","0.004","90","","1557.21","0.1","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","prs315B","","- C18 H17 N S -","- C18 H17 N S -","- C72 H68 N4 S4 -","4","1","","Shaw, Ranjay; Althagafi, Ismail; Elagamy, Amr; Rai, Reeta; Shah, Chandan; Nemaysh, Vishal; Singh, Harpreet; Pratap, Ramendra","Transition metal-free synthesis of sterically hindered allylarenes from 5-hexene-2-one.","Organic & biomolecular chemistry","2020","18","32","6276","6286","10.1039/d0ob01318h","","x-ray","0.71073","MoKα","","0.0675","0.045","","","0.0899","0.099","","","","","","1.0456","","","","has coordinates","297561","2025-02-01","07:07:34",""
"7157597","7.6988","0.0002","11.4847","0.0003","30.9861","0.0009","90","","90","","90","","2739.74","0.13","100","","100.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 N O2 S -","- C17 H13 N O2 S -","- C136 H104 N8 O16 S8 -","8","1","","Dai, Tianzi; Cui, Chen; Qi, Xueyu; Cheng, Yanshu; He, Qian; Zhang, Xiaofei; Luo, Xiaomin; Yang, Chunhao","Regioselective synthesis of substituted thiazoles via cascade reactions from 3-chlorochromones and thioamides.","Organic & biomolecular chemistry","2020","18","31","6162","6170","10.1039/d0ob01019g","","","0.71073","MoKα","","0.0635","0.0447","","","0.0974","0.1082","","","","","","1.021","","","","has coordinates","256173","2020-10-21","18:00:00",""
"7157598","7.4364","0.0005","26.4068","0.0016","8.4485","0.0005","90","","94.973","0.002","90","","1652.8","0.18","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N O2 S -","- C20 H15 N O2 S -","- C80 H60 N4 O8 S4 -","4","1","","Sarkar, Writhabrata; Bhowmik, Arup; Das, Sumit; Sulekha, Aiswarya Balaram; Mishra, Aniket; Deb, Indubhusan","Iridium-catalyzed direct C-H arylation of cyclic <i>N</i>-sulfonyl ketimines with arylsiloxanes at ambient temperature.","Organic & biomolecular chemistry","2020","18","36","7074","7078","10.1039/d0ob01212b","","","0.71073","MoKα","","0.0477","0.0461","","","0.1078","0.1089","","","","","","1.086","","","","has coordinates","258969","2020-11-06","13:12:26",""
"7157599","9.9907","0.0002","8.1808","0.0002","19.0908","0.0005","90","","90.216","0.001","90","","1560.32","0.06","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N O3 S -","- C19 H13 N O3 S -","- C76 H52 N4 O12 S4 -","4","1","","Sarkar, Writhabrata; Bhowmik, Arup; Das, Sumit; Sulekha, Aiswarya Balaram; Mishra, Aniket; Deb, Indubhusan","Iridium-catalyzed direct C-H arylation of cyclic <i>N</i>-sulfonyl ketimines with arylsiloxanes at ambient temperature.","Organic & biomolecular chemistry","2020","18","36","7074","7078","10.1039/d0ob01212b","","","1.54184","CuKα","","0.0622","0.0589","","","0.1253","0.1269","","","","","","1.226","","","","has coordinates","258969","2020-11-06","13:12:35",""
"7157600","8.107","0.007","11.495","0.009","19.194","0.016","90","","93.585","0.01","90","","1785","3","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N O4 S -","- C20 H15 N O4 S -","- C80 H60 N4 O16 S4 -","4","1","","Sarkar, Writhabrata; Bhowmik, Arup; Das, Sumit; Sulekha, Aiswarya Balaram; Mishra, Aniket; Deb, Indubhusan","Iridium-catalyzed direct C-H arylation of cyclic <i>N</i>-sulfonyl ketimines with arylsiloxanes at ambient temperature.","Organic & biomolecular chemistry","2020","18","36","7074","7078","10.1039/d0ob01212b","","","0.71073","MoKα","","0.1832","0.0956","","","0.2265","0.3164","","","","","","0.966","","","","has coordinates","258969","2020-11-06","13:12:35",""
"7157601","19.975","0.008","4.999","0.002","17.26","0.007","90","","110.614","0.007","90","","1613.1","1.1","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Cheng, Bin; Li, Hui; Duan, Shengguo; Zhang, Xinping; He, Yixuan; Li, Yuntong; Li, Yun; Wang, Taimin; Zhai, Hongbin","Synthesis of indolizines from pyridinium 1,4-zwitterionic thiolates and propiolic acid derivatives via a formal [4 + 1] pathway.","Organic & biomolecular chemistry","2020","18","32","6253","6257","10.1039/d0ob01398f","","","0.71073","MoKα","","0.1179","0.0609","","","0.1694","0.2168","","","","","","0.996","","","","has coordinates","256158","2020-10-21","18:00:00",""
"7157602","12.4739","0.0014","7.4371","0.0008","16.2909","0.0019","90","","110.59","0.005","90","","1414.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C68 H64 N8 O4 -","4","1","","Aegurla, Balakrishna; Jarwal, Nisha; Peddinti, Rama Krishna","Denitrative imino-diaza-Nazarov cyclization: synthesis of pyrazoles.","Organic & biomolecular chemistry","2020","18","31","6100","6107","10.1039/d0ob01200a","","","0.71073","MoKα","","0.069","0.0472","","","0.1347","0.1794","","","","","","0.597","","","","has coordinates","298703","2025-04-03","05:34:21",""
"7157603","7.4922","0.0019","10.184","0.003","11.624","0.003","87.81","0.004","75.567","0.004","79.756","0.004","845.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 B F4 I O2 -","- C16 H18 B F4 I O2 -","- C32 H36 B2 F8 I2 O4 -","2","1","","Abudken, Ahmed M. H.; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.","Fluorinations of unsymmetrical diaryliodonium salts containing ortho-sidearms; influence of sidearm on selectivity.","Organic & biomolecular chemistry","2020","18","31","6140","6146","10.1039/d0ob01401j","","","0.71073","MoKα","","0.03","0.0283","","","0.0702","0.0709","","","","","","1.032","","","","has coordinates","256171","2020-10-21","18:00:00",""
"7157604","12.965","0.002","11.911","0.002","13.389","0.002","90","","102.163","0.003","90","","2021.2","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 B F4 I O2 -","- C21 H20 B F4 I O2 -","- C84 H80 B4 F16 I4 O8 -","4","1","","Abudken, Ahmed M. H.; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.","Fluorinations of unsymmetrical diaryliodonium salts containing ortho-sidearms; influence of sidearm on selectivity.","Organic & biomolecular chemistry","2020","18","31","6140","6146","10.1039/d0ob01401j","","","0.71073","MoKα","","0.0358","0.0308","","","0.0735","0.0758","","","","","","1.033","","","","has coordinates","256171","2020-10-21","18:00:00",""
"7157605","11.995","0.005","14.196","0.006","22.602","0.01","90","","90","","90","","3849","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H18 B F4 I O -","- C21 H18 B F4 I O -","- C168 H144 B8 F32 I8 O8 -","8","1","","Abudken, Ahmed M. H.; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.","Fluorinations of unsymmetrical diaryliodonium salts containing ortho-sidearms; influence of sidearm on selectivity.","Organic & biomolecular chemistry","2020","18","31","6140","6146","10.1039/d0ob01401j","","","0.71073","MoKα","","0.0528","0.0388","","","0.0814","0.0862","","","","","","1.058","","","","has coordinates","256171","2020-10-21","18:00:00",""
"7157606","8.4537","0.0014","11.6591","0.0019","12.124","0.002","66.609","0.002","87.336","0.003","76.601","0.002","1065.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F3 I O4 S -","- C22 H18 F3 I O4 S -","- C44 H36 F6 I2 O8 S2 -","2","1","","Abudken, Ahmed M. H.; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.","Fluorinations of unsymmetrical diaryliodonium salts containing ortho-sidearms; influence of sidearm on selectivity.","Organic & biomolecular chemistry","2020","18","31","6140","6146","10.1039/d0ob01401j","","","0.71073","MoKα","","0.0323","0.0299","","","0.0735","0.0747","","","","","","1.041","","","","has coordinates","256171","2020-10-21","18:00:00",""
"7157607","13.148","0.003","13.175","0.002","16.115","0.003","83.966","0.003","86.472","0.003","60.099","0.003","2406.4","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 I O4 S -","- C28 H25 I O4 S -","- C112 H100 I4 O16 S4 -","4","2","","Abudken, Ahmed M. H.; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.","Fluorinations of unsymmetrical diaryliodonium salts containing ortho-sidearms; influence of sidearm on selectivity.","Organic & biomolecular chemistry","2020","18","31","6140","6146","10.1039/d0ob01401j","","","0.71073","MoKα","","0.0503","0.0377","","","0.0713","0.075","","","","","","0.947","","","","has coordinates","256171","2020-10-21","18:00:00",""
"7157608","15.542","0.0006","16.5195","0.0006","20.2175","0.0007","74.481","0.002","69.188","0.002","67.602","0.002","4433.3","0.3","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H117 N3 O18 S3 -","- C90 H117 N3 O18 S3 -","- C180 H234 N6 O36 S6 -","2","1","","Cera, Gianpiero; Balestri, Davide; Bazzoni, Margherita; Marchiò, Luciano; Secchi, Andrea; Arduini, Arturo","Trisulfonamide calix[6]arene-catalysed Michael addition to nitroalkenes.","Organic & biomolecular chemistry","2020","18","32","6241","6246","10.1039/d0ob01319f","","","1.54178","CuKα","","0.1658","0.0698","","","0.154","0.1963","","","","","","1.003","","","","has coordinates,has disorder","256160","2020-10-21","18:00:00",""
"7157609","15.8835","0.0003","7.9818","0.0002","18.7804","0.0004","90","","98.45","0.001","90","","2355.11","0.09","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cis,trans-indigo dimer","","","- C32 H18 N4 O4 -","- C32 H18 N4 O4 -","- C128 H72 N16 O16 -","4","1","","Hong, Hyejin; Conover, Cassidy M.; Hofsommer, Dillon T.; Sanz, Corey A.; Hicks, Robin G.","Discovery and properties of a new indigoid structure type based on dimeric cis-indigos.","Organic & biomolecular chemistry","2020","18","30","5838","5842","10.1039/d0ob01368d","","","0.71073","MoKα","","0.063","0.0474","","","0.1199","0.1297","","","","","","1.048","","","","has coordinates","298703","2025-04-03","05:34:21",""
"7157610","39.337","0.003","13.8936","0.001","28.683","0.002","90","","93.498","0.004","90","","15647","2","90","2","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H17.07 N2.13 O3.2 -","- C28 H17.0667 N2.13333 O3.2 -","- C840 H512 N64 O96 -","30","3.75","","Hong, Hyejin; Conover, Cassidy M.; Hofsommer, Dillon T.; Sanz, Corey A.; Hicks, Robin G.","Discovery and properties of a new indigoid structure type based on dimeric cis-indigos.","Organic & biomolecular chemistry","2020","18","30","5838","5842","10.1039/d0ob01368d","","","0.71073","MoKα","","0.0763","0.0522","","","0.1395","0.1575","","","","","","0.988","","","","has coordinates,has disorder","257913","2020-10-21","18:00:00",""
"7157611","27.7629","0.0015","10.8917","0.0006","17.5795","0.0009","90","","113.574","0.004","90","","4872.1","0.5","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cis,cis-indigo dimer","","","- C32 H19 N4 O4.5 -","- C32 H19 N4 O4.5 -","- C256 H152 N32 O36 -","8","1","","Hong, Hyejin; Conover, Cassidy M.; Hofsommer, Dillon T.; Sanz, Corey A.; Hicks, Robin G.","Discovery and properties of a new indigoid structure type based on dimeric cis-indigos.","Organic & biomolecular chemistry","2020","18","30","5838","5842","10.1039/d0ob01368d","","","1.54184","CuKα","","0.0552","0.0382","","","0.0836","0.0914","","","","","","1.016","","","","has coordinates","298703","2025-04-03","05:34:21",""
"7157612","8.2647","0.0004","19.7204","0.0011","11.6058","0.0006","90","","95.308","0.002","90","","1883.44","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Br N O4 S -","- C21 H16 Br N O4 S -","- C84 H64 Br4 N4 O16 S4 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","0.71073","MoKα","","0.0372","0.0278","","","0.0598","0.0629","","","","","","1.041","","","","has coordinates","256162","2020-10-21","18:00:00",""
"7157613","11.8834","0.0007","8.8469","0.0005","23.6723","0.0012","90","","91.109","0.002","90","","2488.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 N2 O5 -","- C31 H23 N2 O5 -","- C124 H92 N8 O20 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","0.71073","MoKα","","0.0692","0.0571","","","0.153","0.1635","","","","","","1.034","","","","has coordinates","256162","2020-10-21","18:00:00",""
"7157614","13.1453","0.0016","12.9849","0.0018","16.874","0.003","90","","96.328","0.005","90","","2862.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 Br2 N2 O5 -","- C33 H27 Br2 N2 O5 -","- C132 H108 Br8 N8 O20 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","0.71073","MoKα","","0.1029","0.0504","","","0.1123","0.1318","","","","","","1.043","","","","has coordinates","256162","2020-10-21","18:00:00",""
"7157615","13.89","0.0007","16.8786","0.0009","17.2527","0.0009","64.295","0.002","88.306","0.002","73.213","0.002","3467.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H28 N2 O5 -","- C39 H28 N2 O5 -","- C156 H112 N8 O20 -","4","2","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","0.71073","MoKα","","0.0901","0.0572","","","0.1346","0.1558","","","","","","1.039","","","","has coordinates","256162","2020-10-21","18:00:00",""
"7157616","13.3171","0.0006","15.1045","0.0007","16.7543","0.0006","77.235","0.002","76.167","0.002","67.821","0.003","2998","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H28 Br2 N2 O6 -","- C33 H28 Br2 N2 O6 -","- C132 H112 Br8 N8 O24 -","4","2","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","0.71073","MoKα","","0.0597","0.0376","","","0.0805","0.0879","","","","","","1.023","","","","has coordinates","296876","2024-12-16","17:34:43",""
"7157617","10.533","0.0004","26.861","0.0011","12.2233","0.0005","90","","115.334","0.001","90","","3125.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 Br2 Cl3 N2 O5 -","- C33 H24 Br2 Cl3 N2 O5 -","- C132 H96 Br8 Cl12 N8 O20 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","1.54178","CuKα","","0.0531","0.0518","","","0.1341","0.143","","","","","","1.12","","","","has coordinates","256162","2020-10-21","18:00:00",""
"7157618","10.9174","0.0014","11.9111","0.0014","12.3891","0.0014","69.112","0.011","87.877","0.01","65.53","0.012","1358.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H22 Cl2 N2 O5 -","- C31 H22 Cl2 N2 O5 -","- C62 H44 Cl4 N4 O10 -","2","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","0.71073","MoKα","","0.193","0.1112","","","0.2688","0.3225","","","","","","1.014","","","","has coordinates","256162","2020-10-21","18:00:00",""
"7157619","10.8001","0.0006","11.3693","0.0006","13.4193","0.0005","89.11","0.004","67.91","0.004","68.542","0.005","1406.67","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H22 Cl2 N2 O5 -","- C31 H22 Cl2 N2 O5 -","- C62 H44 Cl4 N4 O10 -","2","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","x-ray","0.71073","MoKα","","0.1426","0.0846","","","0.2025","0.2297","","","","","","1.063","","","","has coordinates","256162","2020-10-21","18:00:00",""
"7157620","9.29096","0.00014","14.5006","0.0002","20.3184","0.0003","90","","90","","90","","2737.39","0.07","291.6","0.2","291.6","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N7 O12 -","- C20 H27 N7 O12 -","- C80 H108 N28 O48 -","4","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","1.54184","CuKα","","0.0574","0.054","","","0.143","0.1492","","","","","","1.038","","","","has coordinates","256172","2020-10-21","18:00:00",""
"7157621","19.7672","0.0008","19.7672","0.0008","23.6968","0.0012","90","","90","","120","","8018.8","0.6","293","2","293.15","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C40 H35 N7 O12 -","- C40 H35 N7 O12 -","- C240 H210 N42 O72 -","6","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.1515","0.0819","","","0.2096","0.2662","","","","","","1.035","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157622","8.6304","0.0006","10.8741","0.0009","22.9325","0.0014","90","","90","","90","","2152.2","0.3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cl3 N6 O8 -","- C14 H16 Cl3 N6 O8 -","- C56 H64 Cl12 N24 O32 -","4","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0806","0.0594","","","0.142","0.1562","","","","","","1.03","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157623","8.6075","0.0007","10.7485","0.0009","33.736","0.003","90","","90","","90","","3121.2","0.5","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N10 O10 -","- C18 H24 N10 O10 -","- C72 H96 N40 O40 -","4","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0974","0.0717","","","0.1976","0.2188","","","","","","0.966","","","","has coordinates","256172","2020-10-21","18:00:00",""
"7157624","7.2784","0.0007","9.2019","0.001","26.166","0.003","90","","90","","90","","1752.5","0.3","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N6 O8 -","- C13 H16 N6 O8 -","- C52 H64 N24 O32 -","4","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0687","0.0461","","","0.0845","0.095","","","","","","1.018","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157625","9.2129","0.0004","40.7685","0.0017","12.8563","0.0005","90","","90.32","0.003","90","","4828.7","0.3","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N6 O11 -","- C17 H22 N6 O11 -","- C136 H176 N48 O88 -","8","4","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0741","0.0499","","","0.1143","0.1318","","","","","","1.015","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157626","12.9906","0.0004","11.1438","0.0004","14.8377","0.0007","90","","103.257","0.004","90","","2090.73","0.14","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H39 F3 N8 O13 -","- C37 H39 F3 N8 O13 -","- C74 H78 F6 N16 O26 -","2","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0802","0.0533","","","0.1204","0.1378","","","","","","1.031","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157627","7.7778","0.0005","13.2995","0.001","11.4128","0.0006","90","","91.458","0.005","90","","1180.17","0.13","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N6 O11 -","- C17 H22 N6 O11 -","- C34 H44 N12 O22 -","2","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0617","0.041","","","0.0881","0.0994","","","","","","1.047","","","","has coordinates","256172","2020-10-21","18:00:00",""
"7157628","9.6273","0.0012","8.8714","0.001","16.549","0.002","90","","101.469","0.011","90","","1385.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N7 O12 -","- C20 H27 N7 O12 -","- C40 H54 N14 O24 -","2","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.1129","0.0495","","","0.0969","0.1215","","","","","","0.95","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157629","7.5291","0.0008","7.4902","0.0008","17.0281","0.0019","90","","90","","90","","960.29","0.18","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","","Braire, Julien; Dorcet, Vincent; Vidal, Joëlle; Lalli, Claudia; Carreaux, François","BINOL derivatives-catalysed enantioselective allylboration of isatins: application to the synthesis of (R)-chimonamidine.","Organic & biomolecular chemistry","2020","18","31","6042","6046","10.1039/d0ob01386b","","x-ray","1.54178","CuKα","","0.0385","0.0376","","","0.1034","0.1042","","","","","","1.146","","","","has coordinates","256175","2020-10-21","18:00:00",""
"7157630","7.3607","0.0008","8.0406","0.0011","17.598","0.002","90","","90","","90","","1041.5","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","","Braire, Julien; Dorcet, Vincent; Vidal, Joëlle; Lalli, Claudia; Carreaux, François","BINOL derivatives-catalysed enantioselective allylboration of isatins: application to the synthesis of (R)-chimonamidine.","Organic & biomolecular chemistry","2020","18","31","6042","6046","10.1039/d0ob01386b","","x-ray","1.54178","CuKα","","0.1305","0.083","","","0.2006","0.2428","","","","","","1.015","","","","has coordinates","256175","2020-10-21","18:00:00",""
"7157631","10.5627","0.0003","8.8564","0.0003","19.8868","0.0007","90","","98.7088","0.0009","90","","1838.91","0.1","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17.19 N3 O1.1 -","- C24 H17.196 N3 O1.098 -","- C96 H68.784 N12 O4.392 -","4","1","","Cheng, Li-Ting; Luo, Sheng-Qi; Hong, Bor-Cherng; Chen, Chia-Ling; Li, Wen-Shan; Lee, Gene-Hsiang","Oxidative trimerization of indoles via water-assisted visible-light photoredox catalysis and the study of their anti-cancer activities.","Organic & biomolecular chemistry","2020","18","32","6247","6252","10.1039/d0ob01298j","","","1.54178","CuKα","","0.0399","0.0365","","","0.0919","0.0964","","","","","","1.018","","","","has coordinates","256164","2020-10-21","18:00:00",""
"7157632","19.1254","0.0004","5.4936","0.0001","11.5714","0.0003","90","","98.8783","0.0009","90","","1201.21","0.05","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Cheng, Li-Ting; Luo, Sheng-Qi; Hong, Bor-Cherng; Chen, Chia-Ling; Li, Wen-Shan; Lee, Gene-Hsiang","Oxidative trimerization of indoles via water-assisted visible-light photoredox catalysis and the study of their anti-cancer activities.","Organic & biomolecular chemistry","2020","18","32","6247","6252","10.1039/d0ob01298j","","","1.54178","CuKα","","0.0473","0.0444","","","0.1113","0.1148","","","","","","1.063","","","","has coordinates","256164","2020-10-21","18:00:00",""
"7157633","26.7209","0.0006","15.6427","0.0003","11.8698","0.0003","90","","104.361","0.0004","90","","4806.38","0.19","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24.25 H14.5 Br3 Cl0.5 N3 O -","- C24.25 H14.5 Br3 Cl0.5 N3 O -","- C194 H116 Br24 Cl4 N24 O8 -","8","1","","Cheng, Li-Ting; Luo, Sheng-Qi; Hong, Bor-Cherng; Chen, Chia-Ling; Li, Wen-Shan; Lee, Gene-Hsiang","Oxidative trimerization of indoles via water-assisted visible-light photoredox catalysis and the study of their anti-cancer activities.","Organic & biomolecular chemistry","2020","18","32","6247","6252","10.1039/d0ob01298j","","","1.54178","CuKα","","0.0655","0.0628","","","0.1673","0.1701","","","","","","1.05","","","","has coordinates,has disorder","256164","2020-10-21","18:00:00",""
"7157634","10.4157","0.0002","10.5063","0.0002","11.3815","0.0002","112.529","0.0008","108.753","0.0008","99.9684","0.0008","1024.96","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N3 O -","- C27 H23 N3 O -","- C54 H46 N6 O2 -","2","1","","Cheng, Li-Ting; Luo, Sheng-Qi; Hong, Bor-Cherng; Chen, Chia-Ling; Li, Wen-Shan; Lee, Gene-Hsiang","Oxidative trimerization of indoles via water-assisted visible-light photoredox catalysis and the study of their anti-cancer activities.","Organic & biomolecular chemistry","2020","18","32","6247","6252","10.1039/d0ob01298j","","","1.54178","CuKα","","0.0437","0.0382","","","0.0935","0.1013","","","","","","1.04","","","","has coordinates","256164","2020-10-21","18:00:00",""
"7157635","14.1319","0.0005","3.8682","0.0001","15.5153","0.0005","90","","110.946","0.001","90","","792.1","0.04","200","2","200","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C36 H36 N4 O8 -","4","2","","Cheng, Li-Ting; Luo, Sheng-Qi; Hong, Bor-Cherng; Chen, Chia-Ling; Li, Wen-Shan; Lee, Gene-Hsiang","Oxidative trimerization of indoles via water-assisted visible-light photoredox catalysis and the study of their anti-cancer activities.","Organic & biomolecular chemistry","2020","18","32","6247","6252","10.1039/d0ob01298j","","","1.54178","CuKα","","0.027","0.026","","","0.0687","0.0704","","","","","","1.049","","","","has coordinates","256164","2020-10-21","18:00:00",""
"7157636","15.2304","0.0014","9.1246","0.0008","22.238","0.002","90","","95.627","0.001","90","","3075.6","0.5","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H28 O4 -","- C17 H28 O4 -","- C136 H224 O32 -","8","2","","Kobayashi, Toyoharu; Tomita, Yui; Kawamoto, Yuichiro; Ito, Hisanaka","Highly stereocontrolled total synthesis of secodolastane diterpenoid isolinearol.","Organic & biomolecular chemistry","2020","18","37","7316","7320","10.1039/d0ob01430c","","","0.71073","MoKα","","0.0596","0.0511","","","0.1352","0.1432","","","","","","1.054","","","","has coordinates","258944","2020-11-06","13:06:53",""
"7157637","10.559","0.002","8.9149","0.0017","19.341","0.004","90","","92.146","0.002","90","","1819.3","0.6","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","","Kobayashi, Toyoharu; Tomita, Yui; Kawamoto, Yuichiro; Ito, Hisanaka","Highly stereocontrolled total synthesis of secodolastane diterpenoid isolinearol.","Organic & biomolecular chemistry","2020","18","37","7316","7320","10.1039/d0ob01430c","","","0.71073","MoKα","","0.0444","0.0362","","","0.0896","0.0955","","","","","","1.012","","","","has coordinates","258944","2020-11-06","13:06:54",""
"7157638","9.4421","0.0002","14.8451","0.0004","19.2118","0.0004","90","","90","","90","","2692.9","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O3 S4 -","- C28 H30 N2 O3 S4 -","- C112 H120 N8 O12 S16 -","4","1","","García de la Concepción, Juan; Ávalos, Martín; Jiménez, José L; Cintas, Pedro; Light, Mark E.","A fully diastereoselective oxidation of a mesoionic dipole with triplet molecular oxygen.","Organic & biomolecular chemistry","2020","18","32","6328","6339","10.1039/d0ob01428a","","x-ray","0.71073","MoKα","","0.0433","0.0401","","","0.0987","0.1003","","","","","","1.05","","","","has coordinates","256159","2020-10-21","18:00:00",""
"7157639","23.7837","0.0004","23.7837","0.0004","21.6038","0.0004","90","","90","","120","","10583.3","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H18 N2 O3 S4 -","- C22 H18 N2 O3 S4 -","- C396 H324 N36 O54 S72 -","18","1","","García de la Concepción, Juan; Ávalos, Martín; Jiménez, José L; Cintas, Pedro; Light, Mark E.","A fully diastereoselective oxidation of a mesoionic dipole with triplet molecular oxygen.","Organic & biomolecular chemistry","2020","18","32","6328","6339","10.1039/d0ob01428a","","x-ray","0.71073","MoKα","","0.0367","0.0342","","","0.098","0.0996","","","","","","1.074","","","","has coordinates","256159","2020-10-21","18:00:00",""
"7157640","12.482","0.0004","12.8583","0.0005","19.5132","0.0007","90","","90","","90","","3131.82","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H26 N2 O3 S4 -","- C34 H26 N2 O3 S4 -","- C136 H104 N8 O12 S16 -","4","1","","García de la Concepción, Juan; Ávalos, Martín; Jiménez, José L; Cintas, Pedro; Light, Mark E.","A fully diastereoselective oxidation of a mesoionic dipole with triplet molecular oxygen.","Organic & biomolecular chemistry","2020","18","32","6328","6339","10.1039/d0ob01428a","","x-ray","0.71073","MoKα","","0.069","0.0555","","","0.0856","0.0887","","","","","","1.113","","","","has coordinates","256159","2020-10-21","18:00:00",""
"7157641","7.1264","0.001","19.867","0.0019","19.419","0.003","90","","94.326","0.014","90","","2741.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Br N3 -","- C16 H12 Br N3 -","- C128 H96 Br8 N24 -","8","2","","Chatterjee, Arpita; Murmu, Chudamani; Peruncheralathan, S.","Copper-catalysed <i>N</i>-arylation of 5-aminopyrazoles: a simple route to pyrazolo[3,4-<i>b</i>]indoles.","Organic & biomolecular chemistry","2020","18","33","6571","6581","10.1039/d0ob00812e","","x-ray","0.71073","MoKα","","0.1888","0.0994","","","0.2041","0.2384","","","","","","1.127","","","","has coordinates","256168","2020-10-21","18:00:00",""
"7157642","59.6625","0.0008","17.3644","0.0002","11.0242","0.0001","90","","90","","90","","11421.1","0.2","123","","123","","","","","","","","","4","F d d 2","F 2 -2d","43","","(5aR*,8aS*,9R*)-8-(Bis(4-chlorophenyl)methylene)-9-(4-methoxyphenyl)-5a,8,8a,9-tetrahydrocyclopenta[b][1,3]dioxolo[4,5-g]chromene","","- C36.5 H28 Cl2 O4 -","- C36.5 H28 Cl2 O4 -","- C584 H448 Cl32 O64 -","16","1","","Tanaka, Kenta; Asada, Yosuke; Hoshino, Yujiro; Honda, Kiyoshi","Visible-light-induced [4 + 2] cycloaddition of pentafulvenes by organic photoredox catalysis.","Organic & biomolecular chemistry","2020","18","40","8074","8078","10.1039/d0ob01151g","","x-ray","1.54184","CuKα","","0.0316","0.031","","","0.0813","0.0817","","","","","","1.046","","","","has coordinates,has disorder","258960","2020-11-06","13:10:12",""
"7157643","15.2283","0.0002","9.8746","0.0001","18.4264","0.0002","90","","110.126","0.002","90","","2601.65","0.06","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(5aS*,8aR*,9R*)-8-(Bis(4-chlorophenyl)methylene)-9-(4-methoxyphenyl)-5a,8,8a,9-tetrahydrocyclopenta[b][1,3]dioxolo[4,5-g]chromene","","- C33 H24 Cl2 O4 -","- C33 H24 Cl2 O4 -","- C132 H96 Cl8 O16 -","4","1","","Tanaka, Kenta; Asada, Yosuke; Hoshino, Yujiro; Honda, Kiyoshi","Visible-light-induced [4 + 2] cycloaddition of pentafulvenes by organic photoredox catalysis.","Organic & biomolecular chemistry","2020","18","40","8074","8078","10.1039/d0ob01151g","","x-ray","1.54184","CuKα","","0.0365","0.0348","","","0.0912","0.0925","","","","","","1.031","","","","has coordinates","258960","2020-11-06","13:10:13",""
"7157644","17.6367","0.0015","13.5661","0.0012","14.5573","0.0013","90","","90","","90","","3483","0.5","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H16 N2 O4 -","- C21 H16 N2 O4 -","- C168 H128 N16 O32 -","8","1","","Sharma, Suraj; Dutta, Nibedita Baruah; Bhuyan, Mayurakhi; Das, Babulal; Baishya, Gakul","<i>tert</i>-Butylhydroperoxide (TBHP) mediated oxidative cross-dehydrogenative coupling of quinoxalin-2(1<i>H</i>)-ones with 4-hydroxycoumarins, 4-hydroxy-6-methyl-2-pyrone and 2-hydroxy-1,4-naphthoquinone under metal-free conditions.","Organic & biomolecular chemistry","2020","18","33","6537","6548","10.1039/d0ob01304h","","","0.71073","MoKα","","0.0716","0.0559","","","0.1459","0.1644","","","","","","1.18","","","","has coordinates","256169","2020-10-21","18:00:00",""
"7157645","9.621","0.002","8.003","0.002","33.196","0.009","90","","90","","90","","2556","1.1","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C96 H128 N16 O32 -","8","2","","Taily, Irshad Maajid; Saha, Debarshi; Banerjee, Prabal","Palladium-catalyzed regio- and stereoselective access to allyl ureas/carbamates: facile synthesis of imidazolidinones and oxazepinones.","Organic & biomolecular chemistry","2020","18","33","6564","6570","10.1039/d0ob01514h","","","0.71073","MoKα","","0.093","0.0603","","","0.1467","0.1688","","","","","","1.08","","","","has coordinates","296876","2024-12-16","17:34:43",""
"7157646","8.0617","0.0006","26.398","0.003","11.8969","0.0014","90","","91.684","0.002","90","","2530.7","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 Br N2 O5 -","- C26 H27 Br N2 O5 -","- C104 H108 Br4 N8 O20 -","4","1","","Taily, Irshad Maajid; Saha, Debarshi; Banerjee, Prabal","Palladium-catalyzed regio- and stereoselective access to allyl ureas/carbamates: facile synthesis of imidazolidinones and oxazepinones.","Organic & biomolecular chemistry","2020","18","33","6564","6570","10.1039/d0ob01514h","","","0.71073","MoKα","","0.1027","0.044","","","0.0795","0.0995","","","","","","1.009","","","","has coordinates","256170","2020-10-21","18:00:00",""
"7157647","10.495","0.002","21.897","0.004","7.842","0.0016","90","","96.57","0.03","90","","1790.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Br N2 O2 -","- C19 H17 Br N2 O2 -","- C76 H68 Br4 N8 O8 -","4","1","","Ma, Liyao; Ou, Pengcheng; Huang, Xueliang","Divergent synthesis of 1,3,5-tri and 1,3-disubstituted pyrazoles under transition metal-free conditions.","Organic & biomolecular chemistry","2020","18","33","6487","6491","10.1039/d0ob01478h","","","0.71073","MoKα","","0.1035","0.0709","","","0.1888","0.2131","","","","","","1.198","","","","has coordinates","256167","2020-10-21","18:00:00",""
"7157648","13.5094","0.0016","11.092","0.0009","21.2668","0.0018","90","","90","","90","","3186.8","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C160 H120 N8 O24 -","8","1","","Yang, Fazhou; Liu, Ziyan; Liu, Hao; Shangguan, Yu; Deng, Hao; Huang, Jiaxing; Xiao, Yumei; Guo, Hongchao; Zhang, Cheng","Cu-Catalysed synthesis of benzo[f]indole-2,4,9(3H)-triones by the reaction of 2-amino-1,4-napthoquinones with α-bromocarboxylates.","Organic & biomolecular chemistry","2020","18","34","6724","6731","10.1039/d0ob00291g","","x-ray","0.71073","MoKα","","0.0607","0.0446","","","0.1005","0.1093","","","","","","1.075","","","","has coordinates","256183","2020-10-21","18:00:00",""
"7157649","15.0501","0.0004","23.9887","0.0008","6.1915","0.0002","90","","90","","90","","2235.33","0.12","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H23 Cl2 N3 O4 S2 -","- C19 H23 Cl2 N3 O4 S2 -","- C76 H92 Cl8 N12 O16 S8 -","4","0.5","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0771","0.0508","","","0.1212","0.1375","","","","","","1.029","","","","has coordinates","258952","2020-11-06","13:08:23",""
"7157650","15.0587","0.0011","11.9394","0.0009","11.6556","0.0008","90","","90.844","0.004","90","","2095.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 F2 N3 O4 S2 -","- C19 H23 F2 N3 O4 S2 -","- C76 H92 F8 N12 O16 S8 -","4","1","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0475","0.0368","","","0.0936","0.1008","","","","","","1.026","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157651","10.5857","0.0003","14.0014","0.0004","17.5197","0.0005","90","","90","","90","","2596.68","0.13","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl5 D N3 O4 S2 -","- C20 H23 Cl5 D N3 O4 S2 -","- C80 H92 Cl20 D4 N12 O16 S8 -","4","1","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0286","0.0267","","","0.0648","0.0658","","","","","","1.056","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157652","15.0515","0.0005","23.4696","0.0008","6.1833","0.0002","90","","90","","90","","2184.27","0.13","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H23 Cl2 N3 O4 S2 -","- C19 H23 Cl2 N3 O4 S2 -","- C76 H92 Cl8 N12 O16 S8 -","4","0.5","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.06","0.0395","","","0.0953","0.1106","","","","","","1.087","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157653","15.1555","0.0007","24.3132","0.0012","6.1544","0.0003","90","","90","","90","","2267.77","0.19","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H23 Br2 N3 O4 S2 -","- C19 H23 Br2 N3 O4 S2 -","- C76 H92 Br8 N12 O16 S8 -","4","0.5","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0816","0.0417","","","0.0793","0.0931","","","","","","1.011","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157654","10.4481","0.0002","14.3121","0.0003","16.4591","0.0003","90","","90","","90","","2461.2","0.08","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl3 D F2 N3 O4 S2 -","- C20 H23 Cl3 D F2 N3 O4 S2 -","- C80 H92 Cl12 D4 F8 N12 O16 S8 -","4","1","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0417","0.0347","","","0.0796","0.083","","","","","","1.028","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157655","15.4374","0.0004","24.9622","0.0006","6.1336","0.0002","90","","90","","90","","2363.59","0.11","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H23 I2 N3 O4 S2 -","- C19 H23 I2 N3 O4 S2 -","- C76 H92 I8 N12 O16 S8 -","4","0.5","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0474","0.0383","","","0.0815","0.0854","","","","","","1.11","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157656","15.4193","0.0004","24.5788","0.0007","6.1039","0.0002","90","","90","","90","","2313.3","0.12","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H23 I2 N3 O4 S2 -","- C19 H23 I2 N3 O4 S2 -","- C76 H92 I8 N12 O16 S8 -","4","0.5","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0303","0.0253","","","0.0523","0.0543","","","","","","1.198","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157657","31.5358","0.001","31.5358","0.001","5.2684","0.0002","90","","90","","90","","5239.5","0.3","296","2","296","2","","","","","","","","3","I -4","I -4","82","","","","- C28 H32 O8 -","- C28 H32 O8 -","- C224 H256 O64 -","8","1","","Gadigennavar, Savita; Sankararaman, Sethuraman","Synthesis and application of 3,4,7,8-tetrakis-exo-methylenecycloocta-1,5-diene as a versatile Diels-Alder diene: synthesis of V-shaped cyclooctatetraene fused acenes.","Organic & biomolecular chemistry","2020","18","34","6738","6744","10.1039/d0ob01544j","","","0.71073","MoKα","","0.0977","0.0514","","","0.136","0.1715","","","","","","0.939","","","","has coordinates","256177","2020-10-21","18:00:00",""
"7157658","21.741","0.004","13.765","0.002","21.012","0.003","90","","90","","90","","6288.2","1.7","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C68 H62 N4 O13 -","- C68 H60 N4 O13 -","- C272 H240 N16 O52 -","4","0.25","","Gadigennavar, Savita; Sankararaman, Sethuraman","Synthesis and application of 3,4,7,8-tetrakis-exo-methylenecycloocta-1,5-diene as a versatile Diels-Alder diene: synthesis of V-shaped cyclooctatetraene fused acenes.","Organic & biomolecular chemistry","2020","18","34","6738","6744","10.1039/d0ob01544j","","","0.71073","MoKα","","0.0711","0.0635","","","0.1733","0.182","","","","","","1.103","","","","has coordinates,has disorder","256177","2020-10-21","18:00:00",""
"7157659","13.8872","0.0004","9.9072","0.0003","19.4383","0.0006","90","","90.026","0.002","90","","2674.38","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N2 O4 -","- C32 H26 N2 O4 -","- C128 H104 N8 O16 -","4","1","","Gadigennavar, Savita; Sankararaman, Sethuraman","Synthesis and application of 3,4,7,8-tetrakis-exo-methylenecycloocta-1,5-diene as a versatile Diels-Alder diene: synthesis of V-shaped cyclooctatetraene fused acenes.","Organic & biomolecular chemistry","2020","18","34","6738","6744","10.1039/d0ob01544j","","","0.71073","MoKα","","0.1077","0.0534","","","0.1333","0.1655","","","","","","1.016","","","","has coordinates","256177","2020-10-21","18:00:00",""
"7157660","7.0483","0.00016","9.642","0.0002","17.816","0.0004","90","","93.573","0.002","90","","1208.42","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Greve, Eric; Lindeman, Sergey V.; Scartelli, Christina; Lin, Lin; Flaumenhaft, Robert; Dockendorff, Chris","Route exploration and synthesis of the reported pyridone-based PDI inhibitor STK076545.","Organic & biomolecular chemistry","2020","18","34","6665","6681","10.1039/d0ob01205j","","x-ray","0.71073","MoKα","","0.0427","0.0377","","","0.0931","0.0966","","","","","","1.066","","","","has coordinates","256178","2020-10-21","18:00:00",""
"7157661","11.1412","0.0002","8.63104","0.00012","12.612","0.0002","90","","98.0678","0.0017","90","","1200.77","0.03","100","0.14","100","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","","Greve, Eric; Lindeman, Sergey V.; Scartelli, Christina; Lin, Lin; Flaumenhaft, Robert; Dockendorff, Chris","Route exploration and synthesis of the reported pyridone-based PDI inhibitor STK076545.","Organic & biomolecular chemistry","2020","18","34","6665","6681","10.1039/d0ob01205j","","x-ray","1.54184","CuKα","","0.0326","0.03","","","0.0752","0.0771","","","","","","1.041","","","","has coordinates","256178","2020-10-21","18:00:00",""
"7157662","23.1618","0.0008","6.1459","0.0002","20.0176","0.0006","90","","95.672","0.003","90","","2835.56","0.16","99.8","0.3","99.8","0.3","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H17 N O6 -","- C14 H17 N O6 -","- C112 H136 N8 O48 -","8","1","","Greve, Eric; Lindeman, Sergey V.; Scartelli, Christina; Lin, Lin; Flaumenhaft, Robert; Dockendorff, Chris","Route exploration and synthesis of the reported pyridone-based PDI inhibitor STK076545.","Organic & biomolecular chemistry","2020","18","34","6665","6681","10.1039/d0ob01205j","","x-ray","1.54184","CuKα","","0.0492","0.0414","","","0.1088","0.1174","","","","","","1.037","","","","has coordinates","256178","2020-10-21","18:00:00",""
"7157663","13.962","0.0003","8.28868","0.00013","17.5984","0.0003","90","","112.379","0.002","90","","1883.22","0.07","101","2","101","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N3 O3 -","- C20 H25 N3 O3 -","- C80 H100 N12 O12 -","4","1","","Greve, Eric; Lindeman, Sergey V.; Scartelli, Christina; Lin, Lin; Flaumenhaft, Robert; Dockendorff, Chris","Route exploration and synthesis of the reported pyridone-based PDI inhibitor STK076545.","Organic & biomolecular chemistry","2020","18","34","6665","6681","10.1039/d0ob01205j","","x-ray","1.54184","CuKα","","0.0524","0.0479","","","0.126","0.1307","","","","","","1.056","","","","has coordinates,has disorder","256178","2020-10-21","18:00:00",""
"7157664","6.7441","0.0002","9.9379","0.0003","12.0364","0.0005","69.995","0.003","75.972","0.003","81.277","0.002","733.33","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1-heptyl-[1,2,4]triazolo[4,3-a]quinoline","","- C17 H21 N3 -","- C17 H21 N3 -","- C34 H42 N6 -","2","1","","Aksenov, Nicolai A.; Aksenov, Alexander V.; Kirilov, Nikita K.; Arutiunov, Nikolai A.; Aksenov, Dmitrii A.; Maslivetc, Vladimir; Zhao, Zhenze; Du, Liqin; Rubin, Michael; Kornienko, Alexander","Nitroalkanes as electrophiles: synthesis of triazole-fused heterocycles with neuroblastoma differentiation activity.","Organic & biomolecular chemistry","2020","18","34","6651","6664","10.1039/d0ob01007c","","x-ray","1.54184","CuKα","","0.0454","0.0402","","","0.1132","0.1192","","","","","","1.063","","","","has coordinates","256181","2020-10-21","18:00:00",""
"7157665","9.1934","0.0005","10.6902","0.0005","18.2767","0.0008","90","","100.449","0.005","90","","1766.43","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-methyl-[1,2,4]triazolo[4,3-a]quinoline","","- C11 H9 N3 -","- C11 H9 N3 -","- C88 H72 N24 -","8","2","","Aksenov, Nicolai A.; Aksenov, Alexander V.; Kirilov, Nikita K.; Arutiunov, Nikolai A.; Aksenov, Dmitrii A.; Maslivetc, Vladimir; Zhao, Zhenze; Du, Liqin; Rubin, Michael; Kornienko, Alexander","Nitroalkanes as electrophiles: synthesis of triazole-fused heterocycles with neuroblastoma differentiation activity.","Organic & biomolecular chemistry","2020","18","34","6651","6664","10.1039/d0ob01007c","","x-ray","1.54184","CuKα","","0.0462","0.0401","","","0.1074","0.1147","","","","","","1.031","","","","has coordinates","256181","2020-10-21","18:00:00",""
"7157666","35.445","0.007","36.434","0.007","45.806","0.009","90","","90","","90","","59154","2","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C134 H130 Cl6 F6 N18 O19 -","- C134 H130 Cl6 F6 N18 O19 -","- C2144 H2080 Cl96 F96 N288 O304 -","16","2","","Yang, Ling; Ma, Chunmiao; Kauffmann, Brice; Li, Dongyao; Gan, Quan","Absolute handedness control of oligoamide double helices by chiral oxazolylaniline induction.","Organic & biomolecular chemistry","2020","18","34","6643","6650","10.1039/d0ob01503b","","","0.72","MoKa","","0.1293","0.1057","","","0.2866","0.3176","","","","","","1.291","","","","has coordinates","256176","2020-10-21","18:00:00",""
"7157667","5.0392","0.0002","8.4897","0.0003","38.3953","0.0013","90","","90","","90","","1642.6","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H30 O S2 -","- C15 H30 O S2 -","- C60 H120 O4 S8 -","4","1","","Scheutz, Georg M.; Rowell, Jonathan L.; Wang, Fu-Sheng; Abboud, Khalil A.; Peng, Chi-How; Sumerlin, Brent S.","Synthesis of functional 1,2-dithiolanes from 1,3-bis-<i>tert</i>-butyl thioethers.","Organic & biomolecular chemistry","2020","18","33","6509","6513","10.1039/d0ob01577f","","","0.71073","MoKα","","0.0313","0.0278","","","0.0689","0.0712","","","","","","1.1","","","","has coordinates","256165","2020-10-21","18:00:00",""
"7157668","19.7501","0.0018","19.7501","0.0018","7.4965","0.0006","90","","90","","90","","2924.1","0.4","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C5 H9 O S2 -","- C5 H10 O S2 -","- C80 H160 O16 S32 -","16","1","","Scheutz, Georg M.; Rowell, Jonathan L.; Wang, Fu-Sheng; Abboud, Khalil A.; Peng, Chi-How; Sumerlin, Brent S.","Synthesis of functional 1,2-dithiolanes from 1,3-bis-<i>tert</i>-butyl thioethers.","Organic & biomolecular chemistry","2020","18","33","6509","6513","10.1039/d0ob01577f","","","0.71073","MoKα","","0.0609","0.0403","","","0.0934","0.1126","","","","","","1.134","","","","has coordinates","256165","2020-10-21","18:00:00",""
"7157669","5.866","0.0005","8.1481","0.0008","18.3926","0.0018","90","","90","","90","","879.11","0.14","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N6 -","- C20 H18 N6 -","- C40 H36 N12 -","2","0.5","","Rahman, Iftakur; Deka, Bhaskar; Thakuria, Ranjit; Deb, Mohit L.; Baruah, Pranjal K.","L-Proline-catalyzed regioselective C1 arylation of tetrahydroisoquinolines through a multicomponent reaction under solvent-free conditions.","Organic & biomolecular chemistry","2020","18","33","6514","6518","10.1039/d0ob01363c","","","0.71073","MoKα","","0.1026","0.0588","","","0.1246","0.1628","","","","","","0.973","","","","has coordinates","256166","2020-10-21","18:00:00",""
"7157670","13.786","0.005","13.94","0.005","12.043","0.005","90","","95.844","0.005","90","","2302.4","1.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 N4 -","- C27 H28 N4 -","- C108 H112 N16 -","4","1","","Rahman, Iftakur; Deka, Bhaskar; Thakuria, Ranjit; Deb, Mohit L.; Baruah, Pranjal K.","L-Proline-catalyzed regioselective C1 arylation of tetrahydroisoquinolines through a multicomponent reaction under solvent-free conditions.","Organic & biomolecular chemistry","2020","18","33","6514","6518","10.1039/d0ob01363c","","","0.71073","MoKα","","0.1539","0.0611","","","0.14","0.1788","","","","","","1.009","","","","has coordinates","256166","2020-10-21","18:00:00",""
"7157671","10.0331","0.0001","11.8988","0.0001","13.4124","0.0002","108","0.001","99.413","0.001","106.679","0.001","1401.73","0.03","294.15","","294.15","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N5 O12 -","- C26 H25 N5 O12 -","- C52 H50 N10 O24 -","2","1","","Luo, Yan-Long; Liu, Yu-Feng; Guan, Bing-Tao","Alkyl lithium-catalyzed benzylic C-H bond addition of alkyl pyridines to α-alkenes.","Organic & biomolecular chemistry","2020","18","34","6622","6626","10.1039/d0ob01499k","","x-ray","1.54184","CuKα","","0.0605","0.0572","","","0.178","0.1816","","","","","","1.093","","","","has coordinates","256182","2020-10-21","18:00:00",""
"7157672","9.5464","0.0003","11.3522","0.0003","16.3209","0.0005","79.8713","0.0009","82.8439","0.001","76.7777","0.001","1688.44","0.09","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H32 Br Cl3 N2 O3 S -","- C35 H32 Br Cl3 N2 O3 S -","- C70 H64 Br2 Cl6 N4 O6 S2 -","2","1","","Rapelli, Chandrashekhar; Sridhar, Balasubramanian; Subba Reddy, B. V.","Tandem Prins cyclization for the synthesis of indole fused spiro-1,4-diazocane scaffolds.","Organic & biomolecular chemistry","2020","18","34","6710","6715","10.1039/d0ob01384f","","","0.71073","MoKα","","0.1317","0.0939","","","0.2284","0.2488","","","","","","1.086","","","","has coordinates","256179","2020-10-21","18:00:00",""
"7157673","11.05","0.0004","14.7669","0.0006","11.3282","0.0004","90","","109.477","0.002","90","","1742.69","0.12","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O S -","- C20 H16 N2 O S -","- C80 H64 N8 O4 S4 -","4","1","","Song, Xiaoxiao; Xu, Lei; Ni, Qijian","Highly diastereoselective synthesis of 3-methylenetetrahydropyrans by palladium-catalyzed oxa-[4 + 2] cycloaddition of 2-alkenylbenzothiazoles.","Organic & biomolecular chemistry","2020","18","34","6617","6621","10.1039/d0ob01434f","","","0.71073","MoKα","","0.0526","0.0428","","","0.105","0.1165","","","","","","1.018","","","","has coordinates","256180","2020-10-21","18:00:00",""
"7157674","10.805","0.002","28.766","0.004","9.1158","0.0016","90","","98.138","0.006","90","","2804.8","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 Br N O4 -","- C31 H34 Br N O4 -","- C124 H136 Br4 N4 O16 -","4","1","","Wang, Ziyang; Huang, Anqi; Fang, Fang; Li, Pengfei; Liu, Guokai; Li, Wenjun","Non-hydrogen bond catalyst-mediated diastereoselective conjugate additions of 5H-oxazol-4-ones to o-hydroxyphenyl-substituted p-quinone methides.","Organic & biomolecular chemistry","2020","18","35","6807","6811","10.1039/d0ob01558j","","x-ray","0.71073","MoKα","","0.0399","0.0333","","","0.0734","0.0758","","","","","","1.047","","","","has coordinates","258976","2020-11-06","13:14:13",""
"7157675","7.2273","0.0003","12.6042","0.0005","29.1348","0.0012","90","","90","","90","","2654.02","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H25 N O4 -","- C34 H25 N O4 -","- C136 H100 N4 O16 -","4","1","","Mu, Yuanyang; Yuan, Yang; Wang, Ye; Xu, Murong; Feng, Ye; Zhao, Yulei; Li, Yanzhong","Synthesis of indoline-fused eight-membered azaheterocycles through Zn-catalyzed dearomatization of indoles and subsequent base-promoted C-C activation.","Organic & biomolecular chemistry","2020","18","35","6916","6926","10.1039/d0ob01626h","","","0.71073","MoKα","","0.0514","0.0372","","","0.0837","0.0931","","","","","","1.012","","","","has coordinates","258977","2020-11-06","13:14:22",""
"7157676","11.571","0.003","17.156","0.005","13.431","0.004","90","","91.359","0.009","90","","2665.5","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Br N O4 -","- C34 H24 Br N O4 -","- C136 H96 Br4 N4 O16 -","4","1","","Mu, Yuanyang; Yuan, Yang; Wang, Ye; Xu, Murong; Feng, Ye; Zhao, Yulei; Li, Yanzhong","Synthesis of indoline-fused eight-membered azaheterocycles through Zn-catalyzed dearomatization of indoles and subsequent base-promoted C-C activation.","Organic & biomolecular chemistry","2020","18","35","6916","6926","10.1039/d0ob01626h","","","0.71073","MoKα","","0.181","0.1027","","","0.2623","0.3215","","","","","","1.032","","","","has coordinates","258977","2020-11-06","13:14:22",""
"7157677","9.7202","0.0014","11.6843","0.0016","24.726","0.004","90","","93.705","0.003","90","","2802.4","0.7","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 Br N8 O5 S -","- C27 H27 Br N8 O5 S -","- C108 H108 Br4 N32 O20 S4 -","4","1","","Izmest'ev, Alexei N.; Gazieva, Galina A.; Karnoukhova, Valentina A.; Kravchenko, Angelina N.","Diastereodivergent synthesis of dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties.","Organic & biomolecular chemistry","2020","18","35","6905","6911","10.1039/d0ob01628d","","","0.71073","MoKα","","0.0679","0.0482","","","0.1235","0.1344","","","","","","1.026","","","","has coordinates","258973","2020-11-06","13:13:32",""
"7157678","13.4741","0.0004","13.4934","0.0004","15.7758","0.0005","84.2195","0.0007","85.3686","0.0007","76.9008","0.0007","2774.41","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H31 F N7 O4 S -","- C27.5 H31 F N7 O4 S -","- C110 H124 F4 N28 O16 S4 -","4","2","","Izmest'ev, Alexei N.; Gazieva, Galina A.; Karnoukhova, Valentina A.; Kravchenko, Angelina N.","Diastereodivergent synthesis of dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties.","Organic & biomolecular chemistry","2020","18","35","6905","6911","10.1039/d0ob01628d","","","0.71073","MoKα","","0.0581","0.0423","","","0.1031","0.1124","","","","","","1.018","","","","has coordinates","258973","2020-11-06","13:13:32",""
"7157679","9.7574","0.0004","16.3229","0.0007","33.1283","0.0014","90","","90","","90","","5276.3","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H25 N7 O3 S -","- C25 H25 N7 O3 S -","- C200 H200 N56 O24 S8 -","8","1","","Izmest'ev, Alexei N.; Gazieva, Galina A.; Karnoukhova, Valentina A.; Kravchenko, Angelina N.","Diastereodivergent synthesis of dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties.","Organic & biomolecular chemistry","2020","18","35","6905","6911","10.1039/d0ob01628d","","","0.71073","MoKα","","0.0723","0.0693","","","0.1978","0.2006","","","","","","1.054","","","","has coordinates,has disorder","258973","2020-11-06","13:13:32",""
"7157680","17.9516","0.0012","16.7643","0.0011","19.6754","0.0013","90","","112.959","0.001","90","","5452.2","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 F N7 O5 S -","- C26 H28 F N7 O4 S -","- C208 H224 F8 N56 O32 S8 -","8","2","","Izmest'ev, Alexei N.; Gazieva, Galina A.; Karnoukhova, Valentina A.; Kravchenko, Angelina N.","Diastereodivergent synthesis of dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties.","Organic & biomolecular chemistry","2020","18","35","6905","6911","10.1039/d0ob01628d","","","0.71073","MoKα","","0.0709","0.0504","","","0.1227","0.1372","","","","","","1.026","","","","has coordinates,has disorder","258973","2020-11-06","13:13:32",""
"7157681","9.6969","0.0006","11.4348","0.0006","24.2698","0.0015","85.022","0.002","85.218","0.002","82.945","0.002","2653.4","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C126 H126 N6 O18 -","6","3","","Schendera, Eva; Villinger, Alexander; Brasholz, Malte","Photoinduced iodine-mediated tandem dehydrogenative Povarov cyclisation/C-H oxygenation reactions.","Organic & biomolecular chemistry","2020","18","35","6912","6915","10.1039/d0ob01494j","","","0.71073","MoKα","","0.0938","0.0533","","","0.1193","0.142","","","","","","1.022","","","","has coordinates,has disorder","258975","2020-11-06","13:13:52",""
"7157682","4.7625","0.0002","13.0451","0.0008","13.8262","0.001","90","","95.126","0.005","90","","855.55","0.09","130","0.1","130","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N4 O7 -","- C15 H18 N4 O7 -","- C30 H36 N8 O14 -","2","1","","Nathanael, Joses G.; White, Jonathan M.; Richter, Annika; Nuske, Madison R.; Wille, Uta","Oxidative damage of proline residues by nitrate radicals (NO<sub>3</sub>˙): a kinetic and product study.","Organic & biomolecular chemistry","2020","18","35","6949","6957","10.1039/d0ob01337d","","x-ray","1.54184","CuKα","","0.0555","0.0447","","","0.1079","0.1183","","","","","","1.07","","","","has coordinates","258974","2020-11-06","13:13:41",""
"7157683","8.6636","0.0009","8.9777","0.0011","13.8142","0.0016","83.784","0.004","78.625","0.003","68.828","0.003","981.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 Cl F3 N -","- C23 H17 Cl F3 N -","- C46 H34 Cl2 F6 N2 -","2","1","","Li, Peng-Hua; Wei, Yin; Shi, Min","Cu(I)-Catalyzed addition-cycloisomerization difunctionalization reaction of 1,3-enyne-alkylidenecyclopropanes (ACPs).","Organic & biomolecular chemistry","2020","18","36","7127","7138","10.1039/d0ob01692f","","","0.71073","MoKα","","0.0645","0.0484","","","0.1324","0.1473","","","","","","1.023","","","","has coordinates","258970","2020-11-06","13:12:44",""
"7157684","8.754","0.0003","13.9202","0.0005","20.4884","0.0007","70.805","0.001","84.483","0.001","81.586","0.001","2329.4","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 F3 N -","- C27 H26 F3 N -","- C108 H104 F12 N4 -","4","2","","Li, Peng-Hua; Wei, Yin; Shi, Min","Cu(I)-Catalyzed addition-cycloisomerization difunctionalization reaction of 1,3-enyne-alkylidenecyclopropanes (ACPs).","Organic & biomolecular chemistry","2020","18","36","7127","7138","10.1039/d0ob01692f","","","0.71073","MoKα","","0.1853","0.1232","","","0.3304","0.3905","","","","","","1.284","","","","has coordinates,has disorder","258970","2020-11-06","13:12:44",""
"7157685","18.4957","0.0013","7.8032","0.0005","25.76","0.002","90","","92.571","0.007","90","","3714.1","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-benzyl-3-(p-tolyl)-[1,2,3]triazolo[1,5-a]quinoline","","- C24 H19 N3 -","- C24 H19 N3 -","- C192 H152 N24 -","8","2","","Yang, Jianhua; Xiong, Shaoqi; Ren, Yongsheng; Xiao, Tiebo; Jiang, Yubo","Copper-catalyzed cross-coupling and sequential allene-mediated cyclization for the synthesis of 1,2,3-triazolo[1,5-<i>a</i>]quinolines.","Organic & biomolecular chemistry","2020","18","36","7174","7182","10.1039/d0ob00435a","","x-ray","0.71073","MoKα","","0.1387","0.0668","","","0.1368","0.1772","","","","","","1.006","","","","has coordinates","258971","2020-11-06","13:12:52",""
"7157686","18.7943","0.0014","11.2236","0.0008","9.8308","0.0008","90","","95.655","0.002","90","","2063.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 F3 N O2 -","- C22 H24 F3 N O2 -","- C88 H96 F12 N4 O8 -","4","1","","Ma, Rui-Jun; Sun, Jian-Ting; Liu, Chang-Hong; Chen, Ling; Si, Chang-Mei; Wei, Bang-Guo","Synthesis of 1-benzylisoindoline and 1-benzyl-tetrahydroisoquinoline through nucleophilic addition of organozinc reagents to <i>N</i>,<i>O</i>-acetals.","Organic & biomolecular chemistry","2020","18","36","7139","7150","10.1039/d0ob01477j","","","0.71073","MoKα","","0.067","0.0469","","","0.1159","0.1317","","","","","","1.031","","","","has coordinates,has disorder","258967","2020-11-06","13:11:59",""
"7157687","14.3884","0.0013","26.944","0.003","6.9828","0.0006","90","","90","","90","","2707.1","0.5","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","1","","Borgohain, Hemi; Talukdar, Kangkan; Sarma, Bipul; Das, Sajal Kumar","Regioselectivity of the trifluoroethanol-promoted intramolecular <i>N</i>-Boc-epoxide cyclization towards 1,3-oxazolidin-2-ones and 1,3-oxazinan-2-ones.","Organic & biomolecular chemistry","2020","18","37","7401","7413","10.1039/d0ob01698e","","","0.71073","MoKα","","0.1318","0.062","","","0.1681","0.2411","","","","","","0.767","","","","has coordinates","258947","2020-11-06","13:07:18",""
"7157688","7.313","0.001","9.4042","0.0012","9.8866","0.0013","97.32","0.007","95.213","0.007","94.533","0.007","668.77","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C32 H30 N2 O6 -","2","1","","Borgohain, Hemi; Talukdar, Kangkan; Sarma, Bipul; Das, Sajal Kumar","Regioselectivity of the trifluoroethanol-promoted intramolecular <i>N</i>-Boc-epoxide cyclization towards 1,3-oxazolidin-2-ones and 1,3-oxazinan-2-ones.","Organic & biomolecular chemistry","2020","18","37","7401","7413","10.1039/d0ob01698e","","","0.71073","MoKα","","0.0639","0.0451","","","0.1199","0.1413","","","","","","0.78","","","","has coordinates","258947","2020-11-06","13:07:18",""
"7157689","14.6384","0.0003","6.909","0.0001","30.7229","0.0007","90","","90","","90","","3107.21","0.11","100","0.2","100","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C168 H128 N16 O8 -","8","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","1.54178","CuKα","","0.0433","0.0375","","","0.0963","0.0997","","","","","","1.119","","","","has coordinates","258972","2020-11-06","13:13:09",""
"7157690","10.3439","0.0004","6.8286","0.0002","20.1913","0.0007","90","","97.86","0.001","90","","1412.8","0.08","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 F N2 -","- C20 H12 F N2 -","- C80 H48 F4 N8 -","4","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","0.71073","MoKα","","0.0481","0.0413","","","0.109","0.114","","","","","","1.056","","","","has coordinates,has disorder","258972","2020-11-06","13:13:10",""
"7157691","6.0455","0.0005","11.0023","0.001","11.7294","0.001","112.103","0.004","96.044","0.004","93.256","0.004","714.87","0.11","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H13 F N2 -","- C20 H13 F N2 -","- C40 H26 F2 N4 -","2","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","0.71073","MoKα","","0.0783","0.0472","","","0.1189","0.1408","","","","","","1.052","","","","has coordinates","258972","2020-11-06","13:13:10",""
"7157692","7.8602","0.0002","8.983","0.0002","11.3189","0.0003","94.775","0.001","108.443","0.001","100.754","0.001","736.11","0.03","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 F2 N2 -","- C20 H12 F2 N2 -","- C40 H24 F4 N4 -","2","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","0.71073","MoKα","","0.0391","0.0346","","","0.0839","0.0874","","","","","","1.057","","","","has coordinates","258972","2020-11-06","13:13:10",""
"7157693","5.9542","0.0002","10.6468","0.0004","13.6281","0.0005","83.162","0.002","86.529","0.002","76.857","0.001","834.81","0.05","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C44 H36 N4 O4 -","2","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","0.71073","MoKα","","0.0552","0.0494","","","0.1179","0.1237","","","","","","1.064","","","","has coordinates","258972","2020-11-06","13:13:10",""
"7157694","14.2321","0.0007","13.7476","0.0006","19.4973","0.0009","90","","90","","90","","3814.8","0.3","100","0.2","100","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C184 H160 N16 O24 -","8","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","0.71073","MoKα","","0.0608","0.0389","","","0.0879","0.1031","","","","","","1.076","","","","has coordinates","258972","2020-11-06","13:13:10",""
"7157695","13.9563","0.0002","10.5922","0.0002","15.5819","0.0002","90","","90","","90","","2303.44","0.06","173","0.1","173","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-dimethyl-4-phenyl-1,2,3-triazolium iodide","","- C10 H12 I N3 -","- C10 H12 I N3 -","- C80 H96 I8 N24 -","8","1","","Byrne, Joseph P.; Albrecht, Martin","Anion-cation synergistic metal-free catalytic oxidative homocoupling of benzylamines by triazolium iodide salts.","Organic & biomolecular chemistry","2020","18","37","7379","7387","10.1039/d0ob01472a","","x-ray","0.71073","MoKα","","0.0537","0.0308","","","0.0707","0.0848","","","","","","1.068","","","","has coordinates","258948","2020-11-06","13:07:29",""
"7157696","14.4577","0.0001","10.5526","0.0001","15.7197","0.0001","90","","90","","90","","2398.3","0.03","173.01","0.1","173.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,3-dimethyl-4-phenyl-1,2,3-triazolium tetrafluoroborate","","- C10 H12 B F4 N3 -","- C10 H12 B F4 N3 -","- C80 H96 B8 F32 N24 -","8","1","","Byrne, Joseph P.; Albrecht, Martin","Anion-cation synergistic metal-free catalytic oxidative homocoupling of benzylamines by triazolium iodide salts.","Organic & biomolecular chemistry","2020","18","37","7379","7387","10.1039/d0ob01472a","","x-ray","1.54184","CuKα","","0.0477","0.0434","","","0.1276","0.1343","","","","","","1.083","","","","has coordinates,has disorder","258948","2020-11-06","13:07:30",""
"7157697","20.4846","0.0008","9.4451","0.0003","15.8942","0.0007","90","","99.242","0.004","90","","3035.3","0.2","173","0.1","173","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-dimethyl-4-phenyl-1,2,3-triazolium triiodide","","- C10 H12 I3 N3 -","- C10 H12 I3 N3 -","- C80 H96 I24 N24 -","8","1","","Byrne, Joseph P.; Albrecht, Martin","Anion-cation synergistic metal-free catalytic oxidative homocoupling of benzylamines by triazolium iodide salts.","Organic & biomolecular chemistry","2020","18","37","7379","7387","10.1039/d0ob01472a","","x-ray","1.54184","CuKα","","0.0713","0.0652","","","0.191","0.1977","","","","","","1.102","","","","has coordinates","258948","2020-11-06","13:07:30",""
"7157698","12.1573","0.0013","12.3663","0.0013","15.5243","0.0014","90","","107.422","0.003","90","","2226.9","0.4","192","2","192","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 Cl -","- C31 H23 Cl -","- C124 H92 Cl4 -","4","1","","Wei, Hao-Zhao; Li, Quan-Zhe; Wei, Yin; Shi, Min","Rapid construction of cyclopenta[<i>b</i>]naphthalene frameworks from propargylic alcohol tethered methylenecyclopropanes.","Organic & biomolecular chemistry","2020","18","37","7396","7400","10.1039/d0ob01732a","","","0.71073","MoKα","","0.0414","0.035","","","0.0828","0.0874","","","","","","1.014","","","","has coordinates","258949","2020-11-06","13:07:39",""
"7157699","20.7442","0.0006","12.396","0.0003","7.5295","0.0002","90","","90","","90","","1936.17","0.09","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C26 H21 Cl -","- C26 H21 Cl -","- C104 H84 Cl4 -","4","1","","Wei, Hao-Zhao; Li, Quan-Zhe; Wei, Yin; Shi, Min","Rapid construction of cyclopenta[<i>b</i>]naphthalene frameworks from propargylic alcohol tethered methylenecyclopropanes.","Organic & biomolecular chemistry","2020","18","37","7396","7400","10.1039/d0ob01732a","","","0.71073","MoKα","","0.0384","0.0318","","","0.0795","0.0852","","","","","","1.038","","","","has coordinates","258949","2020-11-06","13:07:40",""
"7157700","8.692","0.001","10.4626","0.0012","12.9164","0.0015","106.067","0.002","98.907","0.002","110.261","0.002","1017.1","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H19 Cl F3 N O2 S -","- C19 H19 Cl F3 N O2 S -","- C38 H38 Cl2 F6 N2 O4 S2 -","2","1","","Wang, Xiaonan; Gao, Yuan; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","Enantioselective addition of thiols to trifluoromethyl ketimines: synthesis of <i>N</i>,<i>S</i>-ketals.","Organic & biomolecular chemistry","2020","18","37","7431","7436","10.1039/d0ob01725f","","","0.71073","MoKα","","0.0744","0.0556","","","0.1462","0.1635","","","","","","1.028","","","","has coordinates","298328","2025-03-07","16:31:40",""
"7157701","34.292","0.005","8.1908","0.0013","16.147","0.003","90","","111.061","0.005","90","","4232.4","1.2","296","2","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","(3R,3'S,4'R,4a'S,9a'R)-1-(tert-Butyl) 3'-ethyl 3''-benzyl-2,4'',9'-trioxo-2''-thioxo-4a',9a'- dihydro-1'H,3'H,9'H-dispiro[indoline-3,2'-xanthene-4',5''-thiazolidine]-1,3'-dicarboxylate","","- C37 H34 N2 O8 S2 -","- C37 H34 N2 O8 S2 -","- C148 H136 N8 O32 S8 -","4","1","","Song, Yong-Xing; Lin, Ye; Yan, Li; Du, Da-Ming","An organocatalytic domino Michael addition strategy: construction of bispiro[oxindole-thiazolidinone-hexahydroxanthone]s with five contiguous stereocenters.","Organic & biomolecular chemistry","2020","18","37","7373","7378","10.1039/d0ob01613f","","","0.71073","MoKα","","0.0404","0.0331","","","0.0846","0.0881","","","","","","1.058","","","","has coordinates,has disorder","258946","2020-11-06","13:07:10",""
"7157702","14.4086","0.0001","13.7833","0.0001","14.4694","0.0001","90","","110.157","0.001","90","","2697.59","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","PF1022A","","- C53 H80 N4 O13 -","- C53 H80 N4 O13 -","- C106 H160 N8 O26 -","2","1","","Stadelmann, Thomas; Subramanian, Govindan; Menon, Sanjay; Townsend, Chad E.; Lokey, R. Scott; Ebert, Marc-Olivier; Riniker, Sereina","Connecting the conformational behavior of cyclic octadepsipeptides with their ionophoric property and membrane permeability.","Organic & biomolecular chemistry","2020","18","36","7110","7126","10.1039/d0ob01447h","","x-ray","1.54184","CuKα","","0.0287","0.028","","","0.0695","0.0699","","","","","","1.073","","","","has coordinates,has disorder","258966","2020-11-06","13:11:49",""
"7157703","14.9008","0.0001","15.8307","0.0001","16.8469","0.0001","111.244","0.001","101.429","0.001","100.095","0.001","3495.22","0.06","100","0.1","100","0.1","","","","","","","","6","P 1","P 1","1","","bis(PF1022A)-tris(Potassium thiocianate)","","- C118 H198 K3 N11 O36 S3 -","- C118 H198 K3 N11 O36 S3 -","- C118 H198 K3 N11 O36 S3 -","1","1","","Stadelmann, Thomas; Subramanian, Govindan; Menon, Sanjay; Townsend, Chad E.; Lokey, R. Scott; Ebert, Marc-Olivier; Riniker, Sereina","Connecting the conformational behavior of cyclic octadepsipeptides with their ionophoric property and membrane permeability.","Organic & biomolecular chemistry","2020","18","36","7110","7126","10.1039/d0ob01447h","","x-ray","1.54184","CuKα","","0.0533","0.0502","","","0.1423","0.1453","","","","","","1.035","","","","has coordinates,has disorder","258966","2020-11-06","13:11:49",""
"7157704","8.3648","0.0003","24.4988","0.0011","8.6463","0.0004","90","","106.405","0.002","90","","1699.73","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Qiao, Shanshan; Qian, Peng-Cheng; Chen, Fan; Cheng, Jiang","Iron-catalyzed radical cascade 6-<i>endo</i> cyclization of dienes towards fused nitrogen heterocycles initiated by an alkoxycarbonyl radical.","Organic & biomolecular chemistry","2020","18","36","7086","7089","10.1039/d0ob01438a","","","0.71073","MoKα","","0.0564","0.0431","","","0.1099","0.1218","","","","","","1.032","","","","has coordinates","258968","2020-11-06","13:12:06",""
"7157705","7.6399","0.0013","11.119","0.002","15.958","0.003","70.281","0.006","78.966","0.005","74.305","0.005","1221","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 N2 O8 S -","- C27 H20 N2 O8 S -","- C54 H40 N4 O16 S2 -","2","1","","Sathi, Vidya; Thomas, Noble V.; Deepthi, Ani","Stereoselective synthesis of dispiro heterocycles by [3 + 2] cycloaddition of azomethine ylides with a thiazolo[3,2-<i>a</i>]indole derivative.","Organic & biomolecular chemistry","2020","18","39","7822","7826","10.1039/d0ob01559h","","","0.71073","MoKα","","0.0653","0.0416","","","0.0945","0.1107","","","","","","1.009","","","","has coordinates","258956","2020-11-06","13:09:10",""
"7157706","13.215","0.003","11.927","0.002","15.344","0.003","90","","101.15","0.03","90","","2372.8","0.9","150","2","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 F N2 O2 S Se -","- C28 H21 F N2 O2 S Se -","- C112 H84 F4 N8 O8 S4 Se4 -","4","1","","Yao, Hai-Feng; Wang, Dian-Liang; Li, Fang-Hui; Wu, Bing; Cai, Zhong-Jian; Ji, Shun-Jun","Synthesis of organoselenyl isoquinolinium imides <i>via</i> iron(III) chloride-mediated tandem cyclization/selenation of <i>N</i>'-(2-alkynylbenzylidene)hydrazides and diselenides.","Organic & biomolecular chemistry","2020","18","38","7577","7584","10.1039/d0ob01517b","","","0.71073","MoKα","","0.0416","0.0382","","","0.0932","0.0955","","","","","","1.015","","","","has coordinates,has disorder","258980","2020-11-06","13:14:52",""
"7157707","22.757","0.01","4.748","0.002","23.677","0.01","90","","104.854","0.016","90","","2472.8","1.8","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 Cl N2 O -","- C16 H9 Cl N2 O -","- C128 H72 Cl8 N16 O8 -","8","2","","Chen, Junrong; Li, Zhenmin; Suleman, Muhammad; Wang, Zaibin; Lu, Ping; Wang, Yanguang","TfOH-promoted synthesis of 4,5-dihydrooxazolo[5,4-<i>c</i>]isoquinolines <i>via</i> formal [3 + 2] cycloaddition of 4-diazoisoquinolin-3-one and benzonitriles.","Organic & biomolecular chemistry","2020","18","38","7671","7676","10.1039/d0ob01748e","","","0.71073","MoKα","","0.0573","0.0439","","","0.1024","0.1108","","","","","","1.035","","","","has coordinates","258979","2020-11-06","13:14:40",""
"7157708","7.7469","0.0008","17.4348","0.0019","14.3624","0.0016","90","","92.609","0.002","90","","1937.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N2 O S -","- C23 H20 N2 O S -","- C92 H80 N8 O4 S4 -","4","1","","Zhang, Xuxue; Liu, Chuan; Deng, Yupian; Cao, Song","Chemo- and regioselective synthesis of polysubstituted 2-aminothiophenes by the cyclization of <i>gem</i>-dibromo or <i>gem</i>-dichloroalkenes with β-keto tertiary thioamides.","Organic & biomolecular chemistry","2020","18","38","7540","7544","10.1039/d0ob01821j","","","0.71073","MoKα","","0.0731","0.054","","","0.1297","0.1401","","","","","","1.044","","","","has coordinates","258978","2020-11-06","13:14:33",""
"7157709","5.6871","0.0003","8.6686","0.0004","18.3693","0.0007","81.037","0.004","88.297","0.004","87.959","0.004","893.7","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 F3 N O3 S -","- C18 H18 F3 N O3 S -","- C36 H36 F6 N2 O6 S2 -","2","1","","Bonciolini, Stefano; Di Filippo, Mara; Baumann, Marcus","A scalable continuous photochemical process for the generation of aminopropylsulfones.","Organic & biomolecular chemistry","2020","18","46","9428","9432","10.1039/d0ob01801e","","","1.54184","CuKα","","0.0551","0.0489","","","0.125","0.1314","","","","","","1.044","","","","has coordinates,has disorder","260811","2021-01-07","07:05:46",""
"7157710","9.4888","0.0005","7.2783","0.0003","12.988","0.0007","90","","97.094","0.005","90","","890.12","0.08","200","2","200","2","","","","","","","twigs of Aleurites moluccanus","3","P 1 21 1","P 2yb","4","","Aleuritin","","- C19 H24 O6 -","- C19 H24 O6 -","- C38 H48 O12 -","2","1","","Chang, Fang-Rong; Wang, Shih-Wei; Chen, Shu-Rong; Lee, Ching-Ying; Sheu, Jyh-Horng; Cheng, Yuan-Bin","Aleuritin, a novel dinor-diterpenoid from the twigs of <i>Aleurites moluccanus</i> with an anti-lymphangiogenic effect.","Organic & biomolecular chemistry","2020","18","39","7892","7898","10.1039/d0ob01527j","","","1.54178","CuKα","","0.0646","0.0504","","","0.1141","0.1229","","","","","","1.044","","","","has coordinates","258958","2020-11-06","13:09:25",""
"7157711","7.0307","0.001","8.666","0.001","25.171","0.005","90","","90","","90","","1533.6","0.4","150","2","150","2","","","","","","","Aleurites moluccanus","3","P 21 21 21","P 2ac 2ab","19","","rel-(5β,8α,10α)-8-hydroxy-13-methylpodocarpa-9(11),13-diene-3,12-dione","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","1","","Chang, Fang-Rong; Wang, Shih-Wei; Chen, Shu-Rong; Lee, Ching-Ying; Sheu, Jyh-Horng; Cheng, Yuan-Bin","Aleuritin, a novel dinor-diterpenoid from the twigs of <i>Aleurites moluccanus</i> with an anti-lymphangiogenic effect.","Organic & biomolecular chemistry","2020","18","39","7892","7898","10.1039/d0ob01527j","","","1.54178","CuKα","","0.1349","0.0728","","","0.1698","0.2208","","","","","","1.079","","","","has coordinates","258958","2020-11-06","13:09:25",""
"7157712","7.526","0.0004","13.1519","0.0007","17.4059","0.0016","90","","90","","90","","1722.9","0.2","200","2","200","2","","","","","","","twigs of Aleurites moluccanus","3","P 21 21 21","P 2ac 2ab","19","","aleuritone","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Chang, Fang-Rong; Wang, Shih-Wei; Chen, Shu-Rong; Lee, Ching-Ying; Sheu, Jyh-Horng; Cheng, Yuan-Bin","Aleuritin, a novel dinor-diterpenoid from the twigs of <i>Aleurites moluccanus</i> with an anti-lymphangiogenic effect.","Organic & biomolecular chemistry","2020","18","39","7892","7898","10.1039/d0ob01527j","","","1.54178","CuKα","","0.076","0.0584","","","0.1406","0.1535","","","","","","0.958","","","","has coordinates","258958","2020-11-06","13:09:25",""
"7157713","7.6762","0.0001","12.3159","0.0002","17.1409","0.0003","90","","90","","90","","1620.49","0.04","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","isoindoloquinazolinone","ethyl 12-hydroxy-4-methyl-10-oxo-10,12-dihydroisoindolo[1,2-b]quinazoline-12-carboxylate","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Choi, Jin Ho; Kim, Kunyoung; Oh, Harin; Han, Sangil; Mishra, Neeraj Kumar; Kim, In Su","Ru(ii)-Catalyzed C-H addition and oxidative cyclization of 2-aryl quinazolinones with activated aldehydes.","Organic & biomolecular chemistry","2020","18","47","9611","9622","10.1039/d0ob01663b","","","0.71073","MoKα","","0.0694","0.0549","","","0.1498","0.1613","","","","","","1.004","","","","has coordinates","260818","2021-01-07","07:07:26",""
"7157714","12.3228","0.0014","13.5824","0.0012","19.942","0.002","90","","104.136","0.003","90","","3236.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H38 N2 O3 S -","- C37 H38 N2 O3 S -","- C148 H152 N8 O12 S4 -","4","1","","Kumaran, Subramani; Prabhakaran, Mohan; Mariyammal, Narayanan; Parthasarathy, Kanniyappan","Catalyst-free 1,6-conjugate addition of indoles and 4-hydroxycoumarins to <i>para</i>-quinone methides: synthesis of unsymmetrical triarylmethanes.","Organic & biomolecular chemistry","2020","18","39","7837","7841","10.1039/d0ob01789b","","","0.71073","MoKα","","0.1282","0.0516","","","0.0994","0.1294","","","","","","1.016","","","","has coordinates","258959","2020-11-06","13:09:35",""
"7157715","18.4913","0.0006","4.7672","0.0001","19.316","0.0007","90","","94.258","0.002","90","","1698.04","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Br2 N5 O2 -","- C16 H15 Br2 N5 O2 -","- C64 H60 Br8 N20 O8 -","4","1","","Galve, Iñaki; Ondoño, Raül; de Rocafiguera, Claudi; Puig de la Bellacasa, Raimon; Batllori, Xavier; Puigjaner, Cristina; Font-Bardia, Mercè; Vallcorba, Oriol; Teixidó, Jordi; Borrell, José I","A captured room temperature stable Wheland intermediate as a key structure for the orthogonal decoration of 4-amino-pyrido[2,3-<i>d</i>]pyrimidin-7(8<i>H</i>)-ones.","Organic & biomolecular chemistry","2020","18","48","9810","9815","10.1039/d0ob01785j","","","0.71073","MoKα","","0.0679","0.0561","","","0.155","0.1626","","","","","","1.074","","","","has coordinates","260823","2021-01-07","07:07:58",""
"7157716","11.2245","0.0005","13.0227","0.0005","13.7251","0.0005","92.741","0.003","106.371","0.003","107.992","0.003","1810.67","0.14","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 B2 F9 N3 O2 -","- C32 H26 B2 F9 N3 O2 -","- C64 H52 B4 F18 N6 O4 -","2","1","","Moneva Lorente, Pau; Wallabregue, Antoine; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Lacour, Jérôme","Synthesis and properties of chiral fluorescent helicene-BODIPY conjugates.","Organic & biomolecular chemistry","2020","18","38","7677","7684","10.1039/d0ob01809k","","x-ray","1.54184","CuKα","","0.0602","0.0516","","","0.1506","0.1593","","","","","","1.045","","","","has coordinates,has disorder","258981","2020-11-06","13:14:58",""
"7157717","3.9404","0.0001","16.0925","0.0003","9.1575","0.0002","90","","90.254","0.001","90","","580.68","0.02","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C30 H22 N2 O4 -","2","1","","Bian, Zi-Long; Lv, Xin-Xin; Li, Ya-Lan; Sun, Wen-Wu; Liu, Ji-Kai; Wu, Bin","Acid-promoted synthesis and photophysical properties of substituted acridine derivatives.","Organic & biomolecular chemistry","2020","18","40","8141","8146","10.1039/d0ob01824d","","","1.54178","","","0.0298","0.0292","","","0.081","0.0817","","","","","","1.07","","","","has coordinates","258963","2020-11-06","13:10:43",""
"7157718","18.7602","0.0014","9.1601","0.0006","16.7999","0.0012","90","","90","","90","","2887","0.4","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H13 N O2 -","- C19 H13 N O2 -","- C152 H104 N8 O16 -","8","2","","Bian, Zi-Long; Lv, Xin-Xin; Li, Ya-Lan; Sun, Wen-Wu; Liu, Ji-Kai; Wu, Bin","Acid-promoted synthesis and photophysical properties of substituted acridine derivatives.","Organic & biomolecular chemistry","2020","18","40","8141","8146","10.1039/d0ob01824d","","","1.54178","CuKα","","0.0507","0.0454","","","0.1219","0.1266","","","","","","1.01","","","","has coordinates","258963","2020-11-06","13:10:43",""
"7157719","15.014","0.002","10.0228","0.0011","21.573","0.005","90","","90","","90","","3246.4","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C144 H144 N16 O24 -","8","1","","Luo, Yan; Chen, Chun-Hua; Zhu, Fan; Mo, Dong-Liang","Synthesis of α-aminooxy amides through [3 + 3] cycloaddition and Sc(OTf)<sub>3</sub>-catalyzed double C-N bond cleavage in a one-pot reaction.","Organic & biomolecular chemistry","2020","18","40","8209","8218","10.1039/d0ob01788d","","x-ray","0.71073","MoKα","","0.2084","0.0871","","","0.2286","0.3103","","","","","","1.018","","","","has coordinates","298328","2025-03-07","16:31:40",""
"7157720","11.2384","0.0006","10.343","0.0005","13.5036","0.0008","90","","107.74","0.006","90","","1495","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","1","","Luo, Yan; Chen, Chun-Hua; Zhu, Fan; Mo, Dong-Liang","Synthesis of α-aminooxy amides through [3 + 3] cycloaddition and Sc(OTf)<sub>3</sub>-catalyzed double C-N bond cleavage in a one-pot reaction.","Organic & biomolecular chemistry","2020","18","40","8209","8218","10.1039/d0ob01788d","","","0.71073","MoKα","","0.0851","0.0593","","","0.1497","0.1658","","","","","","1.055","","","","has coordinates","258965","2020-11-06","13:11:13",""
"7157721","10.114","0.0005","10.3178","0.0005","10.5034","0.0005","90","","102.09","0.002","90","","1071.76","0.09","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Gangadurai, Chinnakuzhanthai; Illa, Giri Teja; Reddy, D. Srinivasa","FeCl<sub>3</sub>-catalyzed oxidative decarboxylation of aryl/heteroaryl acetic acids: preparation of selected API impurities.","Organic & biomolecular chemistry","2020","18","41","8459","8466","10.1039/d0ob01790f","","","0.71073","MoKα","","0.0327","0.0309","","","0.0753","0.0765","","","","","","1.013","","","","has coordinates","258951","2020-11-06","13:07:57",""
"7157722","5.8087","0.0003","11.2608","0.0007","47.001","0.002","93.058","0.005","90.358","0.004","92.48","0.005","3067","0.3","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C37 H34 I N O2 -","- C37 H33.755 I N O2 -","- C148 H135.02 I4 N4 O8 -","4","2","","Xi, Zhi-Wei; He, Yan; Liu, Li-Qiu; Wang, Ying-Chun","Palladium-catalyzed double coupling reaction of terminal alkynes with isocyanides: a direct approach to symmetrical <i>N</i>-aryl dialkynylimines.","Organic & biomolecular chemistry","2020","18","40","8089","8093","10.1039/d0ob01604g","","x-ray","1.54184","CuKα","","0.1386","0.0949","","","0.2192","0.2505","","","","","","1.086","","","","has coordinates,has disorder","258964","2020-11-06","13:11:00",""
"7157723","8.2053","0.0005","9.9516","0.0006","14.8729","0.0013","79.118","0.006","88.843","0.006","68.605","0.006","1108.86","0.15","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H40 N2 O -","- C23 H40 N2 O -","- C46 H80 N4 O2 -","2","1","","Xi, Zhi-Wei; He, Yan; Liu, Li-Qiu; Wang, Ying-Chun","Palladium-catalyzed double coupling reaction of terminal alkynes with isocyanides: a direct approach to symmetrical <i>N</i>-aryl dialkynylimines.","Organic & biomolecular chemistry","2020","18","40","8089","8093","10.1039/d0ob01604g","","x-ray","0.71073","MoKα","","0.0654","0.0497","","","0.107","0.1161","","","","","","1.049","","","","has coordinates","258964","2020-11-06","13:11:00",""
"7157724","5.8348","0.0003","14.7954","0.0009","21.5626","0.0013","90","","92.427","0.005","90","","1859.79","0.19","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H15 F2 N -","- C27 H15 F2 N -","- C108 H60 F8 N4 -","4","1","","Xi, Zhi-Wei; He, Yan; Liu, Li-Qiu; Wang, Ying-Chun","Palladium-catalyzed double coupling reaction of terminal alkynes with isocyanides: a direct approach to symmetrical <i>N</i>-aryl dialkynylimines.","Organic & biomolecular chemistry","2020","18","40","8089","8093","10.1039/d0ob01604g","","x-ray","0.71073","MoKα","","0.0498","0.0389","","","0.0847","0.0907","","","","","","1.05","","","","has coordinates","258964","2020-11-06","13:11:01",""
"7157725","8.6569","0.0013","11.7473","0.0017","16.347","0.002","98.164","0.011","91.884","0.011","90.183","0.012","1644.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 F N O3 -","- C17 H22 F N O3 -","- C68 H88 F4 N4 O12 -","4","2","","Chen, Suo; Ruan, Yao; Lu, Ji-Liang; Hunter, Luke; Hu, Xiang-Guo","Diastereoselective synthesis and conformational analysis of 4,5-difluoropipecolic acids.","Organic & biomolecular chemistry","2020","18","40","8192","8198","10.1039/d0ob01811b","","","0.71073","MoKα","","0.1611","0.103","","","0.2644","0.3163","","","","","","1.052","","","","has coordinates","258962","2020-11-06","13:10:35",""
"7157726","9.0751","0.0005","6.1933","0.0003","15.1581","0.0007","90","","98.79","0.004","90","","841.95","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H23 F2 N O3 -","- C17 H23 F2 N O3 -","- C34 H46 F4 N2 O6 -","2","1","","Chen, Suo; Ruan, Yao; Lu, Ji-Liang; Hunter, Luke; Hu, Xiang-Guo","Diastereoselective synthesis and conformational analysis of 4,5-difluoropipecolic acids.","Organic & biomolecular chemistry","2020","18","40","8192","8198","10.1039/d0ob01811b","","","0.71073","MoKα","","0.0435","0.0392","","","0.0916","0.095","","","","","","1.099","","","","has coordinates","258962","2020-11-06","13:10:35",""
"7157727","6.0625","0.0004","22.0365","0.0015","12.8581","0.001","90","","90.522","0.007","90","","1717.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 F2 N O3 -","- C17 H23 F2 N O3 -","- C68 H92 F8 N4 O12 -","4","1","","Chen, Suo; Ruan, Yao; Lu, Ji-Liang; Hunter, Luke; Hu, Xiang-Guo","Diastereoselective synthesis and conformational analysis of 4,5-difluoropipecolic acids.","Organic & biomolecular chemistry","2020","18","40","8192","8198","10.1039/d0ob01811b","","","0.71073","MoKα","","0.0681","0.0499","","","0.1214","0.1321","","","","","","1.064","","","","has coordinates","258962","2020-11-06","13:10:35",""
"7157728","9.5144","0.0005","13.3582","0.0007","16.0144","0.001","90","","102.194","0.002","90","","1989.43","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N3 O2 -","- C24 H21 N3 O2 -","- C96 H84 N12 O8 -","4","1","","Tang, Shi-Biao; Fu, Xiao-Pan; Wu, Gao-Rong; Zhang, Li-Li; Deng, Ke-Zuan; Yang, Jin-Yue; Xia, Cheng-Cai; Ji, Ya-Fei","Rhodium(III)-catalyzed C4-amidation of indole-oximes with dioxazolones <i>via</i> C-H activation.","Organic & biomolecular chemistry","2020","18","39","7922","7931","10.1039/d0ob01655a","","","0.71073","MoKα","","0.0751","0.0487","","","0.1096","0.1292","","","","","","1.046","","","","has coordinates","258957","2020-11-06","13:09:17",""
"7157730","8.1628","0.0006","13.0501","0.0008","13.9274","0.001","90","","103.346","0.008","90","","1443.55","0.18","111.95","0.1","111.95","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H20 O6 -","- C16 H20 O6 -","- C64 H80 O24 -","4","1","","Yan, Hai-Wei; Zhang, Xu; Yang, Ya-Nan; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Pei-Cheng","Archromones A-F, unusual polycyclic dearomatic geranylquinol derivatives from the roots of <i>Arnebia euchroma</i>.","Organic & biomolecular chemistry","2020","18","41","8424","8432","10.1039/d0ob01934h","","x-ray","1.54184","CuKα","","0.0371","0.036","","","0.0933","0.0948","","","","","","1.023","","","","has coordinates","258950","2020-11-06","13:07:50",""
"7157731","7.2801","0.0002","9.9611","0.0003","18.9298","0.0005","90","","90","","90","","1372.75","0.07","111.65","0.1","111.65","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Yan, Hai-Wei; Zhang, Xu; Yang, Ya-Nan; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Pei-Cheng","Archromones A-F, unusual polycyclic dearomatic geranylquinol derivatives from the roots of <i>Arnebia euchroma</i>.","Organic & biomolecular chemistry","2020","18","41","8424","8432","10.1039/d0ob01934h","","x-ray","1.54184","CuKα","","0.036","0.035","","","0.0892","0.09","","","","","","1.075","","","","has coordinates","258950","2020-11-06","13:07:50",""
"7157732","16.8403","0.0003","10.54278","0.00019","7.78736","0.00014","90","","90","","90","","1382.6","0.04","110.2","0.14","110.2","0.14","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Yan, Hai-Wei; Zhang, Xu; Yang, Ya-Nan; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Pei-Cheng","Archromones A-F, unusual polycyclic dearomatic geranylquinol derivatives from the roots of <i>Arnebia euchroma</i>.","Organic & biomolecular chemistry","2020","18","41","8424","8432","10.1039/d0ob01934h","","x-ray","1.54184","CuKα","","0.0349","0.0337","","","0.0882","0.0895","","","","","","1.031","","","","has coordinates","258950","2020-11-06","13:07:50",""
"7157733","7.1617","0.0001","9.7401","0.0002","18.6984","0.0003","90","","90","","90","","1304.32","0.04","100.02","0.1","100.02","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C64 H72 O12 -","4","1","","Yan, Hai-Wei; Zhang, Xu; Yang, Ya-Nan; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Pei-Cheng","Archromones A-F, unusual polycyclic dearomatic geranylquinol derivatives from the roots of <i>Arnebia euchroma</i>.","Organic & biomolecular chemistry","2020","18","41","8424","8432","10.1039/d0ob01934h","","x-ray","1.54184","CuKα","","0.0362","0.0334","","","0.0853","0.0868","","","","","","1.085","","","","has coordinates","258950","2020-11-06","13:07:50",""
"7157734","9.6261","0.00009","6.61723","0.00011","14.2237","0.0002","90","","98.0027","0.0011","90","","897.2","0.02","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-tert-butyl 4-((R)-2-(4-chlorophenyl)-5-oxo-2,5-dihydrofuran-2-yl)-2-oxopyrrolidine-1-carboxylate","","- C19 H20 Cl N O5 -","- C19 H20 Cl N O5 -","- C38 H40 Cl2 N2 O10 -","2","1","","Romaniszyn, Marta; Sieroń, Lesław; Albrecht, Łukasz","Asymmetric vinylogous Michael addition of 5-substituted-furan-2(3<i>H</i>)-ones to an α,β-unsaturated-γ-lactam.","Organic & biomolecular chemistry","2020","18","42","8633","8637","10.1039/d0ob01750g","","x-ray","1.54184","CuKα","","0.0225","0.0225","","","0.0589","0.0589","","","","","","1.055","","","","has coordinates","258955","2020-11-06","13:09:02",""
"7157735","17.1752","0.0002","8.82114","0.00017","24.8611","0.0005","90","","90","","90","","3766.58","0.11","150","0.2","150","0.2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C40 H52 O11 -","- C40 H52 O11 -","- C160 H208 O44 -","4","0.5","","Choo, Yvonne S. L.; Giamberini, Marta; Antonio, José; Waddell, Paul G.; Benniston, Andrew C.","Functionalized fluorescent terephthalate monomers and their attempted polyester formation.","Organic & biomolecular chemistry","2020","18","42","8735","8745","10.1039/d0ob01533d","","","1.54184","CuKα","","0.0486","0.0357","","","0.0846","0.0925","","","","","","1.041","","","","has coordinates","258954","2020-11-06","13:08:55",""
"7157736","12.9152","0.0018","15.907","0.002","18.038","0.003","90","","90","","90","","3705.8","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C200 H152 N8 O24 -","8","1","","Liu, Siyuan; Wang, Hang; Wang, Baomin","Catalyst-free construction of spiro [benzoquinolizidine-chromanones] <i>via</i> a tandem condensation/1,5-hydride transfer/cyclization process.","Organic & biomolecular chemistry","2020","18","43","8839","8843","10.1039/d0ob01887b","","","0.71073","MoKα","","0.0746","0.0444","","","0.1062","0.1244","","","","","","0.996","","","","has coordinates","298328","2025-03-07","16:31:40",""
"7157737","8.3127","0.0002","17.1849","0.0003","20.9916","0.0004","90","","90","","90","","2998.71","0.11","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C160 H112 N16 O8 -","8","1","","Jaspal, Sonam; Shinde, Vikki N.; Meena, Neha; Nipate, Dhananjay S.; Rangan, Krishnan; Kumar, Anil","Metal-free benzoylation of imidazoheterocycles by oxidative decarboxylation of arylglyoxylic acids.","Organic & biomolecular chemistry","2020","18","44","9072","9080","10.1039/d0ob01842b","","x-ray","1.54184","CuKα","","0.0464","0.0442","","","0.1217","0.1239","","","","","","1.096","","","","has coordinates","259620","2020-12-06","14:47:06",""
"7157738","11.158","0.002","11.434","0.002","15.708","0.003","90","","96.925","0.004","90","","1989.4","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N5 O2 -","- C23 H17 N5 O2 -","- C92 H68 N20 O8 -","4","1","","Ge, Junying; Ding, Qiuping; Yang, Man; He, Tian; Peng, Yiyuan","Copper and manganese co-mediated cascade aza-Michael addition/cyclization and azidation of 1,3-enynes: regioselective synthesis of fully substituted azido pyrroles.","Organic & biomolecular chemistry","2020","18","43","8908","8915","10.1039/d0ob01927e","","","0.71073","MoKα","","0.1534","0.1017","","","0.2944","0.3298","","","","","","1.16","","","","has coordinates","259621","2020-12-06","14:47:25",""
"7157739","29.8793","0.0017","7.7831","0.0004","12.7135","0.0007","90","","93.634","0.005","90","","2950.6","0.3","90","2","93.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C144 H112 Cl8 N8 O24 -","8","1","","Yugandar, Somaraju; Morita, Taiki; Nakamura, Hiroyuki","Rhodium(III)-catalysed decarboxylative C-H functionalization of isoxazoles with alkenes and sulfoxonium ylides.","Organic & biomolecular chemistry","2020","18","42","8625","8628","10.1039/d0ob02027c","","","1.54184","CuKα","","0.0462","0.0435","","","0.1231","0.1253","","","","","","1.106","","","","has coordinates","258953","2020-11-06","13:08:47",""
"7157740","5.6056","0.0006","17.422","0.002","22.161","0.002","90","","90","","90","","2164.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 F N3 -","- C26 H24 F N3 -","- C104 H96 F4 N12 -","4","1","","Tiwari, Vibha; Bingham, Jacob T.; Vyas, Shubham; Singh, Anand","Intermolecular fluoroamination of allenes towards substituted vinyl fluorides","Organic & Biomolecular Chemistry","2020","18","44","9044","9049","10.1039/D0OB01697G","","","0.71073","MoKα","","0.1026","0.0684","","","0.1064","0.1217","","","","","","1.034","","","","has coordinates","259436","2020-12-02","05:21:41",""
"7157741","9.2995","0.0005","9.7287","0.0005","37.4385","0.0019","90","","90","","90","","3387.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 F N3 -","- C21 H16 F N3 -","- C168 H128 F8 N24 -","8","1","","Tiwari, Vibha; Bingham, Jacob T.; Vyas, Shubham; Singh, Anand","Intermolecular fluoroamination of allenes towards substituted vinyl fluorides","Organic & Biomolecular Chemistry","2020","18","44","9044","9049","10.1039/D0OB01697G","","","0.71073","MoKα","","0.0771","0.044","","","0.0892","0.1079","","","","","","1.076","","","","has coordinates","259436","2020-12-02","05:21:42",""
"7157742","5.4142","0.0007","20.89","0.003","8.3858","0.0011","90","","92.126","0.004","90","","947.8","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 F N3 O -","- C24 H20 F N3 O -","- C48 H40 F2 N6 O2 -","2","1","","Tiwari, Vibha; Bingham, Jacob T.; Vyas, Shubham; Singh, Anand","Intermolecular fluoroamination of allenes towards substituted vinyl fluorides","Organic & Biomolecular Chemistry","2020","18","44","9044","9049","10.1039/D0OB01697G","","","0.71073","MoKα","","0.0936","0.0692","","","0.1444","0.157","","","","","","1.055","","","","has coordinates","259436","2020-12-02","05:21:42",""
"7157743","10.7714","0.0001","11.3185","0.0001","13.3343","0.0001","66.429","0.001","80.647","0.001","75.079","0.001","1436.53","0.02","100","0.13","100","0.13","","","","","","","","4","P 1","P 1","1","","","","- C37 H29 N O4 -","- C37 H29 N O4 -","- C74 H58 N2 O8 -","2","2","","Yao, Chao; Wu, Piao; Huang, Yue; Chen, Yaoqi; Li, Lin; Li, Yue-Ming","Binaphthyl-based chiral ligands: design, synthesis and evaluation of their performance in enantioselective addition of diethylzinc to aromatic aldehydes.","Organic & biomolecular chemistry","2020","18","47","9712","9725","10.1039/d0ob02127j","","x-ray","1.54184","CuKα","","0.0266","0.0261","","","0.0655","0.0658","","","","","","1.059","","","","has coordinates","260816","2021-01-07","07:07:09",""
"7157744","12.9632","0.0001","12.9632","0.0001","16.2424","0.0002","90","","90","","120","","2363.77","0.04","294","","294","","","","","","","","","4","P 31","P 31","144","","","","- C36 H26 N2 O2 -","- C36 H26 N2 O2 -","- C108 H78 N6 O6 -","3","1","","Yao, Chao; Wu, Piao; Huang, Yue; Chen, Yaoqi; Li, Lin; Li, Yue-Ming","Binaphthyl-based chiral ligands: design, synthesis and evaluation of their performance in enantioselective addition of diethylzinc to aromatic aldehydes.","Organic & biomolecular chemistry","2020","18","47","9712","9725","10.1039/d0ob02127j","","x-ray","1.54184","CuKα","","0.0347","0.0329","","","0.0963","0.0987","","","","","","1.1","","","","has coordinates,has disorder","260816","2021-01-07","07:07:10",""
"7157745","9.3208","0.0003","15.9714","0.0005","19.0521","0.0006","90","","90","","90","","2836.21","0.16","133.15","","133.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N2 O2 -","- C36 H32 N2 O2 -","- C144 H128 N8 O8 -","4","1","","Yao, Chao; Wu, Piao; Huang, Yue; Chen, Yaoqi; Li, Lin; Li, Yue-Ming","Binaphthyl-based chiral ligands: design, synthesis and evaluation of their performance in enantioselective addition of diethylzinc to aromatic aldehydes.","Organic & biomolecular chemistry","2020","18","47","9712","9725","10.1039/d0ob02127j","","x-ray","0.71073","MoKα","","0.0537","0.0426","","","0.093","0.0993","","","","","","1.042","","","","has coordinates,has disorder","260816","2021-01-07","07:07:10",""
"7157746","3.8839","0.0006","8.7474","0.0009","22.667","0.0014","81.742","0.008","88.786","0.009","85.859","0.01","760.07","0.15","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 Br N2 O -","- C7 H7 Br N2 O -","- C28 H28 Br4 N8 O4 -","4","2","","Li, Yibiao; Huang, Shuo; Li, Jiaming; Li, Jian; Ji, Xiaoliang; Liu, Jiasheng; Chen, Lu; Peng, Shiyong; Zhang, Kun","Access to 2-pyridinylamide and imidazopyridine from 2-fluoropyridine and amidine hydrochloride","Organic & Biomolecular Chemistry","2020","18","45","9292","9299","10.1039/D0OB01904F","","x-ray","1.54184","CuKα","","0.0688","0.0627","","","0.1877","0.1915","","","","","","1.071","","","","has coordinates","259438","2020-12-02","05:23:45",""
"7157747","17.8252","0.0006","7.4804","0.0002","10.9523","0.0004","90","","105.159","0.004","90","","1409.56","0.08","123.15","","123.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","KUTYY-26bicycloPr","","- C12 H19 N5 O4 -","- C12 H19 N5 O4 -","- C48 H76 N20 O16 -","4","1","","Nakaike, Yumi; Yoshida, Yusuke; Yokoyama, Soichi; Ito, Akitaka; Nishiwaki, Nagatoshi","Synthesis and intramolecular ring transformation of N,N′-dialkylated 2,6,9-triazabicyclo[3.3.1]nonadienes","Organic & Biomolecular Chemistry","2020","18","44","9109","9116","10.1039/D0OB01950J","","x-ray","0.71073","MoKα","","0.0408","0.0343","","","0.0841","0.0871","","","","","","1.053","","","","has coordinates","259439","2020-12-02","05:24:17",""
"7157748","14.4032","0.0016","9.8582","0.0002","19.916","0.002","90","","140.02","0.02","90","","1817","0.8","93.15","","93.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","KUTYY-29bicycloBn","","- C20 H19 N5 O4 -","- C20 H19 N5 O4 -","- C80 H76 N20 O16 -","4","1","","Nakaike, Yumi; Yoshida, Yusuke; Yokoyama, Soichi; Ito, Akitaka; Nishiwaki, Nagatoshi","Synthesis and intramolecular ring transformation of N,N′-dialkylated 2,6,9-triazabicyclo[3.3.1]nonadienes","Organic & Biomolecular Chemistry","2020","18","44","9109","9116","10.1039/D0OB01950J","","x-ray","0.71073","MoKα","","0.0399","0.0351","","","0.086","0.0892","","","","","","1.057","","","","has coordinates","259439","2020-12-02","05:24:18",""
"7157749","13.738","0.013","15.885","0.013","7.706","0.006","90","","111.13","0.04","90","","1569","2","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H17 N O4 S -","- C18 H17 N O4 S -","- C72 H68 N4 O16 S4 -","4","1","","Ahn, Hye-In; Park, Jong-Un; Xuan, Zi; Kim, Ju Hyun","Pd-Catalyzed asymmetric [5 + 2] cycloaddition of vinylethylene carbonates and cyclic imines: access to N-fused 1,3-oxazepines.","Organic & biomolecular chemistry","2020","18","48","9826","9830","10.1039/d0ob02159h","","","0.71073","MoKα","","0.0361","0.0317","","","0.0732","0.0761","","","","","","1.044","","","","has coordinates","260821","2021-01-07","07:07:44",""
"7157750","4.4944","0.0006","5.4263","0.0007","12.2978","0.0016","97.735","0.011","94.192","0.011","92.2","0.011","296.04","0.07","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H13 Cl N4 O -","- C11 H13 Cl N4 O -","- C11 H13 Cl N4 O -","1","1","","Zhang, Yanhua; Lin, Yun; Hou, Qianqian; Liu, Xi; Pricl, Sabrina; Peng, Ling; Xia, Yi","Novel aryltriazole acyclic C-azanucleosides as anticancer candidates.","Organic & biomolecular chemistry","2020","18","47","9689","9699","10.1039/d0ob02164d","","","0.71073","MoKα","","0.0636","0.0426","","","0.0975","0.1135","","","","","","1.045","","","","has coordinates","260815","2021-01-07","07:06:34",""
"7157751","9.9981","0.0003","15.1043","0.0003","18.6398","0.0004","90","","92.173","0.002","90","","2812.85","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 Cl3 N2 O4 S -","- C28 H25 Cl3 N2 O4 S -","- C112 H100 Cl12 N8 O16 S4 -","4","1","","Wan, Shu-Hao; Li, Xuan-An; Liu, Yi-Hung; Liu, Shiuh-Tzung","<i>N</i>-Allylation <i>versus C</i>-allylation of intermediates from aza-Michael adducts of arylideneisoxazol-5-ones.","Organic & biomolecular chemistry","2020","18","46","9516","9525","10.1039/d0ob01998d","","","0.71073","MoKα","","0.082","0.0581","","","0.1445","0.1642","","","","","","1.01","","","","has coordinates,has disorder","260812","2021-01-07","07:06:06",""
"7157752","26.0749","0.0009","9.8982","0.0003","23.541","0.0008","90","","105.383","0.004","90","","5858.1","0.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H27 Cl3 N2 O4 S -","- C29 H27 Cl3 N2 O4 S -","- C232 H216 Cl24 N16 O32 S8 -","8","1","","Wan, Shu-Hao; Li, Xuan-An; Liu, Yi-Hung; Liu, Shiuh-Tzung","<i>N</i>-Allylation <i>versus C</i>-allylation of intermediates from aza-Michael adducts of arylideneisoxazol-5-ones.","Organic & biomolecular chemistry","2020","18","46","9516","9525","10.1039/d0ob01998d","","","0.71073","MoKα","","0.0986","0.0667","","","0.17","0.1971","","","","","","1.018","","","","has coordinates","260812","2021-01-07","07:06:06",""
"7157753","22.788","0.004","9.824","0.001","19.984","0.004","90","","123.49","0.03","90","","3731.1","1.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Cl N2 O3 -","- C21 H19 Cl N2 O3 -","- C168 H152 Cl8 N16 O24 -","8","1","","Wan, Shu-Hao; Li, Xuan-An; Liu, Yi-Hung; Liu, Shiuh-Tzung","<i>N</i>-Allylation <i>versus C</i>-allylation of intermediates from aza-Michael adducts of arylideneisoxazol-5-ones.","Organic & biomolecular chemistry","2020","18","46","9516","9525","10.1039/d0ob01998d","","","0.71073","MoKα","","0.0784","0.056","","","0.1419","0.1691","","","","","","1.07","","","","has coordinates","260812","2021-01-07","07:06:06",""
"7157759","11.042","0.0005","8.8933","0.0005","16.9598","0.0012","90","","95.377","0.005","90","","1658.12","0.17","295","","295","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H18 Cl N O6 -","- C16 H18 Cl N O6 -","- C64 H72 Cl4 N4 O24 -","4","1","","Bakthadoss, Manickam; Mushaf, Mohammad","Intramolecular [3 + 2] nitrone cycloaddition reaction: highly regio and diastereoselective synthesis of bicyclo[3.2.1]octane scaffolds.","Organic & biomolecular chemistry","2020","18","47","9653","9659","10.1039/d0ob01960g","","","0.71073","MoKα","","0.0899","0.0582","","","0.1493","0.1771","","","","","","1.0578","","","","has coordinates","260814","2021-01-07","07:06:29",""
"7157760","8.8725","0.0004","11.6847","0.0005","16.8773","0.0008","90","","102.266","0.002","90","","1709.77","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","1","","Shen, Bing-Xue; Min, Xiang-Ting; Hu, Yan-Cheng; Qian, Lei-Lei; Yang, Sa-Na; Wan, Boshun; Chen, Qing-An","Copper-catalyzed boroacylation of allenes to access tetrasubstituted vinylboronates","Organic & Biomolecular Chemistry","2020","18","45","9253","9260","10.1039/D0OB02008G","","","0.71073","MoKα","","0.0679","0.0607","","","0.1587","0.1658","","","","","","1.266","","","","has coordinates","259446","2020-12-02","05:28:01",""
"7157761","11.8524","0.0008","12.1284","0.0008","14.3084","0.001","90","","107.05","0.007","90","","1966.4","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 N2 -","- C27 H18 N2 -","- C108 H72 N8 -","4","1","","Huang, Jian; Fu, Yang; Deng, Zhihong; Chen, Wei; Song, Zhibin; Peng, Yiyuan","Rhodium-catalyzed oxidative annulation of 1H-indazoles with alkynes for the synthesis of indazolo[3,2-a]isoquinolines via C-H bond functionalization.","Organic & biomolecular chemistry","2020","18","48","9863","9872","10.1039/d0ob02060e","","","0.71073","MoKα","","0.0677","0.0488","","","0.1076","0.1168","","","","","","1.049","","","","has coordinates","260820","2021-01-07","07:07:39",""
"7157762","11.6835","0.0005","10.2297","0.0004","18.6723","0.0004","90","","101.857","0.002","90","","2184.07","0.14","109.4","0.2","109.4","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Br O5 -","- C26 H21 Br O5 -","- C104 H84 Br4 O20 -","4","1","","Wang, Ru-Bing; Ren, Xiao-Dong; He, Jie; Zhu, Shan-Shan; Xie, Hui-Ru; Su, Guo-Zhu; Ma, Shuang-Gang; Yu, Shi-Shan","Burchellin and its stereoisomers: total synthesis, structural elucidation and antiviral activity","Organic & Biomolecular Chemistry","2020","18","44","9081","9087","10.1039/D0OB01889A","","x-ray","1.54184","CuKα","","0.045","0.0396","","","0.1037","0.1079","","","","","","1.055","","","","has coordinates","259448","2020-12-02","05:29:03",""
"7157764","10.5825","0.0001","10.9351","0.0002","20.533","0.0003","90","","94.269","0.001","90","","2369.5","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N0.25 O4 -","- C28 H26 N2 O4 -","- C112 H104 N8 O16 -","4","1","","Yin, Xinru; Xu, Aimin; Hu, Jidi; Bao, Ming; Hu, Wenhao; Qian, Yu","A Rh(ii)/phosphoric acid co-catalyzed three-component reaction of diazo-ketones with alcohols and azonaphthalenes: access to indole derivatives via a formal [3 + 2]-cycloaddition.","Organic & biomolecular chemistry","2020","18","48","9805","9809","10.1039/d0ob02189j","","x-ray","1.54184","CuKα","","0.0477","0.0429","","","0.1235","0.1325","","","","","","0.783","","","","has coordinates","260825","2021-01-07","07:08:23",""
"7157765","26.6744","0.0001","26.6744","0.0001","18.1796","0.0001","90","","90","","90","","12935.2","0.1","100","0.1","100","0.1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C152 H108 Cl12 N8 O8 S -","- C152 H100 Cl12 N8 O8 S -","- C608 H400 Cl48 N32 O32 S4 -","4","0.25","","Yin, Xinru; Xu, Aimin; Hu, Jidi; Bao, Ming; Hu, Wenhao; Qian, Yu","A Rh(ii)/phosphoric acid co-catalyzed three-component reaction of diazo-ketones with alcohols and azonaphthalenes: access to indole derivatives via a formal [3 + 2]-cycloaddition.","Organic & biomolecular chemistry","2020","18","48","9805","9809","10.1039/d0ob02189j","","x-ray","1.54184","CuKα","","0.0779","0.077","","","0.1983","0.1989","","","","","","1.061","","","","has coordinates,has disorder","260825","2021-01-07","07:08:23",""
"7157766","14.0142","0.0004","21.038","0.0005","9.3503","0.0003","90","","90.176","0.002","90","","2756.74","0.14","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H21 Cl3 N2 O4 -","- C33 H21 Cl3 N2 O4 -","- C132 H84 Cl12 N8 O16 -","4","1","","Yin, Xinru; Xu, Aimin; Hu, Jidi; Bao, Ming; Hu, Wenhao; Qian, Yu","A Rh(ii)/phosphoric acid co-catalyzed three-component reaction of diazo-ketones with alcohols and azonaphthalenes: access to indole derivatives via a formal [3 + 2]-cycloaddition.","Organic & biomolecular chemistry","2020","18","48","9805","9809","10.1039/d0ob02189j","","x-ray","1.54184","CuKα","","0.0703","0.0542","","","0.1183","0.1261","","","","","","1.06","","","","has coordinates","260825","2021-01-07","07:08:23",""
"7157767","8.1923","0.0011","10.0872","0.0014","13.952","0.002","75.123","0.004","88.61","0.004","78.866","0.004","1092.9","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Br2 Cl N O3 -","- C22 H18 Br2 Cl N O3 -","- C44 H36 Br4 Cl2 N2 O6 -","2","1","","Luo, Naili; Liu, Jiamin; Wang, Shan; Wang, Cunde","DBU-promoted ring-opening reactions of multi-substituted donor‒acceptor cyclopropanes: access to functionalized chalcones with a quaternary carbon group","Organic & Biomolecular Chemistry","2020","18","45","9210","9215","10.1039/D0OB01895C","","","0.71073","MoKα","","0.1293","0.0565","","","0.1377","0.173","","","","","","1.028","","","","has coordinates","259451","2020-12-02","05:31:45",""
"7157768","15.6584","0.0017","7.2134","0.0007","19.131","0.002","90","","102.956","0.003","90","","2105.8","0.4","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Br Cl N O3 -","- C22 H19 Br Cl N O3 -","- C88 H76 Br4 Cl4 N4 O12 -","4","1","","Luo, Naili; Liu, Jiamin; Wang, Shan; Wang, Cunde","DBU-promoted ring-opening reactions of multi-substituted donor‒acceptor cyclopropanes: access to functionalized chalcones with a quaternary carbon group","Organic & Biomolecular Chemistry","2020","18","45","9210","9215","10.1039/D0OB01895C","","","0.71073","MoKα","","0.0864","0.0406","","","0.1014","0.1269","","","","","","1.053","","","","has coordinates","259451","2020-12-02","05:31:50",""
"7157769","10.129","0.006","15.539","0.009","15.252","0.009","90","","105.482","0.017","90","","2313","2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O4 -","- C25 H27 N O4 -","- C100 H108 N4 O16 -","4","1","","Luo, Naili; Liu, Jiamin; Wang, Shan; Wang, Cunde","DBU-promoted ring-opening reactions of multi-substituted donor‒acceptor cyclopropanes: access to functionalized chalcones with a quaternary carbon group","Organic & Biomolecular Chemistry","2020","18","45","9210","9215","10.1039/D0OB01895C","","","0.71073","MoKα","","0.1042","0.0683","","","0.1954","0.2262","","","","","","1.09","","","","has coordinates","259451","2020-12-02","05:31:50",""
"7157770","24.318","0.003","9.2383","0.0011","20.24","0.003","90","","96.433","0.004","90","","4518.4","1","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 Br Cl N O3 -","- C23 H21 Br Cl N O3 -","- C184 H168 Br8 Cl8 N8 O24 -","8","1","","Luo, Naili; Liu, Jiamin; Wang, Shan; Wang, Cunde","DBU-promoted ring-opening reactions of multi-substituted donor‒acceptor cyclopropanes: access to functionalized chalcones with a quaternary carbon group","Organic & Biomolecular Chemistry","2020","18","45","9210","9215","10.1039/D0OB01895C","","","0.71073","MoKα","","0.1794","0.0593","","","0.1245","0.1624","","","","","","1","","","","has coordinates","259451","2020-12-02","05:31:50",""
"7157771","9.3441","","13.5093","","16.7025","","98.858","","102.47","","91.92","","2029.23","","93","","93","","","","","","","","","7","P -1","-P 1","2","","Zn-3c","","- C39 H53 Br N4 O4 Si3 Zn -","- C39 H53 Br N4 O4 Si3 Zn -","- C78 H106 Br2 N8 O8 Si6 Zn2 -","2","1","","Hayashi, Satoshi; Takamatsu, Rina; Takeda, Shiori; Noji, Masahiro; Takanami, Toshikatsu","Central zinc metal-controlled regioselective meso-bromination of zincatedβ-silylporphyrins-rapid access to meso,β-dual-functionalized porphyrins.","Organic & biomolecular chemistry","2020","18","48","9791","9795","10.1039/d0ob02262d","","","1.54187","CuKα","","0.2093","0.1381","","","0.2792","0.3577","","","","","","1.046","","","","has coordinates","260826","2021-01-07","07:08:29",""
"7157772","41.0905","0.0009","12.1637","0.00011","21.1598","0.0005","90","","134.872","0.004","90","","7495","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C43 H39 N3 O8 -","- C43 H39 N3 O8 -","- C344 H312 N24 O64 -","8","1","","Li, Chen-Yi; Xiang, Min; Song, Xiang-Jia; Zou, Ying; Huang, Zhi-Cheng; Li, Xia; Tian, Fang; Wang, Li-Xin","A base-catalyzed domino reaction between isoindigos and α-alkylidene succinimides-convenient preparation of highly steric bispirooxindoles.","Organic & biomolecular chemistry","2020","18","46","9511","9515","10.1039/d0ob01858a","","x-ray","1.54184","CuKα","","0.0521","0.0458","","","0.1241","0.1307","","","","","","1.041","","","","has coordinates","260810","2021-01-07","07:05:41",""
"7157773","5.9286","0.0005","8.2863","0.0007","8.6201","0.0008","109.21","0.003","90.208","0.003","103.829","0.002","386.74","0.06","170","","170","","","","","","","","","5","P 1","P 1","1","","","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C17 H19 N O3 S -","1","1","","Yang, Shuang; Chen, Yuhang; Yuan, Zidan; Bu, Feiyu; Jiang, Cheng; Ding, Zhenhua","Divergent synthesis of oxazolidines and morpholines <i>via</i> PhI(OAc)<sub>2</sub>-mediated difunctionalization of alkenes.","Organic & biomolecular chemistry","2020","18","48","9873","9882","10.1039/d0ob01987a","","","0.71073","MoKα","","0.08","0.0527","","","0.0947","0.1105","","","","","","1.086","","","","has coordinates,has disorder","260822","2021-01-07","07:07:53",""
"7157780","16.216","0.0005","8.5645","0.0002","16.5649","0.0005","90","","117.934","0.001","90","","2032.52","0.1","150","","150","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C12 H7 N3 S -","- C12 H7 N3 S -","- C96 H56 N24 S8 -","8","4","","Yang, Zhen; He, Jing; Wei, Yueting; Li, Weiwei; Liu, Ping; Zhao, Jixing; Wei, Yu","NCS-promoted thiocyanation and selenocyanation of pyrrolo[1,2-a]quinoxalines","Organic & Biomolecular Chemistry","2020","18","44","9088","9094","10.1039/D0OB01818J","","","0.71073","MoKα","","0.0683","0.0451","","","0.0869","0.0997","","","","","","1.046","","","","has coordinates","259456","2020-12-02","05:34:38",""
"7157781","8.3229","0.0002","10.5201","0.0002","13.8336","0.0003","88.816","0.002","73.989","0.002","76.976","0.002","1133.19","0.05","99.9","0.9","99.9","0.9","","","","","","","","3","P -1","-P 1","2","","Trieffnol C","","- C26 H28 O8 -","- C26 H28 O8 -","- C52 H56 O16 -","2","1","","Liu, Hongxin; Chen, Shanchong; Zhang, Xiao; Dong, Chunmao; Chen, Yuchan; Liu, Zhaoming; Tan, Haibo; Zhang, Weimin","Structural elucidation, total synthesis, and cytotoxic activity of effphenol A","Organic & Biomolecular Chemistry","2020","18","44","9035","9038","10.1039/D0OB01985B","","x-ray","1.54184","CuKα","","0.0467","0.0404","","","0.1338","0.1391","","","","","","1.141","","","","has coordinates","259457","2020-12-02","05:34:57",""
"7157782","10.102","0.0017","10.4727","0.0016","15.726","0.003","104.702","0.005","94.205","0.005","109.963","0.005","1489","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 Br N O6 -","- C33 H32 Br N O6 -","- C66 H64 Br2 N2 O12 -","2","1","","Jaiswal, Manish K.; Singh, Bhuvnesh; De, Shreemoyee; Singh, Neetu; Singh, Ravi P.","Stereoselective formal [3 + 3] annulation of 3-alkylidene-2-oxindoles with β,γ-unsaturated α-keto esters.","Organic & biomolecular chemistry","2020","18","48","9852","9862","10.1039/d0ob02046j","","","0.71073","MoKα","","0.1338","0.0632","","","0.1723","0.2137","","","","","","0.935","","","","has coordinates","260819","2021-01-07","07:07:34",""
"7157784","4.2074","0.0004","12.9179","0.0009","27.18","0.002","90","","94.001","0.007","90","","1473.7","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N O4 -","- C19 H13 N O4 -","- C76 H52 N4 O16 -","4","1","","He, Xue-Wen; Zhou, Wei; Zhang, Min; Tian, Min-Yi; Wang, Hui-Juan; Tian, You-Ping; Liu, Xiong-Li","Transition-metal-free cascade benzannulations for synthesizing 2-hydroxybenzophenones","Organic & Biomolecular Chemistry","2020","18","44","9039","9043","10.1039/D0OB01894E","","x-ray","1.54184","CuKα","","0.0845","0.0771","","","0.2231","0.2291","","","","","","1.133","","","","has coordinates","259460","2020-12-02","05:36:08",""
"7157785","12.5309","0.0007","7.1686","0.0004","17.8685","0.001","90","","94.845","0.005","90","","1599.37","0.16","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Br N O4 -","- C19 H12 Br N O4 -","- C76 H48 Br4 N4 O16 -","4","1","","He, Xue-Wen; Zhou, Wei; Zhang, Min; Tian, Min-Yi; Wang, Hui-Juan; Tian, You-Ping; Liu, Xiong-Li","Transition-metal-free cascade benzannulations for synthesizing 2-hydroxybenzophenones","Organic & Biomolecular Chemistry","2020","18","44","9039","9043","10.1039/D0OB01894E","","x-ray","0.71073","MoKα","","0.0439","0.0328","","","0.0683","0.0725","","","","","","1.032","","","","has coordinates","259460","2020-12-02","05:36:09",""
"7157786","10.4475","0.0005","12.2806","0.0005","12.3903","0.0007","100.338","0.002","99.001","0.003","104.084","0.002","1483.14","0.13","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C40 H32 -","- C40 H32 -","- C80 H64 -","2","1","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.1036","0.049","","","0.1054","0.1347","","","","","","1.008","","","","has coordinates","259461","2020-12-02","05:37:32",""
"7157787","14.8169","0.0009","23.135","0.0015","13.2408","0.0007","90","","94.823","0.003","90","","4522.7","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br4 -","- C12 H12 Br4 -","- C144 H144 Br48 -","12","3","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.213","0.0739","","","0.1762","0.2393","","","","","","1.022","","","","has coordinates","259461","2020-12-02","05:37:33",""
"7157788","15.6392","0.0006","18.8539","0.0009","12.4008","0.0007","90","","127.729","0.001","90","","2892","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H38 O13 P4 -","- C20 H38 O13 P4 -","- C80 H152 O52 P16 -","4","0.5","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.0613","0.0411","","","0.0992","0.1168","","","","","","1.07","","","","has coordinates,has disorder","259461","2020-12-02","05:37:33",""
"7157789","6.9814","0.0006","11.397","0.001","11.8876","0.0011","62.708","0.004","82.487","0.005","73.52","0.005","806.04","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.1001","0.0642","","","0.1813","0.2275","","","","","","0.956","","","","has coordinates","259461","2020-12-02","05:37:33",""
"7157790","11.6744","0.0007","9.2737","0.0006","11.2747","0.0005","90","","114.21","0.002","90","","1113.3","0.11","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","0.5","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.0607","0.0435","","","0.0998","0.1112","","","","","","1.046","","","","has coordinates","259461","2020-12-02","05:37:33",""
"7157791","6.859","0.0005","17.0662","0.0011","19.6709","0.001","90","","90","","90","","2302.6","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 -","- C28 H30 N2 -","- C112 H120 N8 -","4","1","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.0893","0.0459","","","0.0917","0.1133","","","","","","0.979","","","","has coordinates","259461","2020-12-02","05:37:33",""
"7157792","23.8429","0.0011","14.4588","0.0007","12.002","0.0005","90","","116.455","0.001","90","","3704.3","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 N12 -","- C44 H36 N12 -","- C176 H144 N48 -","4","0.5","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.081","0.0494","","","0.117","0.1456","","","","","","1.081","","","","has coordinates","259461","2020-12-02","05:37:33",""
"7157793","11.0913","0.0001","11.0913","0.0001","92.9928","0.0005","90","","90","","120","","9907.06","0.14","123","2","123","2","","","","","","","","3","P 65","P 65","170","","","","- C35 H46 O13 -","- C35 H46 O13 -","- C420 H552 O156 -","12","2","","Kikuchi, Takashi; Akita, Keiko; Koike, Hiroki; In, Yasuko; Yamada, Takeshi; Tanaka, Reiko","Carapanins A–C: new limonoids from andiroba (Carapa guianensis) fruit oil","Organic & Biomolecular Chemistry","2020","18","45","9268","9274","10.1039/D0OB01872D","","","1.54184","CuKα","","0.0952","0.0948","","","0.2282","0.2284","","","","","","1.163","","","","has coordinates","296876","2024-12-16","17:34:43",""
"7157794","8.0223","0.0001","13.6842","0.0001","21.6959","0.0001","90","","90","","90","","2381.75","0.04","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 O7 -","- C26 H32 O7 -","- C104 H128 O28 -","4","1","","Kikuchi, Takashi; Akita, Keiko; Koike, Hiroki; In, Yasuko; Yamada, Takeshi; Tanaka, Reiko","Carapanins A‒C: new limonoids from andiroba (Carapa guianensis) fruit oil","Organic & Biomolecular Chemistry","2020","18","45","9268","9274","10.1039/D0OB01872D","","","1.54184","CuKα","","0.0335","0.033","","","0.0938","0.0941","","","","","","1.11","","","","has coordinates","259462","2020-12-02","05:38:34",""
"7157795","11.1364","0.0014","19.9122","0.0018","8.5927","0.0011","90","","107.324","0.013","90","","1819","0.4","293.5","0.4","293.5","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C72 H72 N16 O16 -","4","1","","Dagar, Anuradha; Kim, Ikyon","Expansion of diazepine heterocyclic chemical space <i>via</i> sequential Knoevenagel condensation-intramolecular aza-Wittig reaction: 2-acyl-4-aryl-5<i>H</i>-pyrrolo[1,2-<i>d</i>][1,4]diazepines.","Organic & biomolecular chemistry","2020","18","48","9836","9851","10.1039/d0ob02002h","","x-ray","0.71073","MoKα","","0.1698","0.0793","","","0.1673","0.2083","","","","","","1.075","","","","has coordinates","260824","2021-01-07","07:08:07",""
"7157796","10.3803","0.0006","7.9121","0.0004","19.5926","0.0011","90","","104.061","0.005","90","","1560.93","0.15","293.6","0.13","293.6","0.13","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","1","","Dagar, Anuradha; Kim, Ikyon","Expansion of diazepine heterocyclic chemical space <i>via</i> sequential Knoevenagel condensation-intramolecular aza-Wittig reaction: 2-acyl-4-aryl-5<i>H</i>-pyrrolo[1,2-<i>d</i>][1,4]diazepines.","Organic & biomolecular chemistry","2020","18","48","9836","9851","10.1039/d0ob02002h","","x-ray","0.71073","MoKα","","0.0506","0.0415","","","0.11","0.1179","","","","","","1.074","","","","has coordinates","260824","2021-01-07","07:08:11",""
"7157797","13.5978","0.0002","14.619","0.0002","13.9308","0.0002","90","","117.095","0.002","90","","2465.33","0.08","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 Cl F3 N O7 -","- C27 H21 Cl F3 N O7 -","- C108 H84 Cl4 F12 N4 O28 -","4","1","","Penjarla, Thirupathi Reddy; Kundarapu, Maheshwar; Rangan, Krishnan; Bhattacharya, Anupam","Iodine assisted synthesis of CF<sub>3</sub> appended spirodihydrofuryl/cyclopropyl oxindoles by changing the active methylene sources.","Organic & biomolecular chemistry","2020","18","47","9623","9631","10.1039/d0ob01903h","","x-ray","1.54184","CuKα","","0.0584","0.0542","","","0.1559","0.1594","","","","","","1.101","","","","has coordinates","260817","2021-01-07","07:07:17",""
"7157798","8.8532","0.0001","13.7373","0.0002","11.5286","0.0002","90","","107.761","0.002","90","","1335.27","0.04","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H26 F3 N3 O6 -","- C28 H26 F3 N3 O6 -","- C56 H52 F6 N6 O12 -","2","1","","Penjarla, Thirupathi Reddy; Kundarapu, Maheshwar; Rangan, Krishnan; Bhattacharya, Anupam","Iodine assisted synthesis of CF<sub>3</sub> appended spirodihydrofuryl/cyclopropyl oxindoles by changing the active methylene sources.","Organic & biomolecular chemistry","2020","18","47","9623","9631","10.1039/d0ob01903h","","x-ray","1.54184","CuKα","","0.0341","0.033","","","0.0885","0.0893","","","","","","1.095","","","","has coordinates","260817","2021-01-07","07:07:20",""
"7157799","8.0525","0.0005","15.8806","0.001","15.2504","0.001","90","","94.189","0.002","90","","1945","0.2","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O2 S2 -","- C22 H21 N O2 S2 -","- C88 H84 N4 O8 S8 -","4","1","","Wu, Jia-Yu; Liao, Wei-Jr; Lin, Xiu-Yi; Liang, Chien-Fu","A facile access to <i>N</i>-sulfonylthioimidates and their use for the transformation to 3,4-dihydroquinazolines.","Organic & biomolecular chemistry","2020","18","43","8881","8885","10.1039/d0ob01963a","","","0.71076","MoKα","","0.0382","0.0333","","","0.0869","0.1018","","","","","","1.126","","","","has coordinates","259563","2020-12-05","14:39:24",""
"7157800","8.0991","0.0003","10.0866","0.0003","10.5705","0.0003","75.779","0.001","69.449","0.001","67.461","0.001","740.63","0.04","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C40 H28 Cl2 N2 O2 -","2","1","","Zheng, Jing; He, Xiaojie; Xu, Hong; Liu, Hua; Yang, Weiran","A formal [3 + 2] annulation reaction of propargyl sulfonium compounds and <i>N</i>-ylides: access to pyrrolo[2,1-<i>a</i>]quinolines, pyrrolo[2,1-<i>a</i>]phthalazines and indolizines.","Organic & biomolecular chemistry","2020","18","43","8867","8875","10.1039/d0ob01739f","","","1.34139","GaKα","","0.0418","0.0372","","","0.099","0.1025","","","","","","1.035","","","","has coordinates","259564","2020-12-05","14:39:43",""
"7157801","11.3742","0.0004","18.028","0.0007","7.5166","0.0003","90","","106.736","0.002","90","","1476.02","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cl2 O4 -","- C15 H12 Cl2 O4 -","- C60 H48 Cl8 O16 -","4","1","","Xie, Zhen-Zhen; Deng, Zhi-Xiong; Zheng, Yu; Chen, Yan-Shan; Xiao, Jun-An; Chen, Kai; Xiang, Hao-Yue; Yang, Hua","A phosphine-mediated domino sequence of salicylaldehyde with but-3-yn-2-one: rapid access to chromanone.","Organic & biomolecular chemistry","2020","18","43","8916","8920","10.1039/d0ob01588a","","","0.71073","MoKα","","0.0527","0.0451","","","0.1268","0.1359","","","","","","1.052","","","","has coordinates","298328","2025-03-07","16:31:40",""
"7157802","8.1722","0.0004","10.5252","0.0005","13.3654","0.0006","80.905","0.001","79.401","0.001","76.274","0.001","1089.82","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Br N2 O3 S -","- C24 H19 Br N2 O3 S -","- C48 H38 Br2 N4 O6 S2 -","2","1","","Feng, Jiajun; He, Tiantong; Xie, Yuxing; Yu, Yang; Baell, Jonathan B.; Huang, Fei","I<sub>2</sub>-Promoted [4 + 2] cycloaddition of <i>in situ</i> generated azoalkenes with enaminones: facile and efficient synthesis of 1,4-dihydropyridazines and pyridazines.","Organic & biomolecular chemistry","2020","18","46","9483","9493","10.1039/d0ob01958e","","","0.71073","MoKα","","0.0352","0.03","","","0.0784","0.0819","","","","","","1.018","","","","has coordinates","260813","2021-01-07","07:06:22",""
"7234791","24.9223","0.0004","9.0196","0.0002","8.8869","0.0001","90","","93.248","0.002","90","","1994.47","0.06","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Br4 O6 -","- C14 H14 Br4 O6 -","- C56 H56 Br16 O24 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","1.54184","CuKα","","0.0182","0.0166","","","0.0428","0.0437","","","","","","1.095","","","","has coordinates,has disorder","257436","2020-10-21","18:00:00",""
"7234792","25.174","0.005","9.1572","0.0018","8.9838","0.0017","90","","93.25","0.007","90","","2067.6","0.7","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Br4 O6 -","- C14 H14 Br4 O6 -","- C56 H56 Br16 O24 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","0.71073","MoKα","","0.0488","0.0306","","","0.0598","0.0655","","","","","","1.02","","","","has coordinates,has disorder","257436","2020-10-21","18:00:00",""
"7234793","7.9617","0.0001","9.9312","0.0001","23.5837","0.0003","90","","90","","90","","1864.75","0.04","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Br4 O8 -","- C12 H14 Br4 O8 -","- C48 H56 Br16 O32 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","","1.54184","CuKα","","0.0234","0.0188","","","0.0489","0.052","","","","","","1.059","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234794","9.24933","0.00017","25.7601","0.0006","8.66218","0.00018","90","","90","","90","","2063.88","0.07","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H14 Br4 O6 S2 -","- C12 H14 Br4 O6 S2 -","- C48 H56 Br16 O24 S8 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","","1.54184","CuKα","","0.0467","0.0453","","","0.1087","0.1093","","","","","","1.121","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234795","9.1624","0.0005","23.482","0.0012","8.993","0.0004","90","","90","","90","","1934.86","0.17","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H14 Br4 O6 -","- C12 H14 Br4 O6 -","- C48 H56 Br16 O24 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","0.71073","MoKα","","0.0344","0.0275","","","0.0688","0.073","","","","","","1.037","","","","has coordinates,has disorder","257436","2020-10-21","18:00:00",""
"7234796","8.134","0.002","9.964","0.003","23.849","0.006","90","","90","","90","","1932.9","0.9","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Br4 O8 -","- C12 H14 Br4 O8 -","- C48 H56 Br16 O32 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","0.71073","MoKα","","0.0549","0.0417","","","0.1026","0.1122","","","","","","1.037","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234797","9.27849","0.00019","23.5754","0.0005","8.6023","0.0002","90","","90","","90","","1881.7","0.07","100.02","0.1","100.02","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H14 Br4 O6 -","- C12 H14 Br4 O6 -","- C48 H56 Br16 O24 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","","1.54184","CuKα","","0.0316","0.0294","","","0.079","0.0809","","","","","","1.057","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234798","9.2133","0.0002","25.7139","0.0006","8.9323","0.0002","90","","90","","90","","2116.15","0.08","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H14 Br4 O6 S2 -","- C12 H14 Br4 O6 S2 -","- C48 H56 Br16 O24 S8 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","0.71073","MoKα","","0.065","0.0446","","","0.1124","0.1229","","","","","","1.098","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234842","20.536","0.006","12.539","0.002","7.7893","0.0014","90","","91.11","0.02","90","","2005.4","0.8","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Ag2 N10 O10 -","- C44 H36 Ag2 N10 O10 -","- C88 H72 Ag4 N20 O20 -","2","0.25","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","","1.5418","CuKα","","0.048","0.0459","","","0.1205","0.1235","","","","","","1.053","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234843","37.8693","0.0014","7.4572","0.0004","17.8043","0.0008","90","","90","","90","","5027.9","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C50 H42 Ag2 F6 N8 O9 -","- C50.004 H40 Ag2 F6.006 N8 O9.004 -","- C200.016 H160 Ag8 F24.024 N32 O36.016 -","4","0.5","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0682","0.0447","","","0.1117","0.1286","","","","","","1.035","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234844","22.6683","0.0006","11.9842","0.0002","17.9923","0.0005","90","","111.403","0.003","90","","4550.7","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Ag F3 N4 O4 -","- C24 H18 Ag F3 N4 O4 -","- C192 H144 Ag8 F24 N32 O32 -","8","1","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0253","0.0238","","","0.0624","0.0638","","","","","","1.032","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234845","7.2584","0.0002","14.4126","0.0003","21.3749","0.0005","90","","91.472","0.002","90","","2235.34","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Ag N5 O5 -","- C24 H22 Ag N5 O5 -","- C96 H88 Ag4 N20 O20 -","4","1","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0385","0.0312","","","0.0766","0.0806","","","","","","1.033","","","","has coordinates","257435","2020-10-21","18:00:00",""
"7234846","9.2321","0.0003","11.438","0.0004","11.853","0.0004","96.574","0.003","91.848","0.002","104.559","0.003","1201.06","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 Ag2 Cl2 N8 O12 -","- C48 H44 Ag2 Cl2.024 N8 O12.096 -","- C48 H44 Ag2 Cl2.024 N8 O12.096 -","1","0.5","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0267","0.0244","","","0.0645","0.0665","","","","","","1.027","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234847","7.3244","0.0006","8.2198","0.0007","19.557","0.001","87.931","0.005","86.794","0.006","88.681","0.007","1174.56","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 Ag N5 O6 -","- C23 H22 Ag N5 O6 -","- C46 H44 Ag2 N10 O12 -","2","1","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","","1.5418","CuKα","","0.0784","0.0629","","","0.1642","0.1824","","","","","","1.043","","","","has coordinates","257435","2020-10-21","18:00:00",""
"7234848","8.7388","0.0003","11.7437","0.0004","15.173","0.0004","89.58","0.003","74.494","0.003","80.378","0.003","1478.21","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 Ag F3 N4 O8 -","- C26 H30 Ag F3 N4 O8 -","- C52 H60 Ag2 F6 N8 O16 -","2","1","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0604","0.0486","","","0.1386","0.1495","","","","","","1.052","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234849","17.657","0.0005","21.7188","0.0005","27.9006","0.0005","97.688","0.002","100.408","0.002","98.551","0.002","10263.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C320 H460 Gd6 N24 Na2 O218 S32 -","- C320 H280 Gd6 N24 Na2 O218 S32 -","- C320 H280 Gd6 N24 Na2 O218 S32 -","1","0.5","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","1.54178","CuKα","","0.1263","0.1047","","","0.241","0.2561","","","","","","1.401","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234850","13.8053","0.0003","13.8709","0.0003","16.1942","0.0004","65.439","0.002","83.047","0.002","87.191","0.002","2799.73","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H134 Ce2 Cl N4 Na O63 S8 -","- C78 H108 Ce2 Cl N4 Na O63 S8 -","- C78 H108 Ce2 Cl N4 Na O63 S8 -","1","0.5","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","0.71073","MoKα","","0.0532","0.0434","","","0.1076","0.1112","","","","","","1.007","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234851","13.9722","0.0003","17.1363","0.0007","44.1982","0.0012","97.328","0.003","93.974","0.002","100.205","0.003","10284.1","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C160 H224 Ce2 Cl N12 Na O104 S16 -","- C160 H180 Ce2 Cl N12 Na O104 S16 -","- C320 H360 Ce4 Cl2 N24 Na2 O208 S32 -","2","1","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","1.54178","CuKα","","0.1649","0.1084","","","0.2528","0.2942","","","","","","1.246","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234852","15.0362","0.0002","17.4614","0.0003","21.0544","0.0003","100.755","0.001","95.9","0.001","98.544","0.001","5321.84","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H126 Er2 N4 O63.5 S8 -","- C74 H78 Er2 N4 O63.4991 S8 -","- C148 H156 Er4 N8 O126.998 S16 -","2","1","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","0.71073","MoKα","","0.0865","0.0752","","","0.1866","0.1949","","","","","","1.003","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234853","15.1413","0.0003","21.5216","0.0004","25.0716","0.0004","105.589","0.001","96.342","0.001","109.239","0.002","7249.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H162 Ce1.33 N4 O63 P2 S8 -","- C120 H118 Ce1.3333 N4 O63 P2 S8 -","- C240 H236 Ce2.6666 N8 O126 P4 S16 -","2","1","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","1.54178","CuKα","","0.1028","0.0855","","","0.2439","0.2616","","","","","","1.015","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234854","16.9848","0.0003","17.2326","0.0003","23.7694","0.0004","98.35","0.001","103.459","0.001","116.03","0.002","5831.1","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C200 H286 Cl Er2 N16 Na O102 S16 -","- C200 H284 Cl Er2 N16 Na O102 S16 -","- C200 H284 Cl Er2 N16 Na O102 S16 -","1","0.5","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","0.71073","MoKα","","0.066","0.053","","","0.1289","0.1371","","","","","","1.07","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234855","14.9999","0.0003","17.5274","0.0004","21.1206","0.0004","100.434","0.002","96.481","0.002","98.621","0.002","5343","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C144 H258 Ce4 N8 O133 S16 -","- C144 H180 Ce4 N8 O133 S16 -","- C144 H180 Ce4 N8 O133 S16 -","1","0.5","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","0.71073","MoKα","","0.1536","0.1066","","","0.2585","0.2932","","","","","","1.004","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234856","22.4311","0.0003","36.5505","0.0004","43.3752","0.0008","90","","104.433","0.002","90","","34439.6","0.9","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C576 H812 Cl Gd10 N24 Na O358 P6 S48 -","- C576 H588 Cl Gd10 N24 Na O358 P6 S48 -","- C1152 H1176 Cl2 Gd20 N48 Na2 O716 P12 S96 -","2","0.5","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","1.54178","CuKα","","0.1219","0.0975","","","0.2571","0.2824","","","","","","1.008","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234857","15.2241","0.0002","17.7001","0.0003","20.5479","0.0003","100.785","0.001","96.463","0.001","97.675","0.001","5336.4","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H126 Gd2 N4 O65 S8 -","- C72 H126 Gd2 N4 O65 S8 -","- C144 H252 Gd4 N8 O130 S16 -","2","1","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","0.71073","MoKα","","0.046","0.0354","","","0.0813","0.0861","","","","","","1","","","","has coordinates","257434","2020-10-21","18:00:00",""
"7234893","14.234","0.0013","19.8446","0.0019","15.452","0.0016","90","","106.326","0.003","90","","4188.7","0.7","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C100 H52 Cu4 N32 -","- C100 H52 Cu4 N32 -","- C200 H104 Cu8 N64 -","2","0.5","","Ishikawa, Ryuta; Ueno, Shunya; Iguchi, Hiroaki; Breedlove, Brian K.; Yamashita, Masahiro; Kawata, Satoshi","Supramolecular self-assembled coordination architecture composed of a doubly bis(2-pyridyl)pyrazolate bridged dinuclear CuII complex and 7,7′,8,8′,-tetracyano-p-quinodimethanide radicals","CrystEngComm","2020","22","2","159","163","10.1039/C9CE01580A","","","0.71075","MoKα","","0.0688","0.0433","","","0.1126","0.1321","","","","","","1.043","","","","has coordinates","257462","2020-10-21","18:00:00",""
"7234964","5.8783","0.0005","10.3023","0.001","10.5662","0.001","71.108","0.011","78.415","0.011","74.975","0.011","579.92","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 Cd N3 S2 -","- C8 H7 Cd N3 S2 -","- C16 H14 Cd2 N6 S4 -","2","1","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","","","0.71073","MoKα","","0.043","0.0359","","","0.0869","0.0906","","","","","","1.003","","","","has coordinates,has disorder","257461","2020-10-21","18:00:00",""
"7234965","20.2576","0.0008","9.3191","0.0003","19.2831","0.0006","90","","116.135","0.002","90","","3268.1","0.2","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Fe N4 S2 -","- C14 H14 Fe N4 S2 -","- C112 H112 Fe8 N32 S16 -","8","1","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0098","","","","","","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7234966","10.2833","0.0006","12.3146","0.0006","7.686","0.0003","90","","103.823","0.004","90","","945.13","0.08","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Fe N4 O2 S2 -","- C14 H14 Fe N4 O2 S2 -","- C28 H28 Fe2 N8 O4 S4 -","2","0.5","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0218","","","","","","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7234967","5.83966","0.00012","17.8924","0.0004","8.63648","0.00018","90","","108.751","0.0015","90","","854.49","0.03","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cd N4 S2 -","- C14 H14 Cd N4 S2 -","- C28 H28 Cd2 N8 S4 -","2","0.5","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.0172","","","","","","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7234968","5.6544","0.0004","10.3052","0.0008","10.4498","0.0007","70.083","0.005","78.969","0.007","75.518","0.004","550.52","0.07","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 Fe N3 S2 -","- C8 H4 Fe N3 S2 -","- C16 H8 Fe2 N6 S4 -","2","1","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0146","","","","","","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7234969","27.693","0.003","27.693","0.003","11.1885","0.001","90","","90","","120","","7430.9","1.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H28 Fe N6 S2 -","- C26 H28 Fe N6 S2 -","- C234 H252 Fe9 N54 S18 -","9","0.5","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","","","0.71073","MoKα","","0.1073","0.0676","","","0.1526","0.171","","","","","","1.04","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7234970","11.2219","0.0019","17.954","0.002","9.0559","0.0014","90","","112.725","0.007","90","","1682.9","0.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Fe N4 S2 -","- C14 H14 Fe N4 S2 -","- C56 H56 Fe4 N16 S8 -","4","1","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0101","","","","","","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7235010","9.3667","0.0007","9.5064","0.0007","15.1076","0.0011","84.047","0.002","75.365","0.002","79.476","0.002","1277.35","0.16","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H28 Cu N4 O4 Pb S2 -","- C23 H28 Cu N4 O4 Pb S2 -","- C46 H56 Cu2 N8 O8 Pb2 S4 -","2","1","","Mirdya, Saikat; Banerjee, Snehasis; Chattopadhyay, Shouvik","An insight into the non-covalent Pb⋯S and S⋯S interactions in the solid-state structure of a hemidirected lead(ii) complex","CrystEngComm","2020","22","2","237","247","10.1039/C9CE01548E","","","0.71073","MoKα","","0.0287","0.0258","","","0.0638","0.0652","","","","","","1.076","","","","has coordinates","257463","2020-10-21","18:00:00",""
"7235108","16.537","0.004","10.001","0.004","12.295","0.003","90","","99.96","0.03","90","","2002.8","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N16 O16 -","- C8 H10 N16 O16 -","- C32 H40 N64 O64 -","4","1","","Zhang, Menghua; Tan, Yingxin; Zhao, Xu; Zhang, Jianhu; Huang, Shiliang; Zhai, Zhaohui; Liu, Yu; Yang, Zhijian","Seeking a novel energetic co-crystal strategy through the interfacial self-assembly of CL-20 and HMX nanocrystals","CrystEngComm","2020","22","1","61","67","10.1039/C9CE01447K","","","1.54184","CuKα","","0.3876","0.1668","","","0.391","0.5023","","","","","","1.003","","","","has coordinates,has disorder","257437","2020-10-21","18:00:00",""
"7235142","33.621","0.017","38.411","0.013","40.234","0.015","90","","102.56","0.04","90","","50715","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C313 H317 N24 O149.5 S16 -","- C313 H317 N24 O149.5 S16 -","- C1252 H1268 N96 O598 S64 -","4","2","","Alex, Jimi M.; McArdle, Patrick; Crowley, Peter B.","Supramolecular stacking in a high Z′ calix[8]arene‒porphyrin assembly","CrystEngComm","2020","22","1","14","17","10.1039/C9CE01646E","","","0.82656","Synchrotron","","0.2282","0.1837","","","0.4178","0.4651","","","","","","1.627","","","","has coordinates","257433","2020-10-21","18:00:00",""
"7235143","33.621","0.017","38.411","0.013","40.234","0.015","90","","102.56","0.04","90","","50715","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C313 H317 N24 O77 S16 -","- C313 H317 N24 O77 S16 -","- C1252 H1268 N96 O308 S64 -","4","2","","Alex, Jimi M.; McArdle, Patrick; Crowley, Peter B.","Supramolecular stacking in a high Z′ calix[8]arene‒porphyrin assembly","CrystEngComm","2020","22","1","14","17","10.1039/C9CE01646E","","","0.82656","Synchrotron","","0.1191","0.0831","","","0.2284","0.2815","","","","","","0.94","","","","has coordinates","257433","2020-10-21","18:00:00",""
"7235172","7.1235","0.0002","11.1935","0.0004","11.6744","0.0004","90","","97.716","0.001","90","","922.45","0.05","173.15","","173.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H18 Cl4 Cu N4 O -","- C14 H18 Cl4 Cu N4 O -","- C28 H36 Cl8 Cu2 N8 O2 -","2","1","","Jiang, Chunli; Luo, Qianqian; Fu, Hanmei; Lin, Hechun; Luo, Chunhua; Wang, Jianlu; Meng, Xiangjian; Peng, Hui; Duan, Chun-Gang; Chu, Junhao","Ferroelectricity and antiferromagnetism in organic‒inorganic hybrid (1,4-bis(imidazol-1-ylmethyl)benzene)CuCl4·H2O","CrystEngComm","2020","22","3","587","592","10.1039/C9CE01607D","","","1.54178","CuKα","","0.0269","0.0268","","","0.0677","0.0678","","","","","","1.121","","","","has coordinates","257487","2020-10-21","18:00:00",""
"7235203","6.7858","0.0002","8.7123","0.0002","18.1329","0.0004","99.099","0.002","91.152","0.002","97.907","0.002","1047.5","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H15 N5 -","- C28 H15 N5 -","- C56 H30 N10 -","2","1","","Mandal, Arkalekha; Choudhury, Anwesha; Kumar, Rahul; Iyer, Parameswar Krishnan; Mal, Prasenjit","Exploring the semiconductor properties of a charge transfer cocrystal of 1-aminopyrene and TCNQ","CrystEngComm","2020","22","4","720","727","10.1039/C9CE01507H","","","1.54184","CuKα","","0.1352","0.1199","","","0.2771","0.2819","","","","","","1.021","","","","has coordinates","257457","2020-10-21","18:00:00",""
"7235204","17.0495","0.001","9.9661","0.0008","18.6572","0.0017","90","","115.397","0.006","90","","2863.8","0.4","200","2","200","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 I2 N4 Ru -","- C20 H36 I2 N4 Ru -","- C80 H144 I8 N16 Ru4 -","4","0.5","","Dortéz, Silvia; Fernández-Palacio, Francisco; Damián, Jesús; Gaiteiro, Carlos; Ramos, Javier; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Halogen bonding (HaB) in E‒I⋯X‒M systems: influence of the halogen donor on the HaB nature","CrystEngComm","2020","22","5","870","877","10.1039/C9CE01449G","","x-ray","0.71073","MoKα","","0.0755","0.0398","","","0.0884","0.1056","","","","","","0.874","","","","has coordinates","257445","2020-10-21","18:00:00",""
"7235205","9.19","0.0005","9.434","0.002","13.143","0.003","88.54","0.02","69.663","0.012","86.654","0.016","1066.6","0.3","200","2","200","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C28 H40 Cl6 F4 I2 N4 Ru -","- C28 H40 Cl6 F4 I2 N4 Ru -","- C28 H40 Cl6 F4 I2 N4 Ru -","1","0.5","","Dortéz, Silvia; Fernández-Palacio, Francisco; Damián, Jesús; Gaiteiro, Carlos; Ramos, Javier; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Halogen bonding (HaB) in E‒I⋯X‒M systems: influence of the halogen donor on the HaB nature","CrystEngComm","2020","22","5","870","877","10.1039/C9CE01449G","","x-ray","0.71073","MoKα","","0.0737","0.036","","","0.0779","0.0914","","","","","","0.916","","","","has coordinates","257445","2020-10-21","18:00:00",""
"7235206","9.3125","0.0004","9.3992","0.0004","12.7543","0.0005","71.759","0.001","81.883","0.002","80.6","0.002","1041.2","0.08","200","2","200","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C28 H40 Br2 Cl4 F4 I2 N4 Ru -","- C28 H40 Br2 Cl4 F4 I2 N4 Ru -","- C28 H40 Br2 Cl4 F4 I2 N4 Ru -","1","0.5","","Dortéz, Silvia; Fernández-Palacio, Francisco; Damián, Jesús; Gaiteiro, Carlos; Ramos, Javier; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Halogen bonding (HaB) in E‒I⋯X‒M systems: influence of the halogen donor on the HaB nature","CrystEngComm","2020","22","5","870","877","10.1039/C9CE01449G","","x-ray","0.71073","MoKα","","0.0817","0.068","","","0.2074","0.2633","","","","","","1.138","","","","has coordinates","257445","2020-10-21","18:00:00",""
"7235207","12.2003","0.0004","17.9075","0.0007","7.4507","0.0003","90","","99.935","0.001","90","","1603.4","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 I6 O4 Pt -","- C22 H14 F6 I6 O4 Pt -","- C44 H28 F12 I12 O8 Pt2 -","2","0.5","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","","0.71073","MoKα","","0.0352","0.0286","","","0.0576","0.0596","","","","","","1.26","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235208","12.1215","0.0004","17.8414","0.0006","7.3462","0.0002","90","","99.739","0.001","90","","1565.83","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 I6 O4 Pt -","- C22 H14 F6 I6 O4 Pt -","- C44 H28 F12 I12 O8 Pt2 -","2","0.5","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","","0.71073","MoKα","","0.0249","0.0219","","","0.046","0.047","","","","","","1.105","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235209","4.3401","0.0001","16.4262","0.0005","30.145","0.0011","90","","93.037","0.003","90","","2146.06","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 F3 I3 O4 Pd -","- C16 H14 F3 I3 O4 Pd -","- C64 H56 F12 I12 O16 Pd4 -","4","1","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","x-ray","0.71073","MoKα","","0.0388","0.0344","","","0.0618","0.0633","","","","","","1.176","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235210","12.2282","0.0005","17.9253","0.0007","7.4916","0.0003","90","","99.941","0.001","90","","1617.46","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 I6 O4 Pt -","- C22 H14 F6 I6 O4 Pt -","- C44 H28 F12 I12 O8 Pt2 -","2","0.5","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","","0.71073","MoKα","","0.0403","0.0314","","","0.0723","0.0769","","","","","","1.055","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235211","12.1462","0.0004","17.866","0.0006","7.3776","0.0002","90","","99.848","0.001","90","","1577.38","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 I6 O4 Pt -","- C22 H14 F6 I6 O4 Pt -","- C44 H28 F12 I12 O8 Pt2 -","2","0.5","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","","0.71073","MoKα","","0.0262","0.0228","","","0.0477","0.0489","","","","","","1.143","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235212","12.1714","0.0004","17.8866","0.0006","7.4115","0.0003","90","","99.909","0.001","90","","1589.45","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 I6 O4 Pt -","- C22 H14 F6 I6 O4 Pt -","- C44 H28 F12 I12 O8 Pt2 -","2","0.5","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","","0.71073","MoKα","","0.0325","0.0269","","","0.0544","0.0561","","","","","","1.211","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235213","7.6304","0.0005","17.6827","0.0013","17.7371","0.0011","90","","90","","90","","2393.2","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Co N6 O12 -","- C20 H20 Co N6 O12 -","- C80 H80 Co4 N24 O48 -","4","0.5","","Mohan, Midhun; Maris, Thierry; Duong, Adam","Building coordination polymers using dipyridone ligands","CrystEngComm","2020","22","3","441","447","10.1039/C9CE01725A","","x-ray","1.34139","GaKα","","0.1301","0.073","","","0.1376","0.1607","","","","","","1.111","","","","has coordinates","257499","2020-10-21","18:00:00",""
"7235214","8.9683","0.0015","3.8091","0.0007","14.749","0.003","90","","91.476","0.013","90","","503.68","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C20 H24 N4 O8 -","2","0.5","","Mohan, Midhun; Maris, Thierry; Duong, Adam","Building coordination polymers using dipyridone ligands","CrystEngComm","2020","22","3","441","447","10.1039/C9CE01725A","","x-ray","1.54178","CuKα","","0.1054","0.0696","","","0.2046","0.2481","","","","","","1.101","","","","has coordinates","257499","2020-10-21","18:00:00",""
"7235215","6.9152","0.0003","18.3958","0.0008","7.2525","0.0003","90","","115.199","0.002","90","","834.8","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","1","","Mohan, Midhun; Maris, Thierry; Duong, Adam","Building coordination polymers using dipyridone ligands","CrystEngComm","2020","22","3","441","447","10.1039/C9CE01725A","","x-ray","1.34139","GaKα","","0.0518","0.045","","","0.1215","0.1289","","","","","","1.056","","","","has coordinates","257499","2020-10-21","18:00:00",""
"7235220","9.18848","0.00015","18.3718","0.0002","19.6091","0.00018","98.7879","0.0009","92.6442","0.001","97.7172","0.0013","3234.19","0.07","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C80 H78 O14 -","- C80 H78 O14 -","- C160 H156 O28 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","1.54187","CuKα","","0.0872","0.0802","","","0.2322","0.2417","","","","","","1.029","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235221","11.97202","0.00019","12.277","0.00018","12.64035","0.00017","90","","90","","90","","1857.88","0.05","93","","93","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C28 H17 N O2 -","- C28 H17 N O2 -","- C112 H68 N4 O8 -","4","0.5","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","1.54184","CuKα","","0.048","0.0453","","","0.127","0.1307","","","","","","1.05","","","","has coordinates,has disorder","257488","2020-10-21","18:00:00",""
"7235222","10.2344","0.0008","33.477","0.002","11.5077","0.001","90","","93.536","0.007","90","","3935.2","0.5","93","","93","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C42 H42 N4 O11 -","- C42 H42 N4 O11 -","- C168 H168 N16 O44 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","0.71075","MoKα","","0.2056","0.1064","","","0.2472","0.2994","","","","","","0.995","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235223","14.3333","0.0005","11.8876","0.0004","16.9672","0.0006","90","","96.463","0.003","90","","2872.64","0.17","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 N2 O4 -","- C40 H26 N2 O4 -","- C160 H104 N8 O16 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","0.71073","MoKα","","0.0957","0.053","","","0.1046","0.1176","","","","","","1.024","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235224","33.4734","0.001","10.5712","0.0004","11.1961","0.0004","90","","90","","90","","3961.8","0.2","93","","93","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C42 H43 N4 O11 -","- C42 H43 N4 O11 -","- C168 H172 N16 O44 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","0.71075","MoKα","","0.0872","0.056","","","0.1358","0.1536","","","","","","1.04","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235225","10.3818","0.0005","10.9676","0.0002","18.7727","0.0005","95.299","0.002","98.714","0.003","91.279","0.003","2102.39","0.12","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C44.8 H39.6 N3.6 O8.2 -","- C44.8 H39.6 N3.6 O8.2 -","- C89.6 H79.2 N7.2 O16.4 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","1.54184","CuKα","","0.1811","0.1379","","","0.3957","0.4352","","","","","","1.586","","","","has coordinates,has disorder","257488","2020-10-21","18:00:00",""
"7235226","12.1391","0.0002","12.7561","0.00012","38.9751","0.0004","90","","90","","90","","6035.2","0.13","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H26 N2 O4 -","- C42 H26 N2 O4 -","- C336 H208 N16 O32 -","8","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","1.54187","CuKα","","0.099","0.0954","","","0.2882","0.2908","","","","","","1.146","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235227","30.1293","0.0019","30.1293","0.0019","8.9281","0.0006","90","","90","","120","","7018.9","0.8","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27 H24 Cl4 Cu N2 O5 -","- C24 H16 Cu N2 O4 -","- C216 H144 Cu9 N18 O36 -","9","0.5","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.0369","0.0339","","","0.1079","0.1094","","","","","","1.106","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235228","8.7775","0.0005","6.8216","0.0005","16.1117","0.0009","90","","105.151","0.002","90","","931.18","0.1","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Co N2 O4 -","- C24 H16 Co N2 O4 -","- C48 H32 Co2 N4 O8 -","2","0.5","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.0405","0.0382","","","0.1103","0.1118","","","","","","1.124","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235229","15.516","0.002","17.11","0.002","9.6566","0.0014","90","","95.233","0.003","90","","2552.9","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cl2 N2 O5 Zn -","- C24 H16 N2 O4 Zn -","- C96 H64 N8 O16 Zn4 -","4","0.5","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.0349","0.0305","","","0.0763","0.0802","","","","","","0.975","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235230","12.4544","0.0014","4.099","0.0005","23.844","0.003","90","","103.822","0.002","90","","1182","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cu I N O2 -","- C12 H9 Cu I N O2 -","- C48 H36 Cu4 I4 N4 O8 -","4","1","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.032","0.0273","","","0.069","0.0802","","","","","","1.15","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235231","31.087","0.008","31.087","0.008","8.954","0.002","90","","90","","120","","7494","3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27 H26 Cl2 Co N2 O6 -","- C24 H16 Co N2 O4 -","- C216 H144 Co9 N18 O36 -","9","0.5","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.1058","0.0538","","","0.1281","0.1465","","","","","","0.944","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235232","10.75","0.003","13.933","0.005","14.348","0.005","73.692","0.012","74.143","0.012","68.269","0.012","1881.1","1.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H12 O10 Zn2 -","- C29 H12 O10 Zn2 -","- C58 H24 O20 Zn4 -","2","1","","Moreau, Florian; Audebrand, Nathalie; Poriel, Cyril","9,9′-Spirobifluorene based zinc coordination polymers: a study on linker geometry and topology","CrystEngComm","2020","22","2","293","303","10.1039/C9CE01567A","","","0.71073","MoKα","","0.1189","0.0653","","","0.1655","0.1807","","","","","","0.864","","","","has coordinates","257465","2020-10-21","18:00:00",""
"7235233","18.5664","0.0012","10.3393","0.0006","23.224","0.0013","90","","119.006","0.002","90","","3899","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H34 N2 O10 Zn2 -","- C39 H34 N2 O10 Zn2 -","- C156 H136 N8 O40 Zn8 -","4","0.5","","Moreau, Florian; Audebrand, Nathalie; Poriel, Cyril","9,9′-Spirobifluorene based zinc coordination polymers: a study on linker geometry and topology","CrystEngComm","2020","22","2","293","303","10.1039/C9CE01567A","","","0.71073","MoKα","","0.1148","0.0826","","","0.2587","0.2831","","","","","","1.101","","","","has coordinates","257465","2020-10-21","18:00:00",""
"7235234","13.36","0.004","17.2","0.004","14.314","0.004","90","","94.69","0.01","90","","3278.2","1.5","150","2","150","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C26.5 H14 O5 Zn -","- C26.5 H14 O5 Zn -","- C106 H56 O20 Zn4 -","4","1","","Moreau, Florian; Audebrand, Nathalie; Poriel, Cyril","9,9′-Spirobifluorene based zinc coordination polymers: a study on linker geometry and topology","CrystEngComm","2020","22","2","293","303","10.1039/C9CE01567A","","","0.71069","MoKα","","0.0763","0.0566","","","0.1568","0.1682","","","","","","0.951","","","","has coordinates","257465","2020-10-21","18:00:00",""
"7235235","44.21","0.002","44.21","0.002","44.21","0.002","90","","90","","90","","86410","7","150","2","150","2","","","","","","","","4","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C53.33 H27.08 O9.33 Zn2 -","- C53 H28 O9.33333 Zn2 -","- C2544 H1344 O448 Zn96 -","48","0.25","","Moreau, Florian; Audebrand, Nathalie; Poriel, Cyril","9,9′-Spirobifluorene based zinc coordination polymers: a study on linker geometry and topology","CrystEngComm","2020","22","2","293","303","10.1039/C9CE01567A","","","0.71073","MoKα","","0.1059","0.0546","","","0.1699","0.19","","","","","","1.039","","","","has coordinates","257465","2020-10-21","18:00:00",""
"7235236","12.012","0.003","9.465","0.003","15.801","0.005","90","","91.447","0.005","90","","1795.9","0.9","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","1","","Zhao, Hong-Ping; Liang, Gui-Chao; Nie, Shu-Min; Lu, Xiuqiang; Pan, Cheng-Xue; Zhong, Xin-Xian; Su, Gui-Fa; Mo, Dong-Liang","Metal-free graphene oxide-catalyzed aza-semipinacol rearrangement to prepare 2-(indol-2-yl)phenols and benzofuro[3,2-b]indolines containing quaternary carbon centers","Green Chemistry","2020","22","2","404","410","10.1039/C9GC03345A","","","0.71073","MoKα","","0.075","0.0448","","","0.116","0.1352","","","","","","1.032","","","","has coordinates","257595","2020-10-21","18:00:00",""
"7235247","11.241","0.003","5.7323","0.0017","17.696","0.005","90","","97.712","0.005","90","","1130","0.6","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","2","","Pampana, V. Kishore Kumar; Sagadevan, Arunachalam; Ragupathi, Ayyakkannu; Hwang, Kuo Chu","Visible light-promoted copper catalyzed regioselective acetamidation of terminal alkynes by arylamines","Green Chemistry","2020","22","4","1164","1170","10.1039/C9GC03608C","","","0.71073","MoKα","","0.047","0.0397","","","0.0945","0.0981","","","","","","1.059","","","","has coordinates","257588","2020-10-21","18:00:00",""
"7235248","12.2746","0.0008","9.2499","0.0006","14.751","0.0009","90","","100.612","0.002","90","","1646.17","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Pampana, V. Kishore Kumar; Sagadevan, Arunachalam; Ragupathi, Ayyakkannu; Hwang, Kuo Chu","Visible light-promoted copper catalyzed regioselective acetamidation of terminal alkynes by arylamines","Green Chemistry","2020","22","4","1164","1170","10.1039/C9GC03608C","","","0.71073","MoKα","","0.0781","0.0592","","","0.1182","0.1274","","","","","","1.029","","","","has coordinates","257588","2020-10-21","18:00:00",""
"7235249","14.568","0.002","5.0757","0.0008","16.496","0.003","90","","102.818","0.005","90","","1189.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O2 S -","- C13 H13 N O2 S -","- C52 H52 N4 O8 S4 -","4","1","","Pampana, V. Kishore Kumar; Sagadevan, Arunachalam; Ragupathi, Ayyakkannu; Hwang, Kuo Chu","Visible light-promoted copper catalyzed regioselective acetamidation of terminal alkynes by arylamines","Green Chemistry","2020","22","4","1164","1170","10.1039/C9GC03608C","","","0.71073","MoKα","","0.0944","0.0441","","","0.0762","0.0901","","","","","","1.011","","","","has coordinates,has disorder","257588","2020-10-21","18:00:00",""
"7235256","8.6559","0.0005","15.6308","0.0009","16.2787","0.0008","90","","90","","90","","2202.5","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C96 H56 Br12 N12 O5 -","- C96 H56 Br12 N12 O5 -","- C96 H56 Br12 N12 O5 -","1","0.25","","Gohain, Shivanee Borpatra; Basumatary, Monika; Boruah, Purna K.; Das, Manash R.; Thakur, Ashim Jyoti","Nano Au/Pd-catalysed ‘on-water’ synthesis of C3‒C3′ diaryl-oxindole scaffolds via N2-selective dearomatization of indole","Green Chemistry","2020","22","1","170","179","10.1039/C9GC02370D","","","0.71073","MoKα","","0.1928","0.0596","","","0.1108","0.1538","","","","","","0.94","","","","has coordinates","257573","2020-10-21","18:00:00",""
"7235257","14.8779","0.0007","25.5062","0.0007","15.6343","0.0005","90","","104.511","0.002","90","","5743.6","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H46 Br2 F6 Ir N4 P -","- C52 H46 Br2 F6 Ir N4 P -","- C208 H184 Br8 F24 Ir4 N16 P4 -","4","0.5","","Xu, Zi-Yue; Luo, Yi; Zhang, Dan-Wei; Wang, Hui; Sun, Xing-Wen; Li, Zhan-Ting","Iridium complex-linked porous organic polymers for recyclable, broad-scope photocatalysis of organic transformations","Green Chemistry","2020","22","1","136","143","10.1039/C9GC03688A","","","1.34138","GaKα","","0.0526","0.0485","","","0.1336","0.1375","","","","","","1.07","","","","has coordinates","257576","2020-10-21","18:00:00",""
"7235258","11.3884","0.0014","14.5156","0.0018","14.8459","0.0017","90","","105.062","0.005","90","","2369.9","0.5","173","2","173","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C40 H38 Br2 Cl0.5 F9 Ir N4 P1.5 -","- C40 H38 Br2 Cl0.5 F9 Ir N4 P1.5 -","- C80 H76 Br4 Cl F18 Ir2 N8 P3 -","2","0.5","","Xu, Zi-Yue; Luo, Yi; Zhang, Dan-Wei; Wang, Hui; Sun, Xing-Wen; Li, Zhan-Ting","Iridium complex-linked porous organic polymers for recyclable, broad-scope photocatalysis of organic transformations","Green Chemistry","2020","22","1","136","143","10.1039/C9GC03688A","","","1.34138","GaKα","","0.0762","0.0623","","","0.1864","0.2044","","","","","","1.018","","","","has coordinates,has disorder","257576","2020-10-21","18:00:00",""
"7235259","12.1698","0.0005","14.9926","0.0006","16.2329","0.0007","78.079","0.001","89.769","0.002","77.466","0.002","2826.3","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H56 F6 Ir N4 P -","- C64 H56 F6 Ir N4 P -","- C128 H112 F12 Ir2 N8 P2 -","2","1","","Xu, Zi-Yue; Luo, Yi; Zhang, Dan-Wei; Wang, Hui; Sun, Xing-Wen; Li, Zhan-Ting","Iridium complex-linked porous organic polymers for recyclable, broad-scope photocatalysis of organic transformations","Green Chemistry","2020","22","1","136","143","10.1039/C9GC03688A","","","1.34138","GaKα","","0.0447","0.0375","","","0.092","0.0955","","","","","","1.122","","","","has coordinates,has disorder","257576","2020-10-21","18:00:00",""
"7236906","9.5818","0.0003","9.2966","0.0003","29.1439","0.0009","90","","96.654","0.002","90","","2578.6","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 N4 O -","- C30 H30 N4 O -","- C120 H120 N16 O4 -","4","1","","Mathivanan, Moorthy; Tharmalingam, Balamurugan; Lin, Chia-Her; Pandiyan, Baskaran Vijaya; Thiagarajan, Viruthachalam; Murugesapandian, Balasubramanian","ESIPT-active multi-color aggregation-induced emission features of triphenylamine‒salicylaldehyde-based unsymmetrical azine family","CrystEngComm","2020","22","2","213","228","10.1039/C9CE01490J","","","0.71073","MoKα","","0.1542","0.0707","","","0.1926","0.2428","","","","","","1.059","","","","has coordinates","257467","2020-10-21","18:00:00",""
"7236907","9.7349","0.0002","26.4673","0.0004","9.6839","0.0002","90","","110.107","0.001","90","","2343.05","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 N3 O -","- C30 H23 N3 O -","- C120 H92 N12 O4 -","4","1","","Mathivanan, Moorthy; Tharmalingam, Balamurugan; Lin, Chia-Her; Pandiyan, Baskaran Vijaya; Thiagarajan, Viruthachalam; Murugesapandian, Balasubramanian","ESIPT-active multi-color aggregation-induced emission features of triphenylamine‒salicylaldehyde-based unsymmetrical azine family","CrystEngComm","2020","22","2","213","228","10.1039/C9CE01490J","","","0.71073","MoKα","","0.1827","0.048","","","0.096","0.1255","","","","","","0.777","","","","has coordinates","257467","2020-10-21","18:00:00",""
"7236908","9.0523","0.0002","9.4796","0.0003","15.3386","0.0004","101.215","0.002","96.659","0.002","117.266","0.002","1115.46","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N3 O2 -","- C27 H23 N3 O2 -","- C54 H46 N6 O4 -","2","1","","Mathivanan, Moorthy; Tharmalingam, Balamurugan; Lin, Chia-Her; Pandiyan, Baskaran Vijaya; Thiagarajan, Viruthachalam; Murugesapandian, Balasubramanian","ESIPT-active multi-color aggregation-induced emission features of triphenylamine‒salicylaldehyde-based unsymmetrical azine family","CrystEngComm","2020","22","2","213","228","10.1039/C9CE01490J","","","0.71073","MoKα","","0.1179","0.049","","","0.111","0.1356","","","","","","1.015","","","","has coordinates","257467","2020-10-21","18:00:00",""
"7236909","7.4345","0.0006","7.7857","0.0007","18.3205","0.0016","81.464","0.005","87.016","0.005","86.135","0.005","1045.36","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N3 O -","- C26 H21 N3 O -","- C52 H42 N6 O2 -","2","1","","Mathivanan, Moorthy; Tharmalingam, Balamurugan; Lin, Chia-Her; Pandiyan, Baskaran Vijaya; Thiagarajan, Viruthachalam; Murugesapandian, Balasubramanian","ESIPT-active multi-color aggregation-induced emission features of triphenylamine‒salicylaldehyde-based unsymmetrical azine family","CrystEngComm","2020","22","2","213","228","10.1039/C9CE01490J","","","0.71073","MoKα","","0.087","0.0459","","","0.1293","0.1549","","","","","","0.999","","","","has coordinates","257467","2020-10-21","18:00:00",""
"7236911","23.2883","0.0016","23.2883","0.0016","14.1304","0.0011","90","","90","","120","","6636.8","0.8","298","2","298","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H60 N4 O50 Pr4 -","- C60 H40 N4 O40 Pr4 -","- C180 H120 N12 O120 Pr12 -","3","0.5","","Gao, Wei; Huang, Hong; Zhou, Ai-Mei; Wei, Han; Liu, Jie-Ping; Zhang, Xiu-Mei","Three 3D LnIII-MOFs based on a nitro-functionalized biphenyltricarboxylate ligand: syntheses, structures, and magnetic properties","CrystEngComm","2020","22","2","267","274","10.1039/C9CE01245A","","","0.71073","MoKα","","0.0489","0.0369","","","0.0888","0.0923","","","","","","1.021","","","","has coordinates","257468","2020-10-21","18:00:00",""
"7236912","13.649","0.006","14.334","0.006","7.994","0.003","90","","92.233","0.016","90","","1562.8","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 Gd N O9.5 -","- C16 H9 Gd N O9.5 -","- C64 H36 Gd4 N4 O38 -","4","1","","Gao, Wei; Huang, Hong; Zhou, Ai-Mei; Wei, Han; Liu, Jie-Ping; Zhang, Xiu-Mei","Three 3D LnIII-MOFs based on a nitro-functionalized biphenyltricarboxylate ligand: syntheses, structures, and magnetic properties","CrystEngComm","2020","22","2","267","274","10.1039/C9CE01245A","","","0.71073","MoKα","","0.0238","0.0206","","","0.0435","0.0445","","","","","","1.205","","","","has coordinates,has disorder","257468","2020-10-21","18:00:00",""
"7236913","9.4885","0.0011","9.5857","0.001","12.4176","0.0014","93.605","0.004","108.083","0.004","112.343","0.003","971.8","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 Dy N O11 -","- C15 H11 Dy N O11 -","- C30 H22 Dy2 N2 O22 -","2","1","","Gao, Wei; Huang, Hong; Zhou, Ai-Mei; Wei, Han; Liu, Jie-Ping; Zhang, Xiu-Mei","Three 3D LnIII-MOFs based on a nitro-functionalized biphenyltricarboxylate ligand: syntheses, structures, and magnetic properties","CrystEngComm","2020","22","2","267","274","10.1039/C9CE01245A","","","0.71073","MoKα","","0.0368","0.0342","","","0.0954","0.0974","","","","","","1.044","","","","has coordinates,has disorder","257468","2020-10-21","18:00:00",""
"7238040","7.538","0.0001","14.0607","0.0002","12.3766","0.0001","90","","103.32","0.0005","90","","1276.5","0.03","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F3 N2 O2 -","- C14 H11 F3 N2 O2 -","- C56 H44 F12 N8 O8 -","4","1","","Liu, Hao; Yang, Xing; Wu, Shanyu; Zhang, Mingtao; Parkin, Sean; Cao, Shuang; Li, Tonglei; Yu, Faquan; Long, Sihui","An investigation of the polymorphism of a potent nonsteroidal anti-inflammatory drug flunixin","CrystEngComm","2020","22","3","448","457","10.1039/C9CE01619H","","","0.71073","MoKα","","0.0453","0.0391","","","0.0929","0.0971","","","","","","1.057","","","","has coordinates","257494","2020-10-21","18:00:00",""
"7238041","7.68546","0.00013","14.1282","0.0002","12.49862","0.00017","90","","102.16","0.0015","90","","1326.67","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F3 N2 O2 -","- C14 H11 F3 N2 O2 -","- C56 H44 F12 N8 O8 -","4","1","","Liu, Hao; Yang, Xing; Wu, Shanyu; Zhang, Mingtao; Parkin, Sean; Cao, Shuang; Li, Tonglei; Yu, Faquan; Long, Sihui","An investigation of the polymorphism of a potent nonsteroidal anti-inflammatory drug flunixin","CrystEngComm","2020","22","3","448","457","10.1039/C9CE01619H","","x-ray","1.54184","CuKα","","0.0446","0.0393","","","0.1012","0.1074","","","","","","1.034","","","","has coordinates","257494","2020-10-21","18:00:00",""
"7238042","14.3343","0.0012","25.123","0.002","18.1924","0.0014","90","","90","","90","","6551.5","0.9","296.15","","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C51 H33 N5 O12 Zn3 -","- C51 H33 N5 O12 Zn3 -","- C204 H132 N20 O48 Zn12 -","4","0.5","","Yan, Peng; Yang, Jucai; Hao, Xiangying; Chen, Zhisheng; Shen, Guanhua; Zhao, Yanhua; Ma, Deyun; Zhu, Jiaxin","A microporous zinc‒organic framework with Lewis basic pyridyl sites for highly selective C2H2/CH4 and C2H2/CO2 gas separation","CrystEngComm","2020","22","2","275","282","10.1039/C9CE01481K","","","0.71073","MoKα","","0.1159","0.0519","","","0.0984","0.1145","","","","","","0.8","","","","has coordinates,has disorder","257466","2020-10-21","18:00:00",""
"7238043","5.21733","0.00004","9.11328","0.00007","14.35413","0.00011","90","","90.7911","0.0003","90","","682.431","0.009","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid","Ectoine","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","2","","Hützler, Wilhelm Maximilian; Mossou, Estelle; Vollrath, Ronnald; Kohagen, Miriam; El Ghrissi, Imadine; Grininger, Martin; Zaccai, Giuseppe; Smiatek, Jens; Oesterhelt, Dieter","Complex transitions between dihydrate and anhydrate forms of ectoine ‒ unexpected behavior of a highly hygroscopic compatible solute in the solid state","CrystEngComm","2020","22","2","169","172","10.1039/C9CE01599J","","","1.54178","CuKα","","0.0405","0.0405","","","0.112","0.112","","","","","","1.17","","","","has coordinates","257471","2020-10-21","18:00:00",""
"7238044","7.594","0.0003","8.6265","0.0005","13.3619","0.0006","90","","90","","90","","875.33","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid","Ectoine dihydrate","","- C6 H14 N2 O4 -","- C6 H14 N2 O4 -","- C24 H56 N8 O16 -","4","1","","Hützler, Wilhelm Maximilian; Mossou, Estelle; Vollrath, Ronnald; Kohagen, Miriam; El Ghrissi, Imadine; Grininger, Martin; Zaccai, Giuseppe; Smiatek, Jens; Oesterhelt, Dieter","Complex transitions between dihydrate and anhydrate forms of ectoine ‒ unexpected behavior of a highly hygroscopic compatible solute in the solid state","CrystEngComm","2020","22","2","169","172","10.1039/C9CE01599J","","","1.54178","CuKα","","0.0278","0.0278","","","0.0751","0.0751","","","","","","1.104","","","","has coordinates","257471","2020-10-21","18:00:00",""
"7238045","7.594","0.0003","8.6265","0.0005","13.3619","0.0006","90","","90","","90","","875.33","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ectoine","1,4,5,6-tetrahydro-2-methyl-4-pyrimidine carboxylic acid","","- C6 H14 N2 O4 -","- C6 H14 N2 O4 -","- C24 H56 N8 O16 -","4","1","","Hützler, Wilhelm Maximilian; Mossou, Estelle; Vollrath, Ronnald; Kohagen, Miriam; El Ghrissi, Imadine; Grininger, Martin; Zaccai, Giuseppe; Smiatek, Jens; Oesterhelt, Dieter","Complex transitions between dihydrate and anhydrate forms of ectoine ‒ unexpected behavior of a highly hygroscopic compatible solute in the solid state","CrystEngComm","2020","22","2","169","172","10.1039/C9CE01599J","","","1.1698","neutrons","","0.0327","0.0317","","","0.08","0.0806","","","","","","1.146","","","","has coordinates,has disorder","257471","2020-10-21","18:00:00",""
"7238046","6.4219","0.0012","10.741","0.002","13.507","0.003","90","","95.887","0.003","90","","926.8","0.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C36 H48 N8 O4 -","4","1","","Kong, Lingbin; Huang, Rong; He, Haodan; Fan, Yunxiang; Lin, Jun; Yan, Shengjiao","Multi-component solvent-free cascade reaction of 2-cyanoacetamides: regioselective synthesis of pyridin-2-ones bearing quaternary centers","Green Chemistry","2020","22","1","256","264","10.1039/C9GC03692J","","","0.71073","MoKα","","0.1226","0.05","","","0.1048","0.1279","","","","","","0.9","","","","has coordinates","257574","2020-10-21","18:00:00",""
"7238047","7.3319","0.0011","11.5409","0.0016","16.169","0.002","90","","99.147","0.002","90","","1350.8","0.3","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C60 H64 N8 O4 -","4","1","","Kong, Lingbin; Huang, Rong; He, Haodan; Fan, Yunxiang; Lin, Jun; Yan, Shengjiao","Multi-component solvent-free cascade reaction of 2-cyanoacetamides: regioselective synthesis of pyridin-2-ones bearing quaternary centers","Green Chemistry","2020","22","1","256","264","10.1039/C9GC03692J","","","0.71073","MoKα","","0.0799","0.0473","","","0.1176","0.1354","","","","","","1.02","","","","has coordinates","257574","2020-10-21","18:00:00",""
"7239596","24.7106","0.0015","24.7106","0.0015","23.2547","0.0014","90","","90","","90","","14199.6","1.5","100","","100","","","","","","","","","7","I -4","I -4","82","","","","- C13.68 H13.68 As4 Ce24 Na2 O214 W36 -","- C13.68 H13.68 As4 Ce24 Na2 O294 W36 -","- C27.36 H27.36 As8 Ce48 Na4 O588 W72 -","2","0.25","","Dufaye, Maxime; Duval, Sylvain; Stoclet, Gregory; Loiseau, Thierry","Influence of pH on CeIV-[AsIIIW9O33]9− association for the formation of hexanuclear cerium(iv) oxo-hydroxo-clusters stabilized by trivacant polyanions","CrystEngComm","2020","22","2","371","380","10.1039/C9CE01663E","","x-ray","0.71073","MoKα","","0.042","0.0326","","","0.067","0.0712","","","","","","1.019","","","","has coordinates,has disorder","287753","2023-11-23","09:34:45",""
"7239597","18.6179","0.0013","19.6067","0.0015","27.947","0.002","99.61","0.004","105.262","0.004","108.594","0.004","8970.2","1.2","99.99","","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- As6 Ce12 Na18 O341 W58 -","- As6 Ce12 Na18 O341 W58 -","- As6 Ce12 Na18 O341 W58 -","1","0.5","","Dufaye, Maxime; Duval, Sylvain; Stoclet, Gregory; Loiseau, Thierry","Influence of pH on CeIV-[AsIIIW9O33]9− association for the formation of hexanuclear cerium(iv) oxo-hydroxo-clusters stabilized by trivacant polyanions","CrystEngComm","2020","22","2","371","380","10.1039/C9CE01663E","","x-ray","0.71073","MoKα","","0.1258","0.059","","","0.1233","0.1454","","","","","","1.015","","","","has coordinates","257464","2020-10-21","18:00:00",""
"7239598","11.9097","0.0007","15.2185","0.0008","21.8082","0.0013","90.152","0.003","101.47","0.003","101.06","0.003","3798.4","0.4","100.01","","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C9 H9 As Ce6 Na6 O85.75 W9 -","- C9 H9 As Ce6 Na6 O85.75 W9 -","- C18 H18 As2 Ce12 Na12 O171.5 W18 -","2","1","","Dufaye, Maxime; Duval, Sylvain; Stoclet, Gregory; Loiseau, Thierry","Influence of pH on CeIV-[AsIIIW9O33]9− association for the formation of hexanuclear cerium(iv) oxo-hydroxo-clusters stabilized by trivacant polyanions","CrystEngComm","2020","22","2","371","380","10.1039/C9CE01663E","","x-ray","0.71073","MoKα","","0.1101","0.0709","","","0.1719","0.1991","","","","","","1.056","","","","has coordinates","257464","2020-10-21","18:00:00",""
"7239599","18.4264","0.0012","19.3634","0.0012","26.7239","0.0015","105.118","0.003","98.139","0.003","112.226","0.002","8207.4","0.9","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C3 H3 As3 Ce6 Na15 O156 W27 -","- C3 H3 As3 Ce6 Na15 O156 W27 -","- C6 H6 As6 Ce12 Na30 O312 W54 -","2","1","","Dufaye, Maxime; Duval, Sylvain; Stoclet, Gregory; Loiseau, Thierry","Influence of pH on CeIV-[AsIIIW9O33]9− association for the formation of hexanuclear cerium(iv) oxo-hydroxo-clusters stabilized by trivacant polyanions","CrystEngComm","2020","22","2","371","380","10.1039/C9CE01663E","","x-ray","0.71073","MoKα","","0.1086","0.0649","","","0.1513","0.1838","","","","","","1.054","","","","has coordinates","257464","2020-10-21","18:00:00",""
"7239602","51.7838","0.0017","28.8494","0.0013","6.281","0.0002","90","","90","","90","","9383.4","0.6","291","2","291","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H28 Co N6 O4 -","- C48 H28 Co N6 O4 -","- C384 H224 Co8 N48 O32 -","8","0.5","","Li, Bin; Yan, Qing-Qing; Xu, Zhi-Qiang; Xu, Ying-Bo; Yong, Guo-Ping","Tuning the interpenetration of metal‒organic frameworks through changing ligand functionality: effect on gas adsorption properties","CrystEngComm","2020","22","3","506","514","10.1039/C9CE01309A","","","1.54184","CuKα","","0.0623","0.0611","","","0.1817","0.1834","","","","","","1.061","","","","has coordinates","257498","2020-10-21","18:00:00",""
"7239603","51.726","0.005","29.1071","0.0011","6.2678","0.0003","90","","90","","90","","9436.8","1.1","291","2","291","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H28 N6 O4 Zn -","- C48 H28 N6 O4 Zn -","- C384 H224 N48 O32 Zn8 -","8","0.5","","Li, Bin; Yan, Qing-Qing; Xu, Zhi-Qiang; Xu, Ying-Bo; Yong, Guo-Ping","Tuning the interpenetration of metal‒organic frameworks through changing ligand functionality: effect on gas adsorption properties","CrystEngComm","2020","22","3","506","514","10.1039/C9CE01309A","","","1.54184","CuKα","","0.0776","0.0766","","","0.2262","0.2299","","","","","","1.085","","","","has coordinates","257498","2020-10-21","18:00:00",""
"7239604","7.8353","0.0002","29.6326","0.0009","24.7561","0.0009","90","","91.232","0.003","90","","5746.6","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H30 Co2 N4 O9 -","- C48 H30 Co2 N4 O9 -","- C192 H120 Co8 N16 O36 -","4","1","","Li, Bin; Yan, Qing-Qing; Xu, Zhi-Qiang; Xu, Ying-Bo; Yong, Guo-Ping","Tuning the interpenetration of metal‒organic frameworks through changing ligand functionality: effect on gas adsorption properties","CrystEngComm","2020","22","3","506","514","10.1039/C9CE01309A","","","1.54184","CuKα","","0.078","0.0573","","","0.1517","0.1688","","","","","","0.94","","","","has coordinates","257498","2020-10-21","18:00:00",""
"7239605","22.7662","0.0011","12.1453","0.0005","24.9282","0.0011","90","","98.796","0.002","90","","6811.6","0.5","298","","294.9","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Cu2 N8 O14 V5 -","- C20 H30 Cu2 N8 O14 V5 -","- C160 H240 Cu16 N64 O112 V40 -","8","1","","Tian, Hong-Rui; Liu, Yi-Wei; Zhang, Zhong; Liu, Shu-Mei; Dang, Tian-Yi; Li, Xiao-Hui; Sun, Xiu-Wei; Lu, Ying; Liu, Shu-Xia","A multicentre synergistic polyoxometalate-based metal‒organic framework for one-step selective oxidative cleavage of β-O-4 lignin model compounds","Green Chemistry","2020","22","1","248","255","10.1039/C9GC03626A","","","0.71073","MoKα","","0.06","0.0455","","","0.0971","0.1034","","","","","","1.095","","","","has coordinates,has disorder","257575","2020-10-21","18:00:00",""
"7239625","16.538","0.005","8.3933","0.0015","7.205","0.0018","90","","101.82","0.03","90","","978.9","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,7-bis(4-fluorophenyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone","","- C26 H12 F2 N2 O4 -","- C26 H12 F2 N2 O4 -","- C52 H24 F4 N4 O8 -","2","0.5","","Komissarova, Ekaterina A.; Dominskiy, Dmitry I.; Zhulanov, Vladimir E.; Abashev, George G.; Siddiqui, Afzal; Singh, Surya P.; Sosorev, Andrey Yu; Paraschuk, Dmitry Yu","Unraveling the unusual effect of fluorination on crystal packing in an organic semiconductor.","Physical chemistry chemical physics : PCCP","2020","22","3","1665","1673","10.1039/c9cp05455c","","","0.71073","MoKα","","0.0897","0.0606","","","0.1658","0.1963","","","","","","1.054","","","","has coordinates","247835","2020-10-21","18:00:00",""
"7239626","10.4782","0.0006","15.198","0.0009","18.5232","0.0009","90","","114.6","0.003","90","","2682","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 N2 O9 Sm -","- C28 H16 N2 O9 Sm -","- C112 H64 N8 O36 Sm4 -","4","1","","Xu, Qi-Wei; Dong, Gaoyun; Cui, Ruifang; Li, Xia","3D lanthanide-coordination frameworks constructed by a ternary mixed-ligand: crystal structure, luminescence and luminescence sensing","CrystEngComm","2020","22","4","740","750","10.1039/C9CE01779H","","","0.71073","MoKα","","0.0805","0.0358","","","0.0551","0.0581","","","","","","1.039","","","","has coordinates","257459","2020-10-21","18:00:00",""
"7239627","10.415","0.0004","15.1696","0.0006","18.3689","0.0005","90","","114.362","0.002","90","","2643.72","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Dy N2 O9 -","- C28 H16 Dy N2 O9 -","- C112 H64 Dy4 N8 O36 -","4","1","","Xu, Qi-Wei; Dong, Gaoyun; Cui, Ruifang; Li, Xia","3D lanthanide-coordination frameworks constructed by a ternary mixed-ligand: crystal structure, luminescence and luminescence sensing","CrystEngComm","2020","22","4","740","750","10.1039/C9CE01779H","","","0.71073","MoKα","","0.0423","0.0342","","","0.0898","0.0936","","","","","","1.093","","","","has coordinates","257459","2020-10-21","18:00:00",""
"7239628","10.4591","0.0004","15.2111","0.0006","18.4571","0.0006","90","","114.593","0.002","90","","2670.05","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Gd N2 O9 -","- C28 H16 Gd N2 O9 -","- C112 H64 Gd4 N8 O36 -","4","1","","Xu, Qi-Wei; Dong, Gaoyun; Cui, Ruifang; Li, Xia","3D lanthanide-coordination frameworks constructed by a ternary mixed-ligand: crystal structure, luminescence and luminescence sensing","CrystEngComm","2020","22","4","740","750","10.1039/C9CE01779H","","","0.71073","MoKα","","0.0543","0.0376","","","0.0845","0.0902","","","","","","1.031","","","","has coordinates","257459","2020-10-21","18:00:00",""
"7239629","10.433","0.0006","15.2061","0.0009","18.4169","0.0009","90","","114.466","0.003","90","","2659.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 N2 O9 Tb -","- C28 H16 N2 O9 Tb -","- C112 H64 N8 O36 Tb4 -","4","1","","Xu, Qi-Wei; Dong, Gaoyun; Cui, Ruifang; Li, Xia","3D lanthanide-coordination frameworks constructed by a ternary mixed-ligand: crystal structure, luminescence and luminescence sensing","CrystEngComm","2020","22","4","740","750","10.1039/C9CE01779H","","","0.71073","MoKα","","0.057","0.0409","","","0.1015","0.1078","","","","","","1.084","","","","has coordinates","257459","2020-10-21","18:00:00",""
"7239630","10.4652","0.0004","15.1944","0.0006","18.4885","0.0006","90","","114.554","0.002","90","","2674.05","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Eu N2 O11 -","- C28 H20 Eu N2 O11 -","- C112 H80 Eu4 N8 O44 -","4","1","","Xu, Qi-Wei; Dong, Gaoyun; Cui, Ruifang; Li, Xia","3D lanthanide-coordination frameworks constructed by a ternary mixed-ligand: crystal structure, luminescence and luminescence sensing","CrystEngComm","2020","22","4","740","750","10.1039/C9CE01779H","","","0.71073","MoKα","","0.0393","0.031","","","0.0737","0.0793","","","","","","1.032","","","","has coordinates","257459","2020-10-21","18:00:00",""
"7239634","8.1407","0.0003","8.7295","0.0003","15.6983","0.0005","78.8978","0.0011","79.5625","0.001","88.0006","0.0011","1076.6","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H50 N10 Na2 Ni O24 S2 -","- C24 H50 N10 Na2 Ni O24 S2 -","- C24 H50 N10 Na2 Ni O24 S2 -","1","0.5","","Purkayastha, Atanu; Dhar, Sourab; Mondal, Suvra Prakash; Franconetti, Antonio; Frontera, Antonio; Ganguly, Rakesh; Kirillov, Alexander M.; Misra, Tarun Kumar","Metal‒organic architectures driven by a multifunctional 6-aminouracil spacer: structures, noncovalent interactions, and conductivity","CrystEngComm","2020","22","4","829","840","10.1039/C9CE01437C","","","0.71073","MoKα","","0.0479","0.0373","","","0.086","0.092","","","","","","1.029","","","","has coordinates,has disorder","257458","2020-10-21","18:00:00",""
"7239635","35.2528","0.0006","15.7804","0.0003","13.089","0.0002","90","","109.954","0.001","90","","6844.3","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 K2 N10 O15.25 S2 -","- C24 H31 K2.002 N10 O15.25 S2 -","- C192 H248 K16.016 N80 O122 S16 -","8","1","","Purkayastha, Atanu; Dhar, Sourab; Mondal, Suvra Prakash; Franconetti, Antonio; Frontera, Antonio; Ganguly, Rakesh; Kirillov, Alexander M.; Misra, Tarun Kumar","Metal‒organic architectures driven by a multifunctional 6-aminouracil spacer: structures, noncovalent interactions, and conductivity","CrystEngComm","2020","22","4","829","840","10.1039/C9CE01437C","","","0.71073","MoKα","","0.083","0.0474","","","0.096","0.1163","","","","","","1.062","","","","has coordinates,has disorder","257458","2020-10-21","18:00:00",""
"7239636","7.7666","0.0007","10.535","0.0009","20.5005","0.0017","90","","90.853","0.003","90","","1677.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","rgtm30m","","","- C12 H18 N5 Na O8 S -","- C12 H18 N5 Na O8 S -","- C48 H72 N20 Na4 O32 S4 -","4","1","","Purkayastha, Atanu; Dhar, Sourab; Mondal, Suvra Prakash; Franconetti, Antonio; Frontera, Antonio; Ganguly, Rakesh; Kirillov, Alexander M.; Misra, Tarun Kumar","Metal‒organic architectures driven by a multifunctional 6-aminouracil spacer: structures, noncovalent interactions, and conductivity","CrystEngComm","2020","22","4","829","840","10.1039/C9CE01437C","","","0.71073","MoKα","","0.0767","0.0604","","","0.1285","0.1392","","","","","","1.106","","","","has coordinates,has disorder","257458","2020-10-21","18:00:00",""
"7239637","7.207","0.0014","18.958","0.004","6.43","0.0013","90","","107.09","0.03","90","","839.7","0.3","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Copper coordination polymer","Cu-PDA","","- C7 H7 Cu N O6 -","- C7 H7 Cu N O6 -","- C28 H28 Cu4 N4 O24 -","4","1","","Muthukumar, Pandi; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Polymorphs of a copper coordination compound: interlinking active sites enhance the electrocatalytic activity of the coordination polymer compared to the coordination complex","CrystEngComm","2020","22","3","425","429","10.1039/C9CE01698H","","","0.61","synchrotron","","0.0346","0.033","","","0.0968","0.0976","","","","","","1.122","","","","has coordinates","257496","2020-10-21","18:00:00",""
"7239638","14.582","0.004","15.677","0.005","25.158","0.008","87.217","0.006","75.768","0.006","78.204","0.007","5457","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C102 H106 Cl4 Cu4 Mn2 N22 O29 -","- C102 H100 Cl4 Cu4 Mn2 N22 O29 -","- C204 H200 Cl8 Cu8 Mn4 N44 O58 -","2","1","","Kianimehr, Ashkan; Akhbari, Kamran; White, Jonathan; Phuruangrat, Anukorn","The mechanochemical conversion of potassium coordination polymer nanostructures to interpenetrated sodium coordination polymers with halogen bond, metal‒carbon and metal‒metal interactions","CrystEngComm","2020","22","5","888","894","10.1039/C9CE01861A","","","0.71073","MoKα","","0.3005","0.0834","","","0.1701","0.2585","","","","","","0.937","","","","has coordinates","257448","2020-10-21","18:00:00",""
"7239639","12.3021","0.0004","12.3021","0.0004","42.415","0.002","90","","90","","90","","6419.2","0.4","130","0.1","130","0.1","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C8 H8 Br4 Na2 O8 -","- C8 H8 Br4 Na2 O8 -","- C128 H128 Br64 Na32 O128 -","16","1","","Kianimehr, Ashkan; Akhbari, Kamran; White, Jonathan; Phuruangrat, Anukorn","The mechanochemical conversion of potassium coordination polymer nanostructures to interpenetrated sodium coordination polymers with halogen bond, metal‒carbon and metal‒metal interactions","CrystEngComm","2020","22","5","888","894","10.1039/C9CE01861A","","x-ray","0.71073","MoKα","","0.0444","0.0364","","","0.0864","0.0903","","","","","","1.02","","","","has coordinates","257448","2020-10-21","18:00:00",""
"7239646","7.3955","0.0005","9.6559","0.0007","22.6536","0.0015","90","","96.448","0.002","90","","1607.47","0.19","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N3 O2 -","- C16 H23 N3 O2 -","- C64 H92 N12 O8 -","4","1","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.074","0.0508","","","0.1354","0.1507","","","","","","1.017","","","","has coordinates","257456","2020-10-21","18:00:00",""
"7239647","7.4907","0.0006","9.7684","0.0008","10.3754","0.001","88.424","0.003","75.466","0.003","86.31","0.003","733.32","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N3 O2 -","- C14 H19 N3 O2 -","- C28 H38 N6 O4 -","2","1","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.0616","0.0467","","","0.1271","0.1414","","","","","","1.05","","","","has coordinates","257456","2020-10-21","18:00:00",""
"7239648","7.5227","0.0003","15.5942","0.0006","13.0925","0.0005","90","","94.426","0.002","90","","1531.31","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N3 O4.08 -","- C15 H19 N3 O4.079 -","- C60 H76 N12 O16.316 -","4","1","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.0527","0.0417","","","0.1177","0.1292","","","","","","0.919","","","","has coordinates,has disorder","257456","2020-10-21","18:00:00",""
"7239649","7.6003","0.0004","19.5864","0.0012","10.5405","0.0006","90","","93.758","0.002","90","","1565.71","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N4 O2 -","- C15 H18 N4 O2 -","- C60 H72 N16 O8 -","4","2","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.0506","0.0379","","","0.091","0.0994","","","","","","1.027","","","","has coordinates","257456","2020-10-21","18:00:00",""
"7239650","17.998","0.002","7.5198","0.0009","18.74","0.002","90","","97.185","0.003","90","","2516.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Cl N3 O2 -","- C12 H14 Cl N3 O2 -","- C96 H112 Cl8 N24 O16 -","8","2","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.0691","0.0489","","","0.1075","0.1148","","","","","","1.047","","","","has coordinates","257456","2020-10-21","18:00:00",""
"7239651","8.4198","0.0003","10.7476","0.0003","16.418","0.0004","85.635","0.002","76.008","0.002","71.521","0.003","1367.3","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C17 H36 K2 N2 O7 S4 -","- C17 H36 K2 N2 O7 S4 -","- C34 H72 K4 N4 O14 S8 -","2","1","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","x-ray","1.54184","CuKα","","0.027","0.0261","","","0.0664","0.0672","","","","","","1.062","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239652","13.2315","0.0004","18.1852","0.0006","10.9088","0.0004","90","","97.753","0.003","90","","2600.85","0.15","99.99","0.1","99.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H32 N2 O6 Rb2 S4 -","- C16 H32 N2 O6 Rb2 S4 -","- C64 H128 N8 O24 Rb8 S16 -","4","0.5","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","x-ray","0.71073","MoKα","","0.0432","0.0317","","","0.0551","0.0583","","","","","","1.04","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239653","8.5349","0.0006","10.0169","0.0009","11.851","0.0007","101.882","0.007","101.773","0.006","107.864","0.007","904.01","0.13","99.98","0.11","99.98","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C13 H25 N2 O4 Rb S2 -","- C13 H25 N2 O4 Rb S2 -","- C26 H50 N4 O8 Rb2 S4 -","2","1","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","x-ray","0.71073","MoKα","","0.0493","0.0374","","","0.0646","0.069","","","","","","1.054","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239654","9.218","0.002","9.96","0.002","11.516","0.002","107.997","0.003","97.814","0.004","112.553","0.003","888.8","0.3","295.15","0.02","295.15","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H28 N2 O2 S2 -","- C13 H28 N2 O2 S2 -","- C26 H56 N4 O4 S4 -","2","1","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","","0.71073","MoKα","","0.0657","0.0561","","","0.1394","0.1453","","","","","","1.056","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239655","7.7711","0.0004","9.8984","0.0004","13.0562","0.0005","68.661","0.004","76.137","0.004","76.487","0.004","896.21","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H28 N2 O5 S2 -","- C13 H28 N2 O5 S2 -","- C26 H56 N4 O10 S4 -","2","1","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","x-ray","1.54184","CuKα","","0.0745","0.0721","","","0.2053","0.2063","","","","","","1.256","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239656","10.2515","0.0005","10.3826","0.0005","13.8953","0.0006","84.941","0.004","88.977","0.004","60.813","0.005","1285.63","0.12","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H32 Cs2 N2 O6 S4 -","- C16 H32 Cs2 N2 O6 S4 -","- C32 H64 Cs4 N4 O12 S8 -","2","1","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","x-ray","0.71073","MoKα","","0.0393","0.0324","","","0.0559","0.0593","","","","","","1.027","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239657","29.002","0.003","17.6197","0.0015","16.9351","0.0015","90","","90","","90","","8653.9","1.4","175","2","175","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C36 H44 Cu10 I8 N8 O10 -","- C36 H44 Cu10 I8 N8 O10 -","- C144 H176 Cu40 I32 N32 O40 -","4","0.25","","Liu, Jin-Hua; Zhang, Jing; Zhao, Dan; Lin, Li-Dan; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","The incorporation of heterovalent copper-oxo and copper-halide clusters for the fabrication of three porous cluster organic frameworks: syntheses, structures and iodine adsorption/release study","CrystEngComm","2020","22","4","821","828","10.1039/C9CE01745C","","","0.71073","MoKα","","0.0384","0.0315","","","0.0896","0.0926","","","","","","1.05","","","","has coordinates","257452","2020-10-21","18:00:00",""
"7239658","63.596","0.002","19.6651","0.0007","41.5695","0.0014","90","","130.571","0.001","90","","39490","2","175","2","175","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C112 H80 Cu8 I4 N8 O16 -","- C112 H80 Cu8 I4 N8 O16 -","- C896 H640 Cu64 I32 N64 O128 -","8","1","","Liu, Jin-Hua; Zhang, Jing; Zhao, Dan; Lin, Li-Dan; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","The incorporation of heterovalent copper-oxo and copper-halide clusters for the fabrication of three porous cluster organic frameworks: syntheses, structures and iodine adsorption/release study","CrystEngComm","2020","22","4","821","828","10.1039/C9CE01745C","","","1.54178","CuKα","","0.0973","0.0894","","","0.3184","0.3334","","","","","","1.065","","","","has coordinates","257452","2020-10-21","18:00:00",""
"7239659","49.2699","0.0009","49.2699","0.0009","35.3426","0.0014","90","","90","","120","","74301","4","175","2","175","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C24 H20 Cu6 I4 N4 O10 -","- C24 H20 Cu6 I4 N4 O10 -","- C432 H360 Cu108 I72 N72 O180 -","18","0.5","","Liu, Jin-Hua; Zhang, Jing; Zhao, Dan; Lin, Li-Dan; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","The incorporation of heterovalent copper-oxo and copper-halide clusters for the fabrication of three porous cluster organic frameworks: syntheses, structures and iodine adsorption/release study","CrystEngComm","2020","22","4","821","828","10.1039/C9CE01745C","","","1.54178","CuKα","","0.1111","0.0684","","","0.1879","0.2071","","","","","","1.003","","","","has coordinates","257452","2020-10-21","18:00:00",""
"7239660","12.6209","0.0006","15.82","0.0004","30.3571","0.0015","90","","90","","90","","6061.2","0.4","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cucurbit[6]uril/dopamine metastable complex","","","- C44 H75 Cl N25 O27.5 -","- C44 H48 Cl N25 O27.5 -","- C176 H192 Cl4 N100 O110 -","4","1","","Danylyuk, Oksana; Worzakowska, Marta; Osypiuk-Tomasik, Joanna; Sashuk, Volodymyr; Kedra-Krolik, Karolina","Solution-mediated and single-crystal to single-crystal transformations of cucurbit[6]uril host‒guest complexes with dopamine","CrystEngComm","2020","22","4","634","638","10.1039/C9CE01743G","","","1.54184","CuKα","","0.1136","0.0947","","","0.257","0.282","","","","","","1.019","","","","has coordinates,has disorder","257460","2020-10-21","18:00:00",""
"7239661","50.711","0.002","50.711","0.002","12.5325","0.0008","90","","90","","120","","27911","2","100","0.1","100","0.1","","","","","","","","5","R -3 :H","-R 3","148","cucurbit[6]uril/dopamine complex","","","- C44 H76 Cl N25 O28 -","- C44 H48 Cl N25 O27.916 -","- C792 H864 Cl18 N450 O502.488 -","18","1","","Danylyuk, Oksana; Worzakowska, Marta; Osypiuk-Tomasik, Joanna; Sashuk, Volodymyr; Kedra-Krolik, Karolina","Solution-mediated and single-crystal to single-crystal transformations of cucurbit[6]uril host‒guest complexes with dopamine","CrystEngComm","2020","22","4","634","638","10.1039/C9CE01743G","","","1.54184","CuKα","","0.1104","0.0938","","","0.2792","0.3057","","","","","","1.105","","","","has coordinates,has disorder","257460","2020-10-21","18:00:00",""
"7239662","48.442","0.002","48.442","0.002","12.4117","0.0004","90","","90","","120","","25223.5","1.7","100","0.1","100","0.1","","","","","","","","5","R -3 :H","-R 3","148","'cucurbit[6]uril/dopamine complex - dried in air'","","","- C44 H62.67 Cl N25 O21.33 -","- C44 H48 Cl N25 O20.9493 -","- C792 H864 Cl18 N450 O377.088 -","18","1","","Danylyuk, Oksana; Worzakowska, Marta; Osypiuk-Tomasik, Joanna; Sashuk, Volodymyr; Kedra-Krolik, Karolina","Solution-mediated and single-crystal to single-crystal transformations of cucurbit[6]uril host‒guest complexes with dopamine","CrystEngComm","2020","22","4","634","638","10.1039/C9CE01743G","","","1.54184","CuKα","","0.1379","0.1165","","","0.3189","0.3422","","","","","","1.129","","","","has coordinates,has disorder","257460","2020-10-21","18:00:00",""
"7239666","11.5531","0.0015","14.3534","0.0017","19.165","0.002","90","","102.03","0.003","90","","3108.3","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33.4 H36.2 Cd N4 O4.7 -","- C33.4 H36.2 Cd N4 O4.7 -","- C133.6 H144.8 Cd4 N16 O18.8 -","4","0.5","","Shi, Yong-Sheng; Li, Yue-Hua; Cui, Guang-Hua; Dong, Gui-Ying","New two-dimensional Cd(ii) coordination networks bearing benzimidazolyl-based linkers as bifunctional chemosensors for the detection of acetylacetone and Fe3+","CrystEngComm","2020","22","5","905","914","10.1039/C9CE01819K","","","0.71073","MoKα","","0.0705","0.0609","","","0.1781","0.1918","","","","","","1.089","","","","has coordinates,has disorder","257447","2020-10-21","18:00:00",""
"7239667","6.7975","0.0008","11.3175","0.0013","14.7971","0.0017","70.989","0.002","77.811","0.002","87.456","0.002","1051.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Cd N2 O5 -","- C23 H20 Cd N2 O5 -","- C46 H40 Cd2 N4 O10 -","2","1","","Shi, Yong-Sheng; Li, Yue-Hua; Cui, Guang-Hua; Dong, Gui-Ying","New two-dimensional Cd(ii) coordination networks bearing benzimidazolyl-based linkers as bifunctional chemosensors for the detection of acetylacetone and Fe3+","CrystEngComm","2020","22","5","905","914","10.1039/C9CE01819K","","","0.71073","MoKα","","0.0227","0.0209","","","0.0583","0.0594","","","","","","1.006","","","","has coordinates,has disorder","257447","2020-10-21","18:00:00",""
"7239668","7.6603","0.0004","30.664","0.0017","17.501","0.0011","90","","90.996","0.002","90","","4110.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 Cu N6 O7 -","- C42 H58 Cu N6 O7 -","- C168 H232 Cu4 N24 O28 -","4","1","","Khan, Huzaifa Yasir; Tabassum, Sartaj; Arjmand, Farukh","Evaluation of cytotoxic potential of structurally well-characterized RNA targeted ionic non-steroidal anti-inflammatory (NSAID) Cu(ii) & Zn(ii) DACH‒mefenamato drug conjugates against human cancer cell lines","RSC Advances","2020","10","1","166","178","10.1039/C9RA07464C","","","0.71073","MoKα","","0.0747","0.0653","","","0.1411","0.1493","","","","","","1.0594","","","","has coordinates","258009","2020-10-21","18:00:00",""
"7239669","18.4449","0.001","10.4561","0.0005","3.8127","0.0002","90","","93.617","0.002","90","","733.86","0.07","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H10 F Ga N2 O8 -","- C14 H10 F Ga N2 O8 -","- C28 H20 F2 Ga2 N4 O16 -","2","0.25","","Wu, Junbiao; Lou, Luqi; Sun, Huaying; Tao, Chunyao; Li, Teng; Wang, Zhuopeng; Zhang, Xia; Li, Jiyang","Photochromic inorganic‒organic complex derived from low-cost deep eutectic solvents with tunable photocurrent responses and photocatalytic properties","CrystEngComm","2020","22","6","1078","1085","10.1039/C9CE01727E","","","0.71073","MoKα","","0.0269","0.0268","","","0.0677","0.0678","","","","","","1.176","","","","has coordinates","257474","2020-10-21","18:00:00",""
"7239670","9.0134","0.0004","9.0528","0.0004","9.6602","0.0005","70.923","0.002","76.94","0.002","75.474","0.002","712.15","0.06","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","2-amino-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile","","- C16 H13 N3 O4 -","- C16 H13 N3 O4 -","- C32 H26 N6 O8 -","2","1","","Saini, Sanjeev; Mayank,; Kaur, Navneet; Singh, Narinder","A cytochrome c-urea functionalized dipeptide conjugate: an efficient HBD framework to synthesize 4H-pyrans via one-pot multicomponent reaction","Green Chemistry","2020","22","3","956","968","10.1039/C9GC03512E","","","0.71073","MoKα","","0.0559","0.044","","","0.1111","0.1239","","","","","","1.096","","","","has coordinates","257626","2020-10-21","18:00:00",""
"7239671","11.143","0.006","14.102","0.007","16.943","0.009","105.376","0.008","96.152","0.009","105.879","0.009","2422","2","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H46 Cd3 N4 O18 -","- C78 H46 Cd3 N4 O18 -","- C78 H46 Cd3 N4 O18 -","1","0.5","","Zhang, Jie; Zhou, Wendi; Zhai, Lijun; Niu, Xiaoyan; Hu, Tuoping","A stable dual-emitting dye@LMOF luminescence probe for the rapid and visible detection of organophosphorous pesticides in aqueous media","CrystEngComm","2020","22","6","1050","1056","10.1039/C9CE01846H","","","0.71073","MoKα","","0.0994","0.0477","","","0.1075","0.1263","","","","","","0.887","","","","has coordinates","257472","2020-10-21","18:00:00",""
"7239672","9.582","0.0009","14.7653","0.0013","16.1241","0.0012","90","","90","","90","","2281.3","0.3","192","2","192","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 Mn N9 O4 -","- C17 H21 Cl2 Mn N9 O4 -","- C68 H84 Cl8 Mn4 N36 O16 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0306","0.0295","","","0.0726","0.0733","","","","","","1.048","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239673","9.5465","0.0006","14.6856","0.001","15.9616","0.0012","90","","90","","90","","2237.8","0.3","192","2","192","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 Co N9 O4 -","- C17 H21 Cl2 Co N9 O4 -","- C68 H84 Cl8 Co4 N36 O16 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0271","0.0248","","","0.06","0.0613","","","","","","1.048","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239674","9.396","0.004","14.669","0.006","16.074","0.007","90","","90","","90","","2215.5","1.6","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 Fe N9 O4 -","- C17 H21 Cl2 Fe N9 O4 -","- C68 H84 Cl8 Fe4 N36 O16 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0351","0.0312","","","0.0741","0.0765","","","","","","0.992","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239675","10.2032","0.0003","12.8833","0.0005","19.1031","0.0006","80.2128","0.0017","79.7746","0.0012","80.6301","0.0016","2412.39","0.14","192","2","192","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H44 Cl4 Fe2 N18 O17 -","- C34 H42 Cl4 Fe2 N18 O17 -","- C68 H84 Cl8 Fe4 N36 O34 -","2","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0623","0.0576","","","0.1663","0.1719","","","","","","1.019","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239676","9.4888","0.0007","14.7278","0.0009","15.9298","0.001","90","","90","","90","","2226.2","0.3","192","2","192","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 N9 Ni O4 -","- C17 H21 Cl2 N9 Ni O4 -","- C68 H84 Cl8 N36 Ni4 O16 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0242","0.0228","","","0.0548","0.0553","","","","","","1.058","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239677","9.5605","0.0008","14.6922","0.0011","15.96","0.0014","90","","90","","90","","2241.8","0.3","192","2","192","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 N9 O4 Zn -","- C17 H21 Cl2 N9 O4 Zn -","- C68 H84 Cl8 N36 O16 Zn4 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0727","0.0462","","","0.0835","0.0956","","","","","","1.015","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239678","4.7829","0.0014","11.669","0.004","21.83","0.007","90","","93.778","0.012","90","","1215.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","salicylic acid/1,2-Phenylendiamine","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Tier, Aniele Z.; Wust, Keli M.; Vieira, Jean C. B.; Sardo, Mariana; Čendak, Tomaž; Mafra, Luís; Rocha, João; Gindri, Izabelle M.; Hörner, Manfredo; Frizzo, Clarissa P.","Nature of the multicomponent crystal of salicylic acid and 1,2-phenylenediamine","CrystEngComm","2020","22","4","708","719","10.1039/C9CE01650C","","","0.71073","MoKα","","0.0544","0.0393","","","0.0993","0.1084","","","","","","1.043","","","","has coordinates","257455","2020-10-21","18:00:00",""
"7239679","27.453","0.006","16.474","0.003","20.208","0.004","90","","104.43","0.03","90","","8851","3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H56 Ce Cu6 I9 N8 O12 -","- C68 H48 Ce Cu6 I9 N8 O12 -","- C272 H192 Ce4 Cu24 I36 N32 O48 -","4","1","","Liu, Jian-Jun; You, Ming-Hua; Li, Meng-Hua; Huang, Chang-Cang; Lin, Mei-Jin","A heterometallic D‒A hybrid heterostructural framework with enhanced visible-light photocatalytic properties","CrystEngComm","2020","22","3","420","424","10.1039/C9CE01582E","","","0.71073","MoKα","","0.1421","0.0703","","","0.1639","0.1951","","","","","","1.056","","","","has coordinates","257493","2020-10-21","18:00:00",""
"7239680","6.5011","0.0008","10.2497","0.0012","11.0964","0.0013","97.74","0.01","99.84","0.011","90.131","0.01","721.64","0.15","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","CBNT","carbohydrazide bis[3-(5-nitroimino-1,2,4-triazolate)]","","- C5 H14 N14 O7 -","- C5 H14 N14 O7 -","- C10 H28 N28 O14 -","2","1","","Ren, Jianrong; Chen, Dong; Liu, Guangrui; Wang, Kangcai; Fan, Guijuan; Yu, Yanwu; Zhang, Chaoyang; Li, Hongzhen","Crystal structure evolution of the high energetic compound carbonic dihydrazidinium bis[3-(5-nitroimino-1,2,4-triazolate)] induced by solvents","CrystEngComm","2020","22","3","593","601","10.1039/C9CE01329F","","x-ray","0.71073","MoKα","","0.1036","0.0597","","","0.1394","0.1664","","","","","","1.054","","","","has coordinates","257497","2020-10-21","18:00:00",""
"7239681","6.0311","0.0002","6.9489","0.0002","11.1061","0.0004","77.437","0.001","89.786","0.001","75.146","0.001","438.46","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H22 N12 O6 -","- C8 H22 N12 O6 -","- C8 H22 N12 O6 -","1","0.5","","Ren, Jianrong; Chen, Dong; Liu, Guangrui; Wang, Kangcai; Fan, Guijuan; Yu, Yanwu; Zhang, Chaoyang; Li, Hongzhen","Crystal structure evolution of the high energetic compound carbonic dihydrazidinium bis[3-(5-nitroimino-1,2,4-triazolate)] induced by solvents","CrystEngComm","2020","22","3","593","601","10.1039/C9CE01329F","","","0.71073","MoKα","","0.0396","0.0353","","","0.0905","0.0947","","","","","","1.027","","","","has coordinates","257497","2020-10-21","18:00:00",""
"7239682","5.246","0.0002","17.8848","0.0007","6.3117","0.0002","90","","112.398","0.002","90","","547.51","0.04","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 N10 O6 -","- C4 H8 N10 O6 -","- C8 H16 N20 O12 -","2","0.5","","Ren, Jianrong; Chen, Dong; Liu, Guangrui; Wang, Kangcai; Fan, Guijuan; Yu, Yanwu; Zhang, Chaoyang; Li, Hongzhen","Crystal structure evolution of the high energetic compound carbonic dihydrazidinium bis[3-(5-nitroimino-1,2,4-triazolate)] induced by solvents","CrystEngComm","2020","22","3","593","601","10.1039/C9CE01329F","","","0.71073","MoKα","","0.037","0.0342","","","0.0877","0.0904","","","","","","1.058","","","","has coordinates","257497","2020-10-21","18:00:00",""
"7239683","12.991","0.0007","4.6699","0.0002","14.4974","0.0007","90","","95.171","0.002","90","","875.93","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","H2BNT.2DMSO","","","- C8 H16 N10 O6 S2 -","- C8 H16 N10 O6 S2 -","- C16 H32 N20 O12 S4 -","2","0.5","","Ren, Jianrong; Chen, Dong; Liu, Guangrui; Wang, Kangcai; Fan, Guijuan; Yu, Yanwu; Zhang, Chaoyang; Li, Hongzhen","Crystal structure evolution of the high energetic compound carbonic dihydrazidinium bis[3-(5-nitroimino-1,2,4-triazolate)] induced by solvents","CrystEngComm","2020","22","3","593","601","10.1039/C9CE01329F","","","0.71073","MoKα","","0.0482","0.0431","","","0.1215","0.1267","","","","","","1.047","","","","has coordinates","257497","2020-10-21","18:00:00",""
"7239684","23.5305","0.0006","18.3481","0.0005","22.9597","0.0006","90","","110.077","0.0012","90","","9310.3","0.4","296","2","296.15","","","","","","","","","6","C 1 2/n 1","-C 2yac","15","","","","- C37 H29 Co2 N7 O11 Si -","- C37 H29 Co2 N7 O11 Si -","- C296 H232 Co16 N56 O88 Si8 -","8","1","","Sun, Jing; Zhou, Tao; Pan, Dalong; Zhang, Xinzhu; Wang, Yuying; Shi, Yao-Cheng; Yu, Huaguang","Synthesis, structure, and photoluminescence properties of coordination polymers of 4,4′,4′′,4′′′-tetrakiscarboxyphenylsilane and 3,5-bis(1′,2′,4′-triazol-1′-yl)pyridine","CrystEngComm","2020","22","3","534","545","10.1039/C9CE01529A","","","0.71073","MoKα","","0.0547","0.0415","","","0.1131","0.1223","","","","","","1.04","","","","has coordinates","257495","2020-10-21","18:00:00",""
"7239685","13.1934","0.0007","25.825","0.0014","23.1357","0.0012","90","","91.599","0.003","90","","7879.7","0.7","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H53 Co3 N7 O22 Si2 -","- C65 H53 Co3 N7 O22 Si2 -","- C260 H212 Co12 N28 O88 Si8 -","4","1","","Sun, Jing; Zhou, Tao; Pan, Dalong; Zhang, Xinzhu; Wang, Yuying; Shi, Yao-Cheng; Yu, Huaguang","Synthesis, structure, and photoluminescence properties of coordination polymers of 4,4′,4′′,4′′′-tetrakiscarboxyphenylsilane and 3,5-bis(1′,2′,4′-triazol-1′-yl)pyridine","CrystEngComm","2020","22","3","534","545","10.1039/C9CE01529A","","","0.71073","MoKα","","0.0667","0.0464","","","0.12","0.1332","","","","","","1.019","","","","has coordinates,has disorder","257495","2020-10-21","18:00:00",""
"7239686","13.3181","0.0012","26.176","0.003","23.309","0.0019","90","","93.237","0.003","90","","8112.9","1.4","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H53 Cd3 N7 O22 Si2 -","- C65 H53 Cd3 N7 O22 Si2 -","- C260 H212 Cd12 N28 O88 Si8 -","4","1","","Sun, Jing; Zhou, Tao; Pan, Dalong; Zhang, Xinzhu; Wang, Yuying; Shi, Yao-Cheng; Yu, Huaguang","Synthesis, structure, and photoluminescence properties of coordination polymers of 4,4′,4′′,4′′′-tetrakiscarboxyphenylsilane and 3,5-bis(1′,2′,4′-triazol-1′-yl)pyridine","CrystEngComm","2020","22","3","534","545","10.1039/C9CE01529A","","","0.71073","MoKα","","0.0792","0.0477","","","0.1201","0.1303","","","","","","1.07","","","","has coordinates,has disorder","257495","2020-10-21","18:00:00",""
"7239687","10.539","0.0003","15.4431","0.0004","11.3497","0.0003","90","","105.214","0.001","90","","1782.48","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 N O3 S -","- C19 H27 N O3 S -","- C76 H108 N4 O12 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.045","0.0368","","","0.0965","0.1025","","","","","","1.012","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239688","14.9094","0.0006","12.1019","0.0005","10.5363","0.0005","90","","107.758","0.001","90","","1810.51","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N2 O4 S -","- C18 H24 N2 O4 S -","- C72 H96 N8 O16 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0466","0.0372","","","0.0986","0.1052","","","","","","1.04","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239689","9.4774","0.0004","12.916","0.0006","15.3582","0.0007","90","","99.847","0.001","90","","1852.3","0.14","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 F3 N O2 S -","- C19 H24 F3 N O2 S -","- C76 H96 F12 N4 O8 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0455","0.0367","","","0.1086","0.1157","","","","","","1.045","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239690","19.645","0.004","15.735","0.003","14.349","0.003","90","","114.347","0.007","90","","4041","1.4","350","2","350","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N2 O3 S -","- C20 H28 N2 O3 S -","- C160 H224 N16 O24 S8 -","8","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0767","0.0533","","","0.1496","0.1646","","","","","","1.122","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239691","18.8607","0.0008","15.592","0.0007","14.1742","0.0006","90","","109.206","0.001","90","","3936.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O3 S -","- C20 H28 N2 O3 S -","- C160 H224 N16 O24 S8 -","8","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0771","0.0459","","","0.1276","0.1505","","","","","","1","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239692","10.5361","0.0006","11.2474","0.0006","16.3452","0.001","90","","100.077","0.002","90","","1907.09","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 F3 N O3 S -","- C19 H24 F3 N O3 S -","- C76 H96 F12 N4 O12 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0581","0.0428","","","0.1216","0.1326","","","","","","1.08","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239693","12.0138","0.0006","12.648","0.0006","13.5487","0.0007","107.167","0.002","111.066","0.002","97.215","0.002","1772.5","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 N2 O3 S -","- C18 H24 N2 O3 S -","- C72 H96 N8 O12 S4 -","4","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.075","0.0466","","","0.1128","0.1264","","","","","","1.005","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239694","6.6214","0.0014","10.2453","0.0017","13.391","0.002","91.638","0.014","96.14","0.017","100.447","0.016","887.2","0.3","296","2","296","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C19 H27 N O2 S -","- C19 H27 N O2 S -","- C38 H54 N2 O4 S2 -","2","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","x-ray","1.54184","CuKα","","0.062","0.0422","","","0.1183","0.135","","","","","","0.983","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239695","11.0788","0.0005","12.2658","0.0006","12.9608","0.0006","90","","108.438","0.001","90","","1670.84","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 F3 N O3 S -","- C17 H20 F3 N O3 S -","- C68 H80 F12 N4 O12 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0589","0.0449","","","0.1215","0.1321","","","","","","0.993","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239696","13.3372","0.0006","6.7727","0.0003","21.8857","0.001","90","","101.262","0.002","90","","1938.84","0.15","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H28 N2 O5 S -","- C18 H28 N2 O5 S -","- C72 H112 N8 O20 S4 -","4","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0659","0.0476","","","0.1037","0.1121","","","","","","0.986","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239697","19.5823","0.0013","15.69","0.001","14.2997","0.001","90","","114.189","0.002","90","","4007.8","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N2 O3 S -","- C20 H28 N2 O3 S -","- C160 H224 N16 O24 S8 -","8","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0745","0.0501","","","0.1439","0.1607","","","","","","1.135","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239698","10.5236","0.0003","13.9711","0.0004","14.1761","0.0004","78.441","0.001","85.252","0.001","73.432","0.001","1956.48","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H31 N O2 S -","- C21 H31 N O2 S -","- C84 H124 N4 O8 S4 -","4","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0652","0.0453","","","0.1152","0.1265","","","","","","1.016","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239699","11.0703","0.0005","12.2683","0.0005","13.2315","0.0006","107.558","0.002","90.903","0.002","102.794","0.002","1664.16","0.13","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H20 F3 N O2 S -","- C17 H20 F3 N O2 S -","- C68 H80 F12 N4 O8 S4 -","4","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0822","0.0499","","","0.1146","0.1287","","","","","","1.014","","","","has coordinates,has disorder","257469","2020-10-21","18:00:00",""
"7239700","4.7609","0.0005","8.472","0.001","23.813","0.002","90","","92.392","0.007","90","","959.64","0.17","250","","250","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C18 H20 Cl N -","- C9 H10 Cl0.5 N0.5 -","- C36 H40 Cl2 N2 -","4","1","","Flores, Linda; López Duarte, Ismael; Gómez-Lor, Berta; Gutierrez-Puebla, Enrique; Hennrich, Gunther","Supramolecular synthesis with N-hetero-tolanes: liquid crystals and hydrogen-bonded and halogen-bonded co-crystals","CrystEngComm","2020","22","3","416","419","10.1039/C9CE01551E","","x-ray","1.54178","CuKα","","0.0837","0.0603","","","0.1927","0.2033","","","","","","1.112","","","","has coordinates,has disorder","257492","2020-10-21","18:00:00",""
"7239701","5.9346","0.0006","11.9374","0.0014","13.4258","0.0015","73.485","0.009","85.966","0.008","82.697","0.008","903.91","0.18","250","","250","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N O2 -","- C22 H22 N O2 -","- C44 H44 N2 O4 -","2","1","","Flores, Linda; López Duarte, Ismael; Gómez-Lor, Berta; Gutierrez-Puebla, Enrique; Hennrich, Gunther","Supramolecular synthesis with N-hetero-tolanes: liquid crystals and hydrogen-bonded and halogen-bonded co-crystals","CrystEngComm","2020","22","3","416","419","10.1039/C9CE01551E","","x-ray","1.54178","CuKα","","0.1615","0.1032","","","0.2683","0.3299","","","","","","1.12","","","","has coordinates","257492","2020-10-21","18:00:00",""
"7239702","5.8479","0.0003","8.0949","0.0004","40.0427","0.0014","90","","91.972","0.003","90","","1894.43","0.15","250","","250","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F2 I N -","- C21 H19 F2 I N -","- C84 H76 F8 I4 N4 -","4","1","","Flores, Linda; López Duarte, Ismael; Gómez-Lor, Berta; Gutierrez-Puebla, Enrique; Hennrich, Gunther","Supramolecular synthesis with N-hetero-tolanes: liquid crystals and hydrogen-bonded and halogen-bonded co-crystals","CrystEngComm","2020","22","3","416","419","10.1039/C9CE01551E","","","1.54178","CuKα","","0.1006","0.0901","","","0.2172","0.2224","","","","","","1.295","","","","has coordinates","257492","2020-10-21","18:00:00",""
"7239703","17.6232","0.0019","5.4878","0.0006","20.948","0.002","90","","108.417","0.007","90","","1922.2","0.4","250","2","250","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F2 I N -","- C21 H19 F2 I N -","- C84 H76 F8 I4 N4 -","4","1","","Flores, Linda; López Duarte, Ismael; Gómez-Lor, Berta; Gutierrez-Puebla, Enrique; Hennrich, Gunther","Supramolecular synthesis with N-hetero-tolanes: liquid crystals and hydrogen-bonded and halogen-bonded co-crystals","CrystEngComm","2020","22","3","416","419","10.1039/C9CE01551E","","","1.54178","CuKα","","0.1393","0.0685","","","0.1406","0.1734","","","","","","0.992","","","","has coordinates","257492","2020-10-21","18:00:00",""
"7239704","30.706","0.002","9.6913","0.0007","11.0426","0.0009","90","","90","","90","","3286.1","0.4","296.4","0.8","296.4","0.8","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H23 N O5 -","- C15 H23 N O5 -","- C120 H184 N8 O40 -","8","2","","Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.","Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility","CrystEngComm","2020","22","3","412","415","10.1039/C9CE01625B","","","0.71073","MoKα","","0.1443","0.0687","","","0.168","0.2141","","","","","","0.961","","","","has coordinates,has disorder","257489","2020-10-21","18:00:00",""
"7239705","11.725","0.001","6.1271","0.0004","16.0527","0.0015","90","","99.628","0.009","90","","1136.99","0.16","294","0.3","294","0.3","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C9 H18 N O4 -","- C9 H18 N O4 -","- C36 H72 N4 O16 -","4","1","","Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.","Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility","CrystEngComm","2020","22","3","412","415","10.1039/C9CE01625B","","","0.71073","MoKα","","0.051","0.0429","","","0.1064","0.1141","","","","","","1.088","","","","has coordinates","257489","2020-10-21","18:00:00",""
"7239706","11.5328","0.001","6.1123","0.0005","16.0138","0.0014","90","","99.78","0.009","90","","1112.44","0.17","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H36 N2 O8 -","- C18 H36 N2 O8 -","- C36 H72 N4 O16 -","2","0.5","","Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.","Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility","CrystEngComm","2020","22","3","412","415","10.1039/C9CE01625B","","","0.71073","MoKα","","0.0427","0.0398","","","0.0997","0.1026","","","","","","1.084","","","","has coordinates","257489","2020-10-21","18:00:00",""
"7239707","9.5719","0.0007","30.798","0.002","10.9331","0.0009","90","","90","","90","","3223","0.4","153","0.7","153","0.7","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H23 N O5 -","- C15 H23 N O5 -","- C120 H184 N8 O40 -","8","2","","Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.","Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility","CrystEngComm","2020","22","3","412","415","10.1039/C9CE01625B","","","0.71073","MoKα","","0.0883","0.0638","","","0.1403","0.1609","","","","","","1.094","","","","has coordinates","257489","2020-10-21","18:00:00",""
"7239708","25.482","0.004","10.5445","0.0013","11.8015","0.0013","90","","90","","90","","3171","0.7","296.15","","296.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H15 Cl N4 O4 -","- C14 H15 Cl N4 O4 -","- C112 H120 Cl8 N32 O32 -","8","0.5","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","","0.71073","MoKα","","0.1068","0.0887","","","0.2646","0.2899","","","","","","1.162","","","","has coordinates","257451","2020-10-21","18:00:00",""
"7239709","15.144","0.002","7.7696","0.001","11.1165","0.0014","90","","106.259","0.014","90","","1255.7","0.3","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 -","- C14 H14 N4 -","- C56 H56 N16 -","4","1","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","x-ray","0.71073","MoKα","","0.0356","0.0315","","","0.0807","0.0839","","","","","","1.03","","","","has coordinates","257451","2020-10-21","18:00:00",""
"7239710","11.4937","0.0006","14.6527","0.0007","22.6545","0.0006","71.776","0.003","87.979","0.003","85.994","0.004","3614.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H74 Cd2 Cl4 N16 O25 -","- C56 H64 Cd2 Cl4 N16 O25 -","- C112 H128 Cd4 Cl8 N32 O50 -","2","1","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","","1.54184","CuKα","","0.0628","0.0558","","","0.1437","0.1492","","","","","","1.032","","","","has coordinates,has disorder","257451","2020-10-21","18:00:00",""
"7239711","9.8814","0.0003","14.19","0.0004","15.7164","0.0005","94.95","0.003","91.893","0.003","100.06","0.003","2159.13","0.12","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36.8 H34 Cd N8.4 O6 S2 -","- C34 H32 Cd N8 O6 S2 -","- C68 H64 Cd2 N16 O12 S4 -","2","1","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","","0.71073","MoKα","","0.0591","0.0551","","","0.1377","0.1399","","","","","","1.065","","","","has coordinates","257451","2020-10-21","18:00:00",""
"7239712","9.8572","0.0005","14.2441","0.0007","15.6512","0.0009","96.235","0.004","94.357","0.004","100.569","0.004","2137.1","0.2","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H40 Cd N8 O9 S2 -","- C34 H32 Cd N8 O6 S2 -","- C68 H64 Cd2 N16 O12 S4 -","2","1","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","","0.71073","MoKα","","0.075","0.063","","","0.1472","0.1511","","","","","","1.108","","","","has coordinates","257451","2020-10-21","18:00:00",""
"7239713","8.486","0.001","15.1787","0.0018","16.604","0.002","90","","97.43","0.004","90","","2120.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O4 S Se -","- C23 H20 O4 S Se -","- C92 H80 O16 S4 Se4 -","4","1","","Chen, Shihao; Li, Yaping; Wang, Ming; Jiang, Xuefeng","General sulfone construction via sulfur dioxide surrogate control","Green Chemistry","2020","22","2","322","326","10.1039/C9GC03841H","","","0.71073","MoKα","","0.0582","0.0437","","","0.1134","0.1229","","","","","","1.03","","","","has coordinates","257593","2020-10-21","18:00:00",""
"7239714","11.2374","0.0001","10.3578","0.0001","16.9587","0.0001","90","","90","","90","","1973.9","0.03","292.7","0.6","292.7","0.6","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C88 H80 O16 S8 -","8","1","","Chen, Shihao; Li, Yaping; Wang, Ming; Jiang, Xuefeng","General sulfone construction via sulfur dioxide surrogate control","Green Chemistry","2020","22","2","322","326","10.1039/C9GC03841H","","x-ray","1.54184","CuKα","","0.0351","0.034","","","0.0916","0.0927","","","","","","1.031","","","","has coordinates","257593","2020-10-21","18:00:00",""
"7239715","15.4973","0.0003","10.5001","0.0002","9.92584","0.00018","90","","90.3156","0.0016","90","","1615.14","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F3 N O2 -","- C19 H16 F3 N O2 -","- C76 H64 F12 N4 O8 -","4","1","","Xu, Zhongnan; Huang, Zhixing; Li, Yueheng; Kuniyil, Rositha; Zhang, Chao; Ackermann, Lutz; Ruan, Zhixiong","Catalyst-free, direct electrochemical synthesis of annulated medium-sized lactams through C‒C bond cleavage","Green Chemistry","2020","22","4","1099","1104","10.1039/C9GC03901E","","x-ray","1.54184","CuKα","","0.0418","0.0392","","","0.104","0.1068","","","","","","1.053","","","","has coordinates","257589","2020-10-21","18:00:00",""
"7239716","20.3378","0.001","20.3378","0.001","18.3367","0.0011","90","","90","","90","","7584.5","0.7","100.01","0.1","100.01","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C336 H352 N32 O32 -","16","1","","Li, Jianxiao; Yu, Junsheng; Xiong, Wenfang; Tang, Hao; Hu, Miao; Wu, Wanqing; Jiang, Huanfeng","A palladium-catalyzed oxidative aminocarbonylation reaction of alkynone O-methyloximes with amines and CO in PEG-400","Green Chemistry","2020","22","2","465","470","10.1039/C9GC03562A","","x-ray","0.71073","MoKα","","0.0805","0.0598","","","0.141","0.1522","","","","","","1.063","","","","has coordinates","257594","2020-10-21","18:00:00",""
"7239717","8.3885","0.0004","8.501","0.0004","12.0706","0.0006","106.955","0.001","105.901","0.001","100.707","0.001","758.1","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 Gd2 N8 O16 -","- C20 H26 Gd2 N8 O16 -","- C20 H26 Gd2 N8 O16 -","1","0.5","","Wang, Hai-Ling; Liu, Zi-Yuan; Zhu, Zhong-Hong; Peng, Jin-Mei; Ma, Xiong-Feng; Bai, Juan; Zou, Hua-Hong; Mo, Kai-Qiang; Liang, Fu-Pei","Manipulating clusters by regulating N,O chelating ligands: structures and multistep assembly mechanisms","CrystEngComm","2020","22","5","915","923","10.1039/C9CE01730E","","","0.71073","MoKα","","0.0246","0.0226","","","0.0618","0.0634","","","","","","1.057","","","","has coordinates","257449","2020-10-21","18:00:00",""
"7239718","17.3","0.0002","17.3","0.0002","14.446","0.0003","90","","90","","90","","4323.54","0.11","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C32 H80 Gd9 N16 O50 -","- C32 H80 Gd9 N16 O50 -","- C64 H160 Gd18 N32 O100 -","2","0.25","","Wang, Hai-Ling; Liu, Zi-Yuan; Zhu, Zhong-Hong; Peng, Jin-Mei; Ma, Xiong-Feng; Bai, Juan; Zou, Hua-Hong; Mo, Kai-Qiang; Liang, Fu-Pei","Manipulating clusters by regulating N,O chelating ligands: structures and multistep assembly mechanisms","CrystEngComm","2020","22","5","915","923","10.1039/C9CE01730E","","","0.71073","MoKα","","0.0253","0.0236","","","0.0563","0.0573","","","","","","1.033","","","","has coordinates","257449","2020-10-21","18:00:00",""
"7239719","18.4916","0.0016","18.4916","0.0016","21.4412","0.0019","90","","90","","90","","7331.6","1.1","296","2","296.15","","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C48 H32 Gd12 N16 O64 -","- C48 H32 Gd12 N16 O64 -","- C96 H64 Gd24 N32 O128 -","2","0.125","","Wang, Hai-Ling; Liu, Zi-Yuan; Zhu, Zhong-Hong; Peng, Jin-Mei; Ma, Xiong-Feng; Bai, Juan; Zou, Hua-Hong; Mo, Kai-Qiang; Liang, Fu-Pei","Manipulating clusters by regulating N,O chelating ligands: structures and multistep assembly mechanisms","CrystEngComm","2020","22","5","915","923","10.1039/C9CE01730E","","","0.71073","MoKα","","0.0564","0.0506","","","0.1429","0.1467","","","","","","1.038","","","","has coordinates","257449","2020-10-21","18:00:00",""
"7239720","13.1979","0.0016","11.4803","0.001","10.34","0.0009","90","","90","","90","","1566.7","0.3","200","0.1","200","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H18 O4 -","- C22 H18 O4 -","- C88 H72 O16 -","4","1","","Shi, Yijun; Liu, Xuejing; Han, Ying; Yan, Peng; Bie, Fusheng; Cao, Han","Diels‒Alder reactions between cyclopentadiene analogs and benzoquinone in water and their application in the synthesis of polycyclic cage compounds","RSC Advances","2020","10","2","739","745","10.1039/C9RA09745G","","x-ray","0.71073","MoKα","","0.1202","0.0648","","","0.1069","0.1316","","","","","","1.039","","","","has coordinates","258049","2020-10-21","18:00:00",""
"7239721","10.8929","0.0006","8.8947","0.0005","15.66","0.0008","90","","90","","90","","1517.28","0.14","200","0.1","200","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H9 O2 -","- C11 H9 O2 -","- C88 H72 O16 -","8","1","","Shi, Yijun; Liu, Xuejing; Han, Ying; Yan, Peng; Bie, Fusheng; Cao, Han","Diels‒Alder reactions between cyclopentadiene analogs and benzoquinone in water and their application in the synthesis of polycyclic cage compounds","RSC Advances","2020","10","2","739","745","10.1039/C9RA09745G","","x-ray","0.71073","MoKα","","0.078","0.051","","","0.1046","0.1188","","","","","","1.038","","","","has coordinates","258049","2020-10-21","18:00:00",""
"7239722","9.2415","0.0004","11.3298","0.0005","8.8293","0.0004","90","","90.639","0.004","90","","924.41","0.07","199.98","0.1","199.98","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 O4 -","- C26 H22 O4 -","- C52 H44 O8 -","2","0.5","","Shi, Yijun; Liu, Xuejing; Han, Ying; Yan, Peng; Bie, Fusheng; Cao, Han","Diels‒Alder reactions between cyclopentadiene analogs and benzoquinone in water and their application in the synthesis of polycyclic cage compounds","RSC Advances","2020","10","2","739","745","10.1039/C9RA09745G","","x-ray","0.71073","MoKα","","0.0577","0.0455","","","0.1076","0.1152","","","","","","1.038","","","","has coordinates","258049","2020-10-21","18:00:00",""
"7239723","7.2797","0.0005","14.3957","0.0012","32.249","0.003","90","","90","","90","","3379.6","0.5","298","2","298.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C152 H176 N16 O24 -","8","1","","Rao, Jiarui; Liu, Liwei; Zeng, Dan; Wang, Mingwei; Xiang, Meng; Yang, Song","Antibiotic activities of propanolamine containing 1,4-benzoxazin-3-ones against phytopathogenic bacteria","RSC Advances","2020","10","2","682","688","10.1039/C9RA09639F","","","0.71073","MoKα","","0.1155","0.0549","","","0.1263","0.1557","","","","","","1.041","","","","has coordinates","258051","2020-10-21","18:00:00",""
"7239724","6.8844","0.0004","16.4488","0.0008","19.824","0.001","90","","98.802","0.002","90","","2218.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Gold(III) meso-(4-trifluoromethylphenyl)dipyrrin-bisphenolate","","- C28 H16 Au F3 N2 O2 -","- C28 H16 Au F3 N2 O2 -","- C112 H64 Au4 F12 N8 O8 -","4","1","","Thomas, Kolle E.; Desbois, Nicolas; Conradie, Jeanet; Teat, Simon J.; Gros, Claude P.; Ghosh, Abhik","Gold dipyrrin-bisphenolates: a combined experimental and DFT study of metal‒ligand interactions","RSC Advances","2020","10","1","533","540","10.1039/C9RA09228E","","","0.7288","synchrotron","","0.0462","0.0392","","","0.1106","0.1131","","","","","","1.332","","","","has coordinates","258010","2020-10-21","18:00:00",""
"7239725","11.8376","0.0002","19.8062","0.0004","11.5994","0.0003","90","","93.465","0.001","90","","2714.6","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 Cu N4 O6 -","- C31 H22 Cu N4 O6 -","- C124 H88 Cu4 N16 O24 -","4","1","","Huang, Chao; Zhu, Kaifang; Lu, Guizhen; Zhang, Yingying; Wang, Dandan; Zhang, Dianbo; Mi, Liwei; Hou, Hongwei","Oriented assembly of copper metal‒organic framework membranes as tandem catalysts to enhance C‒H hydroxyalkynylation reactions with regiocontrol","CrystEngComm","2020","22","4","802","810","10.1039/C9CE01719D","","","0.71073","MoKα","","0.0788","0.0697","","","0.1911","0.2012","","","","","","1.054","","","","has coordinates","257454","2020-10-21","18:00:00",""
"7239726","32.816","0.012","9.466","0.005","33.049","0.013","90","","118.73","0.03","90","","9002","7","293","2","293","2","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C34 H24 Br2 Co2 N6 O8 -","- C34 H24 Br2 Co2 N6 O8 -","- C272 H192 Br16 Co16 N48 O64 -","8","1","","Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming","Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene","CrystEngComm","2020","22","4","811","820","10.1039/C9CE01474H","","","0.71073","MoKα","","0.0531","0.0338","","","0.078","0.0843","","","","","","1.044","","","","has coordinates,has disorder","257453","2020-10-21","18:00:00",""
"7239727","19.47","0.003","11.53","0.015","29.73","0.004","90","","107.15","0.009","90","","6377","8","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C52 H46 Co3 N12 O16 S2 -","- C52 H46 Co3 N12 O16 S2 -","- C208 H184 Co12 N48 O64 S8 -","4","0.5","","Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming","Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene","CrystEngComm","2020","22","4","811","820","10.1039/C9CE01474H","","","0.71073","MoKα","","0.0953","0.0803","","","0.1981","0.2053","","","","","","1.174","","","","has coordinates","257453","2020-10-21","18:00:00",""
"7239728","52.46","0.007","7.211","0.001","19.47","0.003","90","","90","","90","","7365.3","1.8","173","2","173","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C112 H106 Co5 N28 O28 -","- C112 H106 Co5 N28 O28 -","- C224 H212 Co10 N56 O56 -","2","0.5","","Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming","Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene","CrystEngComm","2020","22","4","811","820","10.1039/C9CE01474H","","","0.71073","MoKα","","0.0565","0.0352","","","0.07","0.072","","","","","","1.099","","","","has coordinates","257453","2020-10-21","18:00:00",""
"7239729","33.563","0.019","12.204","0.004","10.119","0.004","90","","90","","90","","4145","3","293","2","293","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C17 H14 Co N4 O4 -","- C17 H14 Co N4 O4 -","- C136 H112 Co8 N32 O32 -","8","1","","Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming","Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene","CrystEngComm","2020","22","4","811","820","10.1039/C9CE01474H","","","0.71073","MoKα","","0.0407","0.0374","","","0.1016","0.1036","","","","","","1.057","","","","has coordinates,has disorder","257453","2020-10-21","18:00:00",""
"7239730","7.1396","0.0018","15.021","0.004","17.652","0.005","90","","96.825","0.004","90","","1879.7","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N4 O7 -","- C17 H24 N4 O7 -","- C68 H96 N16 O28 -","4","1","","Appiagyei, Benjamin; Bhatia, Souful; Keeney, Gabriela L.; Dolmetsch, Troy; Jackson, James E.","Electroactivated alkylation of amines with alcohols via both direct and indirect borrowing hydrogen mechanisms","Green Chemistry","2020","22","3","860","869","10.1039/C9GC03747K","","","0.71073","MoKα","","0.1038","0.0637","","","0.1688","0.2027","","","","","","1.028","","","","has coordinates,has disorder","257628","2020-10-21","18:00:00",""
"7239731","8.8182","0.0005","10.111","0.0004","21.493","0.0009","90","","90","","90","","1916.33","0.15","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C7 H8 N2 O3 P Zn -","- C7 H8 N2 O3 P Zn -","- C56 H64 N16 O24 P8 Zn8 -","8","1","","Sun, Yayong; Wang, Fupeng; Fu, Yunlei; Chen, Chao; Wang, Xuanyi; Xiao, Zhenyu; Liu, Yanru; Xu, Jixiang; Li, Bin; Wang, Lei","Two new inorganic‒organic hybrid zinc phosphites and their derived ZnO/ZnS heterostructure for efficient photocatalytic hydrogen production","RSC Advances","2020","10","2","812","817","10.1039/C9RA06919D","","","0.71073","MoKα","","0.0442","0.0317","","","0.0714","0.0782","","","","","","1.03","","","","has coordinates,has disorder","258048","2020-10-21","18:00:00",""
"7239732","5.2103","0.0002","11.7634","0.0005","17.4168","0.0008","90","","99.315","0.004","90","","1053.41","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N2 O3 P Zn -","- C8 H9 N2 O3 P Zn -","- C32 H36 N8 O12 P4 Zn4 -","4","1","","Sun, Yayong; Wang, Fupeng; Fu, Yunlei; Chen, Chao; Wang, Xuanyi; Xiao, Zhenyu; Liu, Yanru; Xu, Jixiang; Li, Bin; Wang, Lei","Two new inorganic‒organic hybrid zinc phosphites and their derived ZnO/ZnS heterostructure for efficient photocatalytic hydrogen production","RSC Advances","2020","10","2","812","817","10.1039/C9RA06919D","","","0.71073","MoKα","","0.1774","0.1745","","","0.4731","0.474","","","","","","1.156","","","","has coordinates","258048","2020-10-21","18:00:00",""
"7239740","7.4239","0.0014","7.4239","0.0014","13.169","0.003","90","","90","","90","","725.8","0.3","301","2","301","2","","","","","","","","4","I -4","I -4","82","","","","- Co0.69 Cs1.29 Ge1.81 O5 -","- Co0.691 Cs1.2858 Ge1.809 O5 -","- Co2.764 Cs5.1432 Ge7.236 O20 -","4","0.5","","Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad","Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure","CrystEngComm","2020","22","6","1112","1119","10.1039/C9CE01662G","","","0.71073","MoKα","","0.0217","0.0206","","","0.0514","0.0518","","","","","","1.062","","","","has coordinates","257476","2020-10-21","18:00:00",""
"7239741","8.9926","0.0004","5.4599","0.0002","9.3958","0.0006","90","","91.5928","0.0018","90","","461.14","0.04","301","2","301","2","","","","","","","","4","I 1 m 1","I -2y","8","","","","- Co0.5 Cs O4 Si1.5 -","- Co0.5 Cs O4 Si1.5 -","- Co2 Cs4 O16 Si6 -","4","1","","Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad","Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure","CrystEngComm","2020","22","6","1112","1119","10.1039/C9CE01662G","","","0.71073","MoKα","","0.0264","0.0209","","","0.0428","0.0457","","","","","","1.15","","","","has coordinates","257476","2020-10-21","18:00:00",""
"7239742","8.996","0.002","5.45","0.001","9.381","0.002","90","","90.709","0.017","90","","459.9","0.16","301","2","301","2","","","","","","","","5","I 1 m 1","I -2y","8","","","","- Co0.5 Cs0.86 O4 Rb0.14 Si1.5 -","- Co0.5 Cs0.86 O4 Rb0.14 Si1.5 -","- Co2 Cs3.44 O16 Rb0.56 Si6 -","4","1","","Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad","Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure","CrystEngComm","2020","22","6","1112","1119","10.1039/C9CE01662G","","","0.71073","MoKα","","0.0345","0.0309","","","0.0706","0.0741","","","","","","1.091","","","","has coordinates","257476","2020-10-21","18:00:00",""
"7239743","7.354","0.0006","7.354","0.0006","13.1122","0.0011","90","","90","","90","","709.13","0.1","301","2","301","2","","","","","","","","4","I -4","I -4","82","","","","- Co Cs2 Ge4 O10 -","- Co Cs2 Ge4 O10 -","- Co2 Cs4 Ge8 O20 -","2","0.25","","Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad","Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure","CrystEngComm","2020","22","6","1112","1119","10.1039/C9CE01662G","","","0.71073","MoKα","","0.0248","0.0235","","","0.0651","0.0661","","","","","","1.221","","","","has coordinates","257476","2020-10-21","18:00:00",""
"7239744","9.8461","0.0012","9.2276","0.0011","10.1454","0.0012","90","","115.242","0.002","90","","833.75","0.17","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 S -","- C11 H7 S -","- C44 H28 S4 -","4","1","","Wang, Renjie; Liang, Yunfei; Liu, Gang; Pu, Shouzhi","Aggregation-induced emission compounds based on 9,10-diheteroarylanthracene and their applications in cell imaging","RSC Advances","2020","10","4","2170","2179","10.1039/C9RA09290K","","","0.71073","MoKα","","0.1733","0.1595","","","0.4885","0.5128","","","","","","2.478","","","","has coordinates","258037","2020-10-21","18:00:00",""
"7239745","9.3335","0.001","10.1341","0.0012","15.08","0.0018","90","","101.55","0.002","90","","1397.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N2 O4 -","- C32 H32 N2 O4 -","- C64 H64 N4 O8 -","2","0.5","","Wang, Renjie; Liang, Yunfei; Liu, Gang; Pu, Shouzhi","Aggregation-induced emission compounds based on 9,10-diheteroarylanthracene and their applications in cell imaging","RSC Advances","2020","10","4","2170","2179","10.1039/C9RA09290K","","","0.71073","MoKα","","0.0803","0.0487","","","0.1205","0.1432","","","","","","1.015","","","","has coordinates","258037","2020-10-21","18:00:00",""
"7239746","18.3966","0.0019","11.3788","0.0012","7.4311","0.0008","90","","90","","90","","1555.6","0.3","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","0.5","","Wang, Renjie; Liang, Yunfei; Liu, Gang; Pu, Shouzhi","Aggregation-induced emission compounds based on 9,10-diheteroarylanthracene and their applications in cell imaging","RSC Advances","2020","10","4","2170","2179","10.1039/C9RA09290K","","","0.71073","MoKα","","0.0644","0.0449","","","0.1228","0.1433","","","","","","0.942","","","","has coordinates","258037","2020-10-21","18:00:00",""
"7239747","9.1632","0.0014","8.9491","0.0014","10.3448","0.0016","90","","111.284","0.002","90","","790.4","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 O2 -","- C22 H14 O2 -","- C44 H28 O4 -","2","0.5","","Wang, Renjie; Liang, Yunfei; Liu, Gang; Pu, Shouzhi","Aggregation-induced emission compounds based on 9,10-diheteroarylanthracene and their applications in cell imaging","RSC Advances","2020","10","4","2170","2179","10.1039/C9RA09290K","","","0.71073","MoKα","","0.0577","0.0421","","","0.1127","0.1248","","","","","","1.049","","","","has coordinates","258037","2020-10-21","18:00:00",""
"7239748","13.9788","0.0008","11.5307","0.0008","7.4437","0.0003","90","","90","","90","","1199.82","0.12","298","","298","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C13 H11 Cl Cu N3 -","- C13 H11 Cl Cu N3 -","- C52 H44 Cl4 Cu4 N12 -","4","0.5","","Shemchuk, Oleksii; Braga, Dario; Grepioni, Fabrizia; Turner, Raymond J.","Co-crystallization of antibacterials with inorganic salts: paving the way to activity enhancement","RSC Advances","2020","10","4","2146","2149","10.1039/C9RA10353H","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0184","2.47454","","","","","","","has coordinates","258038","2020-10-21","18:00:00",""
"7239749","6.069","0.004","8.501","0.002","12.518","0.003","90","","98","0.04","90","","639.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","thiophene....","","- C5 H6 N2 O S -","- C5 H6 N2 O S -","- C20 H24 N8 O4 S4 -","4","1","","Al-Zaqri, Nabil; Khatib, Tamer; Alsalme, Ali; Alharthi, Fahad A.; Zarrouk, Abdelkader; Warad, Ismail","Synthesis and amide imidic prototropic tautomerization in thiophene-2-carbohydrazide: XRD, DFT/HSA-computation, DNA-docking, TG and isoconversional kinetics via FWO and KAS models","RSC Advances","2020","10","4","2037","2048","10.1039/C9RA09831C","","","0.71073","MoKα","","0.05","0.0384","","","0.0859","0.0935","","","","","","1.062","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7239750","10.51","0.003","11.377","0.003","32.058","0.009","90","","93.828","0.007","90","","3824.7","1.8","123","2","123","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H58 O4 Si2 -","- C40 H58 O4 Si2 -","- C160 H232 O16 Si8 -","4","1","","Ohno, Shohei; Avena, Ramon Francisco; Aoyama, Hiroshi; Fujioka, Hiromichi; Arisawa, Mitsuhiro","Thermal [2 + 2]-cycloaddition between silylalkynes and allenylphenols followed by the nucleophilic addition of water: metal-free and economical synthesis of arylcyclobutenals","Green Chemistry","2020","22","4","1220","1228","10.1039/C9GC04184B","","x-ray","1.54178","CuKα","","0.1053","0.0689","","","0.2056","0.2602","","","","","","1.039","","","","has coordinates","296814","2024-12-10","08:46:17",""
"7239751","6.2629","0.0011","18.353","0.003","22.063","0.005","90","","92.471","0.007","90","","2533.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 N O2 S Se -","- C30 H25 N O2 S Se -","- C120 H100 N4 O8 S4 Se4 -","4","1","","Dutta, Shubham; Prabagar, B.; Vanjari, Rajeshwer; Gandon, Vincent; Sahoo, Akhila K.","An unconventional sulfur-to-selenium-to-carbon radical transfer: chemo-and regioselective cyclization of yne-ynamides","Green Chemistry","2020","22","4","1113","1118","10.1039/C9GC03745D","","","0.71073","MoKα","","0.0794","0.0523","","","0.1495","0.1677","","","","","","0.909","","","","has coordinates,has disorder","257585","2020-10-21","18:00:00",""
"7239752","9.6267","0.0007","5.2704","0.0002","13.829","0.0017","90","","109.943","0.011","90","","659.56","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H46 N4 O8 -","- C21 H46 N4 O8 -","- C21 H46 N4 O8 -","1","0.5","","Isakov, Anton I.; Lorenz, Heike; Zolotarev, Andrey A.; Kotelnikova, Elena N.","Heteromolecular compounds in binary systems of amino acids with opposite and same chiralities","CrystEngComm","2020","22","5","986","997","10.1039/C9CE01333D","","x-ray","1.54184","CuKα","","0.0829","0.0687","","","0.1864","0.2039","","","","","","1.025","","","","has coordinates,has disorder","257450","2020-10-21","18:00:00",""
"7239753","20.5773","0.0013","7.6357","0.0005","20.5774","0.0006","90","","94.06","0.01","90","","3225.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H28 Cd2 N4 O8 -","- C42 H28 Cd2 N4 O8 -","- C168 H112 Cd8 N16 O32 -","4","1","","Yang, Ying-Jie; Li, Yue-Hua; Liu, Dong; Cui, Guang-Hua","A dual-responsive luminescent sensor based on a water-stable Cd(ii)-MOF for the highly selective and sensitive detection of acetylacetone and Cr2O72− in aqueous solutions","CrystEngComm","2020","22","7","1166","1175","10.1039/C9CE01546A","","","0.71073","MoKα","","0.0213","0.0211","","","0.0565","0.0566","","","","","","1.027","","","","has coordinates,has disorder","257479","2020-10-21","18:00:00",""
"7239754","15.5031","0.0009","10.5717","0.0006","18.4527","0.0011","90","","107.028","0.001","90","","2891.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cd N4 O4 -","- C32 H26 Cd N4 O4 -","- C128 H104 Cd4 N16 O16 -","4","1","","Yang, Ying-Jie; Li, Yue-Hua; Liu, Dong; Cui, Guang-Hua","A dual-responsive luminescent sensor based on a water-stable Cd(ii)-MOF for the highly selective and sensitive detection of acetylacetone and Cr2O72− in aqueous solutions","CrystEngComm","2020","22","7","1166","1175","10.1039/C9CE01546A","","","0.71073","MoKα","","0.0335","0.0267","","","0.0887","0.0996","","","","","","1.079","","","","has coordinates","257479","2020-10-21","18:00:00",""
"7239755","3.6422","0.0009","21.241","0.004","15.081","0.003","90","","95.902","0.008","90","","1160.5","0.4","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 N12 O2 -","- C6 H12 N12 O2 -","- C24 H48 N48 O8 -","4","1","","Zhang, Jichuan; Wang, Zhenyuan; Hsieh, Yunhao; Wang, Binshen; Huang, Haifeng; Yang, Jun; Zhang, Jiaheng","A promising cation of 4-aminofurazan-3-carboxylic acid amidrazone in desensitizing energetic materials","RSC Advances","2020","10","5","2519","2525","10.1039/C9RA09555A","","","0.71073","MoKα","","0.1461","0.0918","","","0.2307","0.2745","","","","","","1.039","","","","has coordinates","258023","2020-10-21","18:00:00",""
"7239756","14.685","0.01","7.065","0.005","8.601","0.006","90","","93.627","0.015","90","","890.6","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N10 O2 -","- C4 H7 N10 O2 -","- C16 H28 N40 O8 -","4","1","","Zhang, Jichuan; Wang, Zhenyuan; Hsieh, Yunhao; Wang, Binshen; Huang, Haifeng; Yang, Jun; Zhang, Jiaheng","A promising cation of 4-aminofurazan-3-carboxylic acid amidrazone in desensitizing energetic materials","RSC Advances","2020","10","5","2519","2525","10.1039/C9RA09555A","","","0.71073","MoKα","","0.0954","0.0744","","","0.1648","0.1776","","","","","","1.062","","","","has coordinates","258023","2020-10-21","18:00:00",""
"7239757","6.849","0.0011","11.5108","0.0019","22.982","0.004","90","","90","","90","","1811.8","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H9 N7 O5 -","- C3 H9 N7 O5 -","- C24 H72 N56 O40 -","8","1","","Zhang, Jichuan; Wang, Zhenyuan; Hsieh, Yunhao; Wang, Binshen; Huang, Haifeng; Yang, Jun; Zhang, Jiaheng","A promising cation of 4-aminofurazan-3-carboxylic acid amidrazone in desensitizing energetic materials","RSC Advances","2020","10","5","2519","2525","10.1039/C9RA09555A","","","0.71073","MoKα","","0.0471","0.0436","","","0.1115","0.1148","","","","","","1.126","","","","has coordinates","258023","2020-10-21","18:00:00",""
"7239758","6.8147","0.0006","14.324","0.0011","10.2906","0.0008","90","","103.859","0.003","90","","975.26","0.14","173","2","173","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C9 H14 N20 O5 -","- C9 H14 N20 O5 -","- C18 H28 N40 O10 -","2","1","","Zhang, Jichuan; Wang, Zhenyuan; Hsieh, Yunhao; Wang, Binshen; Huang, Haifeng; Yang, Jun; Zhang, Jiaheng","A promising cation of 4-aminofurazan-3-carboxylic acid amidrazone in desensitizing energetic materials","RSC Advances","2020","10","5","2519","2525","10.1039/C9RA09555A","","","0.71073","MoKα","","0.1157","0.0695","","","0.1495","0.1771","","","","","","1.023","","","","has coordinates","258023","2020-10-21","18:00:00",""
"7239759","9.588","0.0012","9.1464","0.0013","15.181","0.003","90","","95.161","0.013","90","","1325.9","0.4","297","2","297","","","","","","","","","5","P 1 21 1","P 2yb","4","","(C10H16N)2MnBr4","","- C20 H32 Br4 Mn N2 -","- C20 H32 Br4 Mn N2 -","- C40 H64 Br8 Mn2 N4 -","2","1","","Fu, Hanmei; Jiang, Chunli; Lao, Jie; Luo, Chunhua; Lin, Hechun; Peng, Hui; Duan, Chun-Gang","An organic‒inorganic hybrid ferroelectric with strong luminescence and high Curie temperature","CrystEngComm","2020","22","8","1436","1441","10.1039/C9CE01888C","","","1.54178","CuKα","","0.041","0.0391","","","0.1128","0.1154","","","","","","1.048","","","","has coordinates","257440","2020-10-21","18:00:00",""
"7239760","9.471","0.01","13.021","0.006","19.887","0.006","77.83","0.02","81.76","0.04","87.25","0.03","2372","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H54 F2 N8 O0.2 -","- C58 H54 F2 N8 O0.2 -","- C116 H108 F4 N16 O0.4 -","2","1","","Guillon, Jean; Nim, Shweta; Moreau, Stéphane; Ronga, Luisa; Savrimoutou, Solène; Thivet, Elisabeth; Marchivie, Mathieu; Di Pietro, Attilio; Prasad, Rajendra; Le Borgne, Marc","Synthesis of new piperazinyl-pyrrolo[1,2-a]quinoxaline derivatives as inhibitors of Candida albicans multidrug transporters by a Buchwald‒Hartwig cross-coupling reaction","RSC Advances","2020","10","5","2915","2931","10.1039/C9RA09348F","","","1.5418","CuKα","","0.146","0.0944","","","0.2133","0.2411","","","","","","1.06","","","","has coordinates","258022","2020-10-21","18:00:00",""
"7239761","9.5233","0.0014","10.8011","0.0019","11.8823","0.0016","107.688","0.011","110.089","0.01","100.552","0.011","1035.6","0.3","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H24 N4 -","- C27 H24 N4 -","- C54 H48 N8 -","2","1","","Guillon, Jean; Nim, Shweta; Moreau, Stéphane; Ronga, Luisa; Savrimoutou, Solène; Thivet, Elisabeth; Marchivie, Mathieu; Di Pietro, Attilio; Prasad, Rajendra; Le Borgne, Marc","Synthesis of new piperazinyl-pyrrolo[1,2-a]quinoxaline derivatives as inhibitors of Candida albicans multidrug transporters by a Buchwald‒Hartwig cross-coupling reaction","RSC Advances","2020","10","5","2915","2931","10.1039/C9RA09348F","","","1.5418","CuKα","","0.0697","0.0624","","","0.1657","0.1778","","","","","","1.103","","","","has coordinates","258022","2020-10-21","18:00:00",""
"7239762","8.8377","0.0006","11.5913","0.0009","12.6874","0.0011","68.122","0.008","86.872","0.007","80.728","0.006","1190.32","0.18","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 Cl I N5 Pd -","- C24 H25 Cl I N5 Pd -","- C48 H50 Cl2 I2 N10 Pd2 -","2","1","","Mikherdov, Alexander S.; Katkova, Svetlana A.; Novikov, Alexander S.; Efremova, Mariia M.; Reutskaya, Elena Yu.; Kinzhalov, Mikhail A.","(Isocyano group)⋯lone pair interactions involving coordinated isocyanides: experimental, theoretical and CSD studies","CrystEngComm","2020","22","7","1154","1159","10.1039/C9CE01741K","","","0.71073","MoKα","","0.045","0.0322","","","0.063","0.0696","","","","","","1.035","","","","has coordinates","257478","2020-10-21","18:00:00",""
"7239763","8.4738","0.0002","24.4748","0.0006","11.8708","0.0003","90","","91.051","0.001","90","","2461.53","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Cl O4 -","- C27 H25 Cl O4 -","- C108 H100 Cl4 O16 -","4","1","","Zhang, Zhipeng; Yu, Yang; Huang, Fei; Yi, Xiangyan; Xu, Yao; He, Yide; Baell, Jonathan B.; Huang, He","Catalytic O‒H bond insertion reactions using surface modified sewage sludge as a catalyst","Green Chemistry","2020","22","5","1594","1604","10.1039/C9GC03428E","","","0.71073","MoKα","","0.09","0.0684","","","0.1953","0.2209","","","","","","1.046","","","","has coordinates,has disorder","257583","2020-10-21","18:00:00",""
"7239764","15.0906","0.0005","7.9886","0.0002","15.7975","0.0005","90","","95.544","0.001","90","","1895.52","0.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O4 -","- C23 H22 O4 -","- C92 H88 O16 -","4","1","","Zhang, Zhipeng; Yu, Yang; Huang, Fei; Yi, Xiangyan; Xu, Yao; He, Yide; Baell, Jonathan B.; Huang, He","Catalytic O‒H bond insertion reactions using surface modified sewage sludge as a catalyst","Green Chemistry","2020","22","5","1594","1604","10.1039/C9GC03428E","","","0.71073","MoKα","","0.0531","0.0421","","","0.1089","0.1192","","","","","","1.013","","","","has coordinates","257583","2020-10-21","18:00:00",""
"7239765","20.4048","0.0006","17.4839","0.0006","18.8696","0.0006","90","","93.682","0.002","90","","6717.9","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H34 B18 Co S10 -","- C16 H34 B18 Co S10 -","- C128 H272 B144 Co8 S80 -","8","1","","Stogniy, Marina Yu.; Kazheva, Olga N.; Chudak, Denis M.; Shilov, Gennady V.; Filippov, Oleg A.; Sivaev, Igor B.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Buravov, Lev I.; Bregadze, Vladimir I.; Dyachenko, Oleg A.","Synthesis and study of C-substituted methylthio derivatives of cobalt bis(dicarbollide)","RSC Advances","2020","10","5","2887","2896","10.1039/C9RA08551C","","","0.71073","MoKα","","0.0525","0.0367","","","0.0832","0.0924","","","","","","1.041","","","","has coordinates","258024","2020-10-21","18:00:00",""
"7239766","11.5375","0.0016","14.0705","0.0006","14.9602","0.001","90.864","0.004","106.952","0.011","93.424","0.008","2317.6","0.4","292.5","0.5","292.5","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C91 H60 Eu4 N7 O32 -","- C91 H60 Eu4 N7 O32 -","- C91 H60 Eu4 N7 O32 -","1","0.5","","Duan, Lijuan; Zhang, Chengcheng; Cen, Peipei; Jin, Xiaoyong; Liang, Chen; Yang, Jinhui; Liu, Xiangyu","Stable Ln-MOFs as multi-responsive photoluminescence sensors for sensitively sensing Fe3+, Cr2O72-, and nitrofuran","CrystEngComm","2020","","","","","10.1039/C9CE01995B","","x-ray","1.54184","CuKα","","0.1147","0.0908","","","0.242","0.284","","","","","","1.023","","","","has coordinates,has disorder","246991","2020-10-21","18:00:00",""
"7239767","11.372","0.004","13.957","0.005","11.331","0.004","90","","95.083","0.013","90","","1791.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Ho N O9 -","- C15 H10 Ho N O9 -","- C60 H40 Ho4 N4 O36 -","4","1","","Duan, Lijuan; Zhang, Chengcheng; Cen, Peipei; Jin, Xiaoyong; Liang, Chen; Yang, Jinhui; Liu, Xiangyu","Stable Ln-MOFs as multi-responsive photoluminescence sensors for sensitively sensing Fe3+, Cr2O72-, and nitrofuran","CrystEngComm","2020","","","","","10.1039/C9CE01995B","","","0.71073","MoKα","","0.0761","0.0423","","","0.0892","0.0989","","","","","","1.067","","","","has coordinates","246991","2020-10-21","18:00:00",""
"7239768","11.3968","0.0005","14.0119","0.0006","11.3978","0.0005","90","","95.65","","90","","1811.28","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N O9 Tb -","- C15 H10 N O9 Tb -","- C60 H40 N4 O36 Tb4 -","4","1","","Duan, Lijuan; Zhang, Chengcheng; Cen, Peipei; Jin, Xiaoyong; Liang, Chen; Yang, Jinhui; Liu, Xiangyu","Stable Ln-MOFs as multi-responsive photoluminescence sensors for sensitively sensing Fe3+, Cr2O72-, and nitrofuran","CrystEngComm","2020","","","","","10.1039/C9CE01995B","","","0.71073","MoKα","","0.0587","0.0346","","","0.0805","0.089","","","","","","1.071","","","","has coordinates","246991","2020-10-21","18:00:00",""
"7239769","11.3313","0.0008","13.9527","0.0009","11.2894","0.0008","90","","95.06","0.002","90","","1777.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Er N O9 -","- C15 H10 Er N O9 -","- C60 H40 Er4 N4 O36 -","4","1","","Duan, Lijuan; Zhang, Chengcheng; Cen, Peipei; Jin, Xiaoyong; Liang, Chen; Yang, Jinhui; Liu, Xiangyu","Stable Ln-MOFs as multi-responsive photoluminescence sensors for sensitively sensing Fe3+, Cr2O72-, and nitrofuran","CrystEngComm","2020","","","","","10.1039/C9CE01995B","","","0.71073","MoKα","","0.0865","0.0433","","","0.0841","0.0959","","","","","","1.02","","","","has coordinates","246991","2020-10-21","18:00:00",""
"7239770","11.3894","0.0011","13.9859","0.0015","11.3879","0.0011","90","","95.636","0.003","90","","1805.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Dy N O9 -","- C15 H10 Dy N O9 -","- C60 H40 Dy4 N4 O36 -","4","1","","Duan, Lijuan; Zhang, Chengcheng; Cen, Peipei; Jin, Xiaoyong; Liang, Chen; Yang, Jinhui; Liu, Xiangyu","Stable Ln-MOFs as multi-responsive photoluminescence sensors for sensitively sensing Fe3+, Cr2O72-, and nitrofuran","CrystEngComm","2020","","","","","10.1039/C9CE01995B","","","0.71073","MoKα","","0.051","0.0308","","","0.0777","0.0845","","","","","","1.086","","","","has coordinates","246991","2020-10-21","18:00:00",""
"7239771","11.531","0.001","14.1029","0.0012","15.0556","0.0012","90.64","0.004","104.331","0.005","93.532","0.004","2366.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C45.5 H24 Gd2 N3.5 O16 -","- C45.5 H24 Gd2 N3.5 O16 -","- C91 H48 Gd4 N7 O32 -","2","1","","Duan, Lijuan; Zhang, Chengcheng; Cen, Peipei; Jin, Xiaoyong; Liang, Chen; Yang, Jinhui; Liu, Xiangyu","Stable Ln-MOFs as multi-responsive photoluminescence sensors for sensitively sensing Fe3+, Cr2O72-, and nitrofuran","CrystEngComm","2020","","","","","10.1039/C9CE01995B","","","1.54178","CuKα","","0.1045","0.0721","","","0.1454","0.163","","","","","","1.066","","","","has coordinates,has disorder","246991","2020-10-21","18:00:00",""
"7239772","16.1109","0.0005","19.4781","0.0006","15.7553","0.0005","90","","90","","90","","4944.2","0.3","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C51 H50 Cu2 N4 O15 -","- C51 H50 Cu2 N4 O15 -","- C204 H200 Cu8 N16 O60 -","4","0.5","","Liu, Gui-Lei; Song, Jianbiao; Qiu, Qi-Ming; Li, Hui","Syntheses, structures, and magnetic properties of three supramolecular isomeric Cu(II) square grid networks: solvents effect on the ligand linkages","CrystEngComm","2020","","","","","10.1039/C9CE01940E","","","0.71073","MoKα","","0.0708","0.0506","","","0.1461","0.1732","","","","","","1.023","","","","has coordinates","247041","2020-10-21","18:00:00",""
"7239773","15.773","0.003","15.649","0.003","12.824","0.003","90","","109.34","0.03","90","","2986.7","1.2","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H26 Cu N2 O10 -","- C25 H26 Cu N2 O10 -","- C100 H104 Cu4 N8 O40 -","4","0.5","","Liu, Gui-Lei; Song, Jianbiao; Qiu, Qi-Ming; Li, Hui","Syntheses, structures, and magnetic properties of three supramolecular isomeric Cu(II) square grid networks: solvents effect on the ligand linkages","CrystEngComm","2020","","","","","10.1039/C9CE01940E","","","0.71073","MoKα","","0.0741","0.0654","","","0.1944","0.2002","","","","","","1.072","","","","has coordinates,has disorder","247041","2020-10-21","18:00:00",""
"7239774","13.224","0.003","14.236","0.003","12.886","0.003","90","","103.52","0.03","90","","2358.7","1","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cu N2 O5 S -","- C26 H22 Cu N2 O5 S -","- C104 H88 Cu4 N8 O20 S4 -","4","0.5","","Liu, Gui-Lei; Song, Jianbiao; Qiu, Qi-Ming; Li, Hui","Syntheses, structures, and magnetic properties of three supramolecular isomeric Cu(II) square grid networks: solvents effect on the ligand linkages","CrystEngComm","2020","","","","","10.1039/C9CE01940E","","","0.71073","MoKα","","0.0804","0.0642","","","0.1673","0.1776","","","","","","1.082","","","","has coordinates","247041","2020-10-21","18:00:00",""
"7239775","9.4217","0.0005","10.3198","0.0006","13.0913","0.0006","67.835","0.005","71.685","0.005","86.556","0.005","1116.61","0.12","293","","293","","","","","","","","","3","P -1","-P 1","2","","Fc Trip","","- C30 H24 Fe -","- C30 H24 Fe -","- C60 H48 Fe2 -","2","1","","Singh, Ajeet; Torubaev, Yury; Ansari, Shagufi N.; Singh, Sandip K.; Mobin, Shaikh M.; Mathur, Pradeep","The borderline: exploring the structural landscape of triptycene in cocrystallization with ferrocene","CrystEngComm","2020","22","8","1314","1320","10.1039/C9CE01734H","","x-ray","0.71073","MoKα","","0.0733","0.0538","","","0.1391","0.1533","","","","","","1.028","","","","has coordinates","257444","2020-10-21","18:00:00",""
"7239776","13.332","0.0015","13.4018","0.0012","16.138","0.002","95.029","0.009","105.145","0.011","119.521","0.01","2340.2","0.6","298","","298","","","","","","","","","3","P -1","-P 1","2","","FCC2trip","","- C64 H46 Fe2 -","- C64 H46 Fe2 -","- C128 H92 Fe4 -","2","1","","Singh, Ajeet; Torubaev, Yury; Ansari, Shagufi N.; Singh, Sandip K.; Mobin, Shaikh M.; Mathur, Pradeep","The borderline: exploring the structural landscape of triptycene in cocrystallization with ferrocene","CrystEngComm","2020","22","8","1314","1320","10.1039/C9CE01734H","","","0.71073","MoKα","","0.2107","0.0914","","","0.1986","0.2736","","","","","","1.021","","","","has coordinates","257444","2020-10-21","18:00:00",""
"7239777","8.9336","0.0001","8.4105","0.0001","28.5683","0.0004","90","","93.582","0.001","90","","2142.32","0.05","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Cocrystal 4","","- C60 H46 Fe2 -","- C60 H46 Fe2 -","- C120 H92 Fe4 -","2","0.5","","Singh, Ajeet; Torubaev, Yury; Ansari, Shagufi N.; Singh, Sandip K.; Mobin, Shaikh M.; Mathur, Pradeep","The borderline: exploring the structural landscape of triptycene in cocrystallization with ferrocene","CrystEngComm","2020","22","8","1314","1320","10.1039/C9CE01734H","","x-ray","1.54184","CuKα","","0.0497","0.0438","","","0.1287","0.1397","","","","","","1.042","","","","has coordinates","257444","2020-10-21","18:00:00",""
"7239778","9.6767","0.0012","10.3972","0.0012","12.9455","0.0015","70.641","0.01","71.847","0.011","89.794","0.01","1160.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","TripFccho","","- C31 H24 Fe O -","- C31 H24 Fe O -","- C62 H48 Fe2 O2 -","2","1","","Singh, Ajeet; Torubaev, Yury; Ansari, Shagufi N.; Singh, Sandip K.; Mobin, Shaikh M.; Mathur, Pradeep","The borderline: exploring the structural landscape of triptycene in cocrystallization with ferrocene","CrystEngComm","2020","22","8","1314","1320","10.1039/C9CE01734H","","x-ray","0.71073","MoKα","","0.2121","0.1203","","","0.3157","0.3924","","","","","","0.961","","","","has coordinates","257444","2020-10-21","18:00:00",""
"7239779","7.95","0.0004","28.507","0.002","15.5007","0.0008","90","","104.262","0.005","90","","3404.7","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","TripPCPfc","","- C48 H38 Fe -","- C48 H38 Fe -","- C192 H152 Fe4 -","4","1","","Singh, Ajeet; Torubaev, Yury; Ansari, Shagufi N.; Singh, Sandip K.; Mobin, Shaikh M.; Mathur, Pradeep","The borderline: exploring the structural landscape of triptycene in cocrystallization with ferrocene","CrystEngComm","2020","22","8","1314","1320","10.1039/C9CE01734H","","x-ray","1.54184","CuKα","","0.1747","0.1158","","","0.3075","0.3614","","","","","","1.027","","","","has coordinates","257444","2020-10-21","18:00:00",""
"7239780","11.324","0.0009","12.502","0.004","14.398","0.004","90","","90","","90","","2038.4","0.9","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl2 Hg N2 O4 -","- C18 H18 Cl2 Hg N2 O4 -","- C72 H72 Cl8 Hg4 N8 O16 -","4","1","","Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Ferlay, Sylvie; Henry, Marc; Hosseini, Mir Wais","Crystal formation of 1D coordination polymers based on chiral, achiral and racemic 1,2-cyclohexane scaffolds","CrystEngComm","2020","22","10","1746","1753","10.1039/C9CE01781J","","","0.71073","MoKα","","0.0457","0.0321","","","0.0551","0.0588","","","","","","1.015","","","","has coordinates","257431","2020-10-21","18:00:00",""
"7239781","11.6797","0.0013","12.746","0.002","16.331","0.002","90","","100.554","0.01","90","","2390.1","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl5 Hg N2 O4 -","- C19 H19 Cl5 Hg N2 O4 -","- C76 H76 Cl20 Hg4 N8 O16 -","4","1","","Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Ferlay, Sylvie; Henry, Marc; Hosseini, Mir Wais","Crystal formation of 1D coordination polymers based on chiral, achiral and racemic 1,2-cyclohexane scaffolds","CrystEngComm","2020","22","10","1746","1753","10.1039/C9CE01781J","","","0.71073","MoKα","","0.1137","0.0477","","","0.0862","0.1085","","","","","","0.823","","","","has coordinates","257431","2020-10-21","18:00:00",""
"7239782","11.321","0.007","12.502","0.006","14.4","0.02","90","","90","","90","","2038","3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl2 Hg N2 O4 -","- C18 H18 Cl2 Hg N2 O4 -","- C72 H72 Cl8 Hg4 N8 O16 -","4","1","","Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Ferlay, Sylvie; Henry, Marc; Hosseini, Mir Wais","Crystal formation of 1D coordination polymers based on chiral, achiral and racemic 1,2-cyclohexane scaffolds","CrystEngComm","2020","22","10","1746","1753","10.1039/C9CE01781J","","","0.71073","MoKα","","0.0361","0.0287","","","0.0511","0.0532","","","","","","1.024","","","","has coordinates","257431","2020-10-21","18:00:00",""
"7239783","18.3123","0.0007","18.3932","0.0006","5.8857","0.0003","90","","90","","90","","1982.43","0.14","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C18 H18 Cl2 Hg N2 O4 -","- C18 H18 Cl2 Hg N2 O4 -","- C72 H72 Cl8 Hg4 N8 O16 -","4","1","","Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Ferlay, Sylvie; Henry, Marc; Hosseini, Mir Wais","Crystal formation of 1D coordination polymers based on chiral, achiral and racemic 1,2-cyclohexane scaffolds","CrystEngComm","2020","22","10","1746","1753","10.1039/C9CE01781J","","","0.71073","MoKα","","0.0846","0.0614","","","0.1397","0.1454","","","","","","1.22","","","","has coordinates","257431","2020-10-21","18:00:00",""
"7239784","7.594","0.0014","8.5623","0.0016","13.088","0.003","97.266","0.003","95.849","0.003","95.577","0.003","834.5","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Mn N3 O5 -","- C12 H10 Mn N3 O5 -","- C24 H20 Mn2 N6 O10 -","2","1","","Léval, Alexander; Agapova, Anastasiya; Steinlechner, Christoph; Alberico, Elisabetta; Junge, Henrik; Beller, Matthias","Hydrogen production from formic acid catalyzed by a phosphine free manganese complex: investigation and mechanistic insights","Green Chemistry","2020","22","3","913","920","10.1039/C9GC02453K","","","0.71073","MoKα","","0.0384","0.0346","","","0.1035","0.1074","","","","","","1.066","","","","has coordinates","257627","2020-10-21","18:00:00",""
"7239785","7.9845","0.0013","12.118","0.002","14.112","0.002","90","","100.181","0.003","90","","1343.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Br Mn N3 O3 -","- C11 H9 Br Mn N3 O3 -","- C44 H36 Br4 Mn4 N12 O12 -","4","1","","Léval, Alexander; Agapova, Anastasiya; Steinlechner, Christoph; Alberico, Elisabetta; Junge, Henrik; Beller, Matthias","Hydrogen production from formic acid catalyzed by a phosphine free manganese complex: investigation and mechanistic insights","Green Chemistry","2020","22","3","913","920","10.1039/C9GC02453K","","","0.71073","MoKα","","0.0239","0.0201","","","0.0507","0.0525","","","","","","1.049","","","","has coordinates","257627","2020-10-21","18:00:00",""
"7239786","28.1541","0.0009","7.891","0.0003","17.6912","0.0006","90","","106.211","0.001","90","","3774.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N4 Pt -","- C24 H18 N4 Pt -","- C192 H144 N32 Pt8 -","8","2","","Föller, Jelena; Friese, Daniel H.; Riese, Stefan; Kaminski, Jeremy M.; Metz, Simon; Schmidt, David; Würthner, Frank; Lambert, Christoph; Marian, Christel M.","On the photophysical properties of Ir<sup>III</sup>, Pt<sup>II</sup>, and Pd<sup>II</sup> (phenylpyrazole) (phenyldipyrrin) complexes.","Physical chemistry chemical physics : PCCP","2020","22","6","3217","3233","10.1039/c9cp05603c","","","1.54178","CuKα","","0.0525","0.0474","","","0.0982","0.1005","","","","","","1.203","","","","has coordinates","249053","2020-10-21","18:00:00",""
"7239787","12.6868","0.0004","18.9392","0.0006","9.8058","0.0003","90","","108.94","0.001","90","","2228.55","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Cl2 N4 Pd -","- C25 H20 Cl2 N4 Pd -","- C100 H80 Cl8 N16 Pd4 -","4","1","","Föller, Jelena; Friese, Daniel H.; Riese, Stefan; Kaminski, Jeremy M.; Metz, Simon; Schmidt, David; Würthner, Frank; Lambert, Christoph; Marian, Christel M.","On the photophysical properties of Ir<sup>III</sup>, Pt<sup>II</sup>, and Pd<sup>II</sup> (phenylpyrazole) (phenyldipyrrin) complexes.","Physical chemistry chemical physics : PCCP","2020","22","6","3217","3233","10.1039/c9cp05603c","","","1.54178","CuKα","","0.0348","0.0345","","","0.0932","0.0935","","","","","","1.117","","","","has coordinates","249053","2020-10-21","18:00:00",""
"7239788","9.5858","0.0003","18.8852","0.0006","10.9389","0.0004","90","","115.184","0.001","90","","1792.03","0.1","100","2","99.96","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 F6 N16 O10 -","- C26 H38 F6 N16 O10 -","- C52 H76 F12 N32 O20 -","2","0.5","","Sharma, Vishal R.; Mehmood, Arshad; Janesko, Benjamin G.; Simanek, Eric E.","Efficient syntheses of macrocycles ranging from 22‒28 atoms through spontaneous dimerization to yield bis-hydrazones","RSC Advances","2020","10","6","3217","3220","10.1039/C9RA08056B","","","0.71073","MoKα","","0.0631","0.0473","","","0.1096","0.1179","","","","","","1.017","","","","has coordinates","258056","2020-10-21","18:00:00",""
"7239789","24.515","0.01","8.492","0.004","25.298","0.01","90","","119.248","0.012","90","","4595","3","100","2","100.13","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H27 F3 N8 O6 -","- C16 H27 F3 N8 O6 -","- C128 H216 F24 N64 O48 -","8","2","","Sharma, Vishal R.; Mehmood, Arshad; Janesko, Benjamin G.; Simanek, Eric E.","Efficient syntheses of macrocycles ranging from 22‒28 atoms through spontaneous dimerization to yield bis-hydrazones","RSC Advances","2020","10","6","3217","3220","10.1039/C9RA08056B","","","0.71073","MoKα","","0.068","0.0536","","","0.1309","0.1421","","","","","","1.049","","","","has coordinates","258056","2020-10-21","18:00:00",""
"7239790","21.754","0.003","13.7241","0.0016","15.904","0.002","90","","100.156","0.003","90","","4673.8","1","100","2","100.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H23 F3 N8 O6 -","- C14 H23 F3 N8 O6 -","- C112 H184 F24 N64 O48 -","8","1","","Sharma, Vishal R.; Mehmood, Arshad; Janesko, Benjamin G.; Simanek, Eric E.","Efficient syntheses of macrocycles ranging from 22‒28 atoms through spontaneous dimerization to yield bis-hydrazones","RSC Advances","2020","10","6","3217","3220","10.1039/C9RA08056B","","","0.71073","MoKα","","0.0987","0.0841","","","0.223","0.2405","","","","","","1.029","","","","has coordinates","258056","2020-10-21","18:00:00",""
"7239791","8.3279","0.0004","15.8912","0.0009","16.9567","0.0009","98.047","0.002","96.401","0.002","98.061","0.002","2180.2","0.2","100","2","100.05","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H54 F6 N16 O11 -","- C33 H54 F6 N16 O11 -","- C66 H108 F12 N32 O22 -","2","1","","Sharma, Vishal R.; Mehmood, Arshad; Janesko, Benjamin G.; Simanek, Eric E.","Efficient syntheses of macrocycles ranging from 22‒28 atoms through spontaneous dimerization to yield bis-hydrazones","RSC Advances","2020","10","6","3217","3220","10.1039/C9RA08056B","","","0.71073","MoKα","","0.093","0.0822","","","0.2209","0.2303","","","","","","1.079","","","","has coordinates,has disorder","258056","2020-10-21","18:00:00",""
"7239792","10.022","0.0003","13.0296","0.0004","18.2777","0.0005","102.894","0.001","95.754","0.001","103.889","0.001","2228.51","0.11","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H56 F6 N16 O11 -","- C34 H56 F6 N16 O11 -","- C68 H112 F12 N32 O22 -","2","1","","Sharma, Vishal R.; Mehmood, Arshad; Janesko, Benjamin G.; Simanek, Eric E.","Efficient syntheses of macrocycles ranging from 22‒28 atoms through spontaneous dimerization to yield bis-hydrazones","RSC Advances","2020","10","6","3217","3220","10.1039/C9RA08056B","","","0.71073","MoKα","","0.0945","0.0793","","","0.2154","0.2318","","","","","","1.034","","","","has coordinates","258056","2020-10-21","18:00:00",""
"7239793","11.9118","0.0006","11.9118","0.0006","10.959","0.0007","90","","90","","120","","1346.65","0.13","294","","294","1","","","","","","","","3","P 63/m c m","-P 6c 2","193","1,3-Adamantanediol","","","- C10 H16 O2 -","- C10 H16 O2 -","- C60 H96 O12 -","6","0.25","","Négrier, Philippe; Ben Hassine, Bacem; Barrio, Maria; Romanini, Michela; MONDIEIG, DENISE; Tamarit, Josep Lluis","Polymorphism of 1,3-X-adamantanes (X=Br, OH, CH3) and the crystal plastic phase formation ability","CrystEngComm","2020","","","","","10.1039/C9CE01910C","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","247068","2020-10-21","18:00:00",""
"7239794","14.9792","0.0009","9.7677","0.0006","7.2734","0.0005","90","","90","","90","","1064.19","0.12","294","1","294","1","","","","","","","","3","P n m a","-P 2ac 2n","62","1,3-dibromoAdamantane","","","- C10 H14 Br2 -","- C10 H14 Br2 -","- C40 H56 Br8 -","4","0.5","","Négrier, Philippe; Ben Hassine, Bacem; Barrio, Maria; Romanini, Michela; MONDIEIG, DENISE; Tamarit, Josep Lluis","Polymorphism of 1,3-X-adamantanes (X=Br, OH, CH3) and the crystal plastic phase formation ability","CrystEngComm","2020","","","","","10.1039/C9CE01910C","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","247069","2020-10-21","18:00:00",""
"7239795","7.7576","0.0018","12.0856","0.0002","11.7068","0.0019","90","","112.271","0.012","90","","1015.7","0.3","120","1","120","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","1,3-dimethyAdamantane","","","- C12 H20 -","- C12 H20 -","- C48 H80 -","4","1","","Négrier, Philippe; Ben Hassine, Bacem; Barrio, Maria; Romanini, Michela; MONDIEIG, DENISE; Tamarit, Josep Lluis","Polymorphism of 1,3-X-adamantanes (X=Br, OH, CH3) and the crystal plastic phase formation ability","CrystEngComm","2020","","","","","10.1039/C9CE01910C","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","247070","2020-10-21","18:00:00",""
"7239796","5.6","0.0005","7.2286","0.0006","8.4078","0.0008","109.17","0.008","93.81","0.007","103.285","0.007","309.12","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H5 N3 O4 -","- C4 H5 N3 O4 -","- C8 H10 N6 O8 -","2","1","","Widelicka, Małgorzata; Ławniczak, Paweł; Pietraszko, Adam; Pogorzelec-Glaser, Katarzyna; Łapiński, Andrzej","Investigation of the thermal and conductive properties of oxalic acid salts with planar and undulating proton-conducting layers","CrystEngComm","2020","22","11","2031","2041","10.1039/C9CE01397K","","","0.71073","MoKα","","0.0828","0.0465","","","0.1068","0.1261","","","","","","1.112","","","","has coordinates","257486","2020-10-21","18:00:00",""
"7239797","5.7832","0.0005","7.7601","0.0007","12.0835","0.0011","77.499","0.002","78.664","0.002","73.377","0.002","502.02","0.08","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N4 Se2 -","- C22 H18 N4 Se2 -","- C22 H18 N4 Se2 -","1","0.5","","Kumar, Vijith; Xu, Yijue; Leroy, César; Bryce, David L.","Direct investigation of chalcogen bonds by multinuclear solid-state magnetic resonance and vibrational spectroscopy.","Physical chemistry chemical physics : PCCP","2020","22","7","3817","3824","10.1039/c9cp06267j","","x-ray","0.71073","MoKα","","0.0389","0.0269","","","0.0599","0.0619","","","","","","1.01","","","","has coordinates","249055","2020-10-21","18:00:00",""
"7239798","5.7217","0.0007","14.197","0.002","25.666","0.003","90","","92.162","0.005","90","","2083.4","0.5","200","2","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N4 Se2 -","- C22 H18 N4 Se2 -","- C88 H72 N16 Se8 -","4","0.5","","Kumar, Vijith; Xu, Yijue; Leroy, César; Bryce, David L.","Direct investigation of chalcogen bonds by multinuclear solid-state magnetic resonance and vibrational spectroscopy.","Physical chemistry chemical physics : PCCP","2020","22","7","3817","3824","10.1039/c9cp06267j","","x-ray","0.71073","MoKα","","0.092","0.0467","","","0.1116","0.1266","","","","","","1.035","","","","has coordinates,has disorder","249055","2020-10-21","18:00:00",""
"7239799","6.031","0.004","16.042","0.011","8.787","0.007","90","","95.82","0.02","90","","845.8","1.1","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N Te -","- C8 H7 N Te -","- C32 H28 N4 Te4 -","4","1","","Kumar, Vijith; Xu, Yijue; Leroy, César; Bryce, David L.","Direct investigation of chalcogen bonds by multinuclear solid-state magnetic resonance and vibrational spectroscopy.","Physical chemistry chemical physics : PCCP","2020","22","7","3817","3824","10.1039/c9cp06267j","","x-ray","0.71073","MoKα","","0.0241","0.019","","","0.041","0.0424","","","","","","1.158","","","","has coordinates,has disorder","249055","2020-10-21","18:00:00",""
"7239800","18.7428","0.0008","18.7428","0.0008","24.915","0.002","90","","90","","120","","7579.8","0.8","173","2","173.15","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C46 H55 N10 O15 Zn2 -","- C16 H10 O10 Zn2 -","- C144 H90 O90 Zn18 -","9","0.25","","Li, Qipeng; Qian, Jinjie; Du, Lin; Zhao, Qihua","Zinc-tetracarboxylate framework material with nano-cages and one-dimensional channels for excellent selective and effective adsorption of methyl blue dye","RSC Advances","2020","10","6","3539","3543","10.1039/C9RA08983G","","","0.71073","MoKα","","0.0359","0.0352","","","0.0873","0.0878","","","","","","1.062","","","","has coordinates","258052","2020-10-21","18:00:00",""
"7239801","28.128","0.004","15.312","0.002","14.6773","0.0019","90","","110.18","0.004","90","","5933.4","1.4","100","","100","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H52 N2 Si3 -","- C25 H52 N2 Si3 -","- C200 H416 N16 Si24 -","8","1","","Holzner, Richard; Reiter, Dominik; Frisch, Philipp; Inoue, Shigeyoshi","DMAP-stabilized bis(silyl)silylenes as versatile synthons for organosilicon compounds","RSC Advances","2020","10","6","3402","3406","10.1039/C9RA10628F","","x-ray","0.71073","MoKα","","0.1445","0.1217","","","0.2651","0.278","","","","","","1.172","","","","has coordinates,has disorder","258055","2020-10-21","18:00:00",""
"7239802","20.678","0.007","12.877","0.005","17.566","0.01","90","","120.067","0.01","90","","4048","3","100","","100","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H70 K Si3 -","- C38 H70 K Si3 -","- C152 H280 K4 Si12 -","4","0.5","","Holzner, Richard; Reiter, Dominik; Frisch, Philipp; Inoue, Shigeyoshi","DMAP-stabilized bis(silyl)silylenes as versatile synthons for organosilicon compounds","RSC Advances","2020","10","6","3402","3406","10.1039/C9RA10628F","","x-ray","0.71073","MoKα","","0.0341","0.0305","","","0.0855","0.0886","","","","","","1.04","","","","has coordinates","258055","2020-10-21","18:00:00",""
"7239803","11.977","0.0013","16.9418","0.0017","28.631","0.003","90","","90","","90","","5809.6","1.1","100","","100","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C25 H52 N2 Si3 -","- C25 H52 N2 Si3 -","- C200 H416 N16 Si24 -","8","1","","Holzner, Richard; Reiter, Dominik; Frisch, Philipp; Inoue, Shigeyoshi","DMAP-stabilized bis(silyl)silylenes as versatile synthons for organosilicon compounds","RSC Advances","2020","10","6","3402","3406","10.1039/C9RA10628F","","x-ray","0.71073","MoKα","","0.0334","0.0289","","","0.0771","0.0802","","","","","","1.045","","","","has coordinates","258055","2020-10-21","18:00:00",""
"7239804","11.515","0.009","11.94","0.009","16.1","0.007","97.728","0.017","92.844","0.018","104.175","0.019","2119","2","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C31 H73 N3 Si7 -","- C31 H73 N3 Si7 -","- C62 H146 N6 Si14 -","2","1","","Holzner, Richard; Reiter, Dominik; Frisch, Philipp; Inoue, Shigeyoshi","DMAP-stabilized bis(silyl)silylenes as versatile synthons for organosilicon compounds","RSC Advances","2020","10","6","3402","3406","10.1039/C9RA10628F","","x-ray","0.71073","MoKα","","0.0439","0.0402","","","0.0992","0.1016","","","","","","1.123","","","","has coordinates","258055","2020-10-21","18:00:00",""
"7239805","14.2747","0.0019","6.4197","0.0009","14.897","0.002","90","","105.303","0.009","90","","1316.7","0.3","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O6 -","- C30 H46 O6 -","- C60 H92 O12 -","2","1","","Wan, Jiang; Zang, Yi; Xiao, Dao-An; Li, Na; Li, Junmin; Jin, Ze-Xin; Chen, De-Lei; Xiong, Juan; Li, Jia; Hu, Jin-Feng","Stewartiacids A‒N, C-23 carboxylated triterpenoids from Chinese Stewartia and their inhibitory effects against ATP-citrate lyase and NF-κB","RSC Advances","2020","10","6","3343","3356","10.1039/C9RA09542J","","","1.34139","GaKα","","0.0866","0.0683","","","0.1556","0.1718","","","","","","1.061","","","","has coordinates","258054","2020-10-21","18:00:00",""
"7239806","8.0649","0.0006","11.3973","0.0008","32.416","0.002","90","","90","","90","","2979.6","0.4","170","2","169.98","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O9 -","- C30 H50 O9 -","- C120 H200 O36 -","4","1","","Wan, Jiang; Zang, Yi; Xiao, Dao-An; Li, Na; Li, Junmin; Jin, Ze-Xin; Chen, De-Lei; Xiong, Juan; Li, Jia; Hu, Jin-Feng","Stewartiacids A‒N, C-23 carboxylated triterpenoids from Chinese Stewartia and their inhibitory effects against ATP-citrate lyase and NF-κB","RSC Advances","2020","10","6","3343","3356","10.1039/C9RA09542J","","","1.34139","GaKα","","0.1371","0.0949","","","0.2521","0.2937","","","","","","1.031","","","","has coordinates","258054","2020-10-21","18:00:00",""
"7239807","13.9664","0.0004","6.5552","0.0002","15.1284","0.0005","90","","104.366","0.002","90","","1341.73","0.07","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O6 -","- C30 H46 O6 -","- C60 H92 O12 -","2","1","","Wan, Jiang; Zang, Yi; Xiao, Dao-An; Li, Na; Li, Junmin; Jin, Ze-Xin; Chen, De-Lei; Xiong, Juan; Li, Jia; Hu, Jin-Feng","Stewartiacids A‒N, C-23 carboxylated triterpenoids from Chinese Stewartia and their inhibitory effects against ATP-citrate lyase and NF-κB","RSC Advances","2020","10","6","3343","3356","10.1039/C9RA09542J","","","1.34139","GaKα","","0.0595","0.0534","","","0.1558","0.1613","","","","","","1.038","","","","has coordinates","258054","2020-10-21","18:00:00",""
"7239808","30.922","0.0006","13.9294","0.0003","14.7361","0.0003","90","","107.917","0.001","90","","6039.4","0.2","170","2","169.98","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C31 H52 O7 -","- C31 H52 O7 -","- C248 H416 O56 -","8","2","","Wan, Jiang; Zang, Yi; Xiao, Dao-An; Li, Na; Li, Junmin; Jin, Ze-Xin; Chen, De-Lei; Xiong, Juan; Li, Jia; Hu, Jin-Feng","Stewartiacids A‒N, C-23 carboxylated triterpenoids from Chinese Stewartia and their inhibitory effects against ATP-citrate lyase and NF-κB","RSC Advances","2020","10","6","3343","3356","10.1039/C9RA09542J","","","1.34139","GaKα","","0.0955","0.0875","","","0.2556","0.2669","","","","","","1.038","","","","has coordinates","258054","2020-10-21","18:00:00",""
"7239809","18.0826","0.0012","13.3216","0.0009","21.9623","0.0015","90","","90","","90","","5290.5","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C45 H39 La2 N9 O15 -","- C45 H39 La2 N9 O15 -","- C180 H156 La8 N36 O60 -","4","1","","Tshuma, Piwai; Makhubela, Banothile C. E.; Öhrström, Lars; Bourne, Susan A.; Chatterjee, Nabanita; Beas, Isaac N.; Darkwa, James; Mehlana, Gift","Cyclometalation of lanthanum(iii) based MOF for catalytic hydrogenation of carbon dioxide to formate","RSC Advances","2020","10","6","3593","3605","10.1039/C9RA09938G","","","0.71073","MoKα","","0.081","0.0542","","","0.1371","0.1532","","","","","","1.035","","","","has coordinates,has disorder","258053","2020-10-21","18:00:00",""
"7239810","24.322","0.003","24.322","0.003","21.069","0.003","90","","90","","120","","10794","2","110","2","110","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C168 H102 Cu6 N32 O24 -","- C168 H102 Cu6 N31.44 O24.78 -","- C504 H306 Cu18 N94.32 O74.34 -","3","0.166667","","Hossain, Sayed Muktar; Prakash, Ved; Mamidi, Prabhudutta; Chattopadhyay, Soma; Singh, Akhilesh Kumar","Pyrene-appended bipyridine hydrazone ligand as a turn-on sensor for Cu2+ and its bioimaging application","RSC Advances","2020","10","7","3646","3658","10.1039/C9RA09376A","","","1.54178","CuKα","","0.1435","0.076","","","0.1951","0.2487","","","","","","1.013","","","","has coordinates,has disorder","258091","2020-10-21","18:00:00",""
"7239811","9.1672","0.0004","9.2117","0.0005","14.89","0.0008","86.026","0.003","72.591","0.002","65.538","0.002","1089.94","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N6 O2 S -","- C22 H24 N6 O2 S -","- C44 H48 N12 O4 S2 -","2","1","","Sarmah, Kashyap Kumar; Nath, Nilamoni; Rao, Dharmaraj R.; Thakuria, Ranjit","Mechanochemical synthesis of drug‒drug and drug‒nutraceutical multicomponent solids of olanzapine","CrystEngComm","2020","22","6","1120","1130","10.1039/C9CE01504C","","","0.71073","MoKα","","0.0538","0.0419","","","0.1295","0.156","","","","","","1.097","","","","has coordinates","257473","2020-10-21","18:00:00",""
"7239812","9.5404","0.0007","13.9656","0.0009","18.1238","0.0012","90","","102.142","0.003","90","","2360.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N4 O5 S -","- C24 H26 N4 O5 S -","- C96 H104 N16 O20 S4 -","4","1","","Sarmah, Kashyap Kumar; Nath, Nilamoni; Rao, Dharmaraj R.; Thakuria, Ranjit","Mechanochemical synthesis of drug‒drug and drug‒nutraceutical multicomponent solids of olanzapine","CrystEngComm","2020","22","6","1120","1130","10.1039/C9CE01504C","","","0.71073","MoKα","","0.0732","0.0463","","","0.1163","0.1318","","","","","","1.047","","","","has coordinates","257473","2020-10-21","18:00:00",""
"7239813","11.973","0.0005","18.2134","0.0007","11.9964","0.0004","90","","96.699","0.002","90","","2598.18","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N4 O7 S -","- C24 H30 N4 O7 S -","- C96 H120 N16 O28 S4 -","4","1","","Sarmah, Kashyap Kumar; Nath, Nilamoni; Rao, Dharmaraj R.; Thakuria, Ranjit","Mechanochemical synthesis of drug‒drug and drug‒nutraceutical multicomponent solids of olanzapine","CrystEngComm","2020","22","6","1120","1130","10.1039/C9CE01504C","","","0.71073","MoKα","","0.0895","0.0618","","","0.1489","0.1613","","","","","","1.208","","","","has coordinates","257473","2020-10-21","18:00:00",""
"7239814","9.9166","0.001","13.3673","0.0014","23.035","0.002","90","","97.163","0.005","90","","3029.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N4 O9 S -","- C28 H32 N4 O9 S -","- C112 H128 N16 O36 S4 -","4","1","","Sarmah, Kashyap Kumar; Nath, Nilamoni; Rao, Dharmaraj R.; Thakuria, Ranjit","Mechanochemical synthesis of drug‒drug and drug‒nutraceutical multicomponent solids of olanzapine","CrystEngComm","2020","22","6","1120","1130","10.1039/C9CE01504C","","","0.71073","MoKα","","0.1234","0.0781","","","0.2347","0.2804","","","","","","1.038","","","","has coordinates","257473","2020-10-21","18:00:00",""
"7239815","18.805","0.005","15.975","0.004","27.184","0.006","90","0.02","92.65","0.02","90","0.02","8158","3","293","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","adamantan-1-aminium trinitrophloroglucinolate hydrate ethanol solvate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) hydrate ethanol solvate","","- C74 H114 N12 O20 -","- C74 H114 N12 O20 -","- C296 H456 N48 O80 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.2689","0.1475","","","0.3586","0.4628","","","","","","1.159","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239816","14.445","0.005","17.013","0.0019","15.845","0.004","90","","108.81","0.04","90","","3686","1.9","293","2","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","adamantan-1-aminium hydrogentrinitrophloroglucinolate tetrahydrofurane solvate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) tetrahydrofurane solvate","","- C34 H53 N5 O11 -","- C34 H53 N5 O11 -","- C136 H212 N20 O44 -","4","0.5","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.3257","0.1303","","","0.2939","0.3522","","","","","","1.365","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239817","14.4004","0.0012","16.1041","0.0009","18.7528","0.001","90","","105.42","0.007","90","","4192.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","adamantan-1-aminium trinitrophloroglucinolate hydrate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) hydrate","","- C36 H54 N6 O11 -","- C36 H54 N6 O11 -","- C144 H216 N24 O44 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.2051","0.1146","","","0.3129","0.3805","","","","","","1.046","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239818","18.9589","0.0006","16.0224","0.0007","26.5928","0.0013","90","","93.164","0.004","90","","8065.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","adamantan-1-aminium trinitrophloroglucinolate hydrate methanol solvate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) hydrate methanol solvate","","- C73 H114 N12 O20 -","- C73 H114 N12 O20 -","- C292 H456 N48 O80 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.2384","0.1103","","","0.2936","0.3772","","","","","","0.971","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239819","11.1478","0.0003","22.3581","0.0008","29.9866","0.0012","90","","90","","90","","7474","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","adamantan-1-aminium dihydrogentrinitrophloroglucinolate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate)","","- C16 H20 N4 O9 -","- C16 H20 N4 O9 -","- C256 H320 N64 O144 -","16","2","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.0963","0.0648","","","0.1527","0.1699","","","","","","1.044","","","","has coordinates","247175","2020-10-21","18:00:00",""
"7239820","18.37","0.003","16.06","0.002","27.34","0.003","90","","90","","90","","8065.9","1.9","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","adamantan-1-aminium trinitrophloroglucinolate bis(2,2,2-trifluoroethanol) solvate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) bis(2,2,2-trifluoroethanol) solvate","","- C76 H114 F6 N12 O20 -","- C76 H114 F6 N12 O19.9998 -","- C304 H456 F24 N48 O79.9992 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.3572","0.1129","","","0.2217","0.3249","","","","","","0.909","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239821","11.5708","0.0006","14.8651","0.0009","17.1263","0.0008","101.65","0.004","108.206","0.005","107.592","0.005","2520.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H76 N6 O14 S3 -","- C42 H76 N6 O14 S3 -","- C84 H152 N12 O28 S6 -","2","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.1231","0.0817","","","0.1982","0.2257","","","","","","1.022","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239822","16.1105","0.0014","26.198","0.003","35.156","0.005","90","","90","","90","","14838","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","adamantan-1-aminium hydrogentrinitrophloroglucinolate trinitrophloroglucinolate hydrate methanol solvate","adamantan-1-aminium 5-hydroxy-2,4,6-trinitrobenzene-1,3-bis(olate) trinitrobenzene-1,3,5-tris(olate) hydrate methanol solvate","","- C66 H106 N11 O23 -","- C66 H106 N11 O23 -","- C528 H848 N88 O184 -","8","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.4225","0.1872","","","0.2621","0.3583","","","","","","1.024","","","","has coordinates","247175","2020-10-21","18:00:00",""
"7239823","12.7841","0.0009","6.8465","0.0004","21.4945","0.0014","90","","105.996","0.007","90","","1808.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","adamantan-1-aminium picrate monohydrate","adamantan-1-aminium 2,4,6-trinitrobenzen-1-olate monohydrate","","- C16 H22 N4 O8 -","- C16 H22 N4 O8 -","- C64 H88 N16 O32 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.151","0.0862","","","0.1759","0.2078","","","","","","1.057","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239824","18.4656","0.0011","16.0811","0.0011","27.4522","0.0018","90","","90","","90","","8151.9","0.9","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","adamantan-1-aminium trinitrophloroglucinolate propan-1-ol solvate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) propan-1-ol solvate","","- C78 H124 N12 O20 -","- C78 H124 N12 O20 -","- C312 H496 N48 O80 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.2896","0.0902","","","0.1471","0.2101","","","","","","0.929","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239825","14.2574","0.0009","17.0725","0.0007","15.864","0.0009","90","","113.279","0.007","90","","3547.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","adamantan-1-aminium picrate monohydrate","adamantan-1-aminium 2,4,6-trinitrobenzen-1-olate monohydrate","","- C30 H49 N5 O10 S2 -","- C30 H49 N5 O10 S2 -","- C120 H196 N20 O40 S8 -","4","0.5","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.081","0.0592","","","0.1481","0.1622","","","","","","1.041","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239826","17.5039","0.0007","18.8674","0.0006","20.3861","0.0007","90","","103.005","0.004","90","","6559.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","adamantan-1-aminium hidrohentrinitrophloroglucinolate 2,2,2-trifluoroethanol solvate","adamantan-1-aminium 5-hydroxytrinitrobenzene-1,3-bis(olate) 2,2,2-trifluoroethanol solvate","","- C56 H78 F6 N10 O20 -","- C56 H78 F6 N10 O20 -","- C224 H312 F24 N40 O80 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.175","0.1245","","","0.3587","0.3987","","","","","","1.405","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239827","10.2615","0.0007","17.7734","0.001","8.8411","0.0007","90","","113.363","0.008","90","","1480.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","methyl-1-aminium trinitrophloroglucinolate","methyl-1-aminium trinitrobenzene-1,3,5-tris(olate)","","- C6 H12 N4 O6 -","- C6 H12 N4 O6 -","- C36 H72 N24 O36 -","6","1.5","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.0594","0.0443","","","0.1133","0.1227","","","","","","1.035","","","","has coordinates","247175","2020-10-21","18:00:00",""
"7239828","21.8759","0.0013","16.7522","0.0008","15.7197","0.001","90","","110.086","0.007","90","","5410.4","0.6","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tertbutylaminium trinitrophloroglucinolate hydrate methanol solvate","2-methylpropyl-2-aminium trinitrobenzene-1,3,5-tris(olate) hydrate methanol solvate","","- C37 H82 N12 O22 -","- C37 H82 N12 O22 -","- C148 H328 N48 O88 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.2168","0.1141","","","0.1863","0.2264","","","","","","1.089","","","","has coordinates","247175","2020-10-21","18:00:00",""
"7239829","8.5713","0.0006","31.375","0.002","11.2567","0.0008","90","","105.525","0.002","90","","2916.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H43 N O8 -","- C30 H43 N O8 -","- C120 H172 N4 O32 -","4","2","","Yu, Kun; Yang, Xinmei; Li, Ying; Cui, Xue; Liu, Bo; Yao, Qingqiang","Synthesis of cucurbitacin IIa derivatives with apoptosis-inducing capabilities in human cancer cells","RSC Advances","2020","10","7","3872","3881","10.1039/C9RA09113K","","","1.34139","GaKα","","0.0379","0.0354","","","0.0909","0.0931","","","","","","1.013","","","","has coordinates","258090","2020-10-21","18:00:00",""
"7239830","10.8304","0.0003","15.9589","0.0004","21.2922","0.0005","90","","90","","90","","3680.17","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H47 N3 O9 -","- C36 H47 N3 O9 -","- C144 H188 N12 O36 -","4","1","","Yu, Kun; Yang, Xinmei; Li, Ying; Cui, Xue; Liu, Bo; Yao, Qingqiang","Synthesis of cucurbitacin IIa derivatives with apoptosis-inducing capabilities in human cancer cells","RSC Advances","2020","10","7","3872","3881","10.1039/C9RA09113K","","","1.54178","CuKα","","0.0441","0.0434","","","0.1158","0.1166","","","","","","1.062","","","","has coordinates","258090","2020-10-21","18:00:00",""
"7239831","4.7849","0.0005","5.3125","0.0005","17.3017","0.0015","83.212","0.008","87.407","0.007","85.031","0.008","434.81","0.07","120.01","0.1","120.01","0.1","","","","","","","","4","P 1","P 1","1","","","","- C16 H23 N3 O6 -","- C16 H23 N3 O6 -","- C16 H23 N3 O6 -","1","1","","Mattsson, Ida; Sitdikov, Ruzal; Gunell, Andreas C. M.; Lahtinen, Manu; Saloranta-Simell, Tiina; Leino, Reko","Improved synthesis and application of conjugation-amenable polyols from d-mannose","RSC Advances","2020","10","7","3960","3966","10.1039/C9RA10378C","","x-ray","1.54184","CuKα","","0.0437","0.0365","","","0.0882","0.0922","","","","","","1.055","","","","has coordinates,has disorder","258092","2020-10-21","18:00:00",""
"7239832","9.7503","0.0005","18.6569","0.0011","19.6036","0.0011","65.086","0.002","76.413","0.002","80.311","0.002","3134","0.3","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","N,N-diphenyl-4""-(1-phenyl-1H-benzo[d]imidazole-2-yl)-[1,1':3',1""-terphenyl]-4-amine","","- C1.87 H1.35 N0.13 -","- C1.86957 H1.34783 N0.130435 -","- C172 H124 N12 -","92","46","","Kim, Min-Ji; Ahn, Mina; Shim, Jun Ho; Wee, Kyung-Ryang","Terphenyl backbone-based donor-π-acceptor dyads: geometric isomer effects on intramolecular charge transfer.","Physical chemistry chemical physics : PCCP","2020","22","6","3370","3378","10.1039/c9cp06466d","","","0.71073","MoKα","","0.1211","0.052","","","0.1122","0.1573","","","","","","1.052","","","","has coordinates","249054","2020-10-21","18:00:00",""
"7239833","11.5837","0.0012","11.636","0.001","14.9736","0.0015","84.127","0.008","69.621","0.009","81.635","0.008","1868.9","0.3","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H46 N2 S4 Sn2 -","- C34 H46 N2 S4 Sn2 -","- C68 H92 N4 S8 Sn4 -","2","1","","Kumar, Abhinav; Singh, Pooja; SINGH, AMITA; Singh, Ayushi; Singh, Ashish; Kociok-Kohn, Gabriele; Alowais, Ahmad; Abduh, Naaser A. Y.; Muddassir, Mohd.","New 1D Diorganotin(IV) Dithiolate Coordination Polymers: Crystallographic, Computational, Hirshfeld Surface and Thermal Analyses","CrystEngComm","2020","","","","","10.1039/C9CE01917K","","x-ray","0.71073","MoKα","","0.1152","0.0765","","","0.1717","0.2054","","","","","","1.066","","","","has coordinates","247276","2020-10-21","18:00:00",""
"7239834","12.7459","0.0003","10.8694","0.0002","18.1443","0.0004","90","","90","","90","","2513.72","0.09","150","2","150","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H22 N2 S4 Sn2 -","- C22 H22 N2 S4 Sn2 -","- C88 H88 N8 S16 Sn8 -","4","1","","Kumar, Abhinav; Singh, Pooja; SINGH, AMITA; Singh, Ayushi; Singh, Ashish; Kociok-Kohn, Gabriele; Alowais, Ahmad; Abduh, Naaser A. Y.; Muddassir, Mohd.","New 1D Diorganotin(IV) Dithiolate Coordination Polymers: Crystallographic, Computational, Hirshfeld Surface and Thermal Analyses","CrystEngComm","2020","","","","","10.1039/C9CE01917K","","x-ray","0.71073","MoKα","","0.034","0.031","","","0.0745","0.0761","","","","","","1.09","","","","has coordinates","247276","2020-10-21","18:00:00",""
"7239835","8.6772","0.0008","9.0145","0.0009","9.9691","0.0009","110.22","0.004","107.146","0.003","97.596","0.002","674.97","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 F N2 S -","- C15 H13 F N2 S -","- C30 H26 F2 N4 S2 -","2","1","","Wen, Jiangwei; Niu, Cong; Yan, Kelu; Cheng, Xingda; Gong, Ruike; Li, Mengqian; Guo, Yongqiang; Yang, Jianjing; Wang, Hua","Electrochemical-induced regioselective C-3 thiomethylation of imidazopyridines via a three-component cross-coupling strategy","Green Chemistry","2020","22","4","1129","1133","10.1039/C9GC04068D","","","0.71073","MoKα","","0.0578","0.0427","","","0.1159","0.1272","","","","","","1.06","","","","has coordinates","257587","2020-10-21","18:00:00",""
"7239836","8.3178","0.0002","8.9144","0.0002","8.987","0.0003","64.183","0.003","86.148","0.002","78.931","0.002","588.6","0.03","299.6","0.3","299.6","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C6 H16 N2 O7 P2 Zn -","- C6 H16 N2 O7 P2 Zn -","- C12 H32 N4 O14 P4 Zn2 -","2","1","","Zhou, Shufang; wu, guomei; Lin, Tian; Zhang, Chenxi; Wang, Qing-Lun","A dual-function metal phosphate for high proton conduction and selective luminescence turn-on sensing of Co2+ ions","CrystEngComm","2020","","","","","10.1039/C9CE02031D","","x-ray","1.54184","CuKα","","0.0326","0.0304","","","0.0841","0.0853","","","","","","1.104","","","","has coordinates","247330","2020-10-21","18:00:00",""
"7239837","11.2742","0.0003","15.1845","0.0005","21.7739","0.0008","90","","96.828","0.003","90","","3701.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 Dy2 N7 O14 -","- C33 H35 Dy2 N7 O14 -","- C132 H140 Dy8 N28 O56 -","4","1","","Zhang, Sheng; shen, nan; liu, sha; Ma, Rong; Zhang, Yi-Quan; Hu, Dengwei; Liu, Xiangyu; Zhang, Jiangwei; Yang, Desuo","The Rare CH3O-/CH3CH2O‒Bridged Nine-Coordinated Binuclear DyIII Single-Molecule Magnets (SMMs) Significantly Regulate and Enhance the Effective Energy Barriers","CrystEngComm","2020","","","","","10.1039/C9CE02000D","","x-ray","1.54184","CuKα","","0.0731","0.0496","","","0.117","0.13","","","","","","1.03","","","","has coordinates","247362","2020-10-21","18:00:00",""
"7239838","11.3326","0.0004","15.5518","0.0006","21.8107","0.0008","90","","97.484","0.003","90","","3811.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H37 Dy2 N7 O14 -","- C34 H37 Dy2 N7 O14 -","- C136 H148 Dy8 N28 O56 -","4","1","","Zhang, Sheng; shen, nan; liu, sha; Ma, Rong; Zhang, Yi-Quan; Hu, Dengwei; Liu, Xiangyu; Zhang, Jiangwei; Yang, Desuo","The Rare CH3O-/CH3CH2O‒Bridged Nine-Coordinated Binuclear DyIII Single-Molecule Magnets (SMMs) Significantly Regulate and Enhance the Effective Energy Barriers","CrystEngComm","2020","","","","","10.1039/C9CE02000D","","x-ray","1.54184","CuKα","","0.079","0.0622","","","0.1563","0.1851","","","","","","1.059","","","","has coordinates","247362","2020-10-21","18:00:00",""
"7239839","7.4833","0.0002","8.152","0.0002","16.1344","0.0004","98.002","0.001","91.532","0.001","102.448","0.001","950.12","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N5 O4 S -","- C18 H19 N5 O4 S -","- C36 H38 N10 O8 S2 -","2","1","","Ahuja, Dipali; Ramisetty, Kiran A.; Sumanth, Peraka Krishna; Crowley, Clare M.; Lusi, Matteo; Rasmuson, Åke C.","Microwave assisted slurry conversion crystallization for manufacturing of new co-crystals of sulfamethazine and sulfamerazine","CrystEngComm","2020","22","8","1381","1394","10.1039/C9CE01886G","","","0.71073","MoKα","","0.0482","0.036","","","0.0864","0.0921","","","","","","1.035","","","","has coordinates","257439","2020-10-21","18:00:00",""
"7239840","7.9356","0.0009","10.3848","0.0012","13.1949","0.0015","108.741","0.003","93.495","0.003","109.913","0.003","950.27","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N5 O4 S -","- C18 H19 N5 O4 S -","- C36 H38 N10 O8 S2 -","2","1","","Ahuja, Dipali; Ramisetty, Kiran A.; Sumanth, Peraka Krishna; Crowley, Clare M.; Lusi, Matteo; Rasmuson, Åke C.","Microwave assisted slurry conversion crystallization for manufacturing of new co-crystals of sulfamethazine and sulfamerazine","CrystEngComm","2020","22","8","1381","1394","10.1039/C9CE01886G","","","0.71073","MoKα","","0.0524","0.0409","","","0.109","0.1158","","","","","","1.041","","","","has coordinates","257439","2020-10-21","18:00:00",""
"7239841","12.3517","0.0016","8.3507","0.0011","18.174","0.002","90","","98.788","0.004","90","","1852.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N6 O3 S -","- C18 H20 N6 O3 S -","- C72 H80 N24 O12 S4 -","4","1","","Ahuja, Dipali; Ramisetty, Kiran A.; Sumanth, Peraka Krishna; Crowley, Clare M.; Lusi, Matteo; Rasmuson, Åke C.","Microwave assisted slurry conversion crystallization for manufacturing of new co-crystals of sulfamethazine and sulfamerazine","CrystEngComm","2020","22","8","1381","1394","10.1039/C9CE01886G","","","0.71073","MoKα","","0.1406","0.075","","","0.1519","0.1753","","","","","","1.062","","","","has coordinates","257439","2020-10-21","18:00:00",""
"7239842","14.4922","0.0003","14.2458","0.0002","15.9319","0.0003","90","","91.96","0.001","90","","3287.26","0.1","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 B F2 N2 O -","- C19 H19 B F2 N2 O -","- C152 H152 B8 F16 N16 O8 -","8","2","","Sittig, Maria; Schmidt, Benny; Görls, Helmar; Bocklitz, Thomas; Wächtler, Maria; Zechel, Stefan; Hager, Martin D.; Dietzek, Benjamin","Fluorescence upconversion by triplet-triplet annihilation in all-organic poly(methacrylate)-terpolymers.","Physical chemistry chemical physics : PCCP","2020","22","7","4072","4079","10.1039/d0cp00232a","","","0.71073","MoKα","","0.0944","0.06","","","0.1089","0.1222","","","","","","1.094","","","","has coordinates","249056","2020-10-21","18:00:00",""
"7239843","21.8579","0.0004","10.5698","0.0002","18.2672","0.0004","90","","112.645","0.001","90","","3894.98","0.14","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 B F2 I2 N2 O -","- C19 H17 B F2 I2 N2 O -","- C152 H136 B8 F16 I16 N16 O8 -","8","2","","Sittig, Maria; Schmidt, Benny; Görls, Helmar; Bocklitz, Thomas; Wächtler, Maria; Zechel, Stefan; Hager, Martin D.; Dietzek, Benjamin","Fluorescence upconversion by triplet-triplet annihilation in all-organic poly(methacrylate)-terpolymers.","Physical chemistry chemical physics : PCCP","2020","22","7","4072","4079","10.1039/d0cp00232a","","","0.71073","MoKα","","0.0805","0.0554","","","0.0961","0.1062","","","","","","1.132","","","","has coordinates","249056","2020-10-21","18:00:00",""
"7239844","14.005","0.003","22.005","0.004","23.006","0.005","90","","92.53","0.03","90","","7083","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H40 Cd3 N6 O12 -","- C62 H40 Cd3 N6 O12 -","- C248 H160 Cd12 N24 O48 -","4","0.5","","Zhou, Xiaojing; Guo, Xiaolei; Liu, Lili; Zhai, Haidong; Meng, Qingguo; Shi, Zhan; Tai, Xishi","Two d10 luminescent metal‒organic frameworks as dual functional luminescent sensors for (Fe3+,Cu2+) and 2,4,6-trinitrophenol (TNP) with high selectivity and sensitivity","RSC Advances","2020","10","8","4817","4824","10.1039/C9RA07709J","","","0.71073","MoKα","","0.0802","0.0564","","","0.1556","0.1681","","","","","","1.086","","","","has coordinates","258011","2020-10-21","18:00:00",""
"7239845","13.3539","0.0007","13.6334","0.0007","13.6928","0.0007","102.708","0.002","91.104","0.003","116.101","0.002","2164.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H54 N8 O14 Zn3 -","- C68 H54 N8 O14 Zn3 -","- C68 H54 N8 O14 Zn3 -","1","0.5","","Zhou, Xiaojing; Guo, Xiaolei; Liu, Lili; Zhai, Haidong; Meng, Qingguo; Shi, Zhan; Tai, Xishi","Two d10 luminescent metal‒organic frameworks as dual functional luminescent sensors for (Fe3+,Cu2+) and 2,4,6-trinitrophenol (TNP) with high selectivity and sensitivity","RSC Advances","2020","10","8","4817","4824","10.1039/C9RA07709J","","","0.71073","MoKα","","0.0844","0.0501","","","0.1141","0.1247","","","","","","1.085","","","","has coordinates","258011","2020-10-21","18:00:00",""
"7239846","26.31","0.0005","26.31","0.0005","26.31","0.0005","90","","90","","90","","18212.2","0.6","203","","203","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C359.42 H310.27 Cu48 O192 S44.98 -","- C376.858 H362.573 Cu48 O192 S44.4 -","- C376.858 H362.573 Cu48 O192 S44.4 -","1","0.00520833","","Morita, Masashi; Yonezu, Akira; Kusaka, Shinpei; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Direct observation of dimethyl sulfide trapped by MOF proving efficient removal of sulfur impurities","RSC Advances","2020","10","8","4710","4714","10.1039/C9RA09702C","","x-ray","0.71073","MoKα","","0.0336","0.032","","","0.1195","0.1203","","","","","","1.298","","","","has coordinates,has disorder","258012","2020-10-21","18:00:00",""
"7239847","26.3518","0.0006","26.3518","0.0006","26.3518","0.0006","90","","90","","90","","18299.1","0.7","203","","203","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C6 H2 Cu O5 -","- C6 H2 Cu O5 -","- C288 H96 Cu48 O240 -","48","0.25","","Morita, Masashi; Yonezu, Akira; Kusaka, Shinpei; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Direct observation of dimethyl sulfide trapped by MOF proving efficient removal of sulfur impurities","RSC Advances","2020","10","8","4710","4714","10.1039/C9RA09702C","","x-ray","0.71073","MoKα","","0.0322","0.0284","","","0.0907","0.0948","","","","","","1.079","","","","has coordinates","258012","2020-10-21","18:00:00",""
"7239848","26.2622","0.0002","26.2622","0.0002","26.2622","0.0002","90","","90","","90","","18113.1","0.2","203","","203","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C6 H2 Cu O4 -","- C6 H2 Cu O4 -","- C288 H96 Cu48 O192 -","48","0.25","","Morita, Masashi; Yonezu, Akira; Kusaka, Shinpei; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Direct observation of dimethyl sulfide trapped by MOF proving efficient removal of sulfur impurities","RSC Advances","2020","10","8","4710","4714","10.1039/C9RA09702C","","x-ray","0.71073","MoKα","","0.0183","0.0175","","","0.0536","0.0538","","","","","","1.106","","","","has coordinates","258012","2020-10-21","18:00:00",""
"7239849","9.3329","0.0013","16.012","0.002","16.212","0.002","107.789","0.005","90.226","0.005","97.585","0.005","2284.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 B2 O20 Tb2 -","- C42 H28 B2 O20 Tb2 -","- C84 H56 B4 O40 Tb4 -","2","1","","Abdallah, Ahmad; Puget, Marin; Daiguebonne, Carole; Suffren, Yan; Calvez, Guillaume; Bernot, Kevin; Guillou, Olivier","A new series of lanthanide-based complexes with a bis(hydroxy)benzoxaborolone ligand: synthesis, crystal structure, and magnetic and optical properties","CrystEngComm","2020","22","11","2020","2030","10.1039/C9CE01592B","","x-ray","0.71073","MoKα","","0.0738","0.0548","","","0.1441","0.1547","","","","","","1.056","","","","has coordinates","257485","2020-10-21","18:00:00",""
"7239850","4.5881","0.0013","6.5905","0.0016","29.664","0.008","90","","90","","90","","897","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 B Na O5 -","- C7 H4 B Na O5 -","- C28 H16 B4 Na4 O20 -","4","1","","Abdallah, Ahmad; Puget, Marin; Daiguebonne, Carole; Suffren, Yan; Calvez, Guillaume; Bernot, Kevin; Guillou, Olivier","A new series of lanthanide-based complexes with a bis(hydroxy)benzoxaborolone ligand: synthesis, crystal structure, and magnetic and optical properties","CrystEngComm","2020","22","11","2020","2030","10.1039/C9CE01592B","","x-ray","0.71073","MoKα","","0.0539","0.0487","","","0.1378","0.1404","","","","","","1.022","","","","has coordinates","257485","2020-10-21","18:00:00",""
"7239851","18.42","0.004","10.567","0.002","8.8377","0.0018","90","","90","","90","","1720.2","0.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H12 Co N10 Na O -","- C12 H12 Co N10 Na O -","- C48 H48 Co4 N40 Na4 O4 -","4","0.5","","Shi, Chao; Gong, Zhi-Xin; Wang, Qin-Wen; Han, Xiang-Bin; Zhang, Wen","Role of the B′-site metal ion in the framework structures and dielectric transitions in host‒guest type cyanometalates (HIm)2[B′Co(CN)6] (HIm = imidazolium cation)","CrystEngComm","2020","22","10","1848","1852","10.1039/C9CE01739A","","","0.71073","MoKα","","0.0334","0.0288","","","0.0675","0.0694","","","","","","1.131","","","","has coordinates","257432","2020-10-21","18:00:00",""
"7239852","13.61","0.02","8.824","0.011","15.27","0.02","90","","111.68","0.02","90","","1704","4","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Co N10 Rb -","- C12 H10 Co N10 Rb -","- C48 H40 Co4 N40 Rb4 -","4","0.5","","Shi, Chao; Gong, Zhi-Xin; Wang, Qin-Wen; Han, Xiang-Bin; Zhang, Wen","Role of the B′-site metal ion in the framework structures and dielectric transitions in host‒guest type cyanometalates (HIm)2[B′Co(CN)6] (HIm = imidazolium cation)","CrystEngComm","2020","22","10","1848","1852","10.1039/C9CE01739A","","","0.71073","MoKα","","0.1071","0.0889","","","0.2648","0.2788","","","","","","1.113","","","","has coordinates","257432","2020-10-21","18:00:00",""
"7239853","8.8569","0.0003","8.8569","0.0003","19.0362","0.0009","90","","90","","120","","1293.23","0.09","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H10 Co N10 Rb -","- C11.001 Co N6 Rb -","- C33.003 Co3 N18 Rb3 -","3","0.166667","","Shi, Chao; Gong, Zhi-Xin; Wang, Qin-Wen; Han, Xiang-Bin; Zhang, Wen","Role of the B′-site metal ion in the framework structures and dielectric transitions in host‒guest type cyanometalates (HIm)2[B′Co(CN)6] (HIm = imidazolium cation)","CrystEngComm","2020","22","10","1848","1852","10.1039/C9CE01739A","","","0.71073","MoKα","","0.0784","0.0748","","","0.2396","0.2415","","","","","","1.284","","","","has coordinates","257432","2020-10-21","18:00:00",""
"7239854","8.8341","0.0017","8.8341","0.0017","19.308","0.003","90","","90","","120","","1304.9","0.4","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C12 H10 Co N10 Rb -","- C16.02 Co N6 Rb -","- C48.06 Co3 N18 Rb3 -","3","0.0833333","","Shi, Chao; Gong, Zhi-Xin; Wang, Qin-Wen; Han, Xiang-Bin; Zhang, Wen","Role of the B′-site metal ion in the framework structures and dielectric transitions in host‒guest type cyanometalates (HIm)2[B′Co(CN)6] (HIm = imidazolium cation)","CrystEngComm","2020","22","10","1848","1852","10.1039/C9CE01739A","","","0.71073","MoKα","","0.045","0.0421","","","0.1441","0.1481","","","","","","1.254","","","","has coordinates,has disorder","257432","2020-10-21","18:00:00",""
"7239855","9.4607","0.0005","14.1404","0.0008","19.0776","0.0011","90","","99.517","0.001","90","","2517","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Fe N14 O0 S2 -","- C44 H36 Fe N14 S2 -","- C88 H72 Fe2 N28 S4 -","2","0.5","","Shin, Jong Won; Jeong, Ah Rim; Jeong, Jong Hwa; Zenno, Hikaru; Hayami, Shinya; Min, Kil Sik","Two-dimensional square-grid iron(ii) coordination polymers showing anion-dependent spin crossover behavior","RSC Advances","2020","10","9","5040","5049","10.1039/C9RA09782A","","","0.71073","MoKα","","0.1337","0.0741","","","0.1874","0.2275","","","","","","0.989","","","","has coordinates","258095","2020-10-21","18:00:00",""
"7239856","18.847","0.004","14.005","0.003","19.343","0.004","90","","98.17","0.03","90","","5053.8","1.9","104","2","104","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Fe N14 O0 Se2 -","- C44 H36 Fe N14 Se2 -","- C176 H144 Fe4 N56 Se8 -","4","1","","Shin, Jong Won; Jeong, Ah Rim; Jeong, Jong Hwa; Zenno, Hikaru; Hayami, Shinya; Min, Kil Sik","Two-dimensional square-grid iron(ii) coordination polymers showing anion-dependent spin crossover behavior","RSC Advances","2020","10","9","5040","5049","10.1039/C9RA09782A","","","0.75","synchrotron","","0.1401","0.1113","","","0.3629","0.3839","","","","","","1.368","","","","has coordinates","258095","2020-10-21","18:00:00",""
"7239857","9.622","0.0019","14.689","0.003","19.691","0.004","90","","99.73","0.03","90","","2743","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H45 Fe N14 O3 Se2 -","- C46 H44 Fe N14 O3 Se2 -","- C92 H88 Fe2 N28 O6 Se4 -","2","0.5","","Shin, Jong Won; Jeong, Ah Rim; Jeong, Jong Hwa; Zenno, Hikaru; Hayami, Shinya; Min, Kil Sik","Two-dimensional square-grid iron(ii) coordination polymers showing anion-dependent spin crossover behavior","RSC Advances","2020","10","9","5040","5049","10.1039/C9RA09782A","","","0.8","synchrotron","","0.0883","0.0806","","","0.2648","0.2712","","","","","","1.065","","","","has coordinates","258095","2020-10-21","18:00:00",""
"7239858","7.8375","0.0003","8.2458","0.0003","14.5394","0.0007","87.176","0.004","74.562","0.004","73.335","0.004","867.31","0.07","150","","150","","","","","","","","from U of Wollongong","5","P -1","-P 1","2","","","","- C18 H16 N2 O5 S -","- C18 H16 N2 O5 S -","- C36 H32 N4 O10 S2 -","2","1","","Fares, Mohamed; McCosker, Patrick M.; Alsherbiny, Muhammad A.; Willis, Anthony C.; Clark, Timothy; Neyts, Johan; Jochmans, Dirk; Keller, Paul A.","Regioselective convergent synthesis of 2-arylidene thiazolo[3,2-a]pyrimidines as potential anti-chikungunya agents","RSC Advances","2020","10","9","5191","5195","10.1039/D0RA00257G","","x-ray","1.54184","CuKα","","0.0349","0.0343","","0.0885","0.0878","0.0885","","","","","","0.9978","","","","has coordinates","258096","2020-10-21","18:00:00",""
"7239859","27.13","0.02","5.227","0.004","15.424","0.012","90","","105.46","0.04","90","","2108","3","293","2","293","2","","","","","","","synthesis","4","C 1 2 1","C 2y","5","","","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C88 H104 N8 O20 -","4","1","","Chetia, Monikha; Debnath, Swapna; Chowdhury, Sumit; Chatterjee, Sunanda","Self-assembly and multifunctionality of peptide organogels: oil spill recovery, dye absorption and synthesis of conducting biomaterials","RSC Advances","2020","10","9","5220","5233","10.1039/C9RA10395C","","x-ray","0.71073","MoKα","","0.2754","0.1036","","","0.224","0.3383","","","","","","0.996","","","","has coordinates","258094","2020-10-21","18:00:00",""
"7239860","20.281","0.009","5.226","0.003","22.662","0.01","90","","105.39","0.05","90","","2316","2","293","2","293","2","","","","","","","synthesis","4","I 1 2 1","I 2y","5","","","","- C23 H28 N2 O5 -","- C23 H28 N2 O5 -","- C92 H112 N8 O20 -","4","1","","Chetia, Monikha; Debnath, Swapna; Chowdhury, Sumit; Chatterjee, Sunanda","Self-assembly and multifunctionality of peptide organogels: oil spill recovery, dye absorption and synthesis of conducting biomaterials","RSC Advances","2020","10","9","5220","5233","10.1039/C9RA10395C","","x-ray","0.71073","MoKα","","0.155","0.0829","","","0.1971","0.2285","","","","","","0.919","","","","has coordinates","258094","2020-10-21","18:00:00",""
"7239861","7.4557","0.0003","12.6096","0.0005","13.7586","0.0003","94.478","0.003","98.662","0.003","101.166","0.003","1246.84","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10.8 H7.2 Co0.4 N0.8 O3.2 S0.4 -","- C10.8 H6.4 Co0.4 N0.8 O3.2 S0.4 -","- C54 H32 Co2 N4 O16 S2 -","5","2.5","","Tu, Qian-Qian; Ren, Ling-Ling; Cui, Ying-Ying; Cheng, Ai-Ling; Gao, En-Qing","Assembly of four new cobalt coordination polymers modulated by N-coligands: sensitive and selective sensing of nitroaromatics, Fe3+ and Cr2O72− in water","CrystEngComm","2020","22","10","1789","1801","10.1039/C9CE01757G","","","1.54184","CuKα","","0.0534","0.0466","","","0.1213","0.1255","","","","","","1.03","","","","has coordinates,has disorder","257430","2020-10-21","18:00:00",""
"7239862","10.5883","0.0004","12.9921","0.0005","14.4442","0.0005","63.887","0.004","79.26","0.003","79.327","0.003","1740.9","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C9.29 H5.71 Co0.43 N0.57 O3 S0.43 -","- C9.28571 H5.28571 Co0.428571 N0.571429 O3 S0.428571 -","- C65 H37 Co3 N4 O21 S3 -","7","3.5","","Tu, Qian-Qian; Ren, Ling-Ling; Cui, Ying-Ying; Cheng, Ai-Ling; Gao, En-Qing","Assembly of four new cobalt coordination polymers modulated by N-coligands: sensitive and selective sensing of nitroaromatics, Fe3+ and Cr2O72− in water","CrystEngComm","2020","22","10","1789","1801","10.1039/C9CE01757G","","","1.54184","CuKα","","0.1009","0.0915","","","0.2145","0.2196","","","","","","1.096","","","","has coordinates,has disorder","257430","2020-10-21","18:00:00",""
"7239863","10.8048","0.0004","12.8422","0.0007","14.3174","0.0005","65.558","0.004","81.826","0.003","79.139","0.004","1771.62","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8.62 H5 Co0.38 N0.5 O2.62 S0.38 -","- C8.625 H4.125 Co0.375 N0.5 O2.625 S0.375 -","- C69 H33 Co3 N4 O21 S3 -","8","4","","Tu, Qian-Qian; Ren, Ling-Ling; Cui, Ying-Ying; Cheng, Ai-Ling; Gao, En-Qing","Assembly of four new cobalt coordination polymers modulated by N-coligands: sensitive and selective sensing of nitroaromatics, Fe3+ and Cr2O72− in water","CrystEngComm","2020","22","10","1789","1801","10.1039/C9CE01757G","","","1.54184","CuKα","","0.1596","0.1469","","","0.4052","0.4196","","","","","","1.247","","","","has coordinates,has disorder","257430","2020-10-21","18:00:00",""
"7239864","17.876","0.002","27.491","0.002","11.3809","0.001","90","","90","","90","","5592.9","0.9","293","2","293","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C4.17 H2.67 Co0.17 N0.33 O1.17 S0.17 -","- C4.16667 H2 Co0.166667 N0.333333 O1.16667 S0.166667 -","- C100 H48 Co4 N8 O28 S4 -","24","3","","Tu, Qian-Qian; Ren, Ling-Ling; Cui, Ying-Ying; Cheng, Ai-Ling; Gao, En-Qing","Assembly of four new cobalt coordination polymers modulated by N-coligands: sensitive and selective sensing of nitroaromatics, Fe3+ and Cr2O72− in water","CrystEngComm","2020","22","10","1789","1801","10.1039/C9CE01757G","","","1.54184","CuKα","","0.186","0.0848","","","0.2211","0.2735","","","","","","0.931","","","","has coordinates","257430","2020-10-21","18:00:00",""
"7239865","10.0426","0.0014","15.734","0.002","17.504","0.003","101.186","0.002","96.301","0.002","101.842","0.002","2623.1","0.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H34 Cl4 Cu24 Mo12 N48 O41 P -","- C32 H34 Cl4 Cu24 Mo12 N48 O41 P -","- C32 H34 Cl4 Cu24 Mo12 N48 O41 P -","1","0.5","","Yang, Xiya; Zhu, Peipei; Ma, Xiaoliang; Li, Wenjing; Tan, Zenglong; Sha, Jingquan","Graphite-like polyoxometalate-based metal‒organic framework as an efficient anode for lithium ion batteries","CrystEngComm","2020","","","","","10.1039/C9CE01936G","","","0.71073","MoKα","","0.0757","0.0472","","","0.1338","0.1527","","","","","","1.038","","","","has coordinates","247513","2020-10-21","18:00:00",""
"7239866","10.3559","0.0008","12.2616","0.0009","10.7523","0.0008","90","","91.528","0.007","90","","1364.84","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>'-[(<i>Z</i>)-1,3-benzodioxol-5-ylmethylidene]benzenesulfonohydrazide","<i>N</i>'-[(<i>Z</i>)-1,3-benzodioxol-5-ylmethylidene]benzenesulfonohydrazide","","- C14 H12 N2 O4 S -","- C14 H12 N2 O4 S -","- C56 H48 N8 O16 S4 -","4","1","","Rahman, Mohammed M.; Hussain, Mohammad Musarraf; Arshad, Muhammad Nadeem; Asiri, Abdullah M.","The synthesis and application of (E)-N′-(benzo[d]dioxol-5-ylmethylene)-4-methyl-benzenesulfonohydrazide for the detection of carcinogenic lead","RSC Advances","2020","10","9","5316","5327","10.1039/C9RA09080K","","","0.71073","MoKα","","0.0558","0.0404","","","0.0983","0.11","","","","","","1.021","","","","has coordinates","258093","2020-10-21","18:00:00",""
"7239867","11.4162","0.0004","11.4162","0.0004","20.9435","0.0007","90","","90","","120","","2363.87","0.14","296","2","296","2","","","","","","","","5","P 65","P 65","170","<i>N</i>'-[(<i>Z</i>)-1,3-benzodioxol-5-ylmethylidene]-4-methyl benzenesulfonohydrazide","<i>N</i>'-[(<i>Z</i>)-1,3-benzodioxol-5-ylmethylidene]-4-methyl benzenesulfonohydrazide","","- C15 H14 N2 O4 S -","- C15 H14 N2 O4 S -","- C90 H84 N12 O24 S6 -","6","1","","Rahman, Mohammed M.; Hussain, Mohammad Musarraf; Arshad, Muhammad Nadeem; Asiri, Abdullah M.","The synthesis and application of (E)-N′-(benzo[d]dioxol-5-ylmethylene)-4-methyl-benzenesulfonohydrazide for the detection of carcinogenic lead","RSC Advances","2020","10","9","5316","5327","10.1039/C9RA09080K","","","0.71073","MoKα","","0.0851","0.0458","","","0.1219","0.1426","","","","","","1.011","","","","has coordinates","258093","2020-10-21","18:00:00",""
"7239868","30.2857","0.0013","16.998","0.0007","28.4898","0.0012","90","","95.403","0.002","90","","14601.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 N3 O26 Zn5 -","- C46 H38 N3 O26 Zn5 -","- C368 H304 N24 O208 Zn40 -","8","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","","0.71073","MoKα","","0.181","0.1335","","","0.3646","0.3997","","","","","","1.054","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239869","9.4648","0.0003","16.2782","0.0006","11.5458","0.0004","90","","97.104","0.002","90","","1765.2","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Mn N2 O7 -","- C15 H20 Mn N2 O7 -","- C60 H80 Mn4 N8 O28 -","4","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","","0.71073","MoKα","","0.0963","0.0766","","","0.2293","0.2451","","","","","","1.097","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239870","20.1064","0.0005","14.018","0.0004","18.9293","0.0005","90","","118.072","0.002","90","","4707.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cd5 O24 -","- C27 H17 Cd5 O24 -","- C108 H68 Cd20 O96 -","4","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","","0.71073","MoKα","","0.2691","0.2531","","","0.5548","0.5618","","","","","","1.111","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239871","12.5634","0.0003","16.1618","0.0003","17.1222","0.0003","90","","90","","90","","3476.61","0.12","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H11 Cd N2 O5 -","- C11 H9 Cd N O6 -","- C88 H72 Cd8 N8 O48 -","8","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","","1.54184","CuKα","","0.0452","0.041","","","0.1205","0.137","","","","","","1.126","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239872","34.2808","0.0008","19.8399","0.0004","18.1612","0.0004","90","","102.818","0.002","90","","12044.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 Mn3 N O19 -","- C33 H24 Mn3 N O19 -","- C264 H192 Mn24 N8 O152 -","8","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","x-ray","1.54184","CuKα","","0.1111","0.0984","","","0.2865","0.3008","","","","","","1.063","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239873","29.6191","0.0012","5.7006","0.0002","17.6543","0.0006","90","","100.62","0.004","90","","2929.81","0.19","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H29 N O2 -","- C39 H29 N O2 -","- C156 H116 N4 O8 -","4","1","","Huang, Zengfang; Chen, Yali; Wang, Runze; Zhou, Chaoyue; Liu, Xiaobo; Mao, Liucheng; Yuan, Jinying; Tao, Lei; Wei, Yen","An acrylate AIE-active dye with a two-photon fluorescent switch for fluorescent nanoparticles by RAFT polymerization: synthesis, molecular structure and application in cell imaging","RSC Advances","2020","10","10","5704","5711","10.1039/C9RA10430E","","x-ray","1.54184","CuKα","","0.0935","0.0702","","","0.1357","0.167","","","","","","1.035","","","","has coordinates","257969","2020-10-21","18:00:00",""
"7239874","16.678","0.005","7.107","0.005","15.865","0.005","90","0.005","97.397","0.005","90","0.005","1864.8","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 N2 O -","- C6 H12 Cl2 N2 O -","- C48 H96 Cl16 N16 O8 -","8","2","","Hamdi, Intissar; Bkhairia, Intidhar; Roodt, Andreas; Roisnel, Thierry; Nasri, Moncef; Naïli, Houcine","Synthesis, intermolecular interactions and biological activities of two new organic‒inorganic hybrids C6H10N2,2Br and C6H10N2,2Cl·H2O","RSC Advances","2020","10","10","5864","5873","10.1039/C9RA09294C","","","0.71069","MoKα","","0.0289","0.0246","","","0.0731","0.0915","","","","","","1.191","","","","has coordinates","257970","2020-10-21","18:00:00",""
"7239875","6.656","0.0009","7.7563","0.001","9.1524","0.0012","76.32","0.004","80.652","0.004","82.187","0.005","450.65","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H10 Br2 N2 -","- C6 H10 Br2 N2 -","- C12 H20 Br4 N4 -","2","1","","Hamdi, Intissar; Bkhairia, Intidhar; Roodt, Andreas; Roisnel, Thierry; Nasri, Moncef; Naïli, Houcine","Synthesis, intermolecular interactions and biological activities of two new organic‒inorganic hybrids C6H10N2,2Br and C6H10N2,2Cl·H2O","RSC Advances","2020","10","10","5864","5873","10.1039/C9RA09294C","","","0.71073","MoKα","","0.0224","0.0204","","","0.0506","0.0515","","","","","","1.053","","","","has coordinates","257970","2020-10-21","18:00:00",""
"7239876","15.949","0.002","9.0933","0.0012","25.01","0.003","90","","113.421","0.002","90","","3328.3","0.7","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 Br F3 N2 O2 -","- C17 H12 Br F3 N2 O2 -","- C136 H96 Br8 F24 N16 O16 -","8","1","","Xu, Xiaobo; Xia, Chengcai; Li, Xiaojun; Sun, Jian; Hao, Liqiang","Visible-light-induced aerobic C3‒H fluoroalkoxylation of quinoxalin-2(1H)-ones with fluoroalkyl alcohols","RSC Advances","2020","10","4","2016","2026","10.1039/C9RA10194B","","","0.71073","MoKα","","0.0918","0.0467","","","0.1044","0.1197","","","","","","1.013","","","","has coordinates","258039","2020-10-21","18:00:00",""
"7239877","9.1084","0.0008","10.8314","0.0009","17.2226","0.0014","90","","94.06","0.003","90","","1694.9","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(NZ)-N-[(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)methylidene]-N- oxidoanilinium","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","","Said, Awad I.; El-Emary, Talaat I.","Diastereoselective synthesis of atropisomeric pyrazolyl pyrrolo[3,4-d]isoxazolidines via pyrazolyl nitrone cycloaddition to facially divergent maleimides: intensive NMR and DFT studies","RSC Advances","2020","10","2","845","850","10.1039/C9RA10039C","","","1.54178","CuKα","","0.0372","0.0346","","","0.0844","0.0864","","","","","","1.055","","","","has coordinates","258050","2020-10-21","18:00:00",""
"7239878","8.7889","0.0003","10.1048","0.0005","8.8667","0.0003","90","","93.111","0.003","90","","786.29","0.05","114","4","114","4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 Cl O5 -","- C20 H15 Cl O5 -","- C40 H30 Cl2 O10 -","2","1","","Liu, Xinlei; Li, Shuyi; Wei, Xinyu; Zhao, Yu; Lai, Daowan; Zhou, Ligang; Wang, Mingan","Total synthesis of Palmarumycin BGs, C1 and Guignardin E","RSC Advances","2020","10","3","1588","1594","10.1039/C9RA10316C","","x-ray","1.54184","CuKα","","0.0394","0.0379","","","0.0975","0.099","","","","","","1.042","","","","has coordinates","258147","2020-10-21","18:00:00",""
"7239879","9.6166","0.0004","14.4465","0.0006","20.4967","0.001","106.767","0.004","98.427","0.004","101.203","0.004","2611.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H20 O16 Zn3 -","- C44 H20 O16 Zn3 -","- C88 H40 O32 Zn6 -","2","1","","Qin, Jian-Hua; Huang, Ya-Dan; Shi, Ming-Yu; Wang, Hua-Rui; Han, Min-Le; Yang, Xiao-Gang; Li, Fei-Fei; Ma, Lu-Fang","Aqueous-phase detection of antibiotics and nitroaromatic explosives by an alkali-resistant Zn-MOF directed by an ionic liquid","RSC Advances","2020","10","3","1439","1446","10.1039/C9RA08733H","","x-ray","0.71073","MoKα","","0.069","0.0574","","","0.1442","0.1519","","","","","","1.042","","","","has coordinates,has disorder","258148","2020-10-21","18:00:00",""
"7239880","7.3992","0.0018","23.598","0.006","7.8738","0.0019","90","","101.882","0.008","90","","1345.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O6 -","- C12 H15 N3 O6 -","- C48 H60 N12 O24 -","4","1","","Zheng, Kang; Gao, Sijia; Chen, Meishan; Li, Ao; Wu, Weiwei; Qian, Shaosong; Pang, Qiuxiang","Color tuning of an active pharmaceutical ingredient through cocrystallization: a case study of a metronidazole‒pyrogallol cocrystal","CrystEngComm","2020","22","8","1404","1413","10.1039/C9CE01726G","","","0.71073","MoKα","","0.0637","0.0481","","","0.1193","0.1294","","","","","","1.034","","","","has coordinates","257438","2020-10-21","18:00:00",""
"7239881","6.0437","0.0003","11.6835","0.0006","14.5203","0.001","90","","96.343","0.007","90","","1019.02","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 B2 F4 N4 -","- C24 H16 B2 F4 N4 -","- C48 H32 B4 F8 N8 -","2","0.5","","Mangham, Barry; Hanson-Heine, Magnus W D; Davies, E. Stephen; Wriglesworth, Alisdair; George, Michael W.; Lewis, William; Kays, Deborah L.; McMaster, Jonathan; Besley, Nicholas A.; Champness, Neil R.","Influence of molecular design on radical spin multiplicity: characterisation of BODIPY dyad and triad radical anions.","Physical chemistry chemical physics : PCCP","2020","22","8","4429","4438","10.1039/c9cp06427c","","","0.71075","MoKα","","0.0367","0.0333","","","0.0866","0.089","","","","","","1.073","","","","has coordinates","249052","2020-10-21","18:00:00",""
"7239882","19.818","0.014","10.284","0.005","12.947","0.006","90","","130.539","0.007","90","","2005","2","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 B2 F4 N4 -","- C24 H16 B2 F4 N4 -","- C96 H64 B8 F16 N16 -","4","0.5","","Mangham, Barry; Hanson-Heine, Magnus W D; Davies, E. Stephen; Wriglesworth, Alisdair; George, Michael W.; Lewis, William; Kays, Deborah L.; McMaster, Jonathan; Besley, Nicholas A.; Champness, Neil R.","Influence of molecular design on radical spin multiplicity: characterisation of BODIPY dyad and triad radical anions.","Physical chemistry chemical physics : PCCP","2020","22","8","4429","4438","10.1039/c9cp06427c","","","0.71073","MoKα","","0.0813","0.0536","","","0.1191","0.1365","","","","","","1.147","","","","has coordinates","249052","2020-10-21","18:00:00",""
"7239883","20.5","0.02","20.4","0.02","8.11","0.008","90","","95.68","","90","","3375","6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H22 B3 Cl F6 N6 -","- C33.498 H21.996 B3 Cl0.996 F6 N6 -","- C133.992 H87.984 B12 Cl3.984 F24 N24 -","4","1","","Mangham, Barry; Hanson-Heine, Magnus W D; Davies, E. Stephen; Wriglesworth, Alisdair; George, Michael W.; Lewis, William; Kays, Deborah L.; McMaster, Jonathan; Besley, Nicholas A.; Champness, Neil R.","Influence of molecular design on radical spin multiplicity: characterisation of BODIPY dyad and triad radical anions.","Physical chemistry chemical physics : PCCP","2020","22","8","4429","4438","10.1039/c9cp06427c","","","0.6889","synchrotron","","0.1635","0.1329","","","0.3379","0.373","","","","","","1.304","","","","has coordinates,has disorder","249052","2020-10-21","18:00:00",""
"7239884","16.2697","0.001","9.5846","0.0005","13.562","0.0009","90","","111.878","0.007","90","","1962.5","0.2","140","2","140","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H20 Br2 Cl6 N2 Te -","- C6 H20 Br2 Cl6 N2 Te -","- C24 H80 Br8 Cl24 N8 Te4 -","4","1","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases","CrystEngComm","2020","22","11","1985","1990","10.1039/C9CE01820D","","x-ray","0.71073","MoKα","","0.0284","0.0274","","","0.0661","0.0667","","","","","","1.051","","","","has coordinates","257483","2020-10-21","18:00:00",""
"7239885","7.7903","0.0004","8.952","0.0005","17.1961","0.001","100.706","0.005","97.205","0.005","108.223","0.005","1097.41","0.12","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Br2 Cl6 N2 Te -","- C12 H16 Br2 Cl6 N2 Te -","- C24 H32 Br4 Cl12 N4 Te2 -","2","1","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases","CrystEngComm","2020","22","11","1985","1990","10.1039/C9CE01820D","","x-ray","0.71073","MoKα","","0.0465","0.0345","","","0.0688","0.074","","","","","","1.06","","","","has coordinates,has disorder","257483","2020-10-21","18:00:00",""
"7239886","9.2138","0.0002","9.2138","0.0002","25.0947","0.0008","90","","90","","90","","2130.39","0.09","140","2","140","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C12 H16 Br2 Cl6 N2 Te -","- C12 H16 Br2 Cl6 N2 Te -","- C48 H64 Br8 Cl24 N8 Te4 -","4","0.5","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases","CrystEngComm","2020","22","11","1985","1990","10.1039/C9CE01820D","","x-ray","0.71073","MoKα","","0.0315","0.0271","","","0.0412","0.0422","","","","","","1.063","","","","has coordinates","257483","2020-10-21","18:00:00",""
"7239887","16.8313","0.0008","9.4395","0.0004","13.2246","0.0006","90","","109.26","0.005","90","","1983.52","0.17","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Br2 Cl6 N2 Te -","- C10 H12 Br2 Cl6 N2 Te -","- C40 H48 Br8 Cl24 N8 Te4 -","4","0.5","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases","CrystEngComm","2020","22","11","1985","1990","10.1039/C9CE01820D","","x-ray","0.71073","MoKα","","0.0287","0.024","","","0.0566","0.0582","","","","","","1.068","","","","has coordinates","257483","2020-10-21","18:00:00",""
"7239888","4.5912","0.0004","10.6146","0.0007","21.6437","0.0017","90","","94.49","0.008","90","","1051.54","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-methylbenzaldehyde (cyanoacetyl)hydrazone","2-cyano-N'-[(1E)-(4-methylphenyl)methylidene]acetohydrazide","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C44 H44 N12 O4 -","4","1","","Zhang, Zhenfeng; Chen, Dejun","Hydrazone-aromatic interaction: the vital role in molecular self-assembly of benzaldehyde hydrazones","CrystEngComm","2020","","","","","10.1039/C9CE01978B","","","0.71073","MoKα","","0.0665","0.054","","","0.1377","0.1463","","","","","","1.083","","","","has coordinates","247930","2020-10-21","18:00:00",""
"7239889","4.5906","0.0001","10.7866","0.0002","20.7507","0.0004","90","","94.248","0.002","90","","1024.69","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-chlorobenzaldehyde (cyanoacetyl)hydrazone","2-cyano-N'-[(1E)-(4-chlorophenyl)methylidene]acetohydrazide","","- C10 H8 Cl N3 O -","- C10 H8 Cl N3 O -","- C40 H32 Cl4 N12 O4 -","4","1","","Zhang, Zhenfeng; Chen, Dejun","Hydrazone-aromatic interaction: the vital role in molecular self-assembly of benzaldehyde hydrazones","CrystEngComm","2020","","","","","10.1039/C9CE01978B","","","1.54178","CuKα","","0.0388","0.0368","","","0.1087","0.1109","","","","","","1.006","","","","has coordinates","247930","2020-10-21","18:00:00",""
"7239890","4.6341","0.0001","10.7786","0.0003","21.0532","0.0008","90","","93.975","0.003","90","","1049.06","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-bromobenzaldehyde (cyanoacetyl)hydrazone","2-cyano-N'-[(1E)-(4-bromophenyl)methylidene]acetohydrazide","","- C10 H8 Br N3 O -","- C10 H8 Br N3 O -","- C40 H32 Br4 N12 O4 -","4","1","","Zhang, Zhenfeng; Chen, Dejun","Hydrazone-aromatic interaction: the vital role in molecular self-assembly of benzaldehyde hydrazones","CrystEngComm","2020","","","","","10.1039/C9CE01978B","","","0.71073","MoKα","","0.0562","0.0353","","","0.0671","0.0765","","","","","","1.026","","","","has coordinates","247930","2020-10-21","18:00:00",""
"7239891","13.328","0.003","14.307","0.003","29.016","0.006","90.48","0.005","91.743","0.005","94.143","0.005","5516","2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C132.5 H118 Dy2 N12 O6 -","- C132.5 H118 Dy2 N12 O6 -","- C265 H236 Dy4 N24 O12 -","2","1","","Long, Jérôme; Selikhov, Alexander N.; Mamontova, Ekaterina; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander","Synthesis, structure, magnetic and luminescent properties of two dysprosium Single-Molecule Magnets based on phenoxide dye ligands.","CrystEngComm","2020","","","","","10.1039/D0CE00055H","","","0.71073","MoKα","","0.1811","0.0741","","","0.1574","0.2079","","","","","","0.941","","","","has coordinates,has disorder","247931","2020-10-21","18:00:00",""
"7239892","11.3117","0.0006","23.0212","0.0012","17.7515","0.001","90","","107.374","0.0014","90","","4411.8","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H42 Dy N3 O3 -","- C57 H42 Dy N3 O3 -","- C228 H168 Dy4 N12 O12 -","4","1","","Long, Jérôme; Selikhov, Alexander N.; Mamontova, Ekaterina; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander","Synthesis, structure, magnetic and luminescent properties of two dysprosium Single-Molecule Magnets based on phenoxide dye ligands.","CrystEngComm","2020","","","","","10.1039/D0CE00055H","","","0.71073","MoKα","","0.09","0.0464","","","0.087","0.1032","","","","","","0.978","","","","has coordinates","247931","2020-10-21","18:00:00",""
"7239893","10.434","0.001","10.434","0.001","20.752","0.005","90","","90","","90","","2259.2","0.6","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C3.43 H2.29 N0.86 O0.29 Zn0.14 -","- C3.42857 H2.28571 N0.857143 O0.285714 Zn0.142857 -","- C96 H64 N24 O8 Zn4 -","28","3.5","","Wu, Yuandi; Liu, Dongyang; Lin, Meihua; Qian, Jing","Zinc(ii)-based coordination polymer encapsulated Tb3+ as a multi-responsive luminescent sensor for Ru3+, Fe3+, CrO42−, Cr2O72− and MnO4−","RSC Advances","2020","10","10","6022","6029","10.1039/C9RA09541A","","","0.71073","MoKα","","0.0406","0.031","","","0.0687","0.073","","","","","","1.04","","","","has coordinates","257968","2020-10-21","18:00:00",""
"7239894","7.878","0.005","12.877","0.005","17.325","0.005","90","","90","","90","","1757.5","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 N2 O5 Zn -","- C13 H9 N2 O5 Zn -","- C52 H36 N8 O20 Zn4 -","4","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","1.5418","CuKα","","0.0516","0.0485","","","0.1366","0.1394","","","","","","1.083","","","","has coordinates,has disorder","247967","2020-10-21","18:00:00",""
"7239895","11.168","0.0008","25.2917","0.0018","21.2081","0.0019","90","","96.363","0.007","90","","5953.5","0.8","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H25.5 Cu1.5 N4.5 O9 -","- C28.5 H25.5 Cu1.5 N4.5 O9 -","- C228 H204 Cu12 N36 O72 -","8","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","1.54184","CuKα","","0.0392","0.035","","","0.0935","0.0971","","","","","","1.038","","","","has coordinates,has disorder","247967","2020-10-21","18:00:00",""
"7239896","10.1522","0.0003","33.2337","0.0012","12.3547","0.0004","90","","90","","90","","4168.4","0.2","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C10.5 H4.5 Cd N1.5 O6 -","- C10.5 H4.5 Cd N1.5 O6 -","- C84 H36 Cd8 N12 O48 -","8","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","1.54184","CuKα","","0.0207","0.0198","","","0.0507","0.0512","","","","","","1.015","","","","has coordinates,has disorder","247967","2020-10-21","18:00:00",""
"7239897","9.0778","0.0008","9.6883","0.0008","13.9491","0.0013","76.153","0.008","73.459","0.008","84.233","0.007","1141.16","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 N8 O14 Zn2 -","- C44 H48 N8 O14 Zn2 -","- C44 H48 N8 O14 Zn2 -","1","0.5","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","1.54184","CuKα","","0.0373","0.0305","","","0.0806","0.084","","","","","","0.898","","","","has coordinates","247967","2020-10-21","18:00:00",""
"7239898","12.3457","0.0002","11.3248","0.0002","29.2277","0.0004","90","","98.689","0.001","90","","4039.5","0.11","112.8","0.3","112.8","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Mn3 N6 O15 -","- C30 H30 Mn3 N6 O15 -","- C120 H120 Mn12 N24 O60 -","4","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","x-ray","1.54184","CuKα","","0.0479","0.0393","","","0.0994","0.1073","","","","","","1.028","","","","has coordinates,has disorder","247967","2020-10-21","18:00:00",""
"7239899","11.203","0.005","11.394","0.005","14.313","0.005","90","0.005","90","0.005","90","0.005","1827","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 N2 O5 Zn -","- C12 H12 N2 O5 Zn -","- C48 H48 N8 O20 Zn4 -","4","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","0.71073","MoKα","","0.035","0.0315","","","0.074","0.0756","","","","","","1.052","","","","has coordinates","247967","2020-10-21","18:00:00",""
"7239900","11.0431","0.0006","9.7384","0.0005","12.139","0.0005","90","","90.252","0.004","90","","1305.44","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N2 O6 Zn -","- C10 H11 N2 O6 Zn -","- C40 H44 N8 O24 Zn4 -","4","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","0.71073","MoKα","","0.0509","0.0439","","","0.1191","0.1232","","","","","","1.078","","","","has coordinates","247967","2020-10-21","18:00:00",""
"7239901","11.5931","0.0006","13.5663","0.0005","27.2835","0.0013","90","","89.922","0.005","90","","4291","0.3","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30.97 H24.94 Mn3 N5.66 O14 -","- C30.92 H25.48 Mn3 N5.64 O14 -","- C123.68 H101.92 Mn12 N22.56 O56 -","4","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","x-ray","1.54184","CuKα","","0.1233","0.0897","","","0.2513","0.3064","","","","","","1.122","","","","has coordinates","247967","2020-10-21","18:00:00",""
"7239902","7.7534","0.0003","15.3166","0.0004","8.7169","0.0004","90","","112.728","0.005","90","","954.8","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Co N3 O6 -","- C19 H17 Co N3 O6 -","- C38 H34 Co2 N6 O12 -","2","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","1.54184","CuKα","","0.0397","0.0374","","","0.0903","0.0916","","","","","","1.034","","","","has coordinates","247967","2020-10-21","18:00:00",""
"7239903","6.6568","0.0017","11.35","0.003","16.471","0.003","90","","90","","90","","1244.5","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 N4 O -","- C15 H10 N4 O -","- C60 H40 N16 O4 -","4","1","","Su, Hao; Hao, Liang; Hussain, Wajid; Li, Zhongkui; Li, Hui","Two donor-acceptor (D-A) type Zn(II) complexes as fluorescent probes for highly selective detection of iodide","CrystEngComm","2020","","","","","10.1039/C9CE01953G","","","0.71073","MoKα","","0.1699","0.075","","","0.1514","0.178","","","","","","1.091","","","","has coordinates","247968","2020-10-21","18:00:00",""
"7239904","10.2417","0.0004","12.1827","0.0005","14.1173","0.0006","77.388","0.001","88.119","0.001","77.243","0.001","1676.29","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H26 N10 O3 Zn2 -","- C35 H26 N10 O3 Zn2 -","- C70 H52 N20 O6 Zn4 -","2","1","","Su, Hao; Hao, Liang; Hussain, Wajid; Li, Zhongkui; Li, Hui","Two donor-acceptor (D-A) type Zn(II) complexes as fluorescent probes for highly selective detection of iodide","CrystEngComm","2020","","","","","10.1039/C9CE01953G","","","0.71073","MoKα","","0.0433","0.0284","","","0.0719","0.0773","","","","","","1.047","","","","has coordinates","247968","2020-10-21","18:00:00",""
"7239905","6.0468","0.0007","31.046","0.003","10.7876","0.0012","90","","100.317","0.004","90","","1992.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 Cl N4 O3 Zn -","- C22 H13 Cl N4 O3 Zn -","- C88 H52 Cl4 N16 O12 Zn4 -","4","1","","Su, Hao; Hao, Liang; Hussain, Wajid; Li, Zhongkui; Li, Hui","Two donor-acceptor (D-A) type Zn(II) complexes as fluorescent probes for highly selective detection of iodide","CrystEngComm","2020","","","","","10.1039/C9CE01953G","","","0.71073","MoKα","","0.1096","0.0544","","","0.1026","0.1217","","","","","","1.029","","","","has coordinates","247968","2020-10-21","18:00:00",""
"7239906","20.00896","0.00019","53.1688","0.0005","14.50409","0.00014","90","","88.4818","0.0008","90","","15424.8","0.3","98","2","98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","MMFBr","","- C92.11 H98.73 Br12 N13.5 O3.46 Pd6 -","- C92.115 H98.73 Br12 N13.5 O3.454 Pd6 -","- C368.46 H394.92 Br48 N54 O13.816 Pd24 -","4","1","","Tashiro, Shohei; Mitsui, Shinya; Burke, David W.; Kubota, Ryoh; Matsushita, Nobuyuki; Shionoya, Mitsuhiko","Core-shell metal-macrocycle framework (MMF): spatially selective dye inclusion through core-to-shell anisotropic transport along crystalline 1D-channels connected by epitaxial growth","CrystEngComm","2020","","","","","10.1039/D0CE00120A","","","1.54184","CuKα","","0.1125","0.0834","","","0.2378","0.2582","","","","","","1.051","","","","has coordinates,has disorder","247969","2020-10-21","18:00:00",""
"7239907","20.23","0.0009","53.5168","0.0016","14.3304","0.0003","90","","90.516","0.003","90","","15514.1","0.9","93","2","93.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","MMFcore","","- C84 H84 Br3.69 Cl8.31 N12 O2 Pd6 -","- C84 H84 Br3.709 Cl8.291 N12 O2 Pd6 -","- C336 H336 Br14.836 Cl33.164 N48 O8 Pd24 -","4","1","","Tashiro, Shohei; Mitsui, Shinya; Burke, David W.; Kubota, Ryoh; Matsushita, Nobuyuki; Shionoya, Mitsuhiko","Core-shell metal-macrocycle framework (MMF): spatially selective dye inclusion through core-to-shell anisotropic transport along crystalline 1D-channels connected by epitaxial growth","CrystEngComm","2020","","","","","10.1039/D0CE00120A","","","0.71073","MoKα","","0.2528","0.1699","","","0.4275","0.4706","","","","","","1.088","","","","has coordinates,has disorder","247969","2020-10-21","18:00:00",""
"7239908","20.0078","0.0003","53.0768","0.0009","14.5575","0.00018","90","","91.384","0.001","90","","15454.8","0.4","93","2","93.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","MMFshell","","- C90 H93 Br10.86 Cl1.14 N15 O Pd6 -","- C90 H93 Br10.872 Cl1.128 N15 O Pd6 -","- C360 H372 Br43.488 Cl4.512 N60 O4 Pd24 -","4","1","","Tashiro, Shohei; Mitsui, Shinya; Burke, David W.; Kubota, Ryoh; Matsushita, Nobuyuki; Shionoya, Mitsuhiko","Core-shell metal-macrocycle framework (MMF): spatially selective dye inclusion through core-to-shell anisotropic transport along crystalline 1D-channels connected by epitaxial growth","CrystEngComm","2020","","","","","10.1039/D0CE00120A","","","0.71073","MoKα","","0.1524","0.109","","","0.2816","0.3017","","","","","","1.102","","","","has coordinates,has disorder","247969","2020-10-21","18:00:00",""
"7239909","18.1413","0.001","10.9944","0.0006","21.6888","0.0012","90","","109.931","0.002","90","","4066.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H46 N10 Np O22 -","- C28 H46 N10 Np O22 -","- C112 H184 N40 Np4 O88 -","4","0.5","","Takao, Koichiro; März, Juliane; Matsuoka, Moe; Mashita, Takanori; Kazama, Hiroyuki; Tsushima, Satoru","Crystallization of colourless hexanitratoneptunate(iv) with anhydrous H+ countercations trapped in a hydrogen bonded polymer with diamide linkers","RSC Advances","2020","10","10","6082","6087","10.1039/C9RA10090C","","","0.71073","MoKα","","0.027","0.0192","","","0.0394","0.042","","","","","","1.068","","","","has coordinates,has disorder","257967","2020-10-21","18:00:00",""
"7239910","9.8264","0.001","10.7164","0.0011","19.517","0.002","90","","103.175","0.004","90","","2001.1","0.4","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 N10 Np O22 -","- C28 H46 N10 Np O22 -","- C56 H92 N20 Np2 O44 -","2","0.5","","Takao, Koichiro; März, Juliane; Matsuoka, Moe; Mashita, Takanori; Kazama, Hiroyuki; Tsushima, Satoru","Crystallization of colourless hexanitratoneptunate(iv) with anhydrous H+ countercations trapped in a hydrogen bonded polymer with diamide linkers","RSC Advances","2020","10","10","6082","6087","10.1039/C9RA10090C","","","0.71073","MoKα","","0.0268","0.0188","","","0.0588","0.0691","","","","","","1.34","","","","has coordinates","257967","2020-10-21","18:00:00",""
"7239911","9.1964","0.0018","13.197","0.003","14.447","0.003","90","","90","","90","","1753.4","0.6","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C16 H13 Gd O12 -","- C16 H13 Gd O12 -","- C64 H52 Gd4 O48 -","4","0.5","","Wang, Xue-Ting; Wei, Wei; Zhang, Kai; Du, Shao-Wu","A stable LnMOF as a highly efficient and selective luminescent sensor for detecting malachite green in water and real samples","RSC Advances","2020","10","11","6129","6134","10.1039/C9RA10870J","","","0.71073","MoKα","","0.024","0.0233","","","0.053","0.0534","","","","","","1.135","","","","has coordinates","258134","2020-10-21","18:00:00",""
"7239912","9.2104","0.0018","13.203","0.003","14.465","0.003","90","","90","","90","","1759","0.6","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C16 H13 Eu O12 -","- C16 H13 Eu O12 -","- C64 H52 Eu4 O48 -","4","0.5","","Wang, Xue-Ting; Wei, Wei; Zhang, Kai; Du, Shao-Wu","A stable LnMOF as a highly efficient and selective luminescent sensor for detecting malachite green in water and real samples","RSC Advances","2020","10","11","6129","6134","10.1039/C9RA10870J","","","0.71073","MoKα","","0.0244","0.0239","","","0.0529","0.0531","","","","","","1.138","","","","has coordinates","258134","2020-10-21","18:00:00",""
"7239913","9.1988","0.0018","13.161","0.003","14.406","0.003","90","","90","","90","","1744.1","0.6","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C16 H13 O12 Tb -","- C16 H13 O12 Tb -","- C64 H52 O48 Tb4 -","4","0.5","","Wang, Xue-Ting; Wei, Wei; Zhang, Kai; Du, Shao-Wu","A stable LnMOF as a highly efficient and selective luminescent sensor for detecting malachite green in water and real samples","RSC Advances","2020","10","11","6129","6134","10.1039/C9RA10870J","","","0.71073","MoKα","","0.0299","0.0293","","","0.073","0.0736","","","","","","1.106","","","","has coordinates","258134","2020-10-21","18:00:00",""
"7239914","19.329","0.004","18.257","0.004","23.014","0.004","90","","107.892","0.003","90","","7729","3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C144 H98 Dy8 N24 O61 -","- C144 H98 Dy8 N24 O61 -","- C288 H196 Dy16 N48 O122 -","2","0.5","","Li, Rong-fang; Li, Rui-hao; Liu, Xin-fang; Chang, Xin-hong; Feng, Xun","Lanthanide complexes based on a conjugated pyridine carboxylate ligand: structures, luminescence and magnetic properties","RSC Advances","2020","10","11","6192","6199","10.1039/C9RA10975G","","","0.71073","MoKα","","0.0676","0.0495","","","0.1336","0.1502","","","","","","1.009","","","","has coordinates","258135","2020-10-21","18:00:00",""
"7239915","6.78","0.002","27.939","0.008","11.546","0.004","90","","101.63","0.004","90","","2142.2","1.2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 N4 O9 Sm -","- C24 H14 N4 O9 Sm -","- C96 H56 N16 O36 Sm4 -","4","1","","Li, Rong-fang; Li, Rui-hao; Liu, Xin-fang; Chang, Xin-hong; Feng, Xun","Lanthanide complexes based on a conjugated pyridine carboxylate ligand: structures, luminescence and magnetic properties","RSC Advances","2020","10","11","6192","6199","10.1039/C9RA10975G","","","0.71073","MoKα","","0.0255","0.0229","","","0.0603","0.0661","","","","","","1.0491","","","","has coordinates","258135","2020-10-21","18:00:00",""
"7239916","19.3527","0.0003","18.2613","0.0003","23.1008","0.0004","90","","107.756","0.002","90","","7775","0.2","296.8","0.4","296.8","0.4","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C144 H98 N24 O61 Tb8 -","- C144 H98 N24 O61 Tb8 -","- C288 H196 N48 O122 Tb16 -","2","0.5","","Li, Rong-fang; Li, Rui-hao; Liu, Xin-fang; Chang, Xin-hong; Feng, Xun","Lanthanide complexes based on a conjugated pyridine carboxylate ligand: structures, luminescence and magnetic properties","RSC Advances","2020","10","11","6192","6199","10.1039/C9RA10975G","","x-ray","0.71073","MoKα","","0.0349","0.0279","","","0.0603","0.0626","","","","","","1.048","","","","has coordinates","258135","2020-10-21","18:00:00",""
"7239917","10.7183","0.0012","13.8384","0.0016","14.7191","0.0017","95.994","0.002","98.595","0.002","99.932","0.002","2107.2","0.4","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H28 N6 -","- C50 H28 N6 -","- C100 H56 N12 -","2","1","","Wang, Kai; Xiao, Hui; Qian, Li; Han, Mingxi; Wu, Xianfeng; Guo, Zhiyong; Zhan, Hongbing","Diversified AIE and mechanochromic luminescence based on carbazole derivatives decorated dicyanovinyl groups: Effects of Substitution Site and Molecular Packing","CrystEngComm","2020","","","","","10.1039/C9CE01958H","","","0.71073","MoKα","","0.1473","0.0884","","","0.2545","0.2818","","","","","","0.993","","","","has coordinates","248064","2020-10-21","18:00:00",""
"7239918","9.681","0.003","10.53","0.003","12.299","0.003","65.887","0.005","70.323","0.005","85.583","0.006","1074.9","0.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H16 Cl2 N3 -","- C26 H16 Cl2 N3 -","- C52 H32 Cl4 N6 -","2","1","","Wang, Kai; Xiao, Hui; Qian, Li; Han, Mingxi; Wu, Xianfeng; Guo, Zhiyong; Zhan, Hongbing","Diversified AIE and mechanochromic luminescence based on carbazole derivatives decorated dicyanovinyl groups: Effects of Substitution Site and Molecular Packing","CrystEngComm","2020","","","","","10.1039/C9CE01958H","","","0.71073","MoKα","","0.0967","0.0691","","","0.1843","0.2165","","","","","","1.048","","","","has coordinates","248064","2020-10-21","18:00:00",""
"7239919","3.934","0.0008","14.576","0.003","16.601","0.003","71.17","0.03","87.33","0.03","82.84","0.03","893.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 F4 I2 N4 O4 -","- C40 H20 F4 I2 N4 O4 -","- C40 H20 F4 I2 N4 O4 -","1","0.5","","Setter, Caitlin J.; Whittaker, Jacob J.; Brock, Aidan J.; Arachchige, Kasun; McMurtrie, John; Clegg, Jack Kay; Pfrunder, Michael Craig","Straightening Out Halogen Bonds","CrystEngComm","2020","","","","","10.1039/D0CE00176G","","","0.7108","synchrotron","","0.0301","0.0297","","","0.084","0.0844","","","","","","1.044","","","","has coordinates","248065","2020-10-21","18:00:00",""
"7239920","3.85","0.0008","14.124","0.003","26.384","0.005","93.98","0.03","91.69","0.03","92.08","0.03","1429.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H22 N4 O4.25 -","- C35 H22 N4 O4.25 -","- C70 H44 N8 O8.5 -","2","1","","Setter, Caitlin J.; Whittaker, Jacob J.; Brock, Aidan J.; Arachchige, Kasun; McMurtrie, John; Clegg, Jack Kay; Pfrunder, Michael Craig","Straightening Out Halogen Bonds","CrystEngComm","2020","","","","","10.1039/D0CE00176G","","","0.7108","Synchrotron","","0.1383","0.1192","","","0.354","0.3645","","","","","","1.151","","","","has coordinates,has disorder","248065","2020-10-21","18:00:00",""
"7239921","7.136","0.0014","12.568","0.003","14.975","0.003","90","","94.29","0.03","90","","1339.3","0.5","100","2","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H10 N2 O2 -","- C17 H10 N2 O2 -","- C68 H40 N8 O8 -","4","0.5","","Setter, Caitlin J.; Whittaker, Jacob J.; Brock, Aidan J.; Arachchige, Kasun; McMurtrie, John; Clegg, Jack Kay; Pfrunder, Michael Craig","Straightening Out Halogen Bonds","CrystEngComm","2020","","","","","10.1039/D0CE00176G","","","0.7108","synchrotron","","0.1153","0.1062","","","0.3106","0.3161","","","","","","1.282","","","","has coordinates,has disorder","248065","2020-10-21","18:00:00",""
"7239922","13.6199","0.0003","12.0853","0.0003","23.023","0.0005","90","","98.247","0.002","90","","3750.41","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 Cu2 N13 O14 -","- C32 H29 Cu2 N13 O14 -","- C128 H116 Cu8 N52 O56 -","4","1","","Hong, ZhaoGuo; Zheng, Chu; Luo, Bi; You, Xin; Bian, HeDong; Liang, Hong; Chen, ZhenFeng; Huang, FuPing","Two groups of copperII pyridine‒triazole complexes with “open or close” pepper rings and their in vitro antitumor activities","RSC Advances","2020","10","11","6297","6305","10.1039/C9RA10677D","","x-ray","0.71073","MoKα","","0.0584","0.0402","","","0.0997","0.1094","","","","","","1.024","","","","has coordinates","258132","2020-10-21","18:00:00",""
"7239923","10.616","0.003","7.3808","0.0018","10.876","0.003","90","","100.629","0.004","90","","837.6","0.4","296","2","296","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H14 Cu N4 O7 S -","- C15 H14 Cu N4 O7 S -","- C30 H28 Cu2 N8 O14 S2 -","2","1","","Hong, ZhaoGuo; Zheng, Chu; Luo, Bi; You, Xin; Bian, HeDong; Liang, Hong; Chen, ZhenFeng; Huang, FuPing","Two groups of copperII pyridine‒triazole complexes with “open or close” pepper rings and their in vitro antitumor activities","RSC Advances","2020","10","11","6297","6305","10.1039/C9RA10677D","","","0.71073","MoKα","","0.0363","0.0284","","","0.06","0.0622","","","","","","1.051","","","","has coordinates","258132","2020-10-21","18:00:00",""
"7239924","8.6128","0.0004","18.23","0.0007","21.5956","0.0009","90","","94.99","0.004","90","","3377.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Cl2 Cu N8 O12 -","- C30 H28 Cl2 Cu N8 O12 -","- C120 H112 Cl8 Cu4 N32 O48 -","4","1","","Hong, ZhaoGuo; Zheng, Chu; Luo, Bi; You, Xin; Bian, HeDong; Liang, Hong; Chen, ZhenFeng; Huang, FuPing","Two groups of copperII pyridine‒triazole complexes with “open or close” pepper rings and their in vitro antitumor activities","RSC Advances","2020","10","11","6297","6305","10.1039/C9RA10677D","","x-ray","0.71073","MoKα","","0.0895","0.0639","","","0.1787","0.2002","","","","","","1.046","","","","has coordinates","258132","2020-10-21","18:00:00",""
"7239925","10.2362","0.0005","17.597","0.0006","10.3334","0.001","90","","109.474","0.008","90","","1754.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H14.5 Cl2 Cu N4 O2.25 -","- C15 H14 Cl2 Cu N4 O2.25 -","- C60 H56 Cl8 Cu4 N16 O9 -","4","1","","Hong, ZhaoGuo; Zheng, Chu; Luo, Bi; You, Xin; Bian, HeDong; Liang, Hong; Chen, ZhenFeng; Huang, FuPing","Two groups of copperII pyridine‒triazole complexes with “open or close” pepper rings and their in vitro antitumor activities","RSC Advances","2020","10","11","6297","6305","10.1039/C9RA10677D","","x-ray","0.71073","MoKα","","0.0766","0.0541","","","0.1551","0.1724","","","","","","1.045","","","","has coordinates","258132","2020-10-21","18:00:00",""
"7239926","9.6197","0.0012","22.809","0.003","13.0632","0.0012","90","","127.446","0.006","90","","2275.6","0.5","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl2 Cu N4 O4 S2 -","- C18 H22 Cl2 Cu N4 O4 S2 -","- C72 H88 Cl8 Cu4 N16 O16 S8 -","4","1","","Hong, ZhaoGuo; Zheng, Chu; Luo, Bi; You, Xin; Bian, HeDong; Liang, Hong; Chen, ZhenFeng; Huang, FuPing","Two groups of copperII pyridine‒triazole complexes with “open or close” pepper rings and their in vitro antitumor activities","RSC Advances","2020","10","11","6297","6305","10.1039/C9RA10677D","","","0.71073","MoKα","","0.0325","0.0279","","","0.0812","0.0842","","","","","","1.095","","","","has coordinates","258132","2020-10-21","18:00:00",""
"7239927","11.071","0.0006","33.288","0.002","26.7627","0.0011","90","","100.081","0.005","90","","9710.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu2 N10 O11 -","- C28 H18 Cu2 N10 O10 -","- C336 H216 Cu24 N120 O120 -","12","3","","Hong, ZhaoGuo; Zheng, Chu; Luo, Bi; You, Xin; Bian, HeDong; Liang, Hong; Chen, ZhenFeng; Huang, FuPing","Two groups of copperII pyridine‒triazole complexes with “open or close” pepper rings and their in vitro antitumor activities","RSC Advances","2020","10","11","6297","6305","10.1039/C9RA10677D","","x-ray","0.71073","MoKα","","0.1977","0.1063","","","0.2169","0.2663","","","","","","1.024","","","","has coordinates","258132","2020-10-21","18:00:00",""
"7239928","7.5587","0.0004","8.8898","0.0007","12.5059","0.0007","74.341","0.006","74.736","0.005","67.915","0.006","737.35","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C36 H36 N4 O4 -","2","1","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","0.71073","MoKα","","0.0535","0.0448","","","0.1028","0.1089","","","","","","1.07","","","","has coordinates","258133","2020-10-21","18:00:00",""
"7239929","9.897","0.0003","9.847","0.0003","14.2912","0.0005","90","","93.032","0.003","90","","1390.81","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 N3 -","- C15 H21 N3 -","- C60 H84 N12 -","4","1","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.0559","0.0482","","","0.1314","0.138","","","","","","1.08","","","","has coordinates","258133","2020-10-21","18:00:00",""
"7239930","10.5993","0.0003","11.9893","0.0004","28.8362","0.0008","90","","90","","90","","3664.45","0.19","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H16 N4 S3 -","- C19 H16 N4 S3 -","- C152 H128 N32 S24 -","8","1","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.041","0.0349","","","0.0879","0.0911","","","","","","1.058","","","","has coordinates,has disorder","258133","2020-10-21","18:00:00",""
"7239931","4.4117","0.0004","11.8292","0.0013","12.0532","0.0011","97.48","0.008","97.624","0.007","93.401","0.008","616.27","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H12 N4 -","- C14 H12 N4 -","- C28 H24 N8 -","2","1","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.0783","0.0584","","","0.1834","0.1896","","","","","","1.3","","","","has coordinates","258133","2020-10-21","18:00:00",""
"7239932","11.7806","0.0004","14.4288","0.0004","11.4659","0.0003","90","","90","","90","","1948.97","0.1","100","2","100","2","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C25 H22 N4 -","- C25 H22 N4 -","- C100 H88 N16 -","4","1","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.0335","0.0308","","","0.0741","0.0754","","","","","","1.077","","","","has coordinates","258133","2020-10-21","18:00:00",""
"7239933","11.8744","0.0003","14.4778","0.0004","17.3921","0.0004","89.485","0.002","80.497","0.002","72.612","0.002","2811.59","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N3 S -","- C16 H15 N3 S -","- C128 H120 N24 S8 -","8","4","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.0508","0.045","","","0.1242","0.1272","","","","","","1.102","","","","has coordinates,has disorder","258133","2020-10-21","18:00:00",""
"7239934","12.3235","0.0003","14.5512","0.0003","13.93","0.0003","90","","109.772","0.003","90","","2350.69","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 -","- C14 H11 N3 -","- C112 H88 N24 -","8","2","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.0382","0.035","","","0.0896","0.0917","","","","","","1.058","","","","has coordinates","258133","2020-10-21","18:00:00",""
"7239935","4.0579","0.00012","20.9622","0.0007","21.68","0.0006","90","","91.982","0.003","90","","1843.05","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N5 S -","- C22 H19 N5 S -","- C88 H76 N20 S4 -","4","1","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.0473","0.0377","","","0.1014","0.1081","","","","","","1.041","","","","has coordinates,has disorder","258133","2020-10-21","18:00:00",""
"7239936","19.9809","0.0013","17.0776","0.0011","5.5951","0.0003","90","","90","","90","","1909.2","0.2","100","2","100","2","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C24 H21 N5 -","- C24 H21 N5 -","- C96 H84 N20 -","4","1","","Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system","RSC Advances","2020","10","11","6576","6583","10.1039/C9RA10866A","","","1.54184","CuKα","","0.0499","0.0435","","","0.1034","0.1085","","","","","","1.08","","","","has coordinates","258133","2020-10-21","18:00:00",""
"7239937","9.9087","0.0002","12.9484","0.0003","22.1427","0.0007","90","","100.956","0.003","90","","2789.17","0.13","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 N2 -","- C40 H26 N2 -","- C160 H104 N8 -","4","1","","Chen, Guowei; Chen, Wen-Cheng; Ji, Shaomin; Zhou, Peiqi; CAI, Ning; zhan, yingying; Liang, Hui; Tan, Jihua; Pan, Chengqiang; Huo, Yanping","Polymorphic mechanoresponsive luminescent material based on fluorene-phenanthroimidazole hybrid by modulation of intramolecular conformation and intermolecular interaction","CrystEngComm","2020","","","","","10.1039/D0CE00006J","","","1.54178","CuKα","","0.0595","0.0535","","","0.1396","0.1484","","","","","","1.037","","","","has coordinates","248195","2020-10-21","18:00:00",""
"7239938","56.364","0.003","15.9827","0.0009","6.1539","0.0003","90","","90","","90","","5543.7","0.5","293.52","0.16","293.52","0.16","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C40 H26 N2 -","- C40 H26 N2 -","- C320 H208 N16 -","8","2","","Chen, Guowei; Chen, Wen-Cheng; Ji, Shaomin; Zhou, Peiqi; CAI, Ning; zhan, yingying; Liang, Hui; Tan, Jihua; Pan, Chengqiang; Huo, Yanping","Polymorphic mechanoresponsive luminescent material based on fluorene-phenanthroimidazole hybrid by modulation of intramolecular conformation and intermolecular interaction","CrystEngComm","2020","","","","","10.1039/D0CE00006J","","x-ray","1.54184","CuKα","","0.1264","0.0887","","","0.2357","0.2664","","","","","","1.059","","","","has coordinates","248195","2020-10-21","18:00:00",""
"7239939","11.8562","0.0008","13.4286","0.0009","13.4659","0.0005","77.628","0.004","86.612","0.004","68.539","0.006","1948.5","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H35 Cl2 N2 -","- C53 H35 Cl2 N2 -","- C106 H70 Cl4 N4 -","2","1","","Chen, Guowei; Chen, Wen-Cheng; Ji, Shaomin; Zhou, Peiqi; CAI, Ning; zhan, yingying; Liang, Hui; Tan, Jihua; Pan, Chengqiang; Huo, Yanping","Polymorphic mechanoresponsive luminescent material based on fluorene-phenanthroimidazole hybrid by modulation of intramolecular conformation and intermolecular interaction","CrystEngComm","2020","","","","","10.1039/D0CE00006J","","","1.54184","CuKα","","0.1832","0.1254","","","0.2505","0.2946","","","","","","1.076","","","","has coordinates","248195","2020-10-21","18:00:00",""
"7239940","11.081","0.002","13.386","0.003","15.426","0.003","83.38","0.03","83.88","0.03","88.67","0.03","2259.8","0.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H28 Cl4 Co N6 -","- C50 H28 Cl4 Co N6 -","- C100 H56 Cl8 Co2 N12 -","2","1","","Guergueb, Mouhieddinne; Nasri, Soumaya; Brahmi, Jihed; Loiseau, Frédérique; Molton, Florian; Roisnel, Thierry; Guerineau, Vincent; Turowska-Tyrk, Ilona; Aouadi, Kaïss; Nasri, Habib","Effect of the coordination of π-acceptor 4-cyanopyridine ligand on the structural and electronic properties of meso-tetra(para-methoxy) and meso-tetra(para-chlorophenyl) porphyrin cobalt(ii) coordination compounds. Application in the catalytic degradation of methylene blue dye","RSC Advances","2020","10","12","6900","6918","10.1039/C9RA08504A","","","0.71073","MoKα","","0.0821","0.0638","","","0.1801","0.2025","","","","","","1.131","","","","has coordinates,has disorder","258142","2020-10-21","18:00:00",""
"7239941","36.676","0.004","13.4126","0.0015","19.944","0.002","90","","103.378","0.004","90","","9544.6","1.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H41 Cl3 Co N6 O4 -","- C55 H41 Cl3 Co N6 O4 -","- C440 H328 Cl24 Co8 N48 O32 -","8","1","","Guergueb, Mouhieddinne; Nasri, Soumaya; Brahmi, Jihed; Loiseau, Frédérique; Molton, Florian; Roisnel, Thierry; Guerineau, Vincent; Turowska-Tyrk, Ilona; Aouadi, Kaïss; Nasri, Habib","Effect of the coordination of π-acceptor 4-cyanopyridine ligand on the structural and electronic properties of meso-tetra(para-methoxy) and meso-tetra(para-chlorophenyl) porphyrin cobalt(ii) coordination compounds. Application in the catalytic degradation of methylene blue dye","RSC Advances","2020","10","12","6900","6918","10.1039/C9RA08504A","","","0.71073","MoKα","","0.086","0.0683","","","0.1695","0.1847","","","","","","1.033","","","","has coordinates,has disorder","258142","2020-10-21","18:00:00",""
"7239942","27.451","0.013","13.802","0.006","44.77","0.02","90","","103.479","0.007","90","","16495","13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H111 O32 P7 Ti5 -","- C46 H110 O32 P7 Ti5 -","- C368 H880 O256 P56 Ti40 -","8","1","","Svensson, Fredric G.; Daniel, Geoffrey; Tai, Cheuk-Wai; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Titanium phosphonate oxo-alkoxide “clusters”: solution stability and facile hydrolytic transformation into nano titania","RSC Advances","2020","10","12","6873","6883","10.1039/C9RA10691J","","","0.71073","MoKα","","0.1336","0.093","","","0.2273","0.242","","","","","","1.073","","","","has coordinates","258143","2020-10-21","18:00:00",""
"7239943","13.546","0.014","16.293","0.017","18.665","0.02","90","","97.604","0.013","90","","4083","7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H116 O34 P8 Ti4 -","- C48 H116 O34 P8 Ti4 -","- C96 H232 O68 P16 Ti8 -","2","0.5","","Svensson, Fredric G.; Daniel, Geoffrey; Tai, Cheuk-Wai; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Titanium phosphonate oxo-alkoxide “clusters”: solution stability and facile hydrolytic transformation into nano titania","RSC Advances","2020","10","12","6873","6883","10.1039/C9RA10691J","","","0.71073","MoKα","","0.1185","0.0633","","","0.1529","0.171","","","","","","1.101","","","","has coordinates","258143","2020-10-21","18:00:00",""
"7239944","25.01","0.005","13.95","0.003","22.82","0.005","90","","115.44","0.03","90","","7190","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H92 O24 P4 Ti4 -","- C48 H92 O24 P4 Ti4 -","- C192 H368 O96 P16 Ti16 -","4","0.5","","Svensson, Fredric G.; Daniel, Geoffrey; Tai, Cheuk-Wai; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Titanium phosphonate oxo-alkoxide “clusters”: solution stability and facile hydrolytic transformation into nano titania","RSC Advances","2020","10","12","6873","6883","10.1039/C9RA10691J","","","0.71073","MoKα","","0.1185","0.086","","","0.2398","0.2584","","","","","","1.049","","","","has coordinates","258143","2020-10-21","18:00:00",""
"7239945","10.918","0.005","11.667","0.006","19.845","0.01","98.141","0.006","90.067","0.006","116.79","0.005","2227.7","1.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H69 O16 P Ti4 -","- C28 H41 O16 P Ti4 -","- C56 H82 O32 P2 Ti8 -","2","1","","Svensson, Fredric G.; Daniel, Geoffrey; Tai, Cheuk-Wai; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Titanium phosphonate oxo-alkoxide “clusters”: solution stability and facile hydrolytic transformation into nano titania","RSC Advances","2020","10","12","6873","6883","10.1039/C9RA10691J","","","0.71073","MoKα","","0.1383","0.0947","","","0.2007","0.2175","","","","","","0.843","","","","has coordinates","258143","2020-10-21","18:00:00",""
"7239946","12.921","0.004","20.151","0.006","17.426","0.005","90","","105.719","0.008","90","","4368","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H116 O34 P8 Ti4 -","- C44.368 H101.444 O32.964 P8 Ti4 -","- C88.736 H202.888 O65.928 P16 Ti8 -","2","0.5","","Svensson, Fredric G.; Daniel, Geoffrey; Tai, Cheuk-Wai; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Titanium phosphonate oxo-alkoxide “clusters”: solution stability and facile hydrolytic transformation into nano titania","RSC Advances","2020","10","12","6873","6883","10.1039/C9RA10691J","","","0.71073","MoKα","","0.1658","0.1043","","","0.2303","0.2476","","","","","","1.152","","","","has coordinates","258143","2020-10-21","18:00:00",""
"7239947","11.667","0.005","12.635","0.007","17.668","0.009","94.311","0.012","105.875","0.01","111.946","0.01","2277","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H128 O36 P2 Ti10 -","- C52 H128 O36 P2 Ti10 -","- C52 H128 O36 P2 Ti10 -","1","0.5","","Svensson, Fredric G.; Daniel, Geoffrey; Tai, Cheuk-Wai; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Titanium phosphonate oxo-alkoxide “clusters”: solution stability and facile hydrolytic transformation into nano titania","RSC Advances","2020","10","12","6873","6883","10.1039/C9RA10691J","","","0.71073","MoKα","","0.1143","0.0804","","","0.2055","0.2262","","","","","","0.974","","","","has coordinates","258143","2020-10-21","18:00:00",""
"7239948","13.141","0.003","14.492","0.004","19.519","0.008","96.504","0.004","99.449","0.005","113.033","0.003","3309.3","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H91 O26 P4 Ti6 -","- C38 H91 O26 P4 Ti6 -","- C76 H182 O52 P8 Ti12 -","2","1","","Svensson, Fredric G.; Daniel, Geoffrey; Tai, Cheuk-Wai; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Titanium phosphonate oxo-alkoxide “clusters”: solution stability and facile hydrolytic transformation into nano titania","RSC Advances","2020","10","12","6873","6883","10.1039/C9RA10691J","","","0.71073","MoKα","","0.0683","0.0481","","","0.1019","0.1076","","","","","","1.039","","","","has coordinates","258143","2020-10-21","18:00:00",""
"7239949","9.8268","0.0007","15.4881","0.0011","10.5137","0.0007","90","","101.433","0.001","90","","1568.42","0.19","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H28 Cu Gd N9 O7 -","- C28 H28 Cu Gd N9 O7 -","- C56 H56 Cu2 Gd2 N18 O14 -","2","1","","Zhou, Zhuoqiang; Li, Ming-Xing; Sui, Yan; Nfor, Emmanuel N.; Wang, Zhao-Xi","Two 1D homochiral heterometallic chains: crystal structures, spectra, ferroelectricity and ferromagnetic properties","RSC Advances","2020","10","12","7004","7010","10.1039/D0RA00732C","","","0.71073","MoKα","","0.025","0.0237","","","0.0738","0.0843","","","","","","1.083","","","","has coordinates","258146","2020-10-21","18:00:00",""
"7239950","9.862","0.003","15.473","0.005","10.493","0.003","90","","101.542","0.004","90","","1568.8","0.8","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H28 Cu Ho N9 O7 -","- C28 H28 Cu Ho N9 O7 -","- C56 H56 Cu2 Ho2 N18 O14 -","2","1","","Zhou, Zhuoqiang; Li, Ming-Xing; Sui, Yan; Nfor, Emmanuel N.; Wang, Zhao-Xi","Two 1D homochiral heterometallic chains: crystal structures, spectra, ferroelectricity and ferromagnetic properties","RSC Advances","2020","10","12","7004","7010","10.1039/D0RA00732C","","","0.71073","MoKα","","0.0219","0.0212","","","0.0592","0.0597","","","","","","1.077","","","","has coordinates","258146","2020-10-21","18:00:00",""
"7239951","12.6327","0.0006","15.2434","0.0007","15.98","0.0007","102.027","0.002","105.432","0.002","112.595","0.002","2566.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H27 N O6 -","- C33 H27 N O6 -","- C132 H108 N4 O24 -","4","2","","Largeron, Martine; Deschamps, Patrick; Hammad, Karim; Fleury, Maurice-Bernard","A dual biomimetic process for the selective aerobic oxidative coupling of primary amines using pyrogallol as a precatalyst. Isolation of the [5 + 2] cycloaddition redox intermediates","Green Chemistry","2020","22","6","1894","1905","10.1039/C9GC03992A","","","1.54178","CuKα","","0.0427","0.0375","","","0.0998","0.1045","","","","","","1.011","","","","has coordinates,has disorder","257598","2020-10-21","18:00:00",""
"7239952","5.6742","0.0002","8.7921","0.0004","13.5713","0.0005","103.259","0.001","95.099","0.001","95.624","0.001","651.48","0.04","100","2","100","1","","","","","","","","3","P -1","-P 1","2","(E)-N-(2,3-dihydro-1H-inden-2-yl)-1(p-tolyl)methanimine","","","- C17 H17 N -","- C17 H17 N -","- C34 H34 N2 -","2","1","","Largeron, Martine; Deschamps, Patrick; Hammad, Karim; Fleury, Maurice-Bernard","A dual biomimetic process for the selective aerobic oxidative coupling of primary amines using pyrogallol as a precatalyst. Isolation of the [5 + 2] cycloaddition redox intermediates","Green Chemistry","2020","22","6","1894","1905","10.1039/C9GC03992A","","","1.54178","CuKα","","0.0464","0.0439","","","0.1096","0.1122","","","","","","1.072","","","","has coordinates","257598","2020-10-21","18:00:00",""
"7239953","10.388","0.0004","10.8621","0.0004","11.9356","0.0004","103.368","0.001","111.316","0.001","90.267","0.001","1214.77","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2-cyclopropyl-1-phenyl-1H-benzoimidazole","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","2","","Largeron, Martine; Deschamps, Patrick; Hammad, Karim; Fleury, Maurice-Bernard","A dual biomimetic process for the selective aerobic oxidative coupling of primary amines using pyrogallol as a precatalyst. Isolation of the [5 + 2] cycloaddition redox intermediates","Green Chemistry","2020","22","6","1894","1905","10.1039/C9GC03992A","","","1.54178","CuKα","","0.0327","0.0314","","","0.0776","0.0784","","","","","","1.099","","","","has coordinates","257598","2020-10-21","18:00:00",""
"7239954","9.4255","0.001","12.9799","0.0013","24.692","0.002","90","","92.779","0.003","90","","3017.3","0.5","283","2","283.36","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C160 H120 N8 O16 -","8","2","","Liu, Renfei; Zhu, Guanxing; Zhang, Gang","N-Substitution of acridone with electron-donating groups: crystal packing, intramolecular charge transfer and tuneable aggregation induced emission","RSC Advances","2020","10","12","7092","7098","10.1039/C9RA10615D","","x-ray","0.71076","MoKα","","0.2532","0.1289","","","0.1506","0.186","","","","","","1.203","","","","has coordinates","258145","2020-10-21","18:00:00",""
"7239955","9.8465","0.0008","12.7204","0.001","13.4275","0.001","69.672","0.002","71.642","0.002","77.107","0.002","1484.5","0.2","296.36","","296.36","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H32 N4 O -","- C39 H30 N2 O3 -","- C78 H60 N4 O6 -","2","1","","Liu, Renfei; Zhu, Guanxing; Zhang, Gang","N-Substitution of acridone with electron-donating groups: crystal packing, intramolecular charge transfer and tuneable aggregation induced emission","RSC Advances","2020","10","12","7092","7098","10.1039/C9RA10615D","","x-ray","0.71076","MoKα","","0.1916","0.0852","","","0.112","0.1365","","","","","","1.06","","","","has coordinates","258145","2020-10-21","18:00:00",""
"7239956","11.3406","0.0005","9.8838","0.0005","23.649","0.0012","90","","100.092","0.001","90","","2609.8","0.2","293.3","","293.3","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 N2 O3 -","- C33 H26 N2 O3 -","- C132 H104 N8 O12 -","4","1","","Liu, Renfei; Zhu, Guanxing; Zhang, Gang","N-Substitution of acridone with electron-donating groups: crystal packing, intramolecular charge transfer and tuneable aggregation induced emission","RSC Advances","2020","10","12","7092","7098","10.1039/C9RA10615D","","x-ray","0.71076","MoKα","","0.1695","0.0748","","","0.1239","0.1516","","","","","","1.024","","","","has coordinates","258145","2020-10-21","18:00:00",""
"7239957","9.1237","0.0005","13.4076","0.0007","14.8525","0.0008","83.392","0.004","87.801","0.005","74.413","0.005","1738.36","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 I4 N6 Ni Pb -","- C30 H22 I4 N6 Ni Pb -","- C60 H44 I8 N12 Ni2 Pb2 -","2","1","","Zhang, Yongli; Zang, Meixiu; Yin, Hang; Liu, Peng; Xian, Yeming; Li, Wenzhe","Dimensionally and Structurally Controllable Perovskite Single Crystals: Nickle(II)-Terpyridine-Complex (Ni-Tpy2) Based Perovskites","CrystEngComm","2020","","","","","10.1039/C9CE02004G","","x-ray","0.71073","MoKα","","0.0938","0.0572","","","0.1036","0.1238","","","","","","1.019","","","","has coordinates","248271","2020-10-21","18:00:00",""
"7239958","29.1712","0.0002","29.1712","0.0002","29.1712","0.0002","90","","90","","90","","24823.5","0.3","100","0.1","100","0.1","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C30 H22 I6 N6 Ni Pb2 -","- C30 H22 I6 N6 Ni Pb2 -","- C720 H528 I144 N144 Ni24 Pb48 -","24","0.5","","Zhang, Yongli; Zang, Meixiu; Yin, Hang; Liu, Peng; Xian, Yeming; Li, Wenzhe","Dimensionally and Structurally Controllable Perovskite Single Crystals: Nickle(II)-Terpyridine-Complex (Ni-Tpy2) Based Perovskites","CrystEngComm","2020","","","","","10.1039/C9CE02004G","","x-ray","0.71073","MoKα","","0.0204","0.0176","","","0.0279","0.0283","","","","","","1.029","","","","has coordinates","248271","2020-10-21","18:00:00",""
"7239959","10.1531","0.0003","19.0353","0.0006","30.5736","0.0011","90","","90.798","0.003","90","","5908.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 I6 N6 Pb3 -","- C30 H22 I6 N6 Pb3 -","- C180 H132 I36 N36 Pb18 -","6","1.5","","Zhang, Yongli; Zang, Meixiu; Yin, Hang; Liu, Peng; Xian, Yeming; Li, Wenzhe","Dimensionally and Structurally Controllable Perovskite Single Crystals: Nickle(II)-Terpyridine-Complex (Ni-Tpy2) Based Perovskites","CrystEngComm","2020","","","","","10.1039/C9CE02004G","","x-ray","0.71073","MoKα","","0.0552","0.0338","","","0.0577","0.0638","","","","","","1.031","","","","has coordinates","248271","2020-10-21","18:00:00",""
"7239960","22.3909","0.0006","8.5089","0.0002","39.5465","0.0009","90","","90","","90","","7534.5","0.3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C60 H44 I10 N12 Ni2 Pb3 -","- C60 H44 I10 N12 Ni2 Pb3 -","- C240 H176 I40 N48 Ni8 Pb12 -","4","1","","Zhang, Yongli; Zang, Meixiu; Yin, Hang; Liu, Peng; Xian, Yeming; Li, Wenzhe","Dimensionally and Structurally Controllable Perovskite Single Crystals: Nickle(II)-Terpyridine-Complex (Ni-Tpy2) Based Perovskites","CrystEngComm","2020","","","","","10.1039/C9CE02004G","","x-ray","0.71073","MoKα","","0.0749","0.0474","","","0.1038","0.114","","","","","","1.046","","","","has coordinates","248271","2020-10-21","18:00:00",""
"7239961","8.398","0.005","7.421","0.005","13.749","0.007","90","","99.9","0.05","90","","844.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 N O S -","- C9 H5 N O S -","- C36 H20 N4 O4 S4 -","4","1","","He, Dongdong; Yao, Jiaojiao; Ma, Boling; Wei, Jinghao; Hao, Guangguo; Tuo, Xun; Guo, Shengmei; Fu, Zhengjiang; Cai, Hu","An electrochemical method for deborylative seleno/thiocyanation of arylboronic acids under catalyst- and oxidant-free conditions","Green Chemistry","2020","22","5","1559","1564","10.1039/C9GC03797G","","","0.71073","MoKα","","0.1066","0.0905","","","0.1814","0.1828","","","","","","3.633","","","","has coordinates","257584","2020-10-21","18:00:00",""
"7239962","10.5685","0.0006","8.4986","0.0006","16.7749","0.0014","90","","96.93","0.006","90","","1495.67","0.19","292.08","0.1","292.08","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 F N3 -","- C19 H12 F N3 -","- C76 H48 F4 N12 -","4","1","","Bae, Gi Hun; Kim, Suzi; Lee, Na Keum; Dagar, Anuradha; Lee, Jeong Hwa; Lee, Jeeyeon; Kim, Ikyon","Facile approach to benzo[d]imidazole-pyrrolo[1,2-a]pyrazine hybrid structures through double cyclodehydration and aromatization and their unique optical properties with blue emission","RSC Advances","2020","10","12","7265","7288","10.1039/D0RA01140A","","x-ray","0.71073","MoKα","","0.1375","0.0571","","","0.1182","0.1534","","","","","","1.03","","","","has coordinates","258144","2020-10-21","18:00:00",""
"7239963","27.838","0.0016","27.838","0.0016","28.8132","0.0008","90","","90","","120","","19337.4","1.7","100","2","100","2","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C36 H69 Br3 N12 O54 Rh4 S12 Zn4 -","- C36 H69 Br3 N12 O54 Rh4 S12 Zn4 -","- C216 H414 Br18 N72 O324 Rh24 S72 Zn24 -","6","0.5","","Yamashita, Ukyo; Yoshinari, Nobuto; Sodkhomkhum, Rapheepraew; Meundaeng, Natthaya; Konno, Takumi","Hydrogen-bonded metallosupramolecular helices composed of a nona-protonated spherical RhIII4ZnII4 cluster with twelve carboxylate arms","CrystEngComm","2020","","","","","10.1039/D0CE00133C","","","0.4248","synchrotron","","0.0669","0.0428","","","0.0952","0.1012","","","","","","0.854","","","","has coordinates,has disorder","248303","2020-10-21","18:00:00",""
"7239964","19.365","0.003","19.365","0.003","52.561","0.004","90","","90","","90","","19711","5","100","2","100","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C36 H72 N12 O56.5 Rh4 S15 Zn4 -","- C36 H72 N12 O56.5 Rh4 S15 Zn4 -","- C288 H576 N96 O452 Rh32 S120 Zn32 -","8","1","","Yamashita, Ukyo; Yoshinari, Nobuto; Sodkhomkhum, Rapheepraew; Meundaeng, Natthaya; Konno, Takumi","Hydrogen-bonded metallosupramolecular helices composed of a nona-protonated spherical RhIII4ZnII4 cluster with twelve carboxylate arms","CrystEngComm","2020","","","","","10.1039/D0CE00133C","","","0.4248","synchrotron","","0.0396","0.0386","","","0.1091","0.1099","","","","","","1.075","","","","has coordinates,has disorder","248303","2020-10-21","18:00:00",""
"7239965","19.5781","0.0011","9.864","0.0006","5.5937","0.0003","90","","90","","90","","1080.25","0.11","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","rac-mephenoxalone","rac-5-(2-methoxyphenoxymethyl)-2-oxazolidinones","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Gubaidullin, Aidar Timergalievich","Chirality-Dependent Supramolecular Synthons based on the 1,3-Oxazolidin-2-one Framework: Chiral Drugs Mephenoxalone, Metaxalone and other 114 examples","CrystEngComm","2020","","","","","10.1039/D0CE00116C","","","1.54178","CuKα","","0.0243","0.0238","","","0.0643","0.0648","","","","","","1.044","","","","has coordinates","248304","2020-10-21","18:00:00",""
"7239966","9.7048","0.0007","5.5085","0.0004","10.4326","0.0007","90","","108.56","0.004","90","","528.71","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-mephenoxalone","(R)-5-(2-methoxyphenoxymethyl)-2-oxazolidinones","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C22 H26 N2 O8 -","2","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Gubaidullin, Aidar Timergalievich","Chirality-Dependent Supramolecular Synthons based on the 1,3-Oxazolidin-2-one Framework: Chiral Drugs Mephenoxalone, Metaxalone and other 114 examples","CrystEngComm","2020","","","","","10.1039/D0CE00116C","","","0.71073","MoKα","","0.065","0.041","","","0.0756","0.0811","","","","","","1.018","","","","has coordinates","248304","2020-10-21","18:00:00",""
"7239967","10.5747","0.0008","17.7318","0.0016","23.316","0.002","90","","94.187","0.003","90","","4360.3","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H50 N5 Na Ni2 O9 S -","- C43 H50 N5 Na Ni2 O9 S -","- C172 H200 N20 Na4 Ni8 O36 S4 -","4","1","","Bhaumik, Prasanta Kumar; Banerjee, Abhisek; Dutta, Tamal; Chatterjee, Sudipta; Frontera, Antonio; Chattopadhyay, Shouvik","Diminishing accessibility of electrophilic nickel(II) centres on incorporating methyl spacer in the pendant side arm of a series of hetero-trinuclear nickel(II)/sodium complexes: DFT study using homodesmotic equation","CrystEngComm","2020","","","","","10.1039/D0CE00251H","","","0.71073","MoKα","","0.131","0.0848","","","0.208","0.2429","","","","","","1.03","","","","has coordinates","248391","2020-10-21","18:00:00",""
"7239968","15.2672","0.0017","17.8828","0.0019","19.158","0.002","90","","106.963","0.003","90","","5003","0.9","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H60 N5 Na Ni2 O9 S -","- C48 H60 N5 Na Ni2 O9 S -","- C192 H240 N20 Na4 Ni8 O36 S4 -","4","1","","Bhaumik, Prasanta Kumar; Banerjee, Abhisek; Dutta, Tamal; Chatterjee, Sudipta; Frontera, Antonio; Chattopadhyay, Shouvik","Diminishing accessibility of electrophilic nickel(II) centres on incorporating methyl spacer in the pendant side arm of a series of hetero-trinuclear nickel(II)/sodium complexes: DFT study using homodesmotic equation","CrystEngComm","2020","","","","","10.1039/D0CE00251H","","","0.71073","MoKα","","0.1388","0.068","","","0.1713","0.2284","","","","","","1.043","","","","has coordinates,has disorder","248391","2020-10-21","18:00:00",""
"7239969","20.524","0.003","10.4135","0.0011","22.375","0.003","90","","117.254","0.003","90","","4251.2","1","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H49 N6 Na Ni2 O7 -","- C42 H48 N7 Na Ni2 O8 -","- C168 H192 N28 Na4 Ni8 O32 -","4","1","","Bhaumik, Prasanta Kumar; Banerjee, Abhisek; Dutta, Tamal; Chatterjee, Sudipta; Frontera, Antonio; Chattopadhyay, Shouvik","Diminishing accessibility of electrophilic nickel(II) centres on incorporating methyl spacer in the pendant side arm of a series of hetero-trinuclear nickel(II)/sodium complexes: DFT study using homodesmotic equation","CrystEngComm","2020","","","","","10.1039/D0CE00251H","","","0.71073","MoKα","","0.1203","0.0696","","","0.182","0.2206","","","","","","0.946","","","","has coordinates","248391","2020-10-21","18:00:00",""
"7239970","37.44","0.03","9.494","0.008","34.86","0.03","90","","114.199","0.019","90","","11302","16","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H56 Cl N4 Na Ni2 O12 -","- C46 H56 Cl N4 Na Ni2 O12 -","- C368 H448 Cl8 N32 Na8 Ni16 O96 -","8","1","","Bhaumik, Prasanta Kumar; Banerjee, Abhisek; Dutta, Tamal; Chatterjee, Sudipta; Frontera, Antonio; Chattopadhyay, Shouvik","Diminishing accessibility of electrophilic nickel(II) centres on incorporating methyl spacer in the pendant side arm of a series of hetero-trinuclear nickel(II)/sodium complexes: DFT study using homodesmotic equation","CrystEngComm","2020","","","","","10.1039/D0CE00251H","","","0.71073","MoKα","","0.1077","0.0745","","","0.2011","0.2254","","","","","","1.086","","","","has coordinates","248391","2020-10-21","18:00:00",""
"7239971","7.7569","0.0006","15.7881","0.0012","10.9425","0.0011","90","","91.562","0.008","90","","1339.6","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Co N16 O2 -","- C24 H22 Co N16 O2 -","- C48 H44 Co2 N32 O4 -","2","0.5","","Wu, Yuewei; Xi, Jing; Yang, Jinhui; Song, Weiming; Luo, Shuchang; Wang, Zheng; Liu, Xiangyu","Coligand effects on the architectures and magnetic properties of octahedral cobalt(ii) complexes with easy-axis magnetic anisotropy","CrystEngComm","2020","22","13","2297","2303","10.1039/C9CE01871A","","x-ray","0.71073","MoKα","","0.1142","0.0687","","","0.1284","0.1558","","","","","","1.06","","","","has coordinates","257477","2020-10-21","18:00:00",""
"7239972","13.1218","0.0007","14.2515","0.0007","14.6292","0.0008","90","","102.327","0.005","90","","2672.7","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Co N18 O -","- C24 H22 Co N18 O -","- C96 H88 Co4 N72 O4 -","4","1","","Wu, Yuewei; Xi, Jing; Yang, Jinhui; Song, Weiming; Luo, Shuchang; Wang, Zheng; Liu, Xiangyu","Coligand effects on the architectures and magnetic properties of octahedral cobalt(ii) complexes with easy-axis magnetic anisotropy","CrystEngComm","2020","22","13","2297","2303","10.1039/C9CE01871A","","x-ray","0.71073","MoKα","","0.0927","0.0595","","","0.1223","0.1386","","","","","","1.06","","","","has coordinates","257477","2020-10-21","18:00:00",""
"7239973","11.3479","0.0005","10.0774","0.0005","11.9461","0.0006","90","","98.694","0.004","90","","1350.43","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","","Yue, Jing; Ma, Xi-Tao; Liu, Xiong-Li; Wang, Jun-Xin; Liu, Xiong-Wei; Zhou, Ying","Ammonium hydroxide as the ultimate amino source for the synthesis of N-unprotected 3-tetrasubstituted aminooxindoles via catalyst-free direct amination","Green Chemistry","2020","22","6","1837","1841","10.1039/D0GC00130A","","x-ray","0.71073","MoKα","","0.0561","0.0457","","","0.1136","0.122","","","","","","1.07","","","","has coordinates","257597","2020-10-21","18:00:00",""
"7239974","12.8233","0.0013","10.2114","0.0007","12.0326","0.0013","90","","116.906","0.013","90","","1405","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cl N2 O -","- C16 H15 Cl N2 O -","- C64 H60 Cl4 N8 O4 -","4","1","","Yue, Jing; Ma, Xi-Tao; Liu, Xiong-Li; Wang, Jun-Xin; Liu, Xiong-Wei; Zhou, Ying","Ammonium hydroxide as the ultimate amino source for the synthesis of N-unprotected 3-tetrasubstituted aminooxindoles via catalyst-free direct amination","Green Chemistry","2020","22","6","1837","1841","10.1039/D0GC00130A","","x-ray","0.71073","MoKα","","0.0562","0.0437","","","0.0944","0.1027","","","","","","1.022","","","","has coordinates","257597","2020-10-21","18:00:00",""
"7239975","36.239","0.006","7.157","0.0012","11.2151","0.0019","90","","104.478","0.003","90","","2816.4","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 N3 O -","- C15 H19 N3 O -","- C120 H152 N24 O8 -","8","1","","Barry, Kristy-Lyn; Grimmer, Craig D.; Munro, Orde Q.; Akerman, Matthew P.","Self-assembled supramolecular structures of O,N,N′ tridentate imidazole‒phenol Schiff base compounds","RSC Advances","2020","10","13","7867","7878","10.1039/C9RA10488G","","","0.71073","MoKα","","0.0616","0.0529","","","0.1344","0.1395","","","","","","1.113","","","","has coordinates","258087","2020-10-21","18:00:00",""
"7239976","12.849","0.005","10.609","0.004","16.349","0.005","90","","96.668","0.005","90","","2213.5","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N3 O -","- C12 H13 N3 O -","- C96 H104 N24 O8 -","8","2","","Barry, Kristy-Lyn; Grimmer, Craig D.; Munro, Orde Q.; Akerman, Matthew P.","Self-assembled supramolecular structures of O,N,N′ tridentate imidazole‒phenol Schiff base compounds","RSC Advances","2020","10","13","7867","7878","10.1039/C9RA10488G","","","0.71073","MoKα","","0.0639","0.0466","","","0.1297","0.1435","","","","","","1.032","","","","has coordinates","258087","2020-10-21","18:00:00",""
"7239977","11.5123","0.0013","9.0527","0.0008","19.5365","0.0018","90","","96.232","0.004","90","","2024","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C88 H88 N24 O8 -","8","2","","Barry, Kristy-Lyn; Grimmer, Craig D.; Munro, Orde Q.; Akerman, Matthew P.","Self-assembled supramolecular structures of O,N,N′ tridentate imidazole‒phenol Schiff base compounds","RSC Advances","2020","10","13","7867","7878","10.1039/C9RA10488G","","","0.71073","MoKα","","0.0481","0.041","","","0.1014","0.1062","","","","","","1.032","","","","has coordinates","258087","2020-10-21","18:00:00",""
"7239978","22.5522","0.0016","7.1022","0.0005","13.462","0.0009","90","","110.4","0.003","90","","2021","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H12 N3 O1.5 -","- C11 H12 N3 O1.5 -","- C88 H96 N24 O12 -","8","1","","Barry, Kristy-Lyn; Grimmer, Craig D.; Munro, Orde Q.; Akerman, Matthew P.","Self-assembled supramolecular structures of O,N,N′ tridentate imidazole–phenol Schiff base compounds","RSC Advances","2020","10","13","7867","7878","10.1039/C9RA10488G","","","0.71073","MoKα","","0.0471","0.0423","","","0.1113","0.1161","","","","","","1.056","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7239979","12.7067","0.0006","13.0794","0.0004","21.0583","0.0008","88.535","0.003","73.381","0.004","61.238","0.004","2913.6","0.2","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H112 N6 O44 S12 Zn3 -","- C108 H112 N6 O44 S12 Zn3 -","- C108 H112 N6 O44 S12 Zn3 -","1","0.5","","Ke, Hua; Chen, Qi-Hua; Liao, Jian-Zhen; Lu, Can-Zhong","Multiple hydrogen bonded three-dimensional supramolecular architecture composed of unique three-fold interlocked anionic Zn(II)-coordination architecture","CrystEngComm","2020","","","","","10.1039/D0CE00177E","","x-ray","1.54184","CuKα","","0.0698","0.0591","","","0.1606","0.1706","","","","","","1.107","","","","has coordinates,has disorder","248476","2020-10-21","18:00:00",""
"7239980","17.051","0.015","5.459","0.004","18.215","0.016","90","","101.114","0.009","90","","1664","2","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Co N2 O14 S2 -","- C32 H28 Co N2 O14 S2 -","- C64 H56 Co2 N4 O28 S4 -","2","0.5","","Ke, Hua; Chen, Qi-Hua; Liao, Jian-Zhen; Lu, Can-Zhong","Multiple hydrogen bonded three-dimensional supramolecular architecture composed of unique three-fold interlocked anionic Zn(II)-coordination architecture","CrystEngComm","2020","","","","","10.1039/D0CE00177E","","","0.71073","MoKα","","0.072","0.051","","","0.1159","0.1262","","","","","","1.063","","","","has coordinates","248476","2020-10-21","18:00:00",""
"7239981","13.1613","0.0002","8.5565","0.00014","27.639","0.0005","90","","94.8776","0.0014","90","","3101.28","0.09","100.01","0.11","100.01","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 N4 O12 Zn -","- C34 H26 N4 O12 Zn -","- C136 H104 N16 O48 Zn4 -","4","1","","Ke, Hua; Chen, Qi-Hua; Liao, Jian-Zhen; Lu, Can-Zhong","Multiple hydrogen bonded three-dimensional supramolecular architecture composed of unique three-fold interlocked anionic Zn(II)-coordination architecture","CrystEngComm","2020","","","","","10.1039/D0CE00177E","","x-ray","1.54184","CuKα","","0.0378","0.0316","","","0.0869","0.0901","","","","","","1.032","","","","has coordinates","248476","2020-10-21","18:00:00",""
"7239982","13.5349","0.0008","8.6599","0.0006","26.4575","0.0017","90","","95.607","0.006","90","","3086.3","0.3","100.01","0.13","100.01","0.13","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C32 H24 Cd N2 O12 S2 -","- C32 H24 Cd N2 O12 S2 -","- C128 H96 Cd4 N8 O48 S8 -","4","0.5","","Ke, Hua; Chen, Qi-Hua; Liao, Jian-Zhen; Lu, Can-Zhong","Multiple hydrogen bonded three-dimensional supramolecular architecture composed of unique three-fold interlocked anionic Zn(II)-coordination architecture","CrystEngComm","2020","","","","","10.1039/D0CE00177E","","x-ray","1.54184","CuKα","","0.0342","0.0327","","","0.0876","0.0888","","","","","","1.075","","","","has coordinates","248476","2020-10-21","18:00:00",""
"7239983","11.7246","0.0003","8.3285","0.0002","16.9656","0.0005","90","","90","","90","","1656.66","0.08","106","7","106","7","","","","","","","","4","P b c a","-P 2ac 2ab","61","","TR67.0U","","- C8 H11 N O3 -","- C8 H11 N O3 -","- C64 H88 N8 O24 -","8","1","","Pham, Thuy Trang; Chen, Xi; Söhnel, Tilo; Yan, Ning; Sperry, Jonathan","Haber-independent, diversity-oriented synthesis of nitrogen compounds from biorenewable chitin","Green Chemistry","2020","22","6","1978","1984","10.1039/D0GC00208A","","x-ray","1.54184","CuKα","","0.0425","0.0375","","","0.0945","0.0977","","","","","","1.085","","","","has coordinates","257596","2020-10-21","18:00:00",""
"7239984","7.1931","0.0003","7.0581","0.0004","8.4454","0.0004","90","","92.515","0.004","90","","428.36","0.04","107","4","107","4","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C20 H22 N2 O4 -","2","0.5","","Pham, Thuy Trang; Chen, Xi; Söhnel, Tilo; Yan, Ning; Sperry, Jonathan","Haber-independent, diversity-oriented synthesis of nitrogen compounds from biorenewable chitin","Green Chemistry","2020","22","6","1978","1984","10.1039/D0GC00208A","","x-ray","1.54184","CuKα","","0.0387","0.0348","","","0.0907","0.0936","","","","","","1.057","","","","has coordinates","257596","2020-10-21","18:00:00",""
"7239985","7.1964","0.0001","11.9878","0.0003","14.751","0.0003","90","","90","","90","","1272.55","0.04","107","5","107","5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","TR205","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","1","","Pham, Thuy Trang; Chen, Xi; Söhnel, Tilo; Yan, Ning; Sperry, Jonathan","Haber-independent, diversity-oriented synthesis of nitrogen compounds from biorenewable chitin","Green Chemistry","2020","22","6","1978","1984","10.1039/D0GC00208A","","x-ray","1.54184","CuKα","","0.029","0.0277","","","0.0719","0.0728","","","","","","1.047","","","","has coordinates","257596","2020-10-21","18:00:00",""
"7239986","24.7484","0.0003","10.706","0.0001","26.2577","0.0003","90","","115.723","0.001","90","","6267.71","0.13","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H84 N4 O24 -","- C60 H84 N4 O24 -","- C240 H336 N16 O96 -","4","1","","Pham, Thuy Trang; Chen, Xi; Söhnel, Tilo; Yan, Ning; Sperry, Jonathan","Haber-independent, diversity-oriented synthesis of nitrogen compounds from biorenewable chitin","Green Chemistry","2020","22","6","1978","1984","10.1039/D0GC00208A","","x-ray","1.54184","CuKα","","0.0489","0.0428","","","0.112","0.1162","","","","","","1.027","","","","has coordinates,has disorder","257596","2020-10-21","18:00:00",""
"7239987","12.4692","0.001","3.76053","0.00017","9.62324","0.00071","90","","89.87","0.015","90","","451.24","0.05","523","","523","","","","","","","","","5","P 1 2/m 1","-P 2y","10","catena-dibromo-(4-cyanopyridine)cobalt","catena-dibromo-(4-cyanopyridine)cobalt","","- C6 H4 Br2 Co N2 -","- C6 H4 Br2 Co N2 -","- C12 H8 Br4 Co2 N4 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine complexes [MX2(4-CNpy)x]n (with X = Cl, Br and x = 1, 2): crystal structures, thermal properties and a comparison with [MX2(3-CNpy)x]n complexes","CrystEngComm","2020","","","","","10.1039/C9CE02012H","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.24881","1.413","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7239988","9.2673","0.0004","22.6873","0.0009","13.9052","0.0006","90","","97.311","0.001","90","","2899.8","0.2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 Co N3 O4 -","- C29 H19 Co N3 O4 -","- C116 H76 Co4 N12 O16 -","4","1","","Qin, Ling; Hu, Qing; Zheng, Qi-Ming; Dou, Yue; Yang, Hu; Zheng, Hegen","Syntheses, crystal structures, dye degradation and luminescence sensing properties of four coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00175A","","","0.71073","MoKα","","0.0541","0.0395","","","0.0964","0.1024","","","","","","1.032","","","","has coordinates","248520","2020-10-21","18:00:00",""
"7239989","7.1483","0.0005","9.8254","0.0006","13.6568","0.0007","78.512","0.005","83.808","0.005","72.957","0.006","897.44","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Cd N3 O6 -","- C19 H16 Cd N3 O6 -","- C38 H32 Cd2 N6 O12 -","2","1","","Qin, Ling; Hu, Qing; Zheng, Qi-Ming; Dou, Yue; Yang, Hu; Zheng, Hegen","Syntheses, crystal structures, dye degradation and luminescence sensing properties of four coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00175A","","","0.71073","MoKα","","0.0399","0.0316","","","0.0593","0.0644","","","","","","1.047","","","","has coordinates,has disorder","248520","2020-10-21","18:00:00",""
"7239990","9.402","0.0007","10.0486","0.0007","11.9827","0.0007","91.907","0.005","101.849","0.006","108.606","0.006","1044.09","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H35 Co N9 O6 -","- C49 H35 Co N9 O6 -","- C49 H35 Co N9 O6 -","1","0.5","","Qin, Ling; Hu, Qing; Zheng, Qi-Ming; Dou, Yue; Yang, Hu; Zheng, Hegen","Syntheses, crystal structures, dye degradation and luminescence sensing properties of four coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00175A","","","0.71073","MoKα","","0.0773","0.051","","","0.0988","0.1151","","","","","","1.04","","","","has coordinates,has disorder","248520","2020-10-21","18:00:00",""
"7239991","14.6692","0.0009","15.6563","0.0008","24.8935","0.0011","90","","90.67","0.004","90","","5716.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H48 Co2 N10 O13 -","- C62 H48 Co2 N10 O13 -","- C248 H192 Co8 N40 O52 -","4","0.5","","Qin, Ling; Hu, Qing; Zheng, Qi-Ming; Dou, Yue; Yang, Hu; Zheng, Hegen","Syntheses, crystal structures, dye degradation and luminescence sensing properties of four coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00175A","","","0.71073","MoKα","","0.0768","0.0526","","","0.1494","0.1754","","","","","","0.901","","","","has coordinates","248520","2020-10-21","18:00:00",""
"7239992","9.6026","0.0005","9.6026","0.0005","23.3261","0.0012","90","","90","","120","","1862.73","0.17","100","","100","","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C6 H14 Br3 N3 -","- C6 H14 Br3 N3 -","- C36 H84 Br18 N18 -","6","1","","Morita, Hagino; Tsunashima, Ryo; Nishihara, Sadafumi; Akutagawa, Tomoyuki","Doping of Metal-free Molecular Perovskite with Hexamethylenetetramine to Create Non-centrosymmetric Defects","CrystEngComm","2020","","","","","10.1039/D0CE00173B","","","0.71073","MoKα","","0.0617","0.0489","","","0.1164","0.1266","","","","","","1.161","","","","has coordinates,has disorder","248521","2020-10-21","18:00:00",""
"7239993","12.654","0.003","13.533","0.003","18.382","0.004","83.29","0.03","87.52","0.03","71.4","0.03","2962.9","1.3","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H32 Cu F30 N5 O13 Tb -","- C44 H32 Cu F30 N5 O13 Tb -","- C88 H64 Cu2 F60 N10 O26 Tb2 -","2","1","","Yang, Meng; Liang, Xiaohong; Zhang, Yandie; Ouyang, Zhijian; Dong, Wen","A nitronyl nitroxide and its two 1D chain Cu‒Tb complexes: synthesis, structures, and magnetic properties","RSC Advances","2020","10","14","8490","8496","10.1039/D0RA00018C","","","0.71073","MoKα","","0.0595","0.0508","","","0.136","0.146","","","","","","1.002","","","","has coordinates","258089","2020-10-21","18:00:00",""
"7239994","9.2257","0.0018","16.713","0.003","21.02","0.004","90","","90","","90","","3241.1","1.1","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H20 N5 O3 -","- C16 H20 N5 O3 -","- C128 H160 N40 O24 -","8","1","","Yang, Meng; Liang, Xiaohong; Zhang, Yandie; Ouyang, Zhijian; Dong, Wen","A nitronyl nitroxide and its two 1D chain Cu‒Tb complexes: synthesis, structures, and magnetic properties","RSC Advances","2020","10","14","8490","8496","10.1039/D0RA00018C","","","0.71073","MoKα","","0.1059","0.0696","","","0.1616","0.1875","","","","","","1.01","","","","has coordinates","258089","2020-10-21","18:00:00",""
"7239995","18.785","0.003","17.138","0.003","52.309","0.01","90","","96.852","0.004","90","","16720","5","113","2","113.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C123 H72 Cu3 F90 N15 O39 Tb3 -","- C123 H72 Cu3 F90 N15 O39 Tb3 -","- C492 H288 Cu12 F360 N60 O156 Tb12 -","4","1","","Yang, Meng; Liang, Xiaohong; Zhang, Yandie; Ouyang, Zhijian; Dong, Wen","A nitronyl nitroxide and its two 1D chain Cu‒Tb complexes: synthesis, structures, and magnetic properties","RSC Advances","2020","10","14","8490","8496","10.1039/D0RA00018C","","","1.54178","CuKα","","0.1084","0.0686","","","0.1577","0.1857","","","","","","1.053","","","","has coordinates","258089","2020-10-21","18:00:00",""
"7239996","39.5261","0.0003","39.5261","0.0003","16.5278","0.0001","90","","90","","120","","22362.2","0.3","200","2","200","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C44 H22 O16.3 U0.27 Zr3 -","- C44 H22 O16.3 U0.268 Zr3 -","- C264 H132 O97.8 U1.608 Zr18 -","6","0.25","","Knapp, Julia G.; Zhang, Xuan; Elkin, Tatyana; Wolfsberg, Laura E.; Hanna, Sylvia L.; Son, Florencia A.; Scott, Brian L.; Farha, Omar K.","Single crystal structure and photocatalytic behavior of grafted uranyl on the Zr-node of a pyrene-based metal‒organic framework","CrystEngComm","2020","","","","","10.1039/C9CE02034A","","x-ray","1.54184","CuKα","","0.0591","0.0542","","","0.1863","0.1916","","","","","","1.098","","","","has coordinates,has disorder","248552","2020-10-21","18:00:00",""
"7239997","11.244","0.003","12.415","0.003","32.461","0.009","90","","92.071","0.005","90","","4528","2","173","2","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C96 H108 Ni6 S12 -","- C96 H108 Ni6 S12 -","- C192 H216 Ni12 S24 -","2","0.5","","Pembere, Anthony M. S.; Cui, Chaonan; Anumula, Rajini; Wu, Haiming; An, Pan; Liang, Tongling; Luo, Zhixun","Correction: A hexagonal Ni<sub>6</sub> cluster protected by 2-phenylethanethiol for catalytic conversion of toluene to benzaldehyde.","Physical chemistry chemical physics : PCCP","2020","22","10","6010","6010","10.1039/d0cp90052d","","","0.71073","MoKα","","0.0572","0.0498","","","0.0836","0.0872","","","","","","1.126","","","","has coordinates","257929","2020-10-21","18:00:00",""
"7239998","29.8653","0.0017","10.2827","0.0004","10.8622","0.0007","90","","90","","90","","3335.7","0.3","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C11 H15 B O2 -","- C11 H15 B O2 -","- C132 H180 B12 O24 -","12","1.5","","Joshi, Prerna; Vedarajan, Raman; Sheelam, Anjaiah; Ramanujam, Kothandaraman; Malaman, Bernard; Matsumi, Noriyoshi","An all solid-state Li ion battery composed of low molecular weight crystalline electrolyte","RSC Advances","2020","10","15","8780","8789","10.1039/C9RA09559D","","","0.71073","MoKα","","0.0911","0.0545","","","0.1385","0.1644","","","","","","1.014","","","","has coordinates,has disorder","258105","2020-10-21","18:00:00",""
"7239999","13.0671","0.0004","15.9871","0.0005","7.5731","0.0002","90","","96.415","0.003","90","","1572.15","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N3 O6 Re -","- C14 H8 N3 O6 Re -","- C56 H32 N12 O24 Re4 -","4","1","","Klenner, Mitchell A.; Zhang, Bo; Ciancaleoni, Gianluca; Howard, James K.; Maynard-Casely, Helen E.; Clegg, Jack K.; Massi, Massimiliano; Fraser, Benjamin H.; Pascali, Giancarlo","Rhenium(i) complexation‒dissociation strategy for synthesising fluorine-18 labelled pyridine bidentate radiotracers","RSC Advances","2020","10","15","8853","8865","10.1039/D0RA00318B","","x-ray","0.71073","MoKα","","0.0444","0.039","","","0.094","0.0969","","","","","","1.01","","","","has coordinates","258106","2020-10-21","18:00:00",""
"7240000","8.193","0.0016","8.687","0.0017","10.559","0.002","95.04","0.03","93.13","0.03","97.76","0.03","740.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H7 Cl2 N2 O3 Re -","- C15 H7 Cl2 N2 O3 Re -","- C30 H14 Cl4 N4 O6 Re2 -","2","1","","Klenner, Mitchell A.; Zhang, Bo; Ciancaleoni, Gianluca; Howard, James K.; Maynard-Casely, Helen E.; Clegg, Jack K.; Massi, Massimiliano; Fraser, Benjamin H.; Pascali, Giancarlo","Rhenium(i) complexation‒dissociation strategy for synthesising fluorine-18 labelled pyridine bidentate radiotracers","RSC Advances","2020","10","15","8853","8865","10.1039/D0RA00318B","","","0.7108","Synchrotron","","0.0347","0.0331","","","0.0849","0.0858","","","","","","1.08","","","","has coordinates","258106","2020-10-21","18:00:00",""
"7240001","7.96","0.0016","17.171","0.003","10.245","0.002","90","","99.25","0.03","90","","1382.1","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 Cl F N2 O3 Re -","- C13 H7 Cl F N2 O3 Re -","- C52 H28 Cl4 F4 N8 O12 Re4 -","4","1","","Klenner, Mitchell A.; Zhang, Bo; Ciancaleoni, Gianluca; Howard, James K.; Maynard-Casely, Helen E.; Clegg, Jack K.; Massi, Massimiliano; Fraser, Benjamin H.; Pascali, Giancarlo","Rhenium(i) complexation‒dissociation strategy for synthesising fluorine-18 labelled pyridine bidentate radiotracers","RSC Advances","2020","10","15","8853","8865","10.1039/D0RA00318B","","","0.7108","Synchrotron","","0.0237","0.0226","","","0.0603","0.0683","","","","","","1.202","","","","has coordinates,has disorder","258106","2020-10-21","18:00:00",""
"7240002","11.318","0.002","12.872","0.003","15.669","0.003","102.17","0.03","99.94","0.03","102.5","0.03","2120.8","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H7 Cl2 N2 O3 Re -","- C13 H7 Cl2 N2 O3 Re -","- C78 H42 Cl12 N12 O18 Re6 -","6","3","","Klenner, Mitchell A.; Zhang, Bo; Ciancaleoni, Gianluca; Howard, James K.; Maynard-Casely, Helen E.; Clegg, Jack K.; Massi, Massimiliano; Fraser, Benjamin H.; Pascali, Giancarlo","Rhenium(i) complexation‒dissociation strategy for synthesising fluorine-18 labelled pyridine bidentate radiotracers","RSC Advances","2020","10","15","8853","8865","10.1039/D0RA00318B","","","0.7108","Synchrotron","","0.0389","0.0382","","","0.0959","0.0975","","","","","","1.114","","","","has coordinates","258106","2020-10-21","18:00:00",""
"7240003","14.655","0.003","10.996","0.002","9.092","0.0018","90","","107.76","0.03","90","","1395.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Cl2 N2 O3 Re -","- C13 H7 Cl2 N2 O3 Re -","- C52 H28 Cl8 N8 O12 Re4 -","4","1","","Klenner, Mitchell A.; Zhang, Bo; Ciancaleoni, Gianluca; Howard, James K.; Maynard-Casely, Helen E.; Clegg, Jack K.; Massi, Massimiliano; Fraser, Benjamin H.; Pascali, Giancarlo","Rhenium(i) complexation‒dissociation strategy for synthesising fluorine-18 labelled pyridine bidentate radiotracers","RSC Advances","2020","10","15","8853","8865","10.1039/D0RA00318B","","","0.7108","Synchrotron","","0.059","0.0554","","","0.139","0.1411","","","","","","1.092","","","","has coordinates","258106","2020-10-21","18:00:00",""
"7240004","4.8425","0.0007","24.45","0.004","5.7818","0.0009","90","","99.096","0.005","90","","675.95","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 F N O2 -","- C8 H4 F N O2 -","- C32 H16 F4 N4 O8 -","4","1","","Mondal, Pradip Kumar; Bhandary, Subhrajyoti; Javoor, Manjunath G.; Cleetus, Annie; Mangalampalli, S. R. N. Kiran; Ramamurty, Upadrasta; Chopra, Deepak","Probing the distinct nanomechanical behaviour of a new co-crystal and a known solvate of 5-fluoroisatin and identification of a new polymorph","CrystEngComm","2020","22","15","2566","2572","10.1039/C9CE01659G","","","0.71073","MoKα","","0.1125","0.0675","","","0.121","0.1328","","","","","","1.125","","","","has coordinates,has disorder","257482","2020-10-21","18:00:00",""
"7240005","8.2627","0.0006","8.335","0.0006","8.7473","0.0006","91.177","0.002","117.067","0.002","97.41","0.003","529.82","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 F N O3 S -","- C10 H10 F N O3 S -","- C20 H20 F2 N2 O6 S2 -","2","1","","Mondal, Pradip Kumar; Bhandary, Subhrajyoti; Javoor, Manjunath G.; Cleetus, Annie; Mangalampalli, S. R. N. Kiran; Ramamurty, Upadrasta; Chopra, Deepak","Probing the distinct nanomechanical behaviour of a new co-crystal and a known solvate of 5-fluoroisatin and identification of a new polymorph","CrystEngComm","2020","22","15","2566","2572","10.1039/C9CE01659G","","","0.71073","MoKα","","0.0386","0.0342","","","0.085","0.0874","","","","","","1.084","","","","has coordinates","257482","2020-10-21","18:00:00",""
"7240006","12.8358","0.0007","6.172","0.0003","15.5627","0.0008","90","","96.692","0.002","90","","1224.52","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 F N2 O4 -","- C14 H9 F N2 O4 -","- C56 H36 F4 N8 O16 -","4","1","","Mondal, Pradip Kumar; Bhandary, Subhrajyoti; Javoor, Manjunath G.; Cleetus, Annie; Mangalampalli, S. R. N. Kiran; Ramamurty, Upadrasta; Chopra, Deepak","Probing the distinct nanomechanical behaviour of a new co-crystal and a known solvate of 5-fluoroisatin and identification of a new polymorph","CrystEngComm","2020","22","15","2566","2572","10.1039/C9CE01659G","","","0.71073","MoKα","","0.0674","0.047","","","0.1074","0.1166","","","","","","1.065","","","","has coordinates","257482","2020-10-21","18:00:00",""
"7240007","3.7104","0.0004","12.1407","0.0015","14.766","0.0015","90","","93.397","0.004","90","","663.99","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 F N O2 -","- C8 H4 F N O2 -","- C32 H16 F4 N4 O8 -","4","1","","Mondal, Pradip Kumar; Bhandary, Subhrajyoti; Javoor, Manjunath G.; Cleetus, Annie; Mangalampalli, S. R. N. Kiran; Ramamurty, Upadrasta; Chopra, Deepak","Probing the distinct nanomechanical behaviour of a new co-crystal and a known solvate of 5-fluoroisatin and identification of a new polymorph","CrystEngComm","2020","22","15","2566","2572","10.1039/C9CE01659G","","","0.71073","MoKα","","0.106","0.0599","","","0.1089","0.1236","","","","","","1.058","","","","has coordinates","257482","2020-10-21","18:00:00",""
"7240008","17.1497","0.0014","7.3395","0.0006","15.4954","0.0012","90","","109.941","0.002","90","","1833.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl2 N6 O2 -","- C17 H16 Cl2 N6 O2 -","- C68 H64 Cl8 N24 O8 -","4","1","","Kuang, Wenjie; Ji, Shaochang; Wei , Yufeng; Zhang, Jinyan; Lan, Ping","A New 1:1 Cocrystal of Lamotrigine and 1,2,3,6-4hydrophthalimide:Discovery,Characterization, and Construction of Ternary Phase Diagrams","CrystEngComm","2020","","","","","10.1039/D0CE00178C","","","0.71073","MoKα","","0.0833","0.0493","","","0.1202","0.1373","","","","","","1.037","","","","has coordinates","248635","2020-10-21","18:00:00",""
"7240009","9.3043","0.0002","15.9441","0.0003","17.4454","0.0004","90","","94.552","0.002","90","","2579.84","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cd Cl2 N4 O4 -","- C26 H20 Cd Cl2 N4 O4 -","- C104 H80 Cd4 Cl8 N16 O16 -","4","1","","Yong-Sheng, Shi; Liu, Dong; Fu, Lianshe; Li, Yuehua; Dong, Gui-Ying","Five water-stable luminescent CdII-based metal-organic frameworks as sensors for highly sensitive and selective detection of acetylacetone, Fe3+ and Cr2O72- ions","CrystEngComm","2020","","","","","10.1039/D0CE00140F","","","0.71073","MoKα","","0.0457","0.03","","","0.069","0.0761","","","","","","1.023","","","","has coordinates","248636","2020-10-21","18:00:00",""
"7240010","13.1061","0.0005","16.0142","0.0005","17.5495","0.0007","90","","97.736","0.004","90","","3649.8","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 Cd0.5 Cl N3 O2 -","- C20 H17 Cd0.5 Cl N3 O2 -","- C160 H136 Cd4 Cl8 N24 O16 -","8","1","","Yong-Sheng, Shi; Liu, Dong; Fu, Lianshe; Li, Yuehua; Dong, Gui-Ying","Five water-stable luminescent CdII-based metal-organic frameworks as sensors for highly sensitive and selective detection of acetylacetone, Fe3+ and Cr2O72- ions","CrystEngComm","2020","","","","","10.1039/D0CE00140F","","","0.71073","MoKα","","0.056","0.0458","","","0.1295","0.1374","","","","","","1.048","","","","has coordinates","248636","2020-10-21","18:00:00",""
"7240011","14.9929","0.0003","21.3309","0.0004","16.5227","0.0002","90","","98.64","0.002","90","","5224.19","0.16","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C54 H44 Cd2 Cl4 N8 O8 -","- C54 H44 Cd2 Cl4 N8 O8 -","- C216 H176 Cd8 Cl16 N32 O32 -","4","1","","Yong-Sheng, Shi; Liu, Dong; Fu, Lianshe; Li, Yuehua; Dong, Gui-Ying","Five water-stable luminescent CdII-based metal-organic frameworks as sensors for highly sensitive and selective detection of acetylacetone, Fe3+ and Cr2O72- ions","CrystEngComm","2020","","","","","10.1039/D0CE00140F","","","0.71073","MoKα","","0.077","0.0472","","","0.1192","0.1347","","","","","","1.031","","","","has coordinates","248636","2020-10-21","18:00:00",""
"7240012","9.6284","0.0006","10.2786","0.0004","18.7313","0.0009","91.228","0.004","101.525","0.004","90.458","0.004","1815.83","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36.7 Cd Cl2 N6 O6.85 -","- C38 H30 Cd Cl2 N6 O4 -","- C76 H60 Cd2 Cl4 N12 O8 -","2","1","","Yong-Sheng, Shi; Liu, Dong; Fu, Lianshe; Li, Yuehua; Dong, Gui-Ying","Five water-stable luminescent CdII-based metal-organic frameworks as sensors for highly sensitive and selective detection of acetylacetone, Fe3+ and Cr2O72- ions","CrystEngComm","2020","","","","","10.1039/D0CE00140F","","","0.71073","MoKα","","0.0997","0.0735","","","0.1846","0.2002","","","","","","1.036","","","","has coordinates","248636","2020-10-21","18:00:00",""
"7240013","18.4777","0.0004","9.4892","0.0002","26.8332","0.0004","90","","91.811","0.002","90","","4702.55","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H37.5 Cd2 Cl4 N6 O11.75 -","- C45 H30 Cd2 Cl4 N6 O8 -","- C180 H120 Cd8 Cl16 N24 O32 -","4","1","","Yong-Sheng, Shi; Liu, Dong; Fu, Lianshe; Li, Yuehua; Dong, Gui-Ying","Five water-stable luminescent CdII-based metal-organic frameworks as sensors for highly sensitive and selective detection of acetylacetone, Fe3+ and Cr2O72- ions","CrystEngComm","2020","","","","","10.1039/D0CE00140F","","","0.71073","MoKα","","0.0593","0.0363","","","0.0796","0.0875","","","","","","0.989","","","","has coordinates,has disorder","248636","2020-10-21","18:00:00",""
"7240014","8.8566","0.0005","9.7807","0.0006","10.05","0.0006","68.906","0.001","84.726","0.001","87.008","0.001","808.62","0.08","273","2","273.15","","","","","","","","","5","P 1","P 1","1","","","","- C34 H36 N2 Ni O14 -","- C34 H36 N2 Ni O14 -","- C34 H36 N2 Ni O14 -","1","1","","Liu, Jin-Jian; Lu, Yiwei; Lu, Wenbo","Sun, UV and X ray triple photochromic properties of three coordination polymers based on 1,1′-bis(3-carboxylatobenzyl)-4,4′-bipyridinium ligand","CrystEngComm","2020","","","","","10.1039/D0CE00206B","","","0.71073","MoKα","","0.0355","0.0321","","","0.0965","0.1087","","","","","","1.152","","","","has coordinates","248637","2020-10-21","18:00:00",""
"7240015","9.0976","0.0006","9.225","0.0006","13.298","0.0009","76.768","0.002","80.206","0.002","62.475","0.001","960.76","0.11","273","2","273.15","","","","","","","","","5","P 1","P 1","1","","","","- C36 H37 N2 O20 Zn2 -","- C36 H37 N2 O20 Zn2 -","- C36 H37 N2 O20 Zn2 -","1","1","","Liu, Jin-Jian; Lu, Yiwei; Lu, Wenbo","Sun, UV and X ray triple photochromic properties of three coordination polymers based on 1,1′-bis(3-carboxylatobenzyl)-4,4′-bipyridinium ligand","CrystEngComm","2020","","","","","10.1039/D0CE00206B","","","0.71073","MoKα","","0.0367","0.0327","","","0.098","0.105","","","","","","1.11","","","","has coordinates","248637","2020-10-21","18:00:00",""
"7240016","8.8697","0.0005","9.7658","0.0006","10.0805","0.0006","69.141","0.001","84.882","0.001","86.982","0.002","812.48","0.08","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Co0.5 N O7 -","- C17 H17 Co0.5 N O7 -","- C34 H34 Co N2 O14 -","2","1","","Liu, Jin-Jian; Lu, Yiwei; Lu, Wenbo","Sun, UV and X ray triple photochromic properties of three coordination polymers based on 1,1′-bis(3-carboxylatobenzyl)-4,4′-bipyridinium ligand","CrystEngComm","2020","","","","","10.1039/D0CE00206B","","","0.71073","MoKα","","0.0479","0.0456","","","0.128","0.1298","","","","","","1.045","","","","has coordinates","248637","2020-10-21","18:00:00",""
"7240017","9.1142","0.0005","14.0364","0.0006","7.8828","0.0004","90","","100.883","0.004","90","","990.31","0.09","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N4 Ni O2 S2 -","- C16 H22 N4 Ni O2 S2 -","- C32 H44 N8 Ni2 O4 S4 -","2","0.5","","Wellm, Carsten; Neumann, Tristan; Ceglarska, Magdalena; Gallo, Gianpiero; Rams, Michał; Dinnebier, Robert E.; Nather, Christian","New isomeric Ni(NCS)2 coordination compounds: crystal structures, magnetic properties as well as ex situ and in situ investigations on their synthesis and transition behaviour","CrystEngComm","2020","","","","","10.1039/D0CE00181C","","","0.71073","MoKα","","0.0621","0.0583","","","0.1526","0.1566","","","","","","1.055","","","","has coordinates","248722","2020-10-21","18:00:00",""
"7240018","16.8134","0.0006","14.9609","0.0003","9.801","","90","","114.894","0.002","90","","2236.32","0.1","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 Cl2 N4 Ni S2 -","- C16 H18 N4 Ni S2 -","- C64 H72 N16 Ni4 S8 -","4","0.5","","Wellm, Carsten; Neumann, Tristan; Ceglarska, Magdalena; Gallo, Gianpiero; Rams, Michał; Dinnebier, Robert E.; Nather, Christian","New isomeric Ni(NCS)2 coordination compounds: crystal structures, magnetic properties as well as ex situ and in situ investigations on their synthesis and transition behaviour","CrystEngComm","2020","","","","","10.1039/D0CE00181C","","","0.71073","MoKα","","0.0296","0.0251","","","0.0642","0.0658","","","","","","1.077","","","","has coordinates,has disorder","248722","2020-10-21","18:00:00",""
"7240019","9.3096","0.0019","10.516","0.002","11.057","0.002","68.06","0.03","66.94","0.03","69.49","0.03","897.1","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 Ni S2 -","- C16 H18 N4 Ni S2 -","- C32 H36 N8 Ni2 S4 -","2","1","","Wellm, Carsten; Neumann, Tristan; Ceglarska, Magdalena; Gallo, Gianpiero; Rams, Michał; Dinnebier, Robert E.; Nather, Christian","New isomeric Ni(NCS)2 coordination compounds: crystal structures, magnetic properties as well as ex situ and in situ investigations on their synthesis and transition behaviour","CrystEngComm","2020","","","","","10.1039/D0CE00181C","","","0.71073","MoKα","","0.032","0.0269","","","0.0727","0.0743","","","","","","1.076","","","","has coordinates,has disorder","248722","2020-10-21","18:00:00",""
"7240020","10.103","0.0006","11.215","0.0006","18.545","0.0009","106.44","0.004","94.39","0.004","111.05","0.004","1843.2","0.19","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 Ni S2 -","- C16 H18 N4 Ni S2 -","- C64 H72 N16 Ni4 S8 -","4","2","","Wellm, Carsten; Neumann, Tristan; Ceglarska, Magdalena; Gallo, Gianpiero; Rams, Michał; Dinnebier, Robert E.; Nather, Christian","New isomeric Ni(NCS)2 coordination compounds: crystal structures, magnetic properties as well as ex situ and in situ investigations on their synthesis and transition behaviour","CrystEngComm","2020","","","","","10.1039/D0CE00181C","","","0.71073","MoKα","","0.0435","0.0341","","","0.0897","0.0928","","","","","","1.077","","","","has coordinates","248722","2020-10-21","18:00:00",""
"7240021","14.1317","0.0014","5.8342","0.0006","14.5513","0.0014","90","","90","","90","","1199.7","0.2","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C4 H26 Cl4 N2 Pb -","- C4 H26 Cl4 N2 Pb -","- C16 H104 Cl16 N8 Pb4 -","4","0.25","","Sun, Chen; Yue, Yun-Di; Zhang, Wei-Feng; Sun, Xing-Yu; Du, Yan; Pan, Hong-Mei; Ma, Yue-Yu; He, Yuan-Chun; Li, Meng-Ting; Jing, Zhi-Hong","[DMEDA]PbCl4: a one-dimensional organic lead halide perovskite with efficient yellow emission","CrystEngComm","2020","22","8","1480","1486","10.1039/C9CE01816F","","","0.71073","MoKα","","0.0179","0.0172","","","0.0469","0.0472","","","","","","1.087","","","","has coordinates","257441","2020-10-21","18:00:00",""
"7240022","6.467","0.007","7.524","0.008","16.983","0.018","90","","90","","90","","826.4","1.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 N4 -","- C9 H8 N4 -","- C36 H32 N16 -","4","1","","Liang, Xiaoqiang; Cao, Tingting; Wang, Li; Zheng, Changzheng; Zhao, Yamei; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","From an organic ligand to a metal‒organic coordination polymer, and to a metal‒organic coordination polymer‒cocrystal composite: a continuous promotion of the proton conductivity of crystalline materials","CrystEngComm","2020","22","8","1414","1424","10.1039/C9CE01716J","","","0.71073","MoKα","","0.0458","0.0387","","","0.1008","0.1055","","","","","","0.953","","","","has coordinates","257442","2020-10-21","18:00:00",""
"7240023","7.607","0.006","10.131","0.007","18.949","0.013","86.816","0.011","79.942","0.011","78.363","0.011","1408","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H54 Co N16 O15 -","- C60 H54 Co N16 O15 -","- C60 H54 Co N16 O15 -","1","0.5","","Liang, Xiaoqiang; Cao, Tingting; Wang, Li; Zheng, Changzheng; Zhao, Yamei; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","From an organic ligand to a metal‒organic coordination polymer, and to a metal‒organic coordination polymer‒cocrystal composite: a continuous promotion of the proton conductivity of crystalline materials","CrystEngComm","2020","22","8","1414","1424","10.1039/C9CE01716J","","","0.71073","MoKα","","0.107","0.085","","","0.2511","0.2776","","","","","","1.058","","","","has coordinates","257442","2020-10-21","18:00:00",""
"7240024","7.337","0.012","8.408","0.014","9.584","0.016","106.7","0.02","98.23","0.03","107.36","0.02","523.3","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cu I N4 -","- C9 H8 Cu I N4 -","- C18 H16 Cu2 I2 N8 -","2","1","","Liang, Xiaoqiang; Cao, Tingting; Wang, Li; Zheng, Changzheng; Zhao, Yamei; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","From an organic ligand to a metal‒organic coordination polymer, and to a metal‒organic coordination polymer‒cocrystal composite: a continuous promotion of the proton conductivity of crystalline materials","CrystEngComm","2020","22","8","1414","1424","10.1039/C9CE01716J","","","0.71073","MoKα","","0.0666","0.0596","","","0.152","0.1588","","","","","","1.009","","","","has coordinates","257442","2020-10-21","18:00:00",""
"7240025","7.6799","0.0003","10.5256","0.0005","10.9153","0.0005","62.404","0.001","89.158","0.001","74.817","0.001","748.78","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N4 Ni O8 -","- C32 H28 N4 Ni O8 -","- C32 H28 N4 Ni O8 -","1","0.5","","Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan","Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD","CrystEngComm","2020","22","8","1330","1339","10.1039/C9CE01764J","","","0.71073","MoKα","","0.0289","0.0274","","","0.0745","0.0753","","","","","","1.099","","","","has coordinates","257443","2020-10-21","18:00:00",""
"7240026","11.428","0.002","12.41","0.003","12.769","0.003","61.507","0.002","88.882","0.004","76.364","0.004","1537.5","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 N4 Ni O11 S -","- C30 H32 N4 Ni O11 S -","- C60 H64 N8 Ni2 O22 S2 -","2","1","","Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan","Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD","CrystEngComm","2020","22","8","1330","1339","10.1039/C9CE01764J","","","0.71073","MoKα","","0.0699","0.0519","","","0.1491","0.1574","","","","","","1.009","","","","has coordinates","257443","2020-10-21","18:00:00",""
"7240027","34.36","0.007","9.0513","0.0016","19.787","0.003","90","","107.545","0.007","90","","5867.5","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H54 N8 Ni2 O17 S2 -","- C60 H54 N8 Ni2 O17 S2 -","- C240 H216 N32 Ni8 O68 S8 -","4","0.5","","Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan","Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD","CrystEngComm","2020","22","8","1330","1339","10.1039/C9CE01764J","","","0.71073","MoKα","","0.0541","0.0363","","","0.0842","0.0963","","","","","","1.029","","","","has coordinates","257443","2020-10-21","18:00:00",""
"7240028","16.5083","0.0007","9.8738","0.0004","19.9446","0.0008","90","","107.595","0.001","90","","3098.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 N4 Ni O8 -","- C34 H32 N4 Ni O8 -","- C136 H128 N16 Ni4 O32 -","4","1","","Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan","Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD","CrystEngComm","2020","22","8","1330","1339","10.1039/C9CE01764J","","","0.71073","MoKα","","0.0636","0.0419","","","0.1077","0.1206","","","","","","1.017","","","","has coordinates","257443","2020-10-21","18:00:00",""
"7240029","21.551","0.002","7.2511","0.0007","20.83","0.0018","90","","117.421","0.001","90","","2889.4","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 N4 Ni O9 -","- C32 H28 N4 Ni O9 -","- C128 H112 N16 Ni4 O36 -","4","0.5","","Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan","Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD","CrystEngComm","2020","22","8","1330","1339","10.1039/C9CE01764J","","","0.71073","MoKα","","0.0729","0.0715","","","0.1717","0.1723","","","","","","1.048","","","","has coordinates","257443","2020-10-21","18:00:00",""
"7240030","15.6642","0.0007","14.0331","0.0007","26.9234","0.0013","90","","92.866","0.001","90","","5910.8","0.5","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H17 Cu2 N4 O9 -","- C33 H17 Cu2 N4 O9 -","- C264 H136 Cu16 N32 O72 -","8","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.0748","0.0458","","","0.1116","0.1259","","","","","","1.001","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240031","7.6768","0.0006","22.9016","0.0018","15.1581","0.0012","90","","94.189","0.002","90","","2657.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H20 Co N4 O8 -","- C33 H20 Co N4 O8 -","- C132 H80 Co4 N16 O32 -","4","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.1017","0.0479","","","0.0997","0.1172","","","","","","1.008","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240032","31.9886","0.0019","14.0007","0.0007","15.8473","0.0008","90","","98.91","0.002","90","","7011.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H54 N12 Ni3 O22 -","- C72 H54 N12 Ni3 O22 -","- C288 H216 N48 Ni12 O88 -","4","0.5","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.0775","0.0463","","","0.118","0.134","","","","","","1.002","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240033","9.747","0.0005","11.5054","0.0006","12.5424","0.0007","99.091","0.001","90.462","0.001","109.098","0.001","1309.74","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 N4 O9 Zn -","- C29 H20 N4 O9 Zn -","- C58 H40 N8 O18 Zn2 -","2","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.0513","0.0357","","","0.0768","0.0828","","","","","","1.024","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240034","9.867","0.0005","13.5792","0.0006","19.1123","0.0009","90","","94.495","0.001","90","","2552.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Cu N4 O9 -","- C29 H20 Cu N4 O9 -","- C116 H80 Cu4 N16 O36 -","4","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.0441","0.0318","","","0.0819","0.0878","","","","","","1.003","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240035","9.6652","0.0006","11.526","0.0007","12.5516","0.0008","80.708","0.001","89.602","0.001","70.774","0.001","1301.35","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 Co N4 O9 -","- C29 H20 Co N4 O9 -","- C58 H40 Co2 N8 O18 -","2","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.0378","0.0312","","","0.0744","0.0777","","","","","","1.035","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240036","15.7534","0.0008","32.9347","0.0016","15.7929","0.0008","90","","111.776","0.001","90","","7609.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H50 N12 Ni3 O17 -","- C84 H50 N12 Ni3 O17 -","- C336 H200 N48 Ni12 O68 -","4","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.1339","0.0629","","","0.114","0.1338","","","","","","1.017","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240037","7.1646","0.0004","8.5039","0.0011","10.0021","0.0011","104.049","0.01","97.995","0.006","96.617","0.007","578.34","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 Li2 O10 -","- C8 H12 Li2 O10 -","- C16 H24 Li4 O20 -","2","1","","Quarez, Éric; Jouhara, Alia; Grolleau, Stéphane; Dolhem, Franck; Dupré, Nicolas; Poizot, Philippe","From partial to complete neutralization of 2,5-dihydroxyterephthalic acid in the Li‒Na system: crystal chemistry and electrochemical behavior of Na2Li2C8H2O6vs. Li","CrystEngComm","2020","22","9","1653","1663","10.1039/C9CE01674K","","","0.71073","MoKα","","0.0814","0.0481","","","0.1","0.1175","","","","","","1.079","","","","has coordinates","257481","2020-10-21","18:00:00",""
"7240038","7.3738","0.0011","7.4503","0.0014","8.1802","0.0008","76.479","0.013","66.792","0.008","84.39","0.02","401.58","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H18 Li2 Na2 O14 -","- C8 H18 Li2 Na2 O14 -","- C8 H18 Li2 Na2 O14 -","1","0.5","","Quarez, Éric; Jouhara, Alia; Grolleau, Stéphane; Dolhem, Franck; Dupré, Nicolas; Poizot, Philippe","From partial to complete neutralization of 2,5-dihydroxyterephthalic acid in the Li‒Na system: crystal chemistry and electrochemical behavior of Na2Li2C8H2O6vs. Li","CrystEngComm","2020","22","9","1653","1663","10.1039/C9CE01674K","","","0.71073","MoKα","","0.0525","0.0364","","","0.0836","0.0924","","","","","","1.137","","","","has coordinates","257481","2020-10-21","18:00:00",""
"7240039","7.272","0.0003","9.1631","0.0003","10.5276","0.0012","97.273","0.006","110.034","0.006","111.668","0.003","586.18","0.08","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 Li2 O10 -","- C8 H12 Li2 O10 -","- C16 H24 Li4 O20 -","2","1","","Quarez, Éric; Jouhara, Alia; Grolleau, Stéphane; Dolhem, Franck; Dupré, Nicolas; Poizot, Philippe","From partial to complete neutralization of 2,5-dihydroxyterephthalic acid in the Li‒Na system: crystal chemistry and electrochemical behavior of Na2Li2C8H2O6vs. Li","CrystEngComm","2020","22","9","1653","1663","10.1039/C9CE01674K","","","0.71073","MoKα","","0.0644","0.0461","","","0.114","0.1282","","","","","","1.106","","","","has coordinates","257481","2020-10-21","18:00:00",""
"7240040","7.3226","0.0011","9.2359","0.0005","18.444","0.002","100.611","0.006","90.051","0.012","101.428","0.011","1200.8","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 Na2 O10 -","- C8 H12 Na2 O10 -","- C32 H48 Na8 O40 -","4","2","","Quarez, Éric; Jouhara, Alia; Grolleau, Stéphane; Dolhem, Franck; Dupré, Nicolas; Poizot, Philippe","From partial to complete neutralization of 2,5-dihydroxyterephthalic acid in the Li‒Na system: crystal chemistry and electrochemical behavior of Na2Li2C8H2O6vs. Li","CrystEngComm","2020","22","9","1653","1663","10.1039/C9CE01674K","","","0.71073","MoKα","","0.1197","0.0555","","","0.1248","0.1593","","","","","","1.059","","","","has coordinates","257481","2020-10-21","18:00:00",""
"7240041","27.726","0.002","14.7975","0.0012","7.8558","0.0011","90","","90.294","0.011","90","","3223","0.6","293","2","293","2","","","","","","","Marine Fungus Aspergillus sp. XBB-4","4","C 1 2/c 1","-C 2yc","15","","Asperdione A","","- C14 H19 N4 O2.5 -","- C14 H19 N4 O2.5 -","- C112 H152 N32 O20 -","8","1","","Qiu, Yi; Guo, Qi; Ran, Yan-Qin; Lan, Wen-Jian; Lam, Chi-Keung; Feng, Gong-Kan; Deng, Rong; Zhu, Xiao-Feng; Li, Hou-Jin; Chen, Liu-Ping","Cytotoxic alkaloids from the marine shellfish-associated fungus Aspergillus sp. XBB-4 induced by an amino acid-directed strategy","RSC Advances","2020","10","8","4243","4250","10.1039/C9RA10306F","","","1.54178","CuKα","","0.1384","0.1196","","","0.3293","0.3607","","","","","","1.246","","","","has coordinates,has disorder","258013","2020-10-21","18:00:00",""
"7240042","4.515","0.0001","20.336","0.0005","13.1788","0.0004","90","","95.541","0.001","90","","1204.38","0.05","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H20 Co O10 -","- C28 H20 Co O10 -","- C56 H40 Co2 O20 -","2","1","","Zhang, Li-Qing; Wang, Xiu-Wen; Gu, Lei; Yu, Ying-Hui; Gao, Jin-Sheng","Three pairs of luminescent coordination polymers based on CoII and CdII clusters for the detection of antibiotics, pesticides and chiral nitro aromatic compounds","RSC Advances","2020","10","16","9476","9485","10.1039/D0RA00329H","","","0.71073","MoKα","","0.029","0.0258","","","0.0577","0.0588","","","","","","1.081","","","","has coordinates","258065","2020-10-21","18:00:00",""
"7240043","10.7678","0.0012","43.169","0.005","14.1953","0.0016","90","","102.803","0.004","90","","6434.4","1.3","303","2","303","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C124 H98 Cd6 N12 O35 -","- C124 H98 Cd6 N12 O35 -","- C248 H196 Cd12 N24 O70 -","2","1","","Zhang, Li-Qing; Wang, Xiu-Wen; Gu, Lei; Yu, Ying-Hui; Gao, Jin-Sheng","Three pairs of luminescent coordination polymers based on CoII and CdII clusters for the detection of antibiotics, pesticides and chiral nitro aromatic compounds","RSC Advances","2020","10","16","9476","9485","10.1039/D0RA00329H","","","0.71073","MoKα","","0.0637","0.0509","","","0.1284","0.1348","","","","","","1.038","","","","has coordinates","258065","2020-10-21","18:00:00",""
"7240044","10.0826","0.0009","22.83","0.002","11.2518","0.0009","90","","101.852","0.003","90","","2534.8","0.4","299","2","299","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H40 Cd2 N4 O16 -","- C50 H40 Cd2 N4 O16 -","- C100 H80 Cd4 N8 O32 -","2","1","","Zhang, Li-Qing; Wang, Xiu-Wen; Gu, Lei; Yu, Ying-Hui; Gao, Jin-Sheng","Three pairs of luminescent coordination polymers based on CoII and CdII clusters for the detection of antibiotics, pesticides and chiral nitro aromatic compounds","RSC Advances","2020","10","16","9476","9485","10.1039/D0RA00329H","","","0.71073","MoKα","","0.0943","0.0599","","","0.1451","0.1708","","","","","","1.055","","","","has coordinates","258065","2020-10-21","18:00:00",""
"7240045","4.5099","0.0001","20.3181","0.0007","13.1808","0.0005","90","","95.614","0.001","90","","1202","0.07","299","2","299","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H22 Co O10 -","- C28 H22 Co O10 -","- C56 H44 Co2 O20 -","2","1","","Zhang, Li-Qing; Wang, Xiu-Wen; Gu, Lei; Yu, Ying-Hui; Gao, Jin-Sheng","Three pairs of luminescent coordination polymers based on CoII and CdII clusters for the detection of antibiotics, pesticides and chiral nitro aromatic compounds","RSC Advances","2020","10","16","9476","9485","10.1039/D0RA00329H","","","0.71073","MoKα","","0.0242","0.0228","","","0.0571","0.0578","","","","","","0.988","","","","has coordinates","258065","2020-10-21","18:00:00",""
"7240046","10.7966","0.0004","42.8603","0.0017","13.9138","0.0006","90","","101.311","0.002","90","","6313.5","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C124 H98 Cd6 N12 O35 -","- C124 H98 Cd6 N12 O35 -","- C248 H196 Cd12 N24 O70 -","2","1","","Zhang, Li-Qing; Wang, Xiu-Wen; Gu, Lei; Yu, Ying-Hui; Gao, Jin-Sheng","Three pairs of luminescent coordination polymers based on CoII and CdII clusters for the detection of antibiotics, pesticides and chiral nitro aromatic compounds","RSC Advances","2020","10","16","9476","9485","10.1039/D0RA00329H","","","0.71073","MoKα","","0.0959","0.0727","","","0.187","0.1992","","","","","","1.027","","","","has coordinates","258065","2020-10-21","18:00:00",""
"7240047","10.0363","0.0003","22.7634","0.0008","11.2352","0.0003","90","","101.676","0.001","90","","2513.68","0.13","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H40 Cd2 N4 O16 -","- C50 H40 Cd2 N4 O16 -","- C100 H80 Cd4 N8 O32 -","2","1","","Zhang, Li-Qing; Wang, Xiu-Wen; Gu, Lei; Yu, Ying-Hui; Gao, Jin-Sheng","Three pairs of luminescent coordination polymers based on CoII and CdII clusters for the detection of antibiotics, pesticides and chiral nitro aromatic compounds","RSC Advances","2020","10","16","9476","9485","10.1039/D0RA00329H","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","258065","2020-10-21","18:00:00",""
"7240048","20.8879","0.0015","7.2791","0.0005","21.5015","0.0015","90","","96.086","0.005","90","","3250.8","0.4","173","2","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 N4 O3 -","- C19 H16 N4 O3 -","- C152 H128 N32 O24 -","8","1","","Changunda, Charles R. K.; Venkatesh, B. C.; Mokone, William K.; Rousseau, Amanda L.; Brady, Dean; Fernandes, Manuel A.; Bode, Moira L.","Efficient one-pot synthesis of functionalised imidazo[1,2-a]pyridines and unexpected synthesis of novel tetracyclic derivatives by nucleophilic aromatic substitution","RSC Advances","2020","10","14","8104","8114","10.1039/C9RA10447J","","","0.71073","MoKα","","0.1383","0.0444","","","0.0686","0.0847","","","","","","0.78","","","","has coordinates","258088","2020-10-21","18:00:00",""
"7240049","12.0432","0.0007","7.3016","0.0004","18.3346","0.0012","90","","96.116","0.004","90","","1603.07","0.17","173","2","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N4 O -","- C20 H16 N4 O -","- C80 H64 N16 O4 -","4","1","","Changunda, Charles R. K.; Venkatesh, B. C.; Mokone, William K.; Rousseau, Amanda L.; Brady, Dean; Fernandes, Manuel A.; Bode, Moira L.","Efficient one-pot synthesis of functionalised imidazo[1,2-a]pyridines and unexpected synthesis of novel tetracyclic derivatives by nucleophilic aromatic substitution","RSC Advances","2020","10","14","8104","8114","10.1039/C9RA10447J","","","0.71073","MoKα","","0.1629","0.041","","","0.0524","0.0687","","","","","","0.716","","","","has coordinates","258088","2020-10-21","18:00:00",""
"7240050","7.2347","0.0002","12.4282","0.0002","20.6075","0.0003","90","","90","","90","","1852.91","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 N O4 -","- C9 H11 N O4 -","- C72 H88 N8 O32 -","8","2","","Záborský, Ondrej; Petrovičová, Ľudmila; Doháňošová, Jana; Moncol, Ján; Fischer, Róbert","Simple and efficient synthesis of bicyclic enol-carbamates: access to brabantamides and their analogues","RSC Advances","2020","10","12","6790","6793","10.1039/D0RA00796J","","","1.54186","CuKα","","0.0269","0.0265","","","0.0717","0.0718","","","","","","1.071","","","","has coordinates","258141","2020-10-21","18:00:00",""
"7240051","9.5701","0.0001","7.7138","0.0002","11.0161","0.0002","90","","90.42","0.001","90","","813.21","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H9 N O4 -","- C8 H9 N O4 -","- C32 H36 N4 O16 -","4","2","","Záborský, Ondrej; Petrovičová, Ľudmila; Doháňošová, Jana; Moncol, Ján; Fischer, Róbert","Simple and efficient synthesis of bicyclic enol-carbamates: access to brabantamides and their analogues","RSC Advances","2020","10","12","6790","6793","10.1039/D0RA00796J","","","1.54186","CuKα","","0.0226","0.0223","","","0.0577","0.0579","","","","","","1.053","","","","has coordinates","258141","2020-10-21","18:00:00",""
"7240052","9.5249","0.0001","9.1755","0.0001","24.7518","0.0003","90","","95.845","0.001","90","","2151.95","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H38 N2 O3 -","- C22 H38 N2 O3 -","- C88 H152 N8 O12 -","4","2","","Záborský, Ondrej; Petrovičová, Ľudmila; Doháňošová, Jana; Moncol, Ján; Fischer, Róbert","Simple and efficient synthesis of bicyclic enol-carbamates: access to brabantamides and their analogues","RSC Advances","2020","10","12","6790","6793","10.1039/D0RA00796J","","","1.54186","CuKα","","0.0287","0.0282","","","0.0792","0.0806","","","","","","1.031","","","","has coordinates","258141","2020-10-21","18:00:00",""
"7240053","8.4606","0.0004","16.9137","0.0008","35.129","0.003","90","","90.02","0.02","90","","5027","0.5","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C240 H228 N12 O48 -","12","3","","Zhao, Yong-Long; Tang, Yong-Qin; Fei, Xing-Hai; Yang, Fen-Fen; Cao, Zhuo-Xian; Duan, Dong-Zhu; Zhao, Qing-Jie; Yang, Yuan-Yong; Zhou, Meng; He, Bin","Direct C(sp3)‒H acyloxylation of indolin-3-ones with carboxylic acids catalysed by KI","Green Chemistry","2020","22","8","2354","2358","10.1039/C9GC04446A","","x-ray","0.71073","MoKα","","0.0779","0.0515","","","0.1179","0.1354","","","","","","1.027","","","","has coordinates","257581","2020-10-21","18:00:00",""
"7240054","6.3212","0.0009","6.3212","0.0009","53.448","0.011","90","","90","","120","","1849.5","0.5","173","2","173","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C9 H24 N2 O3 -","- C9 H24 N2 O3 -","- C54 H144 N12 O18 -","6","0.166667","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0359","0.0331","","","0.0922","0.0946","","","","","","1.118","","","","has coordinates","249106","2020-10-21","18:00:00",""
"7240055","5.6697","0.0004","10.5672","0.0006","15.5754","0.001","109.348","0.001","96.606","0.001","91.607","0.001","872.44","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C40 H40 N4 O8 -","2","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0389","0.0359","","","0.0885","0.0907","","","","","","1.059","","","","has coordinates","249106","2020-10-21","18:00:00",""
"7240056","5.7726","0.0012","7.9815","0.0016","16.594","0.003","99.36","0.03","99.28","0.03","97.44","0.03","734.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N3 O5 -","- C15 H15 N3 O5 -","- C30 H30 N6 O10 -","2","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0553","0.0403","","","0.0898","0.0971","","","","","","1.04","","","","has coordinates","249106","2020-10-21","18:00:00",""
"7240057","25.731","0.005","8.2594","0.0017","12.118","0.002","90","","90","","90","","2575.3","0.8","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C28 H31 N3 O4 -","- C28 H31 N3 O4 -","- C112 H124 N12 O16 -","4","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0473","0.0415","","","0.0996","0.1028","","","","","","1.068","","","","has coordinates,has disorder","249106","2020-10-21","18:00:00",""
"7240058","7.1918","0.0014","8.757","0.0018","18.766","0.004","89.75","0.03","79.83","0.03","72.07","0.03","1105.2","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C48 H56 N4 O8 -","2","2","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.1152","0.0647","","","0.1511","0.1786","","","","","","1.023","","","","has coordinates,has disorder","249106","2020-10-21","18:00:00",""
"7240059","9.531","0.0019","8.303","0.0017","9.885","0.002","90","","111.82","0.03","90","","726.2","0.3","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C32 H34 N2 O8 -","2","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.05","0.0392","","","0.081","0.0862","","","","","","0.992","","","","has coordinates","249106","2020-10-21","18:00:00",""
"7240060","8.3469","0.0017","12.268","0.003","20.595","0.004","84.66","0.03","86.58","0.03","76.63","0.03","2041.3","0.8","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C44 H48 N2 O12 -","- C44 H48 N2 O12 -","- C88 H96 N4 O24 -","2","2","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.1012","0.0768","","","0.1977","0.2177","","","","","","1.019","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7240061","11.773","0.002","8.493","0.0017","22.318","0.005","90","","96.22","0.03","90","","2218.4","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C96 H112 N8 O16 -","4","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0822","0.0545","","","0.1303","0.1464","","","","","","1.025","","","","has coordinates,has disorder","249106","2020-10-21","18:00:00",""
"7240062","22.906","0.005","5.7441","0.0011","15.376","0.003","90","","100.98","0.03","90","","1986.1","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C88 H96 N8 O16 -","4","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.1345","0.0782","","","0.1955","0.2287","","","","","","1.035","","","","has coordinates,has disorder","249106","2020-10-21","18:00:00",""
"7240063","7.0626","0.0014","8.7704","0.0018","18.63","0.004","90.98","0.03","100.42","0.03","107.25","0.03","1080.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C48 H56 N4 O8 -","2","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0683","0.0513","","","0.1213","0.1313","","","","","","1.057","","","","has coordinates","249106","2020-10-21","18:00:00",""
"7240064","12.222","0.002","14.926","0.003","22.984","0.005","90","","103.42","0.03","90","","4078.4","1.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 N2 O12 -","- C44 H48 N2 O12 -","- C176 H192 N8 O48 -","4","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.1101","0.0696","","","0.1655","0.1906","","","","","","1.03","","","","has coordinates,has disorder","249106","2020-10-21","18:00:00",""
"7240065","8.43","0.006","17.184","0.013","9.073","0.007","90","","93.26","0.04","90","","1312.2","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4',6'-dihydroxy-3-(morpholino-4-ium)-3H-spiro[benzo[d][1,2]oxaborole-2,2'-[1,3,5,2,4,6]trioxatriborinan]-2-uide","","- C11 H16 B3 N O7 -","- C11 H16 B3 N O7 -","- C44 H64 B12 N4 O28 -","4","1","","Ming, Wenbo; Liu, Xiaocui; Friedrich, Alexandra; Krebs, Johannes; Budiman, Yudha P.; Huang, Mingming; Marder, Todd B.","Concise synthesis of α-amino cyclic boronates via multicomponent coupling of salicylaldehydes, amines, and B2(OH)4","Green Chemistry","2020","22","7","2184","2190","10.1039/D0GC00346H","","","0.71073","MoKα","","0.066","0.0472","","","0.1103","0.1188","","","","","","1.032","","","","has coordinates","257615","2020-10-21","18:00:00",""
"7240066","9.549","0.005","11.307","0.002","13.26","0.003","100.88","0.03","92.261","0.011","105.79","0.03","1346.6","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3-(dibenzylammonio)-4',6'-dihydroxy-3H-spiro[benzo[d][1,2]oxaborole-2,2'-[1,3,5,2,4,6]trioxatriborinan]-2-uide","","- C27 H34 B3 N O8 -","- C27 H34 B3 N O8 -","- C54 H68 B6 N2 O16 -","2","1","","Ming, Wenbo; Liu, Xiaocui; Friedrich, Alexandra; Krebs, Johannes; Budiman, Yudha P.; Huang, Mingming; Marder, Todd B.","Concise synthesis of α-amino cyclic boronates via multicomponent coupling of salicylaldehydes, amines, and B2(OH)4","Green Chemistry","2020","22","7","2184","2190","10.1039/D0GC00346H","","","0.71073","MoKα","","0.0534","0.0415","","","0.1006","0.1076","","","","","","1.048","","","","has coordinates,has disorder","257615","2020-10-21","18:00:00",""
"7240067","11.314","0.007","11.98","0.008","17.961","0.01","72.586","0.009","79.494","0.013","72.755","0.019","2207","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5,7-di-tert-butyl-4',6'-dihydroxy-3-(morpholino-4-ium)-3H-spiro[benzo[d][1,2]oxaborole-2,2'-[1,3,5,2,4,6]trioxatriborinan]-2-uide","","- C19 H32 B3 N O7 -","- C19 H32 B3 N O7 -","- C76 H128 B12 N4 O28 -","4","2","","Ming, Wenbo; Liu, Xiaocui; Friedrich, Alexandra; Krebs, Johannes; Budiman, Yudha P.; Huang, Mingming; Marder, Todd B.","Concise synthesis of α-amino cyclic boronates via multicomponent coupling of salicylaldehydes, amines, and B2(OH)4","Green Chemistry","2020","22","7","2184","2190","10.1039/D0GC00346H","","x-ray","0.71073","MoKα","","0.1549","0.0718","","","0.1277","0.1569","","","","","","1.016","","","","has coordinates","257615","2020-10-21","18:00:00",""
"7240068","9.7525","0.0003","20.6661","0.0006","6.358","0.0002","90","","90","","90","","1281.43","0.07","293","","293","","","","101","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.71073","MoKα","","0.0516","0.0218","","0.0788","0.0492","0.0788","","","","","","0.6939","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240069","9.7361","0.0008","20.626","0.013","6.3029","0.0007","90","","90","","90","","1265.7","0.8","293","","293","","","","160000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0348","0.0348","","0.0872","0.0872","0.0872","","","","","","1.0603","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240070","9.6689","0.0007","20.509","0.011","6.1816","0.0005","90","","90","","90","","1225.8","0.7","293","","293","","","","580000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0198","0.0198","","0.051","0.051","0.051","","","","","","0.9958","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240071","9.7551","0.0008","20.661","0.014","6.334","0.0007","90","","90","","90","","1276.6","0.9","293","","293","","","","110000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0351","0.0351","","0.0834","0.0834","0.0834","","","","","","1.166","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240072","9.7115","0.0008","20.57","0.013","6.2627","0.0007","90","","90","","90","","1251.1","0.8","293","","293","","","","290000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0266","0.0266","","0.0666","0.0666","0.0666","","","","","","0.9557","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240073","9.6376","0.0008","20.354","0.014","6.0986","0.0006","90","","90","","90","","1196.3","0.8","293","","293","","","","1030000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0332","0.0332","","0.0828","0.0828","0.0828","","","","","","0.9058","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240074","9.6249","0.0011","20.271","0.019","5.9805","0.001","90","","90","","90","","1166.8","1.1","293","","293","","","","1470000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0692","0.0692","","0.1547","0.1547","0.1547","","","","","","1.1468","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240075","9.5805","0.0009","20.129","0.016","5.8077","0.0009","90","","90","","90","","1120","0.9","293","","293","","","","2380000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0834","0.0834","","0.1883","0.1883","0.1883","","","","","","1.1635","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240076","9.5883","0.0009","20.186","0.015","5.8532","0.0009","90","","90","","90","","1132.9","0.9","293","","293","","","","1980000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0747","0.0747","","0.1705","0.1705","0.1705","","","","","","1.0492","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240077","11.7653","0.0006","15.9132","0.0008","6.9886","0.0003","90","","116.846","0.005","90","","1167.41","0.11","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H16 K2 N12 O16 Zn -","- C12 H16 K2 N12 O16 Zn -","- C24 H32 K4 N24 O32 Zn2 -","2","0.25","","Kang, Kaijin; Meng, Xianghe; Liang, Fei; Tang, Jian; Zeng, Tixian; Yin, Wenlong; Lin, Zheshuai; Xia, Mingjun","Hydroisocyanurates X2Y(H2C3N3O3)4•4H2O (X = K, Cs; Y = Zn, Cd) with large birefringence stemming from π−conjugated (H2C3N3O3)− anions","CrystEngComm","2020","","","","","10.1039/D0CE00094A","","","0.71073","MoKα","","0.0187","0.018","","","0.0567","0.0569","","","","","","1.17","","","","has coordinates","249163","2020-10-21","18:00:00",""
"7240078","10.6404","0.0006","16.1413","0.001","7.0699","0.0004","90","","99.247","0.006","90","","1198.48","0.12","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H16 Cd K2 N12 O16 -","- C12 H16 Cd K2 N12 O16 -","- C24 H32 Cd2 K4 N24 O32 -","2","0.25","","Kang, Kaijin; Meng, Xianghe; Liang, Fei; Tang, Jian; Zeng, Tixian; Yin, Wenlong; Lin, Zheshuai; Xia, Mingjun","Hydroisocyanurates X2Y(H2C3N3O3)4•4H2O (X = K, Cs; Y = Zn, Cd) with large birefringence stemming from π−conjugated (H2C3N3O3)− anions","CrystEngComm","2020","","","","","10.1039/D0CE00094A","","","0.71073","MoKα","","0.0198","0.0197","","","0.0514","0.0515","","","","","","1.113","","","","has coordinates","249163","2020-10-21","18:00:00",""
"7240079","11.3093","0.0009","16.4363","0.001","7.1029","0.0005","90","","104.568","0.008","90","","1277.86","0.16","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H16 Cs2 N12 O16 Zn -","- C12 H16 Cs2 N12 O16 Zn -","- C24 H32 Cs4 N24 O32 Zn2 -","2","0.25","","Kang, Kaijin; Meng, Xianghe; Liang, Fei; Tang, Jian; Zeng, Tixian; Yin, Wenlong; Lin, Zheshuai; Xia, Mingjun","Hydroisocyanurates X2Y(H2C3N3O3)4•4H2O (X = K, Cs; Y = Zn, Cd) with large birefringence stemming from π−conjugated (H2C3N3O3)− anions","CrystEngComm","2020","","","","","10.1039/D0CE00094A","","","0.71073","MoKα","","0.0332","0.0312","","","0.0827","0.084","","","","","","1.075","","","","has coordinates","249163","2020-10-21","18:00:00",""
"7240080","19.824","0.007","11.339","0.004","21.851","0.008","90","","102.489","0.005","90","","4796","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 Br4 Co N8 O4 -","- C52 H36 Br4 Co N8 O4 -","- C208 H144 Br16 Co4 N32 O16 -","4","0.5","","Li, Ai-Ling; Qu, Yun-Hua; Fu, Lianshe; han, chao; Cui, Guang Hua","Multidimensional luminescent cobalt(II)-coordination polymers as sensors with extremely high sensitivity and selectivity for detecting of acetylacetone, benzaldehyde and Cr2O72‒","CrystEngComm","2020","","","","","10.1039/D0CE00077A","","","0.71073","MoKα","","0.0543","0.0326","","","0.0686","0.0748","","","","","","1","","","","has coordinates","249164","2020-10-21","18:00:00",""
"7240081","11.7985","0.0004","12.4546","0.0004","14.7712","0.0005","69.939","0.003","77.41","0.002","71.947","0.003","1923.28","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H28 Br4 Co N6 O4 -","- C41 H28 Br4 Co N6 O4 -","- C82 H56 Br8 Co2 N12 O8 -","2","1","","Li, Ai-Ling; Qu, Yun-Hua; Fu, Lianshe; han, chao; Cui, Guang Hua","Multidimensional luminescent cobalt(II)-coordination polymers as sensors with extremely high sensitivity and selectivity for detecting of acetylacetone, benzaldehyde and Cr2O72‒","CrystEngComm","2020","","","","","10.1039/D0CE00077A","","","0.71073","MoKα","","0.1021","0.064","","","0.1327","0.148","","","","","","1.064","","","","has coordinates","249164","2020-10-21","18:00:00",""
"7240082","11.0843","0.0007","13.9824","0.0009","17.4272","0.001","104.024","0.001","99.077","0.002","112.104","0.002","2332.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H37 Br4 Co N8 O4 -","- C52 H37 Br4 Co N8 O4 -","- C104 H74 Br8 Co2 N16 O8 -","2","1","","Li, Ai-Ling; Qu, Yun-Hua; Fu, Lianshe; han, chao; Cui, Guang Hua","Multidimensional luminescent cobalt(II)-coordination polymers as sensors with extremely high sensitivity and selectivity for detecting of acetylacetone, benzaldehyde and Cr2O72‒","CrystEngComm","2020","","","","","10.1039/D0CE00077A","","","0.71073","MoKα","","0.0564","0.045","","","0.1286","0.1367","","","","","","0.978","","","","has coordinates","249164","2020-10-21","18:00:00",""
"7240083","13.846","0.003","15.903","0.004","15.702","0.004","90","","95.968","0.005","90","","3438.7","1.4","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H33 N4 O16 Tb -","- C36 H33 N4 O16 Tb -","- C144 H132 N16 O64 Tb4 -","4","0.5","","Li, Qipeng; Qian, Jinjie; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Highly chemical and thermally stable lanthanide coordination polymers for luminescent probe and white light emitting diodes","CrystEngComm","2020","","","","","10.1039/D0CE00228C","","","0.71073","MoKα","","0.0215","0.021","","","0.0513","0.0517","","","","","","1.071","","","","has coordinates","249165","2020-10-21","18:00:00",""
"7240084","13.86","0.004","15.922","0.004","15.717","0.007","90","","95.973","0.005","90","","3450","2","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H33 Gd N4 O16 -","- C36 H33 Gd N4 O16 -","- C144 H132 Gd4 N16 O64 -","4","0.5","","Li, Qipeng; Qian, Jinjie; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Highly chemical and thermally stable lanthanide coordination polymers for luminescent probe and white light emitting diodes","CrystEngComm","2020","","","","","10.1039/D0CE00228C","","","0.71073","MoKα","","0.0245","0.0235","","","0.0548","0.0555","","","","","","1.067","","","","has coordinates","249165","2020-10-21","18:00:00",""
"7240085","13.874","0.003","15.916","0.004","15.76","0.004","90","","96.095","0.004","90","","3460.4","1.4","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 Eu N4 O16 -","- C36 H31.5 Eu N4 O16 -","- C144 H126 Eu4 N16 O64 -","4","0.5","","Li, Qipeng; Qian, Jinjie; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Highly chemical and thermally stable lanthanide coordination polymers for luminescent probe and white light emitting diodes","CrystEngComm","2020","","","","","10.1039/D0CE00228C","","","0.71073","MoKα","","0.0208","0.0201","","","0.0501","0.0506","","","","","","1.116","","","","has coordinates,has disorder","249165","2020-10-21","18:00:00",""
"7240086","17.2085","0.0006","12.9123","0.0005","7.4057","0.0002","90","","98.71","0.002","90","","1626.58","0.1","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N6 O7 Pb -","- C12 H10 N6 O7 Pb -","- C48 H40 N24 O28 Pb4 -","4","1","","Safin, Damir; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Gupta, Arunava; Qu, Fengrui; Kose, Muhammet; Zubkov, Fedor Ivanovich; Zangrando, Ennio; Alkorta, Ibon","Supramolecular lead(II) architectures engineered by tetrel bonds","CrystEngComm","2020","","","","","10.1039/D0CE00102C","","","0.71073","MoKα","","0.0218","0.0172","","","0.0384","0.0395","","","","","","1.075","","","","has coordinates","249166","2020-10-21","18:00:00",""
"7240087","10.4298","0.0016","9.44","0.0012","15.177","0.0018","90","","105.911","0.015","90","","1437","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Cl N4 O5 Pb -","- C12 H9 Cl N4 O5 Pb -","- C48 H36 Cl4 N16 O20 Pb4 -","4","1","","Safin, Damir; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Gupta, Arunava; Qu, Fengrui; Kose, Muhammet; Zubkov, Fedor Ivanovich; Zangrando, Ennio; Alkorta, Ibon","Supramolecular lead(II) architectures engineered by tetrel bonds","CrystEngComm","2020","","","","","10.1039/D0CE00102C","","","0.71073","MoKα","","0.1149","0.0732","","","0.1579","0.1901","","","","","","0.996","","","","has coordinates,has disorder","249166","2020-10-21","18:00:00",""
"7240088","7.0192","0.0004","16.1126","0.0007","15.0998","0.0008","90","","102.955","0.004","90","","1664.28","0.15","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H24 N12 O8 Pb2 S2 -","- C28 H24 N12 O8 Pb2 S2 -","- C56 H48 N24 O16 Pb4 S4 -","2","0.5","","Safin, Damir; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Gupta, Arunava; Qu, Fengrui; Kose, Muhammet; Zubkov, Fedor Ivanovich; Zangrando, Ennio; Alkorta, Ibon","Supramolecular lead(II) architectures engineered by tetrel bonds","CrystEngComm","2020","","","","","10.1039/D0CE00102C","","","0.71073","MoKα","","0.045","0.0423","","","0.1043","0.1055","","","","","","1.059","","","","has coordinates","249166","2020-10-21","18:00:00",""
"7240089","12.8944","0.0011","12.8937","0.0011","12.963","0.0012","82.985","0.002","66.987","0.001","88.659","0.002","1968.1","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 Cl2 F12 N6 P2 Ru -","- C36 H28 Cl2 F12 N6 P2 Ru -","- C72 H56 Cl4 F24 N12 P4 Ru2 -","2","1","","Dong, Wenjin; Tang, Jie; Zhao, Lijun; Chen, Fushan; Deng, Li; Xian, Mo","The visible-light-driven transfer hydrogenation of nicotinamide cofactors with a robust ruthenium complex photocatalyst","Green Chemistry","2020","22","7","2279","2287","10.1039/D0GC00331J","","","0.71073","MoKα","","0.1263","0.098","","","0.2296","0.2467","","","","","","1.095","","","","has coordinates","257614","2020-10-21","18:00:00",""
"7240090","11.159","0.0011","12.3059","0.0012","14.8631","0.0013","67.875","0.001","68.045","0.001","86.116","0.003","1747.3","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H31 F6 N5 O2 P Ru -","- C37 H31 F6 N5 O2 P Ru -","- C74 H62 F12 N10 O4 P2 Ru2 -","2","1","","Dong, Wenjin; Tang, Jie; Zhao, Lijun; Chen, Fushan; Deng, Li; Xian, Mo","The visible-light-driven transfer hydrogenation of nicotinamide cofactors with a robust ruthenium complex photocatalyst","Green Chemistry","2020","22","7","2279","2287","10.1039/D0GC00331J","","","0.71073","MoKα","","0.1327","0.0942","","","0.2165","0.237","","","","","","1.136","","","","has coordinates,has disorder","257614","2020-10-21","18:00:00",""
"7240091","13.592","0.0011","13.6081","0.0011","14.0589","0.0012","64.306","0.002","73.922","0.004","64.168","0.003","2096.6","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H34 Cl3 F6 N5 P Ru -","- C43 H34 Cl3 F6 N5 P Ru -","- C86 H68 Cl6 F12 N10 P2 Ru2 -","2","1","","Dong, Wenjin; Tang, Jie; Zhao, Lijun; Chen, Fushan; Deng, Li; Xian, Mo","The visible-light-driven transfer hydrogenation of nicotinamide cofactors with a robust ruthenium complex photocatalyst","Green Chemistry","2020","22","7","2279","2287","10.1039/D0GC00331J","","","0.71073","MoKα","","0.1117","0.0635","","","0.1569","0.185","","","","","","1.046","","","","has coordinates,has disorder","257614","2020-10-21","18:00:00",""
"7240092","9.0468","0.0005","12.0453","0.0006","12.0619","0.0007","66.472","0.001","88.546","0.001","88.769","0.001","1204.65","0.11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H49 F6 Ir2 N4 O10.5 S2 Si4 -","- C34 H48 F6 Ir2 N4 O10 S2 Si4 -","- C34 H48 F6 Ir2 N4 O10 S2 Si4 -","1","0.5","","Guzmán, Jefferson; García-Orduña, Pilar; Lahoz, Fernando J.; Fernández-Alvarez, Francisco J.","Unprecedent formation of methylsilylcarbonates from iridium-catalyzed reduction of CO2 with hydrosilanes","RSC Advances","2020","10","16","9582","9586","10.1039/D0RA00204F","","","0.71073","MoKα","","0.0134","0.0131","","","0.0323","0.0324","","","","","","1.115","","","","has coordinates","258066","2020-10-21","18:00:00",""
"7240093","11.7605","0.0007","12.7062","0.0008","37.334","0.002","90","","91.06","0.001","90","","5577.9","0.6","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H70 B2 O6 S5 V -","- C58 H69.124 B2 O6 S5 V -","- C232 H276.496 B8 O24 S20 V4 -","4","1","","Sakiyama, Hiroshi; Abiko, Takaaki; Yoshida, Kosuke; Shomura, Kaoru; Mitsuhashi, Ryoji; Koyama, Yoshiki; Mikuriya, Masahiro; Koikawa, Masayuki; Mitsumi, Minoru","Detailed magnetic analysis and successful deep-neural-network-based conformational prediction for [VO(dmso)5][BPh4]2","RSC Advances","2020","10","16","9678","9685","10.1039/D0RA00854K","","","0.71073","MoKα","","0.0833","0.0544","","","0.1136","0.1289","","","","","","1.027","","","","has coordinates,has disorder","258064","2020-10-21","18:00:00",""
"7240094","9.8339","0.0002","15.8974","0.0002","9.4749","0.0002","90","","114.464","0.002","90","","1348.26","0.05","160","1","160","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 N3 S -","- C14 H21 N3 S -","- C56 H84 N12 S4 -","4","1","","El-Emam, Ali A.; Saveeth Kumar, Elangovan; Janani, Krishnakumar; Al-Wahaibi, Lamya H.; Blacque, Olivier; El-Awady, Mohamed I.; Al-Shaalan, Nora H.; Percino, M. Judith; Thamotharan, Subbiah","Quantitative assessment of the nature of noncovalent interactions in N-substituted-5-(adamantan-1-yl)-1,3,4-thiadiazole-2-amines: insights from crystallographic and QTAIM analysis","RSC Advances","2020","10","17","9840","9853","10.1039/D0RA00733A","","x-ray","1.54184","CuKα","","0.0331","0.0321","","","0.0829","0.0839","","","","","","1.062","","","","has coordinates","258043","2020-10-21","18:00:00",""
"7240095","6.7254","0.0007","10.9787","0.0005","11.9955","0.001","116.607","0.006","94.587","0.008","90.941","0.006","788.01","0.12","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 F N3 S -","- C18 H20 F N3 S -","- C36 H40 F2 N6 S2 -","2","1","","El-Emam, Ali A.; Saveeth Kumar, Elangovan; Janani, Krishnakumar; Al-Wahaibi, Lamya H.; Blacque, Olivier; El-Awady, Mohamed I.; Al-Shaalan, Nora H.; Percino, M. Judith; Thamotharan, Subbiah","Quantitative assessment of the nature of noncovalent interactions in N-substituted-5-(adamantan-1-yl)-1,3,4-thiadiazole-2-amines: insights from crystallographic and QTAIM analysis","RSC Advances","2020","10","17","9840","9853","10.1039/D0RA00733A","","","1.54184","CuKα","","0.0725","0.0652","","","0.1988","0.2034","","","","","","1.062","","","","has coordinates","258043","2020-10-21","18:00:00",""
"7240096","6.7648","0.0002","11.4551","0.0002","11.4985","0.0002","110.417","0.002","95.24","0.002","93.613","0.002","827.26","0.03","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Br N3 S -","- C18 H20 Br N3 S -","- C36 H40 Br2 N6 S2 -","2","1","","El-Emam, Ali A.; Saveeth Kumar, Elangovan; Janani, Krishnakumar; Al-Wahaibi, Lamya H.; Blacque, Olivier; El-Awady, Mohamed I.; Al-Shaalan, Nora H.; Percino, M. Judith; Thamotharan, Subbiah","Quantitative assessment of the nature of noncovalent interactions in N-substituted-5-(adamantan-1-yl)-1,3,4-thiadiazole-2-amines: insights from crystallographic and QTAIM analysis","RSC Advances","2020","10","17","9840","9853","10.1039/D0RA00733A","","x-ray","1.54184","CuKα","","0.0241","0.0234","","","0.061","0.0614","","","","","","1.047","","","","has coordinates","258043","2020-10-21","18:00:00",""
"7240097","16","0.002","6.7252","0.0009","30.665","0.004","90","","98.08","0.01","90","","3266.9","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C152 H160 N16 O24 -","8","1","","Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L.","Photophysical transformations induced by chemical substitution to salicylaldimines.","Physical chemistry chemical physics : PCCP","2020","22","12","6698","6705","10.1039/d0cp00110d","","","1.54178","CuKα","","0.1769","0.07","","","0.139","0.1832","","","","","","1.016","","","","has coordinates","250378","2020-10-21","18:00:00",""
"7240098","8.949","0.005","21.987","0.006","8.156","0.004","90","","103.14","0.04","90","","1562.8","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C68 H84 N12 O4 -","4","1","","Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L.","Photophysical transformations induced by chemical substitution to salicylaldimines.","Physical chemistry chemical physics : PCCP","2020","22","12","6698","6705","10.1039/d0cp00110d","","","1.54184","CuKα","","0.0743","0.0517","","","0.1309","0.1459","","","","","","1.016","","","","has coordinates,has disorder","250378","2020-10-21","18:00:00",""
"7240099","14.488","0.008","6.787","0.002","16.457","0.008","90","","98.99","0.05","90","","1598.3","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C72 H76 N12 O4 -","4","1","","Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L.","Photophysical transformations induced by chemical substitution to salicylaldimines.","Physical chemistry chemical physics : PCCP","2020","22","12","6698","6705","10.1039/d0cp00110d","","","1.54184","CuKα","","0.1829","0.0616","","","0.1171","0.1586","","","","","","1","","","","has coordinates","250378","2020-10-21","18:00:00",""
"7240100","4.875","0.004","13.717","0.017","14.116","0.011","112.92","0.09","96.63","0.08","92.67","0.11","859.3","1.6","274","2","274","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N4 O -","- C19 H18 N4 O -","- C38 H36 N8 O2 -","2","1","","Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L.","Photophysical transformations induced by chemical substitution to salicylaldimines.","Physical chemistry chemical physics : PCCP","2020","22","12","6698","6705","10.1039/d0cp00110d","","","1.54184","CuKα","","0.1238","0.0608","","","0.115","0.1383","","","","","","1.037","","","","has coordinates,has disorder","250378","2020-10-21","18:00:00",""
"7240101","7.175","0.003","14.95","0.008","13.418","0.012","90","","95.31","0.03","90","","1433.1","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N4 O -","- C15 H18 N4 O -","- C60 H72 N16 O4 -","4","1","","Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L.","Photophysical transformations induced by chemical substitution to salicylaldimines.","Physical chemistry chemical physics : PCCP","2020","22","12","6698","6705","10.1039/d0cp00110d","","","1.54184","CuKα","","0.1043","0.0588","","","0.1132","0.1292","","","","","","1.053","","","","has coordinates,has disorder","250378","2020-10-21","18:00:00",""
"7240102","8.499","0.006","8.283","0.006","23.92","0.02","90","","94.86","0.03","90","","1678","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N4 O -","- C19 H18 N4 O -","- C76 H72 N16 O4 -","4","1","","Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L.","Photophysical transformations induced by chemical substitution to salicylaldimines.","Physical chemistry chemical physics : PCCP","2020","22","12","6698","6705","10.1039/d0cp00110d","","","1.54184","CuKα","","0.1489","0.0868","","","0.1595","0.1848","","","","","","1.087","","","","has coordinates","250378","2020-10-21","18:00:00",""
"7240103","10.156","0.002","11.413","0.002","11.888","0.002","90","","111.69","0.03","90","","1280.4","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H38 N6 O8 -","- C19 H38 N6 O8 -","- C38 H76 N12 O16 -","2","1","","Locarno, Silvia; Argentiere, Simona; Ruffoni, Alessandro; Maggioni, Daniela; Soave, Raffaella; Bucci, Raffaella; Erba, Emanuela; Lenardi, Cristina; Gelmi, Maria Luisa; Clerici, Francesca","Self-assembled hydrophobic Ala-Aib peptide encapsulating curcumin: a convenient system for water insoluble drugs","RSC Advances","2020","10","17","9964","9975","10.1039/C9RA10981A","","","0.71073","MoKα","","0.0931","0.0417","","","0.0976","0.12","","","","","","0.962","","","","has coordinates","258047","2020-10-21","18:00:00",""
"7240104","16.8951","0.0003","18.5524","0.0003","10.2114","0.0002","90","","96.339","0.002","90","","3181.14","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H58 Cl8 N10 O6 -","- C66 H58 Cl8 N10 O6 -","- C132 H116 Cl16 N20 O12 -","2","0.5","","Prabhakaran, Perumal; Rajakumar, Perumal","Regio- and stereoselective synthesis of spiropyrrolidine-oxindole and bis-spiropyrrolizidine-oxindole grafted macrocycles through [3 + 2] cycloaddition of azomethine ylides","RSC Advances","2020","10","17","10263","10276","10.1039/C9RA10463A","","","0.71073","MoKα","","0.07","0.0556","","","0.1332","0.1511","","","","","","1.103","","","","has coordinates,has disorder","258044","2020-10-21","18:00:00",""
"7240105","9.0376","0.0002","9.5049","0.0002","11.5608","0.0002","77.439","0.002","76.725","0.002","87.542","0.002","943.39","0.03","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","4-(5-bromopyrimidin-4-yl)phenol","","- C10 H7 Br N2 O -","- C10 H7 Br N2 O -","- C40 H28 Br4 N8 O4 -","4","2","","Shcherbakov, Stanislav S.; Magometov, Artyom Yu.; Shcherbakova, Viktoriia Yu.; Aksenov, Alexander V.; Domenyuk, Dmitriy A.; Zelensky, Vladimir A.; Rubin, Michael","Electrophilic alkylation of arenes with 5-bromopyrimidine en route to 4-aryl-5-alkynylpyrimidines","RSC Advances","2020","10","17","10315","10321","10.1039/D0RA01335H","","x-ray","1.54184","CuKα","","0.0311","0.0295","","","0.0762","0.078","","","","","","1.084","","","","has coordinates","258046","2020-10-21","18:00:00",""
"7240106","10.9118","0.0006","11.6167","0.0006","13.1533","0.0007","114.9","0.002","109.637","0.002","96.01","0.002","1363.93","0.13","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C35 H34 N2 O2 -","- C35 H34 N2 O2 -","- C70 H68 N4 O4 -","2","1","","Gong, Jing; Peshkov, Anatoly A.; Yu, Jiafeng; Amandykova, Sagadat; Gimnkhan, Aidana; Huang, Jianjun; Kashtanov, Stepan; Pereshivko, Olga P.; Peshkov, Vsevolod A.","Three-component reaction of azulene, aryl glyoxal and 1,3-dicarbonyl compound for the synthesis of various azulene derivatives","RSC Advances","2020","10","17","10113","10117","10.1039/D0RA00356E","","x-ray","0.71073","MoKα","","0.0844","0.045","","","0.0874","0.1","","","","","","1.011","","","","has coordinates","298328","2025-03-07","16:31:40",""
"7240107","7.552","0.003","22.128","0.008","7.398","0.003","90","","91.831","0.011","90","","1235.7","0.8","298","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl8 Cu2 N4 -","- C14 H22 Cl8 Cu2 N4 -","- C28 H44 Cl16 Cu4 N8 -","2","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.0714","0.0669","","","0.1644","0.1673","","","","","","1.231","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240108","7.9785","0.0005","10.715","0.0007","10.8206","0.0007","63.205","0.002","73.58","0.002","87.892","0.002","787.59","0.09","296","2","296.16","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 I6 N4 O2 Zn2 -","- C16 H28 I6 N4 O2 Zn2 -","- C16 H28 I6 N4 O2 Zn2 -","1","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.0391","0.036","","","0.083","0.0859","","","","","","1.183","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240109","7.458","0.005","9.586","0.006","9.603","0.006","99.83","0.018","95.106","0.018","103.695","0.019","651.2","0.7","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H24 Br6 N4 O2 Zn2 -","- C14 H24 Br6 N4 O2 Zn2 -","- C14 H24 Br6 N4 O2 Zn2 -","1","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.1155","0.0966","","","0.2295","0.2491","","","","","","1.197","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240110","7.7826","0.0018","9.85","0.002","10.106","0.002","101.146","0.006","94.713","0.006","105.848","0.006","723.7","0.3","296","2","296.16","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H24 I6 N4 O2 Zn2 -","- C14 H24 I6 N4 O2 Zn2 -","- C14 H24 I6 N4 O2 Zn2 -","1","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.067","0.0656","","","0.1968","0.1989","","","","","","1.131","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240111","12.2223","0.0006","8.3549","0.0004","13.5644","0.0007","90","","105.261","0.002","90","","1336.3","0.12","295","2","295.07","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 Cl8 N4 O2 Zn2 -","- C14 H26 Cl8 N4 O2 Zn2 -","- C28 H52 Cl16 N8 O4 Zn4 -","2","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.0388","0.0356","","","0.0941","0.0968","","","","","","1.102","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240112","10.2666","0.0006","9.5232","0.0006","13.0868","0.0008","90","","106.857","0.002","90","","1224.53","0.13","298","2","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Cl8 N4 Zn2 -","- C14 H22 Cl8 N4 Zn2 -","- C28 H44 Cl16 N8 Zn4 -","2","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71076","MoKα","","0.0287","0.0268","","","0.0648","0.0662","","","","","","1.121","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240113","8.0705","0.0006","20.8072","0.0016","7.8346","0.0006","90","","93.907","0.003","90","","1312.56","0.17","296","2","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 I4 N4 O2 -","- C16 H30 I4 N4 O2 -","- C32 H60 I8 N8 O4 -","2","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.0416","0.0409","","","0.0943","0.0947","","","","","","1.2","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240114","7.7157","0.0013","22.709","0.004","7.5681","0.0013","90","","90.842","0.007","90","","1325.9","0.4","273","2","273","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Br8 Cu2 N4 -","- C14 H22 Br8 Cu2 N4 -","- C28 H44 Br16 Cu4 N8 -","2","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.0744","0.0662","","","0.1533","0.1578","","","","","","1.197","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240115","7.7044","0.0009","10.1649","0.0013","10.5702","0.0013","62.697","0.004","74.1","0.005","85.369","0.005","706.46","0.15","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 Br6 N4 O2 Zn2 -","- C16 H28 Br6 N4 O2 Zn2 -","- C16 H28 Br6 N4 O2 Zn2 -","1","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.1191","0.1129","","","0.2664","0.2697","","","","","","1.19","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240116","12.4886","0.0007","14.0071","0.0006","10.8593","0.0006","90","","114","0.006","90","","1735.38","0.18","287.86","0.1","287.86","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N O11 Tb -","- C14 H16 N O11 Tb -","- C56 H64 N4 O44 Tb4 -","4","1","","Liu, Xinfang; Du, Liyong; Li, Rongfang; Ma, Ningning; You, Mengdi; Feng, Xun","Different Effect in the Selective Detection of Aniline and Fe3+ by Lanthanide-Based Coordination Polymers Containing Multiple Reactive Sites","CrystEngComm","2020","","","","","10.1039/D0CE00238K","","x-ray","0.71073","MoKα","","0.0407","0.0349","","","0.0772","0.0805","","","","","","1.048","","","","has coordinates","249311","2020-10-21","18:00:00",""
"7240117","12.4793","0.0008","13.8564","0.0006","10.7865","0.0006","90","","113.602","0.007","90","","1709.16","0.19","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Eu N O11 -","- C14 H16 Eu N O11 -","- C56 H64 Eu4 N4 O44 -","4","1","","Liu, Xinfang; Du, Liyong; Li, Rongfang; Ma, Ningning; You, Mengdi; Feng, Xun","Different Effect in the Selective Detection of Aniline and Fe3+ by Lanthanide-Based Coordination Polymers Containing Multiple Reactive Sites","CrystEngComm","2020","","","","","10.1039/D0CE00238K","","x-ray","0.71073","MoKα","","0.0445","0.0409","","","0.0989","0.1024","","","","","","1.073","","","","has coordinates","249311","2020-10-21","18:00:00",""
"7240118","6.9735","0.0003","7.8762","0.0002","9.8077","0.0004","99.965","0.003","95.925","0.004","97.05","0.003","522.26","0.03","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 N3 O2 S -","- C11 H9 N3 O2 S -","- C22 H18 N6 O4 S2 -","2","1","","Recio, Javier; Filace, Fabiana; Gala, Elena; Pérez-Redondo, Adrián; Álvarez-Builla, Julio; Burgos, Carolina","Studies on the preparation of aminobipyridines and bipyridine sultams via an intramolecular free radical pathway","RSC Advances","2020","10","18","10447","10451","10.1039/D0RA02026E","","x-ray","0.71073","MoKα","","0.0502","0.042","","","0.1044","0.1122","","","","","","1.159","","","","has coordinates","258110","2020-10-21","18:00:00",""
"7240119","5.5415","0.0002","8.3447","0.0003","11.2281","0.0003","90","","100.172","0.001","90","","511.05","0.03","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H8 Mn Na2 O12 S2 -","- H8 Mn Na2 O12 S2 -","- H16 Mn2 Na4 O24 S4 -","2","0.5","","Ben Yahia, Hamdi; Alkhateeb, Alaa; Essehli, Rachid","Structural and thermal properties of Na2Mn(SO4)2·4H2O and Na2Ni(SO4)2·10H2O","RSC Advances","2020","10","18","10420","10430","10.1039/D0RA00301H","","x-ray","0.71073","MoKα","","0.0204","0.018","","","0.0582","0.0601","","","","1.19","1.19","1.16","","","","has coordinates","258109","2020-10-21","18:00:00",""
"7240120","12.505","0.0008","6.4812","0.0004","10.021","0.0006","90","","106.138","0.002","90","","780.17","0.08","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H20 Na2 Ni O18 S2 -","- H20 Na2 Ni O18 S2 -","- H40 Na4 Ni2 O36 S4 -","2","0.5","","Ben Yahia, Hamdi; Alkhateeb, Alaa; Essehli, Rachid","Structural and thermal properties of Na2Mn(SO4)2·4H2O and Na2Ni(SO4)2·10H2O","RSC Advances","2020","10","18","10420","10430","10.1039/D0RA00301H","","x-ray","0.71073","MoKα","","0.0459","0.0242","","","0.0703","0.0786","","","","1.17","1.17","1.11","","","","has coordinates","258109","2020-10-21","18:00:00",""
"7240121","7.3548","0.0011","22.501","0.003","18.552","0.003","90","","93.135","0.003","90","","3065.6","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F3 N2 O2 -","- C17 H13 F3 N2 O2 -","- C136 H104 F24 N16 O16 -","8","2","","Gao, Yanhui; Zhao, Lulu; Xiang, Tianyi; Li, Pinhua; Wang, Lei","Photoinitiated decarboxylative C3-difluoroarylmethylation of quinoxalin-2(1H)-ones with potassium 2,2-difluoro-2-arylacetates in water","RSC Advances","2020","10","18","10559","10568","10.1039/D0RA02059A","","","0.71073","MoKα","","0.1032","0.0553","","","0.1259","0.1529","","","","","","1.008","","","","has coordinates","258108","2020-10-21","18:00:00",""
"7240122","10.2608","0.0018","10.32","0.002","12.223","0.003","74.779","0.006","77.127","0.006","76.006","0.008","1194.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 Cl2 N3 Ru S2 -","- C24 H25 Cl2 N3 Ru S2 -","- C48 H50 Cl4 N6 Ru2 S4 -","2","1","","Mansour, Ahmed M.; Radacki, Krzysztof","Experimental and DFT studies of sulfadiazine ‘piano-stool’ Ru(ii) and Rh(iii) complexes","RSC Advances","2020","10","18","10673","10680","10.1039/D0RA01085E","","","0.71073","MoKα","","0.0438","0.0397","","","0.0886","0.0912","","","","","","1.047","","","","has coordinates","258107","2020-10-21","18:00:00",""
"7240123","7.177","0.001","13.26","0.001","9.786","0.001","90","","100.09","0.01","90","","916.9","0.18","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","La(IO3)3.H2O","","","- I3 La O10 -","- I3 La O10 -","- I12 La4 O40 -","4","1","","Regny, Sylvain; Suffren, Yan; Leynaud, Olivier; Gautier-Luneau, Isabelle; Dantelle, Geraldine","Evidence of reaction intermediates in microwave-assisted synthesis of SHG active α La(IO3)3 nanocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00156B","","x-ray","0.56087","AgKα","","0.0301","0.0239","","","0.0417","0.0436","","","","","","1.207","","","","has coordinates","249382","2020-10-21","18:00:00",""
"7240124","11.6301","0.0011","13.366","0.0012","15.5869","0.0013","98.161","0.001","101.089","0.002","101.148","0.002","2292.1","0.4","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H58 Ag3 N10 O46 P S6 W12 -","- C40 H58 Ag3 N10 O46 P S6 W12 -","- C40 H58 Ag3 N10 O46 P S6 W12 -","1","0.5","","Dou, Ming-Yu; Huang, Xianqiang; Yang, Guo-Yu","Two Inorganic-Organic Hybrid Silver-Polyoxometalates as Reusable Catalyst for One-Pot Synthesis of Propargylamines via Three-Component Coupling Reaction at Room Temperature","CrystEngComm","2020","","","","","10.1039/D0CE00042F","","","0.71073","MoKα","","0.1331","0.0815","","","0.2058","0.2284","","","","","","0.923","","","","has coordinates,has disorder","249383","2020-10-21","18:00:00",""
"7240125","14.108","0.0013","15.0509","0.0014","16.3421","0.0015","97.136","0.001","108.793","0.002","104.501","0.002","3099.9","0.5","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H112 Ag4 N20 O54 S10 Si W12 -","- C76 H112 Ag4 N20 O54 S10 Si W12 -","- C76 H112 Ag4 N20 O54 S10 Si W12 -","1","0.5","","Dou, Ming-Yu; Huang, Xianqiang; Yang, Guo-Yu","Two Inorganic-Organic Hybrid Silver-Polyoxometalates as Reusable Catalyst for One-Pot Synthesis of Propargylamines via Three-Component Coupling Reaction at Room Temperature","CrystEngComm","2020","","","","","10.1039/D0CE00042F","","","0.71073","MoKα","","0.1372","0.0789","","","0.1943","0.2223","","","","","","0.973","","","","has coordinates,has disorder","249383","2020-10-21","18:00:00",""
"7240126","24.951","0.003","24.951","0.003","34.647","0.005","90","","90","","90","","21570","5","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C84 H90 N12 O6 -","- C84 H90 N12 O6 -","- C672 H720 N96 O48 -","8","1","","Zhang, Lei; Liang, Rongran; Hang, Cheng; Wang, Haiying; Sun, Lin; Xu, Lei; Liu, Dairong; Zhang, Zhenyi; Zhang, Xingmin; Chang, Feifan; Zhao, Shengyu; Huang, Wei","A facile solution-phase synthetic approach for constructing phenol-based porous organic cages and covalent organic frameworks","Green Chemistry","2020","22","8","2498","2504","10.1039/C9GC04033A","","","0.71073","synchrotronMonochr","","0.1283","0.1126","","","0.2724","0.2831","","","","","","1.076","","","","has coordinates","257580","2020-10-21","18:00:00",""
"7240127","18.197","0.002","18.1795","0.0016","23.1831","0.0019","90","","100.957","0.006","90","","7529.4","1.2","123","2","123","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C124 H144 N16 O8 -","- C124 H144 N16 O8 -","- C248 H288 N32 O16 -","2","0.5","","Zhang, Lei; Liang, Rongran; Hang, Cheng; Wang, Haiying; Sun, Lin; Xu, Lei; Liu, Dairong; Zhang, Zhenyi; Zhang, Xingmin; Chang, Feifan; Zhao, Shengyu; Huang, Wei","A facile solution-phase synthetic approach for constructing phenol-based porous organic cages and covalent organic frameworks","Green Chemistry","2020","22","8","2498","2504","10.1039/C9GC04033A","","","0.71073","MoKα","","0.1025","0.0656","","","0.1575","0.1698","","","","","","1.012","","","","has coordinates","257580","2020-10-21","18:00:00",""
"7240128","15.7706","0.0004","15.7706","0.0004","23.9901","0.0014","90","","90","","90","","5966.6","0.4","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C62 H80 N8 O8 -","- C62 H80 N8 O8 -","- C248 H320 N32 O32 -","4","0.5","","Zhang, Lei; Liang, Rongran; Hang, Cheng; Wang, Haiying; Sun, Lin; Xu, Lei; Liu, Dairong; Zhang, Zhenyi; Zhang, Xingmin; Chang, Feifan; Zhao, Shengyu; Huang, Wei","A facile solution-phase synthetic approach for constructing phenol-based porous organic cages and covalent organic frameworks","Green Chemistry","2020","22","8","2498","2504","10.1039/C9GC04033A","","","0.71073","MoKα","","0.0579","0.0474","","","0.1117","0.1167","","","","","","1.052","","","","has coordinates","257580","2020-10-21","18:00:00",""
"7240129","10.1207","0.0004","10.7427","0.0005","27.9069","0.0012","99.871","0.004","90.774","0.004","117.159","0.005","2645","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C47 H89 N3 O13.5 V3 -","- C47 H89 N3 O13.5 V3 -","- C94 H178 N6 O27 V6 -","2","1","","Wang, Yu; Lin, Xinjun; Huang, Bo; Chen, Weizhou; Xiao, Zicheng; Wu, Pingfan","The crystal packing, morphology and hydrophobicity of polyoxometalate-based amphiphilic materials","CrystEngComm","2020","","","","","10.1039/D0CE00129E","","x-ray","0.71073","MoKα","","0.0768","0.0511","","","0.09","0.0995","","","","","","1.036","","","","has coordinates,has disorder","249394","2020-10-21","18:00:00",""
"7240130","21.392","0.0012","10.9779","0.0007","19.1098","0.0011","90","","105.252","0.002","90","","4329.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H132 N6 O23 V6 -","- C74 H132 N6 O23 V6 -","- C148 H264 N12 O46 V12 -","2","0.5","","Wang, Yu; Lin, Xinjun; Huang, Bo; Chen, Weizhou; Xiao, Zicheng; Wu, Pingfan","The crystal packing, morphology and hydrophobicity of polyoxometalate-based amphiphilic materials","CrystEngComm","2020","","","","","10.1039/D0CE00129E","","","0.71073","MoKα","","0.2423","0.1347","","","0.2015","0.2445","","","","","","1.113","","","","has coordinates","249394","2020-10-21","18:00:00",""
"7240131","13.709","0.002","13.919","0.002","19.53","0.003","97.532","0.002","93.12","0.003","99.117","0.002","3637","0.9","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C124 H220 N8 O46 V12 -","- C124 H220 N8 O46 V12 -","- C124 H220 N8 O46 V12 -","1","0.5","","Wang, Yu; Lin, Xinjun; Huang, Bo; Chen, Weizhou; Xiao, Zicheng; Wu, Pingfan","The crystal packing, morphology and hydrophobicity of polyoxometalate-based amphiphilic materials","CrystEngComm","2020","","","","","10.1039/D0CE00129E","","","0.71073","MoKα","","0.1008","0.0627","","","0.1589","0.1881","","","","","","1.001","","","","has coordinates,has disorder","249394","2020-10-21","18:00:00",""
"7240132","15.3693","0.0012","15.3693","0.0012","10.1723","0.0008","90","","90","","90","","2402.9","0.3","173","2","173","2","","","","","","","","5","P 4/m","-P 4","83","","","","- C32 H40 B12 Cu N4 -","- C32.008 H30.008 B12 Cu N4 -","- C32.008 H30.008 B12 Cu N4 -","1","0.125","","Zhang, Yuanbin; Wang, Lingyao; Hu, Jianbo; Duttwyler, Simon; Cui, Xili; Xing, Huabin","Solvent dependant supramolecular self-assembly of boron cage pillared metal-organic frameworks for selective gas separation","CrystEngComm","2020","","","","","10.1039/D0CE00142B","","","0.71073","MoKα","","0.0529","0.0492","","","0.1479","0.1535","","","","","","1.102","","","","has coordinates,has disorder","249423","2020-10-21","18:00:00",""
"7240133","18.1416","0.0015","18.1416","0.0015","9.9851","0.0007","90","","90","","90","","3286.3","0.4","173","2","173","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C20 H16 B12 Cu N8 -","- C20 H16 B12 Cu N8 -","- C40 H32 B24 Cu2 N16 -","2","0.25","","Zhang, Yuanbin; Wang, Lingyao; Hu, Jianbo; Duttwyler, Simon; Cui, Xili; Xing, Huabin","Solvent dependant supramolecular self-assembly of boron cage pillared metal-organic frameworks for selective gas separation","CrystEngComm","2020","","","","","10.1039/D0CE00142B","","","0.71073","MoKα","","0.0971","0.0734","","","0.1931","0.2107","","","","","","0.983","","","","has coordinates,has disorder","249423","2020-10-21","18:00:00",""
"7240134","28.36","0.003","16.0571","0.0015","20.1217","0.0019","90","","134.052","0.004","90","","6585.5","1.2","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 B12 Cu N8 -","- C20 H28 B12 Cu N8 -","- C160 H224 B96 Cu8 N64 -","8","1","","Zhang, Yuanbin; Wang, Lingyao; Hu, Jianbo; Duttwyler, Simon; Cui, Xili; Xing, Huabin","Solvent dependant supramolecular self-assembly of boron cage pillared metal-organic frameworks for selective gas separation","CrystEngComm","2020","","","","","10.1039/D0CE00142B","","","1.34139","GaKα","","0.15","0.1116","","","0.291","0.3138","","","","","","1.078","","","","has coordinates","249423","2020-10-21","18:00:00",""
"7240135","13.6129","0.0006","13.6129","0.0006","10.061","0.0006","90","","90","","90","","1864.41","0.16","253","2","253","2","","","","","","","","5","P 4/m","-P 4","83","","","","- C6 H7 B3 Cu0.25 N -","- C6 H7 B3 Cu0.25 N -","- C24 H28 B12 Cu N4 -","4","0.5","","Zhang, Yuanbin; Wang, Lingyao; Hu, Jianbo; Duttwyler, Simon; Cui, Xili; Xing, Huabin","Solvent dependant supramolecular self-assembly of boron cage pillared metal-organic frameworks for selective gas separation","CrystEngComm","2020","","","","","10.1039/D0CE00142B","","","1.34139","GaKα","","0.0477","0.0467","","","0.1596","0.1607","","","","","","1.013","","","","has coordinates,has disorder","249423","2020-10-21","18:00:00",""
"7240136","15.6766","0.001","15.6766","0.001","20.1231","0.0016","90","","90","","90","","4945.4","0.6","193","2","193","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C20 H28 B12 Cu N4 -","- C20 H28.0008 B12.0008 Cu N4 -","- C80 H112.003 B48.0032 Cu4 N16 -","4","0.125","","Zhang, Yuanbin; Wang, Lingyao; Hu, Jianbo; Duttwyler, Simon; Cui, Xili; Xing, Huabin","Solvent dependant supramolecular self-assembly of boron cage pillared metal-organic frameworks for selective gas separation","CrystEngComm","2020","","","","","10.1039/D0CE00142B","","","1.34139","GaKα","","0.0603","0.0492","","","0.1513","0.1597","","","","","","0.988","","","","has coordinates,has disorder","249423","2020-10-21","18:00:00",""
"7240137","10.3833","0.0006","6.9029","0.0004","20.2517","0.0012","90","","91.255","0.003","90","","1451.19","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-Naphthalene acetic acid + 2-aminopyrimidine","1-Naphthalene acetic acid + 2-aminopyrimidine","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","","GARG, UTSAV; Azim , Yasser; Kar, Aranya; Pradeep, Chullikkattil P.","Cocrystals/salt of 1-naphthalene acetic acid and utilizing Hirshfeld surface calculations for acid-aminopyrimidine synthon","CrystEngComm","2020","","","","","10.1039/D0CE00106F","","","1.54178","CuKα","","0.128","0.082","","","0.1882","0.2078","","","","","","1.192","","","","has coordinates","249424","2020-10-21","18:00:00",""
"7240138","11.7424","0.0009","11.8549","0.0008","12.719","0.0007","104.86","0.005","93.046","0.006","112.269","0.007","1561.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1-Naphthalene acetic acid + 2,4,6-triaminopyrimidine","1-Naphthalene acetic acid + 2,4,6-triaminopyrimidine","","- C16 H17 N5 O2 -","- C16 H17 N5 O2 -","- C64 H68 N20 O8 -","4","2","","GARG, UTSAV; Azim , Yasser; Kar, Aranya; Pradeep, Chullikkattil P.","Cocrystals/salt of 1-naphthalene acetic acid and utilizing Hirshfeld surface calculations for acid-aminopyrimidine synthon","CrystEngComm","2020","","","","","10.1039/D0CE00106F","","","1.54184","CuKα","","0.0907","0.0606","","","0.1636","0.1849","","","","","","1.049","","","","has coordinates","249424","2020-10-21","18:00:00",""
"7240139","7.4504","0.0003","12.4728","0.0005","28.0306","0.001","90","","95.076","0.004","90","","2594.59","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-Naphthalene acetic acid + 2-amino-4,6-dimethylpyrimidine","1-Naphthalene acetic acid + 2-amino-4,6-dimethylpyrimidine","","- C30 H29 N3 O4 -","- C30 H29 N3 O4 -","- C120 H116 N12 O16 -","4","1","","GARG, UTSAV; Azim , Yasser; Kar, Aranya; Pradeep, Chullikkattil P.","Cocrystals/salt of 1-naphthalene acetic acid and utilizing Hirshfeld surface calculations for acid-aminopyrimidine synthon","CrystEngComm","2020","","","","","10.1039/D0CE00106F","","","1.54184","CuKα","","0.0791","0.0551","","","0.1544","0.1681","","","","","","1.061","","","","has coordinates","249424","2020-10-21","18:00:00",""
"7240140","10.3833","0.0006","6.9029","0.0004","20.2517","0.0012","90","","91.255","0.003","90","","1451.19","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-Naphthalene acetic acid + 2-aminopyrimidine","1-Naphthalene acetic acid + 2-aminopyrimidine","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","","Hong, Yuexian; Yufit, Dimitrii S.; Letzelter, Nathalie; Steed, Jonathan W.","Calcium Cyclic Carboxylates as Structural Models for Calcium Carbonate Scale Inhibitors","CrystEngComm","2020","","","","","10.1039/D0CE00243G","","","1.54178","CuKα","","0.128","0.082","","","0.1882","0.2078","","","","","","1.192","","","","has coordinates","249425","2020-10-21","18:00:00",""
"7240141","11.7424","0.0009","11.8549","0.0008","12.719","0.0007","104.86","0.005","93.046","0.006","112.269","0.007","1561.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1-Naphthalene acetic acid + 2,4,6-triaminopyrimidine","1-Naphthalene acetic acid + 2,4,6-triaminopyrimidine","","- C16 H17 N5 O2 -","- C16 H17 N5 O2 -","- C64 H68 N20 O8 -","4","2","","Hong, Yuexian; Yufit, Dimitrii S.; Letzelter, Nathalie; Steed, Jonathan W.","Calcium Cyclic Carboxylates as Structural Models for Calcium Carbonate Scale Inhibitors","CrystEngComm","2020","","","","","10.1039/D0CE00243G","","","1.54184","CuKα","","0.0907","0.0606","","","0.1636","0.1849","","","","","","1.049","","","","has coordinates","249425","2020-10-21","18:00:00",""
"7240142","7.4504","0.0003","12.4728","0.0005","28.0306","0.001","90","","95.076","0.004","90","","2594.59","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-Naphthalene acetic acid + 2-amino-4,6-dimethylpyrimidine","1-Naphthalene acetic acid + 2-amino-4,6-dimethylpyrimidine","","- C30 H29 N3 O4 -","- C30 H29 N3 O4 -","- C120 H116 N12 O16 -","4","1","","Hong, Yuexian; Yufit, Dimitrii S.; Letzelter, Nathalie; Steed, Jonathan W.","Calcium Cyclic Carboxylates as Structural Models for Calcium Carbonate Scale Inhibitors","CrystEngComm","2020","","","","","10.1039/D0CE00243G","","","1.54184","CuKα","","0.0791","0.0551","","","0.1544","0.1681","","","","","","1.061","","","","has coordinates","249425","2020-10-21","18:00:00",""
"7240143","32.758","0.005","6.9308","0.001","15.972","0.002","90","","113.128","0.005","90","","3334.8","0.8","296","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Co2 Mo2 N12 O13 -","- C28 H26 Co2 Mo2 N12 O13 -","- C112 H104 Co8 Mo8 N48 O52 -","4","0.5","","Wang, Xiuli; Pan, Xiang; Wang, Xiang; Li, Yan; Liu, Guocheng","Two rare {M2(MoO4)2}n chain-containing molybdate-based metal‒organic complexes with a bis-pyrazole-bis-amide ligand: fluorescent sensing and photocatalysis performance","RSC Advances","2020","10","19","11046","11053","10.1039/D0RA01420F","","","0.71073","MoKα","","0.0812","0.0466","","","0.1033","0.1166","","","","","","1.007","","","","has coordinates","258057","2020-10-21","18:00:00",""
"7240144","32.805","0.004","7.002","0.0008","15.9094","0.0019","90","","112.537","0.004","90","","3375.3","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Mo2 N12 O13 P0 Zn2 -","- C28 H24 Mo2 N12 O13 Zn2 -","- C112 H96 Mo8 N48 O52 Zn8 -","4","0.5","","Wang, Xiuli; Pan, Xiang; Wang, Xiang; Li, Yan; Liu, Guocheng","Two rare {M2(MoO4)2}n chain-containing molybdate-based metal‒organic complexes with a bis-pyrazole-bis-amide ligand: fluorescent sensing and photocatalysis performance","RSC Advances","2020","10","19","11046","11053","10.1039/D0RA01420F","","","0.71073","MoKα","","0.0754","0.0383","","","0.0728","0.0846","","","","","","0.943","","","","has coordinates","258057","2020-10-21","18:00:00",""
"7240145","18.753","0.002","17.8461","0.0013","15.4856","0.0015","90","","115.938","0.013","90","","4660.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H76 Cu2 Fe N14 O10 -","- C26 H76 Cu2 Fe N14 O10 -","- C104 H304 Cu8 Fe4 N56 O40 -","4","0.5","","Hao, Xiaoyun; Shi, Jingwen; Dou, Yong; Cao, Tong; Zhou, Zhen; Yang, Lu; Li, Dacheng; Liu, Qingyun; Jiang, Jianzhuang; Zhang, Daopeng","Heterobimetallic complexes from 0D cluster to 3D network based-on various polycyanometallates and [Cu(dmpn)2]2+(dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00235F","","","0.71073","MoKα","","0.1008","0.0739","","","0.2057","0.2333","","","","","","1.051","","","","has coordinates","249597","2020-10-21","18:00:00",""
"7240146","11.7106","0.0014","14.7097","0.0015","16.8351","0.0019","101.737","0.009","110.012","0.011","104.303","0.01","2504.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H47.5 Cu Fe N12.5 O3 -","- C33.5 H47 Cu Fe N12.5 O3 -","- C67 H94 Cu2 Fe2 N25 O6 -","2","1","","Hao, Xiaoyun; Shi, Jingwen; Dou, Yong; Cao, Tong; Zhou, Zhen; Yang, Lu; Li, Dacheng; Liu, Qingyun; Jiang, Jianzhuang; Zhang, Daopeng","Heterobimetallic complexes from 0D cluster to 3D network based-on various polycyanometallates and [Cu(dmpn)2]2+(dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00235F","","","0.71073","MoKα","","0.1334","0.0857","","","0.2593","0.3082","","","","","","0.959","","","","has coordinates","249597","2020-10-21","18:00:00",""
"7240147","9.4783","0.0013","16.388","0.003","16.592","0.002","111.53","0.014","101.926","0.012","106.101","0.013","2161.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H63 Cu2 Mo N17 O2 -","- C30 H63 Cu2 Mo N17 O2 -","- C60 H126 Cu4 Mo2 N34 O4 -","2","1","","Hao, Xiaoyun; Shi, Jingwen; Dou, Yong; Cao, Tong; Zhou, Zhen; Yang, Lu; Li, Dacheng; Liu, Qingyun; Jiang, Jianzhuang; Zhang, Daopeng","Heterobimetallic complexes from 0D cluster to 3D network based-on various polycyanometallates and [Cu(dmpn)2]2+(dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00235F","","","0.71073","MoKα","","0.0667","0.047","","","0.0987","0.1089","","","","","","1.025","","","","has coordinates,has disorder","249597","2020-10-21","18:00:00",""
"7240148","9.1335","0.0014","13.1615","0.0008","16.0651","0.0019","109.386","0.008","99.006","0.011","98.3","0.009","1758.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H48 Cr Cu1.5 N12 O4 -","- C20 H48 Cr Cu1.5 N12 O4 -","- C40 H96 Cr2 Cu3 N24 O8 -","2","1","","Hao, Xiaoyun; Shi, Jingwen; Dou, Yong; Cao, Tong; Zhou, Zhen; Yang, Lu; Li, Dacheng; Liu, Qingyun; Jiang, Jianzhuang; Zhang, Daopeng","Heterobimetallic complexes from 0D cluster to 3D network based-on various polycyanometallates and [Cu(dmpn)2]2+(dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00235F","","","0.71073","MoKα","","0.0954","0.0743","","","0.2146","0.239","","","","","","1.058","","","","has coordinates","249597","2020-10-21","18:00:00",""
"7240149","9.4179","0.0004","16.2543","0.0009","16.2716","0.0008","110.907","0.005","101.897","0.004","106.357","0.004","2098","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H63 Cu2 N17 O2 W -","- C30 H63 Cu2 N17 O2 W -","- C60 H126 Cu4 N34 O4 W2 -","2","1","","Hao, Xiaoyun; Shi, Jingwen; Dou, Yong; Cao, Tong; Zhou, Zhen; Yang, Lu; Li, Dacheng; Liu, Qingyun; Jiang, Jianzhuang; Zhang, Daopeng","Heterobimetallic complexes from 0D cluster to 3D network based-on various polycyanometallates and [Cu(dmpn)2]2+(dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00235F","","","1.54178","CuKα","","0.0356","0.0333","","","0.0867","0.0891","","","","","","1.055","","","","has coordinates,has disorder","249597","2020-10-21","18:00:00",""
"7240150","12.6416","0.001","14.7984","0.0014","38.007","0.003","90","","90.598","0.006","90","","7109.8","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H84 Cl2 Cu2 Fe2 N20 O14 -","- C60 H84 Cl2 Cu2 Fe2 N20 O14 -","- C240 H336 Cl8 Cu8 Fe8 N80 O56 -","4","1","","Hao, Xiaoyun; Shi, Jingwen; Dou, Yong; Cao, Tong; Zhou, Zhen; Yang, Lu; Li, Dacheng; Liu, Qingyun; Jiang, Jianzhuang; Zhang, Daopeng","Heterobimetallic complexes from 0D cluster to 3D network based-on various polycyanometallates and [Cu(dmpn)2]2+(dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00235F","","","0.71073","MoKα","","0.1574","0.0918","","","0.2141","0.267","","","","","","1.03","","","","has coordinates","249597","2020-10-21","18:00:00",""
"7240151","7.02521","0.00013","19.6681","0.0004","12.9331","0.0002","90","","90.7338","0.0007","90","","1786.85","0.06","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Ciprofloxacin Hydrochloride 1.43 Hydrate","Ciprofloxacin Hydrochloride 1.43 Hydrate","","- C17 H21.86 Cl F N3 O4.43 -","- C17 H21.86 Cl F N3 O4.43 -","- C68 H87.44 Cl4 F4 N12 O17.72 -","4","1","","Putra, Okky Dwichandra; Pettersen, Anna; Yonemochi, Etsuo; Uekusa, Hidehiro","Structural Origin of Physicochemical Properties Differences upon Dehydration and Polymorphic Transformation of Ciprofloxacin Hydrochloride Revealed by Structure Determination from Powder X-ray Diffraction Data","CrystEngComm","2020","","","","","10.1039/D0CE00261E","","","1.54186","CuKα","","0.0413","0.0388","","","0.104","0.1068","","","","","","1.09","","","","has coordinates","249598","2020-10-21","18:00:00",""
"7240152","12.4523","0.0002","6.91819","0.00013","19.4137","0.0004","90","","101.294","0.0009","90","","1640.05","0.05","173","2","173","2","","","101.3","","","","","6","P 1 21/c 1","-P 2ybc","14","Ciprofloxacin Hydrochloride Anhydrous Form II","Ciprofloxacin Hydrochloride Anhydrous Form II","","- C17 H19 Cl F N3 O3 -","- C17 H19 Cl F N3 O3 -","- C68 H76 Cl4 F4 N12 O12 -","4","1","","Putra, Okky Dwichandra; Pettersen, Anna; Yonemochi, Etsuo; Uekusa, Hidehiro","Structural Origin of Physicochemical Properties Differences upon Dehydration and Polymorphic Transformation of Ciprofloxacin Hydrochloride Revealed by Structure Determination from Powder X-ray Diffraction Data","CrystEngComm","2020","","","","","10.1039/D0CE00261E","","x-ray","1.54186","CuKα","","0.0624","0.0497","","","0.1284","0.1396","","","","","","1.141","","","","has coordinates","249598","2020-10-21","18:00:00",""
"7240153","18.1041","0.0006","7.3009","0.00017","26.2525","0.001","90","","90","","90","","3469.96","0.19","298","","298","","","","101.3","","","","","6","P b c a","-P 2ac 2ab","61","Ciprfloxacin Hydrochloride Anhydrous Form I","Ciprfloxacin Hydrochloride Anhydrous Form I","","- C17 H19 Cl F N3 O3 -","- C17 H19 Cl F N3 O3 -","- C136 H152 Cl8 F8 N24 O24 -","8","1","","Putra, Okky Dwichandra; Pettersen, Anna; Yonemochi, Etsuo; Uekusa, Hidehiro","Structural Origin of Physicochemical Properties Differences upon Dehydration and Polymorphic Transformation of Ciprofloxacin Hydrochloride Revealed by Structure Determination from Powder X-ray Diffraction Data","CrystEngComm","2020","","","","","10.1039/D0CE00261E","powder diffraction","x-ray","1.19621","synchrotron","","","","","","","","0.08626","","1.74","","","","","","","has coordinates","249598","2020-10-21","18:00:00",""
"7240154","13.96","0.02","14.47","0.02","21.07","0.03","86.75","0.017","80.221","0.016","88.827","0.016","4187","10","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H124 Cr4 Gd8 N18 O71 -","- C108 H118 Cr4 Gd8 N18 O71 -","- C108 H118 Cr4 Gd8 N18 O71 -","1","0.5","","Han, Ye-Min; Li, Ning-Fang; Yu, Yan-Zhao; Cao, Jia-Peng; Yang, Mu-Xiu; Hong, Ya-Lin; Kang, Run-Kun; Yuan, Peng; Xu, Yan","Synthesis, crystal structures and magnetic properties of two heterometallic {Ln8Cr4} (Ln = Gd3+ and Tb3+) complexes with one-dimensional wave chain structure","RSC Advances","2020","10","19","11365","11370","10.1039/D0RA01524E","","","0.71073","MoKα","","0.0436","0.0346","","","0.0931","0.1007","","","","","","1.061","","","","has coordinates","258060","2020-10-21","18:00:00",""
"7240155","13.7114","0.0008","14.2047","0.0008","20.6032","0.0012","86.557","0.001","80.096","0.001","88.562","0.001","3945.4","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H124 Cr4 N18 O71 Tb8 -","- C108 H118 Cr4 N18 O71 Tb8 -","- C108 H118 Cr4 N18 O71 Tb8 -","1","0.5","","Han, Ye-Min; Li, Ning-Fang; Yu, Yan-Zhao; Cao, Jia-Peng; Yang, Mu-Xiu; Hong, Ya-Lin; Kang, Run-Kun; Yuan, Peng; Xu, Yan","Synthesis, crystal structures and magnetic properties of two heterometallic {Ln8Cr4} (Ln = Gd3+ and Tb3+) complexes with one-dimensional wave chain structure","RSC Advances","2020","10","19","11365","11370","10.1039/D0RA01524E","","","0.71073","MoKα","","0.0353","0.031","","","0.0871","0.0899","","","","","","1.1","","","","has coordinates","258060","2020-10-21","18:00:00",""
"7240156","21.778","0.005","15.214","0.003","19.916","0.005","90","","103.5","0.004","90","","6416","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 Co N6 O6 -","- C33 H24 Co N6 O6 -","- C264 H192 Co8 N48 O48 -","8","1","","Qiu, Ya-Ru; Li, Bang; Zhou, Yan; Su, Jian; Ge, Jing-Yuan","Pillar-template strategy switching the redox activity and magnetic properties of trisphenylamine-based coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00256A","","","0.71073","MoKα","","0.1025","0.0627","","","0.1835","0.2216","","","","","","1.069","","","","has coordinates,has disorder","249644","2020-10-21","18:00:00",""
"7240157","21.683","0.003","15.164","0.003","19.852","0.003","90","","102.807","0.004","90","","6365","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 N6 Ni O6 -","- C33 H24 N6 Ni O6 -","- C264 H192 N48 Ni8 O48 -","8","1","","Qiu, Ya-Ru; Li, Bang; Zhou, Yan; Su, Jian; Ge, Jing-Yuan","Pillar-template strategy switching the redox activity and magnetic properties of trisphenylamine-based coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00256A","","","0.71073","MoKα","","0.0727","0.0513","","","0.1501","0.1619","","","","","","1.014","","","","has coordinates,has disorder","249644","2020-10-21","18:00:00",""
"7240158","21.622","0.002","15.2587","0.0017","19.882","0.002","90","","104.271","0.002","90","","6357.1","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 N6 O6 Zn -","- C33 H24 N6 O6 Zn -","- C264 H192 N48 O48 Zn8 -","8","1","","Qiu, Ya-Ru; Li, Bang; Zhou, Yan; Su, Jian; Ge, Jing-Yuan","Pillar-template strategy switching the redox activity and magnetic properties of trisphenylamine-based coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00256A","","","0.71073","MoKα","","0.0923","0.0685","","","0.2126","0.2403","","","","","","0.833","","","","has coordinates,has disorder","249644","2020-10-21","18:00:00",""
"7240159","22.2681","0.0009","14.5955","0.0006","20.1069","0.0008","90","","101.719","0.002","90","","6398.8","0.5","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Cl Co N4 O3 -","- C38 H30 Cl Co N4 O3 -","- C304 H240 Cl8 Co8 N32 O24 -","8","1","","Qiu, Ya-Ru; Li, Bang; Zhou, Yan; Su, Jian; Ge, Jing-Yuan","Pillar-template strategy switching the redox activity and magnetic properties of trisphenylamine-based coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00256A","","","1.34139","GaKα","","0.0541","0.0438","","","0.1144","0.1216","","","","","","1.046","","","","has coordinates","249644","2020-10-21","18:00:00",""
"7240160","10.1043","0.0008","12.8257","0.0009","12.9176","0.0009","90","","104.397","0.008","90","","1621.5","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H26 Cl7 N O2 -","- C30 H26 Cl7 N O2 -","- C60 H52 Cl14 N2 O4 -","2","1","","Mandal, Susanta; Chhetri, Karan; Bhuyan, Samuzal; Roy, Biswajit G.","Efficient iron catalyzed ligand-free access to acridines and acridinium ions","Green Chemistry","2020","22","10","3178","3185","10.1039/D0GC00617C","","x-ray","0.71073","MoKα","","0.107","0.0895","","","0.2242","0.2535","","","","","","1.047","","","","has coordinates","257572","2020-10-21","18:00:00",""
"7240161","8.2718","0.0008","10.4182","0.0009","13.163","0.0011","113.112","0.008","93.907","0.007","91.575","0.008","1039.06","0.17","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 F N O2 -","- C27 H22 F N O2 -","- C54 H44 F2 N2 O4 -","2","1","","Mandal, Susanta; Chhetri, Karan; Bhuyan, Samuzal; Roy, Biswajit G.","Efficient iron catalyzed ligand-free access to acridines and acridinium ions","Green Chemistry","2020","22","10","3178","3185","10.1039/D0GC00617C","","","1.54184","CuKα","","0.1112","0.0926","","","0.2442","0.2934","","","","","","1.0727","","","","has coordinates","257572","2020-10-21","18:00:00",""
"7240162","11.29376","0.00013","7.62235","0.00009","6.81817","0.00008","90","","90","","90","","586.942","0.012","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","Ammine_Magnesium_Borohydride","","","- B2 H11 Mg N -","- B2 H11 Mg N -","- B8 H44 Mg4 N4 -","4","0.5","","Yan, Yigang; Dononelli, Wilke; Jørgensen, Mathias; Grinderslev, Jakob B.; Lee, Young-Su; Cho, Young Whan; Černý, Radovan; Hammer, Bjørk; Jensen, Torben R.","The mechanism of Mg<sup>2+</sup> conduction in ammine magnesium borohydride promoted by a neutral molecule.","Physical chemistry chemical physics : PCCP","2020","22","17","9204","9209","10.1039/d0cp00158a","powder diffraction","","","Synchrotron","","","","","","","","","5.4605","12.5","","","","","","","has coordinates","253994","2020-10-21","18:00:00",""
"7240163","7.9785","0.0003","12.9974","0.0005","15.954","0.0006","90","","90.022","0.004","90","","1654.43","0.11","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tris(2,4-pentanedionato-O,O')-vanadium(iii)","","- C15 H21 O6 V -","- C15 H21 O6 V -","- C60 H84 O24 V4 -","4","1","","Andersen, Anders B. A.; Pyykkönen, Ari; Jensen, Hans Jørgen Aa; McKee, Vickie; Vaara, Juha; Nielsen, Ulla Gro","Remarkable reversal of <sup>13</sup>C-NMR assignment in d<sup>1</sup>, d<sup>2</sup> compared to d<sup>8</sup>, d<sup>9</sup> acetylacetonate complexes: analysis and explanation based on solid-state MAS NMR and computations.","Physical chemistry chemical physics : PCCP","2020","22","15","8048","8059","10.1039/d0cp00980f","","x-ray","1.54184","CuKα","","0.0474","0.0465","","","0.1274","0.1291","","","","","","1.064","","","","has coordinates","251738","2020-10-21","18:00:00",""
"7240164","9.334","0.0002","9.334","0.0002","45.4665","0.0014","90","","90","","120","","3430.5","0.15","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- Gd12 Li33 O90 Rb3 Te18 -","- Gd12 Li33 O90 Rb3 Te18 -","- Gd24 Li66 O180 Rb6 Te36 -","2","0.0555556","","Zhu, Zhi-An; He, Yu-Cong; Lv, Yang-Yang; Feng, Jiang-He; Zhou, Jian","Synthesis, structure, and electronic properties of the Li11RbGd4Te6O30 single crystal","RSC Advances","2020","10","19","11450","11454","10.1039/C9RA10163B","","","0.71073","MoKα","","0.02","0.019","","","0.0452","0.0456","","","","","","1.2","","","","has coordinates","258059","2020-10-21","18:00:00",""
"7240165","10.4559","0.0001","9.2217","0.0001","14.0803","0.0002","90","","90","","90","","1357.64","0.03","400","","400","","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,2,3-trimethylimidazolium tetrachlorideferrate(III)","","- C6 H11 Cl4 Fe N2 -","- C6 H11 Cl4 Fe N2 -","- C24 H44 Cl16 Fe4 N8 -","4","0.5","","González-Izquierdo, Palmerina; Fabelo, Oscar; Beobide, Garikoitz; Cano, Israel; Ruiz de Larramendi, Idoia; Vallcorba, Oriol; Fernández, Jesús Rodríguez; Fernández-Díaz, María Teresa; de Pedro, Imanol","Crystal structure, magneto-structural correlation, thermal and electrical studies of an imidazolium halometallate molten salt: (trimim)[FeCl4]","RSC Advances","2020","10","19","11200","11209","10.1039/D0RA00245C","powder diffraction","","0.61872","Synchrotron","","","","","","","","","0.078","3.999","","","","","","","has coordinates,has disorder","258058","2020-10-21","18:00:00",""
"7240166","6.541","0.005","14.158","0.005","13.351","0.005","90","","95.59","0.005","90","","1230.5","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2,3-trimethylimidazolium tetrachlorideferrate(III)","","- C6 H11 Cl4 Fe N2 -","- C6 H11 Cl4 Fe N2 -","- C24 H44 Cl16 Fe4 N8 -","4","1","","González-Izquierdo, Palmerina; Fabelo, Oscar; Beobide, Garikoitz; Cano, Israel; Ruiz de Larramendi, Idoia; Vallcorba, Oriol; Fernández, Jesús Rodríguez; Fernández-Díaz, María Teresa; de Pedro, Imanol","Crystal structure, magneto-structural correlation, thermal and electrical studies of an imidazolium halometallate molten salt: (trimim)[FeCl4]","RSC Advances","2020","10","19","11200","11209","10.1039/D0RA00245C","","","0.71073","MoKα","","0.0658","0.0528","","","0.1365","0.1445","","","","","","1.158","","","","has coordinates","258058","2020-10-21","18:00:00",""
"7240167","6.6159","0.0002","14.2024","0.0003","13.5728","0.0003","90","","95.905","0.002","90","","1268.56","0.05","250","","250","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2,3-trimethylimidazolium tetrachlorideferrate(III)","","- C6 H11 Cl4 Fe N2 -","- C6 H11 Cl4 Fe N2 -","- C24 H44 Cl16 Fe4 N8 -","4","1","","González-Izquierdo, Palmerina; Fabelo, Oscar; Beobide, Garikoitz; Cano, Israel; Ruiz de Larramendi, Idoia; Vallcorba, Oriol; Fernández, Jesús Rodríguez; Fernández-Díaz, María Teresa; de Pedro, Imanol","Crystal structure, magneto-structural correlation, thermal and electrical studies of an imidazolium halometallate molten salt: (trimim)[FeCl4]","RSC Advances","2020","10","19","11200","11209","10.1039/D0RA00245C","powder diffraction","","0.61872","Synchrotron","","","","","","","","","0.079","2.771","","","","","","","has coordinates,has disorder","258058","2020-10-21","18:00:00",""
"7240168","8.5063","0.0001","25.6914","0.0004","24.6665","0.0003","90","","96.623","0.001","90","","5354.61","0.12","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H57 Br3 F18 N3 O3 P3 -","- C42 H57 Br3 F18 N3 O3 P3 -","- C168 H228 Br12 F72 N12 O12 P12 -","4","1","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","x-ray","1.54184","CuKα","","0.1054","0.0971","","","0.2696","0.2784","","","","","","1.053","","","","has coordinates,has disorder","249689","2020-10-21","18:00:00",""
"7240169","16.8999","0.0001","16.8999","0.0001","10.9253","0.0001","90","","90","","120","","2702.29","0.03","150","","150","","","","","","","","synthesized","5","P -3","-P 3","147","","","","- C44 H60 I6 N4 O3 -","- C44 H60 I6 N4 O3 -","- C88 H120 I12 N8 O6 -","2","0.333333","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","","1.54184","CuKα","","0.0565","0.0555","","0.1516","0.1507","0.1516","","","","","","1.1564","","","","has coordinates","249689","2020-10-21","18:00:00",""
"7240170","16.5773","0.0001","16.5773","0.0001","10.4913","0.0001","90","","90","","120","","2496.82","0.03","150","0.1","150","0.1","","","","","","","","5","P -3","-P 3","147","","","","- C44 H60 Br6 N4 O3 -","- C44 H59.9997 Br6 N4 O3 -","- C88 H119.999 Br12 N8 O6 -","2","0.333333","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","x-ray","1.54184","CuKα","","0.0431","0.0406","","","0.1358","0.139","","","","","","1.192","","","","has coordinates,has disorder","249689","2020-10-21","18:00:00",""
"7240171","16.639","0.002","16.639","0.002","10.57","0.002","90","","90","","120","","2534.3","0.6","100","","100","","","","","","","","","6","P -3","-P 3","147","","","","- C44 H60 Br3 I3 N4 O3 -","- C44 H60 Br3 I3 N4 O3 -","- C88 H120 Br6 I6 N8 O6 -","2","0.333333","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","","0.71073","Synchrotron","","0.0441","0.0427","","","0.1059","0.107","","","","","","1.0414","","","","has coordinates,has disorder","249689","2020-10-21","18:00:00",""
"7240172","8.544","0.0001","23.43","0.0002","27.3585","0.0003","90","","97.054","0.001","90","","5435.33","0.1","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H61 Cl F12 I3 N3 O4 P2 -","- C43 H61 Cl F12 I3 N3 O4 P2 -","- C172 H244 Cl4 F48 I12 N12 O16 P8 -","4","1","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","x-ray","1.54184","CuKα","","0.064","0.0598","","","0.1599","0.1649","","","","","","1.03","","","","has coordinates","249689","2020-10-21","18:00:00",""
"7240173","24.671","0.005","8.876","0.0018","23.946","0.005","90","","101.26","0.03","90","","5142.8","1.9","100","","100","","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C42 H57 Br1.5 F9 I3 N3 O3 P1.5 -","- C42 H57 Br1.5 F9 I3 N3 O3 P1.5 -","- C168 H228 Br6 F36 I12 N12 O12 P6 -","4","1","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","","0.71073","Synchrotron","","0.1829","0.0812","","","0.2165","0.2833","","","","","","1.0269","","","","has coordinates","249689","2020-10-21","18:00:00",""
"7240174","14.104","0.005","25.266","0.009","14.735","0.004","90","","115.28","0.019","90","","4748","3","100","","100","","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H61 Br3 Cl3 N3 O5 -","- C42 H61 Br3 Cl3 N3 O5 -","- C168 H244 Br12 Cl12 N12 O20 -","4","1","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","","0.71073","Synchrotron","","0.2214","0.126","","0.2648","0.2148","0.2513","","","","","","1.021","","","","has coordinates,has disorder","249689","2020-10-21","18:00:00",""
"7240175","14.822","0.003","20.352","0.004","17.306","0.004","90","","112.82","0.03","90","","4812","2","100","","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H57 Br3 I3 N3 O3 -","- C42 H57 Br3 I3 N3 O3 -","- C168 H228 Br12 I12 N12 O12 -","4","1","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","","0.71073","MoKα","","0.0595","0.0513","","","0.1392","0.1451","","","","","","1.0291","","","","has coordinates","249689","2020-10-21","18:00:00",""
"7240176","12.04747","0.00016","12.04747","0.00016","12.04747","0.00016","90","","90","","90","","1748.59","0.04","298","2","298","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H9.5001 Fe N0.75 O6.25005 -","- C36 H76.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.05","0.0373","","","0.1001","0.1066","","","","","","1.104","","","","has coordinates,has disorder","249690","2020-10-21","18:00:00",""
"7240177","12.0219","0.0008","12.0219","0.0008","12.0219","0.0008","90","","90","","90","","1737.5","0.2","240","0.4","240","0.4","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0429","0.0361","","","0.0895","0.0961","","","","","","1.078","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240178","11.9923","0.0003","11.9923","0.0003","11.9923","0.0003","90","","90","","90","","1724.68","0.07","80","0.9","80","0.9","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0499","0.0437","","","0.1029","0.1051","","","","","","1.234","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240179","12.0296","0.0007","12.0296","0.0007","12.0296","0.0007","90","","90","","90","","1740.82","0.18","260","0.6","260","0.6","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.046","0.0382","","","0.0953","0.104","","","","","","1.161","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240180","12.0082","0.0007","12.0082","0.0007","12.0082","0.0007","90","","90","","90","","1731.54","0.17","180","0.3","180","0.3","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0413","0.0348","","","0.0849","0.0883","","","","","","1.215","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240181","12.0051","0.0006","12.0051","0.0006","12.0051","0.0006","90","","90","","90","","1730.2","0.15","160","0.3","160","0.3","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0432","0.0368","","","0.092","0.0977","","","","","","1.238","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240182","12.035","0.0006","12.035","0.0006","12.035","0.0006","90","","90","","90","","1743.16","0.15","300","0.7","300","0.7","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0744","0.0567","","","0.1784","0.2185","","","","","","1.177","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240183","12.0077","0.0003","12.0077","0.0003","12.0077","0.0003","90","","90","","90","","1731.33","0.07","200","0.4","200","0.4","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0358","0.0335","","","0.0844","0.0855","","","","","","1.205","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240184","11.9986","0.0007","11.9986","0.0007","11.9986","0.0007","90","","90","","90","","1727.4","0.17","120","0.3","120","0.3","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0441","0.0366","","","0.086","0.0917","","","","","","1.231","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240185","12.0121","0.0009","12.0121","0.0009","12.0121","0.0009","90","","90","","90","","1733.2","0.2","220","0.4","220","0.4","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0416","0.0358","","","0.0891","0.0933","","","","","","1.106","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240186","12.0016","0.0007","12.0016","0.0007","12.0016","0.0007","90","","90","","90","","1728.69","0.17","140","0.3","140","0.3","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0422","0.0367","","","0.086","0.0893","","","","","","1.183","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240187","15.016","0.0017","15.963","0.0014","16.766","0.0016","62.226","0.003","67.513","0.003","79.132","0.004","3285.2","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H81 N4 O16 S4 Tb -","- C60 H81 N4 O16 S4 Tb -","- C120 H162 N8 O32 S8 Tb2 -","2","1","","Ovsyannikov, A. S.; Khariushin, I. V.; Solovieva, S. E.; Antipin, I. S.; Komiya, H.; Marets, N.; Tanaka, H.; Ohmagari, H.; Hasegawa, M.; Zakrzewski, J. J.; Chorazy, S.; Kyritsakas, N.; Hosseini, M. W.; Ferlay, S.","Mixed Tb/Dy coordination ladders based on tetra(carboxymethyl)thiacalix[4]arene: a new avenue towards luminescent molecular nanomagnets","RSC Advances","2020","10","20","11755","11765","10.1039/D0RA01263G","","","0.71073","MoKα","","0.0708","0.0494","","","0.1073","0.1186","","","","","","1.011","","","","has coordinates,has disorder","258074","2020-10-21","18:00:00",""
"7240188","15.0091","0.0017","15.9798","0.0018","16.7401","0.0018","62.217","0.005","67.626","0.005","79.181","0.006","3284.5","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H81 Dy N4 O16 S4 -","- C60 H81 Dy N4 O16 S4 -","- C120 H162 Dy2 N8 O32 S8 -","2","1","","Ovsyannikov, A. S.; Khariushin, I. V.; Solovieva, S. E.; Antipin, I. S.; Komiya, H.; Marets, N.; Tanaka, H.; Ohmagari, H.; Hasegawa, M.; Zakrzewski, J. J.; Chorazy, S.; Kyritsakas, N.; Hosseini, M. W.; Ferlay, S.","Mixed Tb/Dy coordination ladders based on tetra(carboxymethyl)thiacalix[4]arene: a new avenue towards luminescent molecular nanomagnets","RSC Advances","2020","10","20","11755","11765","10.1039/D0RA01263G","","","0.71073","MoKα","","0.0756","0.0557","","","0.1391","0.1559","","","","","","1.057","","","","has coordinates,has disorder","258074","2020-10-21","18:00:00",""
"7240189","9.9101","0.0006","11.7555","0.0005","15.8011","0.0005","73.569","0.003","88.693","0.004","65.351","0.005","1595.15","0.15","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H64 Dy2 N6 O16 S2 -","- C62 H64 Dy2 N6 O16 S2 -","- C62 H64 Dy2 N6 O16 S2 -","1","0.5","","Yu, Shui; Zhang, Qinhua; Hu, Huancheng; Chen, Zilu; Liu, Dongcheng; Liang, Yuning; Liang, Fupei","Tuning slow magnetic relaxation behaviour in a {Dy2}-based one-dimensional chain via crystal field perturbation","RSC Advances","2020","10","20","11831","11835","10.1039/D0RA01604G","","x-ray","0.71073","MoKα","","0.051","0.0459","","","0.1351","0.1419","","","","","","1.066","","","","has coordinates","258075","2020-10-21","18:00:00",""
"7240190","9.9272","0.0002","11.8458","0.0004","15.0341","0.0004","83.259","0.003","82.471","0.002","76.012","0.002","1693.96","0.08","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H68 Dy2 N4 O20 -","- C64 H68 Dy2 N4 O20 -","- C64 H68 Dy2 N4 O20 -","1","0.5","","Yu, Shui; Zhang, Qinhua; Hu, Huancheng; Chen, Zilu; Liu, Dongcheng; Liang, Yuning; Liang, Fupei","Tuning slow magnetic relaxation behaviour in a {Dy2}-based one-dimensional chain via crystal field perturbation","RSC Advances","2020","10","20","11831","11835","10.1039/D0RA01604G","","x-ray","0.71073","MoKα","","0.0369","0.0356","","","0.1048","0.1068","","","","","","1.105","","","","has coordinates","258075","2020-10-21","18:00:00",""
"7240191","9.4436","0.0006","9.3899","0.0006","11.6167","0.0008","90","","91.155","0.006","90","","1029.9","0.12","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H26 N2 O8 -","- C18 H26 N2 O8 -","- C36 H52 N4 O16 -","2","1","","Wang, Hao; Tian, Di; Meng, Zhaoxiang; Chen, Zhihao; Xue, Fei; Liu, Xiao-Yu; Song, Hao; Qin, Yong","Synthetic progress toward the marine natural product zamamiphidin A","RSC Advances","2020","10","20","11903","11906","10.1039/D0RA01580F","","x-ray","0.71073","MoKα","","0.0699","0.0479","","","0.0951","0.1109","","","","","","1.066","","","","has coordinates,has disorder","258077","2020-10-21","18:00:00",""
"7240192","11.592","0.014","8.138","0.01","11.045","0.014","90","","114.12","0.02","90","","951","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 F N6 O6 -","- C4 H5 F N6 O6 -","- C16 H20 F4 N24 O24 -","4","1","","Huo, Huan; Zhang, Junlin; Dong, Jun; Zhai, Lianjie; Guo, Tao; Wang, Zijun; Bi, Fuqiang; Wang, Bozhou","A promising insensitive energetic material based on a fluorodinitromethyl explosophore group and 1,2,3,4-tetrahydro-1,3,5-triazine: synthesis, crystal structure and performance","RSC Advances","2020","10","20","11816","11822","10.1039/D0RA00474J","","","0.71073","MoKα","","0.1924","0.0751","","","0.1752","0.2415","","","","","","0.949","","","","has coordinates","258078","2020-10-21","18:00:00",""
"7240193","5.7544","0.0009","5.7537","0.0005","12.7881","0.0011","90","","89.93","0.03","90","","423.4","0.08","298.15","","298.15","","","","","","","","mechanochemical synthesis","5","C 1 2 1","C 2y","5","'strontium fluorine acetate","","strontium fluorine acetate","- C4 H6 F O4 Sr2 -","- C4 H6 F O4 Sr2 -","- C8 H12 F2 O8 Sr4 -","2","0.5","","Zänker, Steffen; Scholz, Gudrun; Heise, Macel; Emmerling, Franziska; Kemnitz, Erhard","New 2D networks with direct fluorine-metal bonds: MF(CH3COO) (M: Sr, Ba, Pb)","CrystEngComm","2020","","","","","10.1039/D0CE00287A","powder diffraction","x-ray","1.5406","CuKα1Kα2","","","","","","","","","1.656","12.562","","","","","","","has coordinates","249717","2020-10-21","18:00:00",""
"7240194","12.757","0.002","4.129","0.0008","4.1284","0.0009","90","","90.058","0.016","90","","217.46","0.07","303","","303","","","","","","","","mechanochemical synthesis","5","P 1 21 1","P 2yb","4","lead fluorine acetate","","lead fluorine acetate","- C2 H3 F O2 Pb -","- C2 H3 F O2 Pb -","- C4 H6 F2 O4 Pb2 -","2","1","","Zänker, Steffen; Scholz, Gudrun; Heise, Macel; Emmerling, Franziska; Kemnitz, Erhard","New 2D networks with direct fluorine-metal bonds: MF(CH3COO) (M: Sr, Ba, Pb)","CrystEngComm","2020","","","","","10.1039/D0CE00287A","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","","2.6","3.35","","","","","","","has coordinates","249717","2020-10-21","18:00:00",""
"7240195","6.0948","0.0003","6.0953","0.0003","12.937","0.0006","90","","89.996","0.003","90","","480.6","0.04","298","","298","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C4 H6 Ba2 F O4 -","- C4 H6 Ba2 F O4 -","- C8 H12 Ba4 F2 O8 -","2","0.5","","Zänker, Steffen; Scholz, Gudrun; Heise, Macel; Emmerling, Franziska; Kemnitz, Erhard","New 2D networks with direct fluorine-metal bonds: MF(CH3COO) (M: Sr, Ba, Pb)","CrystEngComm","2020","","","","","10.1039/D0CE00287A","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","","0.0414","3.68277","","","","","","","has coordinates","249717","2020-10-21","18:00:00",""
"7240196","5.7523","0.0002","19.3159","0.0007","8.7036","0.0004","90","","97.524","0.004","90","","958.74","0.07","298","1","298","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C48 H44 O8 -","2","0.5","","Nowok, Andrzej; Kus, Piotr; Dulski, Mateusz; Kusz, Joachim; Ksiazek, Maria; Zubko, Maciej; Szeremeta, Anna; Pawlus, Sebastian","Role of intermolecular interactions and conformational changes in polymorphism and vitrification process of 2,2''-bis-substituted para-terphenyls","CrystEngComm","2020","","","","","10.1039/D0CE00351D","","","0.71073","MoKα","","0.0482","0.0413","","","0.1086","0.1144","","","","","","1.039","","","","has coordinates","249718","2020-10-21","18:00:00",""
"7240197","11.9012","0.0007","17.1124","0.0008","7.6347","0.0003","90","","93.574","0.003","90","","1551.84","0.13","298","1","298","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Nowok, Andrzej; Kus, Piotr; Dulski, Mateusz; Kusz, Joachim; Ksiazek, Maria; Zubko, Maciej; Szeremeta, Anna; Pawlus, Sebastian","Role of intermolecular interactions and conformational changes in polymorphism and vitrification process of 2,2''-bis-substituted para-terphenyls","CrystEngComm","2020","","","","","10.1039/D0CE00351D","","","0.71073","MoKα","","0.0699","0.0523","","","0.1295","0.1387","","","","","","1.066","","","","has coordinates","249718","2020-10-21","18:00:00",""
"7240198","12.26148","0.0001","12.26148","0.0001","12.26148","0.0001","90","","90","","90","","1843.44","0.03","293","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Al2.3 Ga2.7 Gd3 O12 -","- Al2.301 Ga2.699 Gd3 O12 -","- Al18.408 Ga21.592 Gd24 O96 -","8","0.0833333","","Spassky, Dmitry; Kozlova, Nina; Zabelina, Evgeniia; Kasimova, Valentina; Krutyak, Nataliya; Ukhanova, Alisa; Morozov, Vladimir A.; Morozov, Anatolii V.; Buzanov, Oleg; Chernenko, Kirill; Omelkov, Sergey; Nagirnyi, Vitali","Influence of the Sc cation substituent on the structural properties and energy transfer processes in GAGG:Ce crystals","CrystEngComm","2020","","","","","10.1039/D0CE00122H","powder diffraction","x-ray","1.5406","CuKα","","0.0541","0.0495","","0.0591","0.0584","","","","4","","","","","","","has coordinates","249719","2020-10-21","18:00:00",""
"7240199","12.4372","0.0001","12.4372","0.0001","12.4372","0.0001","90","","90","","90","","1923.84","0.03","293","","293","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- Al1.271 Ga2.1 Gd3 O12 Sc1.629 -","- Al1.272 Ga2.098 Gd3 O12 Sc1.63 -","- Al10.176 Ga16.784 Gd24 O96 Sc13.04 -","8","0.0833333","","Spassky, Dmitry; Kozlova, Nina; Zabelina, Evgeniia; Kasimova, Valentina; Krutyak, Nataliya; Ukhanova, Alisa; Morozov, Vladimir A.; Morozov, Anatolii V.; Buzanov, Oleg; Chernenko, Kirill; Omelkov, Sergey; Nagirnyi, Vitali","Influence of the Sc cation substituent on the structural properties and energy transfer processes in GAGG:Ce crystals","CrystEngComm","2020","","","","","10.1039/D0CE00122H","powder diffraction","x-ray","1.5406","CuKα","","0.0551","0.0482","","0.0573","0.057","","","","5.52","","","","","","","has coordinates","249719","2020-10-21","18:00:00",""
"7240200","9.0757","0.0003","11.0502","0.0004","11.7199","0.0005","103.378","0.003","105.493","0.003","104.407","0.003","1039.69","0.08","100","2","100","2","","","101.3","","","","","6","P 1","P 1","1","","","","- C40 H39 Cl2 F6 N6 O8.5 -","- C40 H39 Cl2 F6 N6 O8.5 -","- C40 H39 Cl2 F6 N6 O8.5 -","1","1","","Pettersen, Anna; Putra, Okky Dwichandra; Light, Mark E.; Namatame, Yukiko","Invitation to Submit: The Cambridge Structural Database "" A peculiar dehydration and solid-solid phase transition of the active pharmaceutical ingredient AZD9898 based on in situ single crystal-to-single crystal transformations ""","CrystEngComm","2020","","","","","10.1039/D0CE00276C","","x-ray","0.71073","MoKα","","0.0563","0.0429","","","0.1019","0.1071","","","","","","1.049","","","","has coordinates","249721","2020-10-21","18:00:00",""
"7240201","9.1429","0.0004","11.095","0.0005","11.6725","0.0005","103.187","0.004","105.203","0.004","104.668","0.004","1048.93","0.09","300","2","300","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H19 Cl F3 N3 O4 -","- C20 H19 Cl F3 N3 O4 -","- C40 H38 Cl2 F6 N6 O8 -","2","2","","Pettersen, Anna; Putra, Okky Dwichandra; Light, Mark E.; Namatame, Yukiko","Invitation to Submit: The Cambridge Structural Database "" A peculiar dehydration and solid-solid phase transition of the active pharmaceutical ingredient AZD9898 based on in situ single crystal-to-single crystal transformations ""","CrystEngComm","2020","","","","","10.1039/D0CE00276C","","x-ray","0.71073","MoKα","","0.0839","0.0515","","","0.1096","0.1252","","","","","","1.021","","","","has coordinates,has disorder","249721","2020-10-21","18:00:00",""
"7240202","9.4219","0.0006","11.2659","0.0006","11.5862","0.0006","107.504","0.004","100.89","0.005","104.746","0.005","1086.25","0.12","410","2","410","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H19 Cl F3 N3 O4 -","- C20 H19 Cl F3 N3 O4 -","- C40 H38 Cl2 F6 N6 O8 -","2","2","","Pettersen, Anna; Putra, Okky Dwichandra; Light, Mark E.; Namatame, Yukiko","Invitation to Submit: The Cambridge Structural Database "" A peculiar dehydration and solid-solid phase transition of the active pharmaceutical ingredient AZD9898 based on in situ single crystal-to-single crystal transformations ""","CrystEngComm","2020","","","","","10.1039/D0CE00276C","","x-ray","0.71073","MoKα","","0.1755","0.0692","","","0.1515","0.2004","","","","","","1.01","","","","has coordinates","249721","2020-10-21","18:00:00",""
"7240203","15.6052","0.0005","15.8374","0.0006","18.1718","0.0005","90","","90","","90","","4491.1","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","ZIF-62","Zn(Im)1.72(bIm)0.28","","- C16.69 H18.62 N8 O0.83 Zn2 -","- C16.774 H19.807 N8 O0.827 Zn2 -","- C134.192 H158.456 N64 O6.616 Zn16 -","8","1","","Thorne, Michael F.; Gómez, María Laura Ríos; Bumstead, Alice M.; Li, Shichun; Bennett, Thomas D.","Mechanochemical synthesis of mixed metal, mixed linker, glass-forming metal–organic frameworks","Green Chemistry","2020","22","8","2505","2512","10.1039/D0GC00546K","","x-ray","1.54184","CuKα","","0.0503","0.045","","","0.1313","0.1374","","","","","","1.054","","","","has coordinates,has disorder","288248","2023-12-12","12:55:28",""
"7240204","30.7919","0.0005","5.80932","0.00008","9.90381","0.00015","90","","96.4675","0.0015","90","","1760.32","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N8 O2 -","- C19 H18 N8 O2 -","- C76 H72 N32 O8 -","4","1","","Srinivasarao, Singireddi; Nandikolla, Adinarayana; Suresh, Amaroju; Calster, Kevin Van; De Voogt, Linda; Cappoen, Davie; Ghosh, Balaram; Aggarwal, Himanshu; Murugesan, Sankaranarayanan; Chandra Sekhar, Kondapalli Venkata Gowri","Seeking potent anti-tubercular agents: design and synthesis of substituted-N-(6-(4-(pyrazine-2-carbonyl)piperazine/homopiperazine-1-yl)pyridin-3-yl)benzamide derivatives as anti-tubercular agents","RSC Advances","2020","10","21","12272","12288","10.1039/D0RA01348J","","x-ray","1.54184","CuKα","","0.0461","0.043","","","0.1147","0.1173","","","","","","1.028","","","","has coordinates,has disorder","258116","2020-10-21","18:00:00",""
"7240205","8.2628","0.0002","9.9451","0.0002","12.8729","0.0003","74.307","0.002","74.059","0.002","79.348","0.002","972.22","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N7 O4 -","- C21 H19 N7 O4 -","- C42 H38 N14 O8 -","2","1","","Srinivasarao, Singireddi; Nandikolla, Adinarayana; Suresh, Amaroju; Calster, Kevin Van; De Voogt, Linda; Cappoen, Davie; Ghosh, Balaram; Aggarwal, Himanshu; Murugesan, Sankaranarayanan; Chandra Sekhar, Kondapalli Venkata Gowri","Seeking potent anti-tubercular agents: design and synthesis of substituted-N-(6-(4-(pyrazine-2-carbonyl)piperazine/homopiperazine-1-yl)pyridin-3-yl)benzamide derivatives as anti-tubercular agents","RSC Advances","2020","10","21","12272","12288","10.1039/D0RA01348J","","x-ray","1.54184","CuKα","","0.0382","0.0365","","","0.098","0.0996","","","","","","1.061","","","","has coordinates","258116","2020-10-21","18:00:00",""
"7240206","5.6978","0.0001","21.2347","0.0003","16.1672","0.0002","90","","98.561","0.001","90","","1934.29","0.05","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cl N6 O2 -","- C21 H19 Cl N6 O2 -","- C84 H76 Cl4 N24 O8 -","4","1","","Srinivasarao, Singireddi; Nandikolla, Adinarayana; Suresh, Amaroju; Calster, Kevin Van; De Voogt, Linda; Cappoen, Davie; Ghosh, Balaram; Aggarwal, Himanshu; Murugesan, Sankaranarayanan; Chandra Sekhar, Kondapalli Venkata Gowri","Seeking potent anti-tubercular agents: design and synthesis of substituted-N-(6-(4-(pyrazine-2-carbonyl)piperazine/homopiperazine-1-yl)pyridin-3-yl)benzamide derivatives as anti-tubercular agents","RSC Advances","2020","10","21","12272","12288","10.1039/D0RA01348J","","x-ray","1.54184","CuKα","","0.0448","0.0419","","","0.1168","0.1189","","","","","","1.0284","","","","has coordinates","258116","2020-10-21","18:00:00",""
"7240207","8.4509","0.0001","8.4509","0.0001","4.7354","0.0002","90","","90","","90","","338.191","0.015","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","a-H Al Na O5 P","","- Al H Na O5 P -","- Al Na O5 P -","- Al4 Na4 O20 P4 -","4","0.5","","Hao, Yucheng; Pan, Yang; Lin, Yuan; He, Linbo; Ge, Guangjie; Ruan, Yu; Zhou, Haida; Xue, Yang; Koirala, Kisan","Highly Porous Aluminophosphates with Unique Three Dimensional Open Framework Structures from Mild Hydrothermal Syntheses","CrystEngComm","2020","","","","","10.1039/D0CE00075B","","","1.54178","CuKα","","0.0598","0.0498","","","0.1544","0.1793","","","","","","1.227","","","","has coordinates","249769","2020-10-21","18:00:00",""
"7240208","6.1977","0.0002","6.1977","0.0002","10.3826","0.0009","90","","90","","90","","398.81","0.04","293","2","293","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","b-H Al Na O5 P","","- Al H Na O5 P -","- Al Na O4.996 P -","- Al4 Na4 O19.984 P4 -","4","0.125","","Hao, Yucheng; Pan, Yang; Lin, Yuan; He, Linbo; Ge, Guangjie; Ruan, Yu; Zhou, Haida; Xue, Yang; Koirala, Kisan","Highly Porous Aluminophosphates with Unique Three Dimensional Open Framework Structures from Mild Hydrothermal Syntheses","CrystEngComm","2020","","","","","10.1039/D0CE00075B","","","0.71073","MoKα","","0.0715","0.07","","","0.1846","0.1856","","","","","","1.368","","","","has coordinates","249769","2020-10-21","18:00:00",""
"7240209","7.8692","0.0005","7.8692","0.0005","7.0721","0.0006","90","","90","","120","","379.26","0.05","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- Al1.17 O6.33 P1.83 -","- Al1.16667 O6.416 P1.8334 -","- Al3.5 O19.248 P5.5002 -","3","0.25","","Hao, Yucheng; Pan, Yang; Lin, Yuan; He, Linbo; Ge, Guangjie; Ruan, Yu; Zhou, Haida; Xue, Yang; Koirala, Kisan","Highly Porous Aluminophosphates with Unique Three Dimensional Open Framework Structures from Mild Hydrothermal Syntheses","CrystEngComm","2020","","","","","10.1039/D0CE00075B","","","0.71073","MoKα","","0.0362","0.0254","","","0.0515","0.0538","","","","","","1.076","","","","has coordinates","249769","2020-10-21","18:00:00",""
"7240210","9.5596","0.0004","34.5438","0.001","9.0322","0.0003","90","","113.902","0.005","90","","2726.9","0.2","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Acridine bis(2-Methyl-5-(propan-2-yl)phenol)","","- C33 H37 N O2 -","- C33 H37 N O2 -","- C132 H148 N4 O8 -","4","1","","Mazzeo, Paolo Pio; Canossa, Stefano; Carraro, Claudia; Pelagatti, Paolo; Bacchi, Alessia","Systematic coformer contribution to cocrystal stabilization: energy and packing trends","CrystEngComm","2020","","","","","10.1039/D0CE00291G","","","0.71073","MoKα","","0.0896","0.057","","","0.1202","0.1359","","","","","","1.051","","","","has coordinates","249770","2020-10-21","18:00:00",""
"7240211","12.1372","0.0001","9.1209","0.0001","17.2439","0.0002","90","","108.629","0.001","90","","1808.92","0.03","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Acridine 5-Methyl-2-(propan-2-yl)phenol","","- C23 H23 N O -","- C23 H23 N O -","- C92 H92 N4 O4 -","4","1","","Mazzeo, Paolo Pio; Canossa, Stefano; Carraro, Claudia; Pelagatti, Paolo; Bacchi, Alessia","Systematic coformer contribution to cocrystal stabilization: energy and packing trends","CrystEngComm","2020","","","","","10.1039/D0CE00291G","","","0.7","synchrotron","","0.0629","0.0617","","","0.1611","0.1627","","","","","","1.104","","","","has coordinates","249770","2020-10-21","18:00:00",""
"7240212","6.7908","0.0001","22.7451","0.0004","32.026","0.0007","90","","90","","90","","4946.65","0.16","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C54 H90 O3 -","- C54 H90 O3 -","- C216 H360 O12 -","4","1","","Guo, Mengfei; Zhang, Zaiyong; Chen, Zhaoqiang; Ding, Qiaoce; Lu, Liye; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","The axial chirality hidden in vitamin D and its application in cocrystal prediction","CrystEngComm","2020","","","","","10.1039/D0CE00229A","","","1.54178","CuKα","","0.0687","0.0528","","","0.1337","0.1452","","","","","","1.031","","","","has coordinates","249771","2020-10-21","18:00:00",""
"7240213","6.9042","0.0008","22.803","0.003","31.694","0.004","90","","90","","90","","4989.8","1.1","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C54 H92 O3 -","- C54 H92 O3 -","- C216 H368 O12 -","4","1","","Guo, Mengfei; Zhang, Zaiyong; Chen, Zhaoqiang; Ding, Qiaoce; Lu, Liye; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","The axial chirality hidden in vitamin D and its application in cocrystal prediction","CrystEngComm","2020","","","","","10.1039/D0CE00229A","","","0.71073","MoKα","","0.1245","0.0683","","","0.1497","0.1773","","","","","","1.011","","","","has coordinates","249771","2020-10-21","18:00:00",""
"7240214","7.9995","0.0003","14.2069","0.0006","21.3942","0.0009","90","","100.552","0.004","90","","2390.29","0.17","293.15","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 N2 O2 -","- C31 H28 N2 O2 -","- C124 H112 N8 O8 -","4","1","","Kulszewicz-Bajer, Irena; Zagorska, Malgorzata; Banasiewicz, Marzena; Guńka, Piotr A; Toman, Petr; Kozankiewicz, Boleslaw; Wiosna-Salyga, Gabriela; Pron, Adam","Effect of the substituent position on the electrochemical, optical and structural properties of donor-acceptor type acridone derivatives.","Physical chemistry chemical physics : PCCP","2020","22","16","8522","8534","10.1039/d0cp00521e","","x-ray","0.71073","MoKα","","0.0762","0.0494","","","0.1291","0.1452","","","","","","1.023","","","","has coordinates","251737","2020-10-21","18:00:00",""
"7240215","9.3283","0.0007","10.2674","0.0008","13.0289","0.0009","79.338","0.006","87.728","0.006","73.749","0.007","1177.23","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N2 O2 -","- C31 H28 N2 O2 -","- C62 H56 N4 O4 -","2","1","","Kulszewicz-Bajer, Irena; Zagorska, Malgorzata; Banasiewicz, Marzena; Guńka, Piotr A; Toman, Petr; Kozankiewicz, Boleslaw; Wiosna-Salyga, Gabriela; Pron, Adam","Effect of the substituent position on the electrochemical, optical and structural properties of donor-acceptor type acridone derivatives.","Physical chemistry chemical physics : PCCP","2020","22","16","8522","8534","10.1039/d0cp00521e","","x-ray","0.71073","MoKα","","0.0951","0.0512","","","0.1261","0.1545","","","","","","1.011","","","","has coordinates","251737","2020-10-21","18:00:00",""
"7240216","12.0942","0.0009","14.502","0.0009","28.554","0.002","90","","90.589","0.007","90","","5007.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 N2 O2 -","- C31 H28 N2 O2 -","- C248 H224 N16 O16 -","8","2","","Kulszewicz-Bajer, Irena; Zagorska, Malgorzata; Banasiewicz, Marzena; Guńka, Piotr A; Toman, Petr; Kozankiewicz, Boleslaw; Wiosna-Salyga, Gabriela; Pron, Adam","Effect of the substituent position on the electrochemical, optical and structural properties of donor-acceptor type acridone derivatives.","Physical chemistry chemical physics : PCCP","2020","22","16","8522","8534","10.1039/d0cp00521e","","x-ray","0.71073","MoKα","","0.1862","0.0883","","","0.2589","0.3318","","","","","","1.005","","","","has coordinates","251737","2020-10-21","18:00:00",""
"7240217","5.345","0.0001","8.3039","0.0002","18.8962","0.0004","101.923","0.002","93.255","0.002","98.322","0.002","808.7","0.03","170","0.11","170","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C38 H40 O2 S4 -","- C38 H40 O2 S4 -","- C38 H40 O2 S4 -","1","0.5","","Chen, Daoliang; Zhu, Danlei; Lin, Gaobo; Du, Mingxu; Shi, Dandan; Peng, Qian; Jiang, Lang; Liu, Zitong; Zhang, Guanxin; Zhang, Deqing","New fused conjugated molecules with fused thiophene and pyran units for organic electronic materials","RSC Advances","2020","10","21","12378","12383","10.1039/D0RA01984D","","x-ray","1.54184","CuKα","","0.063","0.0455","","","0.1057","0.1185","","","","","","1.051","","","","has coordinates","258115","2020-10-21","18:00:00",""
"7240218","8.16","0.0003","8.4682","0.0004","13.9854","0.0005","87.738","0.003","87.241","0.003","71.942","0.004","917.42","0.07","170","0.12","170","0.12","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 O2 S6 -","- C42 H40 O2 S6 -","- C42 H40 O2 S6 -","1","0.5","","Chen, Daoliang; Zhu, Danlei; Lin, Gaobo; Du, Mingxu; Shi, Dandan; Peng, Qian; Jiang, Lang; Liu, Zitong; Zhang, Guanxin; Zhang, Deqing","New fused conjugated molecules with fused thiophene and pyran units for organic electronic materials","RSC Advances","2020","10","21","12378","12383","10.1039/D0RA01984D","","x-ray","1.54184","CuKα","","0.0992","0.0897","","","0.2433","0.2565","","","","","","1.056","","","","has coordinates","258115","2020-10-21","18:00:00",""
"7240219","11.6746","0.0005","8.8149","0.0003","18.171","0.0007","90","","90","","90","","1869.99","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","DMA-BTO","","","- C4 H9 N9 O2 -","- C4 H9 N9 O2 -","- C32 H72 N72 O16 -","8","1","","Xu, Xin; Chen, Dong; Li, Hongzhen; Yan, Mi; Xiong, Ying; Zhao, Haixia; Xu, Rong","Crystal structure evolution of an energetic compound dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate induced by solvents","RSC Advances","2020","10","20","11939","11944","10.1039/D0RA01182G","","","0.71073","MoKα","","0.0484","0.0385","","","0.0952","0.1032","","","","","","1.057","","","","has coordinates","258076","2020-10-21","18:00:00",""
"7240220","8.3308","0.001","12.0024","0.0016","9.2986","0.0012","90","","105.393","0.003","90","","896.4","0.2","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","DEA-BTO","","","- C10 H24 N10 O2 -","- C10 H24 N10 O2 -","- C20 H48 N20 O4 -","2","0.25","","Xu, Xin; Chen, Dong; Li, Hongzhen; Yan, Mi; Xiong, Ying; Zhao, Haixia; Xu, Rong","Crystal structure evolution of an energetic compound dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate induced by solvents","RSC Advances","2020","10","20","11939","11944","10.1039/D0RA01182G","","","0.71073","MoKα","","0.0492","0.0402","","","0.1111","0.1183","","","","","","1.083","","","","has coordinates","258076","2020-10-21","18:00:00",""
"7240221","6.811","0.0005","7.3961","0.0005","11.6431","0.0009","73.627","0.002","82.716","0.002","83.323","0.002","556.19","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H11 N9 O4 -","- C5 H11 N9 O4 -","- C10 H22 N18 O8 -","2","1","","Xu, Xin; Chen, Dong; Li, Hongzhen; Yan, Mi; Xiong, Ying; Zhao, Haixia; Xu, Rong","Crystal structure evolution of an energetic compound dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate induced by solvents","RSC Advances","2020","10","20","11939","11944","10.1039/D0RA01182G","","","0.71073","MoKα","","0.0551","0.0422","","","0.1001","0.1103","","","","","","1.065","","","","has coordinates","258076","2020-10-21","18:00:00",""
"7240222","11.666","0.005","8.002","0.005","33.179","0.005","90","","99.513","0.005","90","","3055","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl N5 O5.5 -","- C13 H11 Cl N5 O5.5 -","- C104 H88 Cl8 N40 O44 -","8","2","","Alves, Marina A.; de Queiroz, Aline C.; Leite, Anderson Brandão; Martins, Felipe T.; Doriguetto, Antonio C.; Barreiro, Eliezer J.; Alexandre-Moreira, Magna S.; Lima, Lídia M.","Carbamoyl-N-aryl-imine-urea: a new framework to obtain a putative leishmanicidal drug-candidate","RSC Advances","2020","10","21","12384","12394","10.1039/D0RA00287A","","","0.71069","MoKα","","0.1698","0.0594","","","0.1243","0.1689","","","","","","0.952","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7240223","7.8077","0.0016","6.1034","0.0012","22.881","0.005","90","","91.67","0.03","90","","1089.9","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C52 H48 N4 O8 -","2","0.5","","Kilinkissa, Ornella E. Y.; Govender, Krishna Kuben; Bathori, Nikoletta B.","Melting point‒solubility‒structure correlations in chiral and racemic model cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00014K","","","0.71073","MoKα","","0.071","0.047","","","0.1188","0.133","","","","","","1.038","","","","has coordinates","249813","2020-10-21","18:00:00",""
"7240224","5.6951","0.0011","32.968","0.007","7.2241","0.0014","90","","109.74","0.03","90","","1276.7","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N O2 -","- C15 H16 N O2 -","- C60 H64 N4 O8 -","4","1","","Kilinkissa, Ornella E. Y.; Govender, Krishna Kuben; Bathori, Nikoletta B.","Melting point‒solubility‒structure correlations in chiral and racemic model cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00014K","","","0.71073","MoKα","","0.0777","0.0626","","","0.1316","0.1378","","","","","","1.084","","","","has coordinates","249813","2020-10-21","18:00:00",""
"7240225","6.5705","0.0013","9.2493","0.0018","17.129","0.003","92.82","0.03","99.52","0.03","110.25","0.03","956.8","0.4","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C44 H44 N4 O8 -","2","2","","Kilinkissa, Ornella E. Y.; Govender, Krishna Kuben; Bathori, Nikoletta B.","Melting point‒solubility‒structure correlations in chiral and racemic model cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00014K","","","0.71073","MoKα","","0.0489","0.0398","","","0.0918","0.0969","","","","","","1.038","","","","has coordinates","249813","2020-10-21","18:00:00",""
"7240226","6.5593","0.0013","9.2837","0.0019","16.826","0.003","82.39","0.03","81.52","0.03","69.63","0.03","946.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C44 H44 N4 O8 -","2","1","","Kilinkissa, Ornella E. Y.; Govender, Krishna Kuben; Bathori, Nikoletta B.","Melting point‒solubility‒structure correlations in chiral and racemic model cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00014K","","","0.71073","MoKα","","0.1195","0.0777","","","0.1634","0.1803","","","","","","1.06","","","","has coordinates","249813","2020-10-21","18:00:00",""
"7240227","9.3729","0.0019","18.545","0.004","11.135","0.002","90","","113.89","0.03","90","","1769.7","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Kilinkissa, Ornella E. Y.; Govender, Krishna Kuben; Bathori, Nikoletta B.","Melting point‒solubility‒structure correlations in chiral and racemic model cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00014K","","","0.71073","MoKα","","0.0581","0.0415","","","0.1024","0.1115","","","","","","1.04","","","","has coordinates","249813","2020-10-21","18:00:00",""
"7240228","20.435","0.002","4.6351","0.0006","17.7856","0.0019","90","","116.068","0.003","90","","1513.3","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cadavarine adipate;Pentane-1,5-diamine adipate","1,5-Diaminopentane adipate","","- C11 H28 N2 O6 -","- C11 H28 N2 O6 -","- C44 H112 N8 O24 -","4","0.5","","Yang, Pengpeng; Peng, Xiaoqiang; Wang, Sen; Li, Dong; Li, Ming; Jiao, Pengfei; Zhuang, Wei; Wu, Jianglan; Wen, Qingshi; Ying, Hanjie","Crystal structure, Thermodynamics, and Crystallization of Bio-based Polyamide 56 salt","CrystEngComm","2020","","","","","10.1039/D0CE00198H","","","0.71073","MoKα","","0.0408","0.0358","","","0.0915","0.0943","","","","","","1.145","","","","has coordinates","249831","2020-10-21","18:00:00",""
"7240229","14.242","0.0009","10.3185","0.0007","16.3776","0.0009","90","","90","","90","","2406.8","0.3","178","","178","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C28 H35 N P2 -","- C28 H20 N P2 -","- C112 H80 N4 P8 -","4","0.5","","Liang, Wenbin; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Synthesis of 1,2,4-azadiphosphole derivatives based on vanadium-catalyzed [2+2+1] cycloaddition reactions of azobenzenes with phosphaalkynes","RSC Advances","2020","10","22","12730","12733","10.1039/D0RA02503H","","","0.71075","MoKα","","0.1625","0.1398","","","0.2387","0.2519","","","","","","1","","","","has coordinates","257972","2020-10-21","18:00:00",""
"7240230","21.4445","0.0011","21.4445","0.0011","9.3118","0.0005","90","","90","","90","","4282.2","0.4","260","2","260","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C9 H9 O5.5 P1.25 Zn -","- C9 H9 O5.5 P1.25 Zn -","- C72 H72 O44 P10 Zn8 -","8","0.25","","Goldman, Anna; Gil-Hernández, Beatriz; Millan, Simon; Gökpinar, Serkan; Heering, Christian; Boldog, Ishtvan; Janiak, Christoph","Flexible bifunctional monoethylphosphonate/carboxylates of Zn(II) and Co(II) reinforced with DABCO co-ligand: paradigmatic structural organization with pcu topology","CrystEngComm","2020","","","","","10.1039/D0CE00275E","","","0.71073","MoKα","","0.0766","0.0585","","","0.1666","0.1867","","","","","","1.096","","","","has coordinates","249893","2020-10-21","18:00:00",""
"7240231","19.912","0.004","19.912","0.004","9.5338","0.0017","90","","90","","90","","3780","1.3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C29 H42 N3 O12 P2 Zn2 -","- C29 H42 N3 O12 P2 Zn2 -","- C116 H168 N12 O48 P8 Zn8 -","4","0.25","","Goldman, Anna; Gil-Hernández, Beatriz; Millan, Simon; Gökpinar, Serkan; Heering, Christian; Boldog, Ishtvan; Janiak, Christoph","Flexible bifunctional monoethylphosphonate/carboxylates of Zn(II) and Co(II) reinforced with DABCO co-ligand: paradigmatic structural organization with pcu topology","CrystEngComm","2020","","","","","10.1039/D0CE00275E","","","0.71073","MoKα","","0.1102","0.0748","","","0.2041","0.2229","","","","","","0.976","","","","has coordinates,has disorder","249893","2020-10-21","18:00:00",""
"7240232","7.5505","0.0015","8.4609","0.0017","19.059","0.004","90","","94.78","0.005","90","","1213.3","0.4","99.98","","99.98","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H32 Cl Mn N4 O4 -","- C24 H32 Cl Mn N4 O4 -","- C48 H64 Cl2 Mn2 N8 O8 -","2","0.5","","Villaman, David; McMonagle, Charles J.; Probert, Michael; Peña, Octavio; Moreno, Yanko; Fuentealba, Mauricio","Structural Studies of Manganese(III) Complex with Spin-Crossover and Thermochromic Properties","CrystEngComm","2020","","","","","10.1039/C9CE01962F","","","0.56086","AgKα","","0.0967","0.0579","","","0.1242","0.1467","","","","","","1.048","","","","has coordinates,has disorder","249894","2020-10-21","18:00:00",""
"7240233","8.0387","0.0016","8.3211","0.0016","19.109","0.004","90","","91.225","0.005","90","","1277.9","0.4","349.98","","349.98","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H32 Cl Mn N4 O4 -","- C24 H32 Cl Mn N4 O4 -","- C48 H64 Cl2 Mn2 N8 O8 -","2","0.5","","Villaman, David; McMonagle, Charles J.; Probert, Michael; Peña, Octavio; Moreno, Yanko; Fuentealba, Mauricio","Structural Studies of Manganese(III) Complex with Spin-Crossover and Thermochromic Properties","CrystEngComm","2020","","","","","10.1039/C9CE01962F","","","0.56086","AgKα","","0.1262","0.0535","","","0.1327","0.1611","","","","","","1.051","","","","has coordinates","249894","2020-10-21","18:00:00",""
"7240234","7.8657","0.0004","8.3573","0.0005","19.1322","0.0011","90","","92.729","0.002","90","","1256.25","0.12","289.99","","289.99","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H32 Cl Mn N4 O4 -","- C24 H32 Cl Mn N4 O4 -","- C48 H64 Cl2 Mn2 N8 O8 -","2","0.5","","Villaman, David; McMonagle, Charles J.; Probert, Michael; Peña, Octavio; Moreno, Yanko; Fuentealba, Mauricio","Structural Studies of Manganese(III) Complex with Spin-Crossover and Thermochromic Properties","CrystEngComm","2020","","","","","10.1039/C9CE01962F","","","0.56086","AgKα","","0.1082","0.0426","","","0.1148","0.1458","","","","","","1.102","","","","has coordinates","249894","2020-10-21","18:00:00",""
"7240235","8.1041","0.0017","8.3084","0.0017","19.127","0.004","90","","90.843","0.005","90","","1287.7","0.5","400","","400","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H32 Cl Mn N4 O4 -","- C24 H32 Cl Mn N4 O4 -","- C48 H64 Cl2 Mn2 N8 O8 -","2","0.5","","Villaman, David; McMonagle, Charles J.; Probert, Michael; Peña, Octavio; Moreno, Yanko; Fuentealba, Mauricio","Structural Studies of Manganese(III) Complex with Spin-Crossover and Thermochromic Properties","CrystEngComm","2020","","","","","10.1039/C9CE01962F","","","0.56086","AgKα","","0.1389","0.0469","","","0.1227","0.1641","","","","","","1.055","","","","has coordinates","249894","2020-10-21","18:00:00",""
"7240236","9.0895","0.0002","15.5758","0.0003","7.7921","0.0002","90","","102.169","0.002","90","","1078.39","0.04","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N8 Ni O6 -","- C20 H22 N8 Ni O6 -","- C40 H44 N16 Ni2 O12 -","2","0.5","","Zhang, Ya-Jie; Yin, Lei; Li, Jing; Hu, Zhao-Bo; Ouyang, Zhong-Wen; Song, You; Wang, Zhenxing","Synthesis, crystal structures, HF-EPR, and magnetic properties of six-coordinate transition metal (Co, Ni, and Cu) compounds with a 4-amino-1,2,4-triazole Schiff-base ligand","RSC Advances","2020","10","22","12833","12840","10.1039/C9RA10851C","","x-ray","1.54184","CuKα","","0.0388","0.0338","","","0.0868","0.0929","","","","","","1.074","","","","has coordinates","257971","2020-10-21","18:00:00",""
"7240237","6.9439","0.0003","9.74","0.0004","10.3973","0.0004","63.431","0.004","77.659","0.004","73.969","0.004","601.15","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 Ce Cl O9 -","- C8 H10 Ce Cl O9 -","- C16 H20 Ce2 Cl2 O18 -","2","1","","Hussain, Sajjad; Chen, Xuenian; Harrison, William T. A.; Ahmad, Saeed; Sharif, Shahzad; Su, Jian; Muhammad, Shabbir; Li, Shujun","Synthesis, crystal structures and, magnetic and photoluminescence properties of lanthanide-based metal‒organic frameworks constructed with 2,5-dihydroxybenzene-1,4-dicarboxylic acid","RSC Advances","2020","10","22","12841","12850","10.1039/D0RA01294G","","","1.54184","CuKα","","0.0316","0.0287","","","0.064","0.0651","","","","","","1.018","","","","has coordinates","257973","2020-10-21","18:00:00",""
"7240238","12.5257","0.00012","14.44759","0.00014","14.23151","0.00013","90","","106.789","0.001","90","","2465.64","0.04","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 O15 Tb -","- C18 H30 O15 Tb -","- C72 H120 O60 Tb4 -","4","1","","Hussain, Sajjad; Chen, Xuenian; Harrison, William T. A.; Ahmad, Saeed; Sharif, Shahzad; Su, Jian; Muhammad, Shabbir; Li, Shujun","Synthesis, crystal structures and, magnetic and photoluminescence properties of lanthanide-based metal‒organic frameworks constructed with 2,5-dihydroxybenzene-1,4-dicarboxylic acid","RSC Advances","2020","10","22","12841","12850","10.1039/D0RA01294G","","","1.54184","CuKα","","0.0313","0.0287","","","0.0721","0.0735","","","","","","1.053","","","","has coordinates,has disorder","257973","2020-10-21","18:00:00",""
"7240239","12.5345","0.0002","14.4309","0.0002","14.2786","0.0002","90","","106.348","0.001","90","","2478.35","0.06","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 Eu O15 -","- C18 H30 Eu O15 -","- C72 H120 Eu4 O60 -","4","1","","Hussain, Sajjad; Chen, Xuenian; Harrison, William T. A.; Ahmad, Saeed; Sharif, Shahzad; Su, Jian; Muhammad, Shabbir; Li, Shujun","Synthesis, crystal structures and, magnetic and photoluminescence properties of lanthanide-based metal‒organic frameworks constructed with 2,5-dihydroxybenzene-1,4-dicarboxylic acid","RSC Advances","2020","10","22","12841","12850","10.1039/D0RA01294G","","","1.54184","CuKα","","0.037","0.0325","","","0.084","0.0883","","","","","","1.031","","","","has coordinates,has disorder","257973","2020-10-21","18:00:00",""
"7240240","12.53408","0.00013","14.43816","0.00018","14.25451","0.00016","90","","106.533","0.0012","90","","2472.97","0.05","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 Gd O15 -","- C18 H30 Gd O15 -","- C72 H120 Gd4 O60 -","4","1","","Hussain, Sajjad; Chen, Xuenian; Harrison, William T. A.; Ahmad, Saeed; Sharif, Shahzad; Su, Jian; Muhammad, Shabbir; Li, Shujun","Synthesis, crystal structures and, magnetic and photoluminescence properties of lanthanide-based metal‒organic frameworks constructed with 2,5-dihydroxybenzene-1,4-dicarboxylic acid","RSC Advances","2020","10","22","12841","12850","10.1039/D0RA01294G","","","1.54184","CuKα","","0.0276","0.0249","","","0.0582","0.0596","","","","","","1.065","","","","has coordinates,has disorder","257973","2020-10-21","18:00:00",""
"7240241","14.7258","0.0002","17.0253","0.0002","17.5571","0.0003","90","","105.655","0.0018","90","","4238.48","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H44 N2 O Si -","- C51 H44 N2 O Si -","- C204 H176 N8 O4 Si4 -","4","1","","Aradhyula, Basava Punna Rao; Ranga Naidu Chinta, Ramu V.; Dhanunjayarao, Kunchala; Venkatasubbaiah, Krishnan","Synthesis and characterization of poly(tetraphenylimidazole)s and their application in the detection of fluoride ions","RSC Advances","2020","10","22","13149","13154","10.1039/D0RA01559H","","x-ray","1.54184","CuKα","","0.0601","0.0535","","","0.1564","0.1627","","","","","","1.087","","","","has coordinates","257974","2020-10-21","18:00:00",""
"7240242","21.0346","0.0009","13.9323","0.0007","8.424","0.0005","90","","92.856","0.002","90","","2465.7","0.2","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C15 H20 F8 N10 O2 V2 Zn2 -","- C15 H20 F8 N10 O2 V2 Zn2 -","- C60 H80 F32 N40 O8 V8 Zn8 -","4","0.5","","Ahmed, Belal; Jo, Hongil; Lee, Suheon; Choi, Kwang-Yong; Ok, Kang Min","Influence of structure-directing polyhedra and heterocyclic ligands on the chain structures and O/F ordering in a series of zinc vanadium oxyfluorides","CrystEngComm","2020","","","","","10.1039/D0CE00318B","","","0.71073","MoKα","","0.0912","0.051","","","0.1056","0.1243","","","","","","1.022","","","","has coordinates","249990","2020-10-21","18:00:00",""
"7240243","9.97","0.002","15.173","0.003","18.46","0.004","90","","105.65","0.03","90","","2689","1","298","2","297.85","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 F6 N8 O3 V2 Zn -","- C16 H26 F6 N8 O3 V2 Zn -","- C64 H104 F24 N32 O12 V8 Zn4 -","4","1","","Ahmed, Belal; Jo, Hongil; Lee, Suheon; Choi, Kwang-Yong; Ok, Kang Min","Influence of structure-directing polyhedra and heterocyclic ligands on the chain structures and O/F ordering in a series of zinc vanadium oxyfluorides","CrystEngComm","2020","","","","","10.1039/D0CE00318B","","x-ray","0.63","synchrotron","","0.0559","0.0437","","","0.1273","0.1321","","","","","","1.087","","","","has coordinates","249990","2020-10-21","18:00:00",""
"7240244","21.4873","0.0008","14.4408","0.0005","20.9884","0.0007","90","","112.827","0.002","90","","6002.5","0.4","298","2","298","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 F12 N20 O3 V3 Zn3 -","- C40 H60 F12 N20 O3 V3 Zn3 -","- C160 H240 F48 N80 O12 V12 Zn12 -","4","1","","Ahmed, Belal; Jo, Hongil; Lee, Suheon; Choi, Kwang-Yong; Ok, Kang Min","Influence of structure-directing polyhedra and heterocyclic ligands on the chain structures and O/F ordering in a series of zinc vanadium oxyfluorides","CrystEngComm","2020","","","","","10.1039/D0CE00318B","","x-ray","0.71073","MoKα","","0.1717","0.0639","","","0.13","0.1781","","","","","","0.965","","","","has coordinates","249990","2020-10-21","18:00:00",""
"7240245","20.3464","0.0001","37.9267","0.0003","30.4684","0.0002","90","","97.04","0.001","90","","23334.3","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C132 H292.5 Cl2.5 N88 O123 -","- C132 H132 Cl2.5 N88 O123.039 -","- C528 H528 Cl10 N352 O492.156 -","4","1","","Danylyuk, Oksana; Sashuk, Volodymyr","A three-in-one crystal of mixed sized cucurbit[n]uril homologues","CrystEngComm","2020","","","","","10.1039/D0CE00296H","","","1.54184","CuKα","","0.1194","0.1021","","","0.291","0.3138","","","","","","1.087","","","","has coordinates,has disorder","249991","2020-10-21","18:00:00",""
"7240246","16.179","0.002","8.8178","0.0015","17.233","0.002","90","","103.819","0.013","90","","2387.4","0.6","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C56 H60 N4 O8 -","2","1","","El-Harairy, Ahmed; Shaheen, Mennatallah; Li, Jun; Wu, Yuzhou; Li, Minghao; Gu, Yanlong","Synthesis of α-indolylacrylates as potential anticancer agents using a Brønsted acid ionic liquid catalyst and the butyl acetate solvent","RSC Advances","2020","10","23","13507","13516","10.1039/D0RA00990C","","x-ray","0.71073","MoKα","","0.0787","0.0732","","","0.199","0.2059","","","","","","1.07","","","","has coordinates","258111","2020-10-21","18:00:00",""
"7240247","9.461","0.0006","26.3464","0.0013","11.1125","0.0008","90","","90","","90","","2769.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H32 Cu N4 O7 -","- C28 H32 Cu N4 O7 -","- C112 H128 Cu4 N16 O28 -","4","1","","Ma, Yu-Lu; Meng, Qin; Xu, Zhong-Xuan","Semi-conductive helical homochiral metal−organic frameworks based on enantiomeric proline derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00262C","","x-ray","0.71073","MoKα","","0.0441","0.036","","","0.0873","0.09","","","","","","1.039","","","","has coordinates","250032","2020-10-21","18:00:00",""
"7240248","9.4529","0.0006","26.3871","0.001","11.1375","0.0006","90","","90","","90","","2778.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H32 Cu N4 O7 -","- C28 H32 Cu N4 O7 -","- C112 H128 Cu4 N16 O28 -","4","1","","Ma, Yu-Lu; Meng, Qin; Xu, Zhong-Xuan","Semi-conductive helical homochiral metal−organic frameworks based on enantiomeric proline derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00262C","","x-ray","0.71073","MoKα","","0.0419","0.0343","","","0.0804","0.0825","","","","","","1.031","","","","has coordinates","250032","2020-10-21","18:00:00",""
"7240249","11.4298","0.0007","17.5953","0.0009","23.3164","0.0013","90","","90","","90","","4689.2","0.5","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C23 H22 Co N3 O6.5 -","- C23 H21 Co N3 O6.5 -","- C184 H168 Co8 N24 O52 -","8","1","","Ma, Yu-Lu; Meng, Qin; Xu, Zhong-Xuan","Semi-conductive helical homochiral metal−organic frameworks based on enantiomeric proline derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00262C","","x-ray","0.71073","MoKα","","0.0356","0.0311","","","0.0741","0.0757","","","","","","1.021","","","","has coordinates,has disorder","250032","2020-10-21","18:00:00",""
"7240250","11.4166","0.0009","17.5949","0.0013","23.3418","0.0016","90","","90","","90","","4688.8","0.6","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C23 H22 Co N3 O6.5 -","- C23 H21 Co N3 O6.5 -","- C184 H168 Co8 N24 O52 -","8","1","","Ma, Yu-Lu; Meng, Qin; Xu, Zhong-Xuan","Semi-conductive helical homochiral metal−organic frameworks based on enantiomeric proline derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00262C","","x-ray","0.71073","MoKα","","0.035","0.0316","","","0.0809","0.0822","","","","","","1.004","","","","has coordinates,has disorder","250032","2020-10-21","18:00:00",""
"7240251","11.8148","0.0003","9.6634","0.0002","20.8234","0.0005","90","","98.5727","0.001","90","","2350.87","0.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N3 O6 -","- C25 H27 N3 O6 -","- C100 H108 N12 O24 -","4","1","","Palanimuthu, Arunan; Chen, Chinpiao; Lee, Gene-Hsian","Synthesis of highly substituted tetrahydroquinolines using ethyl cyanoacetate via aza-Michael‒Michael addition","RSC Advances","2020","10","23","13591","13600","10.1039/D0RA01264E","","","1.54178","CuKα","","0.0481","0.0392","","","0.0947","0.104","","","","","","1.037","","","","has coordinates,has disorder","258112","2020-10-21","18:00:00",""
"7240252","9.4969","0.0002","12.723","0.0003","20.1047","0.0005","89.5889","0.0012","87.0347","0.0011","88.2917","0.0012","2424.86","0.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 N3 O6 -","- C25 H27 N3 O6 -","- C100 H108 N12 O24 -","4","2","","Palanimuthu, Arunan; Chen, Chinpiao; Lee, Gene-Hsian","Synthesis of highly substituted tetrahydroquinolines using ethyl cyanoacetate via aza-Michael‒Michael addition","RSC Advances","2020","10","23","13591","13600","10.1039/D0RA01264E","","","1.54178","CuKα","","0.0559","0.0468","","","0.1169","0.1267","","","","","","1.029","","","","has coordinates,has disorder","258112","2020-10-21","18:00:00",""
"7240253","9.8022","0.0003","11.3939","0.0003","14.907","0.0004","88.3116","0.0011","89.7934","0.0011","65.7475","0.001","1517.23","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O2 Si -","- C18 H16 O2 Si -","- C72 H64 O8 Si4 -","4","2","","Medvedev, Alexander G.; Grishanov, Dmitry A.; Churakov, Andrei V.; Mikhaylov, Alexey A.; Lev, Ovadia; Prikhodchenko, Petr V.","Hydroperoxo double hydrogen bonding: stabilization of hydroperoxo complexes exemplified by triphenylsilicon and triphenylgermanium hydroperoxides","CrystEngComm","2020","22","11","1922","1928","10.1039/C9CE01882D","","","0.71073","MoKα","","0.0538","0.0412","","","0.0913","0.0971","","","","","","1.037","","","","has coordinates","257484","2020-10-21","18:00:00",""
"7240254","8.6748","0.0002","9.4769","0.0002","11.2572","0.0003","65.78","0.001","88.888","0.001","66.382","0.001","761.58","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H30 Ge2 O2 -","- C36 H30 Ge2 O2 -","- C36 H30 Ge2 O2 -","1","0.5","","Medvedev, Alexander G.; Grishanov, Dmitry A.; Churakov, Andrei V.; Mikhaylov, Alexey A.; Lev, Ovadia; Prikhodchenko, Petr V.","Hydroperoxo double hydrogen bonding: stabilization of hydroperoxo complexes exemplified by triphenylsilicon and triphenylgermanium hydroperoxides","CrystEngComm","2020","22","11","1922","1928","10.1039/C9CE01882D","","","0.71073","MoKα","","0.0254","0.0237","","","0.062","0.0628","","","","","","1.066","","","","has coordinates","257484","2020-10-21","18:00:00",""
"7240255","9.8517","0.0003","11.4503","0.0003","15.0058","0.0004","88.4868","0.0009","89.8466","0.001","65.3416","0.0009","1537.77","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 Ge O2 -","- C18 H16 Ge O2 -","- C72 H64 Ge4 O8 -","4","2","","Medvedev, Alexander G.; Grishanov, Dmitry A.; Churakov, Andrei V.; Mikhaylov, Alexey A.; Lev, Ovadia; Prikhodchenko, Petr V.","Hydroperoxo double hydrogen bonding: stabilization of hydroperoxo complexes exemplified by triphenylsilicon and triphenylgermanium hydroperoxides","CrystEngComm","2020","22","11","1922","1928","10.1039/C9CE01882D","","","0.71073","MoKα","","0.0517","0.0394","","","0.1003","0.1052","","","","","","1.069","","","","has coordinates","257484","2020-10-21","18:00:00",""
"7240256","9.563","0.0006","12.5988","0.0007","25.0296","0.0014","81.062","0.003","88.375","0.003","88.956","0.003","2977.5","0.3","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H48 Cl N O -","- C33 H48 Cl N O -","- C132 H192 Cl4 N4 O4 -","4","4","","Xu, Biping; Shang, Yaping; Jie, Xiaoming; Zhang, Xiaofeng; Kan, Jian; Yedage, Subhash Laxman; Su, Weiping","Synthesis of α-enaminones from cyclic ketones and anilines using oxoammonium salt as an oxygen transfer reagent","Green Chemistry","2020","22","6","1827","1831","10.1039/C9GC03845K","","","0.71073","MoKα","","0.0679","0.0503","","","0.1271","0.1453","","","","","","1.076","","","","has coordinates","257599","2020-10-21","18:00:00",""
"7240257","10.97","0.004","12.408","0.004","12.818","0.004","101.383","0.004","111.028","0.004","108.089","0.004","1451.3","0.8","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C10 H58 Cu4 N10 O48 Si W11 -","- C10 H40 Cu4 N10 O47 Si W11 -","- C10 H40 Cu4 N10 O47 Si W11 -","1","1","","Yang, Mu-Xiu; Zhou, Meng-Jie; Cao, Jia-Peng; Han, Ye-Min; Hong, Ya-Lin; Xu, Yan","Application of temperature-controlled chiral hybrid structures constructed from copper(ii)-monosubstituted Keggin polyoxoanions and copper(ii)-organoamine complexes in enantioselective sensing of tartaric acid","RSC Advances","2020","10","23","13759","13765","10.1039/D0RA01904F","","","0.71073","MoKα","","0.0565","0.0517","","","0.1249","0.1356","","","","","","1.029","","","","has coordinates","258113","2020-10-21","18:00:00",""
"7240258","10.9871","0.0011","12.3354","0.0012","12.7954","0.0013","101.807","0.001","110.331","0.001","107.718","0.001","1452.5","0.3","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C10 H58 Cu4 N10 O48 Si W11 -","- C10 H40 Cu4 N10 O48 Si W11 -","- C10 H40 Cu4 N10 O48 Si W11 -","1","1","","Yang, Mu-Xiu; Zhou, Meng-Jie; Cao, Jia-Peng; Han, Ye-Min; Hong, Ya-Lin; Xu, Yan","Application of temperature-controlled chiral hybrid structures constructed from copper(ii)-monosubstituted Keggin polyoxoanions and copper(ii)-organoamine complexes in enantioselective sensing of tartaric acid","RSC Advances","2020","10","23","13759","13765","10.1039/D0RA01904F","","","0.71073","MoKα","","0.0591","0.0483","","","0.1304","0.1697","","","","","","1.1","","","","has coordinates","258113","2020-10-21","18:00:00",""
"7240259","18.9","0.005","23.208","0.006","26.175","0.007","90","","96.397","0.003","90","","11410","5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H55 Cu4 N12 O42.5 Si W11 -","- C12 H48 Cu4 N12 O42.5 Si W11 -","- C96 H384 Cu32 N96 O340 Si8 W88 -","8","2","","Yang, Mu-Xiu; Zhou, Meng-Jie; Cao, Jia-Peng; Han, Ye-Min; Hong, Ya-Lin; Xu, Yan","Application of temperature-controlled chiral hybrid structures constructed from copper(ii)-monosubstituted Keggin polyoxoanions and copper(ii)-organoamine complexes in enantioselective sensing of tartaric acid","RSC Advances","2020","10","23","13759","13765","10.1039/D0RA01904F","","","0.71073","MoKα","","0.1031","0.0718","","","0.1717","0.1841","","","","","","1.052","","","","has coordinates,has disorder","258113","2020-10-21","18:00:00",""
"7240260","8.8979","0.001","16.1189","0.0018","10.7902","0.0012","90","","98.182","0.003","90","","1531.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 -","- C19 H17 N3 -","- C76 H68 N12 -","4","1","","Huang, Jiangkun; Luo, Lan; Xing, Naiguo; Gu, Linghui; Li, Chen; Han, Qiao; Zheng, Shilong; He, Ling","Novel synthesis of divergent aryl imidazoles from ketones involving copper-catalyzed α-amination and oxidative C‒C bond cleavage","RSC Advances","2020","10","23","13815","13819","10.1039/D0RA01408G","","","0.71073","MoKα","","0.0787","0.0511","","","0.1135","0.1279","","","","","","1.028","","","","has coordinates","258114","2020-10-21","18:00:00",""
"7240261","9.8331","0.0014","20.335","0.003","9.8331","0.0014","90","","90","","90","","1966.2","0.5","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C11 H11 F0.5 N2 -","- C11 H11 F0.5 N2 -","- C88 H88 F4 N16 -","8","1","","Huang, Jiangkun; Luo, Lan; Xing, Naiguo; Gu, Linghui; Li, Chen; Han, Qiao; Zheng, Shilong; He, Ling","Novel synthesis of divergent aryl imidazoles from ketones involving copper-catalyzed α-amination and oxidative C‒C bond cleavage","RSC Advances","2020","10","23","13815","13819","10.1039/D0RA01408G","","","0.71073","MoKα","","0.0596","0.0544","","","0.125","0.1283","","","","","","1.197","","","","has coordinates","258114","2020-10-21","18:00:00",""
"7240262","9.612","0.003","7.441","0.002","24.001","0.007","90","","90","","90","","1716.6","0.9","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N2 -","- C10 H10 N2 -","- C80 H80 N16 -","8","1","","Huang, Jiangkun; Luo, Lan; Xing, Naiguo; Gu, Linghui; Li, Chen; Han, Qiao; Zheng, Shilong; He, Ling","Novel synthesis of divergent aryl imidazoles from ketones involving copper-catalyzed α-amination and oxidative C‒C bond cleavage","RSC Advances","2020","10","23","13815","13819","10.1039/D0RA01408G","","","0.71073","MoKα","","0.1112","0.0565","","","0.11","0.1333","","","","","","1.103","","","","has coordinates","258114","2020-10-21","18:00:00",""
"7240263","11.6483","0.0005","12.8326","0.0005","15.9004","0.0006","85.574","0.001","68.719","0.001","75.628","0.001","2145.16","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H30 Cd Mn2 N6 O10 -","- C46 H30 Cd Mn2 N6 O10 -","- C92 H60 Cd2 Mn4 N12 O20 -","2","1","","Gavrikov, Andrey Vyacheslavovich; Ilyukhin, Andrey; Koroteev, Pavel Sergeevich","Step-by-step: Uncommon SCSC transformation accompanied by stepwise change in binding of particular ligand within mononuclear complex upon stepwise desolvation","CrystEngComm","2020","","","","","10.1039/D0CE00379D","","","0.71073","MoKα","","0.0576","0.0447","","","0.0926","0.0971","","","","","","1.068","","","","has coordinates","250429","2020-10-21","18:00:00",""
"7240264","11.196","0.003","12.133","0.003","16.012","0.004","70.63","0.008","74.044","0.008","75.725","0.007","1943.7","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H24 Cd Mn2 N4 O10 -","- C42 H24 Cd Mn2 N4 O10 -","- C84 H48 Cd2 Mn4 N8 O20 -","2","1","","Gavrikov, Andrey Vyacheslavovich; Ilyukhin, Andrey; Koroteev, Pavel Sergeevich","Step-by-step: Uncommon SCSC transformation accompanied by stepwise change in binding of particular ligand within mononuclear complex upon stepwise desolvation","CrystEngComm","2020","","","","","10.1039/D0CE00379D","","","0.71073","MoKα","","0.2172","0.1433","","","0.2777","0.3114","","","","","","1.286","","","","has coordinates","250429","2020-10-21","18:00:00",""
"7240265","11.1656","0.0012","12.1921","0.0014","15.7403","0.0018","79.978","0.003","73.141","0.003","74.814","0.003","1967.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H27 Cd Mn2 N5 O10 -","- C44 H27 Cd Mn2 N5 O10 -","- C88 H54 Cd2 Mn4 N10 O20 -","2","1","","Gavrikov, Andrey Vyacheslavovich; Ilyukhin, Andrey; Koroteev, Pavel Sergeevich","Step-by-step: Uncommon SCSC transformation accompanied by stepwise change in binding of particular ligand within mononuclear complex upon stepwise desolvation","CrystEngComm","2020","","","","","10.1039/D0CE00379D","","","0.71073","MoKα","","0.1333","0.1061","","","0.2994","0.3225","","","","","","1.048","","","","has coordinates","250429","2020-10-21","18:00:00",""
"7240266","13.2745","0.0008","7.8001","0.0002","24.2247","0.0014","90","","129.278","0.01","90","","1941.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C88 H92 N4 O16 -","4","1","","Gu, Guangmiao; Huang, Mengmeng; Kim, Jung Keun; Zhang, Jianye; Li, Yabo; Wu, Yangjie","Visible-light-induced photocatalyst-free C-3 functionalization of indoles with diethyl bromomalonate","Green Chemistry","2020","22","8","2543","2548","10.1039/D0GC00292E","","x-ray","1.54184","CuKα","","0.063","0.049","","","0.125","0.1387","","","","","","1.04","","","","has coordinates","257579","2020-10-21","18:00:00",""
"7240267","9.8999","0.0003","15.9931","0.0004","15.6852","0.0005","90","","104.928","0.003","90","","2399.62","0.13","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cl N2 O4 -","- C26 H25 Cl N2 O4 -","- C104 H100 Cl4 N8 O16 -","4","1","","Filatov, Vadim; Kukushkin, Maksim; Kuznetsova, Juliana; Skvortsov, Dmitry; Tafeenko, Viktor; Zyk, Nikolay; Majouga, Alexander; Beloglazkina, Elena","Synthesis of 1,3-diaryl-spiro[azetidine-2,3′-indoline]-2′,4-diones via the Staudinger reaction: cis- or trans-diastereoselectivity with different addition modes","RSC Advances","2020","10","24","14122","14133","10.1039/D0RA02374D","","","1.54186","CuKα","","0.0711","0.0439","","","0.1165","0.1292","","","","","","0.929","","","","has coordinates","257965","2020-10-21","18:00:00",""
"7240268","11.7246","0.0002","11.7246","0.0002","27.1515","0.0004","90","","90","","90","","3732.41","0.11","295","2","295","","","","","","","","","6","P 41","P 4w","76","","","","- C22 H14 Cl F N2 O2 -","- C22 H14 Cl F N2 O2 -","- C176 H112 Cl8 F8 N16 O16 -","8","2","","Filatov, Vadim; Kukushkin, Maksim; Kuznetsova, Juliana; Skvortsov, Dmitry; Tafeenko, Viktor; Zyk, Nikolay; Majouga, Alexander; Beloglazkina, Elena","Synthesis of 1,3-diaryl-spiro[azetidine-2,3′-indoline]-2′,4-diones via the Staudinger reaction: cis- or trans-diastereoselectivity with different addition modes","RSC Advances","2020","10","24","14122","14133","10.1039/D0RA02374D","","","1.54186","CuKα","","0.0685","0.0621","","","0.1663","0.1728","","","","","","1.091","","","","has coordinates","257965","2020-10-21","18:00:00",""
"7240269","11.6632","0.0002","11.6632","0.0002","27.4472","0.0009","90","","90","","90","","3733.65","0.15","295","2","295","","","","","","","","","6","P 41","P 4w","76","","","","- C22 H14 Cl F N2 O2 -","- C22 H14 Cl F N2 O2 -","- C176 H112 Cl8 F8 N16 O16 -","8","2","","Filatov, Vadim; Kukushkin, Maksim; Kuznetsova, Juliana; Skvortsov, Dmitry; Tafeenko, Viktor; Zyk, Nikolay; Majouga, Alexander; Beloglazkina, Elena","Synthesis of 1,3-diaryl-spiro[azetidine-2,3′-indoline]-2′,4-diones via the Staudinger reaction: cis- or trans-diastereoselectivity with different addition modes","RSC Advances","2020","10","24","14122","14133","10.1039/D0RA02374D","","","1.54186","CuKα","","0.0892","0.0409","","","0.0756","0.0918","","","","","","0.833","","","","has coordinates","257965","2020-10-21","18:00:00",""
"7240270","14.3504","0.0005","9.0371","0.0002","20.1515","0.0007","90","","107.169","0.002","90","","2496.91","0.14","295","2","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cl F N2 O3 -","- C26 H24 Cl F N2 O3 -","- C104 H96 Cl4 F4 N8 O12 -","4","1","","Filatov, Vadim; Kukushkin, Maksim; Kuznetsova, Juliana; Skvortsov, Dmitry; Tafeenko, Viktor; Zyk, Nikolay; Majouga, Alexander; Beloglazkina, Elena","Synthesis of 1,3-diaryl-spiro[azetidine-2,3′-indoline]-2′,4-diones via the Staudinger reaction: cis- or trans-diastereoselectivity with different addition modes","RSC Advances","2020","10","24","14122","14133","10.1039/D0RA02374D","","","1.54186","CuKα","","0.0639","0.0463","","","0.1338","0.1426","","","","","","1.025","","","","has coordinates","257965","2020-10-21","18:00:00",""
"7240271","11.6433","0.0004","11.6433","0.0004","27.2378","0.0012","90","","90","","90","","3692.5","0.2","295","2","295","","","","","","","","","6","P 41","P 4w","76","","","","- C22 H14 Cl F N2 O2 -","- C22 H14 Cl F N2 O2 -","- C176 H112 Cl8 F8 N16 O16 -","8","2","","Filatov, Vadim; Kukushkin, Maksim; Kuznetsova, Juliana; Skvortsov, Dmitry; Tafeenko, Viktor; Zyk, Nikolay; Majouga, Alexander; Beloglazkina, Elena","Synthesis of 1,3-diaryl-spiro[azetidine-2,3′-indoline]-2′,4-diones via the Staudinger reaction: cis- or trans-diastereoselectivity with different addition modes","RSC Advances","2020","10","24","14122","14133","10.1039/D0RA02374D","","","0.71073","MoKα","","0.21","0.0864","","","0.1717","0.2662","","","","","","0.929","","","","has coordinates","257965","2020-10-21","18:00:00",""
"7240272","10.7102","0.0008","12.4241","0.0009","18.9297","0.0014","88.674","0.002","81.057","0.003","77.969","0.002","2433.5","0.3","100","2","100","","","","","","","","","9","P -1","-P 1","2","","","","- C86 H74 Cd2 Cl8 F12 N4 Nd2 O22 S4 -","- C86 H74 Cd2 Cl8 F12 N4 Nd2 O22 S4 -","- C86 H74 Cd2 Cl8 F12 N4 Nd2 O22 S4 -","1","0.5","","Qi, Yue; Sun, Ou; Zhou, Yanyan; Yao, Yuan; Cheng, Zhenyu; Gao, Ting; Li, Hongfeng","Enhanced near-infrared luminescence in Ln2Cd2 (Ln = Nd, Yb) heterotetranuclear complexes","CrystEngComm","2020","","","","","10.1039/D0CE00341G","","","0.71073","MoKα","","0.0543","0.0516","","","0.1321","0.1346","","","","","","1.07","","","","has coordinates,has disorder","250474","2020-10-21","18:00:00",""
"7240273","10.876","0.004","12.218","0.004","12.367","0.005","66.42","0.007","78.642","0.007","69.642","0.007","1408.9","0.9","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H48 Cl6 N36 O30 -","- C21 H48 Cl6 N36 O30 -","- C21 H48 Cl6 N36 O30 -","1","0.5","","Geng, Wenjing; Jia, Yunfei; Chen, Ya; Ma, Qing; Fan, Guijuan; Liao, Longyu","Superior thermally robust energetic materials featuring Z-E isomeric bis(3,4-diamino-1,2,4-triazol-5-yl)-1H-pyrazole: self-assembly nitrogen-rich tubes and templates with Hofmeister anions capture architecture","CrystEngComm","2020","","","","","10.1039/D0CE00278J","","","0.71073","MoKα","","0.1531","0.0934","","","0.2572","0.3128","","","","","","0.996","","","","has coordinates,has disorder","250475","2020-10-21","18:00:00",""
"7240274","6.6062","0.0007","10.0221","0.0011","24.619","0.003","90","","95.193","0.004","90","","1623.3","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H18 N12 O7 S -","- C7 H18 N12 O7 S -","- C28 H72 N48 O28 S4 -","4","1","","Geng, Wenjing; Jia, Yunfei; Chen, Ya; Ma, Qing; Fan, Guijuan; Liao, Longyu","Superior thermally robust energetic materials featuring Z-E isomeric bis(3,4-diamino-1,2,4-triazol-5-yl)-1H-pyrazole: self-assembly nitrogen-rich tubes and templates with Hofmeister anions capture architecture","CrystEngComm","2020","","","","","10.1039/D0CE00278J","","","0.71073","MoKα","","0.1197","0.0574","","","0.1298","0.1587","","","","","","0.999","","","","has coordinates","250475","2020-10-21","18:00:00",""
"7240275","7.054","0.0002","21.5123","0.0005","10.5167","0.0002","90","","96.191","0.001","90","","1586.58","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 N4 O5 -","- C15 H22 N4 O5 -","- C60 H88 N16 O20 -","4","1","","Tabbasum, Nida; Varras, Panayiotis C.; Arshad, Fizza; Choudhary, Muhammad Iqbal; Yousuf, Sammer","Biological activities tuning of antibacterial urotorpine via co-crystallization: Synthesis, biological activity evaluation and computational insight","CrystEngComm","2020","","","","","10.1039/D0CE00226G","","","1.54178","CuKα","","0.0413","0.0354","","","0.0859","0.0897","","","","","","1.058","","","","has coordinates","250476","2020-10-21","18:00:00",""
"7240276","30.5126","0.001","9.6815","0.0003","7.3786","0.0002","90","","90","","90","","2179.7","0.11","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C96 H112 N16 O16 -","8","1","","Tabbasum, Nida; Varras, Panayiotis C.; Arshad, Fizza; Choudhary, Muhammad Iqbal; Yousuf, Sammer","Biological activities tuning of antibacterial urotorpine via co-crystallization: Synthesis, biological activity evaluation and computational insight","CrystEngComm","2020","","","","","10.1039/D0CE00226G","","","1.54178","CuKα","","0.028","0.0263","","","0.0642","0.0653","","","","","","1.087","","","","has coordinates","250476","2020-10-21","18:00:00",""
"7240277","17.3306","0.0013","5.9128","0.0005","17.503","0.0013","90","","92.156","0.003","90","","1792.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 F3 N4 O2 -","- C19 H21 F3 N4 O2 -","- C76 H84 F12 N16 O8 -","4","1","","Tabbasum, Nida; Varras, Panayiotis C.; Arshad, Fizza; Choudhary, Muhammad Iqbal; Yousuf, Sammer","Biological activities tuning of antibacterial urotorpine via co-crystallization: Synthesis, biological activity evaluation and computational insight","CrystEngComm","2020","","","","","10.1039/D0CE00226G","","","1.54178","CuKα","","0.0439","0.0352","","","0.0835","0.0883","","","","","","1.017","","","","has coordinates,has disorder","250476","2020-10-21","18:00:00",""
"7240278","7.4169","0.0001","7.4169","0.0001","31.97","0.0007","90","","90","","90","","1758.68","0.05","302","2","302","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Cs2UO2Ga2O5","","- Cs2 Ga2 O7 U -","- Cs2.0022 Ga2 O7 U -","- Cs16.0176 Ga16 O56 U8 -","8","0.25","","Juillerat, Christian A.; Klepov, Vladislav; Smith, Mark D.; Zur Loye, Hans-Conrad","Targeted Crystal Growth of Uranium Gallophosphates Via the Systematic Exploration of the UF4-GaPO4-ACl (A = Cs, Rb) Phase Space","CrystEngComm","2020","","","","","10.1039/D0CE00343C","","","0.71073","MoKα","","0.0214","0.021","","","0.0498","0.0499","","","","","","1.326","","","","has coordinates","250477","2020-10-21","18:00:00",""
"7240279","7.3052","0.0008","9.0828","0.001","11.7254","0.0013","75.857","0.004","72.834","0.004","86.974","0.004","720.65","0.14","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","Rb6(UO2)5O2(PO4)4","","- O28 P4 Rb6 U5 -","- O28 P4 Rb6 U5 -","- O28 P4 Rb6 U5 -","1","0.5","","Juillerat, Christian A.; Klepov, Vladislav; Smith, Mark D.; Zur Loye, Hans-Conrad","Targeted Crystal Growth of Uranium Gallophosphates Via the Systematic Exploration of the UF4-GaPO4-ACl (A = Cs, Rb) Phase Space","CrystEngComm","2020","","","","","10.1039/D0CE00343C","","","0.71073","MoKα","","0.0314","0.0282","","","0.0728","0.0746","","","","","","1.056","","","","has coordinates","250477","2020-10-21","18:00:00",""
"7240280","9.548","0.004","13.488","0.005","14.898","0.006","64.755","0.016","72.369","0.016","89.511","0.016","1637.6","1.2","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","Rb5.93Cl0.93[UO2)5(PO4)5]","","- Cl0.95 O30 P5 Rb5.93 U5 -","- Cl0.947 O30 P5 Rb5.926 U5 -","- Cl1.894 O60 P10 Rb11.852 U10 -","2","1","","Juillerat, Christian A.; Klepov, Vladislav; Smith, Mark D.; Zur Loye, Hans-Conrad","Targeted Crystal Growth of Uranium Gallophosphates Via the Systematic Exploration of the UF4-GaPO4-ACl (A = Cs, Rb) Phase Space","CrystEngComm","2020","","","","","10.1039/D0CE00343C","","","0.71073","MoKα","","0.0703","0.0482","","","0.0892","0.096","","","","","","1.098","","","","has coordinates","250477","2020-10-21","18:00:00",""
"7240281","9.5935","0.0005","13.7652","0.0008","13.2983","0.0008","90","","101.343","0.002","90","","1721.82","0.17","303","2","302.88","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Rb7.5[(UO2)8O8.6F0.4(PO4)2]","","- F0.4 O32.6 P2 Rb7.6 U8 -","- F0.4 O32.6 P2 Rb7.6 U8 -","- F0.8 O65.2 P4 Rb15.2 U16 -","2","0.5","","Juillerat, Christian A.; Klepov, Vladislav; Smith, Mark D.; Zur Loye, Hans-Conrad","Targeted Crystal Growth of Uranium Gallophosphates Via the Systematic Exploration of the UF4-GaPO4-ACl (A = Cs, Rb) Phase Space","CrystEngComm","2020","","","","","10.1039/D0CE00343C","","","0.71073","MoKα","","0.0428","0.0405","","","0.0865","0.0874","","","","","","1.362","","","","has coordinates","250477","2020-10-21","18:00:00",""
"7240282","25.7697","0.0006","25.7697","0.0006","9.3962","0.0002","90","","90","","90","","6239.8","0.2","301","2","301.14","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","Rb11[(UO2)8(PO4)9]","","- O52 P9 Rb11.02 U8 -","- O52 P9 Rb10.9988 U8 -","- O208 P36 Rb43.9952 U32 -","4","0.25","","Juillerat, Christian A.; Klepov, Vladislav; Smith, Mark D.; Zur Loye, Hans-Conrad","Targeted Crystal Growth of Uranium Gallophosphates Via the Systematic Exploration of the UF4-GaPO4-ACl (A = Cs, Rb) Phase Space","CrystEngComm","2020","","","","","10.1039/D0CE00343C","","","0.71073","MoKα","","0.0366","0.035","","","0.0903","0.091","","","","","","1.326","","","","has coordinates","250477","2020-10-21","18:00:00",""
"7240283","9.7382","0.0014","10.0324","0.0013","11.2964","0.0015","73.551","0.007","87.711","0.007","74.719","0.007","1020.3","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 I N6 O2 -","- C20 H18 I N6 O2 -","- C40 H36 I2 N12 O4 -","2","1","","Liu, Lang; She, Mengyao; Zhang, Jun; Wang, Zhaohui; Liu, Hua; Tang, Mi; Liu, Ping; Zhang, Shengyong; Li, Jianli","A practical strategy for construction and regulation of multi-functional triazepinium salts via highly efficient I2-catalyzed cyclization","Green Chemistry","2020","22","10","3111","3116","10.1039/C9GC04328D","","","0.71073","MoKα","","0.0532","0.0466","","","0.1191","0.124","","","","","","1.065","","","","has coordinates","257571","2020-10-21","18:00:00",""
"7240284","7.6849","0.0004","11.331","0.0005","14.1776","0.0007","94.684","0.002","94.245","0.002","106.982","0.002","1170.56","0.1","297.99","","297.99","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H20 Cl I N6 O S -","- C22 H20 Cl I N6 O S -","- C44 H40 Cl2 I2 N12 O2 S2 -","2","1","","Liu, Lang; She, Mengyao; Zhang, Jun; Wang, Zhaohui; Liu, Hua; Tang, Mi; Liu, Ping; Zhang, Shengyong; Li, Jianli","A practical strategy for construction and regulation of multi-functional triazepinium salts via highly efficient I2-catalyzed cyclization","Green Chemistry","2020","22","10","3111","3116","10.1039/C9GC04328D","","","0.71073","MoKα","","0.022","0.0193","","","0.0469","0.0481","","","","","","1.095","","","","has coordinates","257571","2020-10-21","18:00:00",""
"7240285","21.618","0.003","7.8792","0.001","23.619","0.003","90","","90","","90","","4023.1","0.9","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H16 I N7 -","- C22 H16 I N7 -","- C176 H128 I8 N56 -","8","1","","Liu, Lang; She, Mengyao; Zhang, Jun; Wang, Zhaohui; Liu, Hua; Tang, Mi; Liu, Ping; Zhang, Shengyong; Li, Jianli","A practical strategy for construction and regulation of multi-functional triazepinium salts via highly efficient I2-catalyzed cyclization","Green Chemistry","2020","22","10","3111","3116","10.1039/C9GC04328D","","","0.71073","MoKα","","0.1005","0.0487","","","0.1005","0.1206","","","","","","1.021","","","","has coordinates","257571","2020-10-21","18:00:00",""
"7240286","8.0435","0.0006","11.5711","0.001","27.338","0.002","90","","95.054","0.005","90","","2534.5","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 I N6 O -","- C20 H15 I N6 O -","- C80 H60 I4 N24 O4 -","4","1","","Liu, Lang; She, Mengyao; Zhang, Jun; Wang, Zhaohui; Liu, Hua; Tang, Mi; Liu, Ping; Zhang, Shengyong; Li, Jianli","A practical strategy for construction and regulation of multi-functional triazepinium salts via highly efficient I2-catalyzed cyclization","Green Chemistry","2020","22","10","3111","3116","10.1039/C9GC04328D","","","0.71073","MoKα","","0.1421","0.0722","","","0.1699","0.1942","","","","","","1.041","","","","has coordinates","257571","2020-10-21","18:00:00",""
"7240287","7.1908","0.0004","15.8291","0.0008","20.6394","0.0011","90","","90","","90","","2349.3","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","N-(Phenyl-6-deoxy-2,3,4-tri-O-methyl-β-D-glucopyranosid-6-yl)-pyridinium trifluoromethanesulfonate","","- C21 H26 F3 N O8 S -","- C21 H26 F3 N O8 S -","- C84 H104 F12 N4 O32 S4 -","4","1","","Reiß, Melanie; Brietzke, Andreas; Eickner, Thomas; Stein, Florian; Villinger, Alexander; Vogel, Christian; Kragl, Udo; Jopp, Stefan","Synthesis of novel carbohydrate based pyridinium ionic liquids and cytotoxicity of ionic liquids for mammalian cells","RSC Advances","2020","10","24","14299","14304","10.1039/D0RA01370F","","","0.71073","MoKα","","0.1011","0.0499","","","0.1001","0.1178","","","","","","1.022","","","","has coordinates","257964","2020-10-21","18:00:00",""
"7240288","16.0965","0.0011","8.7488","0.0006","13.4481","0.0009","90","","121.558","0.003","90","","1613.8","0.2","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","N-(1,4-anhydro-5-deoxy-2,3-O-isopropyliden-D-ribitol-5-yl)-pyridinium mesylate","","- C14 H22 N O6.5 S -","- C14 H22 N O6.5 S -","- C56 H88 N4 O26 S4 -","4","1","","Reiß, Melanie; Brietzke, Andreas; Eickner, Thomas; Stein, Florian; Villinger, Alexander; Vogel, Christian; Kragl, Udo; Jopp, Stefan","Synthesis of novel carbohydrate based pyridinium ionic liquids and cytotoxicity of ionic liquids for mammalian cells","RSC Advances","2020","10","24","14299","14304","10.1039/D0RA01370F","","","0.71073","MoKα","","0.0432","0.0397","","","0.0929","0.0954","","","","","","1.052","","","","has coordinates","257964","2020-10-21","18:00:00",""
"7240289","15.5061","0.0009","6.3564","0.0004","24.1497","0.0013","90","","100.865","0.003","90","","2337.6","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","N-(Methyl-6-deoxy-2,3,4-tri-O-ethyl-β-D-glucopyranosid-6-yl)-pyridinium trifluoromethanesulfonate","","- C19 H30 F3 N O8 S -","- C19 H30 F3 N O8 S -","- C76 H120 F12 N4 O32 S4 -","4","1","","Reiß, Melanie; Brietzke, Andreas; Eickner, Thomas; Stein, Florian; Villinger, Alexander; Vogel, Christian; Kragl, Udo; Jopp, Stefan","Synthesis of novel carbohydrate based pyridinium ionic liquids and cytotoxicity of ionic liquids for mammalian cells","RSC Advances","2020","10","24","14299","14304","10.1039/D0RA01370F","","","0.71073","MoKα","","0.0526","0.046","","","0.1067","0.1121","","","","","","1.077","","","","has coordinates","257964","2020-10-21","18:00:00",""
"7240290","34.428","0.005","3.812","0.0006","19.787","0.003","90","","90","","90","","2596.8","0.7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H7 N3 O -","- C6 H7 N3 O -","- C96 H112 N48 O16 -","16","4","","Zhang, Keke; Fellah, Noalle; Shtukenberg, Alexander G.; Fu, Xiaoyan; Hu, Chunhua; Ward, Michael D.","Discovery of new polymorphs of the tuberculosis drug isoniazid","CrystEngComm","2020","","","","","10.1039/D0CE00440E","","","0.71073","MoKα","","0.085","0.0515","","","0.105","0.1202","","","","","","1.027","","","","has coordinates","250517","2020-10-21","18:00:00",""
"7240291","4.7844","0.001","6.1705","0.0012","15.43","0.003","90","","96.42","0.03","90","","452.67","0.16","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 N4 -","- C10 H8 N4 -","- C20 H16 N8 -","2","0.5","","Gao, Lei; Hao, Yunhui; Zhang, Xiunan; Huang, Xin; Wang, Ting; Hao, Hongxun","Polymorph Induced Diversity of Photomechanical Motions of Molecular Crystals","CrystEngComm","2020","","","","","10.1039/D0CE00311E","","","0.71073","MoKα","","0.0547","0.0447","","","0.1185","0.1246","","","","","","1.05","","","","has coordinates","250518","2020-10-21","18:00:00",""
"7240292","14.63788","0.00016","14.63788","0.00016","13.6616","0.0002","90","","90","","120","","2535.06","0.05","109.9","0.1","109.9","0.1","","","","","","","","3","P 64","P 64","172","","","","- C19 H20 O5 -","- C19 H20 O5 -","- C114 H120 O30 -","6","1","","Yin, Zhao-Kun; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Xu; Zhang, Pei-Cheng; Yang, Ya-Nan","New diterpenoid quinones derived from Salvia miltiorrhiza and their cytotoxic and neuroprotective activities","RSC Advances","2020","10","24","14235","14242","10.1039/D0RA02022B","","x-ray","1.54184","CuKα","","0.0308","0.0305","","","0.0769","0.0771","","","","","","1.082","","","","has coordinates,has disorder","257963","2020-10-21","18:00:00",""
"7240293","29.725","0.0014","7.9068","0.0003","15.6809","0.0009","90","","108.574","0.004","90","","3493.5","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Br N O4 -","- C18 H20 Br N O4 -","- C144 H160 Br8 N8 O32 -","8","1","","Beil, Sebastian B.; Breiner, Manuel; Schulz, Lara; Schüll, Aaron; Müller, Timo; Schollmeyer, Dieter; Bomm, Alexander; Holtkamp, Michael; Karst, Uwe; Schade, Wolfgang; Waldvogel, Siegfried R.","About the selectivity and reactivity of active nickel electrodes in C‒C coupling reactions","RSC Advances","2020","10","24","14249","14253","10.1039/D0RA02673E","","","0.71073","MoKα","","0.0635","0.0448","","","0.089","0.0981","","","","","","1.063","","","","has coordinates,has disorder","257962","2020-10-21","18:00:00",""
"7240294","9.6368","0.0013","15.6248","0.0016","16.1815","0.0018","90","","90","","90","","2436.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","180618a","","- C30 H22 N2 O2 -","- C30 H22 N2 O2 -","- C120 H88 N8 O8 -","4","1","","Zhang, Mengxing; Li, Jiale; Yu, Lirong; Wang, Xi; Bai, Ming","Tuning the fluorescence based on the combination of TICT and AIE emission of a tetraphenylethylene with D‒π‒A structure","RSC Advances","2020","10","25","14520","14524","10.1039/D0RA00107D","","","1.54184","CuKα","","0.1773","0.126","","","0.3479","0.4183","","","","","","1.372","","","","has coordinates","258068","2020-10-21","18:00:00",""
"7240295","4.1648","0.0003","10.9613","0.0006","12.044","0.0007","105.854","0.005","90.015","0.006","94.64","0.006","527.04","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C24 H22 N2 O6 -","2","1","","Guo, Weiwei; Zhang, Qi; Cao, Yang; Cai, Kaihua; Zhang, Shengyong; Chai, Yonghai","Environmentally benign access to isoindolinones: synthesis, separation and resource recycling","Green Chemistry","2020","22","9","2873","2878","10.1039/D0GC00957A","","","1.54184","CuKα","","0.0548","0.042","","","0.1076","0.1181","","","","","","1.03","","","","has coordinates","257616","2020-10-21","18:00:00",""
"7240296","11.0533","0.0006","11.0533","0.0006","31.3156","0.0016","90","","90","","90","","3826","0.4","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C33 H40 Co3 N6 O17 -","- C33 H40 Co3 N6 O17 -","- C132 H160 Co12 N24 O68 -","4","1","","Jiang, Zhenzhen; Zhou, Ping; Xu, Tingting; Fan, Lihui; Hu, Simin; Chen, Jingxian; He, Yabing","Two Co-based MOFs assembled from an amine-functionalized pyridinecarboxylate ligand: inorganic acid-directed structural variety and gas adsorption properties","CrystEngComm","2020","","","","","10.1039/D0CE00475H","","","0.71073","MoKα","","0.0426","0.04","","","0.0999","0.1026","","","","","","1.072","","","","has coordinates,has disorder","250675","2020-10-21","18:00:00",""
"7240297","23.8554","0.0005","23.8554","0.0005","11.0075","0.0002","90","","90","","120","","5424.91","0.19","150","2","150","2","","","","","","","","5","P 61","P 61","169","","","","- C25 H35 Co3 N5 O15 -","- C22 H25 Co3 N4 O13 -","- C132 H150 Co18 N24 O78 -","6","1","","Jiang, Zhenzhen; Zhou, Ping; Xu, Tingting; Fan, Lihui; Hu, Simin; Chen, Jingxian; He, Yabing","Two Co-based MOFs assembled from an amine-functionalized pyridinecarboxylate ligand: inorganic acid-directed structural variety and gas adsorption properties","CrystEngComm","2020","","","","","10.1039/D0CE00475H","","","0.71073","MoKα","","0.0412","0.037","","","0.0937","0.0974","","","","","","1.054","","","","has coordinates","250675","2020-10-21","18:00:00",""
"7240298","12.1799","0.00046","13.7527","0.00061","7.0999","0.00039","90","","90","","90","","1189.28","0.1","298","","298","","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C8.4 H11.6 Cu N4.8 O0.8 -","- C8.3622 H11.5118 Cu N4.7874 O0.7874 -","- C33.4488 H46.0472 Cu4 N19.1496 O3.1496 -","4","0.5","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7240299","18.7113","0.0009","6.72929","0.00027","6.84365","0.00015","90","","90","","90","","861.71","0.06","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C3 H4 Cu N2 O -","- C3 H4 Cu N2 O -","- C24 H32 Cu8 N16 O8 -","8","1","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7240300","20.26801","0.0005","9.53129","0.00021","7.35857","0.00015","90","","90","","90","","1421.53","0.06","298","","298","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C8.6 H10 Cu I2 N4.9 O0.9 -","- C8.5872 H10.0368 Cu I2 N4.4312 O0.862 -","- C34.3488 H40.1472 Cu4 I8 N17.7248 O3.448 -","4","0.25","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7240301","13.70385","0.00033","14.45157","0.00035","7.13836","0.00019","90","","90","","90","","1413.7","0.06","298","","298","","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C9 H11 Cl2 Cu N5 O -","- C9 H11 Cl2 Cu N5 O1.0001 -","- C36 H44 Cl8 Cu4 N20 O4.0004 -","4","0.5","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7240302","20.17156","0.00039","9.23328","0.00021","7.29128","0.00014","90","","90","","90","","1358","0.05","298","","298","","","","","","","","","6","P b n m","-P 2c 2ab","62","","","","- C7.5 H7.5 Cu I2 N4.5 O0.5 -","- C7.6284 H7.7996 Cu I2 N4.5428 O0.5428 -","- C30.5136 H31.1984 Cu4 I8 N18.1712 O2.1712 -","4","0.5","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7240303","14.12276","0.00037","14.41132","0.0003","7.12786","0.00017","90","","90","","90","","1450.72","0.06","298","","298","","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C9 H11 Br2 Cu N5 O -","- C9.1554 H11.3626 Br2 Cu N5.0518 O1.0518 -","- C36.6216 H45.4504 Br8 Cu4 N20.2072 O4.2072 -","4","0.5","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7240304","7.6112","0.0005","11.9128","0.0007","16.0046","0.001","81.915","0.003","81.796","0.003","80.15","0.003","1405.04","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H58 Cl6 N4 O12 -","- C64 H58 Cl6 N4 O12 -","- C64 H58 Cl6 N4 O12 -","1","0.5","","Tominaga, Masahide; Mizuno, Kosuke; Yamamoto, Haruka; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-Inclusion of cyclic ethers and chloroform by a macrocycle with benzophenone-3,3′,4,4′-tetracarboxylic diimide units","CrystEngComm","2020","","","","","10.1039/D0CE00221F","","","1.54178","CuKα","","0.0678","0.056","","","0.1485","0.1578","","","","","","1.047","","","","has coordinates","250755","2020-10-21","18:00:00",""
"7240305","7.6225","0.0008","12.046","0.0013","15.9044","0.0017","81.746","0.005","80.373","0.005","79.855","0.005","1407.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H58 Cl6 N4 O11 -","- C64 H58 Cl6 N4 O11 -","- C64 H58 Cl6 N4 O11 -","1","0.5","","Tominaga, Masahide; Mizuno, Kosuke; Yamamoto, Haruka; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-Inclusion of cyclic ethers and chloroform by a macrocycle with benzophenone-3,3′,4,4′-tetracarboxylic diimide units","CrystEngComm","2020","","","","","10.1039/D0CE00221F","","","1.54178","CuKα","","0.0947","0.0861","","","0.2402","0.2484","","","","","","1.077","","","","has coordinates,has disorder","250755","2020-10-21","18:00:00",""
"7240306","7.6781","0.0005","12.0451","0.0008","15.9522","0.0011","81.688","0.003","81.54","0.003","79.019","0.003","1422.19","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H58.01 Cl5.97 N4 O12 -","- C64.0064 H58.0128 Cl5.97 N4 O12.0032 -","- C64.0064 H58.0128 Cl5.97 N4 O12.0032 -","1","0.5","","Tominaga, Masahide; Mizuno, Kosuke; Yamamoto, Haruka; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-Inclusion of cyclic ethers and chloroform by a macrocycle with benzophenone-3,3′,4,4′-tetracarboxylic diimide units","CrystEngComm","2020","","","","","10.1039/D0CE00221F","","","1.54178","CuKα","","0.111","0.0868","","","0.2291","0.2485","","","","","","1.027","","","","has coordinates,has disorder","250755","2020-10-21","18:00:00",""
"7240307","7.612","0.0005","12.0404","0.0007","15.8636","0.001","81.859","0.002","81.279","0.002","80.545","0.002","1407.4","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H56 Cl6 N4 O12 -","- C63 H56 Cl6 N4 O12 -","- C63 H56 Cl6 N4 O12 -","1","0.5","","Tominaga, Masahide; Mizuno, Kosuke; Yamamoto, Haruka; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-Inclusion of cyclic ethers and chloroform by a macrocycle with benzophenone-3,3′,4,4′-tetracarboxylic diimide units","CrystEngComm","2020","","","","","10.1039/D0CE00221F","","","1.54178","CuKα","","0.0766","0.0621","","","0.1683","0.1789","","","","","","1.066","","","","has coordinates,has disorder","250755","2020-10-21","18:00:00",""
"7240308","8.802","0.0009","9.0045","0.0008","10.8415","0.0011","83.765","0.004","86.631","0.004","72.048","0.004","812.31","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 Cl N3 O4 -","- C15 H16 Cl N3 O4 -","- C30 H32 Cl2 N6 O8 -","2","1","","Annes, Sesuraj Babiola; Saritha, Rajendhiran; Subramanian, Saravanan; Shankar, Bhaskaran; Ramesh, Subburethinam","Solvent-free and montmorillonite K10-catalyzed domino reactions for the synthesis of pyrazoles with alkynylester as a dual synthon","Green Chemistry","2020","22","8","2388","2393","10.1039/D0GC00162G","","","0.71073","MoKα","","0.048","0.0395","","","0.0999","0.1057","","","","","","1.036","","","","has coordinates","257577","2020-10-21","18:00:00",""
"7240309","5.6602","0.0005","19.0351","0.0018","10.7528","0.001","90","","102.926","0.001","90","","1129.18","0.18","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","","Annes, Sesuraj Babiola; Saritha, Rajendhiran; Subramanian, Saravanan; Shankar, Bhaskaran; Ramesh, Subburethinam","Solvent-free and montmorillonite K10-catalyzed domino reactions for the synthesis of pyrazoles with alkynylester as a dual synthon","Green Chemistry","2020","22","8","2388","2393","10.1039/D0GC00162G","","","0.71073","MoKα","","0.0434","0.0398","","","0.11","0.1143","","","","","","1.07","","","","has coordinates","257577","2020-10-21","18:00:00",""
"7240310","6.7032","0.0006","8.5139","0.0009","22.447","0.002","90","","90","","90","","1281.1","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O S -","- C13 H14 N2 O S -","- C52 H56 N8 O4 S4 -","4","1","","Gan, Ziyu; Li, Guoqing; Yan, Qiuli; Deng, Weiseng; Jiang, Yuan-Ye; Yang, Daoshan","Visible-light-promoted oxidative desulphurisation: a strategy for the preparation of unsymmetrical ureas from isothiocyanates and amines using molecular oxygen","Green Chemistry","2020","22","9","2956","2962","10.1039/D0GC00070A","","","0.71073","MoKα","","0.1043","0.0537","","","0.0972","0.1177","","","","","","1.125","","","","has coordinates,has disorder","257617","2020-10-21","18:00:00",""
"7240311","8.1026","0.0007","15.7929","0.0013","8.4783","0.0008","90","","104.183","0.003","90","","1051.84","0.16","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","","Gan, Ziyu; Li, Guoqing; Yan, Qiuli; Deng, Weiseng; Jiang, Yuan-Ye; Yang, Daoshan","Visible-light-promoted oxidative desulphurisation: a strategy for the preparation of unsymmetrical ureas from isothiocyanates and amines using molecular oxygen","Green Chemistry","2020","22","9","2956","2962","10.1039/D0GC00070A","","","0.71073","MoKα","","0.0504","0.0371","","","0.0929","0.1027","","","","","","1.039","","","","has coordinates","257617","2020-10-21","18:00:00",""
"7240312","11.8368","0.0007","12.9003","0.0007","12.9079","0.0008","77.415","0.002","70.445","0.002","87.203","0.002","1812.08","0.19","297","","297","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 Co2 Dy2 N28 O13 -","- C60 H66 Co2 Dy2 N28 O13 -","- C60 H66 Co2 Dy2 N28 O13 -","1","0.5","","Wang, Ruirui; Wang, Haili; Wang, Juan; Bai, Feifei; Ma, Yue; Li, Licun; Wang, Qinglun; Zhao, Bin; Cheng, Peng","The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d‒4f heterometallic compounds","CrystEngComm","2020","","","","","10.1039/D0CE00039F","","","0.71073","MoKα","","0.0404","0.0323","","","0.0669","0.0703","","","","","","1.15","","","","has coordinates","250830","2020-10-21","18:00:00",""
"7240313","11.839","0.003","12.878","0.003","12.889","0.003","77.337","0.008","70.373","0.007","87.128","0.008","1805.3","0.8","298.14","","298.14","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 Co2 Ho2 N28 O13 -","- C60 H66 Co2 Ho2 N28 O13 -","- C60 H66 Co2 Ho2 N28 O13 -","1","0.5","","Wang, Ruirui; Wang, Haili; Wang, Juan; Bai, Feifei; Ma, Yue; Li, Licun; Wang, Qinglun; Zhao, Bin; Cheng, Peng","The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d‒4f heterometallic compounds","CrystEngComm","2020","","","","","10.1039/D0CE00039F","","","0.71073","MoKα","","0.0614","0.0468","","","0.0964","0.1019","","","","","","1.149","","","","has coordinates","250830","2020-10-21","18:00:00",""
"7240314","11.8312","0.001","12.9358","0.0011","12.9377","0.0011","77.643","0.003","87.27","0.003","70.613","0.003","1823.9","0.3","297","","297","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 Fe2 N28 O13 Tb2 -","- C60 H66 Fe2 N28 O13 Tb2 -","- C60 H66 Fe2 N28 O13 Tb2 -","1","0.5","","Wang, Ruirui; Wang, Haili; Wang, Juan; Bai, Feifei; Ma, Yue; Li, Licun; Wang, Qinglun; Zhao, Bin; Cheng, Peng","The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d‒4f heterometallic compounds","CrystEngComm","2020","","","","","10.1039/D0CE00039F","","","0.71073","MoKα","","0.0686","0.0537","","","0.1017","0.1073","","","","","","1.144","","","","has coordinates","250830","2020-10-21","18:00:00",""
"7240315","11.856","0.0009","12.9142","0.0008","12.9156","0.0009","77.43","0.002","87.145","0.003","70.506","0.002","1818.9","0.2","299.37","","299.37","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 Fe2 Ho2 N28 O13 -","- C60 H66 Fe2 Ho2 N28 O13 -","- C60 H66 Fe2 Ho2 N28 O13 -","1","0.5","","Wang, Ruirui; Wang, Haili; Wang, Juan; Bai, Feifei; Ma, Yue; Li, Licun; Wang, Qinglun; Zhao, Bin; Cheng, Peng","The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d‒4f heterometallic compounds","CrystEngComm","2020","","","","","10.1039/D0CE00039F","","","0.71073","MoKα","","0.0682","0.053","","","0.0927","0.0989","","","","","","1.087","","","","has coordinates","250830","2020-10-21","18:00:00",""
"7240316","11.742","0.008","12.828","0.009","12.841","0.007","78.222","0.018","70.228","0.016","87.399","0.019","1781","2","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 Co2 N28 O13 Tb2 -","- C60 H66 Co2 N28 O13 Tb2 -","- C60 H66 Co2 N28 O13 Tb2 -","1","0.5","","Wang, Ruirui; Wang, Haili; Wang, Juan; Bai, Feifei; Ma, Yue; Li, Licun; Wang, Qinglun; Zhao, Bin; Cheng, Peng","The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d‒4f heterometallic compounds","CrystEngComm","2020","","","","","10.1039/D0CE00039F","","","0.71073","MoKα","","0.0729","0.07","","","0.1763","0.1799","","","","","","1.064","","","","has coordinates","250830","2020-10-21","18:00:00",""
"7240317","11.7703","0.0008","12.8448","0.0008","12.8648","0.0007","78.099","0.005","87.212","0.005","70.357","0.006","1792","0.2","122.65","0.1","122.65","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 Dy2 Fe2 N28 O13 -","- C60 H66 Dy2 Fe2 N28 O13 -","- C60 H66 Dy2 Fe2 N28 O13 -","1","0.5","","Wang, Ruirui; Wang, Haili; Wang, Juan; Bai, Feifei; Ma, Yue; Li, Licun; Wang, Qinglun; Zhao, Bin; Cheng, Peng","The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d‒4f heterometallic compounds","CrystEngComm","2020","","","","","10.1039/D0CE00039F","","","0.71073","MoKα","","0.0438","0.0363","","","0.0821","0.0859","","","","","","1.056","","","","has coordinates,has disorder","250830","2020-10-21","18:00:00",""
"7240318","18.629","0.003","5.2842","0.0008","22.841","0.004","90","","90","","90","","2248.5","0.6","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","(DL)-malic acid nicotinamide","(R, S)-2-hydroxysuccinic acid nicotinamide","","- C10 H12 N2 O6 -","- C10 H12 N2 O6 -","- C80 H96 N16 O48 -","8","2","","Scowen, Ian J.; Alomar, Taghrid Saad; Munshi, Tasnim; Seaton, Colin Cormack","Invitation to Submit: The Cambridge Structural Database Structural Similarity in Chiral-Achiral Multi-Component Crystals","CrystEngComm","2020","","","","","10.1039/D0CE00301H","","","0.71073","MoKα","","0.0631","0.0477","","","0.113","0.1197","","","","","","1.08","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7240319","4.7631","0.0002","8.8253","0.0004","10.662","0.0005","96.829","0.003","95.279","0.003","105.603","0.003","424.99","0.03","173","2","173","2","","","","","","","","4","P 1","P 1","1","L-malic acid nicotinamide","(R)-2-hydroxysuccinic acid nicotinamide","","- C16 H18 N4 O7 -","- C16 H18 N4 O7 -","- C16 H18 N4 O7 -","1","1","","Scowen, Ian J.; Alomar, Taghrid Saad; Munshi, Tasnim; Seaton, Colin Cormack","Invitation to Submit: The Cambridge Structural Database Structural Similarity in Chiral-Achiral Multi-Component Crystals","CrystEngComm","2020","","","","","10.1039/D0CE00301H","","","0.71073","MoKα","","0.0516","0.037","","","0.0845","0.0919","","","","","","1.021","","","","has coordinates,has disorder","250831","2020-10-21","18:00:00",""
"7240320","5.3395","0.0005","11.3914","0.0015","11.6131","0.0013","78.849","0.009","82.062","0.008","81.076","0.009","680.36","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","DL-phenyllactic acid isonicotinamide","(R,S)-2-hydroxy-3-phenylpropionic acid isonicotinamide","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C30 H32 N4 O8 -","2","1","","Scowen, Ian J.; Alomar, Taghrid Saad; Munshi, Tasnim; Seaton, Colin Cormack","Invitation to Submit: The Cambridge Structural Database Structural Similarity in Chiral-Achiral Multi-Component Crystals","CrystEngComm","2020","","","","","10.1039/D0CE00301H","","","0.71073","MoKα","","0.1038","0.0531","","","0.1298","0.1567","","","","","","0.79","","","","has coordinates","250831","2020-10-21","18:00:00",""
"7240321","5.304","0.0002","11.4994","0.0004","11.748","0.0005","80.398","0.003","81.767","0.003","82.135","0.003","694.52","0.05","173","2","173","2","","","","","","","","4","P 1","P 1","1","(L)-phenyllactic acid nictonamide","(S)-2hyrdoxy-3-phenylpropionic acid nicotinamide","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C30 H32 N4 O8 -","2","2","","Scowen, Ian J.; Alomar, Taghrid Saad; Munshi, Tasnim; Seaton, Colin Cormack","Invitation to Submit: The Cambridge Structural Database Structural Similarity in Chiral-Achiral Multi-Component Crystals","CrystEngComm","2020","","","","","10.1039/D0CE00301H","","","1.54178","CuKα","","0.0689","0.0528","","","0.1276","0.1415","","","","","","1.071","","","","has coordinates","250831","2020-10-21","18:00:00",""
"7240322","8.6847","0.0017","9.1876","0.0018","27.083","0.005","90","","90","","90","","2161","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C88 H88 N24 O16 -","8","1","","Zhang, Zhenfeng","An X-shaped cyano-carbonyl interaction on the polar surface of (cyanoacetyl)hydrazones","CrystEngComm","2020","","","","","10.1039/D0CE00359J","","","0.71073","MoKα","","0.0789","0.0436","","","0.1074","0.1278","","","","","","1.008","","","","has coordinates","250832","2020-10-21","18:00:00",""
"7240323","12.2","0.005","9.143","0.004","8.797","0.004","90","","102.02","0.008","90","","959.7","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","benzaldehyde (cyanoacetyl)hydrazone","2-cyano-N'-[(1E)-phenylmethylidene]acetohydrazide","","- C10 H9 N3 O -","- C10 H9 N3 O -","- C40 H36 N12 O4 -","4","1","","Zhang, Zhenfeng","An X-shaped cyano-carbonyl interaction on the polar surface of (cyanoacetyl)hydrazones","CrystEngComm","2020","","","","","10.1039/D0CE00359J","","","0.71073","MoKα","","0.0856","0.0433","","","0.0947","0.1124","","","","","","1.006","","","","has coordinates","250832","2020-10-21","18:00:00",""
"7240324","5.8958","0.0002","15.5043","0.0009","17.198","0.0006","90","","99.277","0.004","90","","1551.51","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 F3 N O3 -","- C19 H12 F3 N O3 -","- C76 H48 F12 N4 O12 -","4","1","","Shi, Lijun; Liu, Ying; Wang, Caixia; Yuan, Xinxin; Liu, Xiaobiao; Wu, Lulu; Pan, Zhenliang; Yu, Qicheng; Xu, Cuilian; Yang, Guoyu","Synthesis of 1-(β-coumarinyl)-1-(β-indolyl)trifluoroethanols through regioselective Friedel‒Crafts alkylation of indoles with β-(trifluoroacetyl)coumarins catalyzed by Sc(OTf)3","RSC Advances","2020","10","24","13929","13935","10.1039/D0RA01237H","","x-ray","1.54184","CuKα","","0.0725","0.0522","","","0.1273","0.1504","","","","","","1.002","","","","has coordinates","257966","2020-10-21","18:00:00",""
"7240325","22.171","0.001","8.6836","0.0003","32.4701","0.0014","90","","111.054","0.005","90","","5834","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 F3 N O5 -","- C27 H20 F3 N O5 -","- C216 H160 F24 N8 O40 -","8","1","","Shi, Lijun; Liu, Ying; Wang, Caixia; Yuan, Xinxin; Liu, Xiaobiao; Wu, Lulu; Pan, Zhenliang; Yu, Qicheng; Xu, Cuilian; Yang, Guoyu","Synthesis of 1-(β-coumarinyl)-1-(β-indolyl)trifluoroethanols through regioselective Friedel‒Crafts alkylation of indoles with β-(trifluoroacetyl)coumarins catalyzed by Sc(OTf)3","RSC Advances","2020","10","24","13929","13935","10.1039/D0RA01237H","","x-ray","1.54184","CuKα","","0.2465","0.2308","","","0.521","0.5449","","","","","","2.354","","","","has coordinates","257966","2020-10-21","18:00:00",""
"7240326","11.391","0.0008","18.0035","0.0013","11.849","0.001","90","","108.332","0.002","90","","2306.6","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N5 O4 Zn -","- C21 H29 N5 O4 Zn -","- C84 H116 N20 O16 Zn4 -","4","1","","Mondal, Ipsita; Basak, Tanmoy; Banerjee, Snehasis; Chattopadhyay, Shouvik","A theoretical insight on the rigid hydrogen-bonded network in the solid state structure of two zinc(ii) complexes and their strong fluorescence behaviors","CrystEngComm","2020","","","","","10.1039/D0CE00125B","","","0.71073","MoKα","","0.0481","0.0327","","","0.1","0.12","","","","","","1.148","","","","has coordinates","250872","2020-10-21","18:00:00",""
"7240327","11.3882","0.0012","17.9996","0.0019","11.8463","0.0015","90","","108.327","0.004","90","","2305.1","0.5","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N3 O4 S Zn -","- C22 H29 N3 O4 S Zn -","- C88 H116 N12 O16 S4 Zn4 -","4","1","","Mondal, Ipsita; Basak, Tanmoy; Banerjee, Snehasis; Chattopadhyay, Shouvik","A theoretical insight on the rigid hydrogen-bonded network in the solid state structure of two zinc(ii) complexes and their strong fluorescence behaviors","CrystEngComm","2020","","","","","10.1039/D0CE00125B","","","0.71073","MoKα","","0.0692","0.052","","","0.1605","0.1805","","","","","","1.139","","","","has coordinates","250872","2020-10-21","18:00:00",""
"7240328","7.3043","0.0005","8.8329","0.0006","9.7206","0.0007","65.294","0.003","70.106","0.003","79.466","0.003","535.14","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24 N6 Ni O12 -","- C12 H24 N6 Ni O12 -","- C12 H24 N6 Ni O12 -","1","0.5","","Halevi, Oded; Chen, Jingwei; Thangavel, Gurunathan; Morris, Samuel Alexander; Ben Uliel, Tal; Tischler, Yaakov Raphael; Lee, Pooi See; Magdassi, Shlomo","Synthesis through 3D printing: formation of 3D coordination polymers","RSC Advances","2020","10","25","14812","14817","10.1039/D0RA01887B","","","0.71073","MoKα","","0.0353","0.03","","","0.0819","0.0881","","","","","","1.076","","","","has coordinates","258069","2020-10-21","18:00:00",""
"7240329","8.2922","0.0006","9.4246","0.0007","12.9343","0.001","111.004","0.002","99.018","0.003","97.623","0.002","912.24","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(1-benzyl-4-(4-methoxyphenyl)-1H-1,2,3-triazol-5-yl)-2-oxoacetate","","- C20 H19 N3 O4 -","- C20 H19 N3 O4 -","- C40 H38 N6 O8 -","2","1","","Ahmed, Muhammad Naeem; Ansar, Khawaja Yasin; Aziz, Shahid; Khan, Saba; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Relevant π‒hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxo-acetate derivatives: Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE00335B","","","0.71073","MoKα","","0.0553","0.0456","","","0.1169","0.1259","","","","","","1.045","","","","has coordinates,has disorder","250907","2020-10-21","18:00:00",""
"7240330","28.5939","0.0014","7.5267","0.0004","19.389","0.0008","90","","121.964","0.001","90","","3540.2","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl 2-(1-benzyl-4-(4-flourophenyl)-1H-1,2,3-triazol-5-yl)-2-oxoacetate","","- C19 H16 F N3 O3 -","- C19 H16 F N3 O3 -","- C152 H128 F8 N24 O24 -","8","1","","Ahmed, Muhammad Naeem; Ansar, Khawaja Yasin; Aziz, Shahid; Khan, Saba; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Relevant π‒hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxo-acetate derivatives: Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE00335B","","","0.71073","MoKα","","0.089","0.0524","","","0.1365","0.1614","","","","","","1.043","","","","has coordinates,has disorder","250907","2020-10-21","18:00:00",""
"7240331","8.3157","0.0006","9.5082","0.0008","13.1245","0.001","68.898","0.004","86.538","0.004","85.332","0.004","964.38","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-(1-benzyl-4-(4-chlorophenyl)-1H-1,2,3-triazol-5-yl)-2-oxoacetate","","- C20 H18 Cl N3 O3 -","- C20 H18 Cl N3 O3 -","- C40 H36 Cl2 N6 O6 -","2","1","","Ahmed, Muhammad Naeem; Ansar, Khawaja Yasin; Aziz, Shahid; Khan, Saba; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Relevant π‒hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxo-acetate derivatives: Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE00335B","","","0.71073","MoKα","","0.0789","0.0569","","","0.1503","0.1683","","","","","","1.056","","","","has coordinates","250907","2020-10-21","18:00:00",""
"7240332","8.2517","0.0003","17.9945","0.0009","12.2748","0.0006","90","","99.877","0.002","90","","1795.61","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(1-(4-methylbenzyl)-4-phenyl-1H-1,2,3-triazol-5-yl)-2-oxoacetate","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C80 H76 N12 O12 -","4","1","","Ahmed, Muhammad Naeem; Ansar, Khawaja Yasin; Aziz, Shahid; Khan, Saba; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Relevant π‒hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxo-acetate derivatives: Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE00335B","","","0.71073","MoKα","","0.0796","0.0532","","","0.1483","0.1671","","","","","","1.044","","","","has coordinates","250907","2020-10-21","18:00:00",""
"7240333","7.2372","0.0011","12.786","0.0019","14.237","0.002","68.774","0.003","78.572","0.004","81.97","0.004","1200.4","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H12 Cl2 N4 O5 Zn -","- C24 H12 Cl2 N4 O5 Zn -","- C48 H24 Cl4 N8 O10 Zn2 -","2","1","","Hao, Pengfei; Zhu, Huihui; Pang, Yue; Shen, Junju; Fu, Yunlong","The impact of positional isomerism on electronic and photochromic properties of 1-D zinc-based naphthalene diimide coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00025F","","","0.71073","MoKα","","0.139","0.07","","","0.167","0.1936","","","","","","1.093","","","","has coordinates","250908","2020-10-21","18:00:00",""
"7240334","7.574","0.0008","12.2366","0.0012","15.0059","0.0015","90","","93.741","0.003","90","","1387.8","0.2","273","2","273","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H21 Cl2 N5 O5 Zn -","- C28 H21 Cl2 N5 O5 Zn -","- C56 H42 Cl4 N10 O10 Zn2 -","2","0.5","","Hao, Pengfei; Zhu, Huihui; Pang, Yue; Shen, Junju; Fu, Yunlong","The impact of positional isomerism on electronic and photochromic properties of 1-D zinc-based naphthalene diimide coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00025F","","","0.71073","MoKα","","0.0392","0.032","","","0.0839","0.0879","","","","","","1.046","","","","has coordinates","250908","2020-10-21","18:00:00",""
"7240335","20.337","0.003","10.3082","0.0006","19.214","0.002","90","","94.041","0.011","90","","4018","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 Cu F18 N2 O6 -","- C29 H30 Cu F18 N2 O6 -","- C116 H120 Cu4 F72 N8 O24 -","4","1","","Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran","Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids.","Physical chemistry chemical physics : PCCP","2020","22","20","11417","11430","10.1039/d0cp00024h","","","0.71073","MoKα","","0.1739","0.0891","","","0.2499","0.3279","","","","","","1.028","","","","has coordinates","253996","2020-10-21","18:00:00",""
"7240336","10.0639","0.0011","19.418","0.002","34.924","0.004","90","","90","","90","","6824.9","1.3","170","2","170.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H22 Cu F18 N2 O6 -","- C25 H22 Cu F18 N2 O6 -","- C200 H176 Cu8 F144 N16 O48 -","8","1","","Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran","Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids.","Physical chemistry chemical physics : PCCP","2020","22","20","11417","11430","10.1039/d0cp00024h","","","0.71073","MoKα","","0.0582","0.0539","","","0.1313","0.1339","","","","","","1.104","","","","has coordinates,has disorder","253996","2020-10-21","18:00:00",""
"7240337","105.18","0.02","14.433","0.003","20.46","0.005","90","","101.531","0.011","90","","30433","11","170","2","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H30 F18 N2 Ni O6 -","- C29 H30 F18 N2 Ni O6 -","- C928 H960 F576 N64 Ni32 O192 -","32","4","","Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran","Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids.","Physical chemistry chemical physics : PCCP","2020","22","20","11417","11430","10.1039/d0cp00024h","","","0.71073","MoKα","","0.1581","0.0969","","","0.2742","0.3297","","","","","","1.036","","","","has coordinates,has disorder","253996","2020-10-21","18:00:00",""
"7240338","107.271","0.005","14.8819","0.0007","20.6549","0.0009","90","","100.871","0.002","90","","32382","3","271","2","271","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H30 Co F18 N2 O6 -","- C29 H30 Co F18 N2 O6 -","- C928 H960 Co32 F576 N64 O192 -","32","4","","Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran","Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids.","Physical chemistry chemical physics : PCCP","2020","22","20","11417","11430","10.1039/d0cp00024h","","","0.71073","MoKα","","0.1426","0.1004","","","0.2381","0.263","","","","","","0.982","","","","has coordinates,has disorder","253996","2020-10-21","18:00:00",""
"7240339","19.1997","0.0011","7.7319","0.0004","16.5888","0.001","90","","95.914","0.005","90","","2449.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-{[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]sulfanyl}phenol","","- C12 H14 N2 O S -","- C12 H14 N2 O S -","- C96 H112 N16 O8 S8 -","8","1","","Akhmetova, Vnira R.; Akhmadiev, Nail S.; Abdullin, Marat F.; Dzhemileva, Lilya U.; D'yakonov, Vladimir A.","Synthesis of new N,N′-Pd(Pt) complexes based on sulfanyl pyrazoles, and investigation of their in vitro anticancer activity","RSC Advances","2020","10","26","15116","15123","10.1039/C9RA09783J","","x-ray","0.71073","MoKα","","0.0644","0.0461","","","0.118","0.1323","","","","","","1.041","","","","has coordinates","258035","2020-10-21","18:00:00",""
"7240340","14.3462","0.0009","8.6625","0.0004","15.5482","0.0008","90","","103.643","0.005","90","","1877.72","0.18","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N3 O4 S -","- C19 H23 N3 O4 S -","- C76 H92 N12 O16 S4 -","4","1","","Bhat, Ishtiyaq Ahmad; Ganie, Arshid A.; Dar, Aijaz A. A.","Achievement of enhanced solubility and improved optics in the molecular complexes based on sulfonate-pyridinium supramolecular synthon","CrystEngComm","2020","","","","","10.1039/D0CE00346H","","x-ray","0.71073","MoKα","","0.0688","0.0547","","","0.1302","0.1425","","","","","","1.041","","","","has coordinates","250961","2020-10-21","18:00:00",""
"7240341","10.7014","0.0003","16.4238","0.0002","17.7316","0.0004","90","","84.66","0.001","90","","3102.94","0.12","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H34 N4 O11 S2 -","- C31 H34 N4 O11 S2 -","- C124 H136 N16 O44 S8 -","4","0.5","","Bhat, Ishtiyaq Ahmad; Ganie, Arshid A.; Dar, Aijaz A. A.","Achievement of enhanced solubility and improved optics in the molecular complexes based on sulfonate-pyridinium supramolecular synthon","CrystEngComm","2020","","","","","10.1039/D0CE00346H","","","0.71073","MoKα","","0.0385","0.0348","","","0.0911","0.0941","","","","","","1.044","","","","has coordinates","250961","2020-10-21","18:00:00",""
"7240342","7.3522","0.0003","8.8174","0.0004","32.2124","0.0015","90","","95.683","0.004","90","","2077.98","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N3 O5 S -","- C23 H25 N3 O5 S -","- C92 H100 N12 O20 S4 -","4","1","","Bhat, Ishtiyaq Ahmad; Ganie, Arshid A.; Dar, Aijaz A. A.","Achievement of enhanced solubility and improved optics in the molecular complexes based on sulfonate-pyridinium supramolecular synthon","CrystEngComm","2020","","","","","10.1039/D0CE00346H","","","0.71073","MoKα","","0.0872","0.0575","","","0.1234","0.1496","","","","","","1.072","","","","has coordinates","250961","2020-10-21","18:00:00",""
"7240343","16.3837","0.0003","17.112","0.0004","13.3343","0.0003","90","","96.683","0.001","90","","3712.97","0.14","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 Cu N O13.75 -","- C12 H19 Cu N O13.75 -","- C96 H152 Cu8 N8 O110 -","8","1","","Tu, Jing; Chen, Hongjuan; Tian, Hongju; Yu, Xiangyong; Zheng, Baishu; Zhang, Shaowei; Ma, Pengtao","Temperature-Induced Structural Transformations Accompanied by Changes in Magnetic Properties of Two Copper Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00391C","","","0.71073","MoKα","","0.0929","0.0752","","","0.157","0.17","","","","","","1.17","","","","has coordinates,has disorder","250962","2020-10-21","18:00:00",""
"7240344","7.514","0.0004","9.0832","0.0005","11.5882","0.0007","73.946","0.002","89.605","0.002","87.875","0.002","759.54","0.07","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 Cu2 N O11 -","- C12 H13 Cu2 N O11 -","- C24 H26 Cu4 N2 O22 -","2","1","","Tu, Jing; Chen, Hongjuan; Tian, Hongju; Yu, Xiangyong; Zheng, Baishu; Zhang, Shaowei; Ma, Pengtao","Temperature-Induced Structural Transformations Accompanied by Changes in Magnetic Properties of Two Copper Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00391C","","","0.71073","MoKα","","0.0506","0.0374","","","0.0844","0.0929","","","","","","1.044","","","","has coordinates","250962","2020-10-21","18:00:00",""
"7240345","17.4385","0.0006","4.8748","0.0002","25.7168","0.0009","90","","90","","90","","2186.16","0.14","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","Chloroquinolin","3-((7-chloroquinolin-4-yl)oxy)propan-1-ol","","- C12 H12 Cl N O2 -","- C12 H12 Cl N O2 -","- C96 H96 Cl8 N8 O16 -","8","2","","Pereira Copetti, João Pedro; Salbego, Paulo Roberto dos Santos; Orlando, Tainára; Rosa, Jéssica Maria Luis; Fiss, Gabriela Fehn; Gomes de Oliveira, João Paulo; de Almeida Vasconcellos, Mário Luiz Araújo; Zanatta, Nilo; Bonacorso, Helio Gauze; Martins, Marcos A. P.","Substituent Effects in the Crystallization Mechanisms of 7-chloro-4-substituted-Quinolines","CrystEngComm","2020","","","","","10.1039/D0CE00214C","","","0.71073","MoKα","","0.0292","0.0266","","","0.0682","0.0696","","","","","","1.04","","","","has coordinates","250963","2020-10-21","18:00:00",""
"7240346","4.3139","0.0002","25.5732","0.0014","9.571","0.0005","90","","102.074","0.002","90","","1032.52","0.09","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","2-((7-chloroquinolin-4-yl)oxy)ethan-1-ol","2-((7-chloroquinolin-4-yl)oxy)ethan-1-ol","","- C11 H10 Cl N O2 -","- C11 H10 Cl N O2 -","- C44 H40 Cl4 N4 O8 -","4","2","","Pereira Copetti, João Pedro; Salbego, Paulo Roberto dos Santos; Orlando, Tainára; Rosa, Jéssica Maria Luis; Fiss, Gabriela Fehn; Gomes de Oliveira, João Paulo; de Almeida Vasconcellos, Mário Luiz Araújo; Zanatta, Nilo; Bonacorso, Helio Gauze; Martins, Marcos A. P.","Substituent Effects in the Crystallization Mechanisms of 7-chloro-4-substituted-Quinolines","CrystEngComm","2020","","","","","10.1039/D0CE00214C","","","0.71073","MoKα","","0.0624","0.0411","","","0.0786","0.0844","","","","","","1.021","","","","has coordinates","250963","2020-10-21","18:00:00",""
"7240347","4.5838","0.0002","14.8986","0.0007","14.9416","0.0007","90","","93.484","0.001","90","","1018.51","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","aminoquinolina","2-((7-chloroquinolin-4-yl)amino)ethanol","","- C11 H11 Cl N2 O -","- C11 H11 Cl N2 O -","- C44 H44 Cl4 N8 O4 -","4","1","","Pereira Copetti, João Pedro; Salbego, Paulo Roberto dos Santos; Orlando, Tainára; Rosa, Jéssica Maria Luis; Fiss, Gabriela Fehn; Gomes de Oliveira, João Paulo; de Almeida Vasconcellos, Mário Luiz Araújo; Zanatta, Nilo; Bonacorso, Helio Gauze; Martins, Marcos A. P.","Substituent Effects in the Crystallization Mechanisms of 7-chloro-4-substituted-Quinolines","CrystEngComm","2020","","","","","10.1039/D0CE00214C","","","0.56086","AgKα","","0.0434","0.0341","","","0.0953","0.1008","","","","","","1.045","","","","has coordinates","250963","2020-10-21","18:00:00",""
"7240348","8.8174","0.0005","10.8226","0.0008","15.236","0.0012","99.763","0.007","100.739","0.005","96.909","0.005","1390.35","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","4-bromobenzoate-tin-tetraiodoporphrin","","","- C58 H32 Br2 I4 N4 O4 Sn -","- C58 H32 Br2 I4 N4 O4 Sn -","- C58 H32 Br2 I4 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Grover, Vratta; Dhamija, Swati; Titi, Hatem M.; Patra, Ranjan","Computational insight into the halogen bonded self-assembly of hexa-coordinated metalloporphyrins.","Physical chemistry chemical physics : PCCP","2020","22","20","11558","11566","10.1039/d0cp00351d","","","0.71073","MoKα","","0.0941","0.0575","","","0.1512","0.1669","","","","","","1.052","","","","has coordinates,has disorder","253997","2020-10-21","18:00:00",""
"7240349","9.753","0.0002","10.7232","0.0002","15.0866","0.0003","99.562","0.001","103.457","0.002","93.415","0.002","1505.21","0.05","293","2","293","2","","","","","","","","7","P -1","-P 1","2","4-Chlorobenzoate-tin-tetraiodoporphrin","","","- C58 H32 Cl2 I4 N4 O4 Sn -","- C58 H32 Cl2 I4 N4 O4 Sn -","- C58 H32 Cl2 I4 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Grover, Vratta; Dhamija, Swati; Titi, Hatem M.; Patra, Ranjan","Computational insight into the halogen bonded self-assembly of hexa-coordinated metalloporphyrins.","Physical chemistry chemical physics : PCCP","2020","22","20","11558","11566","10.1039/d0cp00351d","","","0.71073","MoKα","","0.0517","0.0433","","","0.1155","0.1211","","","","","","1.078","","","","has coordinates","253997","2020-10-21","18:00:00",""
"7240350","10.0767","0.0001","20.4313","0.0001","13.8429","0.0001","90","","109.817","0.001","90","","2681.2","0.04","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 Bi -","- C36 H27 Bi -","- C144 H108 Bi4 -","4","1","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","1.54184","CuKα","","0.0269","0.0235","","","0.0568","0.0586","","","","","","1.082","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240351","15.1772","0.0005","6.7889","0.0003","19.209","0.0007","90","","99.773","0.003","90","","1950.51","0.13","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H21 Bi -","- C25 H21 Bi -","- C100 H84 Bi4 -","4","2","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","1.54184","CuKα","","0.0591","0.0533","","","0.1422","0.1489","","","","","","1.092","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240352","9.3194","0.0009","9.6034","0.0009","12.8339","0.0012","108.743","0.003","99.713","0.003","103.712","0.003","1018.57","0.17","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 Bi I -","- C24 H19 Bi I -","- C48 H38 Bi2 I2 -","2","1","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","0.71073","MoKα","","0.0545","0.0526","","","0.1411","0.1427","","","","","","1.087","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240353","9.4889","0.0009","9.9731","0.0009","14.6288","0.0013","102.42","0.003","93.506","0.003","92.701","0.003","1346.9","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 Bi2 I4 -","- C24 H18 Bi2 I4 -","- C48 H36 Bi4 I8 -","2","1","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","0.71073","MoKα","","0.0253","0.0241","","","0.0601","0.0609","","","","","","1.131","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240354","7.5467","0.0005","9.2977","0.0005","18.6372","0.0012","90","","94.936","0.006","90","","1302.87","0.14","293","7","293","7","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Bi Br2 -","- C12 H9 Bi Br2 -","- C48 H36 Bi4 Br8 -","4","1","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","0.71073","MoKα","","0.0536","0.039","","","0.0936","0.103","","","","","","1.076","","","","has coordinates,has disorder","253998","2020-10-21","18:00:00",""
"7240355","10.0086","0.0007","20.2781","0.0014","13.7772","0.001","90","","109.442","0.002","90","","2636.7","0.3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 Sb -","- C36 H27 Sb -","- C144 H108 Sb4 -","4","1","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","0.71073","MoKα","","0.0205","0.0187","","","0.0469","0.0481","","","","","","1.045","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240356","9.9115","0.0007","15.7922","0.0009","13.3369","0.0008","90","","107.717","0.007","90","","1988.5","0.2","115.7","1","115.7","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Bi Br -","- C24 H18 Bi Br -","- C96 H72 Bi4 Br4 -","4","1","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","0.71073","MoKα","","0.0447","0.031","","","0.0624","0.0675","","","","","","1.041","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240357","7.6237","0.0007","9.0462","0.0008","17.654","0.0017","90","","90","","90","","1217.52","0.19","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 Bi Cl2 -","- C12 H9 Bi Cl2 -","- C48 H36 Bi4 Cl8 -","4","1","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","0.71073","MoKα","","0.0224","0.0204","","","0.0449","0.0457","","","","","","0.818","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240358","9.9371","0.0003","11.3295","0.0004","17.9137","0.0006","78.588","0.001","86.69","0.001","78.695","0.001","1938.16","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 Bi Cl -","- C24 H18 Bi Cl -","- C96 H72 Bi4 Cl4 -","4","2","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","1.54178","CuKα","","0.0222","0.021","","","0.0521","0.0528","","","","","","1.09","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240359","29.004","0.004","37.698","0.006","4.4554","0.0007","90","","90","","90","","4871.5","1.3","273","2","273","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C224 H192 N32 O32 -","16","1","","Dhawa, Tanumoy; Hazra, Ananta; Barma, Arpita; Pal, Kunal; Karmakar, Parimal; Roy, Partha","4-Methyl-2,6-diformylphenol based biocompatible chemosensors for pH: discrimination between normal cells and cancer cells","RSC Advances","2020","10","26","15501","15513","10.1039/D0RA00754D","","","0.71073","MoKα","","0.1715","0.0919","","","0.1377","0.1637","","","","","","1.223","","","","has coordinates","258034","2020-10-21","18:00:00",""
"7240360","7.4213","0.001","4.2957","0.0005","19.13","0.003","90","","92.66","0.004","90","","609.2","0.14","273","2","273","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C28 H24 N4 O4 -","2","1","","Dhawa, Tanumoy; Hazra, Ananta; Barma, Arpita; Pal, Kunal; Karmakar, Parimal; Roy, Partha","4-Methyl-2,6-diformylphenol based biocompatible chemosensors for pH: discrimination between normal cells and cancer cells","RSC Advances","2020","10","26","15501","15513","10.1039/D0RA00754D","","","0.71073","MoKα","","0.0909","0.0616","","","0.1704","0.2011","","","","","","1.092","","","","has coordinates","258034","2020-10-21","18:00:00",""
"7240361","16.0432","0.0014","9.9874","0.0009","18.9604","0.0014","90","","101.956","0.008","90","","2972.1","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N4 O2 -","- C17 H14 N4 O2 -","- C136 H112 N32 O16 -","8","2","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Ahmed Arafa, Wael Abdelgayed","A facile, practical and metal-free microwave-assisted protocol for mono- and bis-[1,2,4]triazolo[1,5-a]pyridines synthesis utilizing 1-amino-2-imino-pyridine derivatives as versatile precursors","RSC Advances","2020","10","26","15554","15572","10.1039/D0RA02256J","","","0.71075","MoKα","","","0.0638","","","","0.2194","","","","","","1.041","","","","has coordinates","258033","2020-10-21","18:00:00",""
"7240362","8.9886","0.0008","12.8468","0.001","15.1372","0.0012","71.352","0.004","80.896","0.004","86.548","0.005","1635.2","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Hamada_GH180_18_11_18","","","- C19 H12 Cl N5 -","- C19 H12 Cl N5 -","- C76 H48 Cl4 N20 -","4","2","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Ahmed Arafa, Wael Abdelgayed","A facile, practical and metal-free microwave-assisted protocol for mono- and bis-[1,2,4]triazolo[1,5-a]pyridines synthesis utilizing 1-amino-2-imino-pyridine derivatives as versatile precursors","RSC Advances","2020","10","26","15554","15572","10.1039/D0RA02256J","","","1.54178","CuKα","","0.0565","0.0441","","","0.1321","0.1438","","","","","","1.598","","","","has coordinates","258033","2020-10-21","18:00:00",""
"7240363","7.653","0.011","6.928","0.009","32.82","0.04","90","","94.79","0.03","90","","1734","4","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Cl N4 -","- C21 H13 Cl N4 -","- C84 H52 Cl4 N16 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Ahmed Arafa, Wael Abdelgayed","A facile, practical and metal-free microwave-assisted protocol for mono- and bis-[1,2,4]triazolo[1,5-a]pyridines synthesis utilizing 1-amino-2-imino-pyridine derivatives as versatile precursors","RSC Advances","2020","10","26","15554","15572","10.1039/D0RA02256J","","","0.71075","MoKα","","","0.08","","","","0.2474","","","","","","1.018","","","","has coordinates","258033","2020-10-21","18:00:00",""
"7240364","13.8452","0.0019","7.5282","0.0011","30.459","0.004","90","","90","","90","","3174.7","0.8","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H11 Br N4 O2 -","- C16 H11 Br N4 O2 -","- C128 H88 Br8 N32 O16 -","8","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Ahmed Arafa, Wael Abdelgayed","A facile, practical and metal-free microwave-assisted protocol for mono- and bis-[1,2,4]triazolo[1,5-a]pyridines synthesis utilizing 1-amino-2-imino-pyridine derivatives as versatile precursors","RSC Advances","2020","10","26","15554","15572","10.1039/D0RA02256J","","","0.71075","MoKα","","","0.0807","","","","0.2489","","","","","","0.963","","","","has coordinates","258033","2020-10-21","18:00:00",""
"7240365","3.8851","0.0009","19.35","0.004","14.116","0.003","90","","95.964","0.007","90","","1055.5","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cl N3 -","- C12 H8 Cl N3 -","- C48 H32 Cl4 N12 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Ahmed Arafa, Wael Abdelgayed","A facile, practical and metal-free microwave-assisted protocol for mono- and bis-[1,2,4]triazolo[1,5-a]pyridines synthesis utilizing 1-amino-2-imino-pyridine derivatives as versatile precursors","RSC Advances","2020","10","26","15554","15572","10.1039/D0RA02256J","","","0.71075","MoKα","","","0.0782","","","","0.2332","","","","","","1.004","","","","has coordinates","258033","2020-10-21","18:00:00",""
"7240366","22.8101","0.0009","7.5155","0.0003","24.7196","0.0018","90","","90","","90","","4237.7","0.4","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H20 Cl N5 O2 -","- C23 H20 Cl N5 O2 -","- C184 H160 Cl8 N40 O16 -","8","2","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Ahmed Arafa, Wael Abdelgayed","A facile, practical and metal-free microwave-assisted protocol for mono- and bis-[1,2,4]triazolo[1,5-a]pyridines synthesis utilizing 1-amino-2-imino-pyridine derivatives as versatile precursors","RSC Advances","2020","10","26","15554","15572","10.1039/D0RA02256J","","","0.71075","MoKα","","","0.0428","","","","0.1294","","","","","","1.075","","","","has coordinates","258033","2020-10-21","18:00:00",""
"7240367","6.8569","0.0003","9.5546","0.0006","12.4049","0.0006","96.102","0.005","104.127","0.004","93.993","0.005","779.8","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 I N O -","- C18 H16 I N O -","- C36 H32 I2 N2 O2 -","2","1","","He, Xinrui; Zhao, Jian; Tan, Zeqing; Zhao, Jiaxin; Cheng, Xiao; Zhou, Chuanjian","Chalcone single crystals with red emission and photodimerization-triggered hopping behavior: the substituent effect and molecular packing effect","CrystEngComm","2020","","","","","10.1039/D0CE00404A","","x-ray","1.54184","CuKα","","0.0374","0.0306","","","0.0744","0.0811","","","","","","1.076","","","","has coordinates","250996","2020-10-21","18:00:00",""
"7240368","7.113","0.0002","7.7595","0.0003","20.7174","0.0005","98.092","0.002","98.334","0.002","95.893","0.003","1111.25","0.06","293","3","293","3","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 I N O -","- C28 H20 I N O -","- C56 H40 I2 N2 O2 -","2","1","","He, Xinrui; Zhao, Jian; Tan, Zeqing; Zhao, Jiaxin; Cheng, Xiao; Zhou, Chuanjian","Chalcone single crystals with red emission and photodimerization-triggered hopping behavior: the substituent effect and molecular packing effect","CrystEngComm","2020","","","","","10.1039/D0CE00404A","","x-ray","1.54184","CuKα","","0.0587","0.0499","","","0.1336","0.1414","","","","","","1.079","","","","has coordinates","250996","2020-10-21","18:00:00",""
"7240369","15.8711","0.0006","8.04111","0.00018","16.4342","0.0005","90","","117.058","0.004","90","","1867.79","0.12","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1'-Homo-N-2'-deoxy-alfa-adenosine","","- C11 H15 N5 O3 -","- C11 H15 N5 O3 -","- C66 H90 N30 O18 -","6","3","","Carnero, Alejandro; Martín-Nieves, Virginia; Sanghvi, Yogesh S.; Russel, Olivia O.; Bassit, Leda; Schinazi, Raymond F.; Fernández, Susana; Ferrero, Miguel","Novel 1′-homo-N-2′-deoxy-α-nucleosides: synthesis, characterization and biological activity","RSC Advances","2020","10","27","15815","15824","10.1039/D0RA03254A","","x-ray","1.54184","CuKα","","0.0485","0.0424","","","0.1102","0.1183","","","","","","1.037","","","","has coordinates","257988","2020-10-21","18:00:00",""
"7240370","8.6989","0.0011","10.7694","0.0015","15.0669","0.0017","90","","99.867","0.012","90","","1390.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Br2 N2 O3 -","- C11 H12 Br2 N2 O3 -","- C44 H48 Br8 N8 O12 -","4","1","","Popa, Marcel Mirel; Shova, Sergiu; Hrubaru, Madalina; Barbu, Loredana; Draghici, Constantin; Dumitrascu, Florea; Dumitrescu, Denisa E.","Introducing chirality in halogenated 3-arylsydnones and their corresponding 1-arylpyrazoles obtained by 1,3-dipolar cycloaddition","RSC Advances","2020","10","27","15656","15664","10.1039/D0RA02368J","","x-ray","0.71073","MoKα","","0.1174","0.075","","","0.1481","0.1788","","","","","","1.007","","","","has coordinates","257983","2020-10-21","18:00:00",""
"7240371","9.0273","0.0013","9.0598","0.0006","16.3781","0.0016","90","","100.771","0.013","90","","1315.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Br2 N2 O2 -","- C11 H10 Br2 N2 O2 -","- C44 H40 Br8 N8 O8 -","4","1","","Popa, Marcel Mirel; Shova, Sergiu; Hrubaru, Madalina; Barbu, Loredana; Draghici, Constantin; Dumitrascu, Florea; Dumitrescu, Denisa E.","Introducing chirality in halogenated 3-arylsydnones and their corresponding 1-arylpyrazoles obtained by 1,3-dipolar cycloaddition","RSC Advances","2020","10","27","15656","15664","10.1039/D0RA02368J","","x-ray","0.71073","MoKα","","0.0685","0.0385","","","0.0684","0.0786","","","","","","1.043","","","","has coordinates","257983","2020-10-21","18:00:00",""
"7240372","8.1295","0.0006","12.3462","0.0008","16.9591","0.0007","90","","98.285","0.005","90","","1684.39","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Br N2 O4 -","- C16 H17 Br N2 O4 -","- C64 H68 Br4 N8 O16 -","4","1","","Popa, Marcel Mirel; Shova, Sergiu; Hrubaru, Madalina; Barbu, Loredana; Draghici, Constantin; Dumitrascu, Florea; Dumitrescu, Denisa E.","Introducing chirality in halogenated 3-arylsydnones and their corresponding 1-arylpyrazoles obtained by 1,3-dipolar cycloaddition","RSC Advances","2020","10","27","15656","15664","10.1039/D0RA02368J","","x-ray","0.71073","MoKα","","0.0592","0.0387","","","0.0861","0.0955","","","","","","1.058","","","","has coordinates","257983","2020-10-21","18:00:00",""
"7240373","6.1269","0.0007","9.077","0.0012","17.366","0.002","79.554","0.004","84.737","0.004","81.243","0.005","936.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N O -","- C24 H23 N O -","- C48 H46 N2 O2 -","2","1","","Krishna Reddy, Singarajanahalli Mundarinti; Suresh, Pavithira; Thamotharan, Subbiah; Nanubolu, Jagadeesh Babu; Suresh, Surisetti; Selva Ganesan, Subramaniapillai","Substrate controlled, regioselective carbopalladation for the one-pot synthesis of C4-substituted tetrahydroisoquinoline analogues","RSC Advances","2020","10","27","15794","15799","10.1039/D0RA01539C","","","0.71073","MoKα","","0.0681","0.0466","","","0.1479","0.1672","","","","","","1.158","","","","has coordinates","257986","2020-10-21","18:00:00",""
"7240374","16.4079","0.0008","22.3318","0.001","43.2705","0.0019","90","","90","","90","","15855.1","1.3","120","2","120.01","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C72 H72 Cs4.5 Mo10 Na2.5 O110.5 P4 -","- C72 H72 Cs4.5 Mo10 Na2.5 O110.5 P4 -","- C288 H288 Cs18 Mo40 Na10 O442 P16 -","4","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.0469","0.0465","","","0.1306","0.131","","","","","","1.044","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240375","19.0337","0.0007","16.6107","0.0005","43.9445","0.0016","90","","93.491","0.002","90","","13867.8","0.8","120","2","119.98","","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C48 H60 Cs5.5 Mo10 Na6 O102 P4 -","- C48 H60 Cs5.5 Mo10 Na6 O102 P4 -","- C192 H240 Cs22 Mo40 Na24 O408 P16 -","4","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.0325","0.032","","","0.0904","0.0907","","","","","","1.034","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240376","16.3345","0.0007","43.377","0.0019","22.8979","0.0011","90","","93.6564","0.0018","90","","16191.1","1.3","150","2","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C144 H156 K11.5 Mo20 Na3 O239 P8 -","- C144 H156 K11.5 Mo20 Na3 O239 P8 -","- C288 H312 K23 Mo40 Na6 O478 P16 -","2","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.0551","0.0531","","","0.1458","0.1478","","","","","","1.028","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240377","44.727","0.003","17.6015","0.001","32.7474","0.0018","90","","92.424","0.002","90","","25758","3","120","2","119.95","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C96 H114 Mo20 Na23 O210.5 P8 -","- C96 H114 Mo20 Na23 O210.5 P8 -","- C384 H456 Mo80 Na92 O842 P32 -","4","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.053","0.0524","","","0.1406","0.1412","","","","","","1.032","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240378","36.048","0.002","16.1202","0.0009","47.517","0.003","90","","111.956","0.004","90","","25609","3","130","2","130.15","","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C96 H110 K20 Mo20 Na1.5 O193 P8 -","- C96 H110 K20 Mo20 Na1.5 O193 P8 -","- C384 H440 K80 Mo80 Na6 O772 P32 -","4","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.0454","0.0449","","","0.1223","0.1226","","","","","","1.067","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240379","16.2743","0.0014","23.885","0.002","23.974","0.002","100.808","0.003","95.617","0.003","91.227","0.003","9102.2","1.3","120","2","120.04","","","","","","","","","6","P 1","P 1","1","","","","- C168 H192 Mo20 Na17 O265 P8 -","- C168 H192 Mo20 Na17 O265 P8 -","- C168 H192 Mo20 Na17 O265 P8 -","1","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.068","0.0671","","","0.1833","0.1842","","","","","","1.037","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240380","16.4104","0.001","22.5164","0.0013","24.1911","0.0016","82.942","0.002","70.254","0.002","82.498","0.002","8311.3","0.9","150","2","150","","","","","","","","","6","P 1","P 1","1","","","","- C152 H183 Mo20 Na21 O266 P8 -","- C152 H183 Mo20 Na21 O266 P8 -","- C152 H183 Mo20 Na21 O266 P8 -","1","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.0427","0.042","","","0.1085","0.109","","","","","","1.033","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240381","12.8132","0.0006","14.3594","0.0007","15.7145","0.0007","101.9","0.001","92.764","0.001","115.578","0.001","2520.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H48 Ag8 F9 N O6 -","- C38 H48 Ag8 F9 N O6 -","- C76 H96 Ag16 F18 N2 O12 -","2","1","","Shi, Ju-Feng; Chen, Zhi-Jin; Zhang, Liu-Jie; Zhou, Kun; Ji, Jiu-Yu; Bi, Yan-Feng","A one-dimensional infinite silver alkynyl assembly [Ag8(CCtBu)5(CF3COO)3(CH3CN)]n: synthesis, crystal structure and properties","RSC Advances","2020","10","27","16045","16049","10.1039/D0RA01703E","","","0.71073","MoKα","","0.0336","0.0264","","","0.0612","0.0654","","","","","","1.024","","","","has coordinates,has disorder","257985","2020-10-21","18:00:00",""
"7240382","24.0649","0.0006","30.3771","0.0007","18.2553","0.0005","90","","90","","90","","13345","0.6","293","2","296","","","","","","","","","8","P n n a","-P 2a 2bc","52","","","","- C60 H96 Co3 F20 N30 O90 V2 W18 -","- C60 H40 Co3 F20 N30 O64 V2 W18 -","- C240 H160 Co12 F80 N120 O256 V8 W72 -","4","0.5","","Shen, Nan; Feng, Tian; Chang, Jun; Huang, Kunlin; Zhang, Zhi-Hui; Feng, Xuejun; Gu, Jiande; Chen, Sheng-Chun; He, Mingyang; Chen, Qun","An unprecedented cobalt(II)-containing Wells-Dawson-type tungstovanadate-based metal-organic framework as efficient catalyst for ring-opening polymerization of -caprolactone","CrystEngComm","2020","","","","","10.1039/D0CE00309C","","","0.71073","MoKα","","0.0782","0.0607","","","0.1607","0.1784","","","","","","1.02","","","","has coordinates","251113","2020-10-21","18:00:00",""
"7240383","7.8352","0.0006","8.9191","0.0007","9.4663","0.0007","111.55","0.007","107.076","0.007","100.662","0.006","555.34","0.09","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 F N2 O6 -","- C11 H9 F N2 O6 -","- C22 H18 F2 N4 O12 -","2","1","","Dai, Xia-Lin; Wu, Chao; Li, Jin-Hui; Liu, Lian-Chao; He, Xin; Lu, Tong-Bu; Chen, Jia-Mei","Modulating the solubility and pharmacokinetic property of 5-fluorouracil via cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00409J","","x-ray","1.54184","CuKα","","0.093","0.09","","","0.2227","0.2295","","","","","","1.023","","","","has coordinates","251114","2020-10-21","18:00:00",""
"7240384","7.2314","0.0004","9.9761","0.0006","10.2732","0.0005","103.754","0.005","102.275","0.005","108.186","0.005","650.04","0.07","150","10","150","10","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 F N2 O8 -","- C11 H13 F N2 O8 -","- C22 H26 F2 N4 O16 -","2","1","","Dai, Xia-Lin; Wu, Chao; Li, Jin-Hui; Liu, Lian-Chao; He, Xin; Lu, Tong-Bu; Chen, Jia-Mei","Modulating the solubility and pharmacokinetic property of 5-fluorouracil via cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00409J","","x-ray","1.54184","CuKα","","0.0484","0.0404","","","0.0988","0.1075","","","","","","1.097","","","","has coordinates","251114","2020-10-21","18:00:00",""
"7240385","9.5121","0.0004","5.5084","0.0003","21.2993","0.0008","90","","94.115","0.004","90","","1113.13","0.09","150","10","150","10","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 F N2 O6 -","- C11 H9 F N2 O6 -","- C44 H36 F4 N8 O24 -","4","1","","Dai, Xia-Lin; Wu, Chao; Li, Jin-Hui; Liu, Lian-Chao; He, Xin; Lu, Tong-Bu; Chen, Jia-Mei","Modulating the solubility and pharmacokinetic property of 5-fluorouracil via cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00409J","","x-ray","1.54178","CuKα","","0.0469","0.0393","","","0.106","0.1121","","","","","","1.131","","","","has coordinates","251114","2020-10-21","18:00:00",""
"7240386","12.0896","0.0001","13.6597","0.0002","17.8304","0.0002","90","","101.535","0.001","90","","2885.05","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Br2 Cu4 N9 O -","- C25 H25 Br2 Cu4 N9 O -","- C100 H100 Br8 Cu16 N36 O4 -","4","1","","Yang, Chih-Tung; Yang, Xiang-Kai; Hu, Ji-Hong; Lee, Wei-Te; Chen, Tsun-Ren; Wang, Chih-Chieh; Chen, Jhy-Der","One-dimensional chains based on linear tetranuclear copper(I) units: reversible structural transformation and luminescence change","CrystEngComm","2020","","","","","10.1039/D0CE00294A","","","0.71073","MoKα","","0.0926","0.0422","","","0.0906","0.1064","","","","","","1.024","","","","has coordinates","251115","2020-10-21","18:00:00",""
"7240387","7.0225","0.0001","8.3565","0.0002","11.6598","0.0002","87.609","0.001","79.128","0.001","72.938","0.001","642.31","0.02","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cu4 I2 N8 -","- C22 H18 Cu4 I2 N8 -","- C22 H18 Cu4 I2 N8 -","1","0.5","","Yang, Chih-Tung; Yang, Xiang-Kai; Hu, Ji-Hong; Lee, Wei-Te; Chen, Tsun-Ren; Wang, Chih-Chieh; Chen, Jhy-Der","One-dimensional chains based on linear tetranuclear copper(I) units: reversible structural transformation and luminescence change","CrystEngComm","2020","","","","","10.1039/D0CE00294A","","","0.71073","MoKα","","0.0405","0.0279","","","0.0525","0.0564","","","","","","1.061","","","","has coordinates","251115","2020-10-21","18:00:00",""
"7240388","8.876","0.0018","6.933","0.0014","18.664","0.004","90","","93.56","0.03","90","","1146.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 Cl2 Cu N2 O -","- C9 H12 Cl2 Cu N2 O -","- C36 H48 Cl8 Cu4 N8 O4 -","4","1","","Lee, Jaegyeong; Yoon, Minyoung; Lee, Hyosun; Nayab, Saira","Stereoselective polymerization of methyl methacrylate and rac-lactide mediated by iminomethylpyridine based Cu(ii) complexes","RSC Advances","2020","10","27","16209","16220","10.1039/D0RA00805B","","","0.63","synchrotron","","0.0612","0.0577","","","0.1719","0.1742","","","","","","1.139","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7240389","11.3629","0.0019","6.8532","0.0011","19.328","0.003","90","","104.988","0.004","90","","1453.9","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 Cl2 Cu N3 -","- C13 H19 Cl2 Cu N3 -","- C52 H76 Cl8 Cu4 N12 -","4","1","","Lee, Jaegyeong; Yoon, Minyoung; Lee, Hyosun; Nayab, Saira","Stereoselective polymerization of methyl methacrylate and rac-lactide mediated by iminomethylpyridine based Cu(ii) complexes","RSC Advances","2020","10","27","16209","16220","10.1039/D0RA00805B","","","0.71073","MoKα","","0.1051","0.0431","","","0.083","0.1178","","","","","","1.029","","","","has coordinates","257984","2020-10-21","18:00:00",""
"7240390","19.134","0.004","8.72","0.0017","7.476","0.0015","90","","93.41","0.03","90","","1245.2","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Cl2 Cu N2 O -","- C10 H14 Cl2 Cu N2 O -","- C40 H56 Cl8 Cu4 N8 O4 -","4","1","","Lee, Jaegyeong; Yoon, Minyoung; Lee, Hyosun; Nayab, Saira","Stereoselective polymerization of methyl methacrylate and rac-lactide mediated by iminomethylpyridine based Cu(ii) complexes","RSC Advances","2020","10","27","16209","16220","10.1039/D0RA00805B","","","0.61","synchrotron","","0.0449","0.0418","","","0.1191","0.1215","","","","","","1.101","","","","has coordinates","257984","2020-10-21","18:00:00",""
"7240391","7.255","0.0015","8.96","0.0018","11.553","0.002","96.81","0.03","102.83","0.03","113.02","0.03","656","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H17 Cl2 Cu N3 -","- C11 H17 Cl2 Cu N3 -","- C22 H34 Cl4 Cu2 N6 -","2","1","","Lee, Jaegyeong; Yoon, Minyoung; Lee, Hyosun; Nayab, Saira","Stereoselective polymerization of methyl methacrylate and rac-lactide mediated by iminomethylpyridine based Cu(ii) complexes","RSC Advances","2020","10","27","16209","16220","10.1039/D0RA00805B","","","0.61","synchrotron","","0.0676","0.0519","","","0.1399","0.1532","","","","","","1.086","","","","has coordinates","257984","2020-10-21","18:00:00",""
"7240392","19.99","0.004","16.865","0.003","18.965","0.003","90","","90.338","0.01","90","","6394","2","140","","140","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Ni(phpyNO)2(NCS)2]","","- C32 H34 N6 Ni O2 S2 -","- C32 H34 N6 Ni O2 S2 -","- C256 H272 N48 Ni8 O16 S16 -","8","2","","Kyoden, Yukiya; Ishida, Takayuki","An indication of spin-transition accompanied by an order-disorder structural transformation in [Ni(phpyNO)2(NCS)2] (phpyNO = tert-butyl 5-phenyl-2-pyridyl nitroxide)","RSC Advances","2020","10","27","16009","16015","10.1039/D0RA02041A","","","0.71073","MoKα","","0.2057","0.0997","","","0.1914","0.2298","","","","","","1.015","","","","has coordinates","257987","2020-10-21","18:00:00",""
"7240393","17.0732","0.0019","19.194","0.003","20.667","0.003","90","","90","","90","","6772.6","1.6","400","","400","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Ni(phpyNO)2(NCS)2]","","- C32 H34 N6 Ni O2 S2 -","- C32 H34 N6 Ni O2 S2 -","- C256 H272 N48 Ni8 O16 S16 -","8","1","","Kyoden, Yukiya; Ishida, Takayuki","An indication of spin-transition accompanied by an order-disorder structural transformation in [Ni(phpyNO)2(NCS)2] (phpyNO = tert-butyl 5-phenyl-2-pyridyl nitroxide)","RSC Advances","2020","10","27","16009","16015","10.1039/D0RA02041A","","","0.71073","MoKα","","0.1954","0.0698","","","0.1227","0.1563","","","","","","1.015","","","","has coordinates,has disorder","257987","2020-10-21","18:00:00",""
"7240394","6.816","0.0014","25.702","0.005","12.914","0.003","90","","92.384","0.004","90","","2260.4","0.8","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 B9 N2 O3.5 Ru -","- C15 H23 B9 N2 O3 Ru -","- C60 H92 B36 N8 O12 Ru4 -","4","1","","Teixeira, Ricardo G.; Marques, Fernanda; Robalo, M. Paula; Fontrodona, Xavier; Garcia, M. Helena; Geninatti Crich, Simonetta; Viñas, Clara; Valente, Andreia","Ruthenium carboranyl complexes with 2,2′-bipyridine derivatives for potential bimodal therapy application","RSC Advances","2020","10","28","16266","16276","10.1039/D0RA01522A","","","0.71073","MoKα","","0.0382","0.0332","","","0.0818","0.0846","","","","","","1.088","","","","has coordinates,has disorder","257960","2020-10-21","18:00:00",""
"7240395","12.589","0.002","11.463","0.002","14.575","0.002","90","","111.301","0.002","90","","1959.6","0.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 B9 N2 O Ru -","- C15 H23 B9 N2 O Ru -","- C60 H92 B36 N8 O4 Ru4 -","4","1","","Teixeira, Ricardo G.; Marques, Fernanda; Robalo, M. Paula; Fontrodona, Xavier; Garcia, M. Helena; Geninatti Crich, Simonetta; Viñas, Clara; Valente, Andreia","Ruthenium carboranyl complexes with 2,2′-bipyridine derivatives for potential bimodal therapy application","RSC Advances","2020","10","28","16266","16276","10.1039/D0RA01522A","","","0.71073","MoKα","","0.0389","0.0308","","","0.0745","0.0802","","","","","","1.031","","","","has coordinates","257960","2020-10-21","18:00:00",""
"7240396","5.8035","0.0006","12.8761","0.0015","13.1702","0.0013","66.778","0.004","82.336","0.005","86.696","0.005","896.34","0.17","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H38 O8 -","- C46 H38 O8 -","- C46 H38 O8 -","1","0.5","","Yu, Yu'e; Wang, Yuhao; Xu, Hai-Jun; Lu, Jing; Wang, Huaiwei; Li, Dacheng; Dou, Jianmin; Li, Yun-Wu; Wang, Suna","Dual-responsive luminescent sensors based on two Cd-MOFs: rare enhancement toward acac and quenching toward Cr2O72-","CrystEngComm","2020","","","","","10.1039/D0CE00405G","","","0.71073","MoKα","","0.0376","0.0342","","","0.0888","0.0914","","","","","","1.025","","","","has coordinates","251165","2020-10-21","18:00:00",""
"7240397","10.369","0.0009","10.4966","0.0009","15.0556","0.0013","101.026","0.002","95.922","0.001","96.615","0.001","1584.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 Cd N4 O9 -","- C31 H34 Cd N4 O9 -","- C62 H68 Cd2 N8 O18 -","2","1","","Yu, Yu'e; Wang, Yuhao; Xu, Hai-Jun; Lu, Jing; Wang, Huaiwei; Li, Dacheng; Dou, Jianmin; Li, Yun-Wu; Wang, Suna","Dual-responsive luminescent sensors based on two Cd-MOFs: rare enhancement toward acac and quenching toward Cr2O72-","CrystEngComm","2020","","","","","10.1039/D0CE00405G","","","0.71073","MoKα","","0.0669","0.0523","","","0.1365","0.1452","","","","","","0.983","","","","has coordinates","251165","2020-10-21","18:00:00",""
"7240398","9.8013","0.0012","10.0715","0.0012","11.7314","0.0014","91.3034","0.0015","91.6389","0.0014","111.561","0.0014","1075.9","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","5-chloro-2-iodo-1,3-bis{[4-trifluoromethyl)phenyl]ethynyl}benzene","","- C24 H10 Cl F6 I -","- C24 H10 Cl F6 I -","- C48 H20 Cl2 F12 I2 -","2","1","","Al-Zoubi, Raed M.; Al-Omari, Mothana K.; Al-Jammal, Walid K.; Ferguson, Michael J.","Palladium-catalyzed highly regioselective mono and double Sonogashira cross-coupling reactions of 5-substituted-1,2,3-triiodobenzene under ambient conditions","RSC Advances","2020","10","28","16366","16376","10.1039/D0RA01569E","","","0.71073","MoKα","","0.0441","0.0356","","","0.0967","0.1027","","","","","","1.05","","","","has coordinates","257961","2020-10-21","18:00:00",""
"7240399","12.1687","0.0008","4.3193","0.0003","27.7962","0.0017","90","","90.1567","0.0009","90","","1460.97","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-diiodo-3-{[4-(trifluoromethyl)phenyl]ethynyl}benzene","","- C15 H7 F3 I2 -","- C15 H7 F3 I2 -","- C60 H28 F12 I8 -","4","1","","Al-Zoubi, Raed M.; Al-Omari, Mothana K.; Al-Jammal, Walid K.; Ferguson, Michael J.","Palladium-catalyzed highly regioselective mono and double Sonogashira cross-coupling reactions of 5-substituted-1,2,3-triiodobenzene under ambient conditions","RSC Advances","2020","10","28","16366","16376","10.1039/D0RA01569E","","","0.71073","MoKα","","0.0281","0.025","","","0.0563","0.0575","","","","","","1.161","","","","has coordinates,has disorder","257961","2020-10-21","18:00:00",""
"7240400","8.4281","0.0005","9.5746","0.0005","11.4227","0.0006","72.6614","0.0008","71.6046","0.0007","64.6041","0.0007","775.78","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-chloro-1,2-diiodo-3-{[4-(trifluoromethyl)phenyl]ethynyl}benzene","","- C15 H6 Cl F3 I2 -","- C15 H6 Cl F3 I2 -","- C30 H12 Cl2 F6 I4 -","2","1","","Al-Zoubi, Raed M.; Al-Omari, Mothana K.; Al-Jammal, Walid K.; Ferguson, Michael J.","Palladium-catalyzed highly regioselective mono and double Sonogashira cross-coupling reactions of 5-substituted-1,2,3-triiodobenzene under ambient conditions","RSC Advances","2020","10","28","16366","16376","10.1039/D0RA01569E","","","0.71073","MoKα","","0.0207","0.018","","","0.0414","0.0426","","","","","","1.021","","","","has coordinates,has disorder","257961","2020-10-21","18:00:00",""
"7240401","4.1529","0.00008","11.4859","0.0002","30.5943","0.0006","90","","90","","90","","1459.34","0.05","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-fluoro-1,2-diiodo-3-[(4-methoxyphenyl)ethynyl]benzene","","- C15 H9 F I2 O -","- C15 H9 F I2 O -","- C60 H36 F4 I8 O4 -","4","1","","Al-Zoubi, Raed M.; Al-Omari, Mothana K.; Al-Jammal, Walid K.; Ferguson, Michael J.","Palladium-catalyzed highly regioselective mono and double Sonogashira cross-coupling reactions of 5-substituted-1,2,3-triiodobenzene under ambient conditions","RSC Advances","2020","10","28","16366","16376","10.1039/D0RA01569E","","","1.54178","CuKα","","0.015","0.0149","","","0.0379","0.038","","","","","","1.112","","","","has coordinates","257961","2020-10-21","18:00:00",""
"7240402","7.53409","0.00009","7.53409","0.00009","42.4001","0.0005","90","","90","","90","","2406.74","0.05","294","2","294","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H28 Cl N3 O3 S -","- C24 H28 Cl N3 O3 S -","- C96 H112 Cl4 N12 O12 S4 -","4","1","","Bhandari, Sonal; Sana, Sravani; Lahoti, Vandana; Tokala, Ramya; Shankaraiah, Nagula","Ring-opening cyclization of activated spiro-aziridine oxindoles with heteroarenes: a facile synthetic approach to spiro-oxindole-fused pyrroloindolines","RSC Advances","2020","10","27","16101","16109","10.1039/D0RA00684J","","","0.71073","MoKα","","0.113","0.0689","","","0.1226","0.1363","","","","","","1.086","","","","has coordinates","257989","2020-10-21","18:00:00",""
"7240403","6.593","0.0005","17.391","0.0013","6.667","0.0004","90","","96.506","0.002","90","","759.51","0.09","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 K N3 O5 -","- C4 H4 K N3 O5 -","- C16 H16 K4 N12 O20 -","4","1","","Yang, Zhen-Li; Qin, Jian; Yang , Jun- Qing; Zhang, Jianguo","Synthesis and investigation alkaline energetic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylic acid for green component of pyrotechnic","CrystEngComm","2020","","","","","10.1039/D0CE00317D","","","0.71073","MoKα","","0.0585","0.0434","","","0.1086","0.1168","","","","","","1.015","","","","has coordinates","251198","2020-10-21","18:00:00",""
"7240404","8.5165","0.0007","10.349","0.0009","7.679","0.0006","90","","98.841","0.002","90","","668.76","0.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 N3 O4 Rb -","- C4 H2 N3 O4 Rb -","- C16 H8 N12 O16 Rb4 -","4","1","","Yang, Zhen-Li; Qin, Jian; Yang , Jun- Qing; Zhang, Jianguo","Synthesis and investigation alkaline energetic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylic acid for green component of pyrotechnic","CrystEngComm","2020","","","","","10.1039/D0CE00317D","","","0.71073","MoKα","","0.0445","0.0337","","","0.0754","0.0785","","","","","","1.051","","","","has coordinates","251198","2020-10-21","18:00:00",""
"7240405","8.4707","0.0006","10.5631","0.0009","8.1634","0.0007","90","","97.822","0.001","90","","723.64","0.1","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 Cs N3 O4 -","- C4 H2 Cs N3 O4 -","- C16 H8 Cs4 N12 O16 -","4","1","","Yang, Zhen-Li; Qin, Jian; Yang , Jun- Qing; Zhang, Jianguo","Synthesis and investigation alkaline energetic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylic acid for green component of pyrotechnic","CrystEngComm","2020","","","","","10.1039/D0CE00317D","","","0.71073","MoKα","","0.1618","0.0944","","","0.2263","0.2655","","","","","","1.048","","","","has coordinates","251198","2020-10-21","18:00:00",""
"7240406","5.158","0.0004","8.074","0.0006","10.088","0.0008","68.653","0.001","77.889","0.001","85.133","0.002","382.57","0.05","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H12 Li2 N6 O12 -","- C8 H12 Li2 N6 O12 -","- C8 H12 Li2 N6 O12 -","1","0.5","","Yang, Zhen-Li; Qin, Jian; Yang , Jun- Qing; Zhang, Jianguo","Synthesis and investigation alkaline energetic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylic acid for green component of pyrotechnic","CrystEngComm","2020","","","","","10.1039/D0CE00317D","","","0.71073","MoKα","","0.0594","0.0493","","","0.1422","0.1504","","","","","","1.093","","","","has coordinates","251198","2020-10-21","18:00:00",""
"7240407","7.2918","0.0005","5.987","0.0004","36.209","0.002","90","","90","","90","","1580.74","0.17","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C92 H64 O8 -","4","1","","Kusakawa, Takumi; Goto, Takayuki; Hori, Akiko","Supramolecular association of M2+⋯π induced by different electrostatic properties using naphthyl substituted β-diketonate complexes (metal = Cu, Pd, Pt)","CrystEngComm","2020","","","","","10.1039/D0CE00416B","","","0.71073","MoKα","","0.0879","0.0741","","","0.2017","0.2197","","","","","","1.13","","","","has coordinates,has disorder","251199","2020-10-21","18:00:00",""
"7240408","15.8989","0.0017","6.0142","0.0006","17.7912","0.0019","90","","97.217","0.005","90","","1687.7","0.3","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H30 O4 Pt -","- C46 H30 O4 Pt -","- C92 H60 O8 Pt2 -","2","0.5","","Kusakawa, Takumi; Goto, Takayuki; Hori, Akiko","Supramolecular association of M2+⋯π induced by different electrostatic properties using naphthyl substituted β-diketonate complexes (metal = Cu, Pd, Pt)","CrystEngComm","2020","","","","","10.1039/D0CE00416B","","","0.71073","MoKα","","0.0962","0.0458","","","0.0728","0.0912","","","","","","1.032","","","","has coordinates","251199","2020-10-21","18:00:00",""
"7240409","13.093","0.007","5.92","0.004","21.808","0.012","90","","102.07","0.011","90","","1653","1.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H30 Cu O4 -","- C46 H30 Cu O4 -","- C92 H60 Cu2 O8 -","2","0.5","","Kusakawa, Takumi; Goto, Takayuki; Hori, Akiko","Supramolecular association of M2+⋯π induced by different electrostatic properties using naphthyl substituted β-diketonate complexes (metal = Cu, Pd, Pt)","CrystEngComm","2020","","","","","10.1039/D0CE00416B","","","0.71073","MoKα","","0.0792","0.0452","","","0.0891","0.1048","","","","","","1.078","","","","has coordinates","251199","2020-10-21","18:00:00",""
"7240410","35.924","0.006","6.0389","0.0011","16.287","0.003","90","","109.919","0.005","90","","3321.9","1","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H30 O4 Pd -","- C46 H30 O4 Pd -","- C184 H120 O16 Pd4 -","4","0.5","","Kusakawa, Takumi; Goto, Takayuki; Hori, Akiko","Supramolecular association of M2+⋯π induced by different electrostatic properties using naphthyl substituted β-diketonate complexes (metal = Cu, Pd, Pt)","CrystEngComm","2020","","","","","10.1039/D0CE00416B","","","0.71073","MoKα","","0.0816","0.0453","","","0.091","0.1095","","","","","","1.046","","","","has coordinates","251199","2020-10-21","18:00:00",""
"7240411","6.0178","0.0013","10.934","0.002","22.509","0.005","90","","95.035","0.004","90","","1475.3","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Hwang, Kuo Chu","Visible light-induced aerobic oxidation of diarylalkynes to α-diketones catalyzed by copper-superoxo at room temperature","Green Chemistry","2020","22","14","4426","4432","10.1039/D0GC00975J","","","0.71073","MoKα","","0.0571","0.0452","","","0.1197","0.1278","","","","","","1.055","","","","has coordinates","257606","2020-10-21","18:00:00",""
"7240412","8.3601","0.0007","8.3601","0.0007","13.3968","0.0012","90","","90","","120","","810.88","0.12","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C14 H10 O2 -","- C14 H10 O2 -","- C42 H30 O6 -","3","0.5","","Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Hwang, Kuo Chu","Visible light-induced aerobic oxidation of diarylalkynes to α-diketones catalyzed by copper-superoxo at room temperature","Green Chemistry","2020","22","14","4426","4432","10.1039/D0GC00975J","","","0.71073","MoKα","","0.0313","0.0295","","","0.0685","0.0695","","","","","","1.105","","","","has coordinates","257606","2020-10-21","18:00:00",""
"7240413","19.711","0.002","7.4314","0.0009","20.568","0.002","90","","90","","90","","3012.8","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H15 N O -","- C21 H15 N O -","- C168 H120 N8 O8 -","8","1","","Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Hwang, Kuo Chu","Visible light-induced aerobic oxidation of diarylalkynes to α-diketones catalyzed by copper-superoxo at room temperature","Green Chemistry","2020","22","14","4426","4432","10.1039/D0GC00975J","","","0.71073","MoKα","","0.1048","0.0611","","","0.1553","0.2427","","","","","","1.156","","","","has coordinates","257606","2020-10-21","18:00:00",""
"7240414","23.502","0.002","3.9358","0.0003","15.1235","0.0012","90","","105.082","0.002","90","","1350.72","0.19","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 O4 -","- C17.024 H14 O4 -","- C68.096 H56 O16 -","4","0.5","","Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Hwang, Kuo Chu","Visible light-induced aerobic oxidation of diarylalkynes to α-diketones catalyzed by copper-superoxo at room temperature","Green Chemistry","2020","22","14","4426","4432","10.1039/D0GC00975J","","","0.71073","MoKα","","0.0537","0.0379","","","0.0865","0.0944","","","","","","1.044","","","","has coordinates,has disorder","257606","2020-10-21","18:00:00",""
"7240415","9.3322","0.0005","10.0321","0.0005","11.8425","0.0006","95.845","0.002","105.956","0.002","109.513","0.002","981.56","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 N2 O2 S -","- C23 H22 N2 O2 S -","- C46 H44 N4 O4 S2 -","2","1","","Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Hwang, Kuo Chu","Visible light-induced aerobic oxidation of diarylalkynes to α-diketones catalyzed by copper-superoxo at room temperature","Green Chemistry","2020","22","14","4426","4432","10.1039/D0GC00975J","","","0.71073","MoKα","","0.0566","0.0397","","","0.1006","0.1081","","","","","","1.139","","","","has coordinates","257606","2020-10-21","18:00:00",""
"7240416","8.2958","0.0008","7.8128","0.0007","14.5059","0.0016","90","","98.757","0.003","90","","929.22","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 F O2 -","- C11 H9 F O2 -","- C44 H36 F4 O8 -","4","1","","Zhang, Zhipeng; Yu, Yang; Xie, Yuxing; Hughes, Timothy; Xu, Jun; Huang, Fei; Huang, He","Catalytic C‒C coupling of diazo compounds with arylboronic acids: using surface modified sewage sludge as catalyst","Green Chemistry","2020","22","13","4165","4173","10.1039/D0GC00317D","","","0.71073","MoKα","","0.0586","0.0487","","","0.1343","0.1458","","","","","","1.031","","","","has coordinates","257603","2020-10-21","18:00:00",""
"7240417","19.6366","0.0009","21.2636","0.0011","11.5383","0.0006","90","","101.743","0.002","90","","4716.9","0.4","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H10 F6 N2 O7 Tb -","- C24 H10 F6 N2 O7 Tb -","- C192 H80 F48 N16 O56 Tb8 -","8","1","","Yu, Hai-Huan; Chi, Jia-Qi; Su, Zhong-Min; Li, Xiao; Sun, Jing; Zhou, Chen; Hu, Xiao-Li; Liu, Qun","A water-stable terbium metal-organic framework with functionalized ligands for the detection of Fe3+, Cr2O72- ions in water and picric acid in seawater","CrystEngComm","2020","","","","","10.1039/D0CE00430H","","x-ray","0.71073","MoKα","","0.0368","0.0292","","","0.0691","0.0731","","","","","","1.042","","","","has coordinates","251252","2020-10-21","18:00:00",""
"7240418","21.824","0.006","22.95","0.006","14.977","0.004","90","","90","","90","","7501","3","173","2","173","2","","","","","","","","5","F m m 2","F 2 -2","42","","","","- C24 H16 Cu2 N4 O10 -","- C24 H16 Cu2 N4 O10 -","- C192 H128 Cu16 N32 O80 -","8","0.5","","He, Cheng; Hou, Chao; Wang, Yumin; Gong, Xue Yong; Jiang, Hong Li; Sun, YongBin; Liu, Kun; Cao, Xiao Qun","Open metal sites(OMSs) and Lewis basic sites(LBSs) -functionalized copper-organic framework with high CO2 uptake performance and highly selective CO2/N2 and CO2/CH4 separation","CrystEngComm","2020","","","","","10.1039/C9CE02005E","","","0.71073","MoKα","","0.0656","0.0637","","","0.185","0.1864","","","","","","1.11","","","","has coordinates,has disorder","251253","2020-10-21","18:00:00",""
"7240419","12.632","0.003","16.415","0.003","20.567","0.004","90","","90","","90","","4264.7","1.5","113","2","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10.5 H15 N12 O16.5 -","- C10.5 H15 N12 O16.5 -","- C84 H120 N96 O132 -","8","2","","Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping","Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms","CrystEngComm","2020","","","","","10.1039/D0CE00059K","","","0.71073","MoKα","","0.052","0.0426","","","0.0864","0.0918","","","","","","0.989","","","","has coordinates","251254","2020-10-21","18:00:00",""
"7240420","13.344","0.003","8.2595","0.0017","24.392","0.005","90","","103.25","0.03","90","","2616.8","1","113","2","113.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H24 N14 O14 -","- C14 H24 N14 O14 -","- C56 H96 N56 O56 -","4","2","","Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping","Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms","CrystEngComm","2020","","","","","10.1039/D0CE00059K","","","0.71073","MoKα","","0.0785","0.0591","","","0.1434","0.1552","","","","","","1","","","","has coordinates,has disorder","251254","2020-10-21","18:00:00",""
"7240421","16.135","0.003","12.819","0.003","20.762","0.004","90","","90","","90","","4294.3","1.5","113","2","113.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H16 N12 O16 S -","- C10 H16 N12 O16 S -","- C80 H128 N96 O128 S8 -","8","1","","Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping","Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms","CrystEngComm","2020","","","","","10.1039/D0CE00059K","","","0.71073","MoKα","","0.067","0.0611","","","0.1842","0.1905","","","","","","1.066","","","","has coordinates","251254","2020-10-21","18:00:00",""
"7240422","7.9666","0.0016","18.078","0.004","15.915","0.003","90","","96.91","0.03","90","","2275.4","0.8","113","2","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N12 O16 -","- C12 H16 N12 O16 -","- C48 H64 N48 O64 -","4","1","","Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping","Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms","CrystEngComm","2020","","","","","10.1039/D0CE00059K","","","0.71073","MoKα","","0.0624","0.0443","","","0.101","0.1111","","","","","","1.027","","","","has coordinates","251254","2020-10-21","18:00:00",""
"7240423","16.618","0.003","13.005","0.003","21.332","0.004","90","","90","","90","","4610.2","1.6","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 N12 O12 -","- C6 H6 N12 O12 -","- C48 H48 N96 O96 -","8","1","","Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping","Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms","CrystEngComm","2020","","","","","10.1039/D0CE00059K","","","0.71073","MoKα","","0.1601","0.1404","","","0.3255","0.339","","","","","","1.101","","","","has coordinates","251254","2020-10-21","18:00:00",""
"7240424","15.3768","0.0015","4.5578","0.0005","19.4729","0.0019","90","","99.697","0.005","90","","1345.2","0.2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-(benzyloxy)-3-ethoxybenzaldehyde","3-ethoxy-2-(phenylmethoxy)benzaldehyde","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","","Hulushe, Siya T.; Manyeruke, Meloddy H.; Louzada, Marcel; Rigin, Sergei; Hosten, Eric C.; Watkins, Gareth M.","Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses","RSC Advances","2020","10","29","16861","16874","10.1039/C9RA10752E","","","0.71073","MoKα","","0.1308","0.0625","","","0.1444","0.1769","","","","","","1.023","","","","has coordinates","257956","2020-10-21","18:00:00",""
"7240425","7.316","0.004","13.239","0.01","12.3","0.008","90","","100.36","0.03","90","","1171.9","1.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(benzyloxy)-5-bromobenzaldehyde","5-bromo-2-(phenylmethoxy)benzaldehyde","","- C14 H11 Br O2 -","- C14 H11 Br O2 -","- C56 H44 Br4 O8 -","4","1","","Hulushe, Siya T.; Manyeruke, Meloddy H.; Louzada, Marcel; Rigin, Sergei; Hosten, Eric C.; Watkins, Gareth M.","Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses","RSC Advances","2020","10","29","16861","16874","10.1039/C9RA10752E","","","0.71073","MoKα","","0.0387","0.0263","","","0.0576","0.0618","","","","","","1.047","","","","has coordinates","257956","2020-10-21","18:00:00",""
"7240426","4.9219","0.0002","16.3089","0.0006","14.7245","0.0005","90","","99.171","0.002","90","","1166.84","0.08","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(benzyloxy)-5-chlorobenzaldehyde","5-chloro-2-(phenylmethoxy)benzaldehyde","","- C14 H11 Cl O2 -","- C14 H11 Cl O2 -","- C56 H44 Cl4 O8 -","4","1","","Hulushe, Siya T.; Manyeruke, Meloddy H.; Louzada, Marcel; Rigin, Sergei; Hosten, Eric C.; Watkins, Gareth M.","Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses","RSC Advances","2020","10","29","16861","16874","10.1039/C9RA10752E","","","0.71073","MoKα","","0.0457","0.0337","","","0.0824","0.088","","","","","","1.046","","","","has coordinates","257956","2020-10-21","18:00:00",""
"7240427","11.5088","0.0005","12.9889","0.0006","7.2608","0.0004","90","","90","","90","","1085.39","0.09","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","4-(benzyloxy)benzaldehyde","4-(phenylmethoxybenzaldehyde","","- C14 H12 O2 -","- C14 H12 O2 -","- C56 H48 O8 -","4","1","","Hulushe, Siya T.; Manyeruke, Meloddy H.; Louzada, Marcel; Rigin, Sergei; Hosten, Eric C.; Watkins, Gareth M.","Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses","RSC Advances","2020","10","29","16861","16874","10.1039/C9RA10752E","","","0.71073","MoKα","","0.0315","0.0295","","","0.08","0.0822","","","","","","1.047","","","","has coordinates","257956","2020-10-21","18:00:00",""
"7240428","7.711","0.0004","7.9405","0.0004","9.1857","0.0005","65.896","0.002","85.99","0.002","70.155","0.002","481.36","0.04","200","2","200","2","","","","","","","","3","P -1","-P 1","2","3-methoxy-2-(prop-2-ynyloxy)benzaldehyde","3-methoxy-2-(prop-2-ynoxy)benzaldehyde","","- C11 H10 O3 -","- C11 H10 O3 -","- C22 H20 O6 -","2","1","","Hulushe, Siya T.; Manyeruke, Meloddy H.; Louzada, Marcel; Rigin, Sergei; Hosten, Eric C.; Watkins, Gareth M.","Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses","RSC Advances","2020","10","29","16861","16874","10.1039/C9RA10752E","","","0.71073","MoKα","","0.0456","0.0366","","","0.0951","0.1024","","","","","","1.045","","","","has coordinates","257956","2020-10-21","18:00:00",""
"7240429","4.0992","0.0002","17.1619","0.0007","18.9382","0.0008","90","","90","","90","","1332.3","0.1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-(benzyloxy)-3,5-dibromobenzaldehyde","3,5-dibromo-2-(phenylmethoxy)benzaldehyde","","- C14 H10 Br2 O2 -","- C14 H10 Br2 O2 -","- C56 H40 Br8 O8 -","4","1","","Hulushe, Siya T.; Manyeruke, Meloddy H.; Louzada, Marcel; Rigin, Sergei; Hosten, Eric C.; Watkins, Gareth M.","Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses","RSC Advances","2020","10","29","16861","16874","10.1039/C9RA10752E","","","0.71073","MoKα","","0.0276","0.0218","","","0.0458","0.0472","","","","","","1.042","","","","has coordinates","257956","2020-10-21","18:00:00",""
"7240430","12.4202","0.0006","7.851","0.0004","24.3664","0.0012","90","","98.614","0.003","90","","2349.2","0.2","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20.5 N3 O6 -","- C24 H20.5 N3 O6 -","- C96 H82 N12 O24 -","4","1","","Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong","Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism","CrystEngComm","2020","","","","","10.1039/D0CE00204F","","","1.54178","","","0.0869","0.0723","","","0.2161","0.235","","","","","","1.059","","","","has coordinates,has disorder","251338","2020-10-21","18:00:00",""
"7240431","12.408","0.004","7.7207","0.0014","24.595","0.005","90","","99.138","0.016","90","","2326.3","1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22.79 H18.58 Cl1.58 N3 O5 -","- C22.789 H18.578 Cl1.578 N3 O5 -","- C91.156 H74.312 Cl6.312 N12 O20 -","4","1","","Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong","Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism","CrystEngComm","2020","","","","","10.1039/D0CE00204F","","","1.54178","CuKα","","0.1181","0.088","","","0.1869","0.2045","","","","","","1.114","","","","has coordinates,has disorder","251338","2020-10-21","18:00:00",""
"7240432","30.1704","0.0017","7.7664","0.0004","24.4219","0.0014","90","","123.587","0.003","90","","4767","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 Cl3 N3 O5 -","- C23 H18 Cl3 N3 O5 -","- C184 H144 Cl24 N24 O40 -","8","1","","Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong","Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism","CrystEngComm","2020","","","","","10.1039/D0CE00204F","","","1.54178","CuKα","","0.1379","0.0805","","","0.1841","0.2213","","","","","","1.046","","","","has coordinates,has disorder","251338","2020-10-21","18:00:00",""
"7240433","12.3314","0.0006","7.873","0.0004","24.6987","0.0011","90","","99.463","0.002","90","","2365.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N3 O6 -","- C26 H21 N3 O6 -","- C104 H84 N12 O24 -","4","1","","Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong","Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism","CrystEngComm","2020","","","","","10.1039/D0CE00204F","","","1.54178","CuKα","","0.0719","0.0505","","","0.1269","0.1419","","","","","","1.053","","","","has coordinates,has disorder","251338","2020-10-21","18:00:00",""
"7240434","12.5159","0.0006","7.7861","0.0005","24.3482","0.001","90","","96.499","0.004","90","","2357.5","0.2","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N3 O7 -","- C25 H22 N3 O7 -","- C100 H88 N12 O28 -","4","1","","Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong","Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism","CrystEngComm","2020","","","","","10.1039/D0CE00204F","","","1.54178","","","0.0921","0.0681","","","0.183","0.2066","","","","","","1.047","","","","has coordinates,has disorder","251338","2020-10-21","18:00:00",""
"7240435","12.379","0.0006","7.8469","0.0003","24.9711","0.0011","90","","100.568","0.003","90","","2384.47","0.18","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24.01 H21.02 Cl2.01 N3 O5 -","- C24.01 H21.02 Cl2.01 N3 O5 -","- C96.04 H84.08 Cl8.04 N12 O20 -","4","1","","Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong","Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism","CrystEngComm","2020","","","","","10.1039/D0CE00204F","","","1.54178","CuKα","","0.1701","0.1356","","","0.36","0.3902","","","","","","1.422","","","","has coordinates,has disorder","251338","2020-10-21","18:00:00",""
"7240436","16.9444","0.0013","9.1089","0.0007","17.4069","0.0014","90","","114.184","0.0017","90","","2450.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dicarbonyl(4-pyridylethynyl)(η^5^-cyclopentadienyl)iron","","- C14 H9 Fe N O2 -","- C14 H9 Fe N O2 -","- C112 H72 Fe8 N8 O16 -","8","1","","Verpekin, Victor V.; Semeikin, Oleg V.; Vasiliev, Alexander D.; Kondrasenko, Alexander A.; Belousov, Yuri A.; Ustynyuk, Nikolai A.","Catalyzed M‒C coupling reactions in the synthesis of σ-(pyridylethynyl)dicarbonylcyclopentadienyliron complexes","RSC Advances","2020","10","29","17014","17025","10.1039/D0RA02333G","","","0.71073","MoKα","","0.0709","0.0523","","","0.1134","0.1221","","","","","","1.083","","","","has coordinates","257957","2020-10-21","18:00:00",""
"7240437","9.4258","0.0005","9.5785","0.0005","13.833","0.0007","90","","109.534","0.001","90","","1177.03","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","dicarbonyl(3-pyridylethynyl)(η^5^-cyclopentadienyl)iron","","- C14 H9 Fe N O2 -","- C14 H9 Fe N O2 -","- C56 H36 Fe4 N4 O8 -","4","1","","Verpekin, Victor V.; Semeikin, Oleg V.; Vasiliev, Alexander D.; Kondrasenko, Alexander A.; Belousov, Yuri A.; Ustynyuk, Nikolai A.","Catalyzed M‒C coupling reactions in the synthesis of σ-(pyridylethynyl)dicarbonylcyclopentadienyliron complexes","RSC Advances","2020","10","29","17014","17025","10.1039/D0RA02333G","","","0.71073","MoKα","","0.0612","0.0395","","","0.0798","0.0895","","","","","","1.046","","","","has coordinates","257957","2020-10-21","18:00:00",""
"7240438","9.4756","0.0002","9.7388","0.0002","13.6391","0.0003","90","","108.834","0.001","90","","1191.24","0.04","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","dicarbonyl(2-pyridylethynyl)(η^5^-cyclopentadienyl)iron","","- C14 H9 Fe N O2 -","- C14 H9 Fe N O2 -","- C56 H36 Fe4 N4 O8 -","4","1","","Verpekin, Victor V.; Semeikin, Oleg V.; Vasiliev, Alexander D.; Kondrasenko, Alexander A.; Belousov, Yuri A.; Ustynyuk, Nikolai A.","Catalyzed M‒C coupling reactions in the synthesis of σ-(pyridylethynyl)dicarbonylcyclopentadienyliron complexes","RSC Advances","2020","10","29","17014","17025","10.1039/D0RA02333G","","","0.71073","MoKα","","0.044","0.031","","","0.0751","0.0821","","","","","","1.049","","","","has coordinates","257957","2020-10-21","18:00:00",""
"7240439","6.4302","0.0005","11.8451","0.001","17.9823","0.0015","90","","93.765","0.002","90","","1366.69","0.19","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 Fe N2 O2 S -","- C15 H8 Fe N2 O2 S -","- C60 H32 Fe4 N8 O8 S4 -","4","1","","Verpekin, Victor V.; Semeikin, Oleg V.; Vasiliev, Alexander D.; Kondrasenko, Alexander A.; Belousov, Yuri A.; Ustynyuk, Nikolai A.","Catalyzed M‒C coupling reactions in the synthesis of σ-(pyridylethynyl)dicarbonylcyclopentadienyliron complexes","RSC Advances","2020","10","29","17014","17025","10.1039/D0RA02333G","","","0.71073","MoKα","","0.0738","0.0496","","","0.0996","0.1087","","","","","","1.076","","","","has coordinates","257957","2020-10-21","18:00:00",""
"7240440","9.14","0.0009","12.8784","0.0012","19.5628","0.0019","90","","95.859","0.011","90","","2290.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Mn N2 O6 -","- C23 H27 Mn N2 O6 -","- C92 H108 Mn4 N8 O24 -","4","1","","Rayati, Saeed; Khodaei, Elham; Nafarieh, Parinaz; Jafarian, Majid; Elmi, Bahareh; Wojtczak, Andrzej","A manganese(iii) Schiff base complex immobilized on silica-coated magnetic nanoparticles showing enhanced electrochemical catalytic performance toward sulfide and alkene oxidation","RSC Advances","2020","10","29","17026","17036","10.1039/D0RA02728F","","","0.71073","MoKα","","0.0591","0.0418","","","0.0949","0.102","","","","","","1.055","","","","has coordinates","257959","2020-10-21","18:00:00",""
"7240441","20.2031","0.0008","20.2031","0.0008","13.2367","0.0007","90","","90","","90","","5402.8","0.4","293","2","293.15","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C36 H30 N2 -","- C36 H30 N2 -","- C288 H240 N16 -","8","0.5","","Zhang, Hua; Zhan, Xiao-Yu; Dong, Yu; Yang, Jian; He, Shuai; Shi, Zhi-Chuan; Zhang, Xiao-Mei; Wang, Ji-Yu","Dehydration in water: frustrated Lewis pairs directly catalyzed allylization of electron-rich arenes and allyl alcohols","RSC Advances","2020","10","29","16942","16948","10.1039/D0RA02912B","","x-ray","0.71073","MoKα","","0.1507","0.0756","","","0.2006","0.2523","","","","","","1.069","","","","has coordinates","257958","2020-10-21","18:00:00",""
"7240442","13.7508","0.0009","5.6719","0.0004","26.3268","0.0015","90","","97.603","0.005","90","","2035.3","0.2","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N3 -","- C27 H21 N3 -","- C108 H84 N12 -","4","1","","Zhang, Hua; Zhan, Xiao-Yu; Dong, Yu; Yang, Jian; He, Shuai; Shi, Zhi-Chuan; Zhang, Xiao-Mei; Wang, Ji-Yu","Dehydration in water: frustrated Lewis pairs directly catalyzed allylization of electron-rich arenes and allyl alcohols","RSC Advances","2020","10","29","16942","16948","10.1039/D0RA02912B","","x-ray","0.71073","MoKα","","0.0781","0.0514","","","0.1046","0.1173","","","","","","1.018","","","","has coordinates","257958","2020-10-21","18:00:00",""
"7240443","38.544","0.004","5.1102","0.0009","11.6487","0.0018","90","","90","","90","","2294.4","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H11 N O4 S -","- C11 H11 N O4 S -","- C88 H88 N8 O32 S8 -","8","2","","Hadian, Mojgan; Shaabani, Shabnam; Patil, Pravin; Shishkina, Svitlana V.; Böltz, Harry; Dömling, Alexander","Sustainability by design: automated nanoscale 2,3,4-trisubstituted quinazoline diversity","Green Chemistry","2020","22","8","2459","2467","10.1039/D0GC00363H","","","0.71073","MoKα","","0.1406","0.0712","","","0.1668","0.2128","","","","","","0.934","","","","has coordinates","257582","2020-10-21","18:00:00",""
"7240444","20.486","0.002","3.9298","0.0004","13.6374","0.0012","90","","90","","90","","1097.89","0.18","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C44 H44 N4 O20 -","4","1","","Hadian, Mojgan; Shaabani, Shabnam; Patil, Pravin; Shishkina, Svitlana V.; Böltz, Harry; Dömling, Alexander","Sustainability by design: automated nanoscale 2,3,4-trisubstituted quinazoline diversity","Green Chemistry","2020","22","8","2459","2467","10.1039/D0GC00363H","","","0.71073","MoKα","","0.0852","0.0542","","","0.1367","0.1603","","","","","","1.004","","","","has coordinates","257582","2020-10-21","18:00:00",""
"7240445","11.864","0.003","11.162","0.003","13.889","0.005","90","","99.31","0.03","90","","1815","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N3 O3 -","- C19 H23 N3 O3 -","- C76 H92 N12 O12 -","4","1","","Hadian, Mojgan; Shaabani, Shabnam; Patil, Pravin; Shishkina, Svitlana V.; Böltz, Harry; Dömling, Alexander","Sustainability by design: automated nanoscale 2,3,4-trisubstituted quinazoline diversity","Green Chemistry","2020","22","8","2459","2467","10.1039/D0GC00363H","","","0.71073","MoKα","","0.2181","0.0746","","","0.1287","0.1705","","","","","","0.884","","","","has coordinates","257582","2020-10-21","18:00:00",""
"7240446","20.522","0.005","3.8101","0.0012","26.193","0.008","90","","102.39","0.03","90","","2000.4","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 N O4 -","- C11 H9 N O4 -","- C88 H72 N8 O32 -","8","1","","Hadian, Mojgan; Shaabani, Shabnam; Patil, Pravin; Shishkina, Svitlana V.; Böltz, Harry; Dömling, Alexander","Sustainability by design: automated nanoscale 2,3,4-trisubstituted quinazoline diversity","Green Chemistry","2020","22","8","2459","2467","10.1039/D0GC00363H","","","0.71073","MoKα","","0.2002","0.0758","","","0.1904","0.247","","","","","","0.858","","","","has coordinates","257582","2020-10-21","18:00:00",""
"7240447","11.0926","0.0006","14.8423","0.0008","25.6676","0.0014","90","","90","","90","","4225.9","0.4","104","2","104","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 N4 O5 S -","- C20 H22 N4 O5 S -","- C160 H176 N32 O40 S8 -","8","1","","Ahuja, Dipali; Svärd, Michael; Lusi, Matteo; Rasmuson, Ake","Solution and calorimetric thermodynamic study of a new 1:1 sulfamethazine ‒ 3- methylsalicylic acid co-crystal","CrystEngComm","2020","","","","","10.1039/D0CE00498G","","","0.71076","MoKα","","0.0726","0.0535","","","0.1113","0.1183","","","","","","1.159","","","","has coordinates","251516","2020-10-21","18:00:00",""
"7240448","12.925","0.001","12.925","0.001","7.9339","0.0007","90","","90","","120","","1147.83","0.16","300","","300","","","","","","","","","4","P -3","-P 3","147","K-PreAFY","","","- Al6 K6 O41.38 P8 -","- Al6 K6 O41.38 P8 -","- Al6 K6 O41.38 P8 -","1","0.166667","","Maeda, Kazuyuki; Wakui, Kentaro; Arakawa, Kyosuke; Kondo, Atsushi","First Preparation of Microporous AFY-type MeAPO by Topotactic Pillaring of Lamellar Aluminophosphate Precursor","CrystEngComm","2020","","","","","10.1039/D0CE00644K","powder diffraction","","0.7994","synchrotron","","0.00859","","","","","","0.00851","0.01792","6.4863","","","","","","","has coordinates","251517","2020-10-21","18:00:00",""
"7240449","9.3207","0.0008","10.8786","0.0012","14.8658","0.001","95.037","0.007","96.282","0.006","100.049","0.008","1466.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H35 N O5 -","- C35 H35 N O5 -","- C70 H70 N2 O10 -","2","1","","Ma, Xiao-Pan; Nong, Cai-Mei; Liang, Yu-Feng; Xu, Pei-Pei; Guo, Xiu-Yun; Liang, Cui; Pan, Cheng-Xue; Su, Gui-Fa; Mo, Dong-Liang","An Yb(OTf)3 and visible light relay catalyzed [3 + 2] cycloaddition/[3,3]-rearrangement/[4 + 2] cycloaddition in one pot to prepare oxazonine-fused endoperoxides","Green Chemistry","2020","22","12","3827","3834","10.1039/D0GC00929F","","","0.71073","MoKα","","0.1101","0.0581","","","0.1216","0.1575","","","","","","1.057","","","","has coordinates","257622","2020-10-21","18:00:00",""
"7240450","7.8002","0.0003","7.8688","0.0003","11.9165","0.0005","106.389","0.001","91.057","0.001","93.117","0.001","700.22","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- H13 N9 O10 Pd Ru -","- H13 N9 O10 Pd Ru -","- H26 N18 O20 Pd2 Ru2 -","2","1","","Kostin, Gennadiy; Filatov, Evgeny; Pishchur, Denis P.; Kuratieva, Natalia; Korenev, Sergey","Phase transformations in a double complex salt of ruthenium nitrosyl anion with tetraamine-palladium cation","CrystEngComm","2020","","","","","10.1039/D0CE00441C","","x-ray","0.71073","MoKα","","0.0343","0.0243","","","0.0598","0.0645","","","","","","1.064","","","","has coordinates","251789","2020-10-21","18:00:00",""
"7240451","7.851","0.002","7.792","0.002","12.456","0.003","90","","105.148","0.007","90","","735.5","0.3","383","2","383","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- H13 N9 O10 Pd Ru -","- H13 N9 O10 Pd Ru -","- H26 N18 O20 Pd2 Ru2 -","2","0.5","","Kostin, Gennadiy; Filatov, Evgeny; Pishchur, Denis P.; Kuratieva, Natalia; Korenev, Sergey","Phase transformations in a double complex salt of ruthenium nitrosyl anion with tetraamine-palladium cation","CrystEngComm","2020","","","","","10.1039/D0CE00441C","","x-ray","0.71073","MoKα","","0.0681","0.0522","","","0.0977","0.1048","","","","","","1.152","","","","has coordinates,has disorder","251789","2020-10-21","18:00:00",""
"7240452","8.4228","0.0003","10.2975","0.0003","21.9679","0.0006","90","","90","","90","","1905.36","0.1","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C8 H30 Br N4 O11 Pd S -","- C8 H30 Br N4 O11 Pd S -","- C32 H120 Br4 N16 O44 Pd4 S4 -","4","1","","Mian, Mohammad Rasel; Afrin, Unjila; Iguchi, Hiroaki; Takaishi, Shinya; Yoshida, Takefumi; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-ichi; Yamashita, Masahiro","Conductive zigzag Pd(III)‒Br chain complex realized by multiple-hydrogen-bond approach","CrystEngComm","2020","","","","","10.1039/D0CE00332H","","","0.71073","MoKα","","0.0299","0.0255","","","0.0508","0.0519","","","","","","1.039","","","","has coordinates","251790","2020-10-21","18:00:00",""
"7240453","8.4228","0.0003","10.2975","0.0003","21.9679","0.0006","90","","90","","90","","1905.36","0.1","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C8 H30 Br N4 O11 Pd S -","- C8 H30 Br N4 O11 Pd S -","- C32 H120 Br4 N16 O44 Pd4 S4 -","4","1","","Wang, Mengdie; Zhang, Jian; Sun, Yun-Kai; Wei, Jing; Tan, Chunhong; Wang, Xiao-Feng","Ligand modulated the variable binuclear Cd2-SBU and structures of four layered coordination frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00513D","","","0.71073","MoKα","","0.0299","0.0255","","","0.0508","0.0519","","","","","","1.039","","","","has coordinates","251791","2020-10-21","18:00:00",""
"7240454","11.9592","0.0003","12.7479","0.0002","31.1058","0.0006","90","","108.827","0.001","90","","4488.5","0.16","333","","333","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H56 Bi2 Cl10 N4 -","- C24 H56 Bi2 Cl10 N4 -","- C96 H224 Bi8 Cl40 N16 -","4","1","","Wang, Yuyin; Han, Shiguo; Liu, Xitao; Wu, Zhenyue; Sun, Zhihua; Dey, Dhananjay; Li, Yaobin; Luo, Junhua","Exploring a lead-free organic‒inorganic semiconducting hybrid with above-room-temperature dielectric phase transition","RSC Advances","2020","10","30","17492","17496","10.1039/C9RA09289G","","x-ray","0.71073","MoKα","","0.0781","0.04","","","0.0849","0.1006","","","","","","1.038","","","","has coordinates,has disorder","258099","2020-10-21","18:00:00",""
"7240455","11.9718","0.0004","12.4092","0.0004","15.839","0.0006","76.474","0.001","69.245","0.001","89.323","0.001","2132.77","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H56 Bi2 Cl10 N4 -","- C24 H56 Bi2 Cl10 N4 -","- C48 H112 Bi4 Cl20 N8 -","2","1","","Wang, Yuyin; Han, Shiguo; Liu, Xitao; Wu, Zhenyue; Sun, Zhihua; Dey, Dhananjay; Li, Yaobin; Luo, Junhua","Exploring a lead-free organic‒inorganic semiconducting hybrid with above-room-temperature dielectric phase transition","RSC Advances","2020","10","30","17492","17496","10.1039/C9RA09289G","","","0.71073","MoKα","","0.0671","0.052","","","0.1444","0.1556","","","","","","1.047","","","","has coordinates","258099","2020-10-21","18:00:00",""
"7240456","9.017","0.003","9.118","0.003","9.594","0.003","90","","95.676","0.013","90","","784.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C4 I N O S3 -","- C4 I N O S3 -","- C16 I4 N4 O4 S12 -","4","1","","Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique","Halogen bonded metal bis(dithiolene) 2D frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00512F","","x-ray","0.71073","MoKα","","0.0843","0.0521","","","0.1214","0.1477","","","","","","1.091","","","","has coordinates","251826","2020-10-21","18:00:00",""
"7240457","15.9488","0.0017","12.5276","0.0012","16.2505","0.0018","90","","92.452","0.006","90","","3243.9","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 I2 N3 Ni S6 -","- C22 H36 I2 N3 Ni S6 -","- C88 H144 I8 N12 Ni4 S24 -","4","0.5","","Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique","Halogen bonded metal bis(dithiolene) 2D frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00512F","","x-ray","0.71073","MoKα","","0.1443","0.0562","","","0.1314","0.1621","","","","","","0.983","","","","has coordinates,has disorder","251826","2020-10-21","18:00:00",""
"7240458","15.6439","0.001","12.2704","0.0008","16.6152","0.0011","90","","93.368","0.003","90","","3183.9","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 Au I2 N3 S6 -","- C22 H36 Au I2 N3 S6 -","- C88 H144 Au4 I8 N12 S24 -","4","0.5","","Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique","Halogen bonded metal bis(dithiolene) 2D frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00512F","","x-ray","0.71073","MoKα","","0.0773","0.0671","","","0.1651","0.1765","","","","","","1.034","","","","has coordinates","251826","2020-10-21","18:00:00",""
"7240459","11.1817","0.0005","13.2215","0.0005","11.5412","0.0004","90","","91.649","0.002","90","","1705.53","0.12","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H36 Au I2 N3 S6 -","- C22 H36 Au I2 N3 S6 -","- C44 H72 Au2 I4 N6 S12 -","2","1","","Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique","Halogen bonded metal bis(dithiolene) 2D frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00512F","","x-ray","0.71073","MoKα","","0.0831","0.0509","","","0.0946","0.1078","","","","","","1.028","","","","has coordinates","251826","2020-10-21","18:00:00",""
"7240460","3.9123","0.0002","16.5922","0.0011","9.7464","0.0005","90","","98.329","0.003","90","","626","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H N O S3 -","- C4 H N O S3 -","- C16 H4 N4 O4 S12 -","4","1","","Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique","Halogen bonded metal bis(dithiolene) 2D frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00512F","","x-ray","0.71073","MoKα","","0.0485","0.0377","","","0.0763","0.0805","","","","","","1.09","","","","has coordinates","251826","2020-10-21","18:00:00",""
"7240461","22.684","0.0006","22.684","0.0006","22.684","0.0006","90","","90","","90","","11672.4","0.5","293","2","293","2","","","","","","","","5","P -4 3 m","P -4 2 3","215","ZIF-76 mbIm","Zn(Im)1.20(ClFbIm)0.80","","- C240 H220.8 N96 O8 Zn24 -","- C10.079 H5.58 N4 O0.333333 Zn -","- C241.896 H133.92 N96 O8 Zn24 -","24","1","","Bumstead, Alice M.; Gómez, María Laura Ríos; Thorne, Michael Francis; Sapnik, Adam F.; Longley, Louis; Tuffnell, Joshua Mark; Keeble, Dean S.; Keen, David A.; Bennett, Thomas Douglas","Investigating the Melting Behaviour of Polymorphic Zeolitic Imidazolate Frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00408A","","","1.54184","CuKα","","0.1424","0.1156","","","0.2989","0.3534","","","","","","1.365","","","","has coordinates,has disorder","251827","2020-10-21","18:00:00",""
"7240462","5.4015","0.0006","11.0987","0.0011","13.6141","0.0017","90","","97.202","0.012","90","","809.72","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl 2,6-diaminobenzoate","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","1","","Wallis, John D.; Garner, Alun Christopher; Yang, Songjie","N-H···O Hydrogen Bonding to the Alkoxy Oxygen of a Carboxylic Ester Group: Crystal Structures of Methyl 2,6-Diaminobenzoate and Its Derivatives.","CrystEngComm","2020","","","","","10.1039/D0CE00495B","","x-ray","0.71073","MoKα","","0.0579","0.0453","","","0.1038","0.1101","","","","","","1.06","","","","has coordinates","251828","2020-10-21","18:00:00",""
"7240463","9.7212","0.0003","35.4733","0.0012","26.2238","0.001","90","","97.36","0.003","90","","8968.6","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-tosylamino-6-aminobenzoate","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C360 H384 N48 O96 S24 -","24","6","","Wallis, John D.; Garner, Alun Christopher; Yang, Songjie","N-H···O Hydrogen Bonding to the Alkoxy Oxygen of a Carboxylic Ester Group: Crystal Structures of Methyl 2,6-Diaminobenzoate and Its Derivatives.","CrystEngComm","2020","","","","","10.1039/D0CE00495B","","x-ray","0.71073","MoKα","","0.1213","0.0625","","","0.1317","0.158","","","","","","1.024","","","","has coordinates","251828","2020-10-21","18:00:00",""
"7240464","7.1001","0.0004","10.8475","0.0007","16.4165","0.0011","90","","94.379","0.006","90","","1260.68","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Methyl2,6-dinitrobenzoate bis HBF4 salt","","- C8 H12 B2 F8 N2 O2 -","- C8 H12 B2 F8 N2 O2 -","- C32 H48 B8 F32 N8 O8 -","4","1","","Wallis, John D.; Garner, Alun Christopher; Yang, Songjie","N-H···O Hydrogen Bonding to the Alkoxy Oxygen of a Carboxylic Ester Group: Crystal Structures of Methyl 2,6-Diaminobenzoate and Its Derivatives.","CrystEngComm","2020","","","","","10.1039/D0CE00495B","","x-ray","0.71073","MoKα","","0.0625","0.044","","","0.0818","0.0884","","","","","","1.109","","","","has coordinates","251828","2020-10-21","18:00:00",""
"7240465","11.5169","0.0008","12.9904","0.001","15.2893","0.0009","67.212","0.006","77.44","0.005","77.991","0.006","2038.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Methyl 2,6-diaminobenzoate bis BPh3 complex bis acetontrile solvate","","- C48 H46 B2 N4 O2 -","- C48 H46 B2 N4 O2 -","- C96 H92 B4 N8 O4 -","2","1","","Wallis, John D.; Garner, Alun Christopher; Yang, Songjie","N-H···O Hydrogen Bonding to the Alkoxy Oxygen of a Carboxylic Ester Group: Crystal Structures of Methyl 2,6-Diaminobenzoate and Its Derivatives.","CrystEngComm","2020","","","","","10.1039/D0CE00495B","","x-ray","0.71073","MoKα","","0.1469","0.0721","","","0.145","0.1797","","","","","","1.043","","","","has coordinates","251828","2020-10-21","18:00:00",""
"7240466","7.1708","0.0002","17.5834","0.0006","14.7293","0.0005","90","","98.972","0.001","90","","1834.45","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Cl N3 O4 -","- C19 H22 Cl N3 O4 -","- C76 H88 Cl4 N12 O16 -","4","1","","Zhang, Guoshun; shang, xiaoqing; han, wei; zhang, lifeng; ren, guolian; Zhang, Shuqiu","Synthesis, Structural Characterization, Physicochemical Properties and Transformations of Dehydroevodiamine and Its Hydrochloride Salts","CrystEngComm","2020","","","","","10.1039/D0CE00136H","","","0.71073","MoKα","","0.0671","0.0468","","","0.1295","0.1451","","","","","","1.024","","","","has coordinates","251829","2020-10-21","18:00:00",""
"7240467","6.9435","0.0003","21.8674","0.0009","11.8018","0.0005","90","","99.86","0.001","90","","1765.47","0.13","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl N3 O2 -","- C20 H20 Cl N3 O2 -","- C80 H80 Cl4 N12 O8 -","4","1","","Zhang, Guoshun; shang, xiaoqing; han, wei; zhang, lifeng; ren, guolian; Zhang, Shuqiu","Synthesis, Structural Characterization, Physicochemical Properties and Transformations of Dehydroevodiamine and Its Hydrochloride Salts","CrystEngComm","2020","","","","","10.1039/D0CE00136H","","","0.71073","MoKα","","0.0645","0.0466","","","0.1141","0.1241","","","","","","1.026","","","","has coordinates","251829","2020-10-21","18:00:00",""
"7240468","6.917","0.0005","8.8668","0.0007","14.1791","0.0012","105.866","0.002","99.29","0.002","96.696","0.002","813.61","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C38 H34 N6 O4 -","2","1","","Zhang, Guoshun; shang, xiaoqing; han, wei; zhang, lifeng; ren, guolian; Zhang, Shuqiu","Synthesis, Structural Characterization, Physicochemical Properties and Transformations of Dehydroevodiamine and Its Hydrochloride Salts","CrystEngComm","2020","","","","","10.1039/D0CE00136H","","","0.71073","MoKα","","0.0757","0.0489","","","0.118","0.1332","","","","","","1.021","","","","has coordinates","251829","2020-10-21","18:00:00",""
"7240469","14.8763","0.0011","7.2318","0.0005","14.9535","0.0011","90","","102.805","0.002","90","","1568.7","0.2","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Cl N3 O -","- C19 H16 Cl N3 O -","- C76 H64 Cl4 N12 O4 -","4","1","","Zhang, Guoshun; shang, xiaoqing; han, wei; zhang, lifeng; ren, guolian; Zhang, Shuqiu","Synthesis, Structural Characterization, Physicochemical Properties and Transformations of Dehydroevodiamine and Its Hydrochloride Salts","CrystEngComm","2020","","","","","10.1039/D0CE00136H","","","0.71073","MoKα","","0.0753","0.0454","","","0.1129","0.1271","","","","","","1.034","","","","has coordinates","251829","2020-10-21","18:00:00",""
"7240470","7.03","0.0013","22.083","0.004","11.555","0.002","90","","97.563","0.006","90","","1778.2","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl N3 O3 -","- C19 H20 Cl N3 O3 -","- C76 H80 Cl4 N12 O12 -","4","1","","Zhang, Guoshun; shang, xiaoqing; han, wei; zhang, lifeng; ren, guolian; Zhang, Shuqiu","Synthesis, Structural Characterization, Physicochemical Properties and Transformations of Dehydroevodiamine and Its Hydrochloride Salts","CrystEngComm","2020","","","","","10.1039/D0CE00136H","","","0.71076","MoKα","","0.1794","0.0785","","","0.1827","0.2275","","","","","","1.017","","","","has coordinates","251829","2020-10-21","18:00:00",""
"7240471","7.6333","0.0008","11.2359","0.0011","18.1058","0.0018","90","","99.64","0.005","90","","1531","0.3","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","[4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one]-[1,2-Bis(4-pyridyl)ethane]","","- C28 H32 F2 N8 O6 S2 -","- C28 H32 F2 N8 O6 S2 -","- C56 H64 F4 N16 O12 S4 -","2","1","","Campillo-Alvarado, Gonzalo; Keene, Elizabeth; Swenson, Dale C.; MacGillivray, Len R.","Repurposing of the anti-HIV drug Emtricitabine as a hydrogen-bonded cleft for bipyridines via cocrystallization","CrystEngComm","2020","","","","","10.1039/D0CE00474J","","","0.71073","MoKα","","0.0325","0.0292","","","0.0677","0.07","","","","","","1.024","","","","has coordinates,has disorder","251830","2020-10-21","18:00:00",""
"7240472","7.4883","0.0007","11.2957","0.0011","18.1735","0.0018","90","","100.406","0.005","90","","1511.9","0.3","298.15","","298.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","[4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one]-[1,2-Bis(4-pyridyl)ethylene]","","- C28 H30 F2 N8 O6 S2 -","- C28 H30 F2 N8 O6 S2 -","- C56 H60 F4 N16 O12 S4 -","2","1","","Campillo-Alvarado, Gonzalo; Keene, Elizabeth; Swenson, Dale C.; MacGillivray, Len R.","Repurposing of the anti-HIV drug Emtricitabine as a hydrogen-bonded cleft for bipyridines via cocrystallization","CrystEngComm","2020","","","","","10.1039/D0CE00474J","","","0.71073","MoKα","","0.0427","0.0369","","","0.0838","0.0869","","","","","","1.059","","","","has coordinates","251830","2020-10-21","18:00:00",""
"7240473","7.5024","0.0008","11.2194","0.0011","18.2134","0.0018","90","","100.538","0.005","90","","1507.2","0.3","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","[4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one]-[4-azopyridine]'","","- C26 H27 F2 N10 O6 S2 -","- C26 H27 F2 N10 O6 S2 -","- C52 H54 F4 N20 O12 S4 -","2","1","","Campillo-Alvarado, Gonzalo; Keene, Elizabeth; Swenson, Dale C.; MacGillivray, Len R.","Repurposing of the anti-HIV drug Emtricitabine as a hydrogen-bonded cleft for bipyridines via cocrystallization","CrystEngComm","2020","","","","","10.1039/D0CE00474J","","","0.71073","MoKα","","0.0591","0.0487","","","0.1106","0.1157","","","","","","1.073","","","","has coordinates,has disorder","251830","2020-10-21","18:00:00",""
"7240474","7.4668","0.001","9.67","0.0014","26.187","0.004","90","","90.087","0.004","90","","1890.8","0.5","150.15","","150.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","[4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one]-[4,4'-bipyridine]","","- C18 H19 F N5 O3.5 S -","- C18 H19 F N5 O3.5 S -","- C72 H76 F4 N20 O14 S4 -","4","2","","Campillo-Alvarado, Gonzalo; Keene, Elizabeth; Swenson, Dale C.; MacGillivray, Len R.","Repurposing of the anti-HIV drug Emtricitabine as a hydrogen-bonded cleft for bipyridines via cocrystallization","CrystEngComm","2020","","","","","10.1039/D0CE00474J","","","0.71073","MoKα","","0.0633","0.0559","","","0.1267","0.1307","","","","","","1.0385","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7240475","11.8146","0.0005","12.7494","0.0006","12.7733","0.0006","74.285","0.002","63.823","0.002","83.926","0.002","1661.94","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H35 Au N P S -","- C42 H35 Au N P S -","- C84 H70 Au2 N2 P2 S2 -","2","1","","Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G.","Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties.","Physical chemistry chemical physics : PCCP","2020","22","21","11915","11927","10.1039/d0cp01539c","","","0.71073","MoKα","","0.0402","0.0262","","","0.0462","0.0496","","","","","","1.019","","","","has coordinates","254000","2020-10-21","18:00:00",""
"7240476","12.571","0.0008","12.7256","0.0008","13.7715","0.0009","104.775","0.002","104.891","0.002","111.277","0.002","1829.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H53 Au N P S -","- C42 H53 Au N P S -","- C84 H106 Au2 N2 P2 S2 -","2","1","","Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G.","Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties.","Physical chemistry chemical physics : PCCP","2020","22","21","11915","11927","10.1039/d0cp01539c","","","0.71073","MoKα","","0.0268","0.0215","","","0.0446","0.0463","","","","","","1.136","","","","has coordinates","254000","2020-10-21","18:00:00",""
"7240477","14.8591","0.0008","15.918","0.0008","24.8004","0.0014","91.478","0.002","98.399","0.002","114.388","0.002","5261.1","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C59.61 H67.34 Au N3 S -","- C59.61 H67.34 Au N3 S -","- C238.44 H269.36 Au4 N12 S4 -","4","2","","Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G.","Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties.","Physical chemistry chemical physics : PCCP","2020","22","21","11915","11927","10.1039/d0cp01539c","","","0.71073","MoKα","","0.054","0.0346","","","0.0871","0.0948","","","","","","1.042","","","","has coordinates,has disorder","254000","2020-10-21","18:00:00",""
"7240478","7.3164","0.001","23.412","0.003","12.3254","0.0017","90","","94.77","0.002","90","","2103.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C72 H48 Co4 N8 O16 -","4","1","","Alotaibi, Nusaybah; Hammud, Hassan H.; Karnati, Ranjith Kumar; Hussain, Syed Ghazanfar; Mazher, Javed; Prakasam, Thirumurugan","Cobalt‒carbon/silica nanocomposites prepared by pyrolysis of a cobalt 2,2′-bipyridine terephthalate complex for remediation of cationic dyes","RSC Advances","2020","10","30","17660","17672","10.1039/D0RA02752A","","","0.71073","MoKα","","0.0543","0.0407","","","0.0945","0.0982","","","","","","1.046","","","","has coordinates","258098","2020-10-21","18:00:00",""
"7240479","11.609","0.012","7.722","0.007","12.775","0.013","90","","90.76","0.03","90","","1145","2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C60 H56 N4 -","2","0.5","","Colin-Molina, Abraham; Velazquez-Chavez, Diego; Jellen, Marcus; Rodríguez-Cortés, Lizbeth A.; Cifuentes Quintal, Miguel Eduardo; Merino, Gabriel; Rodríguez-Molina, Braulio","Dynamic Characterization of Crystalline Fluorophores with Conformationally Flexible Tetrahydrocarbazole Frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00423E","","","0.71073","MoKα","","0.2727","0.0956","","","0.2145","0.2974","","","","","","0.996","","","","has coordinates,has disorder","251876","2020-10-21","18:00:00",""
"7240480","11.4789","0.001","7.7861","0.0006","12.4833","0.0011","90","","91.539","0.003","90","","1115.3","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C60 H56 N4 -","2","0.5","","Colin-Molina, Abraham; Velazquez-Chavez, Diego; Jellen, Marcus; Rodríguez-Cortés, Lizbeth A.; Cifuentes Quintal, Miguel Eduardo; Merino, Gabriel; Rodríguez-Molina, Braulio","Dynamic Characterization of Crystalline Fluorophores with Conformationally Flexible Tetrahydrocarbazole Frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00423E","","","0.71073","MoKα","","0.1498","0.0828","","","0.2076","0.2513","","","","","","1.022","","","","has coordinates,has disorder","251876","2020-10-21","18:00:00",""
"7240481","11.5168","0.001","7.6482","0.0006","12.8491","0.0011","90","","90.876","0.003","90","","1131.65","0.16","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N2 -","- C30 H24 N2 -","- C60 H48 N4 -","2","0.5","","Colin-Molina, Abraham; Velazquez-Chavez, Diego; Jellen, Marcus; Rodríguez-Cortés, Lizbeth A.; Cifuentes Quintal, Miguel Eduardo; Merino, Gabriel; Rodríguez-Molina, Braulio","Dynamic Characterization of Crystalline Fluorophores with Conformationally Flexible Tetrahydrocarbazole Frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00423E","","","0.71073","MoKα","","0.166","0.0676","","","0.1503","0.1967","","","","","","1.024","","","","has coordinates,has disorder","251876","2020-10-21","18:00:00",""
"7240482","8.8101","0.0004","17.1707","0.0008","13.2499","0.0007","90","","101.1","0.002","90","","1966.89","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfathiazole amantadine salt","4-Amino-N-(1,3-thiazol-2(3H)-ylidene)benzenesulfonamide 1-Adamantylammonium salt","","- C19 H26 N4 O2 S2 -","- C19 H26 N4 O2 S2 -","- C76 H104 N16 O8 S8 -","4","1","","Wang, Ling-Yang; Yu, Yueming; Yu, Ming-Chao; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","A crystalline solid adduct of sulfathiazole-amantadine: The first dual-drug molecular salt containing both antiviral and antibacterial ingredients","CrystEngComm","2020","","","","","10.1039/D0CE00368A","","","0.71073","MoKα","","0.0949","0.05","","","0.0935","0.1083","","","","","","1.016","","","","has coordinates","251877","2020-10-21","18:00:00",""
"7240483","18.0015","0.0014","18.7263","0.0015","18.8837","0.0016","90","","90","","90","","6365.7","0.9","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[4-(2-fluorphenoxy)phenyl]triphenylphosphonium bistriflimide","","- C32 H23 F7 N O5 P S2 -","- C32 H23 F7 N O5 P S2 -","- C256 H184 F56 N8 O40 P8 S16 -","8","1","","Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H","Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment.","Physical chemistry chemical physics : PCCP","2020","22","21","12301","12311","10.1039/d0cp01214a","","","0.71073","MoKα","","0.0827","0.0579","","","0.1578","0.1854","","","","","","1.046","","","","has coordinates,has disorder","253999","2020-10-21","18:00:00",""
"7240484","18.1884","0.0008","9.1975","0.0004","18.6788","0.0007","90","","90","","90","","3124.7","0.2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","(4-phenoxyphenyl)triphenylphosphonium bistriflimide","","- C32 H24 F6 N O5 P S2 -","- C32 H24 F6 N O5 P S2 -","- C128 H96 F24 N4 O20 P4 S8 -","4","1","","Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H","Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment.","Physical chemistry chemical physics : PCCP","2020","22","21","12301","12311","10.1039/d0cp01214a","","","1.54178","CuKα","","0.0313","0.0303","","","0.0805","0.0813","","","","","","1.092","","","","has coordinates,has disorder","253999","2020-10-21","18:00:00",""
"7240485","9.5981","0.0008","13.6324","0.0011","22.2398","0.0018","102.938","0.003","92.159","0.003","109.211","0.003","2658.5","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","(4-fluorphenyl)triphenylphosphonium bistriflimide","","- C26 H19 F7 N O4 P S2 -","- C26 H19.0005 F6.9995 N O4 P S2 -","- C104 H76.002 F27.998 N4 O16 P4 S8 -","4","2","","Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H","Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment.","Physical chemistry chemical physics : PCCP","2020","22","21","12301","12311","10.1039/d0cp01214a","","","0.71073","MoKα","","0.0633","0.044","","","0.1172","0.1276","","","","","","1.035","","","","has coordinates,has disorder","253999","2020-10-21","18:00:00",""
"7240486","18.0534","0.0013","19.0695","0.0014","20.2712","0.0015","90","","114.239","0.003","90","","6363.5","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[4-(3-fluorphenoxy)phenyl]triphenylphosphonium bistriflimide","","- C32 H23 F7 N O5 P S2 -","- C32 H23 F7 N O5 P S2 -","- C256 H184 F56 N8 O40 P8 S16 -","8","2","","Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H","Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment.","Physical chemistry chemical physics : PCCP","2020","22","21","12301","12311","10.1039/d0cp01214a","","","0.71073","MoKα","","0.0955","0.0534","","","0.1333","0.145","","","","","","1.021","","","","has coordinates,has disorder","253999","2020-10-21","18:00:00",""
"7240487","7.8939","0.0016","8.9985","0.0018","14.466","0.003","85.32","0.03","81.63","0.03","72.73","0.03","970","0.4","113","2","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 Cl N6 O5 S -","- C17 H19 Cl N6 O5 S -","- C34 H38 Cl2 N12 O10 S2 -","2","1","","Meng, Fan-Fei; Wu, Lei; Gu, Yu-Cheng; Zhou, Sha; Li, Yong-Hong; Chen, Ming-Gui; Zhou, Shaa; Zhao, Yang-Yang; Ma, Yi; Li, Zheng-Ming","Research on the controllable degradation of N-methylamido and dialkylamino substituted at the 5th position of the benzene ring in chlorsulfuron in acidic soil","RSC Advances","2020","10","30","17870","17880","10.1039/D0RA00811G","","","0.71073","MoKα","","0.0676","0.057","","","0.1506","0.1597","","","","","","1.058","","","","has coordinates","258097","2020-10-21","18:00:00",""
"7240488","10.2847","0.0005","17.1412","0.0007","11.241","0.0005","90","","102.533","0.005","90","","1934.48","0.15","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl N6 O4 S -","- C16 H19 Cl N6 O4 S -","- C64 H76 Cl4 N24 O16 S4 -","4","1","","Meng, Fan-Fei; Wu, Lei; Gu, Yu-Cheng; Zhou, Sha; Li, Yong-Hong; Chen, Ming-Gui; Zhou, Shaa; Zhao, Yang-Yang; Ma, Yi; Li, Zheng-Ming","Research on the controllable degradation of N-methylamido and dialkylamino substituted at the 5th position of the benzene ring in chlorsulfuron in acidic soil","RSC Advances","2020","10","30","17870","17880","10.1039/D0RA00811G","","","0.71073","MoKα","","0.0589","0.0496","","","0.1274","0.1345","","","","","","1.04","","","","has coordinates","258097","2020-10-21","18:00:00",""
"7240489","9.0093","0.0002","9.0093","0.0002","11.2503","0.0004","90","","90","","120","","790.82","0.04","293","","293","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","catena-(ammonium bis(m2-oxalato)-scandium dihydrate)","","","- C4 N O10 Sc -","- C4 N O10 Sc -","- C12 N3 O30 Sc3 -","3","0.25","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.029","9.801","","","","","","","has coordinates","257604","2020-10-21","18:00:00",""
"7240490","17.851","0.002","11.0413","0.0007","18.2806","0.0013","90","","104.189","0.002","90","","3493.2","0.5","253","2","253","","","","","","","","synthetic","5","I 1 2/a 1","-I 2ya","15","","Sodium scandium oxalate hexahydrate","","- C6 H10 Na3 O18 Sc -","- C6 H10 Na3 O18 Sc -","- C48 H80 Na24 O144 Sc8 -","8","1","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","","x-ray","0.71073","MoKα","","0.0596","0.0373","","","0.0829","0.0915","","","","","","1.033","","","","has coordinates,has disorder","257604","2020-10-21","18:00:00",""
"7240491","15.8839","0.0014","11.4558","0.001","22.7314","0.0019","90","","92.19","0.004","90","","4133.2","0.6","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 K3.5 O20 Sc -","- C7 H12 K3.5 O20 Sc -","- C56 H96 K28 O160 Sc8 -","8","1","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","","x-ray","1.54178","CuKα","","0.0606","0.0481","","","0.1263","0.1425","","","","","","1.052","","","","has coordinates,has disorder","257604","2020-10-21","18:00:00",""
"7240492","9.0427","0.0002","6.09117","0.00012","7.8999","0.0002","90","","90.182","0.003","90","","435.129","0.017","293","","293","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","catena-(ammonium bis(m2-oxalato)-ytterbium hydrate)","","","- C4 N O9 Yb -","- C4 N O9 Yb -","- C8 N2 O18 Yb2 -","2","0.5","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.015","3.396","","","","","","","has coordinates","257604","2020-10-21","18:00:00",""
"7240493","8.4883","0.0002","9.3894","0.0003","9.7552","0.0002","98.255","0.002","91.154","0.002","96.544","0.003","763.89","0.03","293","","293","","","","","","","","","4","P -1","-P 1","2","catena-(potassium bis(m2-oxalato)-europium hydrate)","","","- C6 Eu K3 O15 -","- C6 Eu K3 O15 -","- C12 Eu2 K6 O30 -","2","1","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.023","2.282","","","","","","","has coordinates","257604","2020-10-21","18:00:00",""
"7240494","8.4795","0.0008","9.3708","0.0009","9.7323","0.0009","98.377","0.004","91.097","0.004","96.629","0.004","759.45","0.12","100","2","100","","","","","","","","synthetic","5","P -1","-P 1","2","","Tripotassium gadolinium oxalate trihydrate","","- C6 H6 Gd K3 O15 -","- C6 H6 Gd K3 O15 -","- C12 H12 Gd2 K6 O30 -","2","1","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","","","0.71073","MoKα","","0.021","0.0174","","","0.0369","0.0379","","","","","","1.046","","","","has coordinates","257604","2020-10-21","18:00:00",""
"7240495","9.5867","0.0002","6.64358","0.00016","6.25859","0.00016","98.1966","0.0017","99.4509","0.0019","75.113","0.002","377.889","0.016","293","","293","","","","","","","","","3","P -1","-P 1","2","catena-(tetra-aqua-tris(m2-oxalato-O,O',O'',O''')-di-lutecium(iii)) dihydrate","","","- C3 Lu O9 -","- C3 Lu O9 -","- C6 Lu2 O18 -","2","1","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.027","5.391","","","","","","","has coordinates","257604","2020-10-21","18:00:00",""
"7240496","11.4151","0.0008","12.6781","0.0009","11.4093","0.0008","90","","111.9","0.002","90","","1532.02","0.19","100","2","100","","","","","","","","synthetic","5","C 1 2/c 1","-C 2yc","15","","Potassium scandium oxalate","","- C6 H8 K3 O16 Sc -","- C6 H8 K3 O16 Sc -","- C24 H32 K12 O64 Sc4 -","4","0.5","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","","x-ray","0.71073","MoKα","","0.0184","0.018","","","0.0474","0.0478","","","","","","1.102","","","","has coordinates","257604","2020-10-21","18:00:00",""
"7240497","20.7914","0.0011","25.4192","0.0011","26.4883","0.0008","90","","90","","90","","13999.1","1","100","2","100","2","","","","","","","","5","P n n n :2","-P 2ab 2bc","48","","poly-{(dimethylammonium) [tetrakis(mu3-butyladeninato-kN3:kN7:kN9)tetrakis(mu-biphenyldicarboxylato-kO:kO')(mu4-oxido)hexazincate]-dimethylformamide-water (1/4/13)","","- C108 H150 N26 O34 Zn6 -","- C108 H124 N26 O30 Zn6 -","- C432 H496 N104 O120 Zn24 -","4","0.5","","Garcia-Raso, Angel; TERRON, ANGEL; rosello, Yannick; Frontera, Antonio; Castillo, Oscar; Beobide, Garikoitz; Perez-Yañez, Sonia; Escudero, Eduardo Carmelo; FIOL, JUAN J J","Metal removal from the secondary building unit of bio-MOF-1 by adenine N6-alkylation while retaining the overall 3D porous topology","CrystEngComm","2020","","","","","10.1039/D0CE00631A","","","0.7107","MoKα","","0.1168","0.0714","","","0.204","0.224","","","","","","1.116","","","","has coordinates,has disorder","251966","2020-10-21","18:00:00",""
"7240498","12.513","0.003","13.386","0.003","14.866","0.003","113.61","0.03","91.56","0.02","106.97","0.03","2152.6","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H23 N O10 Si Zn2 -","- C24 H23 N O10 Si Zn2 -","- C48 H46 N2 O20 Si2 Zn4 -","2","1","","Yuan, Baoling; Tang, Yuan; Gou, Gaozhang; Dan, Wenyan; Li, Liangchun","In Situ Selective Ligand Transformation from Si−H to Si−OH for Synergistic Assembly of Hydrogen-bonded Metal−Organic Frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00629G","","","0.71073","MoKα","","0.0846","0.0612","","","0.1373","0.1464","","","","","","0.999","","","","has coordinates,has disorder","252004","2020-10-21","18:00:00",""
"7240499","10.7672","0.0002","25.0553","0.0005","24.4048","0.0005","90","","98.31","0.001","90","","6514.7","0.2","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Mn-TPCSiOH","","","- C45 H39 Mn3 N O18 Si2 -","- C45 H39 Mn3 N O18 Si2 -","- C180 H156 Mn12 N4 O72 Si8 -","4","1","","Yuan, Baoling; Tang, Yuan; Gou, Gaozhang; Dan, Wenyan; Li, Liangchun","In Situ Selective Ligand Transformation from Si−H to Si−OH for Synergistic Assembly of Hydrogen-bonded Metal−Organic Frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00629G","","","1.54178","CuKα","","0.088","0.0627","","","0.1393","0.1497","","","","","","1.054","","","","has coordinates","252004","2020-10-21","18:00:00",""
"7240500","8.2027","0.0006","8.8661","0.0005","11.48","0.0007","89.566","0.005","70.547","0.006","81.668","0.006","778.18","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl I3 N2 -","- C10 H10 Cl I3 N2 -","- C20 H20 Cl2 I6 N4 -","2","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0647","0.0414","","","0.0902","0.1126","","","","","","0.921","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240501","8.0102","0.0009","8.0918","0.001","14.048","0.0018","90.722","0.01","99.454","0.01","119.57","0.013","776.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H6 Cl I N O0.5 -","- C5 H6 Cl I N O0.5 -","- C20 H24 Cl4 I4 N4 O2 -","4","2","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0426","0.0297","","","0.0655","0.0678","","","","","","0.91","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7240502","4.5838","0.0002","14.8642","0.0005","10.6931","0.0003","90","","91.693","0.003","90","","728.25","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Br I N -","- C5 H5 Br I N -","- C20 H20 Br4 I4 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0442","0.029","","","0.0625","0.0651","","","","","","0.9","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240503","4.5792","0.0001","21.7962","0.0006","8.1293","0.0003","90","","101.885","0.003","90","","793.99","0.04","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 I2 N -","- C5 H5 I2 N -","- C20 H20 I8 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.045","0.0281","","","0.0593","0.0618","","","","","","0.903","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240504","4.4564","0.0003","10.8438","0.0007","14.8824","0.0011","90","","94.886","0.007","90","","716.57","0.09","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 Cl I N -","- C5 H5 Cl I N -","- C20 H20 Cl4 I4 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0883","0.0413","","","0.0748","0.0836","","","","","","0.8","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240505","4.6289","0.0002","15.1319","0.0008","11.0844","0.0009","90","","91.478","0.007","90","","776.14","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 I2 N -","- C5 H5 I2 N -","- C20 H20 I8 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0347","0.031","","","0.0782","0.0803","","","","","","0.924","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240506","15.0849","0.0007","4.7247","0.0002","11.2538","0.0004","90","","90","","90","","802.08","0.06","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C5 H5 I2 N -","- C5 H5 I2 N -","- C20 H20 I8 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0232","0.0191","","","0.0413","0.0422","","","","","","0.871","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240507","14.962","0.0007","4.5454","0.0002","10.9014","0.0005","90","","90","","90","","741.39","0.06","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C5 H5 Br I N -","- C5 H5 Br I N -","- C20 H20 Br4 I4 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0359","0.0287","","","0.0613","0.0625","","","","","","0.88","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240508","4.3369","0.0008","8.4079","0.0017","9.736","0.002","90","","94.12","0.018","90","","354.1","0.12","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C5 H5 Cl I N -","- C5 H5 Cl I N -","- C10 H10 Cl2 I2 N2 -","2","0.5","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0968","0.0811","","","0.2208","0.2298","","","","","","1.089","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240509","10.5864","0.0011","4.3468","0.0005","15.0822","0.0014","90","","90.518","0.008","90","","694.01","0.13","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C5 H5 Cl I N -","- C5 H5 Cl I N -","- C20 H20 Cl4 I4 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","1.54184","CuKα","","0.0564","0.0506","","","0.137","0.1498","","","","","","1.116","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240510","4.3789","0.0003","8.5332","0.0007","9.9405","0.0006","90","","95.16","0.006","90","","369.93","0.05","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C5 H5 Br I N -","- C5 H5 Br I N -","- C10 H10 Br2 I2 N2 -","2","0.5","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0611","0.057","","","0.155","0.1573","","","","","","1.063","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240511","18.8403","0.0015","4.2335","0.0003","15.3364","0.0012","90","","95.068","0.003","90","","1218.46","0.16","273","2","273","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- O5 Pb1.5 Sb5 Se8 Sr4 -","- O5 Pb1.5 Sb5 Se8 Sr4 -","- O10 Pb3 Sb10 Se16 Sr8 -","2","0.5","","Wang, Yang; Luo, Mengjia; Zhao, Pei; Che, Xiangli; Cao, Yunzhen; Huang, Fuqiang","Sr4Pb1.5Sb5O5Se8: a new mid-infrared nonlinear optical material with a moderate SHG response","CrystEngComm","2020","","","","","10.1039/D0CE00084A","","","0.71073","MoKα","","0.0572","0.0375","","","0.0868","0.0978","","","","","","1.046","","","","has coordinates","252036","2020-10-21","18:00:00",""
"7240512","11.2749","0.0009","24.769","0.002","14.9058","0.0012","90","","92.691","0.002","90","","4158.1","0.6","273","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H83 N25 Na4 O37 S4 -","- C63 H83 N25 Na4 O37 S4 -","- C126 H166 N50 Na8 O74 S8 -","2","0.5","","Liu, Mei; Shi, Lulu; Li, Hui","A cucurbit[6]uril-based supramolecular assembly as a highly sensitive and quickly responsive luminescent sensor for the detection of fluoroquinolones antibiotics in simulated wastewater","CrystEngComm","2020","","","","","10.1039/D0CE00603C","","","0.71073","MoKα","","0.1138","0.0927","","","0.2203","0.2325","","","","","","1.076","","","","has coordinates,has disorder","252037","2020-10-21","18:00:00",""
"7240513","8.6479","0.0004","11.7181","0.0006","12.4402","0.0007","114.461","0.002","90.355","0.003","96.581","0.003","1137.93","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 O5 S -","- C26 H26 O5 S -","- C52 H52 O10 S2 -","2","1","","Chang, Meng-Yang; Lai, Kai-Xiang; Chang, Yu-Lun","In(OTf)3-catalyzed intramolecular hydroarylation of α-phenylallyl β-ketosulfones ‒ synthesis of sulfonyl 1-benzosuberones and 1-tetralones","RSC Advances","2020","10","31","18231","18244","10.1039/D0RA01962C","","","0.71073","MoKα","","0.0662","0.0434","","","0.102","0.1136","","","","","","1.039","","","","has coordinates","258102","2020-10-21","18:00:00",""
"7240514","17.4857","0.0009","9.6877","0.0005","17.1467","0.0009","90","","118.713","0.003","90","","2547.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 O5 S -","- C26 H26 O5 S -","- C104 H104 O20 S4 -","4","1","","Chang, Meng-Yang; Lai, Kai-Xiang; Chang, Yu-Lun","In(OTf)3-catalyzed intramolecular hydroarylation of α-phenylallyl β-ketosulfones ‒ synthesis of sulfonyl 1-benzosuberones and 1-tetralones","RSC Advances","2020","10","31","18231","18244","10.1039/D0RA01962C","","","0.71073","MoKα","","0.0524","0.0395","","","0.0935","0.1009","","","","","","1.032","","","","has coordinates","258102","2020-10-21","18:00:00",""
"7240515","12.283","0.0019","19.038","0.004","9.2274","0.0014","90","","107.381","0.009","90","","2059.2","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 O5 S -","- C25 H24 O5 S -","- C100 H96 O20 S4 -","4","1","","Chang, Meng-Yang; Lai, Kai-Xiang; Chang, Yu-Lun","In(OTf)3-catalyzed intramolecular hydroarylation of α-phenylallyl β-ketosulfones ‒ synthesis of sulfonyl 1-benzosuberones and 1-tetralones","RSC Advances","2020","10","31","18231","18244","10.1039/D0RA01962C","","","0.71073","MoKα","","0.0745","0.0471","","","0.1017","0.1146","","","","","","1.034","","","","has coordinates","258102","2020-10-21","18:00:00",""
"7240516","15.699","0.004","7.434","0.002","24.908","0.008","90","","98.529","0.016","90","","2874.8","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 O4 S -","- C36 H34 O4 S -","- C144 H136 O16 S4 -","4","1","","Chang, Meng-Yang; Lai, Kai-Xiang; Chang, Yu-Lun","In(OTf)3-catalyzed intramolecular hydroarylation of α-phenylallyl β-ketosulfones ‒ synthesis of sulfonyl 1-benzosuberones and 1-tetralones","RSC Advances","2020","10","31","18231","18244","10.1039/D0RA01962C","","","0.71073","MoKα","","0.1166","0.0641","","","0.1662","0.1989","","","","","","1.047","","","","has coordinates","258102","2020-10-21","18:00:00",""
"7240517","11.8913","0.0006","7.6503","0.0003","16.1369","0.0008","90","","91.748","0.004","90","","1467.32","0.12","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N4 O4 Zn -","- C30 H34 N4 O4 Zn -","- C60 H68 N8 O8 Zn2 -","2","0.5","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0346","0.0304","","","0.0832","0.0852","","","","","","1.113","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240518","10.2457","0.0004","35.0251","0.0013","14.6211","0.0005","90","","109.855","0.004","90","","4935","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H57 N7 O8 Zn2 -","- C55 H57 N7 O8 Zn2 -","- C220 H228 N28 O32 Zn8 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0736","0.0427","","","0.0814","0.0909","","","","","","0.998","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240519","7.6353","0.0002","15.1456","0.0004","15.5015","0.0004","110.85","0.003","101.862","0.002","101.479","0.002","1565.17","0.09","125","0.1","125","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29 N5 O4 Zn -","- C29 H29 N5 O4 Zn -","- C58 H58 N10 O8 Zn2 -","2","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.036","0.0321","","","0.0862","0.0883","","","","","","1.089","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240520","10.2398","0.0001","20.2129","0.0002","16.0208","0.0001","90","","97.638","0.001","90","","3286.5","0.05","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 Cl6 N4 O4 Zn -","- C29 H28 Cl6 N4 O4 Zn -","- C116 H112 Cl24 N16 O16 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","1.54184","CuKα","","0.0366","0.0315","","","0.081","0.0859","","","","","","1.039","","","","has coordinates,has disorder","258103","2020-10-21","18:00:00",""
"7240521","9.5111","0.0002","12.6993","0.0003","13.6361","0.0003","88.709","0.002","88.368","0.002","82.441","0.002","1631.76","0.06","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C37 H33 N5 O6 Zn -","- C37 H33 N5 O6 Zn -","- C74 H66 N10 O12 Zn2 -","2","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","1.54184","CuKα","","0.0334","0.0325","","","0.088","0.089","","","","","","1.027","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240522","13.2473","0.0007","14.3337","0.0009","17.9869","0.0012","90","","91.334","0.005","90","","3414.5","0.4","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 N5 O6 Zn -","- C36 H31 N5 O6 Zn -","- C144 H124 N20 O24 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.1121","0.0545","","","0.1085","0.1331","","","","","","0.991","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240523","14.337","0.0004","8.5075","0.0002","25.4808","0.0008","90","","102.665","0.003","90","","3032.32","0.15","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 N5 O7 Zn -","- C31 H35 N5 O7 Zn -","- C124 H140 N20 O28 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0403","0.0314","","","0.0778","0.0828","","","","","","1.049","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240524","13.1291","0.0002","13.1804","0.0002","19.8037","0.0003","90","","93.126","0.001","90","","3421.87","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 N5 O6 Zn -","- C37 H33 N5 O6 Zn -","- C148 H132 N20 O24 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","1.54184","CuKα","","0.0441","0.0351","","","0.0915","0.0981","","","","","","1.024","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240525","10.1666","0.0006","17.0493","0.0012","18.2066","0.0009","90","","101.886","0.005","90","","3088.1","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 N5 O6 Zn -","- C36 H31 N5 O6 Zn -","- C144 H124 N20 O24 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0983","0.0648","","","0.1459","0.1616","","","","","","1.075","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240526","13.0755","0.0004","12.9618","0.0005","20.0571","0.0007","90","","93.157","0.003","90","","3394.2","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 N5 O7 Zn -","- C36 H31 N5 O7 Zn -","- C144 H124 N20 O28 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0608","0.0397","","","0.0902","0.1033","","","","","","1.024","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240527","9.5603","0.0006","6.7219","0.0008","17.1475","0.0012","90","","91.675","0.007","90","","1101.49","0.17","150","0.1","150","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H22 Cl N3 O4 Zn -","- C24 H22 Cl N3 O4 Zn -","- C48 H44 Cl2 N6 O8 Zn2 -","2","0.5","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0436","0.035","","","0.0819","0.0867","","","","","","1.033","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240528","10.6517","0.0005","17.8533","0.0008","13.5909","0.0005","90","","91.999","0.004","90","","2582.98","0.19","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 N4 O6 Zn -","- C28 H30 N4 O6 Zn -","- C112 H120 N16 O24 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0511","0.0344","","","0.0789","0.0888","","","","","","1.033","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240529","7.9798","0.0002","12.1068","0.0003","15.2595","0.0004","81.018","0.002","78.984","0.002","86.388","0.002","1428.47","0.06","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 N6 O4.5 Zn -","- C31 H34 N6 O4.5 Zn -","- C62 H68 N12 O9 Zn2 -","2","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0399","0.0374","","","0.0863","0.0874","","","","","","1.217","","","","has coordinates,has disorder","258103","2020-10-21","18:00:00",""
"7240530","8.8023","0.0003","12.7903","0.0006","15.298","0.0006","79.309","0.004","84.72","0.003","70.296","0.004","1592.51","0.12","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H31 N5 O6 Zn -","- C36 H31 N5 O6 Zn -","- C72 H62 N10 O12 Zn2 -","2","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0654","0.0437","","","0.098","0.1089","","","","","","1.022","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240531","9.3854","0.0009","12.6764","0.0012","13.5914","0.0012","93.234","0.008","90.556","0.008","99.664","0.009","1591.2","0.3","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H31 N5 O6 Zn -","- C36 H31 N5 O6 Zn -","- C72 H62 N10 O12 Zn2 -","2","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.3218","0.1638","","","0.3471","0.464","","","","","","0.967","","","","has coordinates","258103","2020-10-21","18:00:00",""
"7240532","7.9088","0.0002","12.5987","0.0004","14.7809","0.0005","114.123","0.003","99.089","0.002","93.237","0.002","1315.26","0.08","125","0.1","125","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 Cl2 N4 O4 Zn -","- C27 H26 Cl2 N4 O4 Zn -","- C54 H52 Cl4 N8 O8 Zn2 -","2","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.0451","0.0382","","","0.0984","0.103","","","","","","1.032","","","","has coordinates,has disorder","258103","2020-10-21","18:00:00",""
"7240533","10.2026","0.0003","20.3546","0.0005","15.8428","0.0005","90","","97.78","0.002","90","","3259.79","0.16","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Cl6 N4 O4 Zn -","- C28 H26 Cl6 N4 O4 Zn -","- C112 H104 Cl24 N16 O16 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín","From cyclic amines and acetonitrile to amidine zinc(ii) complexes","RSC Advances","2020","10","31","18200","18221","10.1039/D0RA03192E","","x-ray","0.71073","MoKα","","0.055","0.043","","","0.1003","0.1082","","","","","","1.027","","","","has coordinates,has disorder","258103","2020-10-21","18:00:00",""
"7240534","21.457","0.002","14.4489","0.0015","7.37","0.0008","90","","90.013","0.002","90","","2284.9","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 F N4 O6 -","- C24 H27 F N4 O6 -","- C96 H108 F4 N16 O24 -","4","1","","Surov, Artem Olegovich; Vasilev, Nikita; Voronin, Alexander P.; Andrei, Churakov; Emmerling, Franziska; Perlovich, German L.","Ciprofloxacin salts with benzoic acid derivatives: structural aspects, solid-state properties and solubility performance","CrystEngComm","2020","","","","","10.1039/D0CE00514B","","","0.71073","MoKα","","0.0652","0.0486","","","0.1247","0.1339","","","","","","1.054","","","","has coordinates","252069","2020-10-21","18:00:00",""
"7240535","9.121","0.0007","27.264","0.002","10.3393","0.0008","90","","93.365","0.001","90","","2566.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H28.33 F N3 O10.17 -","- C24 H28.334 F N3 O10.167 -","- C96 H113.336 F4 N12 O40.668 -","4","1","","Surov, Artem Olegovich; Vasilev, Nikita; Voronin, Alexander P.; Andrei, Churakov; Emmerling, Franziska; Perlovich, German L.","Ciprofloxacin salts with benzoic acid derivatives: structural aspects, solid-state properties and solubility performance","CrystEngComm","2020","","","","","10.1039/D0CE00514B","","","0.71073","MoKα","","0.0612","0.043","","","0.0973","0.106","","","","","","1.03","","","","has coordinates","252069","2020-10-21","18:00:00",""
"7240536","7.897","0.0002","14.3744","0.0003","15.1386","0.0003","77.442","0.002","79.666","0.002","88.939","0.002","1649.76","0.07","300","0.1","300","0.1","","","","","","","","5","P 1","P 1","1","guanidinium ethoxysulfonate","guanidinium ethoxysulfonate","","- C3 H11 N3 O4 S -","- C3 H11 N3 O4 S -","- C24 H88 N24 O32 S8 -","8","8","","Szafrański, Marek; Jarek, Marcin","Thermodynamic pathway between the non-polar and ferroelectric polymorphs of guanidinium ethoxysulfonate","CrystEngComm","2020","","","","","10.1039/D0CE00565G","","","0.71073","MoKα","","0.0777","0.0618","","","0.1709","0.1914","","","","","","1.029","","","","has coordinates,has disorder","252070","2020-10-21","18:00:00",""
"7240537","9.6088","0.0007","14.6537","0.0011","16.9619","0.0014","95.852","0.001","106.511","0.001","107.938","0.001","2131","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Cl Eu N4 O12 -","- C36 H30 Cl Eu N4 O12 -","- C72 H60 Cl2 Eu2 N8 O24 -","2","1","","Liu, Jian-Jun; Que, Qi-Tao; Liu, Dan; Suo, Hongbo; Liu, Jiaming; Xia, Shu-Biao","A multifunction photochromic metal-organic framework with Lewis acid sites for selective amines and anion sensing","CrystEngComm","2020","","","","","10.1039/D0CE00560F","","","0.71073","MoKα","","0.0456","0.0393","","","0.1088","0.1129","","","","","","1.047","","","","has coordinates","252071","2020-10-21","18:00:00",""
"7240538","9.2897","0.0002","9.4735","0.0002","13.3937","0.0003","94.505","0.002","95.182","0.002","95.941","0.002","1163","0.04","130","2","130.1","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C16 H8 Cl Li3 N8 O2 W -","- C16 H8 Cl Li3 N8 O2 W -","- C32 H16 Cl2 Li6 N16 O4 W2 -","2","1","","Hodorowicz, Maciej; Szklarzewicz, Janusz; Jurowska, Anna","The versatility of lithium cation coordination modes in salts with [W(CN)6(bpy)]2- anion","CrystEngComm","2020","","","","","10.1039/D0CE00468E","","x-ray","0.71073","MoKα","","0.0428","0.0356","","","0.089","0.0929","","","","","","1.117","","","","has coordinates","252072","2020-10-21","18:00:00",""
"7240539","9.2411","0.0003","9.5189","0.0003","13.394","0.0004","94.706","0.003","96.181","0.003","96.111","0.003","1159.48","0.06","100","2","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H8 Li2 N8 O W -","- C16 H8 Li2 N8 O W -","- C32 H16 Li4 N16 O2 W2 -","2","1","","Hodorowicz, Maciej; Szklarzewicz, Janusz; Jurowska, Anna","The versatility of lithium cation coordination modes in salts with [W(CN)6(bpy)]2- anion","CrystEngComm","2020","","","","","10.1039/D0CE00468E","","x-ray","1.54184","CuKα","","0.0424","0.0401","","","0.1096","0.1116","","","","","","1.049","","","","has coordinates","252072","2020-10-21","18:00:00",""
"7240540","11.0411","0.0004","16.8624","0.0007","28.2059","0.0007","90","","90","","90","","5251.4","0.3","100","","100","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C50 H36 Cl8 I4 N4 -","- C50 H36 Cl8 I4 N4 -","- C200 H144 Cl32 I16 N16 -","4","0.5","","Oburn, Shalisa M.; Santana, Carlos; Elacqua, Elizabeth; Groeneman , Ryan","A diamondoid net sustained by halogen bonds: employing a cyclobutane to generate a tetrahedral architecture","CrystEngComm","2020","","","","","10.1039/D0CE00627K","","","0.71073","MoKα","","0.0144","0.014","","","0.0319","0.0323","","","","","","1.038","","","","has coordinates,has disorder","252073","2020-10-21","18:00:00",""
"7240541","8.6168","0.0004","6.7974","0.0003","13.2395","0.0005","90","","99.344","0.004","90","","765.17","0.06","293","","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","carbocyclic nucleoside","(1S,2R,3R,5R)-5-(4-amino-5-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-(hydroxymethyl)-3-methyl-4-methylenecyclopentane-1,2-diol","","- C14 H17 Cl N4 O3 -","- C14 H17 Cl N4 O3 -","- C28 H34 Cl2 N8 O6 -","2","1","","Samunuri, Ramakrishnamraju; Toyama, Masaaki; Pallaka, Renuka Sivasankar; Neeladri, Seshubabu; Jha, Ashok Kumar; Baba, Masanori; Bal, Chandralata","Synthesis and anti-HBV activity of carbocyclic nucleoside hybrids with salient features of entecavir and aristeromycin","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00059K","","","0.71073","MoKα","","0.037","0.0323","","","0.0755","0.0792","","","","","","1.043","","","","has coordinates","252079","2020-10-21","18:00:00",""
"7240542","20.6798","0.0002","11.2177","0.0001","12.5805","0.0001","90","","102.832","0.001","90","","2845.54","0.05","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-2-(4-ethylphenyl)-2-(3-oxoindolin-2-ylidene)acetonitrile","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C144 H112 N16 O8 -","8","1","","Aksenov, Nicolai A.; Aksenov, Dmitrii A.; Arutiunov, Nikolai A.; Aksenova, Daria S.; Aksenov, Alexander V.; Rubin, Michael","Unexpected cyclization of ortho-nitrochalcones into 2-alkylideneindolin-3-ones","RSC Advances","2020","10","31","18440","18450","10.1039/D0RA03520C","","x-ray","1.54184","CuKα","","0.0408","0.039","","","0.1083","0.1106","","","","","","1.045","","","","has coordinates","258104","2020-10-21","18:00:00",""
"7240543","21.767","0.003","4.8042","0.0008","42.042","0.007","90","","103.866","0.007","90","","4268.3","1.2","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N3 O2 S -","- C27 H19 N3 O2 S -","- C216 H152 N24 O16 S8 -","8","2","","Li, Shengling; Cao, Duanlin; Ma, Wenbing; Hu, Zhiyong; Meng, Xianjiao; Li, Zhichun; Yuan, Changchun; Zhou, Tao; Han, Xinghua","A simple fluorescent probe for detection of Ag+ and Cd2+ and its Cd2+ complex for sequential recognition of S2−","RSC Advances","2020","10","31","18434","18439","10.1039/D0RA01768J","","","0.71073","MoKα","","0.1748","0.0808","","","0.1869","0.242","","","","","","1.014","","","","has coordinates,has disorder","258101","2020-10-21","18:00:00",""
"7240544","25.8107","0.0009","25.8107","0.0009","25.8107","0.0009","90","","90","","90","","17194.9","1","220","2","220","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Villemot, Vincent; Hamel, Matthieu; Pansu, Robert B.; Leray, Isabelle; Bertrand, Guillaume H. V.","Unravelling the true MOF-5 luminescence","RSC Advances","2020","10","31","18418","18422","10.1039/D0RA02509G","","","0.71073","MoKα","","0.0883","0.0619","","","0.1692","0.1831","","","","","","1.119","","","","has coordinates","258100","2020-10-21","18:00:00",""
"7240545","10.6296","0.0006","12.6093","0.0008","16.8042","0.0011","90","","100.854","0.001","90","","2212","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Cl2 Ga N4 S -","- C20 H23 Cl2 Ga N4 S -","- C80 H92 Cl8 Ga4 N16 S4 -","4","1","","Qi, Jinxu; Liu, Taichen; Zhao, Wei; Zheng, Xinhua; Wang, Yihong","Synthesis, crystal structure and antiproliferative mechanisms of gallium(iii) complexes with benzoylpyridine thiosemicarbazones","RSC Advances","2020","10","32","18553","18559","10.1039/D0RA02913K","","","0.71073","MoKα","","0.0529","0.0368","","","0.0894","0.0969","","","","","","1.041","","","","has coordinates","258002","2020-10-21","18:00:00",""
"7240546","7.1246","0.0003","10.0327","0.0004","29.6291","0.0014","90","","90","","90","","2117.86","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(2-fluorophenyl)-1H-benzimidazole","2-(2-fluorophenyl)-1H-benzimidazole","","- C13 H9 F N2 -","- C13 H9 F N2 -","- C104 H72 F8 N16 -","8","1","","Bombicz, Petra Alexandra; May, Nóra Veronika; Fegyverneki, Daniel; Saranchimeg, Avirmed; Bereczki, Laura","Methods for easy recognition of isostructurality - Lab Jack-like crystal structures of halogenated 2-phenylbenzimidazoles","CrystEngComm","2020","","","","","10.1039/D0CE00410C","","","1.54187","CuKα","","0.1422","0.0944","","","0.1417","0.1583","","","","","","1.261","","","","has coordinates","252159","2020-10-21","18:00:00",""
"7240547","7.007","0.003","9.936","0.003","32.745","0.003","90","","90","","90","","2279.8","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(2-Bromophenyl)-1H-benzimidazole","2-(2-Bromophenyl)-1H-benzimidazole","","- C13 H9 Br N2 -","- C13 H9 Br N2 -","- C104 H72 Br8 N16 -","8","1","","Bombicz, Petra Alexandra; May, Nóra Veronika; Fegyverneki, Daniel; Saranchimeg, Avirmed; Bereczki, Laura","Methods for easy recognition of isostructurality - Lab Jack-like crystal structures of halogenated 2-phenylbenzimidazoles","CrystEngComm","2020","","","","","10.1039/D0CE00410C","","","1.54178","CuKα","","0.0692","0.0629","","","0.1377","0.1418","","","","","","1.169","","","","has coordinates","252159","2020-10-21","18:00:00",""
"7240548","12.6755","0.0016","9.6559","0.0018","9.7645","0.0015","90","","111.638","0.009","90","","1110.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","meta-bromo-benzimidazole","2-(3-bromophenyl)-1H-benzo[d]imidazole","","- C13 H9 Br N2 -","- C13 H9 Br N2 -","- C52 H36 Br4 N8 -","4","1","","Bombicz, Petra Alexandra; May, Nóra Veronika; Fegyverneki, Daniel; Saranchimeg, Avirmed; Bereczki, Laura","Methods for easy recognition of isostructurality - Lab Jack-like crystal structures of halogenated 2-phenylbenzimidazoles","CrystEngComm","2020","","","","","10.1039/D0CE00410C","","","0.71073","MoKα","","0.1142","0.0832","","","0.1344","0.1543","","","","","","1.063","","","","has coordinates","252159","2020-10-21","18:00:00",""
"7240549","12.5894","0.001","9.5051","0.0008","9.7495","0.0007","90","","111.933","0.008","90","","1082.22","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(3-Chlorophenyl)-1H-benzimidazole","2-(3-Chlorophenyl)-1H-benzimidazole","","- C13 H9 Cl N2 -","- C13 H9 Cl N2 -","- C52 H36 Cl4 N8 -","4","1","","Bombicz, Petra Alexandra; May, Nóra Veronika; Fegyverneki, Daniel; Saranchimeg, Avirmed; Bereczki, Laura","Methods for easy recognition of isostructurality - Lab Jack-like crystal structures of halogenated 2-phenylbenzimidazoles","CrystEngComm","2020","","","","","10.1039/D0CE00410C","","","0.71075","MoKα","","0.1044","0.0706","","","0.1056","0.1155","","","","","","1.184","","","","has coordinates","252159","2020-10-21","18:00:00",""
"7240550","10.4024","0.0003","15.8557","0.0005","12.7928","0.0004","90","","97.894","0.002","90","","2090.02","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 F3 I O3 P S -","- C20 H17 F3 I O3 P S -","- C80 H68 F12 I4 O12 P4 S4 -","4","1","","Suslonov, Vitalii V.; Eliseeva, Anastasiya A.; Novikov, Alexander S.; Ivanov, Daniil M.; Dubovtsev, Alexey Yu.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Tetrachloroplatinate(II) Anion as a Square-planar Tecton for Crystal Engineering Involving Halogen Bonding","CrystEngComm","2020","","","","","10.1039/D0CE00576B","","","0.71073","MoKα","","0.032","0.0258","","","0.0562","0.0591","","","","","","1.069","","","","has coordinates","252160","2020-10-21","18:00:00",""
"7240551","18.3265","0.0006","13.069","0.0003","18.5735","0.0006","90","","119.538","0.004","90","","3870.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Cl4 I2 P2 Pt -","- C38 H34 Cl4 I2 P2 Pt -","- C152 H136 Cl16 I8 P8 Pt4 -","4","1","","Suslonov, Vitalii V.; Eliseeva, Anastasiya A.; Novikov, Alexander S.; Ivanov, Daniil M.; Dubovtsev, Alexey Yu.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Tetrachloroplatinate(II) Anion as a Square-planar Tecton for Crystal Engineering Involving Halogen Bonding","CrystEngComm","2020","","","","","10.1039/D0CE00576B","","","0.71073","MoKα","","0.0534","0.0456","","","0.0944","0.0976","","","","","","1.182","","","","has coordinates","252160","2020-10-21","18:00:00",""
"7240552","10.8208","0.0005","12.0593","0.0006","14.2648","0.0007","109.418","0.004","92.227","0.004","97.782","0.004","1732.36","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H60 Cl4 F4 I2 N2 P4 Pt -","- C78 H60 Cl4 F4 I2 N2 P4 Pt -","- C78 H60 Cl4 F4 I2 N2 P4 Pt -","1","0.5","","Suslonov, Vitalii V.; Eliseeva, Anastasiya A.; Novikov, Alexander S.; Ivanov, Daniil M.; Dubovtsev, Alexey Yu.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Tetrachloroplatinate(II) Anion as a Square-planar Tecton for Crystal Engineering Involving Halogen Bonding","CrystEngComm","2020","","","","","10.1039/D0CE00576B","","","0.71073","MoKα","","0.0378","0.0308","","","0.0663","0.0708","","","","","","1.045","","","","has coordinates","252160","2020-10-21","18:00:00",""
"7240553","12.70194","0.00013","15.37677","0.00017","15.55588","0.00017","90","","90","","90","","3038.29","0.06","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","mesaconitine","","","- C33 H45 N O11 -","- C33 H45 N O11 -","- C132 H180 N4 O44 -","4","1","","Zeng, Ziyu; Qasem, Ashraf M. A.; Kociok-Köhn, Gabriele; Rowan, Michael G.; Blagbrough, Ian S.","The 1α-hydroxy-A-rings of norditerpenoid alkaloids are twisted-boat conformers","RSC Advances","2020","10","32","18797","18805","10.1039/D0RA03811C","","x-ray","1.54184","CuKα","","0.0271","0.0268","","","0.068","0.0683","","","","","","1.039","","","","has coordinates","257999","2020-10-21","18:00:00",""
"7240554","8.9253","0.00009","13.08371","0.00015","9.80866","0.0001","90","","93.4553","0.0009","90","","1143.33","0.02","150","2","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","condelphine","","","- C25 H39 N O6 -","- C25 H39 N O6 -","- C50 H78 N2 O12 -","2","1","","Zeng, Ziyu; Qasem, Ashraf M. A.; Kociok-Köhn, Gabriele; Rowan, Michael G.; Blagbrough, Ian S.","The 1α-hydroxy-A-rings of norditerpenoid alkaloids are twisted-boat conformers","RSC Advances","2020","10","32","18797","18805","10.1039/D0RA03811C","","x-ray","1.54184","CuKα","","0.0301","0.0299","","","0.0757","0.0759","","","","","","1.062","","","","has coordinates","257999","2020-10-21","18:00:00",""
"7240555","9.9215","0.0014","11.0863","0.0016","12.2729","0.0017","111.943","0.002","102.76","0.002","106.552","0.002","1116","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 N2 O8 Zn -","- C25 H18 N2 O8 Zn -","- C50 H36 N4 O16 Zn2 -","2","1","","Zhou, Shan-He; Wang, Jun; Liu, Yi-Wei; Zhong, Yuyu; Sun, Yan-Chun; Xie, Bin; Ma, Aiqing; Singh, Amita; Muddassir, Mohd.; Kumar, Abhinav","Structures and photocatalytic properties of two new Zn(ii) coordination polymers based on semi-rigid V-shaped multicarboxylate ligands","RSC Advances","2020","10","32","18721","18727","10.1039/D0RA02222E","","","0.71073","MoKα","","0.0417","0.0326","","","0.0824","0.0866","","","","","","1.05","","","","has coordinates","258000","2020-10-21","18:00:00",""
"7240556","32.621","0.005","9.236","0.004","18.455","0.005","90","","98.21","0.02","90","","5503","3","250","0.1","250","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H38 N6 O14 Zn3 -","- C60 H38 N6 O14 Zn3 -","- C240 H152 N24 O56 Zn12 -","4","0.5","","Zhou, Shan-He; Wang, Jun; Liu, Yi-Wei; Zhong, Yuyu; Sun, Yan-Chun; Xie, Bin; Ma, Aiqing; Singh, Amita; Muddassir, Mohd.; Kumar, Abhinav","Structures and photocatalytic properties of two new Zn(ii) coordination polymers based on semi-rigid V-shaped multicarboxylate ligands","RSC Advances","2020","10","32","18721","18727","10.1039/D0RA02222E","","x-ray","1.54184","CuKα","","0.1236","0.0993","","","0.2785","0.3126","","","","","","1.066","","","","has coordinates,has disorder","258000","2020-10-21","18:00:00",""
"7240557","9.3938","0.0006","13.3012","0.0008","8.5716","0.0006","90","","90","","90","","1071.01","0.12","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C1.17 H12.84 Mn N2 O6 P2.83 -","- C1.17 H12.84 Mn N2 O6 P2.83 -","- C4.68 H51.36 Mn4 N8 O24 P11.32 -","4","0.5","","Mączka, Mirosław; Gągor, Anna; Pikul, Adam; Stefańska, Dagmara","Novel hypophosphite hybrid perovskites of [CH3NH2NH2][Mn(H2POO)3] and [CH3NH2NH2][Mn(H2POO)2.83(HCOO)0.17] exhibiting antiferromagnetic order and red photoluminescence","RSC Advances","2020","10","32","19020","19026","10.1039/D0RA03397A","","x-ray","0.71073","MoKα","","0.0497","0.0369","","","0.097","0.1063","","","","","","1.095","","","","has coordinates","257997","2020-10-21","18:00:00",""
"7240558","9.2009","0.0006","13.2604","0.0008","8.5408","0.0006","90","","90","","90","","1042.04","0.12","100","0.2","100","0.2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C H13 Mn N2 O6 P3 -","- C H13 Mn N2 O6 P3 -","- C4 H52 Mn4 N8 O24 P12 -","4","0.5","","Mączka, Mirosław; Gągor, Anna; Pikul, Adam; Stefańska, Dagmara","Novel hypophosphite hybrid perovskites of [CH3NH2NH2][Mn(H2POO)3] and [CH3NH2NH2][Mn(H2POO)2.83(HCOO)0.17] exhibiting antiferromagnetic order and red photoluminescence","RSC Advances","2020","10","32","19020","19026","10.1039/D0RA03397A","","x-ray","0.71073","MoKα","","0.029","0.0284","","","0.0825","0.0829","","","","","","1.183","","","","has coordinates","257997","2020-10-21","18:00:00",""
"7240559","9.4005","0.0006","13.299","0.0008","8.6191","0.0006","90","","90","","90","","1077.54","0.12","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C H13 Mn N2 O6 P3 -","- C H13 Mn N2 O6 P3 -","- C4 H52 Mn4 N8 O24 P12 -","4","0.5","","Mączka, Mirosław; Gągor, Anna; Pikul, Adam; Stefańska, Dagmara","Novel hypophosphite hybrid perovskites of [CH3NH2NH2][Mn(H2POO)3] and [CH3NH2NH2][Mn(H2POO)2.83(HCOO)0.17] exhibiting antiferromagnetic order and red photoluminescence","RSC Advances","2020","10","32","19020","19026","10.1039/D0RA03397A","","x-ray","0.71073","MoKα","","0.0432","0.0343","","","0.0929","0.1002","","","","","","1.054","","","","has coordinates","257997","2020-10-21","18:00:00",""
"7240560","6.207","0.0002","17.4113","0.0006","10.8693","0.0004","90","","99.503","0.001","90","","1158.55","0.07","178","2","178.27","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N O2 S -","- C14 H9 N O2 S -","- C56 H36 N4 O8 S4 -","4","1","","Lu, Shi-Chao; Wu, Botao; Zhang, Shi-Peng; Gong, Ya-Ling; Xu, Shu","K2S2O8-mediated radical cyclisation of 2-alkynylthioanisoles or -selenoanisoles: a green and regioselective route to 3-nitrobenzothiophenes and benzoselenophenes","RSC Advances","2020","10","32","19083","19087","10.1039/D0RA03894F","","","1.34139","GaKα","","0.0558","0.0543","","","0.1424","0.1441","","","","","","1.055","","","","has coordinates","257998","2020-10-21","18:00:00",""
"7240561","11.2883","0.0004","9.8313","0.0004","18.7276","0.0007","90","","101.498","0.004","90","","2036.65","0.14","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C100 H88 N8 O12 -","4","1","","Bakthadoss, Manickam; Surendar, Manickam","Cascade annulation reaction (CAR): highly diastereoselective synthesis of pyranopyrazole scaffolds","RSC Advances","2020","10","32","19003","19007","10.1039/D0RA03400B","","","0.71073","MoKα","","0.0809","0.0497","","","0.1155","0.1334","","","","","","1.035","","","","has coordinates","258001","2020-10-21","18:00:00",""
"7240562","9.6663","0.0014","10.7447","0.0016","10.7533","0.001","66.9","0.012","85.83","0.01","80.391","0.012","1012.9","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 N2 O3 -","- C25 H18 N2 O3 -","- C50 H36 N4 O6 -","2","1","","Bakthadoss, Manickam; Surendar, Manickam","Cascade annulation reaction (CAR): highly diastereoselective synthesis of pyranopyrazole scaffolds","RSC Advances","2020","10","32","19003","19007","10.1039/D0RA03400B","","","0.71073","MoKα","","0.0583","0.0455","","","0.1134","0.1231","","","","","","1.029","","","","has coordinates","258001","2020-10-21","18:00:00",""
"7240563","19.8306","0.0005","27.6106","0.001","20.8093","0.0009","90","","91.117","0.003","90","","11391.7","0.7","293","2","293","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","Ag43","","- C166 H0.5 Ag43 F24 O28 S8 -","- C168 Ag43 F12 O24 S8 -","- C336 Ag86 F24 O48 S16 -","2","0.25","","Li, Ting; Cui, Xiaoqin; Liang, Linfeng; Luo, Cui; Li, Huan; Zhang, Xian-Ming","A triflate and alkynyl protected Ag43 nanocluster with a passivated surface","RSC Advances","2020","10","33","19397","19400","10.1039/D0RA01244K","","","1.54184","CuKα","","0.1479","0.1218","","","0.3819","0.4054","","","","","","1.463","","","","has coordinates,has disorder","258017","2020-10-21","18:00:00",""
"7240564","8.3651","0.0006","9.9433","0.0007","27.584","0.002","90","","90","","90","","2294.3","0.3","100","2","100.04","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-(bis(/m2-beta-Alanine)-lithium perchlotate)","","- C6 H14 Cl Li N2 O8 -","- C6 H14 Cl Li N2 O8 -","- C48 H112 Cl8 Li8 N16 O64 -","8","1","","Marek, Paulina Halina; Cichowicz, Grzegorz; Osowicka, Dorota; Madura, Izabela Dorota; Dobrzycki, Lukasz; Cyranski, Michal; Ciesielski, Arkadiusz","Polymorphism and structural diversities of LiClO4 - β-alanine ionic co-crystals","CrystEngComm","2020","","","","","10.1039/D0CE00592D","","","0.71073","MoKα","","0.0403","0.0358","","","0.0835","0.086","","","","","","1.178","","","","has coordinates","252267","2020-10-21","18:00:00",""
"7240565","24.143","0.003","5.0111","0.0007","14.528","0.002","90","","125.825","0.003","90","","1425.1","0.3","100","2","100.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-(/m-3-beta-Alanine-lithium perchlorate)","","- C3 H7 Cl Li N O6 -","- C3 H7 Cl Li N O6 -","- C24 H56 Cl8 Li8 N8 O48 -","8","1","","Marek, Paulina Halina; Cichowicz, Grzegorz; Osowicka, Dorota; Madura, Izabela Dorota; Dobrzycki, Lukasz; Cyranski, Michal; Ciesielski, Arkadiusz","Polymorphism and structural diversities of LiClO4 - β-alanine ionic co-crystals","CrystEngComm","2020","","","","","10.1039/D0CE00592D","","","0.71073","MoKα","","0.0306","0.0276","","","0.0706","0.0727","","","","","","1.109","","","","has coordinates","252267","2020-10-21","18:00:00",""
"7240566","4.9667","0.0006","8.441","0.0011","13.941","0.0018","90","","95.899","0.004","90","","581.37","0.13","100","0.5","100","0.5","","","","","","","","6","P 1 21 1","P 2yb","4","","catena-(bis(/m-2-beta-Alanine)-lithium perchlorate)","","- C6 H14 Cl Li N2 O8 -","- C6 H14 Cl Li N2 O8 -","- C12 H28 Cl2 Li2 N4 O16 -","2","1","","Marek, Paulina Halina; Cichowicz, Grzegorz; Osowicka, Dorota; Madura, Izabela Dorota; Dobrzycki, Lukasz; Cyranski, Michal; Ciesielski, Arkadiusz","Polymorphism and structural diversities of LiClO4 - β-alanine ionic co-crystals","CrystEngComm","2020","","","","","10.1039/D0CE00592D","","","0.71073","MoKα","","0.0264","0.0258","","","0.0644","0.0648","","","","","","1.081","","","","has coordinates,has disorder","252267","2020-10-21","18:00:00",""
"7240567","14.625","0.0012","16.5741","0.0014","16.2669","0.0014","90","","107.071","0.003","90","","3769.3","0.6","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C56 H98 N16 Ni2 O13 V4 -","- C56 H98 N16 Ni2 O13 V4 -","- C112 H196 N32 Ni4 O26 V8 -","2","0.5","","Dou, Ming-Yu; Zhong, Dan-Dan; Huang, Xianqiang; Yang, Guo-Yu","Imidazole-induced self-assembly of polyoxovanadate cluster organic framework for efficient Knoevenagel condensation under mild conditions","CrystEngComm","2020","","","","","10.1039/D0CE00660B","","","0.71073","MoKα","","0.1794","0.0755","","","0.1968","0.2369","","","","","","0.853","","","","has coordinates","252294","2020-10-21","18:00:00",""
"7240568","11.876","0.0009","12.2282","0.0011","17.4796","0.0014","90","","101.696","0.003","90","","2485.7","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H54 N8 Ni2 O38 V10 -","- C20 H54 N8 Ni2 O38 V10 -","- C40 H108 N16 Ni4 O76 V20 -","2","0.5","","Dou, Ming-Yu; Zhong, Dan-Dan; Huang, Xianqiang; Yang, Guo-Yu","Imidazole-induced self-assembly of polyoxovanadate cluster organic framework for efficient Knoevenagel condensation under mild conditions","CrystEngComm","2020","","","","","10.1039/D0CE00660B","","","0.71073","MoKα","","0.1328","0.0856","","","0.2204","0.2432","","","","","","0.996","","","","has coordinates","252294","2020-10-21","18:00:00",""
"7240569","19.4747","0.0016","9.2565","0.0008","14.0833","0.0012","90","","106.177","0.002","90","","2438.2","0.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H50 N4 Ni2 O42 V10 -","- C12 H50 N4 Ni2 O42 V10 -","- C24 H100 N8 Ni4 O84 V20 -","2","0.25","","Dou, Ming-Yu; Zhong, Dan-Dan; Huang, Xianqiang; Yang, Guo-Yu","Imidazole-induced self-assembly of polyoxovanadate cluster organic framework for efficient Knoevenagel condensation under mild conditions","CrystEngComm","2020","","","","","10.1039/D0CE00660B","","","0.71073","MoKα","","0.0744","0.0544","","","0.1546","0.172","","","","","","1.105","","","","has coordinates,has disorder","252294","2020-10-21","18:00:00",""
"7240570","23.2258","0.0013","13.1165","0.0006","27.3081","0.0015","90","","141.282","0.003","90","","5203.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 Cd N6 O7.5 -","- C26 H19.5 Cd N6 O7.5 -","- C208 H156 Cd8 N48 O60 -","8","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","0.71073","MoKα","","0.0543","0.0383","","","0.0749","0.0829","","","","","","0.942","","","","has coordinates","252295","2020-10-21","18:00:00",""
"7240571","27.3745","0.0002","27.3745","0.0002","21.5185","0.0003","90","","90","","120","","13964.8","0.2","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C27 H27 Cd N5 O5 -","- C24 H20 Cd N4 O4 -","- C432 H360 Cd18 N72 O72 -","18","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","1.54178","CuKα","","0.0447","0.0401","","","0.1031","0.1056","","","","","","1.054","","","","has coordinates","252295","2020-10-21","18:00:00",""
"7240572","15.9688","0.0012","13.5758","0.0011","24.2054","0.0019","90","","96.245","0.001","90","","5216.3","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Cd N6 O6 -","- C27 H18 Cd N6 O4 -","- C216 H144 Cd8 N48 O32 -","8","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","0.71073","MoKα","","0.0773","0.0435","","","0.1106","0.1263","","","","","","0.826","","","","has coordinates","252295","2020-10-21","18:00:00",""
"7240573","16.1586","0.0006","13.6399","0.0006","24.0329","0.0008","90","","95.622","0.003","90","","5271.4","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H19 Cd N7 O8 -","- C26 H15 Cd N7 O6 -","- C208 H120 Cd8 N56 O48 -","8","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","1.54178","CuKα","","0.0494","0.0427","","","0.1377","0.1447","","","","","","1.062","","","","has coordinates","252295","2020-10-21","18:00:00",""
"7240574","23.0883","0.0006","23.0883","0.0006","47.6538","0.0017","90","","90","","120","","21999.5","1.1","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C20 H12 Cd N4 O4 -","- C20 H12 Cd N4 O4 -","- C720 H432 Cd36 N144 O144 -","36","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","0.71073","MoKα","","0.1259","0.0597","","","0.1317","0.1576","","","","","","0.862","","","","has coordinates","252295","2020-10-21","18:00:00",""
"7240575","15.6834","0.0005","13.4629","0.0004","23.9857","0.0009","90","","95.29","0.003","90","","5042.9","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cd N6 O5.5 -","- C26 H18 Cd N6 O5.5 -","- C208 H144 Cd8 N48 O44 -","8","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","1.54184","CuKα","","0.0389","0.0326","","","0.0919","0.0997","","","","","","0.809","","","","has coordinates","252295","2020-10-21","18:00:00",""
"7240576","10.5292","0.0009","11.1315","0.001","15.3249","0.0014","73.201","0.003","78.789","0.003","77.578","0.002","1662.4","0.3","","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 Cu N6 O9 -","- C22 H23 Cu N6 O9 -","- C44 H46 Cu2 N12 O18 -","2","1","","I., Mantasha; Shahid, M.; Saleh, Hatem A. M.; Qasem, Khalil M. A.; Ahmad, Musheer","A novel sustainable metal organic framework as the ultimate aqueous phase sensor for natural hazards: detection of nitrobenzene and F− at the ppb level and rapid and selective adsorption of methylene blue","CrystEngComm","2020","","","","","10.1039/D0CE00356E","","","0.71073","MoKα","","0.077","0.0567","","","0.1612","0.1761","","","","","","1.1396","","","","has coordinates","252296","2020-10-21","18:00:00",""
"7240577","16.8829","0.0011","35.023","0.002","15.955","0.001","90","","91.019","0.001","90","","9432.5","1","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C80.21 H81.43 N19 O22.43 Ru S6 -","- C80.212 H81.424 N19 O22.424 Ru S6 -","- C320.848 H325.696 N76 O89.696 Ru4 S24 -","4","0.5","","Handke, Marcel; Wu, Yang; Li, Yuantao; Hu, Chunhua T.; Ward, Michael D.","Encapsulation of the [Ru(bpy)3]2+ luminophore in a unique hydrogen-bonded host framework","CrystEngComm","2020","","","","","10.1039/D0CE00680G","","","0.71073","MoKα","","0.0943","0.0827","","","0.2861","0.3128","","","","","","1.753","","","","has coordinates,has disorder","252297","2020-10-21","18:00:00",""
"7240578","12.2892","0.0004","20.1324","0.0004","18.9867","0.0005","90","","102.411","0.003","90","","4587.7","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H80 O28 P4 V10 -","- C96 H80 O28 P4 V10 -","- C192 H160 O56 P8 V20 -","2","0.5","","Li, Chifeng; Mizuno, Noritaka; Murata, Kei; Ishii, Kazuyuki; Suenobu, Tomoyoshi; Yamaguchi, Kazuya; Suzuki, Kosuke","Selectivity switch in the aerobic oxygenation of sulfides photocatalysed by visible-light-responsive decavanadate","Green Chemistry","2020","22","12","3896","3905","10.1039/D0GC01500H","","","0.71073","MoKα","","0.0796","0.0521","","","0.1163","0.1285","","","","","","1.017","","","","has coordinates","257624","2020-10-21","18:00:00",""
"7240579","19.985","0.003","7.6989","0.001","21.093","0.004","90","","90","","90","","3245.4","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H19 N7 O2 -","- C15 H19 N7 O2 -","- C120 H152 N56 O16 -","8","1","","Colombo Dugoni, Greta; Baggioli, Alberto; Famulari, Antonino; Sacchetti, Alessandro; Martí-Rujas, Javier; Mariani, Mario; Macerata, Elena; Mossini, Eros; Mele, Andrea","Structural properties of the chelating agent 2,6-bis(1-(3-hydroxypropyl)-1,2,3-triazol-4-yl)pyridine: a combined XRD and DFT structural study","RSC Advances","2020","10","33","19629","19635","10.1039/D0RA04142D","","","1.54178","CuKα","","0.0459","0.0405","","","0.1012","0.1062","","","","","","1.061","","","","has coordinates","258014","2020-10-21","18:00:00",""
"7240580","12.2814","0.0014","12.4871","0.0016","16.249","0.002","90","","90","","90","","2491.9","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 N5 O5 -","- C29 H27 N5 O5 -","- C116 H108 N20 O20 -","4","1","","Patel, Divyang M.; Patel, Hetal J.; Padrón, José M.; Patel, Hitendra M.","A novel substrate directed multicomponent reaction for the syntheses of tetrahydro-spiro[pyrazolo[4,3-f]quinoline]-8,5′-pyrimidines and tetrahydro-pyrazolo[4,3-f]pyrimido[4,5-b]quinolines via selective multiple C‒C bond formation under metal-free conditions","RSC Advances","2020","10","33","19600","19609","10.1039/D0RA02990D","","","0.71073","MoKα","","0.0661","0.0517","","","0.1406","0.152","","","","","","1.075","","","","has coordinates","258016","2020-10-21","18:00:00",""
"7240581","9.6991","0.0004","15.1736","0.0007","18.5825","0.0009","90","","101.75","0.002","90","","2677.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Cl2 N5 O3 -","- C27 H21 Cl2 N5 O3 -","- C108 H84 Cl8 N20 O12 -","4","1","","Patel, Divyang M.; Patel, Hetal J.; Padrón, José M.; Patel, Hitendra M.","A novel substrate directed multicomponent reaction for the syntheses of tetrahydro-spiro[pyrazolo[4,3-f]quinoline]-8,5′-pyrimidines and tetrahydro-pyrazolo[4,3-f]pyrimido[4,5-b]quinolines via selective multiple C‒C bond formation under metal-free conditions","RSC Advances","2020","10","33","19600","19609","10.1039/D0RA02990D","","","0.71073","MoKα","","0.1904","0.1802","","","0.5419","0.5603","","","","","","2.792","","","","has coordinates","258016","2020-10-21","18:00:00",""
"7240582","10.1063","0.0013","10.6214","0.0012","12.8286","0.0016","94.851","0.004","97.256","0.004","111.253","0.003","1260.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Br N5 O2 -","- C18 H12 Br N5 O2 -","- C36 H24 Br2 N10 O4 -","2","1","","Patel, Divyang M.; Patel, Hetal J.; Padrón, José M.; Patel, Hitendra M.","A novel substrate directed multicomponent reaction for the syntheses of tetrahydro-spiro[pyrazolo[4,3-f]quinoline]-8,5′-pyrimidines and tetrahydro-pyrazolo[4,3-f]pyrimido[4,5-b]quinolines via selective multiple C‒C bond formation under metal-free conditions","RSC Advances","2020","10","33","19600","19609","10.1039/D0RA02990D","","","0.71073","MoKα","","0.0795","0.0584","","","0.1734","0.1865","","","","","","1.053","","","","has coordinates","258016","2020-10-21","18:00:00",""
"7240583","4.9726","0.0002","14.6836","0.0005","14.4255","0.0005","90","","98.154","0.004","90","","1042.64","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C24 H17 N5 O4 Se -","- C24 H17 N5 O4 Se -","- C48 H34 N10 O8 Se2 -","2","1","","Fellowes, Thomas; van Koeverden, Martin P.; White, Jonathan","Thermal conversion of a pyridine solvate to a de-solvate facilitated by rearrangement of chalcogen bonds. The solvate and non-solvate structures of N-(2-nitro-4-(3-oxobenzo[d][1,2]selenazol-2(3H)-yl)phenyl)picolinamide","CrystEngComm","2020","","","","","10.1039/D0CE00662A","","x-ray","1.54184","CuKα","","0.0447","0.0422","","","0.1088","0.1106","","","","","","1.099","","","","has coordinates","252419","2020-10-21","18:00:00",""
"7240584","12.652","0.003","7.525","0.0015","34.367","0.007","90","","90","","90","","3272","1.2","100","0.2","100","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H12 N4 O4 Se -","- C19 H12 N4 O4 Se -","- C152 H96 N32 O32 Se8 -","8","1","","Fellowes, Thomas; van Koeverden, Martin P.; White, Jonathan","Thermal conversion of a pyridine solvate to a de-solvate facilitated by rearrangement of chalcogen bonds. The solvate and non-solvate structures of N-(2-nitro-4-(3-oxobenzo[d][1,2]selenazol-2(3H)-yl)phenyl)picolinamide","CrystEngComm","2020","","","","","10.1039/D0CE00662A","","","0.82656","Synchrotron","","0.0758","0.0601","","","0.1641","0.1802","","","","","","1.037","","","","has coordinates","252419","2020-10-21","18:00:00",""
"7240585","8.0733","0.0012","8.0733","0.0012","101.06","0.017","90","","90","","90","","6586.9","1.8","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C37 H37 N3 O6 S -","- C37 H37 N3 O6 S -","- C296 H296 N24 O48 S8 -","8","1","","Riebe, Steffen; Zimmermann, Alexander; Koch, Johannes; Vallet, Cecilia; Knauer, Shirley K.; Sowa, Andrea; Wölper, Christoph; Voskuhl, Jens","Lipofection with estrone-based luminophores featuring aggregation-induced emission properties","RSC Advances","2020","10","33","19643","19647","10.1039/D0RA03608K","","","1.54178","CuKα","","0.0989","0.0985","","","0.2257","0.2258","","","","","","1.347","","","","has coordinates","258015","2020-10-21","18:00:00",""
"7240586","12.4021","0.0012","12.3286","0.0012","13.1324","0.0013","90","","105.544","0.001","90","","1934.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cu N7 O8 -","- C17 H15 Cu N7 O8 -","- C68 H60 Cu4 N28 O32 -","4","1","","Jiang, Zhan-Guo; Wu, Xin; Xu, Zhong-Xuan; Zhan, Cai-Hong; Zhang, Jian","Synthesis and photocatalytic activities of two homochiral metal-organic frameworks with cages and hydrogen bonding helices","CrystEngComm","2020","","","","","10.1039/D0CE00700E","","","0.71073","MoKα","","0.036","0.0288","","","0.0772","0.083","","","","","","1.001","","","","has coordinates","252467","2020-10-21","18:00:00",""
"7240587","10.272","0.003","15.184","0.004","16.2","0.004","100.009","0.003","99.61","0.003","108.045","0.003","2299.2","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 Cu2 N14 O18 -","- C42 H34 Cu2 N14 O18 -","- C84 H68 Cu4 N28 O36 -","2","1","","Jiang, Zhan-Guo; Wu, Xin; Xu, Zhong-Xuan; Zhan, Cai-Hong; Zhang, Jian","Synthesis and photocatalytic activities of two homochiral metal-organic frameworks with cages and hydrogen bonding helices","CrystEngComm","2020","","","","","10.1039/D0CE00700E","","","0.71073","MoKα","","0.0942","0.0546","","","0.1336","0.1587","","","","","","1.011","","","","has coordinates","252467","2020-10-21","18:00:00",""
"7240588","7.2353","0.0005","11.8726","0.001","14.19","0.001","108.038","0.007","100.678","0.006","101.982","0.007","1092.21","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H34 Ag2 N4 O10 -","- C52 H34 Ag2 N4 O10 -","- C52 H34 Ag2 N4 O10 -","1","0.5","","Baruah, Jubaraj Bikash; Singh, Munendra Pal","Photophysical Properties of Ag, Zn, Cd having N-(4-Pyridylmethyl)-1,8-naphthalimide Complexes: Influences of π-Stacking and C-H···O Interactions","CrystEngComm","2020","","","","","10.1039/D0CE00555J","","","0.71073","MoKα","","0.0768","0.0498","","","0.1313","0.1754","","","","","","1.033","","","","has coordinates","252468","2020-10-21","18:00:00",""
"7240589","7.6965","0.0005","17.3729","0.0011","17.6113","0.0011","90","","95.011","0.004","90","","2345.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H42 N4 O12 Zn -","- C54 H42 N4 O12 Zn -","- C108 H84 N8 O24 Zn2 -","2","0.5","","Baruah, Jubaraj Bikash; Singh, Munendra Pal","Photophysical Properties of Ag, Zn, Cd having N-(4-Pyridylmethyl)-1,8-naphthalimide Complexes: Influences of π-Stacking and C-H···O Interactions","CrystEngComm","2020","","","","","10.1039/D0CE00555J","","","0.71073","MoKα","","0.0641","0.0404","","","0.1183","0.1297","","","","","","1.053","","","","has coordinates","252468","2020-10-21","18:00:00",""
"7240590","7.5973","0.0005","17.7923","0.0012","17.7217","0.0012","90","","92.451","0.004","90","","2393.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H42 Cd N4 O12 -","- C54 H42 Cd N4 O12 -","- C108 H84 Cd2 N8 O24 -","2","0.5","","Baruah, Jubaraj Bikash; Singh, Munendra Pal","Photophysical Properties of Ag, Zn, Cd having N-(4-Pyridylmethyl)-1,8-naphthalimide Complexes: Influences of π-Stacking and C-H···O Interactions","CrystEngComm","2020","","","","","10.1039/D0CE00555J","","","0.71073","MoKα","","0.0658","0.0439","","","0.1166","0.1257","","","","","","1.044","","","","has coordinates","252468","2020-10-21","18:00:00",""
"7240591","11.4024","0.0002","11.021","0.0003","17.2462","0.0003","90","","90.347","0.002","90","","2167.22","0.08","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O4 -","- C27 H23 N O4 -","- C108 H92 N4 O16 -","4","1","","Mousavi, S. Hekmat; Mohammadizadeh, Mohammad Reza; Arimitsu, Satoru; Saberi, Dariush; Poorsadeghi, Samira; Genta, Kojya","Metal-free syntheses of new azocines via addition reactions of enaminones with acenaphthoquinone followed by oxidative cleavages of the corresponding vicinal diols","RSC Advances","2020","10","35","20552","20557","10.1039/D0RA02852E","","x-ray","0.71073","MoKα","","0.0827","0.0546","","","0.1084","0.1215","","","","","","1.035","","","","has coordinates","258127","2020-10-21","18:00:00",""
"7240592","8.164","0.0003","8.5511","0.0004","19.877","0.0007","93.396","0.003","99.154","0.003","117.195","0.004","1204.69","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","6-methyl-2-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)pyrimidin-4(3H)-one","","- C13 H16 N4 O -","- C13 H16 N4 O -","- C52 H64 N16 O4 -","4","2","","Poirier, Marion; Pujol-Giménez, Jonai; Manatschal, Cristina; Bühlmann, Sven; Embaby, Ahmed; Javor, Sacha; Hediger, Matthias A.; Reymond, Jean-Louis","Pyrazolyl-pyrimidones inhibit the function of human solute carrier protein SLC11A2 (hDMT1) by metal chelation","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00085J","","x-ray","0.71073","MoKα","","0.0726","0.0484","","","0.1063","0.1186","","","","","","1.013","","","","has coordinates,has disorder","252561","2020-10-21","18:00:00",""
"7240593","18.8002","0.0002","9.6241","0.0001","14.373","0.0002","90","","90","","90","","2600.58","0.05","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-(3-ethyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)-6-methylpyrimidin-4(3H)-one","","- C14 H18 N4 O -","- C14 H18 N4 O -","- C112 H144 N32 O8 -","8","1","","Poirier, Marion; Pujol-Giménez, Jonai; Manatschal, Cristina; Bühlmann, Sven; Embaby, Ahmed; Javor, Sacha; Hediger, Matthias A.; Reymond, Jean-Louis","Pyrazolyl-pyrimidones inhibit the function of human solute carrier protein SLC11A2 (hDMT1) by metal chelation","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00085J","","x-ray","0.71073","MoKα","","0.044","0.0355","","","0.0871","0.0938","","","","","","1.043","","","","has coordinates","252561","2020-10-21","18:00:00",""
"7240594","8.66205","0.00005","14.39226","0.00006","9.94738","0.00004","90","","90.8062","0.0004","90","","1239.98","0.01","173.01","0.1","173.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","6-ethyl-4-hydroxy-2-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)pyrimidin-1-ium","","- C10 H15 Cl N4 O3 -","- C10 H15 Cl N4 O3 -","- C40 H60 Cl4 N16 O12 -","4","2","","Poirier, Marion; Pujol-Giménez, Jonai; Manatschal, Cristina; Bühlmann, Sven; Embaby, Ahmed; Javor, Sacha; Hediger, Matthias A.; Reymond, Jean-Louis","Pyrazolyl-pyrimidones inhibit the function of human solute carrier protein SLC11A2 (hDMT1) by metal chelation","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00085J","","x-ray","1.54184","CuKα","","0.0258","0.0242","","","0.0589","0.0604","","","","","","1.069","","","","has coordinates","252561","2020-10-21","18:00:00",""
"7240595","6.4707","0.0003","6.4978","0.0002","13.6439","0.0005","96.434","0.003","102.426","0.004","94.819","0.003","553.23","0.04","100","0.5","100","0.5","","","","","","","Penicillium chrysogenum CCTCC M 2020019","5","P -1","-P 1","2","","Xanthocillin X","","- C11 H12 N O2 S -","- C11 H12 N O2 S -","- C22 H24 N2 O4 S2 -","2","1","","Khan, Imran; Zhang, Haibo; Liu, Wei; Zhang, Liping; Peng, Fang; Chen, Yuchan; Zhang, Qingbo; Zhang, Guangtao; Zhang, Weimin; Zhang, Changsheng","Identification and bioactivity evaluation of secondary metabolites from Antarctic-derived Penicillium chrysogenum CCTCC M 2020019","RSC Advances","2020","10","35","20738","20744","10.1039/D0RA03529G","","x-ray","1.54184","CuKα","","0.0465","0.0457","","","0.1357","0.1367","","","","","","1.1","","","","has coordinates","258126","2020-10-21","18:00:00",""
"7240596","12.9027","0.0009","6.9592","0.0004","18.0598","0.0016","90","","90","","90","","1621.6","0.2","105","8","105","8","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-[2-trans-(4-hydroxyphenyl) ethenyl] formamide","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C72 H72 N8 O16 -","8","1","","Khan, Imran; Zhang, Haibo; Liu, Wei; Zhang, Liping; Peng, Fang; Chen, Yuchan; Zhang, Qingbo; Zhang, Guangtao; Zhang, Weimin; Zhang, Changsheng","Identification and bioactivity evaluation of secondary metabolites from Antarctic-derived Penicillium chrysogenum CCTCC M 2020019","RSC Advances","2020","10","35","20738","20744","10.1039/D0RA03529G","","x-ray","1.54184","CuKα","","0.0605","0.0437","","","0.1136","0.1227","","","","","","1.068","","","","has coordinates","258126","2020-10-21","18:00:00",""
"7240597","6.9104","0.0003","19.6432","0.0007","14.0505","0.0005","90","","100.235","0.004","90","","1876.9","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N4 O2 S -","- C21 H18 N4 O2 S -","- C84 H72 N16 O8 S4 -","4","1","","Arshad, Nasima; Rafiq, Mamoona; Ujan, Rabail; Saeed, Aamer; Farooqi, Shahid I.; Perveen, Fouzia; Channar, Pervaiz Ali; Ashraf, Saba; Abbas, Qamar; Ahmed, Ashfaq; Hokelek, Tuncer; Kaur, Manpreet; Jasinski, Jerry P.","Synthesis, X-ray crystal structure elucidation and Hirshfeld surface analysis of N-((4-(1H-benzo[d]imidazole-2-yl)phenyl)carbamothioyl)benzamide: investigations for elastase inhibition, antioxidant and DNA binding potentials for biological applications","RSC Advances","2020","10","35","20837","20851","10.1039/D0RA02501A","","x-ray","0.71073","MoKα","","0.0856","0.057","","","0.1497","0.1744","","","","","","1.027","","","","has coordinates","258125","2020-10-21","18:00:00",""
"7240598","9.7632","0.0018","7.9567","0.0015","12.92","0.003","90","","106.11","0.02","90","","964.2","0.4","293","2","293.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 Eu2 O15 -","- C15 H18 Eu2 O15 -","- C30 H36 Eu4 O30 -","2","0.5","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71073","MoKα","","0.0328","0.0251","","","0.055","0.0595","","","","","","1.071","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240599","13.802","0.003","7.5145","0.0003","23.844","0.006","90","","148","0.06","90","","1310","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Eu O7 -","- C12 H11 Eu O7 -","- C48 H44 Eu4 O28 -","4","1","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71073","MoKα","","0.0281","0.0213","","","0.0443","0.047","","","","","","1.062","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240600","9.7575","0.0009","7.9696","0.0007","12.8428","0.0015","90","","106.131","0.011","90","","959.38","0.17","293","2","293.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 O15 Tb2 -","- C15 H18 O15 Tb2 -","- C30 H36 O30 Tb4 -","2","0.5","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71","MoKα","","0.0709","0.0613","","","0.1448","0.1534","","","","","","1.087","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240601","13.758","0.003","7.4103","0.0002","23.889","0.005","90","","148.21","0.05","90","","1283","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Dy O7 -","- C12 H11 Dy O7 -","- C48 H44 Dy4 O28 -","4","1","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71073","MoKα","","0.022","0.0182","","","0.0417","0.0433","","","","","","1.094","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240602","13.79","0.008","7.4571","0.0008","23.894","0.014","90","","148.12","0.15","90","","1298","6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 O7 Tb -","- C12 H11 O7 Tb -","- C48 H44 O28 Tb4 -","4","1","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71073","MoKα","","0.0957","0.0759","","","0.185","0.2067","","","","","","1.068","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240603","9.759","0.002","7.9677","0.0016","12.79","0.003","90","","106.22","0.03","90","","954.9","0.4","293","2","293.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 Dy2 O15 -","- C15 H18 Dy2 O15 -","- C30 H36 Dy4 O30 -","2","0.5","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71","MoKα","","0.11","0.0963","","","0.2124","0.2233","","","","","","1.076","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240604","7.597","0.003","9.73","0.004","37.763","0.014","84.846","0.009","86.089","0.008","88.219","0.009","2772.8","1.9","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C123 H210 O6 -","- C123 H210 O6 -","- C123 H210 O6 -","1","1","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.0729","0.0461","","","0.0903","0.0964","","","","","","0.907","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240605","10.7439","0.0005","13.6989","0.0006","38.1228","0.0019","90","","93.002","0.002","90","","5603.2","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Sitosterol Gallic acid cocrystal","","- C123 H206 O9 -","- C123 H206 O9 -","- C246 H412 O18 -","2","1","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.1117","0.0897","","","0.2458","0.2775","","","","","","1.053","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240606","9.439","0.002","7.5391","0.0016","39.635","0.008","90","","95.216","0.006","90","","2808.8","1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30.5 H54 O2.5 -","- C30.5 H54 O2.5 -","- C122 H216 O10 -","4","2","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.3086","0.0446","","","0.0582","0.092","","","","","","0.743","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7240607","7.581","0.002","9.702","0.003","36.973","0.009","82.962","0.005","86.112","0.005","89.74","0.005","2692.7","1.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C121 H209 N O6 -","- C121 H209 N O6 -","- C121 H209 N O6 -","1","1","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.1676","0.1056","","","0.1872","0.2302","","","","","","1.314","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240608","77.42","0.02","7.6086","0.0018","9.924","0.003","90","","90.948","0.007","90","","5845","3","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C64 H109 O8 -","- C64 H109 O8 -","- C256 H436 O32 -","4","1","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.158","0.0602","","","0.0934","0.1154","","","","","","0.881","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240609","26.373","0.003","7.4971","0.0007","27.183","0.003","90","","92.569","0.006","90","","5369.2","1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Sitosterol Propionic acid hydrate cocrystal form II","","- C29.75 H52 O1.75 -","- C29.75 H52 O1.75 -","- C238 H416 O14 -","8","4","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.3448","0.1012","","","0.1599","0.2356","","","","","","0.95","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7240610","6.92433","0.00019","7.46902","0.00018","26.5125","0.0006","90","","90.785","0.002","90","","1371.04","0.06","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cl3 Ga N2 -","- C12 H10 Cl3 Ga N2 -","- C48 H40 Cl12 Ga4 N8 -","4","1","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54178","CuKα","","0.0357","0.0279","","","0.0688","0.0705","","","","","","0.965","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240611","6.51299","0.00012","11.7499","0.0003","12.0716","0.0002","90","","90.8579","0.0017","90","","923.7","0.03","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cl6 Ga2 N2 -","- C12 H10 Cl6 Ga2 N2 -","- C24 H20 Cl12 Ga4 N4 -","2","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","","1.54178","CuKα","","0.0251","0.0217","","","0.0557","0.0567","","","","","","0.985","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240612","6.5757","0.0003","11.6146","0.0004","12.0455","0.0004","90","","91.122","0.003","90","","919.79","0.06","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Al2 Cl6 N2 -","- C12 H10 Al2 Cl6 N2 -","- C24 H20 Al4 Cl12 N4 -","2","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54178","CuKα","","0.0321","0.0239","","","0.0566","0.0583","","","","","","0.917","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240613","11.9814","0.0004","28.3968","0.0008","26.3183","0.0008","90","","100.16","0.003","90","","8814","0.5","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H70 Cl12 Ga4 N14 -","- C84 H70 Cl12 Ga4 N14 -","- C336 H280 Cl48 Ga16 N56 -","4","1","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54178","CuKα","","0.0608","0.0311","","","0.0547","0.0609","","","","","","0.849","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240614","6.60794","0.00017","8.51954","0.00013","18.026","0.0003","90","","96.55","0.002","90","","1008.18","0.03","123","0.14","123","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Al2 Br6 N2 -","- C12 H10 Al2 Br6 N2 -","- C24 H20 Al4 Br12 N4 -","2","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54184","CuKα","","0.0188","0.0174","","","0.038","0.0386","","","","","","1.119","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240615","6.56821","0.00014","8.50459","0.00016","18.1626","0.0004","90","","96.7181","0.0019","90","","1007.6","0.04","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","beta polymorph","","","- C12 H10 Br6 Ga2 N2 -","- C12 H10 Br6 Ga2 N2 -","- C24 H20 Br12 Ga4 N4 -","2","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","","1.54178","CuKα","","0.0298","0.0243","","","0.0612","0.0627","","","","","","0.987","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240616","6.51032","0.00016","12.2531","0.0003","12.4379","0.0003","90","","90.552","0.002","90","","992.15","0.04","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","alpha-polymorph","","","- C12 H10 Br6 Ga2 N2 -","- C12 H10 Br6 Ga2 N2 -","- C24 H20 Br12 Ga4 N4 -","2","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","","1.54178","CuKα","","0.0441","0.0332","","","0.0885","0.0927","","","","","","0.999","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240617","11.6526","0.0003","14.1736","0.0003","16.6431","0.0004","106.005","0.002","97.842","0.002","91.731","0.002","2610.86","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Al4 Br12 N6 -","- C36 H30 Al4 Br12 N6 -","- C72 H60 Al8 Br24 N12 -","2","1","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","","1.54178","CuKα","","0.0329","0.0288","","","0.0709","0.0736","","","","","","1.026","","","","has coordinates,has disorder","252629","2020-10-21","18:00:00",""
"7240618","13.0928","0.0007","14.0601","0.001","14.3775","0.0007","95.542","0.005","96.105","0.004","106.587","0.005","2499.7","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H80 Br12 Ga4 N16 -","- C96 H80 Br12 Ga4 N16 -","- C96 H80 Br12 Ga4 N16 -","1","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","","1.54178","CuKα","","0.0878","0.0709","","","0.1927","0.2078","","","","","","1.088","","","","has coordinates,has disorder","252629","2020-10-21","18:00:00",""
"7240619","7.5187","0.0003","8.8335","0.0003","11.7115","0.0005","79.201","0.003","84.35","0.003","76.67","0.003","742.23","0.05","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Br6 Ga2 N4 -","- C24 H20 Br6 Ga2 N4 -","- C24 H20 Br6 Ga2 N4 -","1","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","","1.54178","CuKα","","0.0232","0.0198","","","0.0487","0.0494","","","","","","0.967","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240620","23.547","0.0007","12.0475","0.0003","8.0311","0.0002","90","","90","","90","","2278.28","0.1","90","2","90","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H11 Br N2 -","- C12 H11 Br N2 -","- C96 H88 Br8 N16 -","8","1","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54178","CuKα","","0.0583","0.0355","","","0.0698","0.0737","","","","","","1.006","","","","has coordinates,has disorder","252629","2020-10-21","18:00:00",""
"7240621","11.3604","0.0004","13.2572","0.0004","14.17","0.0004","82.947","0.002","89.402","0.002","73.162","0.003","2026.44","0.12","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H60 Al4 Br12 N12 -","- C72 H60 Al4 Br12 N12 -","- C72 H60 Al4 Br12 N12 -","1","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54178","CuKα","","0.0565","0.047","","","0.122","0.1254","","","","","","1.061","","","","has coordinates,has disorder","252629","2020-10-21","18:00:00",""
"7240622","12.0435","0.0002","28.2798","0.0005","26.113","0.0004","90","","99.9744","0.0017","90","","8759.3","0.3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H70 Al4 Cl12 N14 -","- C84 H70 Al4 Cl12 N14 -","- C336 H280 Al16 Cl48 N56 -","4","1","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54178","CuKα","","0.0535","0.0367","","","0.0814","0.0853","","","","","","0.963","","","","has coordinates,has disorder","252629","2020-10-21","18:00:00",""
"7240623","9.8122","0.0006","20.4453","0.0011","15.9721","0.0008","90","","104.283","0.002","90","","3105.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N7 O15 Th -","- C27 H25 N7 O15 Th -","- C108 H100 N28 O60 Th4 -","4","1","","Autillo, Matthieu; Islam, Md Ashraful; Jung, Julie; Pilmé, Julien; Galland, Nicolas; Guerin, Laetitia; Moisy, Philippe; Berthon, Claude; Tamain, Christelle; Bolvin, Hélène","Crystallographic structure and crystal field parameters in the [An<sup>IV</sup>(DPA)<sub>3</sub>]<sup>2-</sup> series, An = Th, U, Np, Pu.","Physical chemistry chemical physics : PCCP","2020","22","25","14293","14308","10.1039/d0cp02137g","","","0.71073","MoKα","","0.0399","0.0251","","","0.0629","0.0755","","","","","","1.096","","","","has coordinates","253995","2020-10-21","18:00:00",""
"7240624","9.8225","0.0008","20.3779","0.0015","15.9018","0.0012","90","","104.149","0.003","90","","3086.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N7 O15 U -","- C27 H25 N7 O15 U -","- C108 H100 N28 O60 U4 -","4","1","","Autillo, Matthieu; Islam, Md Ashraful; Jung, Julie; Pilmé, Julien; Galland, Nicolas; Guerin, Laetitia; Moisy, Philippe; Berthon, Claude; Tamain, Christelle; Bolvin, Hélène","Crystallographic structure and crystal field parameters in the [An<sup>IV</sup>(DPA)<sub>3</sub>]<sup>2-</sup> series, An = Th, U, Np, Pu.","Physical chemistry chemical physics : PCCP","2020","22","25","14293","14308","10.1039/d0cp02137g","","","0.71073","MoKα","","0.0202","0.0168","","","0.0426","0.0446","","","","","","0.987","","","","has coordinates","253995","2020-10-21","18:00:00",""
"7240625","9.8352","0.0004","20.3151","0.0009","15.8431","0.0007","90","","103.807","0.001","90","","3074","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N7 Np O15 -","- C27 H25 N7 Np O15 -","- C108 H100 N28 Np4 O60 -","4","1","","Autillo, Matthieu; Islam, Md Ashraful; Jung, Julie; Pilmé, Julien; Galland, Nicolas; Guerin, Laetitia; Moisy, Philippe; Berthon, Claude; Tamain, Christelle; Bolvin, Hélène","Crystallographic structure and crystal field parameters in the [An<sup>IV</sup>(DPA)<sub>3</sub>]<sup>2-</sup> series, An = Th, U, Np, Pu.","Physical chemistry chemical physics : PCCP","2020","22","25","14293","14308","10.1039/d0cp02137g","","","0.71073","MoKα","","0.0277","0.02","","","0.0432","0.0501","","","","","","1.138","","","","has coordinates","253995","2020-10-21","18:00:00",""
"7240626","9.8486","0.0004","20.3166","0.0008","15.8306","0.0006","90","","103.965","0.001","90","","3073.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N7 O15 Pu -","- C27 H25 N7 O15 Pu -","- C108 H100 N28 O60 Pu4 -","4","1","","Autillo, Matthieu; Islam, Md Ashraful; Jung, Julie; Pilmé, Julien; Galland, Nicolas; Guerin, Laetitia; Moisy, Philippe; Berthon, Claude; Tamain, Christelle; Bolvin, Hélène","Crystallographic structure and crystal field parameters in the [An<sup>IV</sup>(DPA)<sub>3</sub>]<sup>2-</sup> series, An = Th, U, Np, Pu.","Physical chemistry chemical physics : PCCP","2020","22","25","14293","14308","10.1039/d0cp02137g","","","0.71073","MoKα","","0.0194","0.0184","","","0.0531","0.0544","","","","","","0.958","","","","has coordinates","253995","2020-10-21","18:00:00",""
"7240627","12.837","0.003","8.8654","0.0018","15.322","0.003","90","","105.87","0.03","90","","1677.3","0.7","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 N S2 -","- C19 H17 N S2 -","- C76 H68 N4 S8 -","4","0.5","","Landarani-Isfahani, Amir; Mohammadpoor-Baltork, Iraj; Mirkhani, Valiollah; Moghadam, Majid; Tangestaninejad, Shahram; Amiri Rudbari, Hadi","Palladium nanoparticles immobilized on a nano-silica triazine dendritic polymer: a recyclable and sustainable nanoreactor for C‒S cross-coupling","RSC Advances","2020","10","36","21198","21205","10.1039/D0RA00719F","","","0.71073","MoKα","","0.1915","0.1168","","","0.1411","0.1602","","","","","","1.215","","","","has coordinates","258118","2020-10-21","18:00:00",""
"7240628","11.7767","0.0007","13.3468","0.0011","19.3209","0.0011","81.5632","0.0016","79.7047","0.0011","72.2832","0.0009","2832.4","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H88 Dy K N4 O2 -","- C60 H88 Dy K N4 O2 -","- C120 H176 Dy2 K2 N8 O4 -","2","1","","Long, Jérôme; Tolpygin, Aleksei; Cherkasov, Anton; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander","Investigation of the Slow Relaxation of the Magnetization Dynamics in Homoleptic Ene-Diamido Organodysprosium(III) Complexes with K+/Arene Interactions","CrystEngComm","2020","","","","","10.1039/D0CE00611D","","","0.71073","MoKα","","0.0319","0.0266","","","0.0573","0.0593","","","","","","1.032","","","","has coordinates,has disorder","252660","2020-10-21","18:00:00",""
"7240629","10.9833","0.0001","27.4951","0.0003","20.5502","0.0002","90","","98.202","0.001","90","","6142.41","0.11","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H96 Dy K N4 O2 -","- C64 H96 Dy K N4 O2 -","- C256 H384 Dy4 K4 N16 O8 -","4","1","","Long, Jérôme; Tolpygin, Aleksei; Cherkasov, Anton; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander","Investigation of the Slow Relaxation of the Magnetization Dynamics in Homoleptic Ene-Diamido Organodysprosium(III) Complexes with K+/Arene Interactions","CrystEngComm","2020","","","","","10.1039/D0CE00611D","","","0.71073","MoKα","","0.0544","0.0313","","","0.062","0.0693","","","","","","1.017","","","","has coordinates,has disorder","252660","2020-10-21","18:00:00",""
"7240630","5.478","0.0015","5.2268","0.0015","12.296","0.003","90","","99.28","0.05","90","","347.46","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","2,5-Dinitrophenol","2,5-Dinitrophenol","","- C6 H4 N2 O5 -","- C6 H4 N2 O5 -","- C12 H8 N4 O10 -","2","1","","Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk","Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies","CrystEngComm","2020","","","","","10.1039/D0CE00606H","","","0.71073","MoKα","","0.1033","0.0771","","","0.1764","0.2074","","","","","","1.108","","","","has coordinates","252661","2020-10-21","18:00:00",""
"7240631","30.03","0.009","3.728","0.0009","21.08","0.008","90","","90","","90","","2359.9","1.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","2-aminopyridinium 2,5-dinitrophenolate","2-aminopyridinium 2,5-dinitrophenolate","","- C11 H10 N4 O5 -","- C11 H10 N4 O5 -","- C88 H80 N32 O40 -","8","2","","Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk","Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies","CrystEngComm","2020","","","","","10.1039/D0CE00606H","","","0.71073","MoKα","","0.1611","0.0811","","","0.1027","0.1283","","","","","","1.019","","","","has coordinates","252661","2020-10-21","18:00:00",""
"7240632","16.428","0.003","6.0198","0.0012","14.604","0.003","90","","100.02","0.02","90","","1422.2","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","3,5-dimethylpyridine 2,3,5,6-tetrachlorophenol","3,5-dimethylpyridine 2,3,5,6-tetrachlorophenol","","- C13 H11 Cl4 N O -","- C13 H11 Cl4 N O -","- C52 H44 Cl16 N4 O4 -","4","1","","Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk","Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies","CrystEngComm","2020","","","","","10.1039/D0CE00606H","","","0.71073","MoKα","","0.0174","0.0174","","","0.0483","0.0483","","","","","","1.064","","","","has coordinates","252661","2020-10-21","18:00:00",""
"7240633","7.673","0.0018","15.707","0.003","24.892","0.005","90","","90","","90","","3000","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2,3,6-trimethylpyridinium 2,3,5,6-tetrachlorophenolate","2,3,6-trimethylpyridinium 2,3,5,6-tetrachlorophenolate","","- C14 H13 Cl4 N O -","- C14 H13 Cl4 N O -","- C112 H104 Cl32 N8 O8 -","8","2","","Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk","Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies","CrystEngComm","2020","","","","","10.1039/D0CE00606H","","","0.71073","MoKα","","0.0484","0.0406","","","0.0796","0.0836","","","","","","1.059","","","","has coordinates","252661","2020-10-21","18:00:00",""
"7240634","13.249","0.005","10.91","0.004","11.697","0.004","90","","90","","90","","1690.8","1.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","2-aminopyridinium 4-nitrophenolate 4-nitrophenol","2-aminopyridinium 4-nitrophenolate 4-nitrophenol","","- C17 H16 N4 O6 -","- C17 H16 N4 O6 -","- C68 H64 N16 O24 -","4","1","","Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk","Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies","CrystEngComm","2020","","","","","10.1039/D0CE00606H","","","0.71073","MoKα","","0.1131","0.0671","","","0.1349","0.1643","","","","","","1.006","","","","has coordinates,has disorder","252661","2020-10-21","18:00:00",""
"7240635","10.1228","0.001","10.5481","0.0011","19.5768","0.0019","78.37","0.009","85.218","0.008","72.376","0.009","1950.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H58 Cl6 N6 -","- C34 H58 Cl6 N6 -","- C68 H116 Cl12 N12 -","2","1","","Rakhimova, Elena B.; Kirsanov, Victor Yu.; Tret'yakova, Elena V.; Khalilov, Leonard M.; Ibragimov, Askhat G.; Dzhemileva, Lilya U.; D'yakonov, Vladimir A.; Dzhemilev, Usein M.","Synthesis, structure, and antitumor activity of 2,9-disubstituted perhydro 2,3a,7b,9,10a,14b-hexaazadibenzotetracenes","RSC Advances","2020","10","36","21039","21048","10.1039/D0RA03209C","","x-ray","0.71073","MoKα","","0.26","0.0751","","","0.1721","0.2723","","","","","","0.872","","","","has coordinates","258119","2020-10-21","18:00:00",""
"7240636","39.208","0.003","4.9186","0.0003","5.1714","0.0004","90","","90.465","0.003","90","","997.26","0.12","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H28 Cl3 N3 -","- C18 H28 Cl3 N3 -","- C36 H56 Cl6 N6 -","2","0.5","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0398","0.0376","","","0.0907","0.0915","","","","","","1.093","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240637","9.713","0.0003","10.9592","0.0003","5.5558","0.0002","90","","90","","90","","591.4","0.03","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H10 N O2 P -","- C3 H10 N O2 P -","- C12 H40 N4 O8 P4 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0183","0.0181","","","0.052","0.0522","","","","","","1.15","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240638","6.4395","0.0002","17.5869","0.0005","22.0784","0.0006","89.2506","0.0016","89.6121","0.0012","83.8238","0.0012","2485.64","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H39 N2 O3 P -","- C26 H39 N2 O3 P -","- C104 H156 N8 O12 P4 -","4","2","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0858","0.0506","","","0.1032","0.1164","","","","","","1.026","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240639","10.2763","0.0004","9.17","0.0003","15.3112","0.0006","90","","103.229","0.001","90","","1404.54","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N O2 P -","- C15 H18 N O2 P -","- C60 H72 N4 O8 P4 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0338","0.031","","","0.0798","0.0817","","","","","","1.06","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240640","13.364","0.0006","8.5851","0.0004","20.1404","0.0011","90","","91.384","0.002","90","","2310.1","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H22 N O4 P -","- C7 H22 N O4 P -","- C56 H176 N8 O32 P8 -","8","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0329","0.0288","","","0.0746","0.0767","","","","","","1.075","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240641","9.7954","0.0005","9.9645","0.0005","11.1729","0.0006","73.496","0.002","82.075","0.002","87.525","0.002","1035.62","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 N O3 P -","- C23 H28 N O3 P -","- C46 H56 N2 O6 P2 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0415","0.0345","","","0.0857","0.0902","","","","","","1.007","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240642","10.3557","0.0004","12.4193","0.0005","13.5892","0.0004","90","","90","","90","","1747.71","0.11","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H14 N O4 P -","- C5 H14 N O4 P -","- C40 H112 N8 O32 P8 -","8","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0402","0.0338","","","0.0839","0.0879","","","","","","1.059","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240643","5.1523","0.0006","7.4078","0.0009","11.8502","0.0014","101.004","0.005","95.811","0.005","103.446","0.005","426.75","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H10 N O6 P -","- C5 H10 N O6 P -","- C10 H20 N2 O12 P2 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","1.54178","CuKα","","0.0345","0.0309","","","0.0798","0.0821","","","","","","1.055","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240644","9.4746","0.0004","11.3717","0.0005","23.1551","0.001","90","","91.99","0.001","90","","2493.28","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N O5 P2 -","- C27 H29 N O5 P2 -","- C108 H116 N4 O20 P8 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.042","0.0337","","","0.0787","0.084","","","","","","1.045","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240645","7.905","0.0004","7.9314","0.0004","11.8753","0.0005","90","","90","","90","","744.55","0.06","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H10 N O4 P -","- C4 H10 N O4 P -","- C16 H40 N4 O16 P4 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.02","0.0197","","","0.0552","0.0554","","","","","","1.09","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240646","5.5885","0.0003","19.1273","0.0012","8.3332","0.0005","90","","103.684","0.003","90","","865.48","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H12.5 N O4.25 P -","- C6 H12.5 N O4.25 P -","- C24 H50 N4 O17 P4 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","1.54178","CuKα","","0.0467","0.0431","","","0.1067","0.1089","","","","","","1.121","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240647","5.6105","0.0002","21.6543","0.0009","8.996","0.0004","90","","94.695","0.002","90","","1089.27","0.08","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H24 N3 O8 P -","- C21 H20 N3 O6 P -","- C42 H40 N6 O12 P2 -","2","0.5","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","1.54178","CuKα","","0.0451","0.0428","","","0.105","0.1064","","","","","","1.079","","","","has coordinates,has disorder","258120","2020-10-21","18:00:00",""
"7240648","7.0189","0.0003","5.7569","0.0002","15.9662","0.0008","90","","98.694","0.002","90","","637.73","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H17 N O5 P2 -","- C9 H17 N O5 P2 -","- C18 H34 N2 O10 P4 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0375","0.0308","","","0.0734","0.0761","","","","","","1.043","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240649","5.661","0.0002","8.5501","0.0003","12.0035","0.0004","78.854","0.001","79.171","0.001","78.139","0.001","551.19","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 N O4 P -","- C10 H14 N O4 P -","- C20 H28 N2 O8 P2 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0336","0.0304","","","0.0739","0.0759","","","","","","1.045","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240650","8.6777","0.0003","11.9197","0.0003","10.7504","0.0003","90","","104.459","0.001","90","","1076.75","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H17 N O4 P2 -","- C6 H17 N O4 P2 -","- C24 H68 N4 O16 P8 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0243","0.0238","","","0.0666","0.067","","","","","","1.052","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240651","10.4097","0.0004","6.3878","0.0003","27.1688","0.0012","90","","90","","90","","1806.59","0.14","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H12 N O2 P -","- C8 H12 N O2 P -","- C64 H96 N8 O16 P8 -","8","2","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0433","0.0415","","","0.1078","0.109","","","","","","1.048","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240652","8.5485","0.0002","8.7247","0.0002","10.3439","0.0002","71.418","0.001","68.689","0.001","81.28","0.001","680.7","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H26 N O2 P -","- C13 H26 N O2 P -","- C26 H52 N2 O4 P2 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0353","0.0312","","","0.0821","0.0846","","","","","","1.048","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240653","9.9559","0.0005","10.8993","0.0005","11.2372","0.0005","110.848","0.001","92.553","0.001","110","0.001","1051.45","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 N2 O4 P -","- C24 H23 N2 O4 P -","- C48 H46 N4 O8 P2 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","1.54178","CuKα","","0.0373","0.0333","","","0.081","0.0834","","","","","","1.036","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240654","7.2002","0.0014","17.795","0.004","8.1862","0.0016","90","","109.91","0.03","90","","986.2","0.4","153.15","","153.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 N14 Na2 O8 -","- C6 H20 N14 Na2 O8 -","- C12 H40 N28 Na4 O16 -","2","0.5","","Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai","New nitrogen-rich heterocycle compound to build 3D energetic metal complexes","CrystEngComm","2020","","","","","10.1039/D0CE00791A","","","0.71073","MoKα","","0.0649","0.0553","","","0.147","0.1764","","","","","","1.193","","","","has coordinates,has disorder","252964","2020-10-21","18:00:00",""
"7240655","5.1663","0.001","10.327","0.002","7.6607","0.0015","90","","105.39","0.03","90","","394.06","0.14","153","2","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N7 O2 -","- C5 H7 N7 O2 -","- C10 H14 N14 O4 -","2","0.5","","Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai","New nitrogen-rich heterocycle compound to build 3D energetic metal complexes","CrystEngComm","2020","","","","","10.1039/D0CE00791A","","","0.71073","MoKα","","0.045","0.0443","","","0.0939","0.0943","","","","","","1.224","","","","has coordinates,has disorder","252964","2020-10-21","18:00:00",""
"7240656","3.717","0.002","12.459","0.006","7.693","0.004","90","","95.512","0.007","90","","354.6","0.3","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H8 K2 N14 O2 -","- C6 H8 K2 N14 O2 -","- C6 H8 K2 N14 O2 -","1","0.5","","Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai","New nitrogen-rich heterocycle compound to build 3D energetic metal complexes","CrystEngComm","2020","","","","","10.1039/D0CE00791A","","","0.71073","MoKα","","0.0419","0.0327","","","0.0672","0.07","","","","","","1","","","","has coordinates","252964","2020-10-21","18:00:00",""
"7240657","3.9924","0.0008","12.192","0.002","7.7023","0.0015","90","","95.44","0.03","90","","373.22","0.12","163","2","163.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H4 K N7 O -","- C4 H4 K N7 O -","- C8 H8 K2 N14 O2 -","2","1","","Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai","New nitrogen-rich heterocycle compound to build 3D energetic metal complexes","CrystEngComm","2020","","","","","10.1039/D0CE00791A","","","0.71073","MoKα","","0.0281","0.0279","","","0.0736","0.0738","","","","","","1.042","","","","has coordinates","252964","2020-10-21","18:00:00",""
"7240658","8.0784","0.0016","7.1115","0.0014","13.838","0.003","90","","98.05","0.03","90","","787.2","0.3","163","2","163.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 N7 Na O2 -","- C4 H6 N7 Na O2 -","- C16 H24 N28 Na4 O8 -","4","1","","Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai","New nitrogen-rich heterocycle compound to build 3D energetic metal complexes","CrystEngComm","2020","","","","","10.1039/D0CE00791A","","","0.71073","MoKα","","0.0458","0.0433","","","0.1081","0.1105","","","","","","1.106","","","","has coordinates","252964","2020-10-21","18:00:00",""
"7240659","7.8705","0.0005","10.1489","0.0007","23.9418","0.0013","90","","93.881","0.002","90","","1908","0.2","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","trans-Spirodiol (CHCl3)","3-trans","","- C20 H34 O6 -","- C20 H34 O6 -","- C80 H136 O24 -","4","1","","Bonjour, Olivier; Liblikas, Ilme; Pehk, Tõnis; Khai-Nghi, Truong; Rissanen, Kari; Vares, Lauri; Jannasch, Patric","Rigid biobased polycarbonates with good processability based on a spirocyclic diol derived from citric acid","Green Chemistry","2020","22","12","3940","3951","10.1039/D0GC00849D","","","0.71073","MoKα","","0.1292","0.0997","","","0.2398","0.2549","","","","","","1.096","","","","has coordinates,has disorder","257623","2020-10-21","18:00:00",""
"7240660","7.5903","0.0004","9.0809","0.0006","9.7444","0.0005","99.238","0.005","107.382","0.005","101.179","0.005","611.46","0.07","298","","298","","","","","","","","","5","P -1","-P 1","2","","CHZ_PA","","- C13 H9 Cl N2 O4 -","- C13 H9 Cl N2 O4 -","- C26 H18 Cl2 N4 O8 -","2","1","","Roy, Parag; Ghosh, Animesh","Mechanochemical cocrystallization to improve the physicochemical properties of chlorzoxazone","CrystEngComm","2020","","","","","10.1039/D0CE00635A","","x-ray","0.71073","MoKα","","0.0417","0.0359","","","0.099","0.1043","","","","","","1.048","","","","has coordinates","253021","2020-10-21","18:00:00",""
"7240661","8.229","0.006","14.862","0.01","13.319","0.01","90","","92.921","0.014","90","","1627","2","100","3","100","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H4 K2 O18 S3 U2 -","- H4 K2 O18 S3 U2 -","- H16 K8 O72 S12 U8 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Gurzhiy, Vladislav V.; Krivovichev, Sergey V.","Dimensional Evolution in Hydrated K±bearing Uranyl Sulfates: From 2D-sheet to 3D-framework","CrystEngComm","2020","","","","","10.1039/D0CE00673D","","","0.71073","MoKα","","0.0354","0.0238","","","0.0431","0.0458","","","","","","0.985","","","","has coordinates","253022","2020-10-21","18:00:00",""
"7240662","11.1337","0.0015","10.0463","0.0013","14.697","0.002","90","","101.28","0.003","90","","1612.1","0.4","296","3","296","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H7 K O19 S3 U2 -","- H7 K O19 S3 U2 -","- H28 K4 O76 S12 U8 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Gurzhiy, Vladislav V.; Krivovichev, Sergey V.","Dimensional Evolution in Hydrated K±bearing Uranyl Sulfates: From 2D-sheet to 3D-framework","CrystEngComm","2020","","","","","10.1039/D0CE00673D","","","0.71073","MoKα","","0.0139","0.0126","","","0.0298","0.0302","","","","","","1.118","","","","has coordinates","253022","2020-10-21","18:00:00",""
"7240663","9.8901","0.0003","16.1105","0.0005","17.2862","0.0005","90","","98.038","0.002","90","","2727.23","0.14","296","3","296","3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K3.5 O29 S5 U3 -","- K3.5 O29 S5 U3 -","- K14 O116 S20 U12 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Gurzhiy, Vladislav V.; Krivovichev, Sergey V.","Dimensional Evolution in Hydrated K±bearing Uranyl Sulfates: From 2D-sheet to 3D-framework","CrystEngComm","2020","","","","","10.1039/D0CE00673D","","","0.71073","MoKα","","0.0626","0.0358","","","0.0724","0.081","","","","","","1.036","","","","has coordinates,has disorder","253022","2020-10-21","18:00:00",""
"7240664","17.3051","0.0002","12.5613","0.0001","17.324","0.0002","90","","96.577","0.001","90","","3741.01","0.07","293","3","293","3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K2 O21 S3 U2 -","- K2 O21 S3 U2 -","- K16 O168 S24 U16 -","8","2","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Gurzhiy, Vladislav V.; Krivovichev, Sergey V.","Dimensional Evolution in Hydrated K±bearing Uranyl Sulfates: From 2D-sheet to 3D-framework","CrystEngComm","2020","","","","","10.1039/D0CE00673D","","x-ray","0.71073","MoKα","","0.0258","0.0212","","","0.0523","0.0543","","","","","","1.034","","","","has coordinates,has disorder","253022","2020-10-21","18:00:00",""
"7240665","11.465","0.007","12.605","0.007","12.944","0.008","90","","90","","90","","1870.6","1.9","296","3","296","3","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- K2 O21 S3 U2 -","- K2 O21 S3 U2 -","- K8 O84 S12 U8 -","4","0.5","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Gurzhiy, Vladislav V.; Krivovichev, Sergey V.","Dimensional Evolution in Hydrated K±bearing Uranyl Sulfates: From 2D-sheet to 3D-framework","CrystEngComm","2020","","","","","10.1039/D0CE00673D","","","0.71073","MoKα","","0.0452","0.0291","","","0.056","0.0619","","","","","","1.064","","","","has coordinates,has disorder","253022","2020-10-21","18:00:00",""
"7240666","12.774","0.004","11.339","0.003","20.734","0.006","90","","92.088","0.006","90","","3001.2","1.5","296","3","296","3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K3 O34 S5 U3 -","- K3 O34 S5 U3 -","- K12 O136 S20 U12 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Gurzhiy, Vladislav V.; Krivovichev, Sergey V.","Dimensional Evolution in Hydrated K±bearing Uranyl Sulfates: From 2D-sheet to 3D-framework","CrystEngComm","2020","","","","","10.1039/D0CE00673D","","","0.71073","MoKα","","0.0328","0.0252","","","0.053","0.0553","","","","","","1.045","","","","has coordinates","253022","2020-10-21","18:00:00",""
"7240667","14.6085","0.0005","12.275","0.0004","10.4746","0.0004","90","","90","","90","","1878.3","0.11","150","","150","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H28 N6 -","- C19 H28 N6 -","- C76 H112 N24 -","4","1","","Kara Ali, Zeinab; Iankovitch, Anna; Jokar, Mahboubeh; Maris, Thierry; Lebel, Olivier; Pellerin, Christian","Glass engineering of aminotriazine‐based materials with sub‐ambient Tg and high kinetic stability","CrystEngComm","2020","","","","","10.1039/D0CE00500B","","x-ray","1.34139","GaKα","","0.0915","0.0795","","","0.1938","0.2022","","","","","","1.176","","","","has coordinates","253023","2020-10-21","18:00:00",""
"7240668","14.7113","0.0003","10.5414","0.0002","24.3585","0.0006","90","","90","","90","","3777.46","0.14","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H31 N5 O -","- C18 H31 N5 O -","- C144 H248 N40 O8 -","8","1","","Kara Ali, Zeinab; Iankovitch, Anna; Jokar, Mahboubeh; Maris, Thierry; Lebel, Olivier; Pellerin, Christian","Glass engineering of aminotriazine‐based materials with sub‐ambient Tg and high kinetic stability","CrystEngComm","2020","","","","","10.1039/D0CE00500B","","x-ray","1.34139","GaKα","","0.0484","0.047","","","0.1181","0.1199","","","","","","1.095","","","","has coordinates","253023","2020-10-21","18:00:00",""
"7240669","5.7373","0.0003","30.1441","0.0016","6.1322","0.0003","90","","109.223","0.003","90","","1001.41","0.09","150","","150","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C19 H34 N6 -","- C19 H34 N6 -","- C38 H68 N12 -","2","0.5","","Kara Ali, Zeinab; Iankovitch, Anna; Jokar, Mahboubeh; Maris, Thierry; Lebel, Olivier; Pellerin, Christian","Glass engineering of aminotriazine‐based materials with sub‐ambient Tg and high kinetic stability","CrystEngComm","2020","","","","","10.1039/D0CE00500B","","x-ray","1.34139","GaKα","","0.1088","0.0768","","","0.2032","0.2351","","","","","","1.062","","","","has coordinates","253023","2020-10-21","18:00:00",""
"7240670","15.07","0.0003","10.3551","0.0002","24.4042","0.0005","90","","90","","90","","3808.31","0.13","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H33 N5 -","- C19 H33 N5 -","- C152 H264 N40 -","8","1","","Kara Ali, Zeinab; Iankovitch, Anna; Jokar, Mahboubeh; Maris, Thierry; Lebel, Olivier; Pellerin, Christian","Glass engineering of aminotriazine‐based materials with sub‐ambient Tg and high kinetic stability","CrystEngComm","2020","","","","","10.1039/D0CE00500B","","x-ray","1.34139","GaKα","","0.0505","0.0451","","","0.1125","0.1173","","","","","","1.065","","","","has coordinates","253023","2020-10-21","18:00:00",""
"7240671","9.15686","0.00013","13.9511","0.0002","14.2096","0.0002","90","","101.125","0.0014","90","","1781.14","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Wang, Ze-Shu; Chen, Yang-Bo; Wang, Kun; Xu, Zhou; Ye, Long-Wu","One-pot synthesis of 2-hydroxymethylindoles via photoredox-catalyzed ketyl‒ynamide coupling/1,3-allylic alcohol transposition","Green Chemistry","2020","22","14","4483","4488","10.1039/D0GC01522A","","","1.54184","CuKα","","0.0377","0.0335","","","0.0822","0.0886","","","","","","1.12","","","","has coordinates","257607","2020-10-21","18:00:00",""
"7240672","25.4166","0.0016","16.5833","0.001","14.6422","0.0008","90","","105.981","0.002","90","","5933","0.6","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C69 H56 Cu F6 N2 O3 P3 -","- C69 H56 Cu F6 N2 O3 P3 -","- C276 H224 Cu4 F24 N8 O12 P12 -","4","1","","Forero-Cortés, Paola A.; Marx, Maximilian; Moustakas, Nikolaos G.; Brunner, Fabian; Housecroft, Catherine E.; Constable, Edwin C.; Junge, Henrik; Beller, Matthias; Strunk, Jennifer","Transferring photocatalytic CO2 reduction mediated by Cu(N^N)(P^P)+ complexes from organic solvents into ionic liquid media","Green Chemistry","2020","22","14","4541","4549","10.1039/D0GC01627F","","","0.71073","MoKα","","0.0368","0.0343","","","0.0851","0.0867","","","","","","1.038","","","","has coordinates","257608","2020-10-21","18:00:00",""
"7240673","18.8673","0.0016","10.1312","0.0009","11.7065","0.0011","90","","105.297","0.003","90","","2158.4","0.3","298","2","298.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 O7 -","- C25 H24 O7 -","- C100 H96 O28 -","4","1","","Chen, Qinfang; Pan, Yihao; Zhao, Dongxin; Yang, Weiran; Zheng, Jing","Construct indeno[1,2-b]oxepine or cis-cyclopropylacrylate by sulfur ylides","RSC Advances","2020","10","37","21895","21906","10.1039/D0RA03919E","","","0.71073","MoKα","","0.1674","0.0644","","","0.1247","0.1586","","","","","","0.881","","","","has coordinates","257982","2020-10-21","18:00:00",""
"7240674","26.1711","0.0017","10.0725","0.0007","11.4469","0.0008","90","","90.896","0.005","90","","3017.1","0.4","170","2","169.99","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H13 N3 O2 -","- C17 H13 N3 O2 -","- C136 H104 N24 O16 -","8","1","","Chen, Qinfang; Pan, Yihao; Zhao, Dongxin; Yang, Weiran; Zheng, Jing","Construct indeno[1,2-b]oxepine or cis-cyclopropylacrylate by sulfur ylides","RSC Advances","2020","10","37","21895","21906","10.1039/D0RA03919E","","","1.34139","GaKα","","0.1108","0.0718","","","0.1836","0.2159","","","","","","1.051","","","","has coordinates","257982","2020-10-21","18:00:00",""
"7240675","6.291","0.0005","16.2664","0.0011","23.223","0.002","90","","100","0.18","90","","2340.4","1.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N3 O4 -","- C28 H24 N3 O4 -","- C112 H96 N12 O16 -","4","1","","Youssef, M. Adel; Panda, Siva S.; El-Shiekh, Riham A.; Shalaby, ElSayed M.; Aboshouk, Dalia R.; Fayad, Walid; Fawzy, Nehmedo G.; Girgis, Adel S.","Synthesis and molecular modeling studies of cholinesterase inhibitor dispiro[indoline-3,2′-pyrrolidine-3′,3′′-pyrrolidines]","RSC Advances","2020","10","37","21830","21838","10.1039/D0RA03064C","","x-ray","0.71073","MoKα","","0.4147","0.1146","","0.071","0.0416","0.0416","","","","","","1.0575","","","","has coordinates","257981","2020-10-21","18:00:00",""
"7240676","12.4131","0.0009","7.267","0.0007","13.508","0.001","90","","113.147","0.002","90","","1120.41","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 O3 S -","- C10 H12 N4 O3 S -","- C40 H48 N16 O12 S4 -","4","1","","Shah, Syed Raza; Ali, Muhammad; Anwar, Muhammad U.; Al-Harrasi, Ahmed","A highly green approach towards aromatic nitro group substitutions: catalyst free reactions of nitroimidazoles with carbon nucleophiles in water","RSC Advances","2020","10","36","21656","21661","10.1039/D0RA03640D","","","0.71073","MoKα","","0.0609","0.0446","","","0.1165","0.1284","","","","","","1.048","","","","has coordinates","258121","2020-10-21","18:00:00",""
"7240677","12.1408","0.0006","11.8095","0.0006","14.8569","0.0007","90","","108.558","0.002","90","","2019.37","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N4 O6 -","- C20 H24 N4 O6 -","- C80 H96 N16 O24 -","4","1","","Shah, Syed Raza; Ali, Muhammad; Anwar, Muhammad U.; Al-Harrasi, Ahmed","A highly green approach towards aromatic nitro group substitutions: catalyst free reactions of nitroimidazoles with carbon nucleophiles in water","RSC Advances","2020","10","36","21656","21661","10.1039/D0RA03640D","","","0.71073","MoKα","","0.067","0.0506","","","0.1397","0.163","","","","","","1.016","","","","has coordinates","258121","2020-10-21","18:00:00",""
"7240678","5.2044","0.0002","14.896","0.0007","25.4784","0.001","90","","90","","90","","1975.21","0.14","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","DL-Phe-NTA","","- C10 H9 N O2 S -","- C10 H9 N O2 S -","- C80 H72 N8 O16 S8 -","8","2","","Bai, Tianwen; Shen, Bo; Cai, Da; Luo, Yifan; Zhou, Peng; Xia, Jingya; Zheng, Botuo; Zhang, Ke; Xie, Rongze; Ni, Xufeng; Xu, Maosheng; Ling, Jun; Sun, Jihong","Understanding ring-closing and racemization to prepare α-amino acid NCA and NTA monomers: a DFT study.","Physical chemistry chemical physics : PCCP","2020","22","26","14868","14874","10.1039/d0cp01174f","","","0.71073","MoKα","","0.0375","0.0315","","","0.0721","0.075","","","","","","1.03","","","","has coordinates","255106","2020-10-21","18:00:00",""
"7240679","23.099","0.007","10.57","0.003","9.121","0.002","90","","90","","90","","2227","1","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C29 H21 Cl N2 O -","- C29 H21 Cl N2 O -","- C116 H84 Cl4 N8 O4 -","4","1","","Zhang, Yuanfei; Huang, Ting; Li, Xinghua; Zhang, Min; Song, Ying; Huang, Kelin; Su, Weiping","Rh(iii)-catalyzed spiroannulation of 3-arylquinoxalin-2(1H)-ones with alkynes: practical access to spiroquinoxalinones","RSC Advances","2020","10","37","22216","22221","10.1039/D0RA03348K","","","0.71073","MoKα","","0.1216","0.0494","","","0.1091","0.1467","","","","","","1.028","","","","has coordinates","257979","2020-10-21","18:00:00",""
"7240680","14.8885","0.0007","15.0825","0.0006","15.1336","0.0006","104.859","0.003","104.285","0.003","117.418","0.003","2639","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H54 Fe2 N6 O12 -","- C54 H53 Fe2 N6 O12 -","- C108 H106 Fe4 N12 O24 -","2","1","","Taniya, Seikh; Khanra, Somnath; Ta, Sabyasachi; Chatterjee, Sudeshna; Salam, Noor; Das, Debasis","Exploring a new dinuclear Fe(iii) complex for the fixation of atmospheric CO2 and optical recognition of nano-molar levels of Zn2+ ions","RSC Advances","2020","10","37","22284","22290","10.1039/D0RA01698E","","","0.71073","MoKα","","0.1708","0.0773","","","0.1602","0.2255","","","","","","1.027","","","","has coordinates","257980","2020-10-21","18:00:00",""
"7240681","27.761","0.003","15.927","0.002","13.7189","0.0017","90","","116.167","0.002","90","","5444.1","1.1","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 Ca0.5 O10 Zn -","- C19 H12 Ca0.5 O10 Zn -","- C152 H96 Ca4 O80 Zn8 -","8","1","","Ji, Wen-Juan; Liu, Gui-Fang; Wang, Binqiang; Lu, Wenbo; Zhai, Quan-Guo","Design of a heterometallic Zn/Ca-MOF decorated by alkoxy on the pore surface exhibiting high fluorescence sensing performance for Fe3+ and Cr2O72−","CrystEngComm","2020","","","","","10.1039/D0CE00457J","","","0.71073","MoKα","","0.0373","0.0342","","","0.1263","0.1292","","","","","","1.205","","","","has coordinates","253118","2020-10-21","18:00:00",""
"7240682","10.3143","0.0011","13.9869","0.0012","20.0442","0.0009","90","","99.155","0.018","90","","2854.8","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 Cl N2 O4 -","- C33 H33 Cl N2 O4 -","- C132 H132 Cl4 N8 O16 -","4","1","","Lei, Jie; Li, Yong; Xu, Jia; Tang, Dian-Yong; Shao, Jing-Wei; Li, Hong-yu; Chen, Zhong-Zhu; Xu, Zhi-Gang","An acid-catalyzed 1,4-addition isocyanide-based multicomponent reaction in neat water","Green Chemistry","2020","22","12","3716","3720","10.1039/D0GC00652A","","","0.71073","MoKα","","0.1463","0.0607","","","0.1123","0.1398","","","","","","1.1102","","","","has coordinates","257625","2020-10-21","18:00:00",""
"7240683","5.5616","0.0003","17.9003","0.0013","15.541","0.0009","90","","94.111","0.005","90","","1543.19","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N4 O3 -","- C15 H20 N4 O3 -","- C60 H80 N16 O12 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.71073","MoKα","K-L~3~","0.1515","0.0684","","","0.1188","0.1447","","","","","","1.004","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240684","8.2749","0.0001","9.8955","0.0001","21.8743","0.0003","82.107","0.001","86.694","0.001","85.775","0.001","1767.32","0.04","30","2","30","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N4 O -","- C19 H22 N4 O -","- C76 H88 N16 O4 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.0866","0.0817","","","0.226","0.2295","","","","","","1.162","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7240685","9.3748","0.0002","9.6012","0.0002","12.5616","0.0003","90","","104.848","0.002","90","","1092.91","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 N4 O -","- C24 H30 N4 O -","- C48 H60 N8 O2 -","2","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.0627","0.0519","","","0.1233","0.1321","","","","","","1.014","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240686","8.6","0.003","9.896","0.004","11.88","0.003","90","","106.38","0.02","90","","970","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H26 N4 O -","- C21 H26 N4 O -","- C42 H52 N8 O2 -","2","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.0508","0.0491","","","0.1291","0.1311","","","","","","1.094","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240687","9.8292","0.0002","12.6358","0.0004","10.1195","0.0002","90","","94.835","0.002","90","","1252.37","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N4 O -","- C13 H16 N4 O -","- C52 H64 N16 O4 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.0502","0.0451","","","0.1169","0.1207","","","","","","1.033","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240688","8.9903","0.0005","10.1684","0.0006","10.7191","0.0007","104.553","0.006","110.229","0.006","105.243","0.006","821.31","0.11","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H22 N4 O3 -","- C16 H22 N4 O3 -","- C32 H44 N8 O6 -","2","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.9028","synchrotron","","0.089","0.0767","","","0.1904","0.2073","","","","","","0.956","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7240689","9.6282","0.0001","13.8844","0.0002","11.73","0.0001","90","","102.913","0.001","90","","1528.43","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H22 N4 O3 -","- C12 H22 N4 O3 -","- C48 H88 N16 O12 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.9028","synchrotron","","0.0881","0.0747","","","0.1979","0.2109","","","","","","1.037","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240690","7.98857","0.00009","11.71525","0.00011","13.9964","0.00013","90","","90","","90","","1309.9","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 N4 O -","- C13 H18 N4 O -","- C52 H72 N16 O4 -","4","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.0521","0.0474","","","0.1203","0.1235","","","","","","1.071","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240691","9.1851","0.0003","9.3856","0.0002","9.6867","0.0003","68.2","0.002","89.701","0.002","86.138","0.002","773.41","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C13 H24 N4 O3 -","- C13 H24 N4 O3 -","- C26 H48 N8 O6 -","2","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.0627","0.0609","","","0.1724","0.175","","","","","","1.077","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240692","9.8466","0.0004","9.8466","0.0004","29.7164","0.0012","90","","90","","120","","2495.17","0.18","100","2","100","2","","","","","","","","4","P 65","P 65","170","","","","- C19 H20 N4 O -","- C19 H20 N4 O -","- C114 H120 N24 O6 -","6","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.1011","0.065","","","0.1651","0.1916","","","","","","0.948","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7240693","9.7621","0.0004","13.2127","0.0004","21.9038","0.0007","90","","90","","90","","2825.23","0.17","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H21 N3 O3 -","- C11 H21 N3 O3 -","- C88 H168 N24 O24 -","8","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.1517","0.139","","","0.3735","0.3834","","","","","","1.477","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7240694","10.0504","0.0006","24.8719","0.0007","10.3198","0.0006","90","","114.323","0.007","90","","2350.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H39 N5 O2 -","- C23 H39 N5 O2 -","- C92 H156 N20 O8 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.71073","MoKα","K-L~3~","0.1263","0.1049","","","0.2918","0.3114","","","","","","1.255","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240695","12.7286","0.0003","13.6712","0.0003","15.1669","0.0004","90","","113.349","0.003","90","","2423.14","0.11","100","2","100","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C12 H17 N3 O -","- C12 H17 N3 O -","- C96 H136 N24 O8 -","8","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.0369","0.0357","","","0.097","0.098","","","","","","1.051","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7240696","5.4173","0.0001","13.9827","0.0002","12.3897","0.0002","90","","91.254","0.001","90","","938.28","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N4 O3 -","- C20 H24 N4 O3 -","- C40 H48 N8 O6 -","2","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.0292","0.0278","","","0.0676","0.0682","","","","","","1.039","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240697","9.7687","0.0005","21.9014","0.0012","13.182","0.0007","90","","89.865","0.005","90","","2820.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H21 N3 O3 -","- C11 H20.5 N3 O3 -","- C88 H164 N24 O24 -","8","4","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.2136","0.0743","","","0.1561","0.1955","","","","","","0.676","","","","has coordinates","295543","2024-10-18","15:17:09",""
"7240698","12.4402","0.0004","12.933","0.0004","19.1393","0.0006","90","","99.889","0.003","90","","3033.55","0.17","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C14 H20 N4 O3 -","- C14 H20 N4 O3 -","- C112 H160 N32 O24 -","8","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.1479","0.1348","","","0.2896","0.2952","","","","","","1.126","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7240699","15.4703","0.001","5.1282","0.0002","19.1266","0.0013","90","","112.939","0.005","90","","1397.41","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N4 O -","- C15 H18 N4 O -","- C60 H72 N16 O4 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.1551","0.0633","","","0.1323","0.1584","","","","","","0.861","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240700","9.8805","0.0001","12.7554","0.0002","17.4319","0.0002","90","","90","","90","","2196.94","0.05","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C11 H15 N3 O -","- C11 H15 N3 O -","- C88 H120 N24 O8 -","8","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.043","0.0415","","","0.1083","0.1094","","","","","","1.069","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240701","12.0576","0.0002","11.3774","0.0002","11.1889","0.0002","90","","90","","90","","1534.94","0.05","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H21 N4 O1.5 -","- C15 H21 N4 O1.5 -","- C60 H84 N16 O6 -","4","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.71073","MoKα","K-L~3~","0.0433","0.0386","","","0.0971","0.0998","","","","","","1.066","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7240702","6.8313","0.0001","9.9682","0.0002","34.4021","0.0007","90","","90","","90","","2342.64","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N5 O2 -","- C25 H31 N5 O2 -","- C100 H124 N20 O8 -","4","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.71073","MoKα","K-L~3~","0.0611","0.0482","","","0.1135","0.1189","","","","","","1.049","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240703","12.447","0.0004","12.0122","0.0005","24.2818","0.0006","90","","102.043","0.002","90","","3550.6","0.2","35","2","35","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H45 N8 O2 -","- C36 H44 N8 O2 -","- C144 H176 N32 O8 -","4","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.1077","0.0721","","","0.1755","0.1969","","","","","","0.918","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7240704","3.95554","0.00005","3.95554","","8.24623","0.00018","90","","90","","90","","129.023","0.003","293","","293","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- As Co F Sm -","- As Co F Sm -","- As2 Co2 F2 Sm2 -","2","0.125","","Lin, Dan; Luo, Qinxin; Zheng, Hui; Tang, Lulu; Zhan, Wenqi; Tang, Kaibin","A new oxygen-free cobalt-based compound SmCoAsF with multiple magnetic transitions","CrystEngComm","2020","","","","","10.1039/D0CE00448K","powder diffraction","","1.54182","CuKα","","0.0443","0.0253","","","0.0186","0.0298","","","1.26","","","","","","","has coordinates","253139","2020-10-21","18:00:00",""
"7240705","11.369","0.006","13.041","0.007","18.032","0.01","90","","91.795","0.006","90","","2672","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 Cd N4 O4 -","- C33 H30 Cd N4 O4 -","- C132 H120 Cd4 N16 O16 -","4","1","","Shi, Yong-Sheng; Xiao, Qing-Qing; Fu, Lianshe; Cui, Guang Hua","Three water-stable luminescent two-dimensional CdII-based coordination polymers as sensors for highly sensitive and selective detection of Cr2O72- and CrO42‒ anions","CrystEngComm","2020","","","","","10.1039/D0CE00594K","","","0.71073","MoKα","","0.0299","0.0247","","","0.0726","0.0756","","","","","","1.061","","","","has coordinates","253140","2020-10-21","18:00:00",""
"7240706","10.578","0.004","10.841","0.005","11.676","0.005","100.906","0.006","100.575","0.006","91.284","0.006","1290.2","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 Cd N5 O6 -","- C29 H27 Cd N5 O6 -","- C58 H54 Cd2 N10 O12 -","2","1","","Shi, Yong-Sheng; Xiao, Qing-Qing; Fu, Lianshe; Cui, Guang Hua","Three water-stable luminescent two-dimensional CdII-based coordination polymers as sensors for highly sensitive and selective detection of Cr2O72- and CrO42‒ anions","CrystEngComm","2020","","","","","10.1039/D0CE00594K","","","0.71073","MoKα","","0.1075","0.0751","","","0.1795","0.2042","","","","","","1.012","","","","has coordinates","253140","2020-10-21","18:00:00",""
"7240707","10.349","0.002","11.096","0.002","13.621","0.003","111.687","0.003","92.716","0.003","95.37","0.003","1441.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32.7 Cd N4 O5.35 -","- C30 H30 Cd N4 O4 -","- C60 H60 Cd2 N8 O8 -","2","1","","Shi, Yong-Sheng; Xiao, Qing-Qing; Fu, Lianshe; Cui, Guang Hua","Three water-stable luminescent two-dimensional CdII-based coordination polymers as sensors for highly sensitive and selective detection of Cr2O72- and CrO42‒ anions","CrystEngComm","2020","","","","","10.1039/D0CE00594K","","","0.71073","MoKα","","0.0511","0.0361","","","0.0922","0.1081","","","","","","0.932","","","","has coordinates","253140","2020-10-21","18:00:00",""
"7240708","9.783","0.0009","12.3051","0.0011","12.3219","0.0012","62.429","0.001","66.999","0.002","79.648","0.003","1210.3","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 I O3.5 S -","- C27 H26 I O3.5 S -","- C54 H52 I2 O7 S2 -","2","1","","Zhang, Tian-Shu; Hao, Wen-Juan; Wang, Rong; Wang, Shi-Chao; Tu, Shu-Jiang; Jiang, Bo","Electrocatalytic three-component annulation-halosulfonylation of 1,6-enynes toward 1-indanones using sodium halides as both halogen sources and electrolytes","Green Chemistry","2020","22","13","4259","4269","10.1039/D0GC00771D","","","0.71073","MoKα","","0.1054","0.09","","","0.2178","0.2273","","","","","","1.058","","","","has coordinates","257605","2020-10-21","18:00:00",""
"7240709","11.2133","0.0005","9.1206","0.0004","12.1021","0.0005","90","","100.356","0.002","90","","1217.54","0.09","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","fluorinated chalcone","(E)-3-(2,6-difluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one","","- C15 H9 F3 O -","- C15 H9 F3 O -","- C60 H36 F12 O4 -","4","1","","Borges, I. D.; Danielli, J. A. V.; Silva, V. E. G.; Sallum, L. O.; Queiroz, J. E.; Dias, L. D.; Iermak, I.; Aquino, G. L. B.; Camargo, A. J.; Valverde, C.; Osório, F. A. P.; Baseia, B.; Napolitano, H. B.","Synthesis and structural studies on (E)-3-(2,6-difluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one: a promising nonlinear optical material","RSC Advances","2020","10","38","22542","22555","10.1039/D0RA03634J","","","0.71073","MoKα","","0.0554","0.046","","","0.1251","0.1356","","","","","","1.122","","","","has coordinates","258136","2020-10-21","18:00:00",""
"7240710","13.6212","0.0015","16.7386","0.0019","17.399","0.002","95.705","0.003","103.882","0.003","112.109","0.003","3487.7","0.7","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu2 H80 Na12 O78 Te2 W8 -","- Cu2 Na12 O78 Te2 W8 -","- Cu4 Na24 O156 Te4 W16 -","2","1","","Li, Xuanyao; Li, Peihe; Liu, Jinghai; Lin, Zhengguo; Hu, Changwen","Copper(ii)-containing tungstotellurates(vi): syntheses, structures and their catalytic performances in selective oxidation of thioethers","RSC Advances","2020","10","38","22515","22521","10.1039/D0RA02609C","","","0.71073","MoKα","","0.0441","0.0356","","","0.0988","0.1056","","","","","","1.038","","","","has coordinates","258137","2020-10-21","18:00:00",""
"7240711","10.484","0.0008","10.68","0.0008","12.0437","0.0009","76.36","0.0017","78.2885","0.0017","61.5611","0.0016","1145.84","0.15","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C4 H48 Cu N2 Na6 O48 Te W6 -","- C4 H16 Cu N2 Na6 O48 Te W6 -","- C4 H16 Cu N2 Na6 O48 Te W6 -","1","0.5","","Li, Xuanyao; Li, Peihe; Liu, Jinghai; Lin, Zhengguo; Hu, Changwen","Copper(ii)-containing tungstotellurates(vi): syntheses, structures and their catalytic performances in selective oxidation of thioethers","RSC Advances","2020","10","38","22515","22521","10.1039/D0RA02609C","","","0.71073","MoKα","","0.0375","0.0364","","","0.0905","0.0914","","","","","","1.032","","","","has coordinates","258137","2020-10-21","18:00:00",""
"7240712","7.528","0.0015","10.29","0.002","31.911","0.006","90.86","0.03","91.05","0.03","98.76","0.03","2442.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Cd N10 O7 -","- C44 H34 Cd N10 O7 -","- C88 H68 Cd2 N20 O14 -","2","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.0502","0.0441","","","0.1309","0.135","","","","","","1.007","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240713","10.952","0.002","10.209","0.002","19.122","0.006","90","","110.35","0.03","90","","2004.6","0.9","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C46 H28 Cd N10 O8 -","- C46 H28 Cd N10 O8 -","- C92 H56 Cd2 N20 O16 -","2","0.5","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.0404","0.0348","","","0.1197","0.1244","","","","","","0.979","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240714","32.636","0.007","10.132","0.002","19.09","0.004","90","","124.35","0.03","90","","5212","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 N5 O5 Zn -","- C26 H17 N5 O5 Zn -","- C208 H136 N40 O40 Zn8 -","8","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.053","0.0381","","","0.0931","0.0987","","","","","","0.968","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240715","23.202","0.005","10.079","0.002","20.756","0.004","90","","107.98","0.03","90","","4616.8","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Mn N6 O4 -","- C26 H18 Mn N6 O4 -","- C208 H144 Mn8 N48 O32 -","8","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.0587","0.0427","","","0.145","0.1571","","","","","","1.093","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240716","7.5418","0.0015","10.112","0.002","31.857","0.006","89.12","0.03","89.16","0.03","81.85","0.03","2404.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 N10 O7 Zn -","- C44 H34 N10 O7 Zn -","- C88 H68 N20 O14 Zn2 -","2","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.1179","0.0663","","","0.1642","0.184","","","","","","0.92","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240717","10.441","0.002","9.816","0.002","20.601","0.004","90","","93.04","0.03","90","","2108.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H14 N5 O4 Zn -","- C23 H14 N5 O4 Zn -","- C92 H56 N20 O16 Zn4 -","4","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.0316","0.027","","","0.0728","0.0746","","","","","","0.963","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240718","8.7507","0.0018","9.6193","0.0019","29.783","0.006","83.82","0.03","87.73","0.03","86.26","0.03","2485.8","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H32 Cu N10 O9 -","- C46 H32 Cu N10 O9 -","- C92 H64 Cu2 N20 O18 -","2","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.1135","0.0598","","","0.1433","0.1612","","","","","","0.89","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240719","23.049","0.005","10.196","0.002","21.45","0.004","90","","107.36","0.03","90","","4811.3","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cd N6 O6 -","- C26 H16 Cd N6 O6 -","- C208 H128 Cd8 N48 O48 -","8","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.0443","0.0349","","","0.1023","0.1135","","","","","","0.965","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240720","23.214","0.005","10.138","0.002","20.831","0.004","90","","108.02","0.03","90","","4662","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 Cd N5 O5 -","- C26 H17 Cd N5 O5 -","- C208 H136 Cd8 N40 O40 -","8","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.044","0.0354","","","0.129","0.1378","","","","","","1.055","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240721","23.391","0.005","10.103","0.002","20.736","0.004","90","","107.76","0.03","90","","4666.8","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cd N6 O4 -","- C26 H18 Cd N6 O4 -","- C208 H144 Cd8 N48 O32 -","8","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.0552","0.0435","","","0.1172","0.1232","","","","","","1.03","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240722","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.35307","synchrotron","","0.0334","0.0334","","0.0207","0.0207","","","","1.6975","1.6975","1.6975","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240723","4.5076","0.0001","7.7027","0.0001","15.9229","0.0003","90","","90","","90","","552.854","0.018","15","2","15","2","","","","","","","","4","P b c m","-P 2c 2b","57","Potassium hydrogen maleate","","","- C4 H3 K O4 -","- C4 H3 K O4 -","- C16 H12 K4 O16 -","4","0.5","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.3531","synchrotron","","0.0212","0.0212","","0.0213","0.0213","","","","2.9351","2.9351","2.9351","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240724","5.8331","0.0001","5.9439","0.0001","18.792","0.0004","90","","91.305","0.001","90","","651.38","0.02","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Lithium hydrogen maleate dihydrate","","","- C4 H7 Li O6 -","- C4 H7 Li O6 -","- C16 H28 Li4 O24 -","4","1","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.71073","MoKα","","0.0195","0.0195","","0.016","0.016","","","","2.4666","2.4666","2.4666","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240725","5.9224","0.0004","6.2512","0.0003","11.2141","0.0007","103.935","0.007","91.49","0.006","99.823","0.007","396.07","0.04","15","2","15","2","","","","","","","","4","P -1","-P 1","2","Sodium hydrogen maleate trihydrate","","","- C4 H9 Na O7 -","- C4 H9 Na O7 -","- C8 H18 Na2 O14 -","2","1","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.3531","synchrotron","","0.0185","0.0185","","0.0194","0.0194","","","","3.8153","3.8153","3.8153","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240726","7.8528","0.0001","5.5451","0.0001","10.9223","0.0002","90","","96.394","0.007","90","","472.648","0.015","16.5","1","16.5","1","","","","","","","","4","P 1 21 1","P 2yb","4","4-aminopyridinium hydrogen maleate","","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C18 H20 N4 O8 -","2","1","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.3532","synchrotron","","0.0195","0.0195","","0.0171","0.0171","","","","2.5401","2.5401","2.5401","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240727","10.905","0.002","5.2338","0.001","11.439","0.002","90","","101.36","0.03","90","","640.1","0.2","25","","25","","","","","","","","","4","P 1 21 1","P 2yb","4","L-phenylalaninium hydrogen maleate","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.354","synchrotron","","0.0204","0.0204","","0.0213","0.0213","","","","0.8688","0.8688","0.8688","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240728","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.3532","synchrotron","","0.0159","0.0159","","0.0168","0.0168","","","","3.0663","3.0663","3.0663","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240729","9.9819","0.0006","7.1284","0.0004","11.8414","0.0007","90","","114.07","0.002","90","","769.31","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","hexamine picric acid salt","","","- C12 H15 N7 O7 -","- C12 H15 N7 O7 -","- C24 H30 N14 O14 -","2","1","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.0637","0.0522","","","0.1176","0.1263","","","","","","1.147","","","","has coordinates","253166","2020-10-21","18:00:00",""
"7240730","12.462","0.002","6.7318","0.0011","18.747","0.003","90","","107.065","0.005","90","","1503.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","hexamine picric acid salt","","","- C12 H15 N7 O7 -","- C12 H15 N7 O7 -","- C48 H60 N28 O28 -","4","1","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.0979","0.0519","","","0.133","0.1764","","","","","","1.101","","","","has coordinates","253166","2020-10-21","18:00:00",""
"7240731","21.997","0.008","6.972","0.002","20.77","0.007","90","","90","","90","","3185.4","1.8","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","triethylamine picric acid salt","","","- C12 H18 N4 O7 -","- C12 H18 N4 O7 -","- C96 H144 N32 O56 -","8","2","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.1399","0.077","","","0.1751","0.2159","","","","","","1.004","","","","has coordinates","295543","2024-10-18","15:17:09",""
"7240732","6.9949","0.0009","12.5916","0.0019","19.969","0.003","90","","90","","90","","1758.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","triamine picric acid salt, 1:1","","","- C12 H21 N7 O7 -","- C12 H21 N7 O7 -","- C48 H84 N28 O28 -","4","1","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.1804","0.0686","","","0.1592","0.1967","","","","","","0.893","","","","has coordinates","253166","2020-10-21","18:00:00",""
"7240733","8.4362","0.0009","12.5183","0.0014","18.3788","0.0019","72.109","0.003","83.298","0.003","72.28","0.003","1758.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","triamine picric acid salt, 1:3","","","- C25 H31 N13 O22 -","- C25 H31 N13 O22 -","- C50 H62 N26 O44 -","2","1","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.0888","0.0592","","","0.1603","0.1774","","","","","","1.101","","","","has coordinates","253166","2020-10-21","18:00:00",""
"7240734","14.1276","0.0006","10.6978","0.0005","24.1392","0.0011","90","","106.656","0.001","90","","3495.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","triamine picric acid salt, 1:3","","","- C24 H31 N13 O23 -","- C24 H31 N13 O23 -","- C96 H124 N52 O92 -","4","1","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.0685","0.0495","","","0.1475","0.1682","","","","","","1.124","","","","has coordinates","253166","2020-10-21","18:00:00",""
"7240735","10.21","0.002","12.081","0.002","13.653","0.003","109.44","0.03","100.57","0.03","90.58","0.03","1556.5","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-(2-Anisole)-3-(phenyl)-1,4-dihydro-1,2,4-benzotriazin-4-yl","","- C20 H16 N3 O -","- C20 H16 N3 O -","- C80 H64 N12 O4 -","4","2","","Bazzi, Fadwat; Danke, Alexander J.; Lawson, Daniel B.; Manoli, Maria; Leitus, Gregory; Koutentis, Panayiotis Andreas; Constantinides, Christos P.","1-(2-Methoxyphenyl)-3-(phenyl)-1,4-dihydro-1,2,4-benzotriazin-4-yl: A Tricky “Structure-to-Magnetism” Correlation Aided by DFT Calculations","CrystEngComm","2020","","","","","10.1039/D0CE00669F","","","0.71073","MoKα","","0.0663","0.0571","","","0.1474","0.1533","","","","","","1.069","","","","has coordinates","253190","2020-10-21","18:00:00",""
"7240736","13.6722","0.0004","21.2561","0.0006","8.9159","0.0002","90","","95.877","0.001","90","","2577.5","0.12","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(2-hydroxy-5-methylbenzoyl)-5-methylbenzaldehyde","","- C16 H14 O3 -","- C16 H14 O3 -","- C128 H112 O24 -","8","2","","Akhtar, Muhammad Saeed; Thombal, Raju S.; Inductivo Tamargo, Ramuel John; Yang, Won-Guen; Kim, Sung Hong; Lee, Yong Rok","Eco-friendly organocatalyst- and reagent-controlled selective construction of diverse and multifunctionalized 2-hydroxybenzophenone frameworks for potent UV-A/B filters by cascade benzannulation","Green Chemistry","2020","22","14","4523","4531","10.1039/D0GC01011A","","","0.71073","MoKα","","0.058","0.0499","","","0.1428","0.1507","","","","","","1.067","","","","has coordinates","257611","2020-10-21","18:00:00",""
"7240737","7.3618","0.0003","7.4104","0.0002","25.4612","0.0009","90","","95.2808","0.0014","90","","1383.11","0.08","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(2-hydroxy-5-methylbenzoyl)-1-naphthaldehyde","","- C19 H14 O3 -","- C19 H14 O3 -","- C76 H56 O12 -","4","1","","Akhtar, Muhammad Saeed; Thombal, Raju S.; Inductivo Tamargo, Ramuel John; Yang, Won-Guen; Kim, Sung Hong; Lee, Yong Rok","Eco-friendly organocatalyst- and reagent-controlled selective construction of diverse and multifunctionalized 2-hydroxybenzophenone frameworks for potent UV-A/B filters by cascade benzannulation","Green Chemistry","2020","22","14","4523","4531","10.1039/D0GC01011A","","","0.71073","MoKα","","0.0504","0.0429","","","0.1088","0.1157","","","","","","1.069","","","","has coordinates","257611","2020-10-21","18:00:00",""
"7240738","18.554","0.002","11.4743","0.0012","22.167","0.002","90","","113.88","0.004","90","","4315.2","0.8","123","","123","","","","","","","","Sarah Keller","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cu F6 N2 O P3 -","- C48 H40 Cu F6 N2 O P3 -","- C192 H160 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; La Placa, Maria-Grazia; Junquera-Hernández, José M.; Bolink, Henk J.; Constable, Edwin C.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","The shiny side of copper: bringing copper(i) light-emitting electrochemical cells closer to application","RSC Advances","2020","10","38","22631","22644","10.1039/D0RA03824E","","","1.54178","CuKα","","0.0287","0.0284","","0.064","0.0639","0.064","","","","","","0.9127","","","","has coordinates","258139","2020-10-21","18:00:00",""
"7240739","11.8055","0.0003","15.0529","0.0004","18.6132","0.0005","113.589","0.002","92.96","0.002","108.444","0.002","2814.51","0.15","130","","130","","","","","","","","Sarah Keller","8","P -1","-P 1","2","","","","- C54.33 H50.66 Cl4.66 Cu F6 N2 O P3 -","- C52 H46 Cu F6 N2 O P3 -","- C104 H92 Cu2 F12 N4 O2 P6 -","2","1","","Keller, Sarah; Prescimone, Alessandro; La Placa, Maria-Grazia; Junquera-Hernández, José M.; Bolink, Henk J.; Constable, Edwin C.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","The shiny side of copper: bringing copper(i) light-emitting electrochemical cells closer to application","RSC Advances","2020","10","38","22631","22644","10.1039/D0RA03824E","","","1.34143","GaKα","","0.1253","0.0987","","0.3222","0.2929","0.3106","","","","","","1.0878","","","","has coordinates","258139","2020-10-21","18:00:00",""
"7240740","10.1954","0.001","21.104","0.002","10.7666","0.001","90","","102.835","0.003","90","","2258.7","0.4","123","","123","","","","","","","","Sarah Keller","7","P 1 21 1","P 2yb","4","","","","- C51 H44 Cu F6 N2 O P3 -","- C51 H44 Cu F6 N2 O P3 -","- C102 H88 Cu2 F12 N4 O2 P6 -","2","1","","Keller, Sarah; Prescimone, Alessandro; La Placa, Maria-Grazia; Junquera-Hernández, José M.; Bolink, Henk J.; Constable, Edwin C.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","The shiny side of copper: bringing copper(i) light-emitting electrochemical cells closer to application","RSC Advances","2020","10","38","22631","22644","10.1039/D0RA03824E","","","1.54178","CuKα","","0.0195","0.0195","","0.022","0.022","0.0219","","","","","","1.0919","","","","has coordinates","258139","2020-10-21","18:00:00",""
"7240741","12.3597","0.0008","16.6878","0.0011","21.4238","0.0014","90","","99.561","0.002","90","","4357.4","0.5","123","","123","","","","","","","","Sarah Keller","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 Cu F6 N2 O P3 -","- C50 H44 Cu F6 N2 O P3 -","- C200 H176 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; La Placa, Maria-Grazia; Junquera-Hernández, José M.; Bolink, Henk J.; Constable, Edwin C.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","The shiny side of copper: bringing copper(i) light-emitting electrochemical cells closer to application","RSC Advances","2020","10","38","22631","22644","10.1039/D0RA03824E","","","1.54178","CuKα","","0.048","0.0479","","0.0477","0.0476","0.0476","","","","","","1.097","","","","has coordinates","258139","2020-10-21","18:00:00",""
"7240742","10.164","0.0008","13.9335","0.0011","18.7219","0.0014","102.552","0.002","97.085","0.002","107.584","0.002","2415.7","0.3","123","","123","","","","","","","","Sarah Keller","8","P -1","-P 1","2","","","","- C51 H42 Cl2 Cu F6 N2 O P3 -","- C50 H40 Cu F6 N2 O P3 -","- C100 H80 Cu2 F12 N4 O2 P6 -","2","1","","Keller, Sarah; Prescimone, Alessandro; La Placa, Maria-Grazia; Junquera-Hernández, José M.; Bolink, Henk J.; Constable, Edwin C.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","The shiny side of copper: bringing copper(i) light-emitting electrochemical cells closer to application","RSC Advances","2020","10","38","22631","22644","10.1039/D0RA03824E","","","1.5418","CuKα","","0.0344","0.034","","0.0808","0.0808","0.0808","","","","","","0.9218","","","","has coordinates","258139","2020-10-21","18:00:00",""
"7240743","10.5631","0.0008","21.3906","0.0016","20.2696","0.0015","90","","93.185","0.003","90","","4572.9","0.6","123","","123","","","","","","","","Sarah Keller","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H44 Cu F6 N2 O P3 -","- C53 H44 Cu F6 N2 O P3 -","- C212 H176 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; La Placa, Maria-Grazia; Junquera-Hernández, José M.; Bolink, Henk J.; Constable, Edwin C.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","The shiny side of copper: bringing copper(i) light-emitting electrochemical cells closer to application","RSC Advances","2020","10","38","22631","22644","10.1039/D0RA03824E","","","1.54178","CuKα","","0.0471","0.0444","","0.1019","0.101","0.1019","","","","","","0.8993","","","","has coordinates","258139","2020-10-21","18:00:00",""
"7240744","9.7384","0.0007","14.1543","0.001","18.9271","0.0013","74.958","0.002","84.595","0.002","87.789","0.003","2508.1","0.3","130","","130","","","","","","","","Sarah Keller","7","P -1","-P 1","2","","","","- C55 H57 Cu F6 N2 O2.5 P3 -","- C49 H42 Cu F6 N2 O P3 -","- C98 H84 Cu2 F12 N4 O2 P6 -","2","1","","Keller, Sarah; Prescimone, Alessandro; La Placa, Maria-Grazia; Junquera-Hernández, José M.; Bolink, Henk J.; Constable, Edwin C.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","The shiny side of copper: bringing copper(i) light-emitting electrochemical cells closer to application","RSC Advances","2020","10","38","22631","22644","10.1039/D0RA03824E","","","1.5418","CuKα","","0.0521","0.049","","0.1501","0.1441","0.1498","","","","","","0.9723","","","","has coordinates","258139","2020-10-21","18:00:00",""
"7240745","7.6541","0.0006","14.2569","0.0015","17.3435","0.0011","89.723","0.007","87.557","0.006","87.201","0.008","1888.6","0.3","119.95","0.11","119.95","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H20 Cl3 Ho N2 O6 -","- C10 H20 Cl3 Ho N2 O6 -","- C40 H80 Cl12 Ho4 N8 O24 -","4","2","","Yinhua, Deng; Foroughi, Mohammad Mehdi; Aramesh-Boroujeni, Zahra; Jahani, Shohreh; Peydayesh, Mohadesh; Borhani, Fariba; Khatami, Mehrdad; Rohani, Meysam; Dusek, Michal; Eigner, Vaclav","The synthesis, characterization, DNA/BSA/HSA interactions, molecular modeling, antibacterial properties, and in vitro cytotoxic activities of novel parent and niosome nano-encapsulated Ho(iii) complexes","RSC Advances","2020","10","39","22891","22908","10.1039/D0RA03436C","","x-ray","0.71073","MoKα","","0.0626","0.0255","","","0.045","0.0467","","","","1.52","1.52","1.11","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7240746","36.47","0.002","8.5892","0.0006","17.3656","0.0013","90","","99.376","0.006","90","","5367.1","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H35 Cl2 Co N15 O -","- C12 H35 Cl2 Co N15 O -","- C96 H280 Cl16 Co8 N120 O8 -","8","1","","Villamizar-Delgado, Stephanny; Porras-Osorio, Laura M.; Piñeros, Octavio; Ellena, Javier; Balcazar, Norman; Varela-Miranda, Ruben E.; D'Vries, Richard F.","Biguanide‒transition metals complexes as potential drug for hyperglycemia treatment","RSC Advances","2020","10","38","22856","22863","10.1039/D0RA04059B","","x-ray","0.71073","MoKα","","0.1083","0.0601","","","0.1331","0.1598","","","","","","1.009","","","","has coordinates","258140","2020-10-21","18:00:00",""
"7240747","13.3863","0.0006","14.8373","0.0009","15.7512","0.0009","90","","104.757","0.005","90","","3025.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H23 Cl N10 Ni O -","- C8 H23 Cl N10 Ni O -","- C64 H184 Cl8 N80 Ni8 O8 -","8","2","","Villamizar-Delgado, Stephanny; Porras-Osorio, Laura M.; Piñeros, Octavio; Ellena, Javier; Balcazar, Norman; Varela-Miranda, Ruben E.; D'Vries, Richard F.","Biguanide–transition metals complexes as potential drug for hyperglycemia treatment","RSC Advances","2020","10","38","22856","22863","10.1039/D0RA04059B","","x-ray","0.71073","MoKα","","0.1088","0.0554","","","0.1135","0.1444","","","","","","1.133","","","","has coordinates","295677","2024-10-30","18:34:33",""
"7240748","12.52","0.0012","7.514","0.0006","13.0298","0.0013","90","","113.199","0.012","90","","1126.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","MetZn","","- C4 H12 Cl3 N5 Zn -","- C4 H12 Cl3 N5 Zn -","- C16 H48 Cl12 N20 Zn4 -","4","1","","Villamizar-Delgado, Stephanny; Porras-Osorio, Laura M.; Piñeros, Octavio; Ellena, Javier; Balcazar, Norman; Varela-Miranda, Ruben E.; D'Vries, Richard F.","Biguanide‒transition metals complexes as potential drug for hyperglycemia treatment","RSC Advances","2020","10","38","22856","22863","10.1039/D0RA04059B","","x-ray","0.71073","MoKα","","0.0553","0.0373","","","0.0823","0.0928","","","","","","1.09","","","","has coordinates","258140","2020-10-21","18:00:00",""
"7240749","5.1596","0.0014","11.562","0.002","15.091","0.004","90","","95.63","0.03","90","","895.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","MFNCu1","","- C8 H26 Cl2 Cu N10 O2 -","- C8 H26 Cl2 Cu N10 O2 -","- C16 H52 Cl4 Cu2 N20 O4 -","2","0.5","","Villamizar-Delgado, Stephanny; Porras-Osorio, Laura M.; Piñeros, Octavio; Ellena, Javier; Balcazar, Norman; Varela-Miranda, Ruben E.; D'Vries, Richard F.","Biguanide‒transition metals complexes as potential drug for hyperglycemia treatment","RSC Advances","2020","10","38","22856","22863","10.1039/D0RA04059B","","x-ray","0.71073","MoKα","","0.1055","0.0585","","","0.1284","0.157","","","","","","1.041","","","","has coordinates","258140","2020-10-21","18:00:00",""
"7240750","13.9738","0.0004","9.4252","0.0002","22.9485","0.0006","90","","102.3","0.001","90","","2953.07","0.13","170","2","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 N4 -","- C40 H28 N4 -","- C160 H112 N16 -","4","1","","Liu, Xiao-Jing; Gao, Guan-Lei; Jiang, Hao; Jia, Yan-Rong; Xia, Min","Deep insight into reasons for the mechanoluminescence phenomenon of triphenylamine-substituted imidazoles and their distinct mechano-fluorochromic behaviours","RSC Advances","2020","10","39","23187","23195","10.1039/D0RA02737E","","","0.71073","MoKα","","0.0463","0.0375","","","0.0861","0.0923","","","","","","1.034","","","","has coordinates","258028","2020-10-21","18:00:00",""
"7240751","13.0705","0.0004","9.7279","0.0003","22.9944","0.0007","90","","101.425","0.001","90","","2865.77","0.15","170","2","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 N4 -","- C40 H26 N4 -","- C160 H104 N16 -","4","1","","Liu, Xiao-Jing; Gao, Guan-Lei; Jiang, Hao; Jia, Yan-Rong; Xia, Min","Deep insight into reasons for the mechanoluminescence phenomenon of triphenylamine-substituted imidazoles and their distinct mechano-fluorochromic behaviours","RSC Advances","2020","10","39","23187","23195","10.1039/D0RA02737E","","","0.71073","MoKα","","0.0526","0.0415","","","0.1001","0.1079","","","","","","1.02","","","","has coordinates","258028","2020-10-21","18:00:00",""
"7240752","13.2852","0.0005","9.7783","0.0003","18.6415","0.0006","90","","94.186","0.001","90","","2415.2","0.14","170","2","169.99","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N4 -","- C32 H22 N4 -","- C128 H88 N16 -","4","1","","Liu, Xiao-Jing; Gao, Guan-Lei; Jiang, Hao; Jia, Yan-Rong; Xia, Min","Deep insight into reasons for the mechanoluminescence phenomenon of triphenylamine-substituted imidazoles and their distinct mechano-fluorochromic behaviours","RSC Advances","2020","10","39","23187","23195","10.1039/D0RA02737E","","","0.71073","MoKα","","0.047","0.0386","","","0.0934","0.0997","","","","","","1.031","","","","has coordinates","258028","2020-10-21","18:00:00",""
"7240753","10.4077","","7.7565","","27.7255","","90","","90","","90","","2238.21","","298","2","298","2","","","","","","","see text","6","P n a 21","P 2c -2n","33","Zn-ornidazole","","","- C14 H20 Cl4 N6 O6 Zn -","- C14 H20 Cl4 N6 O6 Zn -","- C56 H80 Cl16 N24 O24 Zn4 -","4","1","","Nandy, Promita; Singha, Soumen; Banyal, Neha; Kumar, Sanjay; Mukhopadhyay, Kasturi; Das, Saurabh","A ZnII complex of ornidazole with decreased nitro radical anions that is still highly active on Entamoeba histolytica","RSC Advances","2020","10","39","23286","23296","10.1039/D0RA02597F","powder diffraction","x-ray","1.54056","Cu-Kα1","","","","","","","","","","","","","","","","","has coordinates","258030","2020-10-21","18:00:00",""
"7240754","16.946","0.003","9.3354","0.0019","14.414","0.003","90","","120.28","0.03","90","","1969.2","0.9","153","2","153.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","dihydraine tetranitroethide","","- C2 H10 N8 O8 -","- C2 H10 N8 O8 -","- C16 H80 N64 O64 -","8","1","","Mei, Haozheng; Yang, Junqing; Cao, Wenli; Hu, Yong; He, Piao; Zhang, Jian-Guo","A new oxygen-rich energetic salt dihydrazine tetranitroethide: a promising explosive alternative with high density and good performance","RSC Advances","2020","10","39","23250","23253","10.1039/D0RA04167J","","","0.71073","MoKα","","0.0595","0.0511","","","0.1176","0.1236","","","","","","1.12","","","","has coordinates,has disorder","258031","2020-10-21","18:00:00",""
"7240755","11.8025","0.0004","6.6554","0.0002","19.9584","0.0008","90","","90.687","0.002","90","","1567.63","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C72 H80 N8 O8 -","4","1","","Liu, Yi; Meng, Ya-Nan; Huang, Xun-Jie; Qin, Fu-Hua; Wu, Dapeng; Shao, Qianjun; Guo, Zhiyong; Li, Qiang; Wei, Wen-Ting","Radical cyclization of 1,6-dienes with azobis(alkylcarbonitriles) on water under additive-free conditions","Green Chemistry","2020","22","14","4593","4596","10.1039/D0GC00140F","","","1.54178","CuKα","","0.0698","0.0482","","","0.1227","0.1363","","","","","","1.024","","","","has coordinates","257609","2020-10-21","18:00:00",""
"7240756","15.6845","0.0013","18.3664","0.0015","21.3297","0.0012","90","","100.584","0.007","90","","6039.9","0.8","102.4","","102.4","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","crystal-10","","- C25.5 H31.5 N8.5 O10.5 Zn -","- C25.5 H31.5 N8.5 O10.5 Zn -","- C204 H252 N68 O84 Zn8 -","8","1","","Han, Aiying; Su, Hao; Xu, Guohong; Khan, Maroof Ahmad; Li, Hui","Synthesis, crystal structures, and luminescent properties of Zn(ii), Cd(ii), Eu(iii) complexes and detection of Fe(iii) ions based on a diacylhydrazone Schiff base","RSC Advances","2020","10","39","23372","23378","10.1039/D0RA03642K","","","0.71073","MoKα","","0.0853","0.057","","","0.1026","0.1149","","","","","","1.043","","","","has coordinates,has disorder","258032","2020-10-21","18:00:00",""
"7240757","12.091","0.002","12.459","0.003","17.13","0.003","90.42","0.03","104.13","0.03","95.41","0.03","2490","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","HAN 10","","- C39 H37 Cd2 N13 O21 -","- C39 H37 Cd2 N13 O20 -","- C78 H74 Cd4 N26 O40 -","2","1","","Han, Aiying; Su, Hao; Xu, Guohong; Khan, Maroof Ahmad; Li, Hui","Synthesis, crystal structures, and luminescent properties of Zn(ii), Cd(ii), Eu(iii) complexes and detection of Fe(iii) ions based on a diacylhydrazone Schiff base","RSC Advances","2020","10","39","23372","23378","10.1039/D0RA03642K","","","0.71073","MoKα","","0.071","0.0575","","","0.1631","0.175","","","","","","1.08","","","","has coordinates","258032","2020-10-21","18:00:00",""
"7240758","27.308","0.006","19.968","0.005","16.327","0.003","90","","90","","90","","8903","3","296","2","296.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","beautiful hen","","- C66 H69 Eu2 N18 O30 S6 -","- C66 H69 Eu2 N18 O30 S6 -","- C264 H276 Eu8 N72 O120 S24 -","4","0.5","","Han, Aiying; Su, Hao; Xu, Guohong; Khan, Maroof Ahmad; Li, Hui","Synthesis, crystal structures, and luminescent properties of Zn(ii), Cd(ii), Eu(iii) complexes and detection of Fe(iii) ions based on a diacylhydrazone Schiff base","RSC Advances","2020","10","39","23372","23378","10.1039/D0RA03642K","","","0.71073","MoKα","","0.1437","0.0728","","","0.1676","0.2027","","","","","","1.031","","","","has coordinates,has disorder","258032","2020-10-21","18:00:00",""
"7240759","16.882","0.002","16.882","0.002","16.323","0.002","90","","90","","90","","4652.1","1","100","","100","","","","","","","","see text","3","I 41/a :2","-I 4ad","88","","","","- C40 H84 Si5 -","- C40 H84 Si5 -","- C160 H336 Si20 -","4","0.25","","Herz, Fabian A. D.; Nobis, Matthias; Wendel, Daniel; Pahl, Philipp; Altmann, Philipp J.; Tillmann, Jan; Weidner, Richard; Inoue, Shigeyoshi; Rieger, Bernhard","Application of multifunctional silylenes and siliranes as universal crosslinkers for metal-free curing of silicones","Green Chemistry","2020","22","14","4489","4497","10.1039/D0GC00272K","","x-ray","0.71073","MoKα","","0.0496","0.0431","","","0.1071","0.1125","","","","","","1.035","","","","has coordinates","257610","2020-10-21","18:00:00",""
"7240760","11.5002","0.0007","11.7543","0.0008","14.3642","0.001","97.266","0.005","106.616","0.005","111.9","0.005","1666","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H33 N5 O4 -","- C37 H33 N5 O4 -","- C74 H66 N10 O8 -","2","1","","Arumugam, Natarajan; Almansour, Abdulrahman I.; Kumar, Raju Suresh; Mohammad Ali Al-Aizari, Abdul Jaleel; Alaqeel, Shatha Ibrahim; Kansız, Sevgi; Krishna, Vagolu Siva; Sriram, Dharmarajan; Dege, Necmi","Regio- and diastereoselective synthesis of spiropyrroloquinoxaline grafted indole heterocyclic hybrids and evaluation of their anti-Mycobacterium tuberculosis activity","RSC Advances","2020","10","40","23522","23531","10.1039/D0RA02525A","","","0.71073","MoKα","","0.1384","0.0698","","","0.1805","0.2179","","","","","","0.982","","","","has coordinates","258086","2020-10-21","18:00:00",""
"7240761","6.4218","0.0006","14.8289","0.0014","20.2173","0.0019","90","","96.132","0.002","90","","1914.2","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","'4,4-isopropylidene bisphenol-3,4-xylenol'","","- C23 H26 O3 -","- C23 H26 O3 -","- C92 H104 O12 -","4","1","","Bouanga Boudiombo, Jacky S.; Su, Hong; Ravenscroft, N.; Bourne, Susan A.; Nassimbeni, Luigi","Invitation to Submit: The Cambridge Structural Database Selective enclathration of xylenols: synergistic effects of mixed hosts","CrystEngComm","2020","","","","","10.1039/D0CE00510J","","","0.71073","MoKα","","0.0753","0.0486","","","0.1095","0.1226","","","","","","1.023","","","","has coordinates","253345","2020-10-21","18:00:00",""
"7240762","6.3007","0.0003","20.7627","0.0011","29.9858","0.0014","90","","95.787","0.002","90","","3902.7","0.3","173","2","173","2","","","","","","","","3","P 1 n 1","P -2yac","7","","'4,4-isopropylidene bisphenol-2,3-xylenol-3,5-xylenol'","","- C23 H26 O3 -","- C23 H26 O3 -","- C184 H208 O24 -","8","4","","Bouanga Boudiombo, Jacky S.; Su, Hong; Ravenscroft, N.; Bourne, Susan A.; Nassimbeni, Luigi","Invitation to Submit: The Cambridge Structural Database Selective enclathration of xylenols: synergistic effects of mixed hosts","CrystEngComm","2020","","","","","10.1039/D0CE00510J","","","0.71073","MoKα","","0.044","0.0412","","","0.1009","0.1025","","","","","","1.048","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7240763","30.65","0.002","6.3048","0.0005","39.852","0.003","90","","91.359","0.002","90","","7698.9","1","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","'4,4-isopropylidene bisphenol-2,3-xylenol-2,6-xylenol'","","- C46 H52 O6 -","- C46 H52 O6 -","- C368 H416 O48 -","8","1","","Bouanga Boudiombo, Jacky S.; Su, Hong; Ravenscroft, N.; Bourne, Susan A.; Nassimbeni, Luigi","Invitation to Submit: The Cambridge Structural Database Selective enclathration of xylenols: synergistic effects of mixed hosts","CrystEngComm","2020","","","","","10.1039/D0CE00510J","","","0.71073","MoKα","","0.0417","0.0387","","","0.0996","0.1021","","","","","","1.036","","","","has coordinates,has disorder","253345","2020-10-21","18:00:00",""
"7240764","21.058","0.0009","15.538","0.0006","21.249","0.001","90","","98.481","0.001","90","","6876.6","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","'4,4-isopropylidene bisphenol-4,4'-(9-fluorenylidene) bisphenol-2,6-xylenol-3,5-xylenol'","","- C88 H78 O9 -","- C88 H78 O9 -","- C352 H312 O36 -","4","1","","Bouanga Boudiombo, Jacky S.; Su, Hong; Ravenscroft, N.; Bourne, Susan A.; Nassimbeni, Luigi","Invitation to Submit: The Cambridge Structural Database Selective enclathration of xylenols: synergistic effects of mixed hosts","CrystEngComm","2020","","","","","10.1039/D0CE00510J","","","0.71073","MoKα","","0.0894","0.05","","","0.111","0.13","","","","","","1.019","","","","has coordinates,has disorder","253345","2020-10-21","18:00:00",""
"7240765","10.8245","0.0004","12.1894","0.0003","13.0365","0.0004","81.94","0.002","69.924","0.003","84.811","0.002","1597.96","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H45 La N2 O8 -","- C29 H45 La N2 O8 -","- C58 H90 La2 N4 O16 -","2","1","","Kharitonov, Alexandr; Trofimova, Olesya Yur'evna; Meshcheryakova, Irina N.; Fukin, Georgii K.; Khrizanforov, Mikhail; Budnikova, Yulia H.; Bogomyakov, Artem Stepanovich; Aysin, Rinat R.; Kovalenko, Konstantin A.; Piskunov, Alexandr Vladimirovich","2D-Metal-organic coordination polymers of lanthanides (La(III), Pr(III) and Nd(III)) with redox-active dioxolene bridging ligand","CrystEngComm","2020","","","","","10.1039/D0CE00767F","","","0.71073","MoKα","","0.0329","0.0262","","","0.0601","0.0623","","","","","","1.038","","","","has coordinates,has disorder","253346","2020-10-21","18:00:00",""
"7240766","10.8521","0.0003","12.2651","0.0004","13.0496","0.0004","79.711","0.003","69.4","0.003","84.672","0.003","1598.87","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H90 N4 Nd2 O16 -","- C58 H90 N4 Nd2 O16 -","- C58 H90 N4 Nd2 O16 -","1","0.5","","Kharitonov, Alexandr; Trofimova, Olesya Yur'evna; Meshcheryakova, Irina N.; Fukin, Georgii K.; Khrizanforov, Mikhail; Budnikova, Yulia H.; Bogomyakov, Artem Stepanovich; Aysin, Rinat R.; Kovalenko, Konstantin A.; Piskunov, Alexandr Vladimirovich","2D-Metal-organic coordination polymers of lanthanides (La(III), Pr(III) and Nd(III)) with redox-active dioxolene bridging ligand","CrystEngComm","2020","","","","","10.1039/D0CE00767F","","","0.71073","MoKα","","0.0467","0.0343","","","0.0611","0.0634","","","","","","0.999","","","","has coordinates,has disorder","253346","2020-10-21","18:00:00",""
"7240767","10.8462","0.0004","12.2567","0.0004","13.0356","0.0004","80.342","0.003","69.642","0.003","84.833","0.003","1600.72","0.1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H45 N2 O8 Pr -","- C29 H45 N2 O8 Pr -","- C58 H90 N4 O16 Pr2 -","2","1","","Kharitonov, Alexandr; Trofimova, Olesya Yur'evna; Meshcheryakova, Irina N.; Fukin, Georgii K.; Khrizanforov, Mikhail; Budnikova, Yulia H.; Bogomyakov, Artem Stepanovich; Aysin, Rinat R.; Kovalenko, Konstantin A.; Piskunov, Alexandr Vladimirovich","2D-Metal-organic coordination polymers of lanthanides (La(III), Pr(III) and Nd(III)) with redox-active dioxolene bridging ligand","CrystEngComm","2020","","","","","10.1039/D0CE00767F","","","0.71073","MoKα","","0.0312","0.0237","","","0.0469","0.0484","","","","","","1.046","","","","has coordinates,has disorder","253346","2020-10-21","18:00:00",""
"7240768","7.145","0.0006","10.3161","0.0009","12.2769","0.0011","101.41","0.003","103.927","0.003","93.498","0.002","855.32","0.13","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H15 F3 N3 O S2 -","- C17 H15 F3 N3 O S2 -","- C34 H30 F6 N6 O2 S4 -","2","1","","Li, Xiao-Yun; Liu, Yan; Chen, Xiao-Lan; Lu, Xin-Yuan; Liang, Xing-Xing; Zhu, Shan-Shan; Wei, Chuan-Wan; Qu, Ling-Bo; Yu, Bing","6π-Electrocyclization in water: microwave-assisted synthesis of polyheterocyclic-fused quinoline-2-thiones","Green Chemistry","2020","22","14","4445","4449","10.1039/C9GC04445K","","","0.71073","MoKα","","0.0629","0.052","","","0.1399","0.1501","","","","","","1.029","","","","has coordinates","257612","2020-10-21","18:00:00",""
"7240769","12.4441","0.0002","12.4441","0.0002","19.0521","0.0005","90","","90","","90","","2950.32","0.1","296","","296","","","","","","","","","5","I 4/m","-I 4","87","","","","- C21 H15 Er8 Na4 O50 -","- C20.25 H14 Er8 Na4 O49 -","- C40.5 H28 Er16 Na8 O98 -","2","0.125","","Ponjan, Nutcha; Kielar, Filip; Dungkaew, Winya; Kongpatpanich, Kanokwan; Zenno, Hikaru; Hayami, Shinya; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Self-assembly of three-dimensional oxalate-bridged alkali(I)-lanthanide(III) heterometal-organic frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00099J","","x-ray","0.71073","MoKα","K-L~3~","0.0225","0.0199","","","0.0417","0.0425","","","","","","1.095","","","","has coordinates,has disorder","253389","2020-10-21","18:00:00",""
"7240770","12.5792","0.0004","12.5792","0.0004","19.2471","0.0008","90","","90","","90","","3045.59","0.19","296","","296","","","","","","","","","5","I 4/m","-I 4","87","","","","- C10.25 H4 Na2 O27.5 Tb4 -","- C10.25 H4 Na2 O27.5 Tb4 -","- C41 H16 Na8 O110 Tb16 -","4","0.25","","Ponjan, Nutcha; Kielar, Filip; Dungkaew, Winya; Kongpatpanich, Kanokwan; Zenno, Hikaru; Hayami, Shinya; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Self-assembly of three-dimensional oxalate-bridged alkali(I)-lanthanide(III) heterometal-organic frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00099J","","x-ray","0.71073","MoKα","K-L~3~","0.0524","0.0439","","","0.1022","0.105","","","","","","1.255","","","","has coordinates,has disorder","253389","2020-10-21","18:00:00",""
"7240771","12.5277","0.0003","12.5277","0.0003","19.1754","0.0008","90","","90","","90","","3009.45","0.16","296","","296","","","","","","","","","5","I 4/m","-I 4","87","","","","- C10.25 H4 Dy4 Na2 O27.5 -","- C10.25 H4 Dy4 Na2 O27.5 -","- C41 H16 Dy16 Na8 O110 -","4","0.25","","Ponjan, Nutcha; Kielar, Filip; Dungkaew, Winya; Kongpatpanich, Kanokwan; Zenno, Hikaru; Hayami, Shinya; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Self-assembly of three-dimensional oxalate-bridged alkali(I)-lanthanide(III) heterometal-organic frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00099J","","x-ray","0.71073","MoKα","K-L~3~","0.039","0.0309","","","0.0789","0.0824","","","","","","1.104","","","","has coordinates,has disorder","253389","2020-10-21","18:00:00",""
"7240772","10.7418","0.0003","10.043","0.0002","14.6765","0.0004","90","","104.329","0.003","90","","1534.04","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N O5 P -","- C14 H20 N O5 P -","- C56 H80 N4 O20 P4 -","4","1","","Lenartowicz, Paweł; Witkowska, Danuta; Żyszka-Haberecht, Beata; Dziuk, Błażej; Ejsmont, Krzysztof; Świątek-Kozłowska, Jolanta; Kafarski, Paweł","A novel approach for obtaining α,β-diaminophosphonates bearing structurally diverse side chains and their interactions with transition metal ions studied by ITC","RSC Advances","2020","10","40","24045","24056","10.1039/D0RA03764H","","","0.71073","MoKα","","0.036","0.028","","","0.0754","0.0773","","","","","","1.07","","","","has coordinates","258085","2020-10-21","18:00:00",""
"7240773","9.9692","0.0003","17.6005","0.0005","10.3762","0.0003","90","","111.329","0.004","90","","1695.94","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H25 N2 O6 P -","- C13 H25 N2 O6 P -","- C52 H100 N8 O24 P4 -","4","1","","Lenartowicz, Paweł; Witkowska, Danuta; Żyszka-Haberecht, Beata; Dziuk, Błażej; Ejsmont, Krzysztof; Świątek-Kozłowska, Jolanta; Kafarski, Paweł","A novel approach for obtaining α,β-diaminophosphonates bearing structurally diverse side chains and their interactions with transition metal ions studied by ITC","RSC Advances","2020","10","40","24045","24056","10.1039/D0RA03764H","","","0.71073","MoKα","","0.0456","0.0308","","","0.0677","0.0708","","","","","","0.941","","","","has coordinates","258085","2020-10-21","18:00:00",""
"7240774","23.791","0.002","6.7169","0.0006","17.0032","0.0016","90","","103.374","0.004","90","","2643.5","0.4","90","0.2","90","0.2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C57 H58 Cl2 N4 O12 -","- C57 H58 Cl2 N4 O12 -","- C114 H116 Cl4 N8 O24 -","2","0.5","","George, Nathaniel; Ofori, Samuel; Parkin, Sean; Awuah, Samuel G.","Mild deprotection of the N-tert-butyloxycarbonyl (N-Boc) group using oxalyl chloride","RSC Advances","2020","10","40","24017","24026","10.1039/D0RA04110F","","","1.54178","CuKα","","0.0427","0.038","","","0.0975","0.1008","","","","","","1.033","","","","has coordinates,has disorder","258084","2020-10-21","18:00:00",""
"7240775","65.1891","0.0018","7.4274","0.0002","5.7999","0.0002","90","","90","","90","","2808.23","0.15","123","","123","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C38 H28 O2 S3 -","- C38 H28 O2 S3 -","- C152 H112 O8 S12 -","4","0.5","","Matsuo, Takumi; Rössiger, Carina; Herr, Jasmin; Göttlich, Richard; Schlettwein, Derck; Mizuno, Hitoshi; Sasaki, Fumio; Yanagi, Hisao","Synthesis and characterization of methoxy- or cyano-substituted thiophene/phenylene co-oligomers for lasing application","RSC Advances","2020","10","40","24057","24062","10.1039/D0RA04742B","","","0.71075","MoKα","","0.0472","0.0429","","","0.1058","0.1077","","","","","","1.065","","","","has coordinates","258083","2020-10-21","18:00:00",""
"7240776","9.486","0.004","14.918","0.006","19.581","0.009","82.727","0.008","87.506","0.008","89.924","0.007","2746","2","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H22 N2 S3 -","- C38 H22 N2 S3 -","- C152 H88 N8 S12 -","4","2","","Matsuo, Takumi; Rössiger, Carina; Herr, Jasmin; Göttlich, Richard; Schlettwein, Derck; Mizuno, Hitoshi; Sasaki, Fumio; Yanagi, Hisao","Synthesis and characterization of methoxy- or cyano-substituted thiophene/phenylene co-oligomers for lasing application","RSC Advances","2020","10","40","24057","24062","10.1039/D0RA04742B","","","0.71075","MoKα","","0.207","0.0861","","","0.1615","0.2189","","","","","","0.925","","","","has coordinates","258083","2020-10-21","18:00:00",""
"7240777","12.7076","0.0004","26.0229","0.0009","11.0787","0.0004","90","","100.187","0.002","90","","3605.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O9 U -","- C16 H16 O9 U -","- C128 H128 O72 U8 -","8","2","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya","Variability of structural motifs in the crystal structure of U(VI) complexes with p-methoxybenzoic acid","CrystEngComm","2020","","","","","10.1039/D0CE00681E","","","0.71073","MoKα","","0.0776","0.0412","","","0.0681","0.0774","","","","","","1.013","","","","has coordinates","253431","2020-10-21","18:00:00",""
"7240778","9.4519","0.0004","28.081","0.0011","13.1169","0.0005","90","","103.668","0.003","90","","3382.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N2 O12 U -","- C32 H38 N2 O12 U -","- C128 H152 N8 O48 U4 -","4","1","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya","Variability of structural motifs in the crystal structure of U(VI) complexes with p-methoxybenzoic acid","CrystEngComm","2020","","","","","10.1039/D0CE00681E","","","0.71073","MoKα","","0.0714","0.0447","","","0.1062","0.1172","","","","","","1.024","","","","has coordinates","253431","2020-10-21","18:00:00",""
"7240779","9.6028","0.0002","12.4495","0.0003","20.1988","0.0005","79.199","0.001","83.798","0.001","84.017","0.001","2349.37","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H88 N4 O40 U4 -","- C90 H88 N4 O40 U4 -","- C90 H88 N4 O40 U4 -","1","0.5","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya","Variability of structural motifs in the crystal structure of U(VI) complexes with p-methoxybenzoic acid","CrystEngComm","2020","","","","","10.1039/D0CE00681E","","","0.71073","MoKα","","0.0555","0.0329","","","0.0613","0.067","","","","","","1.009","","","","has coordinates,has disorder","253431","2020-10-21","18:00:00",""
"7240780","17.282","0.01","7.629","0.004","41.71","0.02","90","","98.812","0.017","90","","5434","5","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Pterostilbene","","- C16 H16 O3 -","- C16 H16 O3 -","- C256 H256 O48 -","16","2","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Frontera, Antonio","A Late Appearing Polymorph of Nutraceutical Pterostilbene","CrystEngComm","2020","","","","","10.1039/D0CE00837K","","","0.71073","MoKα","","0.0746","0.0489","","","0.1029","0.1173","","","","","","1.063","","","","has coordinates","253464","2020-10-21","18:00:00",""
"7240781","10.61","0.0012","9.0183","0.001","23.47","0.003","90","","98.891","0.002","90","","2218.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N3 O3 -","- C27 H23 N3 O3 -","- C108 H92 N12 O12 -","4","1","","Wang, Zhan-Yong; Yang, Ting; Chen, Rongxiang; Ma, Xueji; Liu, Huan; Wang, Kai-Kai","1,3-Dipolar cycloaddition of isatin N,N′-cyclic azomethine imines with α,β-unsaturated aldehydes catalyzed by DBU in water","RSC Advances","2020","10","41","24288","24292","10.1039/D0RA03806G","","","0.71073","MoKα","","0.1209","0.0591","","","0.1131","0.1328","","","","","","0.959","","","","has coordinates","257996","2020-10-21","18:00:00",""
"7240782","31.47","0.02","8.542","0.006","16.198","0.012","90","","95.7","0.015","90","","4333","5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 N3 O3 -","- C27 H23 N3 O3 -","- C216 H184 N24 O24 -","8","1","","Wang, Zhan-Yong; Yang, Ting; Chen, Rongxiang; Ma, Xueji; Liu, Huan; Wang, Kai-Kai","1,3-Dipolar cycloaddition of isatin N,N′-cyclic azomethine imines with α,β-unsaturated aldehydes catalyzed by DBU in water","RSC Advances","2020","10","41","24288","24292","10.1039/D0RA03806G","","","0.71073","MoKα","","0.1305","0.0517","","","0.1073","0.1313","","","","","","0.951","","","","has coordinates","257996","2020-10-21","18:00:00",""
"7240783","16.469","0.002","8.1558","0.0008","16.897","0.002","90","","118.733","0.017","90","","1990.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 N4 Ni O2 -","- C42 H48 N4 Ni O2 -","- C84 H96 N8 Ni2 O4 -","2","0.5","","Nasibipour, Mina; Safaei, Elham; Masoumpour, Marziyeh Sadat; Wojtczak, Andrzej","Ancillary ligand electro-activity effects towards phenyl acetylene homocoupling reaction by a nickel(ii) complex of a non-innocent O-amino phenol ligand: a mechanistic insight","RSC Advances","2020","10","41","24176","24189","10.1039/D0RA04362A","","","0.71073","MoKα","","0.0742","0.0462","","","0.1037","0.1146","","","","","","0.977","","","","has coordinates","257994","2020-10-21","18:00:00",""
"7240784","11.1374","0.0006","11.874","0.0006","13.7441","0.0009","84.977","0.002","82.117","0.002","72.438","0.001","1714.45","0.17","296","1","296","1","","","","","","","separation","6","P -1","-P 1","2","3-sec-butyl-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H) –dione","3-sec-butyl-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H) –dione","","- C32 H37 Cl Mg N4 O6 -","- C32 H37 Cl Mg N4 O6 -","- C64 H74 Cl2 Mg2 N8 O12 -","2","1","","Zhu, Jin-xin; Lu, Yaojia; Chen, Jun; Chen, Jianwei; Zhang, Huawei; Bao, Xiaoze; Ye, Xinyi; Wang, Hong","Total synthesis of quinolactacin-H from marine-derived Penicillium sp. ENP701 and biological activities","RSC Advances","2020","10","41","24251","24254","10.1039/D0RA05244B","","","0.71073","MoKα","","0.1498","0.1216","","","0.2572","0.2686","","","","","","1.005","","","","has coordinates","295935","2024-11-15","13:55:43",""
"7240785","10.245","0.0012","12.4101","0.001","14.5367","0.0013","112.234","0.008","106.909","0.01","94.287","0.008","1600.8","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C70 H46 Eu2 F12 N8 O10 -","- C70 H46 Eu2 F12 N8 O10 -","- C70 H46 Eu2 F12 N8 O10 -","1","0.5","","Zhao, Yafeng; Xu, Yanhong; Xu, Bing; Cen, Peipei; Song, Weiming; Duan, Lijuan; Liu, Xiangyu","A dual-sensitized luminescent europium(iii) complex as a photoluminescent probe for selectively detecting Fe3+","RSC Advances","2020","10","41","24244","24250","10.1039/D0RA03821K","","","0.71073","MoKα","","0.0979","0.0714","","","0.1437","0.16","","","","","","1.011","","","","has coordinates","257995","2020-10-21","18:00:00",""
"7240786","10.303","0.0003","19.0612","0.0005","11.2798","0.0003","90","","98.019","0.002","90","","2193.55","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","m-fluorobenzoate-tin-porphrin","","","- C54 H32 F2 N8 O4 Sn -","- C54 H32 F2 N8 O4 Sn -","- C108 H64 F4 N16 O8 Sn2 -","2","0.5","","Rani, Jyoti; Arora, Ashim; Ahmed, J. Irshad; Adhikari, Debashis; Natarajan, Palani; Venugopalan, P.; Patra, Ranjan","Nature of Fluorine Interactions in ‘Wheel and Axle’ Topology Based Hexa-Coordinated Sn(IV)-Porphyrins: An Experimental and Theoretical Analysis","CrystEngComm","2020","","","","","10.1039/D0CE00333F","","","0.71073","MoKα","","0.0473","0.0353","","","0.0999","0.1058","","","","","","1.054","","","","has coordinates","253505","2020-10-21","18:00:00",""
"7240787","10.2892","0.0002","18.7516","0.0003","11.5557","0.0002","90","","99.881","0.002","90","","2196.47","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","p-fluorobenzoate-tin-porphrin","","","- C54 H32 F2 N8 O4 Sn -","- C54 H32 F2 N8 O4 Sn -","- C108 H64 F4 N16 O8 Sn2 -","2","0.5","","Rani, Jyoti; Arora, Ashim; Ahmed, J. Irshad; Adhikari, Debashis; Natarajan, Palani; Venugopalan, P.; Patra, Ranjan","Nature of Fluorine Interactions in ‘Wheel and Axle’ Topology Based Hexa-Coordinated Sn(IV)-Porphyrins: An Experimental and Theoretical Analysis","CrystEngComm","2020","","","","","10.1039/D0CE00333F","","","0.71073","MoKα","","0.0463","0.0393","","","0.121","0.1258","","","","","","1.051","","","","has coordinates","253505","2020-10-21","18:00:00",""
"7240788","8.7422","0.0003","12.136","0.0007","12.4046","0.0005","60.769","0.005","89.027","0.003","86.065","0.004","1145.57","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Penta-fluorobenzoate-tin-porphrin","","","- C54 H24 F10 N8 O4 Sn -","- C54 H24 F10 N8 O4 Sn -","- C54 H24 F10 N8 O4 Sn -","1","0.5","","Rani, Jyoti; Arora, Ashim; Ahmed, J. Irshad; Adhikari, Debashis; Natarajan, Palani; Venugopalan, P.; Patra, Ranjan","Nature of Fluorine Interactions in ‘Wheel and Axle’ Topology Based Hexa-Coordinated Sn(IV)-Porphyrins: An Experimental and Theoretical Analysis","CrystEngComm","2020","","","","","10.1039/D0CE00333F","","","0.71073","MoKα","","0.0441","0.0428","","","0.1104","0.1116","","","","","","1.059","","","","has coordinates","253505","2020-10-21","18:00:00",""
"7240789","20.36","0.007","20.36","0.007","25.461","0.011","90","","90","","120","","9140","6","93","2","93","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C162 H288 Cl18 N12 O78 -","- C240 H276 N12 O60 -","- C240 H276 N12 O60 -","1","0.0833333","","Shimoyama, Daisuke; Sekiya, Ryo; Maekawa, Hiroyuki; Kudo, Hiroto; HAINO, Takeharu","One-dimensional arrangement of NORIA in the solid-state","CrystEngComm","2020","","","","","10.1039/D0CE00650E","","","0.71073","MoKα","","0.2802","0.1895","","","0.5185","0.5845","","","","","","1.997","","","","has coordinates","253506","2020-10-21","18:00:00",""
"7240790","14.996","0.005","15.49","0.005","19.749","0.006","69.675","0.004","70.062","0.004","82.109","0.004","4043","2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C162 H224 Cl6 N10 O38 -","- C120 H138 N6 O30 -","- C120 H138 N6 O30 -","1","0.5","","Shimoyama, Daisuke; Sekiya, Ryo; Maekawa, Hiroyuki; Kudo, Hiroto; HAINO, Takeharu","One-dimensional arrangement of NORIA in the solid-state","CrystEngComm","2020","","","","","10.1039/D0CE00650E","","","0.71073","MoKα","","0.1666","0.1181","","","0.348","0.3865","","","","","","1.053","","","","has coordinates","253506","2020-10-21","18:00:00",""
"7240791","15.062","0.003","15.485","0.003","19.841","0.004","69.18","0.002","69.948","0.002","81.943","0.002","4062.4","1.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C158 H224 Cl6 N10 O38 -","- C120 H138 N6 O30 -","- C120 H138 N6 O30 -","1","0.5","","Shimoyama, Daisuke; Sekiya, Ryo; Maekawa, Hiroyuki; Kudo, Hiroto; HAINO, Takeharu","One-dimensional arrangement of NORIA in the solid-state","CrystEngComm","2020","","","","","10.1039/D0CE00650E","","","0.71073","MoKα","","0.2152","0.1462","","","0.4338","0.4689","","","","","","1.527","","","","has coordinates","253506","2020-10-21","18:00:00",""
"7240792","20.144","0.005","20.144","0.005","25.29","0.007","90","","90","","120","","8887","4","93","2","93","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C165 H234 Cl18 N12 O48 -","- C282 H324 N12 O60 -","- C282 H324 N12 O60 -","1","0.0833333","","Shimoyama, Daisuke; Sekiya, Ryo; Maekawa, Hiroyuki; Kudo, Hiroto; HAINO, Takeharu","One-dimensional arrangement of NORIA in the solid-state","CrystEngComm","2020","","","","","10.1039/D0CE00650E","","","0.71073","MoKα","","0.2126","0.1692","","","0.5562","0.6065","","","","","","2.862","","","","has coordinates,has disorder","253506","2020-10-21","18:00:00",""
"7240793","15.207","0.009","15.514","0.009","19.951","0.012","69.268","0.007","69.788","0.008","81.759","0.008","4130","4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C164 H244 Cl6 N10 O36 -","- C114 H124 N4 O28 -","- C114 H124 N4 O28 -","1","0.5","","Shimoyama, Daisuke; Sekiya, Ryo; Maekawa, Hiroyuki; Kudo, Hiroto; HAINO, Takeharu","One-dimensional arrangement of NORIA in the solid-state","CrystEngComm","2020","","","","","10.1039/D0CE00650E","","","0.71073","MoKα","","0.2182","0.1379","","","0.4028","0.4565","","","","","","1.268","","","","has coordinates","253506","2020-10-21","18:00:00",""
"7240794","7.0087","0.0001","12.3981","0.0002","15.1304","0.0003","90","","90","","90","","1314.75","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","5-fluorouracil L-phenylalanine","5-Fluoropyrimidine-2,4(1H,3H)-dione 2-ammonio-3-phenylpropanoate","","- C13 H14 F N3 O4 -","- C13 H14 F N3 O4 -","- C52 H56 F4 N12 O16 -","4","1","","Wang, Lin-Lin; Wang, Ling-Yang; Yu, Yueming; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Cocrystallization of 5-fluorouracil and L-phenylalanine: The first zwitterionic cocrystal of 5-fluorouracil with amino acid exhibiting the perfected in vitro/vivo pharmaceutical properties","CrystEngComm","2020","","","","","10.1039/D0CE00713G","","","1.54184","CuKα","","0.0344","0.032","","","0.0754","0.0775","","","","","","1.059","","","","has coordinates","253543","2020-10-21","18:00:00",""
"7240795","8.9985","0.0002","11.8275","0.0003","17.5639","0.0003","90","","103.4","0.002","90","","1818.43","0.07","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 N5 O8 P2 -","- C11 H19 N5 O8 P2 -","- C44 H76 N20 O32 P8 -","4","1","","Olyshevets, Iryna; Ovchynnikov, Vladimir; Kariaka, Nataliia; Dyakonenko, Viktoriya; Shishkina, Svitlana; Sliva, Tatiana; Ostrowska, Małgorzata; Jedyńczuk, Aleksandra; Gumienna-Kontecka, Elżbieta; Amirkhanov, Vladimir","Lanthanide complexes based on a new bis-chelating carbacylamidophosphate (CAPh) scorpionate-like ligand","RSC Advances","2020","10","42","24808","24816","10.1039/D0RA04714G","","","0.71073","MoKα","","0.071","0.0498","","","0.1299","0.1378","","","","","","1.07","","","","has coordinates,has disorder","258025","2020-10-21","18:00:00",""
"7240796","13.3844","0.0006","17.2947","0.0006","19.5123","0.0008","90","","106.525","0.005","90","","4330.1","0.3","294","","294","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H44 Eu N11 O20 P4 -","- C25 H44 Eu N11 O20 P4 -","- C100 H176 Eu4 N44 O80 P16 -","4","1","","Olyshevets, Iryna; Ovchynnikov, Vladimir; Kariaka, Nataliia; Dyakonenko, Viktoriya; Shishkina, Svitlana; Sliva, Tatiana; Ostrowska, Małgorzata; Jedyńczuk, Aleksandra; Gumienna-Kontecka, Elżbieta; Amirkhanov, Vladimir","Lanthanide complexes based on a new bis-chelating carbacylamidophosphate (CAPh) scorpionate-like ligand","RSC Advances","2020","10","42","24808","24816","10.1039/D0RA04714G","","x-ray","0.71073","MoKα","","0.0861","0.0591","","","0.1413","0.1622","","","","","","1.031","","","","has coordinates","258025","2020-10-21","18:00:00",""
"7240797","13.134","0.002","17.152","0.002","19.453","0.003","90","","107.506","0.019","90","","4179.3","1.1","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H44 N11 O20 P4 Tb -","- C25 H44 N11 O20 P4 Tb -","- C100 H176 N44 O80 P16 Tb4 -","4","1","","Olyshevets, Iryna; Ovchynnikov, Vladimir; Kariaka, Nataliia; Dyakonenko, Viktoriya; Shishkina, Svitlana; Sliva, Tatiana; Ostrowska, Małgorzata; Jedyńczuk, Aleksandra; Gumienna-Kontecka, Elżbieta; Amirkhanov, Vladimir","Lanthanide complexes based on a new bis-chelating carbacylamidophosphate (CAPh) scorpionate-like ligand","RSC Advances","2020","10","42","24808","24816","10.1039/D0RA04714G","","x-ray","0.71073","MoKα","","0.1448","0.079","","","0.1684","0.2067","","","","","","0.983","","","","has coordinates,has disorder","258025","2020-10-21","18:00:00",""
"7240798","13.74","0.002","17.912","0.003","9.9299","0.0015","90","","108.507","0.016","90","","2317.5","0.7","294","","294","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 N5 Na O9 P2 -","- C14 H26 N5 Na O9 P2 -","- C56 H104 N20 Na4 O36 P8 -","4","1","","Olyshevets, Iryna; Ovchynnikov, Vladimir; Kariaka, Nataliia; Dyakonenko, Viktoriya; Shishkina, Svitlana; Sliva, Tatiana; Ostrowska, Małgorzata; Jedyńczuk, Aleksandra; Gumienna-Kontecka, Elżbieta; Amirkhanov, Vladimir","Lanthanide complexes based on a new bis-chelating carbacylamidophosphate (CAPh) scorpionate-like ligand","RSC Advances","2020","10","42","24808","24816","10.1039/D0RA04714G","","x-ray","0.71073","MoKα","","0.2012","0.0964","","","0.1778","0.2182","","","","","","1.027","","","","has coordinates","258025","2020-10-21","18:00:00",""
"7240799","5.301","0.0002","10.0099","0.0003","15.2097","0.0006","90","","96.882","0.001","90","","801.25","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Co N4 O6 -","- C16 H14 Co N4 O6 -","- C32 H28 Co2 N8 O12 -","2","0.5","","García-Valdivia, Antonio A.; Zabala-Lekuona, Andoni; Ramírez-Rodríguez, Gloria Belén; Delgado-López, José Manuel; Fernandez, Belen; Cepeda, Javier; Rodríguez Diéguez, Antonio","2D-Coordination Polymers based on 1H-Indazole-4-carboxylic acid and Transition Metal ions: Magnetic, Luminescent and Biological Properties","CrystEngComm","2020","","","","","10.1039/D0CE00544D","","","0.71073","MoKα","","0.0284","0.0246","","","0.0642","0.0662","","","","","","0.989","","","","has coordinates","253588","2020-10-21","18:00:00",""
"7240800","12.3609","0.0015","9.9856","0.0011","12.3887","0.0014","90","","90","","90","","1529.1","0.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H10 Cd N4 O4 -","- C16 H10 Cd N4 O4 -","- C64 H40 Cd4 N16 O16 -","4","0.5","","García-Valdivia, Antonio A.; Zabala-Lekuona, Andoni; Ramírez-Rodríguez, Gloria Belén; Delgado-López, José Manuel; Fernandez, Belen; Cepeda, Javier; Rodríguez Diéguez, Antonio","2D-Coordination Polymers based on 1H-Indazole-4-carboxylic acid and Transition Metal ions: Magnetic, Luminescent and Biological Properties","CrystEngComm","2020","","","","","10.1039/D0CE00544D","","","0.71069","MoKα","","0.1192","0.113","","","0.289","0.2917","","","","","","1.496","","","","has coordinates","253588","2020-10-21","18:00:00",""
"7240801","5.305","0.0003","9.988","0.0004","15.082","0.0007","90","","97.362","0.002","90","","792.55","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N4 Ni O6 -","- C16 H14 N4 Ni O6 -","- C32 H28 N8 Ni2 O12 -","2","0.5","","García-Valdivia, Antonio A.; Zabala-Lekuona, Andoni; Ramírez-Rodríguez, Gloria Belén; Delgado-López, José Manuel; Fernandez, Belen; Cepeda, Javier; Rodríguez Diéguez, Antonio","2D-Coordination Polymers based on 1H-Indazole-4-carboxylic acid and Transition Metal ions: Magnetic, Luminescent and Biological Properties","CrystEngComm","2020","","","","","10.1039/D0CE00544D","","","0.71069","MoKα","","0.0254","0.0223","","","0.0558","0.0571","","","","","","1.057","","","","has coordinates","253588","2020-10-21","18:00:00",""
"7240802","10.1061","0.0008","9.8617","0.0007","14.7053","0.0008","90","","94.716","0.002","90","","1460.62","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cu N4 O5 -","- C16 H12 Cu N4 O5 -","- C64 H48 Cu4 N16 O20 -","4","1","","García-Valdivia, Antonio A.; Zabala-Lekuona, Andoni; Ramírez-Rodríguez, Gloria Belén; Delgado-López, José Manuel; Fernandez, Belen; Cepeda, Javier; Rodríguez Diéguez, Antonio","2D-Coordination Polymers based on 1H-Indazole-4-carboxylic acid and Transition Metal ions: Magnetic, Luminescent and Biological Properties","CrystEngComm","2020","","","","","10.1039/D0CE00544D","","","0.71073","MoKα","","0.1269","0.0868","","","0.1254","0.1355","","","","","","1.201","","","","has coordinates","253588","2020-10-21","18:00:00",""
"7240803","9.6034","0.0019","16.434","0.003","15.873","0.003","90","","97.27","0.03","90","","2485","0.8","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N3 O7 Zn -","- C28 H21 N3 O7 Zn -","- C112 H84 N12 O28 Zn4 -","4","1","","Xue, Peng Chong; Han, Yanning; Zhang, Tong; Huo, Jianzhong","Effect of electron-withdrawing moieties on mechanochromism of phenothiazine derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00770F","","","0.71073","MoKα","","0.0749","0.054","","","0.1225","0.1362","","","","","","1.038","","","","has coordinates","253589","2020-10-21","18:00:00",""
"7240804","42.333","0.009","9.3912","0.0019","18.577","0.004","90","","113.69","0.03","90","","6763","3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N4.5 O10.5 Zn1.5 -","- C32 H30 N4.5 O10.5 Zn1.5 -","- C256 H240 N36 O84 Zn12 -","8","1","","Xue, Peng Chong; Han, Yanning; Zhang, Tong; Huo, Jianzhong","Effect of electron-withdrawing moieties on mechanochromism of phenothiazine derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00770F","","","0.71073","MoKα","","0.0719","0.0554","","","0.1333","0.1438","","","","","","1.051","","","","has coordinates,has disorder","253589","2020-10-21","18:00:00",""
"7240805","18.9975","0.0009","9.0067","0.0004","10.9126","0.0006","90","","106.275","0.002","90","","1792.38","0.15","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl2 N3 O3 -","- C17 H17 Cl2 N3 O3 -","- C68 H68 Cl8 N12 O12 -","4","1","","da Silva, Cecilia; Owoyemi, Bolaji Charles Dayo; Alvarenga-Jr, Benedito R.; Alvarez, Natalia; Ellena, Javier A.; Carneiro, Renato Lajarim","Synthesis and solid-state characterization of diclofenac imidazolium monohydrate: an imidazolium pharmaceutical ionic liquid","CrystEngComm","2020","","","","","10.1039/D0CE00723D","","x-ray","0.71073","MoKα","","0.0739","0.0473","","","0.1183","0.1351","","","","","","1.026","","","","has coordinates,has disorder","253590","2020-10-21","18:00:00",""
"7240806","8.616","0.004","8.888","0.004","17.715","0.008","90","","96.499","0.009","90","","1347.9","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H3 Co N18 -","- C6 H3 Co N18 -","- C24 H12 Co4 N72 -","4","1","","Wu, Shuo; Li, Min; Yang, Zhengyi; Xia, Zhengqiang; Liu, Bin; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli; Lu, Jack Y.","Synthesis and characterization of a new energetic metal‒organic framework for use in potential propellant compositions","Green Chemistry","2020","22","15","5050","5058","10.1039/D0GC01594F","","","0.71073","MoKα","","0.1007","0.053","","","0.1249","0.1496","","","","","","0.999","","","","has coordinates","257619","2020-10-21","18:00:00",""
"7240807","11.2054","0.0001","11.2054","0.0001","83.0175","0.0009","90","","90","","90","","10423.8","0.17","200","2","200","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C22 H35 Cl2 N4 O2.5 -","- C22 H35 Cl2 N4 O2.5 -","- C352 H560 Cl32 N64 O40 -","16","2","","Esteve, Ferran; Altava, Belén; Burguete, M. Isabel; Bolte, Michael; García-Verdugo, Eduardo; Luis, Santiago V.","Pseudopeptidic macrocycles as cooperative minimalistic synzyme systems for the remarkable activation and conversion of CO2 in the presence of the chloride anion","Green Chemistry","2020","22","14","4697","4705","10.1039/D0GC01449D","","","1.54184","CuKα","","0.0748","0.07","","","0.1758","0.1783","","","","","","1.108","","","","has coordinates,has disorder","257613","2020-10-21","18:00:00",""
"7240808","6.8488","0.0011","11.665","0.002","15.489","0.002","90","","95.319","0.014","90","","1232.1","0.3","123","","123","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H8 F8 O2 -","- C12 H8 F8 O2 -","- C48 H32 F32 O8 -","4","0.5","","Cui, Luxia; Ono, Toshikazu; Hossain, Md. Jakir; Hisaeda, Yoshio","Electrochemically driven, cobalt‒carbon bond-mediated direct intramolecular cyclic and acyclic perfluoroalkylation of (hetero)arenes using X(CF2)4X","RSC Advances","2020","10","42","24862","24866","10.1039/D0RA05295G","","x-ray","0.71073","MoKα","","0.0912","0.0526","","","0.132","0.1383","","","","","","0.84","","","","has coordinates","258027","2020-10-21","18:00:00",""
"7240809","17.003","0.003","7.634","0.001","19.904","0.003","90","","98.327","0.013","90","","2556.3","0.7","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 F8 O S -","- C12 H8 F8 O S -","- C96 H64 F64 O8 S8 -","8","2","","Cui, Luxia; Ono, Toshikazu; Hossain, Md. Jakir; Hisaeda, Yoshio","Electrochemically driven, cobalt‒carbon bond-mediated direct intramolecular cyclic and acyclic perfluoroalkylation of (hetero)arenes using X(CF2)4X","RSC Advances","2020","10","42","24862","24866","10.1039/D0RA05295G","","x-ray","0.71073","MoKα","","0.1661","0.0748","","","0.184","0.244","","","","","","0.951","","","","has coordinates","258027","2020-10-21","18:00:00",""
"7240810","13.1069","0.0009","6.8506","0.0006","13.7875","0.0012","90","","90","","90","","1237.98","0.17","123","","123","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H7 F8 N -","- C13 H7 F8 N -","- C52 H28 F32 N4 -","4","0.5","","Cui, Luxia; Ono, Toshikazu; Hossain, Md. Jakir; Hisaeda, Yoshio","Electrochemically driven, cobalt‒carbon bond-mediated direct intramolecular cyclic and acyclic perfluoroalkylation of (hetero)arenes using X(CF2)4X","RSC Advances","2020","10","42","24862","24866","10.1039/D0RA05295G","","x-ray","0.71073","MoKα","","0.0426","0.0313","","","0.084","0.0924","","","","","","1.054","","","","has coordinates,has disorder","258027","2020-10-21","18:00:00",""
"7240811","9.7335","0.0007","19.26","0.002","15.5646","0.0018","90","","94.317","0.008","90","","2909.6","0.5","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 F8 O2 -","- C14 H12 F8 O2 -","- C112 H96 F64 O16 -","8","2","","Cui, Luxia; Ono, Toshikazu; Hossain, Md. Jakir; Hisaeda, Yoshio","Electrochemically driven, cobalt‒carbon bond-mediated direct intramolecular cyclic and acyclic perfluoroalkylation of (hetero)arenes using X(CF2)4X","RSC Advances","2020","10","42","24862","24866","10.1039/D0RA05295G","","x-ray","0.71073","MoKα","","0.1008","0.0611","","","0.1519","0.1851","","","","","","1.041","","","","has coordinates","258027","2020-10-21","18:00:00",""
"7240812","7.6","","17.754","","11.242","","90","","91.42","","90","","1516.42","","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H11 Br N2 O3 -","- C18 H11 Br N2 O3 -","- C72 H44 Br4 N8 O12 -","4","1","","Li, Jian; Zhu, Shang-Rong; Xu, Yue; Lu, Xue-Chen; Wang, Zheng-Bing; Liu, Li; Xu, De-feng","Synthesis of 2,5-diaryloxazoles through rhodium-catalyzed annulation of triazoles and aldehydes","RSC Advances","2020","10","42","24795","24799","10.1039/D0RA03966G","","","1.34138","GaKα","","0.0596","0.0552","","","0.1566","0.1622","","","","","","1.084","","","","has coordinates","258026","2020-10-21","18:00:00",""
"7240813","3.7755","0.00019","13.5798","0.0007","28.5543","0.0014","89.503","0.004","88.612","0.004","86.402","0.004","1460.64","0.13","295","1","295","1","","","","","","","","5","P 1","P 1","1","","2-Chloro-4-nitroaniline","","- C6 H5 Cl N2 O2 -","- C6 H5 Cl N2 O2 -","- C48 H40 Cl8 N16 O16 -","8","8","","Medviediev, Volodymyr; Shishkina, Svitlana V.; Ribalka, Andrii; Zaręba, Jan Kazimierz; Drozd, Marek; Daszkiewicz, Marek","Revisiting 2-chloro-4-nitroaniline: analysis of intricate supramolecular ordering of a triclinic polymorph featuring high Z value and strong second harmonic generation","CrystEngComm","2020","","","","","10.1039/D0CE00582G","","x-ray","0.71073","MoKα","","0.1238","0.0773","","","0.169","0.1877","","","","","","1.05","","","","has coordinates","253647","2020-10-21","18:00:00",""
"7240814","4.352","0.0008","10.59","0.002","14.532","0.003","90","","98.269","0.002","90","","662.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 F2 N O -","- C7 H5 F2 N O -","- C28 H20 F8 N4 O4 -","4","1","","Jiang, Xiaolin; Huang, Zijun; Makha, Mohamed; Du, Chen-Xia; Zhao, Dongmei; Wang, Fang; Li, Yuehui","Tetracoordinate borates as catalysts for reductive formylation of amines with carbon dioxide","Green Chemistry","2020","22","16","5317","5324","10.1039/D0GC01741H","","","0.71073","MoKα","","0.0474","0.0407","","","0.1345","0.1444","","","","","","0.999","","","","has coordinates","257602","2020-10-21","18:00:00",""
"7240815","10.004","0.006","4.688","0.003","11.919","0.007","90","","93.2393","0.001","90","","558.1","0.6","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(2-Hydroxy-4-chlorobenzylidene)-4-chloroaniline","N-(4?-chlorosalicylidene)-4-chloroaniline","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C26 H18 Cl4 N2 O2 -","2","0.5","","Zhang, Zaixiang; SUZUKI, Masahiro; YANG, Yu; Yoshikawa, Isao; Yin, Qiuxiang; Houjou, Hirohiko","Seed-triggered solid-to-solid transformation between color polymorphs: Striking differences between quasi-isomorphous crystals of dichloro-substituted salicylideneaniline regioisomers","CrystEngComm","2020","","","","","10.1039/D0CE00679C","","","0.71075","MoKα","","0.0576","0.0504","","","0.1187","0.1208","","","","","","1.265","","","","has coordinates,has disorder","253704","2020-10-21","18:00:00",""
"7240816","6.14","0.005","6.848","0.006","27.39","0.02","90","","95.26","0.02","90","","1146.8","1.6","93","2","93","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","N-(2-Hydroxy-4-chlorobenzylidene)-4-chloroaniline","N-(4?-chlorosalicylidene)-4-chloroaniline","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","0.5","","Zhang, Zaixiang; SUZUKI, Masahiro; YANG, Yu; Yoshikawa, Isao; Yin, Qiuxiang; Houjou, Hirohiko","Seed-triggered solid-to-solid transformation between color polymorphs: Striking differences between quasi-isomorphous crystals of dichloro-substituted salicylideneaniline regioisomers","CrystEngComm","2020","","","","","10.1039/D0CE00679C","","","0.71075","MoKα","","0.0518","0.0447","","","0.0967","0.1002","","","","","","1.113","","","","has coordinates,has disorder","253704","2020-10-21","18:00:00",""
"7240817","20.427","0.006","4.5728","0.0013","12.101","0.004","90","","92.301","0.005","90","","1129.4","0.6","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(2-Hydroxy-5-chlorobenzylidene)-4-chloroaniline","N-(5?-chlorosalicylidene)-4-chloroaniline","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","1","","Zhang, Zaixiang; SUZUKI, Masahiro; YANG, Yu; Yoshikawa, Isao; Yin, Qiuxiang; Houjou, Hirohiko","Seed-triggered solid-to-solid transformation between color polymorphs: Striking differences between quasi-isomorphous crystals of dichloro-substituted salicylideneaniline regioisomers","CrystEngComm","2020","","","","","10.1039/D0CE00679C","","","0.71075","MoKα","","0.0395","0.0333","","","0.0774","0.083","","","","","","1.072","","","","has coordinates","253704","2020-10-21","18:00:00",""
"7240818","5.1775","0.0007","17.585","0.002","16.534","0.002","90","","95.783","0.002","90","","1497.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","dicyclohexylammonium formate hydrate","","","- C13 H29 N O4 -","- C13 H29 N O4 -","- C52 H116 N4 O16 -","4","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.0693","0.0555","","","0.1317","0.1397","","","","","","1.063","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240819","5.5919","0.001","10.782","0.002","15.271","0.003","93.444","0.003","93.522","0.003","94.507","0.003","914.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","dicyclohexylammonium phenylacetate","","","- C20 H31 N O2 -","- C20 H31 N O2 -","- C40 H62 N2 O4 -","2","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.0534","0.0432","","","0.1076","0.1166","","","","","","1.058","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240820","19.216","0.003","8.1118","0.0009","16.8987","0.0019","90","","94.372","0.004","90","","2626.4","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","dicyclohexylammonium formate","","","- C13 H25 N O2 -","- C13 H25 N O2 -","- C104 H200 N8 O16 -","8","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.0553","0.046","","","0.1201","0.1266","","","","","","1.026","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240821","5.727","0.0007","9.4987","0.0012","10.431","0.0013","95.286","0.002","90.783","0.002","103.644","0.002","548.71","0.12","100","2","100","2","","","","","","","","4","P 1","P 1","1","dicyclohexylammonium diphenylacetete","","","- C26 H35 N O2 -","- C26 H35 N O2 -","- C26 H35 N O2 -","1","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.0464","0.044","","","0.1161","0.1188","","","","","","0.952","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240822","21.61","0.003","8.5291","0.0011","21.825","0.003","90","","90","","90","","4022.6","0.9","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","dibutylammonium diphenylacetate","","","- C22 H31 N O2 -","- C22 H31 N O2 -","- C176 H248 N8 O16 -","8","2","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.1038","0.0745","","","0.1342","0.1464","","","","","","1.057","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240823","8.557","0.0014","9.8287","0.0016","12.292","0.002","77.147","0.003","75.054","0.003","83.311","0.003","971.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","dihexylammonium phenylacetate","","","- C20 H35 N O2 -","- C20 H35 N O2 -","- C40 H70 N2 O4 -","2","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.0865","0.062","","","0.1324","0.1426","","","","","","1.09","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240824","8.3067","0.0007","16.4097","0.0013","11.4319","0.0009","90","","96.388","0.001","90","","1548.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","diethylammonium diphenylacetate","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.0537","0.0463","","","0.1098","0.1147","","","","","","1.032","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240825","9.7066","0.0006","8.1806","0.0004","10.371","0.0006","90","","114.199","0.007","90","","751.15","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H20 Cu N4 O6 -","- C11 H20 Cu N4 O6 -","- C22 H40 Cu2 N8 O12 -","2","1","","Smokrovic, Kristina; Đilović, Ivica; Matkovic-Calogovic, Dubravka","The affinity of copper(II) ions towards L-amino acids in the solid-state: a simple route towards mixed complexes","CrystEngComm","2020","","","","","10.1039/D0CE00687D","","x-ray","0.71073","MoKα","","0.0403","0.0334","","","0.0781","0.0815","","","","","","1.027","","","","has coordinates,has disorder","253706","2020-10-21","18:00:00",""
"7240826","10.5754","0.0005","14.0285","0.0007","14.1291","0.0009","106.091","0.002","98.004","0.002","106.36","0.0017","1878.03","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H53 Au N P S -","- C44 H53 Au N P S -","- C88 H106 Au2 N2 P2 S2 -","2","1","","Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G.","Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties.","Physical chemistry chemical physics : PCCP","2020","22","21","11915","11927","10.1039/d0cp01539c","","","0.71073","MoKα","","0.055","0.034","","","0.0686","0.0737","","","","","","1.04","","","","has coordinates","253764","2020-10-21","18:00:00",""
"7240827","8.7524","0.0004","13.692","0.0006","16.4993","0.0008","114.397","0.0015","90.4473","0.0018","103.778","0.0016","1736.22","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H35 Au N P S -","- C44 H35 Au N P S -","- C88 H70 Au2 N2 P2 S2 -","2","1","","Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G.","Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties.","Physical chemistry chemical physics : PCCP","2020","22","21","11915","11927","10.1039/d0cp01539c","","","0.71073","MoKα","","0.0552","0.0316","","","0.052","0.0575","","","","","","1.015","","","","has coordinates","253764","2020-10-21","18:00:00",""
"7240828","15.0586","0.0005","17.686","0.0007","19.2675","0.0008","90","","90","","90","","5131.4","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53.78 H57.57 Au Cl1.57 N3 S -","- C53.784 H57.568 Au Cl1.568 N3 S -","- C215.136 H230.272 Au4 Cl6.272 N12 S4 -","4","1","","Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G.","Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties.","Physical chemistry chemical physics : PCCP","2020","22","21","11915","11927","10.1039/d0cp01539c","","","0.71073","MoKα","","0.0614","0.0321","","","0.0517","0.0565","","","","","","0.951","","","","has coordinates,has disorder","253764","2020-10-21","18:00:00",""
"7240829","14.5204","0.0011","18.1195","0.0013","26.172","0.0019","90","","104.071","0.001","90","","6679.3","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C122 H96 Eu6 N22 O42 -","- C114 H84 Eu6 N18 O42 -","- C228 H168 Eu12 N36 O84 -","2","0.5","","Sun, Ou; Chen, Peng; Li, Hongfeng; Gao, Ting; Yan, Pengfei","Wheel-like {Ln6} luminescent lanthanide complexes covering visible and near-infrared domains","CrystEngComm","2020","","","","","10.1039/D0CE00652A","","","0.71073","MoKα","","0.0557","0.0354","","","0.0757","0.0838","","","","","","1.077","","","","has coordinates,has disorder","254043","2020-10-21","18:00:00",""
"7240830","26.836","0.008","16.005","0.004","19.919","0.01","90","","128.163","0.006","90","","6727","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H73 N5 Ni3 O31 -","- C54 H58 N4 Ni3 O24 -","- C216 H232 N16 Ni12 O96 -","4","0.5","","Yang, Dong-Dong; Lu, Liping; Zhu, Miaoli","Structural Diversity, Magnetic Properties, or Luminescent Sensing Based Ni(II)/Zn(II) Coordination Polymers of the semirigid ligand of 3,3'-((5-car-boxy-1,3-phe-nylene)bis(oxy))diben¬zate","CrystEngComm","2020","","","","","10.1039/C9CE01998G","","","0.71073","MoKα","","0.1003","0.0569","","","0.1347","0.154","","","","","","1.019","","","","has coordinates","254044","2020-10-21","18:00:00",""
"7240831","10.0734","0.0003","10.7439","0.0003","13.9706","0.0004","80.34","0.001","79.996","0.001","64.717","0.001","1338.92","0.07","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H44 N4 O18 Zn2 -","- C62 H44 N4 O18 Zn2 -","- C62 H44 N4 O18 Zn2 -","1","0.5","","Yang, Dong-Dong; Lu, Liping; Zhu, Miaoli","Structural Diversity, Magnetic Properties, or Luminescent Sensing Based Ni(II)/Zn(II) Coordination Polymers of the semirigid ligand of 3,3'-((5-car-boxy-1,3-phe-nylene)bis(oxy))diben¬zate","CrystEngComm","2020","","","","","10.1039/C9CE01998G","","","0.71073","MoKα","","0.0792","0.0485","","","0.0878","0.1039","","","","","","1.066","","","","has coordinates","254044","2020-10-21","18:00:00",""
"7240832","26.833","0.003","16.349","0.0018","20.321","0.002","90","","130.554","0.003","90","","6773.3","1.3","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H77 N5 O34 Zn3 -","- C54 H58 N4 O24 Zn3 -","- C216 H232 N16 O96 Zn12 -","4","0.5","","Yang, Dong-Dong; Lu, Liping; Zhu, Miaoli","Structural Diversity, Magnetic Properties, or Luminescent Sensing Based Ni(II)/Zn(II) Coordination Polymers of the semirigid ligand of 3,3'-((5-car-boxy-1,3-phe-nylene)bis(oxy))diben¬zate","CrystEngComm","2020","","","","","10.1039/C9CE01998G","","","0.71073","MoKα","","0.1082","0.0761","","","0.249","0.2794","","","","","","1.048","","","","has coordinates","254044","2020-10-21","18:00:00",""
"7240833","13.466","0.0006","13.607","0.0006","13.7158","0.0006","97.812","0.002","103.166","0.002","94.058","0.002","2410.88","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H83 N21 Ni3 O19 -","- C105 H83 N21 Ni3 O19 -","- C105 H83 N21 Ni3 O19 -","1","0.5","","Yang, Dong-Dong; Lu, Liping; Zhu, Miaoli","Structural Diversity, Magnetic Properties, or Luminescent Sensing Based Ni(II)/Zn(II) Coordination Polymers of the semirigid ligand of 3,3'-((5-car-boxy-1,3-phe-nylene)bis(oxy))diben¬zate","CrystEngComm","2020","","","","","10.1039/C9CE01998G","","","0.71073","MoKα","","0.0996","0.0577","","","0.1301","0.1517","","","","","","1.016","","","","has coordinates","254044","2020-10-21","18:00:00",""
"7240834","7.2212","0.0002","10.9597","0.0003","13.4202","0.0003","104.412","0.002","99.253","0.002","108.517","0.002","941.58","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 F3 N5 O4 -","- C19 H18 F3 N5 O4 -","- C38 H36 F6 N10 O8 -","2","1","","Junaid, Ahmad; Lim, Felicia Phei Lin; Tiekink, Edward R. T.; Dolzhenko, Anton V.","Design, synthesis, and biological evaluation of new 6,N2-diaryl-1,3,5-triazine-2,4-diamines as anticancer agents selectively targeting triple negative breast cancer cells","RSC Advances","2020","10","43","25517","25528","10.1039/D0RA04970K","","","1.54184","CuKα","","0.0629","0.0591","","","0.1719","0.1764","","","","","","1.049","","","","has coordinates","258019","2020-10-21","18:00:00",""
"7240835","9.6034","0.0019","16.434","0.003","15.873","0.003","90","","97.27","0.03","90","","2485","0.8","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N3 O7 Zn -","- C28 H21 N3 O7 Zn -","- C112 H84 N12 O28 Zn4 -","4","1","","Wang, Yi-Jun; Wang, Shen-Yu; Zhang, Yue; Xia, Bin; Li, Quan-Wen; Wang, Qing-Lun; Ma, Yue","Two zinc coordination polymers with photochromic behaviors and photo-controlled luminescence property","CrystEngComm","2020","","","","","10.1039/D0CE00725K","","","0.71073","MoKα","","0.0749","0.054","","","0.1225","0.1362","","","","","","1.038","","","","has coordinates","254099","2020-10-21","18:00:00",""
"7240836","42.333","0.009","9.3912","0.0019","18.577","0.004","90","","113.69","0.03","90","","6763","3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N4.5 O10.5 Zn1.5 -","- C32 H30 N4.5 O10.5 Zn1.5 -","- C256 H240 N36 O84 Zn12 -","8","1","","Wang, Yi-Jun; Wang, Shen-Yu; Zhang, Yue; Xia, Bin; Li, Quan-Wen; Wang, Qing-Lun; Ma, Yue","Two zinc coordination polymers with photochromic behaviors and photo-controlled luminescence property","CrystEngComm","2020","","","","","10.1039/D0CE00725K","","","0.71073","MoKα","","0.0719","0.0554","","","0.1333","0.1438","","","","","","1.051","","","","has coordinates,has disorder","254099","2020-10-21","18:00:00",""
"7240837","21.633","0.015","12.456","0.009","19.74","0.014","90","","105.3","0.015","90","","5131","6","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 N24 O15 -","- C12 N24 O15 -","- C96 N192 O120 -","8","1","","Zelenov, Victor P.; Baraboshkin, Nikita M.; Khakimov, Dmitry V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Troyan, Ivan A.; Pivina, Tatyana S.; Dzyabchenko, Alexandr V.; Fedyanin, Ivan V.","Time for quartet: the stable 3 : 1 cocrystal formulation of FTDO and BTF ‒ a high-energy-density material","CrystEngComm","2020","","","","","10.1039/D0CE00639D","","","0.71073","MoKα","","0.0902","0.0414","","","0.088","0.1093","","","","","","1.012","","","","has coordinates,has disorder","254165","2020-10-21","18:00:00",""
"7240838","21.326","0.003","12.351","0.002","19.529","0.003","90","","105.919","0.003","90","","4946.6","1.3","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 N24 O15 -","- C12 N24 O15 -","- C96 N192 O120 -","8","1","","Zelenov, Victor P.; Baraboshkin, Nikita M.; Khakimov, Dmitry V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Troyan, Ivan A.; Pivina, Tatyana S.; Dzyabchenko, Alexandr V.; Fedyanin, Ivan V.","Time for quartet: the stable 3 : 1 cocrystal formulation of FTDO and BTF ‒ a high-energy-density material","CrystEngComm","2020","","","","","10.1039/D0CE00639D","","","0.71073","MoKα","","0.0497","0.0373","","","0.0873","0.0935","","","","","","1.048","","","","has coordinates,has disorder","254165","2020-10-21","18:00:00",""
"7240839","10.3003","0.0011","10.3003","0.0011","10.3003","0.0011","90","","90","","90","","1092.8","0.2","296","2","296","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Hf K2 O12 P3 Tb -","- Hf K2 O12 P3 Tb -","- Hf4 K8 O48 P12 Tb4 -","4","0.333333","","Zhao, Dan; Zhang, Shi-Rui; Zhang, Rui-Juan; Fan, Yan-Ping; Liu, Bao-Zhong; Shi, Lin-Ying","Energy transfer, multi-colour emission and high thermal stability behaviour of K2Tb1−xEuxHf(PO4)3 with langbeinite-type structure","CrystEngComm","2020","","","","","10.1039/D0CE00322K","","","0.71073","MoKα","","0.0407","0.0345","","","0.0629","0.0658","","","","","","1.056","","","","has coordinates","254166","2020-10-21","18:00:00",""
"7240840","8.6898","0.001","11.1725","0.0011","12.0639","0.0013","76.082","0.004","73.273","0.004","77.314","0.004","1074.4","0.2","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 F5 N2 O -","- C25 H21 F5 N2 O -","- C50 H42 F10 N4 O2 -","2","1","","Bao, Kun; Wei, Jun; Yan, Huihui; Sheng, Rong","Visible-light promoted three-component tandem reaction to synthesize difluoromethylated oxazolidin-2-imine","RSC Advances","2020","10","43","25947","25951","10.1039/D0RA04729E","","","0.71073","MoKα","","0.0821","0.0663","","","0.1787","0.1915","","","","","","1.073","","","","has coordinates","258018","2020-10-21","18:00:00",""
"7240841","7.1583","0.0014","8.352","0.0017","15.356","0.003","81.1","0.03","82.92","0.03","78.62","0.03","885.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Cl2 N3 O6 -","- C17 H15 Cl2 N3 O6 -","- C34 H30 Cl4 N6 O12 -","2","1","","Lemport, Pavel S.; Matveev, Petr I.; Yatsenko, Alexander V.; Evsiunina, Mariia V.; Petrov, Valentine S.; Tarasevich, Boris N.; Roznyatovsky, Vitaly A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Zhokhov, Sergey S.; Solov'ev, Vitaly P.; Aslanov, Leonid A.; Petrov, Vladimir G.; Kalmykov, Stepan N.; Nenajdenko, Valentine G.; Ustyniuk, Yuri A.","The impact of alicyclic substituents on the extraction ability of new family of 1,10-phenanthroline-2,9-diamides","RSC Advances","2020","10","44","26022","26033","10.1039/D0RA05182A","","","0.7879","synchrotron","","0.0335","0.0313","","","0.0871","0.0888","","","","","","1.073","","","","has coordinates","257978","2020-10-21","18:00:00",""
"7240842","7.7488","0.0003","10.1002","0.0004","13.578","0.0005","79.974","0.003","76.276","0.003","83.821","0.003","1014.12","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,10-phenantroline-4,7-dichloro-2,9-diylbis(pirrolidin-1-yl-methanone)","","- C22 H20 Cl2 N4 O2 -","- C22 H20 Cl2 N4 O2 -","- C44 H40 Cl4 N8 O4 -","2","1","","Lemport, Pavel S.; Matveev, Petr I.; Yatsenko, Alexander V.; Evsiunina, Mariia V.; Petrov, Valentine S.; Tarasevich, Boris N.; Roznyatovsky, Vitaly A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Zhokhov, Sergey S.; Solov'ev, Vitaly P.; Aslanov, Leonid A.; Petrov, Vladimir G.; Kalmykov, Stepan N.; Nenajdenko, Valentine G.; Ustyniuk, Yuri A.","The impact of alicyclic substituents on the extraction ability of new family of 1,10-phenanthroline-2,9-diamides","RSC Advances","2020","10","44","26022","26033","10.1039/D0RA05182A","","","1.54186","CuKα","","0.0603","0.0432","","","0.1222","0.1295","","","","","","1.025","","","","has coordinates,has disorder","257978","2020-10-21","18:00:00",""
"7240843","36.3267","0.0015","6.8415","0.0002","22.188","0.0011","90","","122.928","0.003","90","","4628.5","0.4","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,10-phenantroline-4,7-dichloro-2,9-diylbis(piperidin-1-yl-methanone)","","- C24 H26 Cl2 N4 O3 -","- C24 H24 Cl2 N4 O3 -","- C192 H192 Cl16 N32 O24 -","8","1","","Lemport, Pavel S.; Matveev, Petr I.; Yatsenko, Alexander V.; Evsiunina, Mariia V.; Petrov, Valentine S.; Tarasevich, Boris N.; Roznyatovsky, Vitaly A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Zhokhov, Sergey S.; Solov'ev, Vitaly P.; Aslanov, Leonid A.; Petrov, Vladimir G.; Kalmykov, Stepan N.; Nenajdenko, Valentine G.; Ustyniuk, Yuri A.","The impact of alicyclic substituents on the extraction ability of new family of 1,10-phenanthroline-2,9-diamides","RSC Advances","2020","10","44","26022","26033","10.1039/D0RA05182A","","","1.54186","CuKα","","0.0992","0.0362","","","0.0591","0.0721","","","","","","0.846","","","","has coordinates","257978","2020-10-21","18:00:00",""
"7240844","7.241","0.0014","11.68","0.002","14.506","0.003","103.259","0.014","95.03","0.002","97.662","0.018","1174.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 Cl2 N4 O2 -","- C30 H20 Cl2 N4 O2 -","- C60 H40 Cl4 N8 O4 -","2","1","","Lemport, Pavel S.; Matveev, Petr I.; Yatsenko, Alexander V.; Evsiunina, Mariia V.; Petrov, Valentine S.; Tarasevich, Boris N.; Roznyatovsky, Vitaly A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Zhokhov, Sergey S.; Solov'ev, Vitaly P.; Aslanov, Leonid A.; Petrov, Vladimir G.; Kalmykov, Stepan N.; Nenajdenko, Valentine G.; Ustyniuk, Yuri A.","The impact of alicyclic substituents on the extraction ability of new family of 1,10-phenanthroline-2,9-diamides","RSC Advances","2020","10","44","26022","26033","10.1039/D0RA05182A","","","0.79272","synchrotron","","0.0796","0.0593","","","0.14","0.1531","","","","","","1.021","","","","has coordinates","257978","2020-10-21","18:00:00",""
"7240845","16.609","0.005","16.984","0.005","13.707","0.004","90","","110.014","0.005","90","","3633.1","1.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 Cu2 N4 O16 -","- C28 H42 Cu2 N4 O16 -","- C112 H168 Cu8 N16 O64 -","4","1","","Zhang, Jian; Chen, Yang-Yang; Tan, Chunhong; Ma, Xiao; Wang, Xiao-Feng; Ou, Guang Chuan","Hydrogen-bonding Tuned Hydroxo-bridged Tetra-copper Cu4(bipy)4-cluster Supramolecular Network to Layer Coordination Polymer","CrystEngComm","2020","","","","","10.1039/D0CE00985G","","","0.71073","MoKα","","0.0865","0.0753","","","0.2505","0.2668","","","","","","1.156","","","","has coordinates","254261","2020-10-21","18:00:00",""
"7240846","14.6945","0.0017","17.218","0.002","25.968","0.003","90","","94.777","0.004","90","","6547.3","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H72 Cu4 N8 O26 -","- C56 H72 Cu4 N8 O26 -","- C224 H288 Cu16 N32 O104 -","4","1","","Zhang, Jian; Chen, Yang-Yang; Tan, Chunhong; Ma, Xiao; Wang, Xiao-Feng; Ou, Guang Chuan","Hydrogen-bonding Tuned Hydroxo-bridged Tetra-copper Cu4(bipy)4-cluster Supramolecular Network to Layer Coordination Polymer","CrystEngComm","2020","","","","","10.1039/D0CE00985G","","","0.71073","MoKα","","0.0882","0.0481","","","0.1011","0.1142","","","","","","1.042","","","","has coordinates","254261","2020-10-21","18:00:00",""
"7240847","9.0471","0.0007","12.6873","0.0009","13.3662","0.0009","89.49","0.003","73.453","0.003","75.303","0.003","1419.24","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H60 Cu4 N8 O20 -","- C56 H60 Cu4 N8 O20 -","- C56 H60 Cu4 N8 O20 -","1","0.5","","Zhang, Jian; Chen, Yang-Yang; Tan, Chunhong; Ma, Xiao; Wang, Xiao-Feng; Ou, Guang Chuan","Hydrogen-bonding Tuned Hydroxo-bridged Tetra-copper Cu4(bipy)4-cluster Supramolecular Network to Layer Coordination Polymer","CrystEngComm","2020","","","","","10.1039/D0CE00985G","","","0.71073","MoKα","","0.0445","0.0321","","","0.0821","0.1016","","","","","","1.004","","","","has coordinates","254261","2020-10-21","18:00:00",""
"7240848","36.971","0.015","4.3814","0.0015","11.483","0.005","90","","106.352","0.005","90","","1784.8","1.2","273","","273","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 F6 P S6 -","- C14 H10 F6 P S6 -","- C56 H40 F24 P4 S24 -","4","0.5","","Kadoya, Tomofumi; Sugiura, Shiori; Tahara, Keishiro; Higashino, Toshiki; Kubo, Kazuya; Sasaki, Takahiko; Takimiya, Kazuo; Yamada, Jun-ichi","Two-dimensional radical-cationic Mott insulator based on an electron donor containing neither tetrathiafulvalene nor tetrathiapentalene skeleton","CrystEngComm","2020","","","","","10.1039/D0CE00878H","","","0.71075","MoKα","","0.1112","0.1069","","","0.324","0.3406","","","","","","1.615","","","","has coordinates","254262","2020-10-21","18:00:00",""
"7240849","15.2439","0.0015","11.2793","0.0006","8.4391","0.0007","90","","90.062","0.008","90","","1451","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ortho-quinones with a ?click? and a pronounced structure ‒ redox ‒ biological activity relationship.","","- C19 H13 N O2 -","- C19 H13 N O2 -","- C76 H52 N4 O8 -","4","1","","Almeida, Renata G.; Valença, Wagner O.; Rosa, Luísa G.; de Simone, Carlos A.; de Castro, Solange L.; Barbosa, Juliana M. C.; Pinheiro, Daniel P.; Paier, Carlos R. K.; de Carvalho, Guilherme G. C.; Pessoa, Claudia; Goulart, Marilia O. F.; Kharma, Ammar; da Silva Júnior, Eufrânio N.","Synthesis of quinone imine and sulphur-containing compounds with antitumor and trypanocidal activities: redox and biological implications","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00072H","","x-ray","0.71073","MoKα","","0.1882","0.0755","","","0.1872","0.2532","","","","","","1.004","","","","has coordinates","254270","2020-10-21","18:00:00",""
"7240850","16.8522","0.0014","11.2852","0.001","8.2232","0.0009","90","","91.868","0.009","90","","1563.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ortho-quinones with a ?click? and a pronounced structure ‒ redox ‒ biological activity relationship.","","- C19 H12 Br N O2 -","- C19 H12 Br N O2 -","- C76 H48 Br4 N4 O8 -","4","1","","Almeida, Renata G.; Valença, Wagner O.; Rosa, Luísa G.; de Simone, Carlos A.; de Castro, Solange L.; Barbosa, Juliana M. C.; Pinheiro, Daniel P.; Paier, Carlos R. K.; de Carvalho, Guilherme G. C.; Pessoa, Claudia; Goulart, Marilia O. F.; Kharma, Ammar; da Silva Júnior, Eufrânio N.","Synthesis of quinone imine and sulphur-containing compounds with antitumor and trypanocidal activities: redox and biological implications","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00072H","","x-ray","0.71073","MoKα","","0.2113","0.1325","","","0.3699","0.4225","","","","","","1.229","","","","has coordinates","254270","2020-10-21","18:00:00",""
"7240851","17.1059","0.0008","11.3027","0.0005","8.3987","0.0003","90","","91.703","0.004","90","","1623.11","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ortho-quinones with a ?click? and a pronounced structure ‒ redox ‒ biological activity relationship.","","- C19 H12 I N O2 -","- C19 H12 I N O2 -","- C76 H48 I4 N4 O8 -","4","1","","Almeida, Renata G.; Valença, Wagner O.; Rosa, Luísa G.; de Simone, Carlos A.; de Castro, Solange L.; Barbosa, Juliana M. C.; Pinheiro, Daniel P.; Paier, Carlos R. K.; de Carvalho, Guilherme G. C.; Pessoa, Claudia; Goulart, Marilia O. F.; Kharma, Ammar; da Silva Júnior, Eufrânio N.","Synthesis of quinone imine and sulphur-containing compounds with antitumor and trypanocidal activities: redox and biological implications","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00072H","","x-ray","0.71073","MoKα","","0.0967","0.0552","","","0.1244","0.1488","","","","","","1.025","","","","has coordinates","254270","2020-10-21","18:00:00",""
"7240852","4.1895","0.0007","11.6796","0.0019","32.919","0.005","90","","90","","90","","1610.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ortho-quinones with a ?click? and a pronounced structure ‒ redox ‒ biological activity relationship.","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C84 H60 N4 O12 -","4","1","","Almeida, Renata G.; Valença, Wagner O.; Rosa, Luísa G.; de Simone, Carlos A.; de Castro, Solange L.; Barbosa, Juliana M. C.; Pinheiro, Daniel P.; Paier, Carlos R. K.; de Carvalho, Guilherme G. C.; Pessoa, Claudia; Goulart, Marilia O. F.; Kharma, Ammar; da Silva Júnior, Eufrânio N.","Synthesis of quinone imine and sulphur-containing compounds with antitumor and trypanocidal activities: redox and biological implications","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00072H","","","0.71073","MoKα","","0.054","0.0447","","","0.1135","0.1191","","","","","","1.067","","","","has coordinates","254270","2020-10-21","18:00:00",""
"7240853","12.4338","0.0017","7.7886","0.0011","15.693","0.002","90","","92.992","0.005","90","","1517.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ortho-quinones with a ?click? and a pronounced structure ‒ redox ‒ biological activity relationship.","","- C19 H12 F N O2 -","- C19 H12 F N O2 -","- C76 H48 F4 N4 O8 -","4","1","","Almeida, Renata G.; Valença, Wagner O.; Rosa, Luísa G.; de Simone, Carlos A.; de Castro, Solange L.; Barbosa, Juliana M. C.; Pinheiro, Daniel P.; Paier, Carlos R. K.; de Carvalho, Guilherme G. C.; Pessoa, Claudia; Goulart, Marilia O. F.; Kharma, Ammar; da Silva Júnior, Eufrânio N.","Synthesis of quinone imine and sulphur-containing compounds with antitumor and trypanocidal activities: redox and biological implications","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00072H","","","0.71073","MoKα","","0.0639","0.0476","","","0.1416","0.1542","","","","","","1.212","","","","has coordinates","254270","2020-10-21","18:00:00",""
"7240854","6.9084","0.0004","9.133","0.0005","10.977","0.0004","87.642","0.004","83.261","0.004","88.355","0.004","687.02","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ortho-quinones with a ?click? and a pronounced structure ‒ redox ‒ biological activity relationship.","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C34 H24 O6 S2 -","2","1","","Almeida, Renata G.; Valença, Wagner O.; Rosa, Luísa G.; de Simone, Carlos A.; de Castro, Solange L.; Barbosa, Juliana M. C.; Pinheiro, Daniel P.; Paier, Carlos R. K.; de Carvalho, Guilherme G. C.; Pessoa, Claudia; Goulart, Marilia O. F.; Kharma, Ammar; da Silva Júnior, Eufrânio N.","Synthesis of quinone imine and sulphur-containing compounds with antitumor and trypanocidal activities: redox and biological implications","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00072H","","x-ray","0.71073","MoKα","","0.0779","0.0441","","","0.119","0.1395","","","","","","1.028","","","","has coordinates","254270","2020-10-21","18:00:00",""
"7240855","7.5565","0.0003","17.8342","0.0007","26.0523","0.001","95.305","0.0016","90.3264","0.0016","97.8043","0.0017","3462.9","0.2","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C41 H23 F12 Mn N4 O2 -","- C41 H23 F12 Mn N4 O2 -","- C164 H92 F48 Mn4 N16 O8 -","4","2","","Kappler-Gratias, Sandrine; Bucher, Léo; Desbois, Nicolas; Rousselin, Yoann; Bystricky, Kerstin; Gros, Claude P.; Gallardo, Franck","A3- and A2B-fluorocorroles: synthesis, X-ray characterization and antiviral activity evaluation against human cytomegalovirus infection","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00127A","","x-ray","1.54178","CuKα","","0.0629","0.0523","","","0.1295","0.1367","","","","","","1.028","","","","has coordinates","254271","2020-10-21","18:00:00",""
"7240856","7.609","0.0003","18.3265","0.0007","25.6198","0.001","94.1124","0.0012","90.7528","0.0012","96.7722","0.0012","3537.7","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C41 H24 F14 N4 O2 -","- C41 H24 F14 N4 O2 -","- C164 H96 F56 N16 O8 -","4","2","","Kappler-Gratias, Sandrine; Bucher, Léo; Desbois, Nicolas; Rousselin, Yoann; Bystricky, Kerstin; Gros, Claude P.; Gallardo, Franck","A3- and A2B-fluorocorroles: synthesis, X-ray characterization and antiviral activity evaluation against human cytomegalovirus infection","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00127A","","x-ray","1.54178","CuKα","","0.0407","0.0361","","","0.091","0.0945","","","","","","1.038","","","","has coordinates","254271","2020-10-21","18:00:00",""
"7240857","20.6155","0.0009","7.3748","0.0003","24.8188","0.0011","90","","91.5372","0.0016","90","","3772","0.3","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H30 F12 N6 O -","- C43 H30 F12 N6 O -","- C172 H120 F48 N24 O4 -","4","1","","Kappler-Gratias, Sandrine; Bucher, Léo; Desbois, Nicolas; Rousselin, Yoann; Bystricky, Kerstin; Gros, Claude P.; Gallardo, Franck","A3- and A2B-fluorocorroles: synthesis, X-ray characterization and antiviral activity evaluation against human cytomegalovirus infection","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00127A","","x-ray","1.54178","CuKα","","0.0491","0.0439","","","0.1161","0.121","","","","","","1.031","","","","has coordinates","254271","2020-10-21","18:00:00",""
"7240858","15.9471","0.0007","7.3379","0.0003","29.92","0.0012","90","","104.587","0.0014","90","","3388.3","0.2","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H21 F13 N4 O2 -","- C39 H21 F13 N4 O2 -","- C156 H84 F52 N16 O8 -","4","1","","Kappler-Gratias, Sandrine; Bucher, Léo; Desbois, Nicolas; Rousselin, Yoann; Bystricky, Kerstin; Gros, Claude P.; Gallardo, Franck","A3- and A2B-fluorocorroles: synthesis, X-ray characterization and antiviral activity evaluation against human cytomegalovirus infection","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00127A","","x-ray","1.54178","CuKα","","0.056","0.0525","","","0.1404","0.1431","","","","","","1.117","","","","has coordinates","254271","2020-10-21","18:00:00",""
"7240859","7.3448","0.0002","15.9784","0.0005","28.5025","0.0009","104.448","0.002","91.342","0.002","93.085","0.002","3232.17","0.17","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H24 F9 N5 O2 -","- C38 H24 F9 N5 O2 -","- C152 H96 F36 N20 O8 -","4","2","","Kappler-Gratias, Sandrine; Bucher, Léo; Desbois, Nicolas; Rousselin, Yoann; Bystricky, Kerstin; Gros, Claude P.; Gallardo, Franck","A3- and A2B-fluorocorroles: synthesis, X-ray characterization and antiviral activity evaluation against human cytomegalovirus infection","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00127A","","x-ray","1.54178","CuKα","","0.0925","0.0681","","","0.1248","0.1357","","","","","","1.068","","","","has coordinates,has disorder","254271","2020-10-21","18:00:00",""
"7240860","36.02","0.002","7.848","0.0005","27.7092","0.0017","90","","116.811","0.003","90","","6990.9","0.8","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H25 F12 N5 O -","- C41 H25 F12 N5 O -","- C328 H200 F96 N40 O8 -","8","1","","Kappler-Gratias, Sandrine; Bucher, Léo; Desbois, Nicolas; Rousselin, Yoann; Bystricky, Kerstin; Gros, Claude P.; Gallardo, Franck","A3- and A2B-fluorocorroles: synthesis, X-ray characterization and antiviral activity evaluation against human cytomegalovirus infection","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00127A","","x-ray","1.54178","CuKα","","0.0497","0.0417","","","0.0967","0.1008","","","","","","1.061","","","","has coordinates","254271","2020-10-21","18:00:00",""
"7240861","10.3837","0.0018","11.2946","0.0019","15.743","0.003","88.521","0.003","89.943","0.003","68.863","0.003","1721.5","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H35 Cl N6 O9 S2 -","- C29 H35 Cl N6 O9 S2 -","- C58 H70 Cl2 N12 O18 S4 -","2","1","","Das, Amitava; Dey, Ananta; Maity, Arunava; Singha Mahapatra, Tufan; Suresh, Eringathodi; Mandal, Amal Kumar","Tuneable Hierarchical Self-Assembly of C3-Symmetric Triaminoguanidium-derivative into Rhombic Dodecahedral Morphology","CrystEngComm","2020","","","","","10.1039/D0CE00909A","","","0.71073","MoKα","","0.0909","0.0634","","","0.1434","0.1578","","","","","","1.034","","","","has coordinates","254295","2020-10-21","18:00:00",""
"7240862","12.625","0.002","32.16","0.006","9.2409","0.0017","90","","95.599","0.004","90","","3734.1","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 Cl N9 O9 -","- C34 H42 Cl N9 O9 -","- C136 H168 Cl4 N36 O36 -","4","1","","Das, Amitava; Dey, Ananta; Maity, Arunava; Singha Mahapatra, Tufan; Suresh, Eringathodi; Mandal, Amal Kumar","Tuneable Hierarchical Self-Assembly of C3-Symmetric Triaminoguanidium-derivative into Rhombic Dodecahedral Morphology","CrystEngComm","2020","","","","","10.1039/D0CE00909A","","","0.71073","MoKα","","0.1483","0.0946","","","0.1537","0.17","","","","","","1.152","","","","has coordinates","254295","2020-10-21","18:00:00",""
"7240863","10.4389","0.0002","21.5791","0.0004","14.669","0.0003","90","","109.581","0.002","90","","3113.27","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 F6 N O2 Se -","- C13 H9 F6 N O2 Se -","- C104 H72 F48 N8 O16 Se8 -","8","2","","Lei, Yingjie; Yang, Ju; Wang, Yawen; Wang, Hongying; Zhan, Yue; Jiang, Xianxing; Xu, Zhaoqing","Metal-free fluoroalkylfluoroalkylselenolation of unactivated alkenes: incorporation of two photoinduced processes","Green Chemistry","2020","22","15","4878","4883","10.1039/C9GC03936H","","x-ray","1.54184","CuKα","","0.0685","0.0574","","","0.1539","0.1635","","","","","","1.036","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7240864","7.468","0.0002","15.0583","0.0004","11.4401","0.0003","90","","102.293","0.001","90","","1257","0.06","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CuIPyTBA_110K","","","- C9 H12 Cu I N2 O S -","- C9 H12 Cu I N2 O S -","- C36 H48 Cu4 I4 N8 O4 S4 -","4","1","","Rosendo, Paula; Perles, Josefina; Zamora, Felix; Delgado, Salome","Cu(I)-iodide coordination polymers with aromatic thioamides","CrystEngComm","2020","","","","","10.1039/D0CE00969E","","","0.71073","MoKα","","0.016","0.0149","","","0.05","0.0506","","","","","","1.29","","","","has coordinates","254328","2020-10-21","18:00:00",""
"7240865","7.5183","0.0001","15.1179","0.0002","11.7005","0.0002","90","","103.661","0.001","90","","1292.27","0.03","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CuIPyTBA","","","- C9 H12 Cu I N2 O S -","- C9 H12 Cu I N2 O S -","- C36 H48 Cu4 I4 N8 O4 S4 -","4","1","","Rosendo, Paula; Perles, Josefina; Zamora, Felix; Delgado, Salome","Cu(I)-iodide coordination polymers with aromatic thioamides","CrystEngComm","2020","","","","","10.1039/D0CE00969E","","","0.71073","MoKα","","0.0225","0.0174","","","0.0501","0.0708","","","","","","1.12","","","","has coordinates","254328","2020-10-21","18:00:00",""
"7240866","12.4001","0.0002","32.1958","0.0008","9.1787","0.0002","90","","90","","90","","3664.42","0.13","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C6 H6 Cu I N2 S -","- C6 H6 Cu I N2 S -","- C96 H96 Cu16 I16 N32 S16 -","16","1","","Rosendo, Paula; Perles, Josefina; Zamora, Felix; Delgado, Salome","Cu(I)-iodide coordination polymers with aromatic thioamides","CrystEngComm","2020","","","","","10.1039/D0CE00969E","","","0.71073","MoKα","","0.0183","0.0168","","","0.0399","0.0405","","","","","","1.001","","","","has coordinates","254328","2020-10-21","18:00:00",""
"7240867","7.4048","0.0003","15.117","0.0004","11.639","0.0005","90","","102.61","0.001","90","","1271.42","0.08","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CuIPYTBA (THF)","","","- C6 H6 Cu I N2 O0.33 S -","- C6 H6 Cu I N2 O0.3333 S -","- C24 H24 Cu4 I4 N8 O1.3332 S4 -","4","1","","Rosendo, Paula; Perles, Josefina; Zamora, Felix; Delgado, Salome","Cu(I)-iodide coordination polymers with aromatic thioamides","CrystEngComm","2020","","","","","10.1039/D0CE00969E","","","0.71073","MoKα","","0.0756","0.0494","","","0.1741","0.1939","","","","","","1.174","","","","has coordinates","254328","2020-10-21","18:00:00",""
"7240868","7.4081","0.0005","14.9049","0.0012","11.2422","0.0008","90","","101.787","0.004","90","","1215.15","0.16","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CuIPYTBA (THF)_110K","","","- C7.33 H6 Cu I N2 O0.33 S -","- C7.3323 H6 Cu I N2 O0.333 S -","- C29.3292 H24 Cu4 I4 N8 O1.332 S4 -","4","1","","Rosendo, Paula; Perles, Josefina; Zamora, Felix; Delgado, Salome","Cu(I)-iodide coordination polymers with aromatic thioamides","CrystEngComm","2020","","","","","10.1039/D0CE00969E","","","0.71073","MoKα","","0.0809","0.0515","","","0.1388","0.1548","","","","","","1.077","","","","has coordinates","254328","2020-10-21","18:00:00",""
"7240869","7.3155","0.0015","10.622","0.007","10.658","0.005","90","","90","","90","","828.2","0.7","230","2","230","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-Acetyl-L-4-hydroxyproline","Oxaceprol","","- C7 H11 N O4 -","- C7 H11 N O4 -","- C28 H44 N4 O16 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.6199","synchrotron","","0.0371","0.037","","","0.1029","0.103","","","","","","1.104","","","","has coordinates,has disorder","254329","2020-10-21","18:00:00",""
"7240870","8.211","0.0004","11.111","0.0005","15.3198","0.0007","90","","90","","90","","1397.66","0.11","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.7107","MoKα","","0.053","0.042","","","","0.053","","","","","","2.1","","","","has coordinates","288642","2024-01-03","13:53:25",""
"7240871","8.1964","0.0003","11.0921","0.0004","15.3137","0.0006","90","","90","","90","","1392.25","0.09","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.7107","MoKα","","0.053","0.041","","","","0.061","","","","","","2.136","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240872","8.2038","0.0004","11.0818","0.0006","15.3787","0.0003","90","","90","","90","","1398.12","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","1.54178","CuKα","","0.042","0.034","","","","0.03","","","","","","1.746","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240873","7.316","0.003","10.616","0.005","10.65","0.003","90","","90","","90","","827.1","0.6","215","2","215","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-Acetyl-L-4-hydroxyproline","Oxaceprol","","- C7 H11 N O4 -","- C7 H11 N O4 -","- C28 H44 N4 O16 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.6199","synchrotron","","0.0579","0.0575","","","0.1345","0.135","","","","","","1.076","","","","has coordinates,has disorder","254329","2020-10-21","18:00:00",""
"7240874","8.19","0.03","11.054","0.002","15.31","0.06","90","","90","","90","","1386","7","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.46","synchrotron","","0.034","0.028","","","","0.055","","","","","","2.353","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240875","8.2041","0.001","11.1047","0.0014","15.302","0.002","90","","90","","90","","1394.1","0.3","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.7107","MoKα","","0.066","0.036","","","","0.046","","","","","","1.581","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240876","8.217","0.0004","11.1158","0.0005","15.3418","0.0007","90","","90","","90","","1401.3","0.11","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.7107","MoKα","","0.061","0.042","","","","0.06","","","","","","1.924","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240877","8.2601","0.0014","11.1144","0.0017","15.41","0.003","90","","90","","90","","1414.7","0.4","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.7107","MoKα","","0.065","0.037","","","","0.048","","","","","","1.783","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240878","19.2433","0.0019","6.5415","0.0007","20.661","0.002","90","","108.965","0.006","90","","2459.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-2-one","","- C27 H36 N2 O0.88 -","- C27 H36 N2 O0.883 -","- C108 H144 N8 O3.532 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.71073","MoKα","","0.0686","0.0491","","","0.1192","0.1327","","","","","","1.109","","","","has coordinates,has disorder","254329","2020-10-21","18:00:00",""
"7240879","8.21","0.004","11.1142","0.0017","15.372","0.004","90","","90","","90","","1402.7","0.8","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.6358","synchrotron","","0.024","0.023","","","","0.056","","","","","","2.345","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240880","8.174","0.004","11.08","0.006","15.295","0.01","90","","90","","90","","1385.2","1.4","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.4769","synchrotron","","0.077","0.048","","","","0.084","","","","","","1.372","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240881","8.184","0.009","11.092","0.009","15.296","0.008","90","","90","","90","","1389","2","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.4769","synchrotron","","0.056","0.039","","","","0.065","","","","","","1.433","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240882","19.2069","0.001","6.5424","0.0003","20.5081","0.0012","90","","109.174","0.003","90","","2434.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-one","","- C27 H36 N2 O -","- C27 H36 N2 O -","- C108 H144 N8 O4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.71073","MoKα","","0.0615","0.0503","","","0.1148","0.1196","","","","","","1.154","","","","has coordinates","254329","2020-10-21","18:00:00",""
"7240883","7.6784","0.0003","10.7811","0.0004","9.5685","0.0004","90","","97.899","0.002","90","","784.58","0.05","170","2","169.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl (2-aminophenyl)carbamate","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C32 H32 N8 O8 -","4","1","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.0644","0.044","","","0.1169","0.1318","","","","","","1.043","","","","has coordinates","254370","2020-10-21","18:00:00",""
"7240884","5.4498","0.0009","9.1487","0.0016","15.499","0.003","90","","98.193","0.003","90","","764.9","0.2","150","2","150.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(hydroxyimino)naphthalen-2(1H)-one","","- C10 H7 N O2 -","- C10 H7 N O2 -","- C40 H28 N4 O8 -","4","1","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.0786","0.0481","","","0.1272","0.1497","","","","","","1.018","","","","has coordinates","254370","2020-10-21","18:00:00",""
"7240885","8.1552","0.0006","10.3206","0.0008","14.38","0.0012","90","","90","","90","","1210.32","0.16","105","2","104.71","","","","","","","","","4","P b c a","-P 2ac 2ab","61","trans-o,o'-azodioxytoluene","1, 2-bis(2mehtylphenyl)diazene 1,2-dioxide","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","0.5","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.0896","0.0497","","","0.1099","0.1302","","","","","","1.026","","","","has coordinates","254370","2020-10-21","18:00:00",""
"7240886","15.176","0.0013","10.4211","0.0006","15.5264","0.0012","90","","90","0.007","90","","2455.5","0.3","100","2","100.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","cis-o,o'-azodioxytoluene","Z-1, 2-bis(2-methylphenyl)diazene 1,2-dioxide","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C112 H112 N16 O16 -","8","1","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.126","0.0522","","","0.098","0.1121","","","","","","0.826","","","","has coordinates","254370","2020-10-21","18:00:00",""
"7240887","7.0409","0.0007","7.1841","0.0008","7.186","0.0009","61.943","0.007","65.01","0.007","64.427","0.007","278.14","0.06","150","2","149.99","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H6 F4 N2 O2 -","- C12 H6 F4 N2 O2 -","- C12 H6 F4 N2 O2 -","1","0.5","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.0829","0.0656","","","0.1965","0.212","","","","","","1.059","","","","has coordinates","254370","2020-10-21","18:00:00",""
"7240888","5.6472","0.0008","14.1772","0.0019","14.269","0.0018","93.043","0.008","92.475","0.008","93.34","0.008","1137.6","0.3","100","2","100.11","","","","","","","","","4","P -1","-P 1","2","","N-(2-nitrosophenyl)pivalamide","","- C11 H14 N2 O3 -","- C11 H14 N2 O3 -","- C44 H56 N8 O12 -","4","2","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.1361","0.0571","","","0.1116","0.1386","","","","","","1.002","","","","has coordinates,has disorder","254370","2020-10-21","18:00:00",""
"7240889","8.23301","0.00006","13.02347","0.00014","13.57687","0.00016","98.1817","0.0009","92.5946","0.0008","103.539","0.0008","1396.21","0.03","173","0.1","173","0.1","","","","","","","synthesis","5","P -1","-P 1","2","31","5-((4-((1s,4s)-4-(3-(trifluoromethyl)phenyl)cyclohexyl)piperazin-1-yl)methyl)pyridin-2(1H)-one","","- C27 H30 F9 N3 O5 -","- C27 H30 F9 N3 O5 -","- C54 H60 F18 N6 O10 -","2","1","","Cunha, Micael Rodrigues; Bhardwaj, Rajesh; Carrel, Aline Lucie; Lindinger, Sonja; Romanin, Christoph; Parise-Filho, Roberto; Hediger, Matthias A.; Reymond, Jean-Louis","Natural product inspired optimization of a selective TRPV6 calcium channel inhibitor","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00145G","","x-ray","1.54184","CuKα","","0.0544","0.0516","","","0.1368","0.1392","","","","","","1.056","","","","has coordinates,has disorder","254380","2020-10-21","18:00:00",""
"7240890","17.4137","0.0001","8.1451","0.0001","33.6364","0.0002","90","","90.413","0.001","90","","4770.74","0.07","173.01","0.1","173.01","0.1","","","","","","","synthesis","5","I 1 2/a 1","-I 2ya","15","19","5-(4-((1s,4s)-4-(tert-butyl)cyclohexyl)piperazine-1-carbonyl)pyridin-2(1H)-one","","- C22 H35.31 F3 N3 O5.65 -","- C22 H35.306 F3 N3 O5.653 -","- C176 H282.448 F24 N24 O45.224 -","8","1","","Cunha, Micael Rodrigues; Bhardwaj, Rajesh; Carrel, Aline Lucie; Lindinger, Sonja; Romanin, Christoph; Parise-Filho, Roberto; Hediger, Matthias A.; Reymond, Jean-Louis","Natural product inspired optimization of a selective TRPV6 calcium channel inhibitor","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00145G","","x-ray","1.54184","CuKα","","0.0391","0.0362","","","0.095","0.0974","","","","","","1.049","","","","has coordinates,has disorder","254380","2020-10-21","18:00:00",""
"7240891","7.2232","0.0003","8.9059","0.0004","15.2815","0.0006","96.464","0.003","95.779","0.003","99.987","0.004","954.71","0.07","173","0.1","173","0.1","","","","","","","Synthesis","3","P -1","-P 1","2","cis-22a","1-(pyridin-3-yl)-4-((1s,4s)-4-(m-tolyl)cyclohexyl)piperazine","","- C22 H29 N3 -","- C22 H29 N3 -","- C44 H58 N6 -","2","1","","Cunha, Micael Rodrigues; Bhardwaj, Rajesh; Carrel, Aline Lucie; Lindinger, Sonja; Romanin, Christoph; Parise-Filho, Roberto; Hediger, Matthias A.; Reymond, Jean-Louis","Natural product inspired optimization of a selective TRPV6 calcium channel inhibitor","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00145G","","x-ray","0.71073","MoKα","","0.0656","0.0504","","","0.1229","0.1388","","","","","","1.041","","","","has coordinates","254380","2020-10-21","18:00:00",""
"7240892","15.6425","0.0003","12.7231","0.0002","16.3931","0.0003","90","","106.097","0.002","90","","3134.66","0.1","172.98","0.1","172.98","0.1","","","","","","","Synthesis","5","P 1 21/n 1","-P 2yn","14","40","5-((4-((1r,4r)-4-hydroxy-4-(2-(trifluoromethyl)phenyl)cyclohexyl)piperazin-1-yl)methyl)pyridin-2(1H)-one","","- C29 H39 F6 N3 O5 -","- C29 H39 F6 N3 O5 -","- C116 H156 F24 N12 O20 -","4","1","","Cunha, Micael Rodrigues; Bhardwaj, Rajesh; Carrel, Aline Lucie; Lindinger, Sonja; Romanin, Christoph; Parise-Filho, Roberto; Hediger, Matthias A.; Reymond, Jean-Louis","Natural product inspired optimization of a selective TRPV6 calcium channel inhibitor","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00145G","","x-ray","1.54184","CuKα","","0.0897","0.0759","","","0.2374","0.2551","","","","","","1.051","","","","has coordinates","254380","2020-10-21","18:00:00",""
"7240893","12.1802","0.0001","16.4503","0.0001","14.0829","0.0001","90","","93.256","0.001","90","","2817.21","0.04","173","0.1","173","0.1","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","14","9","2-methoxy-4-((4-((1s,4s)-4-phenylcyclohexyl)piperazin-1-yl)methyl)phenol","","- C28 H34 F6 N2 O6 -","- C28 H34 F6 N2 O6 -","- C112 H136 F24 N8 O24 -","4","1","","Cunha, Micael Rodrigues; Bhardwaj, Rajesh; Carrel, Aline Lucie; Lindinger, Sonja; Romanin, Christoph; Parise-Filho, Roberto; Hediger, Matthias A.; Reymond, Jean-Louis","Natural product inspired optimization of a selective TRPV6 calcium channel inhibitor","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00145G","","x-ray","1.54184","CuKα","","0.0448","0.0424","","","0.1173","0.1192","","","","","","1.044","","","","has coordinates,has disorder","254380","2020-10-21","18:00:00",""
"7240894","7.361","0.0012","16.841","0.001","19.166","0.0015","90","","90","","90","","2375.9","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 Cl2 N7 O P2 Ru -","- C18 H29 Cl2 N7 O P2 Ru -","- C72 H116 Cl8 N28 O4 P8 Ru4 -","4","1","","Battistin, Federica; Vidal, Alessio; Balducci, Gabriele; Alessio, Enzo","Investigating the reactivity of neutral water-soluble Ru(ii)‒PTA carbonyls towards the model imine ligands pyridine and 2,2′-bipyridine","RSC Advances","2020","10","45","26717","26727","10.1039/D0RA05898J","","","0.7","synchrotron","","0.0378","0.0376","","","0.1114","0.1115","","","","","","1.034","","","","has coordinates,has disorder","258128","2020-10-21","18:00:00",""
"7240895","6.799","0.01","21.768","0.005","13.521","0.003","90","","94.767","0.019","90","","1994","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Cl2 N5 O2 P Ru -","- C17 H22 Cl2 N5 O2 P Ru -","- C68 H88 Cl8 N20 O8 P4 Ru4 -","4","1","","Battistin, Federica; Vidal, Alessio; Balducci, Gabriele; Alessio, Enzo","Investigating the reactivity of neutral water-soluble Ru(ii)‒PTA carbonyls towards the model imine ligands pyridine and 2,2′-bipyridine","RSC Advances","2020","10","45","26717","26727","10.1039/D0RA05898J","","","0.7","synchrotron","","0.0279","0.0278","","","0.0805","0.0807","","","","","","1.007","","","","has coordinates","258128","2020-10-21","18:00:00",""
"7240896","12.784","0.005","13.566","0.0012","23.229","0.003","90","","103.121","0.005","90","","3923.4","1.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H58 Cl2 N11 O8 P3 Ru -","- C29 H58 Cl2 N11 O8 P3 Ru -","- C116 H232 Cl8 N44 O32 P12 Ru4 -","4","1","","Battistin, Federica; Vidal, Alessio; Balducci, Gabriele; Alessio, Enzo","Investigating the reactivity of neutral water-soluble Ru(ii)‒PTA carbonyls towards the model imine ligands pyridine and 2,2′-bipyridine","RSC Advances","2020","10","45","26717","26727","10.1039/D0RA05898J","","","0.7","synchrotron","","0.0243","0.0242","","","0.0701","0.0702","","","","","","0.967","","","","has coordinates","258128","2020-10-21","18:00:00",""
"7240897","7.679","0.004","24.128","0.011","9.496","0.004","90","","113.85","","90","","1609.2","1.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Co N4 O4 -","- C16 H10 Co N4 O4 -","- C64 H40 Co4 N16 O16 -","4","1","","Wei, Xiao-Qin; Shao, Dong; Xue, Cai-Long; Qu, Xingyu; Chai, Jie; Li, Jianqing; Du, Yi-En; chen, yongqiang","Field-induced slow magnetic relaxation in two interpenetrated cobalt(II) metal-organic framework isomers","CrystEngComm","2020","","","","","10.1039/D0CE00979B","","","0.71073","MoKα","","0.1155","0.071","","","0.1618","0.1783","","","","","","0.964","","","","has coordinates","254420","2020-10-21","18:00:00",""
"7240898","14.8116","0.0008","8.7686","0.0004","14.8164","0.0007","90","","90","","90","","1924.31","0.16","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H10 Co N4 O4 -","- C16 H10 Co N4 O4 -","- C64 H40 Co4 N16 O16 -","4","1","","Wei, Xiao-Qin; Shao, Dong; Xue, Cai-Long; Qu, Xingyu; Chai, Jie; Li, Jianqing; Du, Yi-En; chen, yongqiang","Field-induced slow magnetic relaxation in two interpenetrated cobalt(II) metal-organic framework isomers","CrystEngComm","2020","","","","","10.1039/D0CE00979B","","","0.71073","MoKα","","0.0829","0.0477","","","0.1149","0.1428","","","","","","0.845","","","","has coordinates","254420","2020-10-21","18:00:00",""
"7240899","8.4111","0.0009","10.3053","0.0011","11.1643","0.0012","67.827","0.002","85.4","0.003","79.241","0.003","880.34","0.16","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H46 I2 Na2 O12 -","- C26 H46 I2 Na2 O12 -","- C26 H46 I2 Na2 O12 -","1","0.5","","Kim, Seulgi; Park, In-Hyeok; Lee, Shim Sung; Sim, Wonbo; Lee, Jai Young","Alkali metal complexes of bis-o-xylyl-(17-crown-5): from dinuclear monomer and dinuclear polymer to sandwich polymer","CrystEngComm","2020","","","","","10.1039/D0CE00864H","","","0.71073","MoKα","","0.0671","0.0654","","","0.2656","0.2666","","","","","","1.094","","","","has coordinates","254422","2020-10-21","18:00:00",""
"7240900","14.8016","0.0014","15.8098","0.0016","16.8878","0.0014","90","","111.541","0.005","90","","3675.9","0.6","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H21 F6 K O5 P -","- C13 H21 F6 K O5 P -","- C104 H168 F48 K8 O40 P8 -","8","1","","Kim, Seulgi; Park, In-Hyeok; Lee, Shim Sung; Sim, Wonbo; Lee, Jai Young","Alkali metal complexes of bis-o-xylyl-(17-crown-5): from dinuclear monomer and dinuclear polymer to sandwich polymer","CrystEngComm","2020","","","","","10.1039/D0CE00864H","","","0.71073","MoKα","","0.0971","0.0623","","","0.1662","0.1877","","","","","","1.075","","","","has coordinates,has disorder","254422","2020-10-21","18:00:00",""
"7240901","9.6204","0.0004","23.8722","0.0011","9.3051","0.0004","90","","117.294","0.002","90","","1899.09","0.15","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 Cl0.5 Cs0.5 O5 -","- C13 H21 Cl0.5 Cs0.5 O5 -","- C52 H84 Cl2 Cs2 O20 -","4","1","","Kim, Seulgi; Park, In-Hyeok; Lee, Shim Sung; Sim, Wonbo; Lee, Jai Young","Alkali metal complexes of bis-o-xylyl-(17-crown-5): from dinuclear monomer and dinuclear polymer to sandwich polymer","CrystEngComm","2020","","","","","10.1039/D0CE00864H","","","0.71073","MoKα","","0.0877","0.0725","","","0.2103","0.2211","","","","","","1.072","","","","has coordinates","254422","2020-10-21","18:00:00",""
"7240902","10.0468","0.0003","7.6582","0.0002","9.6509","0.0002","90","","117.188","0.003","90","","660.5","0.03","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br2 O4 -","- C12 H12 Br2 O4 -","- C24 H24 Br4 O8 -","2","0.5","","AL-Fayaad, Hydar; Arachchige, Kasun; Clegg, Jack Kay","A heterofunctional ligand approach for the preparation of high connectivity coordination polymers: combining a “bridge” and “pillar” in one ligand","CrystEngComm","2020","","","","","10.1039/D0CE01020K","","","0.71073","MoKα","","0.0396","0.0323","","","0.0744","0.0794","","","","","","1.117","","","","has coordinates","254423","2020-10-21","18:00:00",""
"7240903","10.62","0.002","8.42","0.0017","17.35","0.004","90","","107.64","0.03","90","","1478.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 N2 O5 Zn -","- C18 H10 N2 O5 Zn -","- C72 H40 N8 O20 Zn4 -","4","1","","AL-Fayaad, Hydar; Arachchige, Kasun; Clegg, Jack Kay","A heterofunctional ligand approach for the preparation of high connectivity coordination polymers: combining a “bridge” and “pillar” in one ligand","CrystEngComm","2020","","","","","10.1039/D0CE01020K","","","0.7108","synchrotron","","0.0897","0.0545","","","0.1228","0.1394","","","","","","1.013","","","","has coordinates","254423","2020-10-21","18:00:00",""
"7240904","9.424","0.0019","9.502","0.0019","20.94","0.004","90","","90","","90","","1875.1","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C88 H80 N8 O16 -","4","1","","AL-Fayaad, Hydar; Arachchige, Kasun; Clegg, Jack Kay","A heterofunctional ligand approach for the preparation of high connectivity coordination polymers: combining a “bridge” and “pillar” in one ligand","CrystEngComm","2020","","","","","10.1039/D0CE01020K","","","0.7108","Synchrotron","","0.0439","0.0429","","","0.1121","0.1128","","","","","","1.117","","","","has coordinates","254423","2020-10-21","18:00:00",""
"7240905","10.4109","0.0006","11.1279","0.0007","12.1125","0.001","101.58","0.007","98.222","0.006","117.146","0.006","1178.13","0.17","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H58 N4 Na2 O26 -","- C36 H58 N4 Na2 O26 -","- C36 H58 N4 Na2 O26 -","1","0.5","","AL-Fayaad, Hydar; Arachchige, Kasun; Clegg, Jack Kay","A heterofunctional ligand approach for the preparation of high connectivity coordination polymers: combining a “bridge” and “pillar” in one ligand","CrystEngComm","2020","","","","","10.1039/D0CE01020K","","","0.71073","MoKα","","0.1085","0.0947","","","0.1949","0.2013","","","","","","1.268","","","","has coordinates","254423","2020-10-21","18:00:00",""
"7240906","18.731","0.008","16.579","0.007","21.872","0.01","90","","100.786","0.006","90","","6672","5","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C71 H76 O15 Ti4 -","- C71 H75.9999 O15 Ti4 -","- C284 H304 O60 Ti16 -","4","1","","Li, Ning; Liu, Jing-Jing; Sun, Jia-Wei; Dong, Bao-Xia; Dong, Long-Zhang; Yao, Su-Juan; Xin, Zhifeng; Li, Shun-Li; Lan, Ya-Qian","Calix[8]arene-constructed stable polyoxo-titanium clusters for efficient CO2 photoreduction","Green Chemistry","2020","22","16","5325","5332","10.1039/D0GC01497D","","","0.71073","MoKα","","0.1416","0.0677","","","0.1446","0.1765","","","","","","1.028","","","","has coordinates,has disorder","257601","2020-10-21","18:00:00",""
"7240907","24.63","0.03","19.1","0.03","14.9","0.02","90","","90","","90","","7009","17","296.15","","296.15","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C68 H76 O24 Ti7 -","- C68 H76 O24 Ti7 -","- C272 H304 O96 Ti28 -","4","0.5","","Li, Ning; Liu, Jing-Jing; Sun, Jia-Wei; Dong, Bao-Xia; Dong, Long-Zhang; Yao, Su-Juan; Xin, Zhifeng; Li, Shun-Li; Lan, Ya-Qian","Calix[8]arene-constructed stable polyoxo-titanium clusters for efficient CO2 photoreduction","Green Chemistry","2020","22","16","5325","5332","10.1039/D0GC01497D","","","0.71073","MoKα","","0.1629","0.0852","","","0.169","0.2079","","","","","","1.122","","","","has coordinates,has disorder","257601","2020-10-21","18:00:00",""
"7240908","9.3908","0.0003","10.6494","0.0004","10.7328","0.0003","99.224","0.003","111.029","0.003","91.986","0.003","983.95","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl4 N4 Zn -","- C16 H18 Cl4 N4 Zn -","- C32 H36 Cl8 N8 Zn2 -","2","1","","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Linnik, Rostyslav P.; Nesterov, Dmytro S.; Trachevsky, Vladimir V.; Skelton, Brian W.","Synthetic strategy towards halometallates with imidazo[1,5-a]pyridinium-based counterions","CrystEngComm","2020","","","","","10.1039/D0CE00018C","","x-ray","0.71073","MoKα","","0.049","0.0375","","","0.0984","0.1062","","","","","","1.046","","","","has coordinates","254452","2020-10-21","18:00:00",""
"7240909","8.3872","0.0005","14.4806","0.0007","13.0923","0.0009","90","","102.917","0.002","90","","1549.84","0.16","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C13 H15 Cl2 N3 O2 Pd -","- C13 H15 Cl2 N3 O2 Pd -","- C52 H60 Cl8 N12 O8 Pd4 -","4","0.5","","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Linnik, Rostyslav P.; Nesterov, Dmytro S.; Trachevsky, Vladimir V.; Skelton, Brian W.","Synthetic strategy towards halometallates with imidazo[1,5-a]pyridinium-based counterions","CrystEngComm","2020","","","","","10.1039/D0CE00018C","","x-ray","0.71073","MoKα","","0.0398","0.0284","","","0.0577","0.0626","","","","","","1.114","","","","has coordinates","254452","2020-10-21","18:00:00",""
"7240910","43.5467","0.0012","24.859","0.0007","4.3222","0.0001","90","","90","","90","","4678.9","0.2","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H9 Cl3 N2 Pb -","- C8 H9 Cl3 N2 Pb -","- C128 H144 Cl48 N32 Pb16 -","16","1","","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Linnik, Rostyslav P.; Nesterov, Dmytro S.; Trachevsky, Vladimir V.; Skelton, Brian W.","Synthetic strategy towards halometallates with imidazo[1,5-a]pyridinium-based counterions","CrystEngComm","2020","","","","","10.1039/D0CE00018C","","x-ray","0.71073","MoKα","","0.026","0.0204","","","0.0304","0.0318","","","","","","0.875","","","","has coordinates","254452","2020-10-21","18:00:00",""
"7240911","5.3119","0.0003","14.3087","0.0006","15.0594","0.0009","90","","90.017","0.005","90","","1144.61","0.11","248.56","0.1","248.56","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 I N2 O -","- C12 H9 I N2 O -","- C48 H36 I4 N8 O4 -","4","1","","Uriel Rubio, Santiago; González, Lucía; Graus, Sara; Tejedor, Rosa María; Chantapally, Anjana; Serrano, Jose Luis","The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry","CrystEngComm","2020","","","","","10.1039/D0CE00832J","","","0.7107","MoKα","","0.0529","0.0376","","","0.0655","0.0703","","","","","","1.045","","","","has coordinates","254453","2020-10-21","18:00:00",""
"7240912","4.303","0.0012","14.824","0.005","25.84","0.008","90","","90","","90","","1648.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Hg I3 N2 O -","- C12 H9 Hg I3 N2 O -","- C48 H36 Hg4 I12 N8 O4 -","4","1","","Uriel Rubio, Santiago; González, Lucía; Graus, Sara; Tejedor, Rosa María; Chantapally, Anjana; Serrano, Jose Luis","The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry","CrystEngComm","2020","","","","","10.1039/D0CE00832J","","","0.7107","MoKα","","0.0666","0.042","","","0.0778","0.0872","","","","","","1.042","","","","has coordinates","254453","2020-10-21","18:00:00",""
"7240913","14.2615","0.0006","8.9996","0.0003","29.6078","0.0013","90","","90","","90","","3800.1","0.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H28 I2 N4 O6 Zn -","- C38 H28 I2 N4 O6 Zn -","- C152 H112 I8 N16 O24 Zn4 -","4","0.5","","Uriel Rubio, Santiago; González, Lucía; Graus, Sara; Tejedor, Rosa María; Chantapally, Anjana; Serrano, Jose Luis","The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry","CrystEngComm","2020","","","","","10.1039/D0CE00832J","","","0.71073","MoKα","","0.0382","0.0315","","","0.0726","0.0764","","","","","","1.024","","","","has coordinates","254453","2020-10-21","18:00:00",""
"7240914","9.3872","0.0005","11.4744","0.0004","13.2529","0.0006","107.591","0.004","110.075","0.005","94.437","0.004","1251.66","0.12","291.88","0.1","291.88","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Ag I2 N5 O5 -","- C24 H18 Ag I2 N5 O5 -","- C48 H36 Ag2 I4 N10 O10 -","2","1","","Uriel Rubio, Santiago; González, Lucía; Graus, Sara; Tejedor, Rosa María; Chantapally, Anjana; Serrano, Jose Luis","The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry","CrystEngComm","2020","","","","","10.1039/D0CE00832J","","","0.7107","MoKα","","0.0336","0.0295","","","0.0638","0.0677","","","","","","1.033","","","","has coordinates","254453","2020-10-21","18:00:00",""
"7240915","9.7184","0.0002","27.7576","0.0006","9.8707","0.0002","90","","91.04","0.002","90","","2662.28","0.1","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Br2 I2 N4 O2 Zn -","- C24 H18 Br2 I2 N4 O2 Zn -","- C96 H72 Br8 I8 N16 O8 Zn4 -","4","1","","Uriel Rubio, Santiago; González, Lucía; Graus, Sara; Tejedor, Rosa María; Chantapally, Anjana; Serrano, Jose Luis","The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry","CrystEngComm","2020","","","","","10.1039/D0CE00832J","","","1.5418","CuKα","","0.0521","0.05","","","0.1287","0.1304","","","","","","1.071","","","","has coordinates","254453","2020-10-21","18:00:00",""
"7240916","9.1551","0.0002","11.365","0.0002","18.1448","0.0004","90","","94.124","0.001","90","","1883.04","0.07","124","2","124.58","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-N-benzyl-N-(3-oxo-1,3-diphenylprop-1-en-1-yl)acetamide","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C96 H84 N4 O8 -","4","1","","Zhao, Kai; Zhang, Xiao-Chen; Tao, Ji-Yu; Wu, Xian-Dan; Wu, Jia-Xu; Li, Wei-Ming; Zhu, Tong-Hao; Loh, Teck-Peng","Regio- and stereoselective C(sp2)‒H acylation of enamides with aldehydes via transition-metal-free photoredox catalysis","Green Chemistry","2020","22","16","5497","5503","10.1039/D0GC01947J","","","1.34139","GaKα","","0.0497","0.0385","","","0.089","0.0961","","","","","","1.07","","","","has coordinates","257600","2020-10-21","18:00:00",""
"7240917","14.3957","0.0007","9.8622","0.0005","14.7627","0.0007","90","","100.8","0.002","90","","2058.78","0.18","170","2","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F3 N O2 -","- C24 H18 F3 N O2 -","- C96 H72 F12 N4 O8 -","4","1","","Zhao, Kai; Zhang, Xiao-Chen; Tao, Ji-Yu; Wu, Xian-Dan; Wu, Jia-Xu; Li, Wei-Ming; Zhu, Tong-Hao; Loh, Teck-Peng","Regio- and stereoselective C(sp2)‒H acylation of enamides with aldehydes via transition-metal-free photoredox catalysis","Green Chemistry","2020","22","16","5497","5503","10.1039/D0GC01947J","","","1.34139","GaKα","","0.0478","0.0439","","","0.1192","0.1234","","","","","","1.044","","","","has coordinates","257600","2020-10-21","18:00:00",""
"7240918","10.6923","0.0001","11.1552","0.0002","15.2475","0.0002","90","","97.358","0.001","90","","1803.67","0.04","170","2","170.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-benzoyl-3-phenylisoquinolin-2(1H)-yl)ethan-1-one","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Zhao, Kai; Zhang, Xiao-Chen; Tao, Ji-Yu; Wu, Xian-Dan; Wu, Jia-Xu; Li, Wei-Ming; Zhu, Tong-Hao; Loh, Teck-Peng","Regio- and stereoselective C(sp2)‒H acylation of enamides with aldehydes via transition-metal-free photoredox catalysis","Green Chemistry","2020","22","16","5497","5503","10.1039/D0GC01947J","","","1.34139","GaKα","","0.0454","0.0371","","","0.0872","0.0933","","","","","","1.039","","","","has coordinates","257600","2020-10-21","18:00:00",""
"7240919","12.9186","0.0012","11.6675","0.001","13.3986","0.0012","90","","109.007","0.004","90","","1909.4","0.3","185","2","185.32","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N O2 -","- C22 H25 N O2 -","- C88 H100 N4 O8 -","4","1","","Zhao, Kai; Zhang, Xiao-Chen; Tao, Ji-Yu; Wu, Xian-Dan; Wu, Jia-Xu; Li, Wei-Ming; Zhu, Tong-Hao; Loh, Teck-Peng","Regio- and stereoselective C(sp2)‒H acylation of enamides with aldehydes via transition-metal-free photoredox catalysis","Green Chemistry","2020","22","16","5497","5503","10.1039/D0GC01947J","","","1.34139","GaKα","","0.1023","0.0778","","","0.2161","0.2502","","","","","","1.074","","","","has coordinates","257600","2020-10-21","18:00:00",""
"7240920","14.5135","0.0006","11.7884","0.0004","18.8103","0.0007","90","","108.09","0.002","90","","3059.2","0.2","170","2","169.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N O -","- C21 H15 N O -","- C168 H120 N8 O8 -","8","2","","Zhao, Kai; Zhang, Xiao-Chen; Tao, Ji-Yu; Wu, Xian-Dan; Wu, Jia-Xu; Li, Wei-Ming; Zhu, Tong-Hao; Loh, Teck-Peng","Regio- and stereoselective C(sp2)‒H acylation of enamides with aldehydes via transition-metal-free photoredox catalysis","Green Chemistry","2020","22","16","5497","5503","10.1039/D0GC01947J","","","1.34139","GaKα","","0.097","0.0731","","","0.1901","0.2147","","","","","","1.031","","","","has coordinates","257600","2020-10-21","18:00:00",""
"7240921","6.45","0.005","6.733","0.007","10.676","0.007","84.312","0.014","78.116","0.014","68.519","0.014","422","0.6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C2 H8 N6 Na O5 -","- C2 H8 N6 Na O5 -","- C4 H16 N12 Na2 O10 -","2","1","","Chen, Xiang; Guo, Zhaoqi; Zhang, Cong; Gao, Rong; Zhang, Jianguo; Ma, Haixia","Constructing 3D layered energetic metal-organic framework with strong stacking interactions of hydrogen-bridged rings: the way to insensitive high energy complex","CrystEngComm","2020","","","","","10.1039/D0CE00643B","","","0.71073","MoKα","","0.1132","0.0752","","","0.1961","0.2183","","","","","","0.979","","","","has coordinates","254491","2020-10-21","18:00:00",""
"7240922","3.752","0.002","7.27","0.004","12.06","0.007","106.15","0.009","90.023","0.01","98.389","0.008","312.3","0.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C2 H4 N6 Na O3 -","- C2 H4 N6 Na O3 -","- C4 H8 N12 Na2 O6 -","2","1","","Chen, Xiang; Guo, Zhaoqi; Zhang, Cong; Gao, Rong; Zhang, Jianguo; Ma, Haixia","Constructing 3D layered energetic metal-organic framework with strong stacking interactions of hydrogen-bridged rings: the way to insensitive high energy complex","CrystEngComm","2020","","","","","10.1039/D0CE00643B","","","0.71073","MoKα","","0.0727","0.0517","","","0.1178","0.1301","","","","","","1.034","","","","has coordinates","254491","2020-10-21","18:00:00",""
"7240923","10.7235","0.001","10.3296","0.0009","19.0512","0.0016","90","","102.018","0.003","90","","2064","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Fe N6 O4 -","- C20 H23 Fe N6 O4 -","- C80 H92 Fe4 N24 O16 -","4","1","","Basak, Tanmoy; Das, Dhananjoy; Ray, Partha Pratim; Banerjee, Snehasis; Chattopadhyay, Shouvik","Synthesis, characterization, self-assembly and non-ohmic Schottky barrier diode behaviors of two iron(iii) based semiconductors with theoretical insight","CrystEngComm","2020","","","","","10.1039/D0CE00223B","","","0.71073","MoKα","","0.0531","0.0373","","","0.093","0.1049","","","","","","1.084","","","","has coordinates","254492","2020-10-21","18:00:00",""
"7240924","11.572","0.012","14.317","0.014","15.366","0.016","90","","112","0.03","90","","2360","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 Fe N6 O4 -","- C22 H27 Fe N6 O4 -","- C88 H108 Fe4 N24 O16 -","4","1","","Basak, Tanmoy; Das, Dhananjoy; Ray, Partha Pratim; Banerjee, Snehasis; Chattopadhyay, Shouvik","Synthesis, characterization, self-assembly and non-ohmic Schottky barrier diode behaviors of two iron(iii) based semiconductors with theoretical insight","CrystEngComm","2020","","","","","10.1039/D0CE00223B","","","0.71073","MoKα","","0.0382","0.0324","","","0.097","0.1077","","","","","","1.108","","","","has coordinates,has disorder","254492","2020-10-21","18:00:00",""
"7240925","8.908","0.002","14.714","0.004","15.163","0.006","90","","97.85","0.03","90","","1968.8","1.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H43.48 N4 O18.74 S2 U2 -","- C24 H42 N4 O18.74 S2 U2 -","- C48 H84 N8 O37.48 S4 U4 -","2","0.5","","Grabias, Ewelina; Tarasiuk, Bogdan; Dołęga, Anna; Majdan, Marek","New uranium(VI) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study","CrystEngComm","2020","","","","","10.1039/D0CE00746C","","x-ray","0.71073","MoKα","","0.0353","0.0285","","","0.0678","0.0711","","","","","","1.044","","","","has coordinates","254493","2020-10-21","18:00:00",""
"7240926","5.6982","0.0004","6.3203","0.0005","11.4318","0.0008","90.47","0.006","93.651","0.005","99.991","0.006","404.56","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H20 Cl2 N4 S2 -","- C12 H20 Cl2 N4 S2 -","- C12 H20 Cl2 N4 S2 -","1","0.5","","Grabias, Ewelina; Tarasiuk, Bogdan; Dołęga, Anna; Majdan, Marek","New uranium(VI) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study","CrystEngComm","2020","","","","","10.1039/D0CE00746C","","x-ray","0.71073","MoKα","","0.0452","0.0349","","","0.0884","0.0925","","","","","","1.032","","","","has coordinates","254493","2020-10-21","18:00:00",""
"7240927","8.3086","0.0004","27.7798","0.0016","15.6569","0.0007","90","","104.734","0.003","90","","3495","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cl2 N4 S2 -","- C14 H18 Cl2 N4 S2 -","- C112 H144 Cl16 N32 S16 -","8","1","","Grabias, Ewelina; Tarasiuk, Bogdan; Dołęga, Anna; Majdan, Marek","New uranium(VI) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study","CrystEngComm","2020","","","","","10.1039/D0CE00746C","","x-ray","0.71073","MoKα","","0.1188","0.067","","","0.1438","0.1703","","","","","","1.039","","","","has coordinates","254493","2020-10-21","18:00:00",""
"7240928","9.294","0.0002","13.8446","0.0004","16.1184","0.0004","90","","93.793","0.002","90","","2069.44","0.09","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N4 O4 S2 -","- C16 H26 N4 O4 S2 -","- C64 H104 N16 O16 S8 -","4","1","","Grabias, Ewelina; Tarasiuk, Bogdan; Dołęga, Anna; Majdan, Marek","New uranium(VI) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study","CrystEngComm","2020","","","","","10.1039/D0CE00746C","","x-ray","0.71073","MoKα","","0.0451","0.0358","","","0.0847","0.0894","","","","","","1.062","","","","has coordinates","254493","2020-10-21","18:00:00",""
"7240929","12.442","0.006","7.5206","0.0015","29.72","0.01","90","","96.79","0.03","90","","2761.4","1.7","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 Cl N4 O8 S2 U -","- C20 H27 Cl N4 O8 S2 U -","- C80 H108 Cl4 N16 O32 S8 U4 -","4","1","","Grabias, Ewelina; Tarasiuk, Bogdan; Dołęga, Anna; Majdan, Marek","New uranium(VI) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study","CrystEngComm","2020","","","","","10.1039/D0CE00746C","","x-ray","0.71073","MoKα","","0.0485","0.0464","","","0.1172","0.1185","","","","","","1.175","","","","has coordinates","254493","2020-10-21","18:00:00",""
"7240930","5.7358","0.0002","7.1947","0.0002","13.6224","0.0004","102.176","0.002","92.789","0.002","108.166","0.003","518.15","0.03","299.57","0.1","299.57","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10 O7 -","- C10 H10 O7 -","- C20 H20 O14 -","2","1","","Yang, Jinyue; Wang, Na; Tian, Beiqian; Ji, Xiongtao; Hou, Baohong; Wang, Ting; Huang, Xin; Su, Junquan; Yang, Zhanao; Hao, Hongxun","Multicomponent supramolecular assembly of p-hydroxybenzoic acid and malonic acid: a deep insight into the formation of selective cocrystal","CrystEngComm","2020","","","","","10.1039/D0CE00833H","","x-ray","0.71073","MoKα","","0.0797","0.0476","","","0.1101","0.1338","","","","","","1.021","","","","has coordinates","254494","2020-10-21","18:00:00",""
"7240931","17.212","0.003","17.212","0.003","17.168","0.0018","90","","90","","90","","5086.1","1.4","293","","293","","","","","","","","","4","P -4 21 m","P -4 2ab","113","wuf-30","","","- C48 H30 O16 Zn4 -","- C48 H29.5 O16 Zn4 -","- C96 H59 O32 Zn8 -","2","0.25","","Ablott, Timothy Andrew; Telfer, Shane; Richardson, Christopher","A post-synthetically reduced borane-functionalised metal-organic framework with oxidation-inhibiting reactivity","CrystEngComm","2020","","","","","10.1039/D0CE00930J","","x-ray","1.54178","CuKα","","0.1844","0.1781","","","0.4773","0.4859","","","","","","1.925","","","","has coordinates,has disorder","254530","2020-10-21","18:00:00",""
"7240932","17.1805","0.0003","17.1805","0.0003","17.1173","0.0006","90","","90","","90","","5052.5","0.2","292","","292","","","","","","","","","4","P -4 21 m","P -4 2ab","113","WUF-31","","","- C48 H36 O16 Zn4 -","- C47.5 H35.5 O16 Zn4 -","- C95 H71 O32 Zn8 -","2","0.25","","Ablott, Timothy Andrew; Telfer, Shane; Richardson, Christopher","A post-synthetically reduced borane-functionalised metal-organic framework with oxidation-inhibiting reactivity","CrystEngComm","2020","","","","","10.1039/D0CE00930J","","","1.54178","CuKα","","0.0835","0.0741","","","0.2323","0.2433","","","","","","1.166","","","","has coordinates,has disorder","254530","2020-10-21","18:00:00",""
"7240933","8.1544","0.0002","16.2063","0.0003","17.1591","0.0004","90","","98.034","0.002","90","","2245.36","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Co N4 O6 -","- C24 H22 Co N4 O6 -","- C96 H88 Co4 N16 O24 -","4","1","","Arici, Mürsel; Dikilitaş, Yakup Can; ERER, Hakan; Yesilel, Okan Zafer","Cobalt(II) and Zinc(II)-Coordination Polymers Constructed from Ether-Linked Tetracarboxylic Acid and Isomeric bis(imidazole) linkers: Luminescent Based Fe(III) Detection in Aqueous Media","CrystEngComm","2020","","","","","10.1039/D0CE00732C","","","0.71073","MoKα","","0.0595","0.0439","","","0.1069","0.1162","","","","","","1.036","","","","has coordinates","254569","2020-10-21","18:00:00",""
"7240934","8.2964","0.0005","17.7264","0.0011","16.8112","0.001","90","","98.546","0.002","90","","2444.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N4 O7 Zn -","- C24 H24 N4 O7 Zn -","- C96 H96 N16 O28 Zn4 -","4","1","","Arici, Mürsel; Dikilitaş, Yakup Can; ERER, Hakan; Yesilel, Okan Zafer","Cobalt(II) and Zinc(II)-Coordination Polymers Constructed from Ether-Linked Tetracarboxylic Acid and Isomeric bis(imidazole) linkers: Luminescent Based Fe(III) Detection in Aqueous Media","CrystEngComm","2020","","","","","10.1039/D0CE00732C","","","0.71073","MoKα","","0.1293","0.1147","","","0.1962","0.2009","","","","","","1.393","","","","has coordinates,has disorder","254569","2020-10-21","18:00:00",""
"7240935","8.3011","0.0006","17.7049","0.0014","16.8818","0.0014","90","","99.892","0.002","90","","2444.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Co N4 O7 -","- C24 H24 Co N4 O7 -","- C96 H96 Co4 N16 O28 -","4","1","","Arici, Mürsel; Dikilitaş, Yakup Can; ERER, Hakan; Yesilel, Okan Zafer","Cobalt(II) and Zinc(II)-Coordination Polymers Constructed from Ether-Linked Tetracarboxylic Acid and Isomeric bis(imidazole) linkers: Luminescent Based Fe(III) Detection in Aqueous Media","CrystEngComm","2020","","","","","10.1039/D0CE00732C","","","0.71073","MoKα","","0.122","0.0938","","","0.1802","0.1896","","","","","","1.229","","","","has coordinates,has disorder","254569","2020-10-21","18:00:00",""
"7240936","8.1281","0.0005","16.1955","0.0012","17.1781","0.0013","90","","96.562","0.002","90","","2246.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N4 O6 Zn -","- C24 H22 N4 O6 Zn -","- C96 H88 N16 O24 Zn4 -","4","1","","Arici, Mürsel; Dikilitaş, Yakup Can; ERER, Hakan; Yesilel, Okan Zafer","Cobalt(II) and Zinc(II)-Coordination Polymers Constructed from Ether-Linked Tetracarboxylic Acid and Isomeric bis(imidazole) linkers: Luminescent Based Fe(III) Detection in Aqueous Media","CrystEngComm","2020","","","","","10.1039/D0CE00732C","","","0.71073","MoKα","","0.0605","0.0499","","","0.1134","0.1183","","","","","","1.123","","","","has coordinates","254569","2020-10-21","18:00:00",""
"7240937","8.97809","0.00014","8.97809","0.00014","6.4585","0.0003","90","","90","","90","","520.59","0.03","293","","293","","","","101","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","","1.54178","CuKα","","0.0597","0.0556","","0.0885","0.0885","0.0885","","","","","","1.1324","","","","has coordinates","258985","2020-11-06","13:19:11",""
"7240938","8.7712","0.0008","8.7712","0.0008","6.2436","0.0009","90","","90","","90","","480.34","0.09","293","","293","","","","1960000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0945","0.089","","0.2338","0.2159","0.2239","","","","","","0.9959","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240939","8.9435","0.0005","8.9435","0.0005","6.4253","0.0007","90","","90","","90","","513.94","0.07","293","","293","","","","375000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0403","0.0394","","0.0976","0.0968","0.0867","","","","","","0.9719","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240940","8.7949","0.0006","8.7949","0.0006","6.273","0.0008","90","","90","","90","","485.22","0.08","293","","293","","","","1650000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.1056","0.1014","","0.2524","0.2364","0.2382","","","","","","1.0329","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240941","8.7425","0.0007","8.7425","0.0007","6.2161","0.0008","90","","90","","90","","475.1","0.08","293","","293","","","","2280000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.1009","0.095","","0.2556","0.2345","0.2414","","","","","","0.986","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240942","8.8591","0.0006","8.8591","0.0006","6.3339","0.0008","90","","90","","90","","497.11","0.08","293","","293","","","","1060000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.1277","0.1252","","0.3119","0.3035","0.2508","","","","","","1.0903","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240943","8.8963","0.0004","8.8963","0.0004","6.3753","0.0006","90","","90","","90","","504.57","0.06","293","","293","","","","740000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.1136","0.1106","","0.2741","0.2657","0.2321","","","","","","0.9962","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240944","8.722","0.0011","8.722","0.0011","6.1933","0.0011","90","","90","","90","","471.14","0.12","293","","293","","","","2710000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0937","0.0871","","0.2254","0.208","0.2165","","","","","","1.0377","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240945","8.6076","0.0014","8.6076","0.0014","6.0602","0.0017","90","","90","","90","","449","0.16","293","","293","","","","4620000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0974","0.0861","","0.2746","0.2412","0.2746","","","","","","1.1104","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240946","8.6538","0.001","8.6538","0.001","6.122","0.0012","90","","90","","90","","458.47","0.12","293","","293","","","","3730000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.1185","0.1095","","0.2961","0.2683","0.2895","","","","","","1.2444","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240947","10.3266","0.0008","10.3266","0.0008","6.4805","0.001","90","","90","","90","","691.07","0.13","293","","293","","","","250000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0919","0.0564","","0.3066","0.1675","0.1815","","","","","","0.8304","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240948","10.3078","0.0008","10.3078","0.0008","6.4712","0.001","90","","90","","90","","687.57","0.13","293","","293","","","","250000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0724","0.05","","0.2647","0.2053","0.1305","","","","","","0.9742","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240949","10.35151","0.00012","10.35151","0.00012","6.4977","0.0002","90","","90","","90","","696.25","0.02","293","","293","","","","101","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","","1.54178","CuKα","","0.0578","0.0501","","0.1428","0.1243","0.1428","","","","","","0.9642","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240950","10.1452","0.0013","10.1452","0.0013","6.3581","0.0011","90","","90","","90","","654.41","0.16","293","","293","","","","1230000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0614","0.046","","0.1972","0.1856","0.1295","","","","","","1.0129","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240951","10.0908","0.0014","10.0908","0.0014","6.3306","0.0017","90","","90","","90","","644.6","0.2","293","","293","","","","1610000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0756","0.0573","","0.231","0.2185","0.1481","","","","","","0.9901","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240952","10.056","0.002","10.056","0.002","6.32","0.003","90","","90","","90","","639.1","0.4","293","","293","","","","1920000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0847","0.0517","","0.2131","0.1301","0.1517","","","","","","0.9801","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240953","10.1964","0.0007","10.1964","0.0007","6.3876","0.0009","90","","90","","90","","664.1","0.11","293","","293","","","","920000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.046","0.0317","","0.0971","0.0836","0.0971","","","","","","1.0234","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240954","10.2482","0.0007","10.2482","0.0007","6.4309","0.0009","90","","90","","90","","675.41","0.11","293","","293","","","","580000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.078","0.0574","","0.243","0.1735","0.202","","","","","","0.9624","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240955","10.1647","0.0003","37.679","0.0009","10.9281","0.0003","90","","91.586","0.002","90","","4183.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H28 F9 N2 O6 Yb -","- C43 H28 F9 N2 O6 Yb -","- C172 H112 F36 N8 O24 Yb4 -","4","1","","Brito-Santos, Gabriela; Gil-Hernández, Beatriz; Martín, Inocencio R.; Guerrero-Lemus, Ricardo; Sanchiz, Joaquín","Visible and NIR emitting Yb(iii) and Er(iii) complexes sensitized by β-diketonates and phenanthroline derivatives","RSC Advances","2020","10","46","27815","27823","10.1039/D0RA05539E","","","1.54184","CuKα","","0.0676","0.06","","","0.1247","0.129","","","","","","1.146","","","","has coordinates","258067","2020-10-21","18:00:00",""
"7240956","21.3482","0.0003","10.96337","0.00012","18.2233","0.0002","90","","90","","90","","4265.13","0.09","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H26 F9 N4 O6 Yb -","- C44 H26 F9 N4 O6 Yb -","- C176 H104 F36 N16 O24 Yb4 -","4","1","","Brito-Santos, Gabriela; Gil-Hernández, Beatriz; Martín, Inocencio R.; Guerrero-Lemus, Ricardo; Sanchiz, Joaquín","Visible and NIR emitting Yb(iii) and Er(iii) complexes sensitized by β-diketonates and phenanthroline derivatives","RSC Advances","2020","10","46","27815","27823","10.1039/D0RA05539E","","","1.54184","CuKα","","0.0332","0.0329","","","0.0925","0.093","","","","","","1.051","","","","has coordinates","258067","2020-10-21","18:00:00",""
"7240957","21.078","0.0003","18.3155","0.0002","21.2034","0.0002","90","","90","","90","","8185.66","0.17","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H20 Er F9 N4 O6 S3 -","- C38 H20 Er F9 N4 O6 S3 -","- C304 H160 Er8 F72 N32 O48 S24 -","8","1","","Brito-Santos, Gabriela; Gil-Hernández, Beatriz; Martín, Inocencio R.; Guerrero-Lemus, Ricardo; Sanchiz, Joaquín","Visible and NIR emitting Yb(iii) and Er(iii) complexes sensitized by β-diketonates and phenanthroline derivatives","RSC Advances","2020","10","46","27815","27823","10.1039/D0RA05539E","","","0.71073","MoKα","","0.0593","0.0404","","","0.1026","0.1191","","","","","","1.034","","","","has coordinates,has disorder","258067","2020-10-21","18:00:00",""
"7240958","28.454","0.002","4.9978","0.0005","9.7968","0.0012","90","","90.999","0.009","90","","1393","0.2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","trans-(μ-D-leucinato)(μ-L-leucinato)copper(ii)","","- C12 H24 Cu N2 O4 -","- C12 H24 Cu N2 O4 -","- C48 H96 Cu4 N8 O16 -","4","1","","Vušak, Darko; Pejić, Jelena; Jurković, Mia; Szalontai, Gábor; Sabolovic, Jasmina","Coordination polymers of paramagnetic bis(leucinato)copper(II) diastereomers: experimental and computational study of the stereoisomerism and conformations","CrystEngComm","2020","","","","","10.1039/D0CE00585A","","","0.7","synchrotron","","0.1216","0.0723","","","0.1641","0.1934","","","","","","1.002","","","","has coordinates","254612","2020-10-21","18:00:00",""
"7240959","24.0615","0.0008","14.0088","0.0008","10.0527","0.0005","90","","100.996","0.004","90","","3326.3","0.3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 Cl Fe N6 O4 Se2 -","- C26 H36 Cl Fe N6 O4 Se2 -","- C104 H144 Cl4 Fe4 N24 O16 Se8 -","4","0.5","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","A theoretical insight into non-covalent supramolecular interactions in the solid state structures of two octahedral iron(III)complexes","CrystEngComm","2020","","","","","10.1039/D0CE00955E","","","0.71073","MoKα","","0.0767","0.0651","","","0.2095","0.2214","","","","","","1.156","","","","has coordinates","254613","2020-10-21","18:00:00",""
"7240960","9.866","0.009","10.754","0.009","13.6","0.012","96.95","0.02","108.18","0.02","109.27","0.02","1253.1","1.9","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H34 Cl Fe N4 O6 -","- C24 H34 Cl Fe N4 O6 -","- C48 H68 Cl2 Fe2 N8 O12 -","2","1","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","A theoretical insight into non-covalent supramolecular interactions in the solid state structures of two octahedral iron(III)complexes","CrystEngComm","2020","","","","","10.1039/D0CE00955E","","","0.71073","MoKα","","0.1737","0.1045","","","0.2757","0.3419","","","","","","1.025","","","","has coordinates","254613","2020-10-21","18:00:00",""
"7240961","19.3334","0.001","25.6921","0.0012","15.8595","0.0013","90","","123.08","0.002","90","","6600.8","0.7","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C51.5 H67.5 Cu4 N6.5 O27.5 -","- C41 H41 Cu4 N3 O23 -","- C164 H164 Cu16 N12 O92 -","4","0.5","","Xu, Tingting; Fan, Lihui; Zhou, Ping; Jiang, Zhenzhen; Chen, Haonan; Lu, Huangyan; He, Yabing","Construction and selective gas adsorption properties of two heteroSBU MOFs based on unsymmetrical tetracarboxylate linkers","CrystEngComm","2020","","","","","10.1039/D0CE01014F","","","0.71073","MoKα","","0.0524","0.0482","","","0.203","0.2133","","","","","","1.077","","","","has coordinates","254637","2020-10-21","18:00:00",""
"7240962","26.5456","0.0016","44.633","0.003","26.5717","0.0016","90","","90","","90","","31482","3","150","2","150","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C108 H147 Cl2 Cu10 N11 O56 -","- C64 H24 Cl0.75 Cu10 O44 -","- C512 H192 Cl6 Cu80 O352 -","8","0.5","","Xu, Tingting; Fan, Lihui; Zhou, Ping; Jiang, Zhenzhen; Chen, Haonan; Lu, Huangyan; He, Yabing","Construction and selective gas adsorption properties of two heteroSBU MOFs based on unsymmetrical tetracarboxylate linkers","CrystEngComm","2020","","","","","10.1039/D0CE01014F","","","0.71073","MoKα","","0.1389","0.066","","","0.1571","0.1891","","","","","","1.096","","","","has coordinates,has disorder","254637","2020-10-21","18:00:00",""
"7240963","12.0991","0.0002","12.9247","0.0002","10.4969","0.0002","90","","100.474","0.0007","90","","1614.13","0.05","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 F3 N2 O2 S -","- C15 H13 F3 N2 O2 S -","- C60 H52 F12 N8 O8 S4 -","4","1","","Nadiveedhi, Maheshwara Reddy; Cirandur, Suresh Reddy; Akondi, Srirama Murthy","Visible-light-promoted photocatalyst- and additive-free intermolecular trifluoromethyl-thio(seleno)cyanation of alkenes","Green Chemistry","2020","22","17","5589","5593","10.1039/D0GC01726D","","","0.71073","MoKα","","0.0924","0.0619","","","0.157","0.1791","","","","","","1.054","","","","has coordinates","257591","2020-10-21","18:00:00",""
"7240964","7.0148","0.0014","17.582","0.004","14.402","0.003","90","","90","","90","","1776.3","0.7","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H18 N2 O3 S -","- C20 H18 N2 O3 S -","- C80 H72 N8 O12 S4 -","4","1","","Bhattacharjee, Suvam; Laru, Sudip; Samanta, Sadhanendu; Singsardar, Mukta; Hajra, Alakananda","Visible light-induced photocatalytic C‒H ethoxycarbonylmethylation of imidazoheterocycles with ethyl diazoacetate","RSC Advances","2020","10","47","27984","27988","10.1039/D0RA05795A","","","0.71073","MoKα","","0.0627","0.0416","","","0.1147","0.1402","","","","","","0.856","","","","has coordinates","258073","2020-10-21","18:00:00",""
"7240965","10.759","0.002","19.33","0.004","12.307","0.003","90","","100.26","0.03","90","","2518.6","1","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14.5 H18.5 Mg N1.5 O6.5 S2 -","- C14.5 H18.5 Mg N1.5 O6.5 S2 -","- C58 H74 Mg4 N6 O26 S8 -","4","1","","Yao, Jun; Liu, Yan-E; Yang, Li-Bo; Dou, Ai-Na; Hou, Cheng-Fu; Xu, Quan-Qing; Huang, Bo; Zhu, Ai-Xin","Novel alkaline earth metal-organic frameworks with thiophene group for selective detection of Fe3+","CrystEngComm","2020","","","","","10.1039/D0CE00990C","","","0.71073","MoKα","","0.1944","0.1072","","","0.3159","0.3707","","","","","","1.064","","","","has coordinates,has disorder","254717","2020-10-21","18:00:00",""
"7240966","22.642","0.003","9.7853","0.0012","6.8909","0.0008","90","","90","","90","","1526.7","0.3","296","2","296","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C13 H13 Ca N O5 S2 -","- C13 H13 Ca N O5 S2 -","- C52 H52 Ca4 N4 O20 S8 -","4","1","","Yao, Jun; Liu, Yan-E; Yang, Li-Bo; Dou, Ai-Na; Hou, Cheng-Fu; Xu, Quan-Qing; Huang, Bo; Zhu, Ai-Xin","Novel alkaline earth metal-organic frameworks with thiophene group for selective detection of Fe3+","CrystEngComm","2020","","","","","10.1039/D0CE00990C","","","0.71073","MoKα","","0.0412","0.0393","","","0.107","0.1092","","","","","","1.115","","","","has coordinates,has disorder","254717","2020-10-21","18:00:00",""
"7240967","7.3261","0.0015","22.72","0.005","9.936","0.002","90","","90","","90","","1653.8","0.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13 H13 N O5 S2 Sr -","- C13 H13 N O5 S2 Sr -","- C52 H52 N4 O20 S8 Sr4 -","4","0.5","","Yao, Jun; Liu, Yan-E; Yang, Li-Bo; Dou, Ai-Na; Hou, Cheng-Fu; Xu, Quan-Qing; Huang, Bo; Zhu, Ai-Xin","Novel alkaline earth metal-organic frameworks with thiophene group for selective detection of Fe3+","CrystEngComm","2020","","","","","10.1039/D0CE00990C","","","0.71073","MoKα","","0.0742","0.066","","","0.1625","0.1679","","","","","","1.243","","","","has coordinates,has disorder","254717","2020-10-21","18:00:00",""
"7240968","7.1656","0.0003","10.9705","0.0004","17.5843","0.0006","90","","90","","90","","1382.31","0.09","120.01","0.1","120.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 N4 -","- C18 H13 N4 -","- C72 H52 N16 -","4","1","","Constantinides, Christos P.; Lawson, Daniel B.; Zissimou, Georgia; Berezin, Andrey; Mailman, Aaron M.; Manoli, Maria; Kourtellaris, Andreas; Leitus, Gregory; Clerac, Rodolphe; Tuononen, Heikki M.; Koutentis, Panayiotis Andreas","Polymorphism in a π Stacked Blatter Radical: Structures and Magnetic Properties of 3-(Phenyl)-1-(pyrid-2-yl)-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl","CrystEngComm","2020","","","","","10.1039/D0CE00789G","","x-ray","1.54184","CuKα","","0.0464","0.0388","","","0.0943","0.1001","","","","","","1.04","","","","has coordinates","254718","2020-10-21","18:00:00",""
"7240969","19.7893","0.0009","3.7682","0.0001","19.7322","0.0008","90","","114.594","0.005","90","","1337.94","0.1","120","0.1","120","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N4 -","- C18 H13 N4 -","- C72 H52 N16 -","4","1","","Constantinides, Christos P.; Lawson, Daniel B.; Zissimou, Georgia; Berezin, Andrey; Mailman, Aaron M.; Manoli, Maria; Kourtellaris, Andreas; Leitus, Gregory; Clerac, Rodolphe; Tuononen, Heikki M.; Koutentis, Panayiotis Andreas","Polymorphism in a π Stacked Blatter Radical: Structures and Magnetic Properties of 3-(Phenyl)-1-(pyrid-2-yl)-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl","CrystEngComm","2020","","","","","10.1039/D0CE00789G","","x-ray","1.54184","CuKα","","0.0493","0.0418","","","0.1115","0.1196","","","","","","1.03","","","","has coordinates","254718","2020-10-21","18:00:00",""
"7240970","10.1657","0.0003","21.3974","0.0008","14.5383","0.0006","90","","100.455","0.004","90","","3109.9","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Cd N5 O9 -","- C20 H15 Cd N5 O9 -","- C80 H60 Cd4 N20 O36 -","4","1","","Husain, Ahmad; Rani, Pooja; ., Alisha; Sharma, Ananay; Mondal, Tuhina; Saha, Shyamal Kumar; Bhasin, K.k; Trivedi, Manoj; Kumar, Girijesh","Luminescent CdII Metal‒Organic Frameworks based on Isoniazid using Mixed Ligand Approach","CrystEngComm","2020","","","","","10.1039/D0CE00895H","","x-ray","0.71073","MoKα","","0.1233","0.0771","","","0.2336","0.2725","","","","","","1.025","","","","has coordinates,has disorder","254719","2020-10-21","18:00:00",""
"7240971","7.0491","0.0002","19.8236","0.0005","8.8113","0.0002","90","","107.547","0.003","90","","1173.99","0.06","298","","298","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H25 Cd N5 O7 -","- C20 H25 Cd N5 O7 -","- C40 H50 Cd2 N10 O14 -","2","0.5","","Husain, Ahmad; Rani, Pooja; ., Alisha; Sharma, Ananay; Mondal, Tuhina; Saha, Shyamal Kumar; Bhasin, K.k; Trivedi, Manoj; Kumar, Girijesh","Luminescent CdII Metal‒Organic Frameworks based on Isoniazid using Mixed Ligand Approach","CrystEngComm","2020","","","","","10.1039/D0CE00895H","","x-ray","0.71073","MoKα","","0.0277","0.0261","","","0.0694","0.0703","","","","","","1.091","","","","has coordinates","254719","2020-10-21","18:00:00",""
"7240972","6.8892","0.0002","13.9675","0.0003","24.3771","0.0006","90","","93.534","0.001","90","","2341.22","0.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N5 O8 -","- C26 H19 N5 O8 -","- C104 H76 N20 O32 -","4","1","","Lemmerer, Andreas","All good things come in threes: first example of a trimorphic, ternary molecular salt complex","CrystEngComm","2020","","","","","10.1039/D0CE01023E","","x-ray","0.71073","MoKα","","0.0561","0.0401","","","0.1026","0.1112","","","","","","1.043","","","","has coordinates","254756","2020-10-21","18:00:00",""
"7240973","7.0834","0.0005","12.8271","0.0009","13.8555","0.0009","77.196","0.002","85.946","0.002","81.281","0.002","1212.51","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N5 O8 -","- C26 H19 N5 O8 -","- C52 H38 N10 O16 -","2","1","","Lemmerer, Andreas","All good things come in threes: first example of a trimorphic, ternary molecular salt complex","CrystEngComm","2020","","","","","10.1039/D0CE01023E","","x-ray","0.71073","MoKα","","0.0555","0.0445","","","0.1079","0.1144","","","","","","1.014","","","","has coordinates","254756","2020-10-21","18:00:00",""
"7240974","7.8923","0.0011","18.908","0.003","15.969","0.002","90","","95.838","0.005","90","","2370.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N5 O8 -","- C26 H19 N5 O8 -","- C104 H76 N20 O32 -","4","1","","Lemmerer, Andreas","All good things come in threes: first example of a trimorphic, ternary molecular salt complex","CrystEngComm","2020","","","","","10.1039/D0CE01023E","","x-ray","0.71073","MoKα","","0.0419","0.0377","","","0.0984","0.1022","","","","","","1.019","","","","has coordinates","254756","2020-10-21","18:00:00",""
"7240975","8.4001","0.0004","27.6987","0.0014","7.49","0.0004","90","","99.621","0.002","90","","1718.2","0.15","283","2","283","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N3 -","- C23 H15 N3 -","- C92 H60 N12 -","4","1","","Liu, Yan; Li, Aisen; Ma, Zhimin; Xu, Weiqing; Ma, Zhiyong; Jia, Xinru","Multicolored fluorescence variation of a new carbazole-based AIEE molecule by external stimuli.","Physical chemistry chemical physics : PCCP","2020","22","34","19195","19201","10.1039/d0cp02783a","","","0.71073","MoKα","","0.0851","0.05","","","0.124","0.158","","","","","","1.065","","","","has coordinates","258989","2020-11-06","13:20:14",""
"7240976","7.7136","0.0004","8.6961","0.0005","9.1169","0.0005","68.073","0.005","79.306","0.004","64.143","0.005","510.32","0.06","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C10 H12 O7 -","- C10 H12 O7 -","- C20 H24 O14 -","2","1","","Yan, Zhangyuan; Li, Jialin; Ye, Geting; Chen, Tao; Li, Meimei; Liang, Yanmin; Long, Yuhua","Fused multicyclic polyketides with a two-spiro-carbon skeleton from mangrove-derived endophytic fungus Epicoccum nigrum SCNU-F0002","RSC Advances","2020","10","48","28560","28566","10.1039/D0RA05532H","","x-ray","1.54184","CuKα","","0.0483","0.0463","","","0.1338","0.1371","","","","","","1.037","","","","has coordinates","258082","2020-10-21","18:00:00",""
"7240977","11.6926","0.0009","8.1121","0.0007","14.1796","0.001","90","","90","","90","","1344.96","0.18","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-amino-3-hydroxybenzoic acid","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C56 H56 N8 O24 -","8","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.0808","0.0495","","","0.1292","0.1562","","","","","","0.928","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240978","9.7014","0.0012","14.9141","0.0012","6.9582","0.0009","90","","109.984","0.014","90","","946.1","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-amino-5-chloro-2-ethoxybenzoic acid","","- C9 H10 Cl N O3 -","- C9 H10 Cl N O3 -","- C36 H40 Cl4 N4 O12 -","4","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.1111","0.0634","","","0.1487","0.19","","","","","","0.958","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240979","6.5218","0.001","17.636","0.002","10.0639","0.0014","90","","107.754","0.014","90","","1102.4","0.3","150.02","0.1","150.02","0.1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","4-amino-2,3,5,6-tetrafluorobenzoic acid acetone solvate","","- C10 H9 F4 N O3 -","- C10 H9 F4 N O3 -","- C40 H36 F16 N4 O12 -","4","0.5","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.091","0.0672","","","0.1822","0.203","","","","","","1.103","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7240980","7.278","0.0006","7.533","0.0007","16.2004","0.0011","94.713","0.006","91.34","0.006","106.926","0.007","845.8","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","4-amino-5-chloro-2-methoxybenzoic acid","","- C8 H8 Cl N O3 -","- C8 H8 Cl N O3 -","- C32 H32 Cl4 N4 O12 -","4","2","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.0969","0.0559","","","0.1405","0.1794","","","","","","0.935","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240981","3.7229","0.0003","11.1634","0.0008","16.9454","0.0011","90","","95.218","0.007","90","","701.34","0.09","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-amino-3-chlorobenzoic acid","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.0607","0.0427","","","0.0912","0.1027","","","","","","1.059","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240982","8.1846","0.0007","13.5952","0.001","7.2087","0.0006","90","","109.909","0.01","90","","754.18","0.12","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-amino-2-methoxybenzoic acid","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.0909","0.0532","","","0.1132","0.1382","","","","","","1.03","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240983","14.7711","0.0008","3.7877","0.0002","24.3334","0.0012","90","","107.378","0.004","90","","1299.28","0.12","150","0.1","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-amino-2-fluorobenzoic acid","","- C7 H6 F N O2 -","- C7 H6 F N O2 -","- C56 H48 F8 N8 O16 -","8","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","","0.71073","MoKα","","0.0409","0.0366","","","0.106","0.1098","","","","","","1.081","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240984","22.4397","0.0009","20.5326","0.0007","11.9083","0.0004","90","","105.194","0.003","90","","5294.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-aminobenzoic acid dioxane solvate","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C216 H264 N24 O72 -","12","3","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","","1.54178","CuKα","","0.1292","0.0801","","","0.2062","0.2386","","","","","","1.04","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240985","4.1957","0.0002","14.9867","0.0006","11.5145","0.0005","90","","97.566","0.004","90","","717.72","0.05","100.12","0.1","100.12","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-amino-2,3,5,6-tetrafluorobenzoic acid","","- C7 H3 F4 N O2 -","- C7 H3 F4 N O2 -","- C28 H12 F16 N4 O8 -","4","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.0332","0.0297","","","0.0844","0.0871","","","","","","1.092","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240986","7.0886","0.0002","18.8246","0.0005","12.8623","0.0004","90","","92.882","0.002","90","","1714.18","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-amino-2,3,5,6-tetrafluorobenzoic acid dioxane solvate","","- C15 H19 F4 N O6 -","- C15 H19 F4 N O6 -","- C60 H76 F16 N4 O24 -","4","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","","1.54178","CuKα","","0.0384","0.0306","","","0.0765","0.0811","","","","","","1.021","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240987","10.7033","0.0004","8.728","0.0003","16.1405","0.0007","90","","95.802","0.004","90","","1500.1","0.1","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-amino-3-methylbenzoic acid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","2","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.0748","0.0506","","","0.1278","0.1437","","","","","","1.035","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7240988","7.7494","0.00014","8.12614","0.00016","22.7285","0.0004","90","","90","","90","","1431.28","0.05","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-amino-2-methylbenzoic acid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","2","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","1.54184","CuKα","","0.0284","0.0277","","","0.0732","0.0737","","","","","","1.058","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240989","5.0395","0.0002","8.2374","0.0003","20.4205","0.0007","88.805","0.002","83.313","0.002","84.487","0.002","838","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-aminobenzoic acid acetone solvate","","- C8.5 H10 N O2.5 -","- C8.5 H10 N O2.5 -","- C34 H40 N4 O10 -","4","2","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","","1.54178","CuKα","","0.0411","0.0381","","","0.1079","0.1114","","","","","","1.067","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7240990","18.7617","0.0008","21.4672","0.0009","20.4528","0.0008","90","","90.527","0.004","90","","8237.2","0.6","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","TBATPHAP","","- C76 H119.79 N20 O14 -","- C76 H119.788 N20 O14 -","- C304 H479.152 N80 O56 -","4","1","","Deekamwong, Krittanun; Usov, Pavel M.; Ohtsu, Hiroyoshi; Kawano, Masaki","Pyridinium modification of a hexaazaphenalene skeleton: structure and spectroelectrochemical analysis","CrystEngComm","2020","","","","","10.1039/D0CE00850H","","x-ray","0.71073","MoKα","","0.2122","0.0896","","","0.1741","0.2239","","","","","","1.015","","","","has coordinates,has disorder","254820","2020-10-21","18:00:00",""
"7240991","8.6426","0.0003","17.2337","0.0006","18.5797","0.0003","109.028","0.003","99.333","0.002","91.867","0.003","2570.64","0.14","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Ethyl acetate TPHAP","","- C42 H53 F12 N9 O10 P2 -","- C42 H53 F12 N9 O10 P2 -","- C84 H106 F24 N18 O20 P4 -","2","1","","Deekamwong, Krittanun; Usov, Pavel M.; Ohtsu, Hiroyoshi; Kawano, Masaki","Pyridinium modification of a hexaazaphenalene skeleton: structure and spectroelectrochemical analysis","CrystEngComm","2020","","","","","10.1039/D0CE00850H","","x-ray","1.54184","CuKα","","0.1012","0.0663","","","0.1747","0.2018","","","","","","1.025","","","","has coordinates,has disorder","254820","2020-10-21","18:00:00",""
"7240992","17.1313","0.0006","17.1313","0.0006","20.8643","0.0006","90","","90","","90","","6123.3","0.4","123","2","123","2","","","","","","","","6","I 4/m","-I 4","87","","Methyl TPHAP","","- C25 H21 F12 N9 O0.5 P2 -","- C25 H21 F12 N9 O0.5 P2 -","- C200 H168 F96 N72 O4 P16 -","8","0.5","","Deekamwong, Krittanun; Usov, Pavel M.; Ohtsu, Hiroyoshi; Kawano, Masaki","Pyridinium modification of a hexaazaphenalene skeleton: structure and spectroelectrochemical analysis","CrystEngComm","2020","","","","","10.1039/D0CE00850H","","x-ray","0.71073","MoKα","","0.169","0.1137","","","0.3326","0.3747","","","","","","1.314","","","","has coordinates,has disorder","254820","2020-10-21","18:00:00",""
"7240993","7.8313","0.0004","24.965","0.0013","26.4024","0.0013","75.376","0.004","84.342","0.004","88.14","0.004","4970.2","0.4","123.15","","123.15","","","","","","","","","5","P -1","-P 1","2","","Methyl p-toluate TPHAP","","- C49 H39 Br2 N9 O11.9 -","- C49 H39 Br2 N9 O11.9035 -","- C196 H156 Br8 N36 O47.614 -","4","2","","Deekamwong, Krittanun; Usov, Pavel M.; Ohtsu, Hiroyoshi; Kawano, Masaki","Pyridinium modification of a hexaazaphenalene skeleton: structure and spectroelectrochemical analysis","CrystEngComm","2020","","","","","10.1039/D0CE00850H","","x-ray","0.71073","MoKα","","0.2463","0.1177","","","0.2609","0.3372","","","","","","1.034","","","","has coordinates,has disorder","254820","2020-10-21","18:00:00",""
"7240994","4.0787","0.0003","9.0943","0.0006","10.9148","0.0007","82.327","0.006","80.162","0.006","77.648","0.006","387.69","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H12 Cu2 I2 N12 -","- C6 H12 Cu2 I2 N12 -","- C6 H12 Cu2 I2 N12 -","1","0.5","","Zhang, Yu; Yang, Qing Feng; Li, Xiaoping; Miao, Chengxia; Hou, Qin; Ai, Shiyun","One Cu(I)-I coordination polymer fluorescent chemosensor with amino-rich sites for nitro aromatic compounds (NACs) detection in water","CrystEngComm","2020","","","","","10.1039/D0CE00835D","","x-ray","0.71073","MoKα","","0.0299","0.0259","","","0.0492","0.0521","","","","","","1.044","","","","has coordinates","254821","2020-10-21","18:00:00",""
"7240995","15.3649","0.0005","10.2088","0.0004","23.5463","0.0008","90","","106.752","0.002","90","","3536.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Cl N5 O9 S -","- C34 H34 Cl N5 O9 S -","- C136 H136 Cl4 N20 O36 S4 -","4","1","","P. George, Christy; Thorat, Sridhar Hanamant; Shaligram, Parth S.; Suresha, P. R.; Gonnade, Rajesh G.","Drug-Drug Cocrystals of Anticancer Drugs Erlotinib-Furosemide and Gefitinib-Mefenamic acid for Alternative Multi-Drug Treatment","CrystEngComm","2020","","","","","10.1039/D0CE00353K","","","0.71073","MoKα","","0.0605","0.0421","","","0.1051","0.1154","","","","","","1.031","","","","has coordinates","254822","2020-10-21","18:00:00",""
"7240996","10.9083","0.0007","7.6817","0.0005","41.588","0.003","90","","96.132","0.004","90","","3464.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Gefitinib-mefenamic acid cocrystal","","- C37 H41 Cl F N5 O6 -","- C37 H41 Cl F N5 O6 -","- C148 H164 Cl4 F4 N20 O24 -","4","1","","P. George, Christy; Thorat, Sridhar Hanamant; Shaligram, Parth S.; Suresha, P. R.; Gonnade, Rajesh G.","Drug-Drug Cocrystals of Anticancer Drugs Erlotinib-Furosemide and Gefitinib-Mefenamic acid for Alternative Multi-Drug Treatment","CrystEngComm","2020","","","","","10.1039/D0CE00353K","","","0.71073","MoKα","","0.1272","0.0908","","","0.1998","0.2177","","","","","","1.09","","","","has coordinates","254822","2020-10-21","18:00:00",""
"7240997","7.4156","0.0003","28.9261","0.0013","11.9542","0.0005","90","","98.256","0.004","90","","2537.65","0.19","122","30","122","30","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H9 F8 I4 N O -","- C23 H9 F8 I4 N O -","- C92 H36 F32 I16 N4 O4 -","4","0.5","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","0.71073","MoKα","","0.0213","0.0192","","","0.0404","0.0415","","","","","","1.0517","","","","has coordinates","254824","2020-10-21","18:00:00",""
"7240998","11.5999","0.0007","12.8903","0.0008","17.2206","0.001","69.005","0.005","75.36","0.005","84.308","0.005","2325.8","0.3","271","2","271","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H28 F8 I4 N2 O2 -","- C50 H28 F8 I4 N2 O2 -","- C100 H56 F16 I8 N4 O4 -","2","1","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","0.71073","MoKα","","0.0664","0.0386","","","0.0751","0.0903","","","","","","1.026","","","","has coordinates","254824","2020-10-21","18:00:00",""
"7240999","24.648","0.001","15.7428","0.0005","19.4112","0.0005","90","","121.721","0.002","90","","6406.9","0.4","100","0.19","100","0.19","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C69 H39 F12 I6 N3 O3 -","- C69 H39 F12 I6 N3 O3 -","- C276 H156 F48 I24 N12 O12 -","4","1","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","0.71073","MoKα","","0.0644","0.0496","","","0.1159","0.1309","","","","","","1.05","","","","has coordinates","254824","2020-10-21","18:00:00",""
"7241000","18.9947","0.0005","16.3335","0.0003","21.992","0.0005","90","","111.263","0.003","90","","6358.5","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H39 F12 I6 N3 O3 -","- C71 H39 F12 I6 N3 O3 -","- C284 H156 F48 I24 N12 O12 -","4","1","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","0.71073","MoKα","","0.0449","0.0322","","","0.066","0.0735","","","","","","1.131","","","","has coordinates","254824","2020-10-21","18:00:00",""
"7241001","14.147","0.0005","16.6061","0.0004","18.9558","0.0005","90","","90","","90","","4453.2","0.2","150","0.1","150","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C50 H28 F8 I4 N2 O2 -","- C50 H28 F8 I4 N2 O2 -","- C200 H112 F32 I16 N8 O8 -","4","1","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","0.71073","MoKα","","0.0504","0.0378","","","0.0599","0.0655","","","","","","1.0358","","","","has coordinates","254824","2020-10-21","18:00:00",""
"7241002","17.8703","0.0005","34.1971","0.0007","17.377","0.0004","90","","114.181","0.003","90","","9687.5","0.5","292.49","0.1","292.49","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H30 F8 I4 N2 O2 -","- C52 H30 F8 I4 N2 O2 -","- C416 H240 F64 I32 N16 O16 -","8","2","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft–cavity–type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","1.54184","CuKα","","0.0964","0.0637","","","0.1593","0.1927","","","","","","1.029","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7241003","10.768","0.002","10.433","0.002","14.8","0.003","90","","103.502","0.003","90","","1616.7","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Cl N2 O2 S -","- C17 H15 Cl N2 O2 S -","- C68 H60 Cl4 N8 O8 S4 -","4","1","","Wang, Kai-Kai; Xie, Yan-Xin; Li, Yan-Li; Chen, Rongxiang; Wang, Zhan-Yong","Dearomative [3 + 2] cycloaddition reaction of nitrobenzothiophenes with nonstabilized azomethine ylides","RSC Advances","2020","10","48","28720","28724","10.1039/D0RA05687A","","","0.71073","MoKα","","0.051","0.0393","","","0.1041","0.1106","","","","","","1.022","","","","has coordinates","258079","2020-10-21","18:00:00",""
"7241004","12.244","0.005","15.559","0.005","13.831","0.005","90","","113.152","0.005","90","","2422.7","1.5","293","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N4 O Se2 -","- C22 H26 N4 Se2 -","- C88 H104 N16 Se8 -","4","1","","Maruthupandi, Mannarsamy; Prabusankar, Ganesan","Catalytically active coordination polymer with a tiny Zn2Se2 ring bridged by bis-selone","RSC Advances","2020","10","48","28950","28957","10.1039/D0RA04577B","","","0.71073","MoKα","","0.123","0.0581","","","0.142","0.1898","","","","","","1.0311","","","","has coordinates","258080","2020-10-21","18:00:00",""
"7241005","17.2917","0.0005","9.421","0.0004","16.2331","0.0005","90","","93.499","0.003","90","","2639.53","0.16","120.01","0.1","120.01","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C22 H26 Br2 N4 O0.31 Se1.69 Zn -","- C22 H26 Br2 N4 O0.31 Se1.69 Zn -","- C88 H104 Br8 N16 O1.24 Se6.76 Zn4 -","4","0.5","","Maruthupandi, Mannarsamy; Prabusankar, Ganesan","Catalytically active coordination polymer with a tiny Zn2Se2 ring bridged by bis-selone","RSC Advances","2020","10","48","28950","28957","10.1039/D0RA04577B","","","0.71073","MoKα","","0.0411","0.0328","","","0.0629","0.0647","","","","","","1.145","","","","has coordinates,has disorder","258080","2020-10-21","18:00:00",""
"7241006","10.6078","0.0005","10.7273","0.0004","31.015","0.0011","90","","90","","90","","3529.3","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Cl2 N2 O3 -","- C18 H16 Cl2 N2 O3 -","- C144 H128 Cl16 N16 O24 -","8","1","","Bieszczad, Bartosz; Pawlędzio, Sylwia; Polak, Katarzyna; Antonowicz, Jerzy; Mieczkowski, Adam; Trzybiński, Damian","Influence of halogen size on the supramolecular and energy landscape of the THF solvates of the halogen derivatives of dianthranilide","CrystEngComm","2020","","","","","10.1039/D0CE00525H","","x-ray","1.54184","CuKα","","0.0755","0.0617","","","0.1646","0.1764","","","","","","1.05","","","","has coordinates","254849","2020-10-21","18:00:00",""
"7241007","20.3062","0.0006","10.4583","0.0003","11.1201","0.0004","90","","102.196","0.003","90","","2308.26","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 I2 N2 O4 -","- C22 H24 I2 N2 O4 -","- C88 H96 I8 N8 O16 -","4","1","","Bieszczad, Bartosz; Pawlędzio, Sylwia; Polak, Katarzyna; Antonowicz, Jerzy; Mieczkowski, Adam; Trzybiński, Damian","Influence of halogen size on the supramolecular and energy landscape of the THF solvates of the halogen derivatives of dianthranilide","CrystEngComm","2020","","","","","10.1039/D0CE00525H","","x-ray","1.54184","CuKα","","0.0557","0.048","","","0.1271","0.1363","","","","","","1.041","","","","has coordinates","254849","2020-10-21","18:00:00",""
"7241008","10.6612","0.0003","20.509","0.0005","14.3063","0.0003","90","","90.046","0.002","90","","3128.08","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 F2 N2 O3 -","- C18 H16 F2 N2 O3 -","- C144 H128 F16 N16 O24 -","8","2","","Bieszczad, Bartosz; Pawlędzio, Sylwia; Polak, Katarzyna; Antonowicz, Jerzy; Mieczkowski, Adam; Trzybiński, Damian","Influence of halogen size on the supramolecular and energy landscape of the THF solvates of the halogen derivatives of dianthranilide","CrystEngComm","2020","","","","","10.1039/D0CE00525H","","x-ray","1.54184","CuKα","","0.07","0.0518","","","0.1452","0.1642","","","","","","1.052","","","","has coordinates","254849","2020-10-21","18:00:00",""
"7241009","10.77295","0.00012","10.79851","0.00009","31.7818","0.0004","90","","90","","90","","3697.23","0.07","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Br2 N2 O3 -","- C18 H16 Br2 N2 O3 -","- C144 H128 Br16 N16 O24 -","8","1","","Bieszczad, Bartosz; Pawlędzio, Sylwia; Polak, Katarzyna; Antonowicz, Jerzy; Mieczkowski, Adam; Trzybiński, Damian","Influence of halogen size on the supramolecular and energy landscape of the THF solvates of the halogen derivatives of dianthranilide","CrystEngComm","2020","","","","","10.1039/D0CE00525H","","x-ray","1.54184","CuKα","","0.0613","0.0576","","","0.1538","0.1575","","","","","","1.079","","","","has coordinates,has disorder","254849","2020-10-21","18:00:00",""
"7241010","9.344","0.0005","12.1505","0.0005","12.603","0.0005","82.8769","0.0014","69.9436","0.001","86.0352","0.0014","1333.18","0.1","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H27 N O -","- C37 H27 N O -","- C74 H54 N2 O2 -","2","1","","Liang, Chunshuang","Organic polymorphs based on an AEE-active tetraphenylethene salicylaldehyde Schiff-base derivative: the effect of molecular conformation on luminescence properties","RSC Advances","2020","10","48","29043","29050","10.1039/D0RA00118J","","","0.71073","MoKα","","0.0525","0.0437","","","0.1167","0.1241","","","","","","1.067","","","","has coordinates","258081","2020-10-21","18:00:00",""
"7241011","7.1407","0.0006","10.651","0.0008","19.6362","0.0017","74.506","0.003","87.202","0.003","72.731","0.003","1373.5","0.2","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H27 N O -","- C37 H27 N O -","- C74 H54 N2 O2 -","2","1","","Liang, Chunshuang","Organic polymorphs based on an AEE-active tetraphenylethene salicylaldehyde Schiff-base derivative: the effect of molecular conformation on luminescence properties","RSC Advances","2020","10","48","29043","29050","10.1039/D0RA00118J","","","0.71073","MoKα","","0.118","0.0515","","","0.1222","0.1601","","","","","","1.009","","","","has coordinates","258081","2020-10-21","18:00:00",""
"7241012","12.10003","0.00014","12.07847","0.00016","26.6169","0.0003","90","","94.3409","0.001","90","","3878.9","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 N O -","- C26 H17 N O -","- C208 H136 N8 O8 -","8","2","","Jia, Qianfa; Lan, Yunfei; Ye, Xin; Lin, Yinhe; Ren, Qiao","Direct access to multi-functionalized benzenes via [4 + 2] annulation of α-cyano-β-methylenones and α,β-unsaturated aldehydes","RSC Advances","2020","10","49","29171","29174","10.1039/D0RA05251E","","","1.54184","CuKα","","0.0643","0.0611","","","0.1669","0.1699","","","","","","1.058","","","","has coordinates","258122","2020-10-21","18:00:00",""
"7241013","10.491","0.0007","14.8834","0.001","15.4659","0.001","115.059","0.005","90.642","0.005","94.524","0.006","2178.1","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H136 Co2 N8 O12 S4 Si4 -","- C60 H136 Co2 N8 O12 S4 Si4 -","- C60 H136 Co2 N8 O12 S4 Si4 -","1","0.5","","Kowalkowska-Zedler, Daria; Nedelko, Natalia; Kazimierczuk, Katarzyna; Aleshkevych, Pavlo; Łyszczek, Renata; Ślawska-Waniewska, Anna; Pladzyk, Agnieszka","Novel tetrahedral cobalt(ii) silanethiolates: structures and magnetism","RSC Advances","2020","10","49","29100","29108","10.1039/D0RA06036D","","x-ray","0.71073","MoKα","","0.1025","0.0558","","","0.1428","0.2017","","","","","","1.048","","","","has coordinates","258124","2020-10-21","18:00:00",""
"7241014","16.32","0.004","9.3357","0.0017","28.884","0.008","90","","94.68","0.02","90","","4386.1","1.8","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H70 Co N4 O6 S2 Si2 -","- C34 H70 Co N4 O6 S2 Si2 -","- C136 H280 Co4 N16 O24 S8 Si8 -","4","0.5","","Kowalkowska-Zedler, Daria; Nedelko, Natalia; Kazimierczuk, Katarzyna; Aleshkevych, Pavlo; Łyszczek, Renata; Ślawska-Waniewska, Anna; Pladzyk, Agnieszka","Novel tetrahedral cobalt(ii) silanethiolates: structures and magnetism","RSC Advances","2020","10","49","29100","29108","10.1039/D0RA06036D","","x-ray","0.71073","MoKα","","0.0967","0.0781","","","0.2245","0.2378","","","","","","1.118","","","","has coordinates","258124","2020-10-21","18:00:00",""
"7241015","33.4655","0.0011","10.0373","0.0002","27.9753","0.0008","90","","107.496","0.003","90","","8962.3","0.5","120","2","120","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C34 H76 Co N2 O6 S2 Si2 -","- C34 H76 Co N2 O6 S2 Si2 -","- C272 H608 Co8 N16 O48 S16 Si16 -","8","1","","Kowalkowska-Zedler, Daria; Nedelko, Natalia; Kazimierczuk, Katarzyna; Aleshkevych, Pavlo; Łyszczek, Renata; Ślawska-Waniewska, Anna; Pladzyk, Agnieszka","Novel tetrahedral cobalt(ii) silanethiolates: structures and magnetism","RSC Advances","2020","10","49","29100","29108","10.1039/D0RA06036D","","x-ray","0.71073","MoKα","","0.0284","0.0258","","","0.0659","0.0685","","","","","","1.06","","","","has coordinates","258124","2020-10-21","18:00:00",""
"7241016","13.8359","0.0011","18.7145","0.0015","19.6641","0.0015","104.991","0.002","99.589","0.003","104.672","0.002","4608.9","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H127 N16 O17 P S -","- C84 H127 N16 O17 P S -","- C168 H254 N32 O34 P2 S2 -","2","1","","Dey, Sandeep Kumar; Kataria, Archana; Pereira, Sybil; Harmalkar, Sarvesh S.; Mhaldar, Shashank; Gobre, Vivekanand V.; Janiak, Christoph","Selective encapsulation and extraction of hydrogenphosphate by a hydrogen bond donor tripodal receptor","CrystEngComm","2020","","","","","10.1039/D0CE00834F","","","0.71073","MoKα","","0.2072","0.1055","","","0.2184","0.268","","","","","","1.014","","","","has coordinates","255197","2020-10-21","18:00:00",""
"7241017","10.3677","0.0003","11.6016","0.0003","23.4291","0.0006","90","","90","","90","","2818.1","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N7 O4 -","- C27 H33 N7 O4 -","- C108 H132 N28 O16 -","4","1","","Dey, Sandeep Kumar; Kataria, Archana; Pereira, Sybil; Harmalkar, Sarvesh S.; Mhaldar, Shashank; Gobre, Vivekanand V.; Janiak, Christoph","Selective encapsulation and extraction of hydrogenphosphate by a hydrogen bond donor tripodal receptor","CrystEngComm","2020","","","","","10.1039/D0CE00834F","","","0.71073","MoKα","","0.104","0.0628","","","0.1756","0.2078","","","","","","1.021","","","","has coordinates","255197","2020-10-21","18:00:00",""
"7241018","9.4857","0.0004","17.0599","0.0007","18.6326","0.0008","64.282","0.002","80.544","0.002","87.541","0.002","2678.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H57 N13 O14 S2 -","- C52 H57 N13 O14 S2 -","- C104 H114 N26 O28 S4 -","2","1","","Dey, Sandeep Kumar; Kataria, Archana; Pereira, Sybil; Harmalkar, Sarvesh S.; Mhaldar, Shashank; Gobre, Vivekanand V.; Janiak, Christoph","Selective encapsulation and extraction of hydrogenphosphate by a hydrogen bond donor tripodal receptor","CrystEngComm","2020","","","","","10.1039/D0CE00834F","","","0.71073","MoKα","","0.0561","0.0502","","","0.1289","0.1355","","","","","","1.032","","","","has coordinates,has disorder","255197","2020-10-21","18:00:00",""
"7241019","9.951","0.0011","10.319","0.0012","12.614","0.0013","68.753","0.004","73.032","0.005","83.923","0.005","1154.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H14 Cd3 N2 O18 -","- C34 H14 Cd3 N2 O18 -","- C34 H14 Cd3 N2 O18 -","1","0.5","","Guo, Runzhong; Dong, Hao; Li, Peiyuan; Sun, Yi; Wang, Haiying; Liu, Hui-Yan","A multifuctional Cd(II)-based metal−organic framework with amide groups exhibiting luminescent sensing towards multiple substances","CrystEngComm","2020","","","","","10.1039/D0CE01061H","","","0.71073","MoKα","","0.0649","0.0581","","","0.1811","0.1888","","","","","","1.221","","","","has coordinates","255228","2020-10-21","18:00:00",""
"7241020","6.6912","0.0009","20.226","0.003","10.1274","0.0013","90","","90","","90","","1370.6","0.3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H8 N2 O S4 -","- C13 H8 N2 O S4 -","- C52 H32 N8 O4 S16 -","4","0.5","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.0495","0.0363","","","0.0918","0.099","","","","","","1.043","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241021","9.6303","0.0005","12.2272","0.0006","17.1845","0.0008","90","","96.342","0.002","90","","2011.12","0.17","173","2","173","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C52 H32 Au2 Co N8 S10 -","- C52 H32 Au2 Co N8 S10 -","- C52 H32 Au2 Co N8 S10 -","1","0.25","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.092","0.0782","","","0.1918","0.1999","","","","","","1.157","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241022","9.2529","0.0004","11.257","0.0005","17.247","0.0007","93.549","0.002","105.442","0.002","92.552","0.002","1724.8","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H34 Au2 Cl6 Mn N8 S10 -","- C54 H34 Au2 Cl6 Mn N8 S10 -","- C54 H34 Au2 Cl6 Mn N8 S10 -","1","0.5","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.0315","0.0268","","","0.0658","0.0681","","","","","","1.044","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241023","26.2783","0.0008","7.3186","0.0002","25.1423","0.0007","90","","99.663","0.001","90","","4766.8","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 Au N4 P S8 -","- C48 H36 Au N4 P S8 -","- C192 H144 Au4 N16 P4 S32 -","4","0.5","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.0348","0.0251","","","0.057","0.0605","","","","","","1.027","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241024","17.0312","0.0009","10.1352","0.0009","26.7022","0.0015","90","","98.85","0.003","90","","4554.3","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H16 Au N3 S4 -","- C25 H16 Au N3 S4 -","- C200 H128 Au8 N24 S32 -","8","1","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.0354","0.0293","","","0.067","0.0688","","","","","","1.088","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241025","17.2166","0.0007","24.801","0.0008","25.0137","0.0012","90","","90","","90","","10680.6","0.8","173","2","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C26 H16 Au Co N7 S8 -","- C26 H16 Au Co N7 S8 -","- C208 H128 Au8 Co8 N56 S64 -","8","0.5","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.1599","0.0876","","","0.1982","0.2338","","","","","","1.035","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241026","20.1754","0.0012","7.5445","0.0004","37.558","0.002","90","","90","","90","","5716.8","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H32 Au2 Cd2 N10 S12 -","- C54 H32 Au2 Cd2 N10 S12 -","- C216 H128 Au8 Cd8 N40 S48 -","4","0.5","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.0416","0.0278","","","0.0504","0.0539","","","","","","1.068","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241027","14.0705","0.0002","14.0407","0.0002","13.1353","0.0002","90","","92.207","0.001","90","","2593.08","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H46 Br2 N2 O2 -","- C24 H46 Br2 N2 O2 -","- C96 H184 Br8 N8 O8 -","4","1","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","1.54178","CuKα","","0.0561","0.0449","","","0.1063","0.1157","","","","","","1","","","","has coordinates,has disorder","255244","2020-10-21","18:00:00",""
"7241028","6.6197","0.0003","12.7852","0.0006","13.6584","0.0006","93.527","0.004","96.309","0.004","101.198","0.004","1123.02","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H38 Br2 N2 O2 -","- C20 H38 Br2 N2 O2 -","- C40 H76 Br4 N4 O4 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","0.71073","MoKα","","0.0641","0.0404","","","0.0817","0.0944","","","","","","1","","","","has coordinates","255244","2020-10-21","18:00:00",""
"7241029","28.3447","0.0004","8.4739","0.0001","18.2377","0.0003","90","","128.822","0.001","90","","3412.85","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H42 Br4 N8 O4 -","- C26 H34 Br4 N8 O4 -","- C104 H136 Br16 N32 O16 -","4","0.5","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","0.71073","MoKα","","0.0488","0.0347","","","0.0843","0.0913","","","","","","1.002","","","","has coordinates,has disorder","255244","2020-10-21","18:00:00",""
"7241030","7.7789","0.0002","12.379","0.0003","13.5879","0.0004","100.65","0.002","106.613","0.002","99.807","0.002","1197.13","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H90 Br4 N4 O6 -","- C42 H90 Br4 N4 O6 -","- C42 H90 Br4 N4 O6 -","1","0.5","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","0.71073","MoKα","","0.0456","0.0314","","","0.0696","0.0762","","","","","","1.001","","","","has coordinates","255244","2020-10-21","18:00:00",""
"7241031","12.0913","0.0009","12.8187","0.0012","16.5005","0.0012","78.262","0.007","69.986","0.007","68.543","0.008","2227.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H70 Br4 N4 O8 -","- C30 H62 Br4 N4 O8 -","- C60 H124 Br8 N8 O16 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","1.54178","CuKα","","0.1096","0.0712","","","0.1643","0.1879","","","","","","1.002","","","","has coordinates,has disorder","255244","2020-10-21","18:00:00",""
"7241032","29.7221","0.0003","14.609","0.0001","29.2449","0.0003","90","","92.031","0.001","90","","12690.5","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H50 Br3 N3 O7 -","- C24 H45 Br3 N3 O7 -","- C384 H720 Br48 N48 O112 -","16","2","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","1.54178","CuKα","","0.0626","0.056","","","0.1806","0.1924","","","","","","1.002","","","","has coordinates,has disorder","255244","2020-10-21","18:00:00",""
"7241033","16.7042","0.0001","25.8169","0.0001","18.0462","0.0001","90","","105.02","","90","","7516.55","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H64 Br3 N3 O5 -","- C27 H59 Br3 N3 O5 -","- C216 H472 Br24 N24 O40 -","8","2","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","1.54178","CuKα","","0.1255","0.1152","","","0.2551","0.2613","","","","","","1.659","","","","has coordinates,has disorder","255244","2020-10-21","18:00:00",""
"7241034","21.2861","0.0005","13.4278","0.0003","12.7119","0.0003","90","","115.582","0.002","90","","3277.2","0.14","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H56 Br3 N3 O4 -","- C27 H56 Br3 N3 O4 -","- C108 H224 Br12 N12 O16 -","4","1","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","0.71073","MoKα","","0.0275","0.024","","","0.0536","0.0551","","","","","","1.001","","","","has coordinates","255244","2020-10-21","18:00:00",""
"7241035","12.9316","0.0001","13.8145","0.0001","21.706","0.0002","90","","90.973","0.001","90","","3877.08","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H68 Br3 N3 O4 -","- C33 H64 Br3 N3 O4 -","- C132 H256 Br12 N12 O16 -","4","1","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","1.54178","CuKα","","0.0691","0.0599","","","0.1531","0.1633","","","","","","1.002","","","","has coordinates,has disorder","255244","2020-10-21","18:00:00",""
"7241036","9.6181","0.0003","13.5685","0.0004","15.9089","0.0004","80.8233","0.0013","87.5873","0.0013","81.6607","0.0013","2027.54","0.1","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C59 H38 O5 -","- C59 H38 O5 -","- C118 H76 O10 -","2","1","","Yang, Lu; Qin, Lan; Dou, Yong; Zhang, Daopeng; Zhou, Zhen; Wang, Suna","High conversion and selectivity of photodimerization under air conditions by supramolecular oxidation restraint within a metallocage-like nanoreactor","CrystEngComm","2020","","","","","10.1039/D0CE00678E","","","0.71073","MoKα","","0.074","0.0517","","","0.1449","0.1545","","","","","","1.089","","","","has coordinates","255245","2020-10-21","18:00:00",""
"7241037","7.8456","0.0003","8.3213","0.0003","9.5951","0.0003","93.0871","0.001","113.677","0.001","114.38","0.0009","504.1","0.03","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 O2 -","- C30 H20 O2 -","- C30 H20 O2 -","1","0.5","","Yang, Lu; Qin, Lan; Dou, Yong; Zhang, Daopeng; Zhou, Zhen; Wang, Suna","High conversion and selectivity of photodimerization under air conditions by supramolecular oxidation restraint within a metallocage-like nanoreactor","CrystEngComm","2020","","","","","10.1039/D0CE00678E","","","0.71073","MoKα","","0.0398","0.0387","","","0.1018","0.1026","","","","","","1.038","","","","has coordinates","255245","2020-10-21","18:00:00",""
"7241038","8.6346","0.0001","11.4963","0.0001","11.874","0.0002","65.995","0.001","87.948","0.001","71.81","0.001","1017.27","0.03","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 Au Cl2 P -","- C18 H30 Au Cl2 P -","- C36 H60 Au2 Cl4 P2 -","2","1","","Ingner, Fredric J. L.; Giustra, Zachary X.; Novosedlik, Sebastian; Orthaber, Andreas; Gates, Paul J.; Dyrager, Christine; Pilarski, Lukasz T.","Mechanochemical synthesis of (hetero)aryl Au(i) complexes","Green Chemistry","2020","22","17","5648","5655","10.1039/D0GC02263B","","x-ray","0.71073","MoKα","","0.0552","0.0538","","","0.1384","0.1395","","","","","","1.127","","","","has coordinates","295866","2024-11-11","13:51:55",""
"7241039","8.6986","0.001","18.586","0.002","12.1084","0.0013","90","","90.975","0.002","90","","1957.3","0.4","170","","170","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H29 Au Cl F N P -","- C17 H29 Au Cl F N P -","- C68 H116 Au4 Cl4 F4 N4 P4 -","4","1","","Ingner, Fredric J. L.; Giustra, Zachary X.; Novosedlik, Sebastian; Orthaber, Andreas; Gates, Paul J.; Dyrager, Christine; Pilarski, Lukasz T.","Mechanochemical synthesis of (hetero)aryl Au(i) complexes","Green Chemistry","2020","22","17","5648","5655","10.1039/D0GC02263B","","","0.71073","MoKα","","0.0441","0.0322","","","0.0719","0.0745","","","","","","1.067","","","","has coordinates","257592","2020-10-21","18:00:00",""
"7241040","6.0757","0.0004","16.4664","0.0011","11.9301","0.0008","90","","98.44","0.002","90","","1180.62","0.14","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 O2 -","- C34 H24 O2 -","- C68 H48 O4 -","2","0.5","","Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis","Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.","Physical chemistry chemical physics : PCCP","2020","22","35","19855","19863","10.1039/d0cp03109g","","","0.71073","MoKα","","0.2296","0.13","","","0.3559","0.4323","","","","","","1.141","","","","has coordinates","258988","2020-11-06","13:20:07",""
"7241041","10.3715","0.0004","10.426","0.0003","12.2917","0.0004","92.1911","0.0017","108.336","0.0017","108.655","0.0017","1181.03","0.07","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H24 O2 -","- C34 H24 O2 -","- C68 H48 O4 -","2","1","","Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis","Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.","Physical chemistry chemical physics : PCCP","2020","22","35","19855","19863","10.1039/d0cp03109g","","","1.54178","CuKα","","0.0555","0.0452","","","0.1261","0.1349","","","","","","1.063","","","","has coordinates","258988","2020-11-06","13:20:07",""
"7241042","31.5547","0.0016","6.137","0.0002","17.2488","0.0009","90","","119.126","0.0016","90","","2917.9","0.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C41 H32 O2 -","- C41 H32 O2 -","- C164 H128 O8 -","4","0.5","","Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis","Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.","Physical chemistry chemical physics : PCCP","2020","22","35","19855","19863","10.1039/d0cp03109g","","","0.71073","MoKα","","0.0913","0.0646","","","0.1629","0.1882","","","","","","1.031","","","","has coordinates,has disorder","258988","2020-11-06","13:20:07",""
"7241043","6.0678","0.0006","16.401","0.002","11.9151","0.0011","90","","98.556","0.007","90","","1172.6","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H24 O2 -","- C34 H24 O2 -","- C68 H48 O4 -","2","1","","Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis","Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.","Physical chemistry chemical physics : PCCP","2020","22","35","19855","19863","10.1039/d0cp03109g","","","0.71073","MoKα","","0.1203","0.0698","","","0.1546","0.1928","","","","","","1.028","","","","has coordinates,has disorder","258988","2020-11-06","13:20:07",""
"7241044","31.3116","0.0019","6.1363","0.0003","17.3304","0.0011","90","","118.835","0.004","90","","2917","0.3","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H29 Cl O2 -","- C40 H29 Cl O2 -","- C160 H116 Cl4 O8 -","4","0.5","","Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis","Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.","Physical chemistry chemical physics : PCCP","2020","22","35","19855","19863","10.1039/d0cp03109g","","","1.54178","CuKα","","0.0915","0.0655","","","0.1631","0.1791","","","","","","1.077","","","","has coordinates,has disorder","258988","2020-11-06","13:20:07",""
"7241045","9.6293","0.0003","11.7366","0.0004","13.3435","0.0004","95.882","0.002","92.369","0.002","91.115","0.002","1498.37","0.08","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H58 Mn2 N6 -","- C24 H58 Mn2 N6 -","- C48 H116 Mn4 N12 -","2","1","","Lee, Sunju; Lee, Ga Yeon; Kim, Chang Gyoun; Chung, Taek-Mo; Park, Bo Keun","Heteroleptic manganese compounds as potential precursors for manganese based thin films and nanomaterials","RSC Advances","2020","10","50","29659","29667","10.1039/D0RA05225F","","","0.71073","MoKα","","0.0525","0.0492","","","0.1264","0.1286","","","","","","1.063","","","","has coordinates","258071","2020-10-21","18:00:00",""
"7241046","12.7642","0.0005","21.0617","0.0009","17.1722","0.0008","90","","90.417","0.002","90","","4616.4","0.3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H76 Mn2 N2 O9 -","- C40 H76 Mn2 N2 O9 -","- C160 H304 Mn8 N8 O36 -","4","1","","Lee, Sunju; Lee, Ga Yeon; Kim, Chang Gyoun; Chung, Taek-Mo; Park, Bo Keun","Heteroleptic manganese compounds as potential precursors for manganese based thin films and nanomaterials","RSC Advances","2020","10","50","29659","29667","10.1039/D0RA05225F","","","0.71073","MoKα","","0.1058","0.0951","","","0.2545","0.2593","","","","","","1.091","","","","has coordinates","258071","2020-10-21","18:00:00",""
"7241047","10.3578","0.0003","18.3221","0.0005","11.8508","0.0003","90","","111.785","0.001","90","","2088.39","0.1","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H70 Cl2 Mn2 N4 O4 -","- C34 H70 Cl2 Mn2 N4 O4 -","- C68 H140 Cl4 Mn4 N8 O8 -","2","0.5","","Lee, Sunju; Lee, Ga Yeon; Kim, Chang Gyoun; Chung, Taek-Mo; Park, Bo Keun","Heteroleptic manganese compounds as potential precursors for manganese based thin films and nanomaterials","RSC Advances","2020","10","50","29659","29667","10.1039/D0RA05225F","","","0.71073","MoKα","","0.0304","0.0253","","","0.0605","0.0635","","","","","","1.08","","","","has coordinates","258071","2020-10-21","18:00:00",""
"7241048","10.1761","0.0004","9.1185","0.0004","21.7996","0.0009","90","","93.97","0.002","90","","2017.95","0.15","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H68 Mn2 N2 O6 -","- C34 H68 Mn2 N2 O6 -","- C68 H136 Mn4 N4 O12 -","2","0.5","","Lee, Sunju; Lee, Ga Yeon; Kim, Chang Gyoun; Chung, Taek-Mo; Park, Bo Keun","Heteroleptic manganese compounds as potential precursors for manganese based thin films and nanomaterials","RSC Advances","2020","10","50","29659","29667","10.1039/D0RA05225F","","","0.71073","MoKα","","0.0576","0.0479","","","0.1392","0.1483","","","","","","1.052","","","","has coordinates,has disorder","258071","2020-10-21","18:00:00",""
"7241049","17.4287","0.00048","15.29046","0.00051","13.21952","0.0005","90","","90","","90","","3522.9","0.2","","","298","","","","","","","","","4","P n n a","-P 2a 2bc","52","","","CAU-50","- C36 Fe3 O12 Sc2 -","- C36 Fe3 O12 Sc2 -","- C144 Fe12 O48 Sc8 -","4","0.5","","Benecke, Jannick; Svensson Grape, Erik; Engesser, Tobias; Inge, Andrew Ken; Reinsch, Helge","Observation of Three Different Linker Conformers in a Scandium Ferrocenedicarboxylate Coordination Polymer","CrystEngComm","2020","","","","","10.1039/D0CE00986E","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","255279","2020-10-21","18:00:00",""
"7241050","13.338","0.003","23.519","0.005","19.056","0.004","90","","90","","90","","5978","2","113.15","","113.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H6 N3 O5 Zn -","- C12 H6 N3 O5 Zn -","- C96 H48 N24 O40 Zn8 -","8","1","","Liu, Xiao-Ting; Chen, Si-Si; Li, Si-Miao; Nie, Hong-Xiang; Feng, Yao-Qing; Fan, Yi-Ning; Yu, Mei-Hui; Chang, Ze; Bu, Xian-He","Structural tuning of Zn(ii)-MOFs based on pyrazole functionalized carboxylic acid ligands for organic dye adsorption","CrystEngComm","2020","","","","","10.1039/D0CE00798F","","","0.71073","MoKα","","0.0831","0.0724","","","0.2159","0.229","","","","","","1.1","","","","has coordinates","255280","2020-10-21","18:00:00",""
"7241051","20.5369","0.0012","20.5369","0.0012","34.603","0.002","90","","90","","120","","12639","1.3","273","2","273.15","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C22 H11 N5 O7 Zn2 -","- C22 H11 N5 O7 Zn2 -","- C132 H66 N30 O42 Zn12 -","6","1","","Liu, Xiao-Ting; Chen, Si-Si; Li, Si-Miao; Nie, Hong-Xiang; Feng, Yao-Qing; Fan, Yi-Ning; Yu, Mei-Hui; Chang, Ze; Bu, Xian-He","Structural tuning of Zn(ii)-MOFs based on pyrazole functionalized carboxylic acid ligands for organic dye adsorption","CrystEngComm","2020","","","","","10.1039/D0CE00798F","","","1.54178","CuKα","","0.1171","0.0616","","","0.1523","0.1832","","","","","","0.86","","","","has coordinates","255280","2020-10-21","18:00:00",""
"7241052","13.23734","0.00018","7.41493","0.0001","18.8284","0.0002","90","","92.6332","0.0012","90","","1846.13","0.04","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H7 Fe2 N O8 S2 -","- C16 H7 Fe2 N O8 S2 -","- C64 H28 Fe8 N4 O32 S8 -","4","1","","Aguado, Sergio; Casarrubios, Luis; Ramírez de Arellano, Carmen; Sierra, Miguel A.","Revisiting the photochemical synthesis of [FeFe]-hydrogenase mimics: reaction optimization, mechanistic study and electrochemical behaviour","RSC Advances","2020","10","50","29855","29867","10.1039/D0RA06002J","","","0.71073","MoKα","","0.0354","0.027","","","0.0573","0.061","","","","","","1.028","","","","has coordinates","258070","2020-10-21","18:00:00",""
"7241053","4.7905","0.0003","10.1855","0.0007","11.2559","0.0009","78.836","0.001","80.287","0.002","80.584","0.002","526.21","0.06","170","2","170","2","","","","","","","","5","P -1","-P 1","2","Isoquinoline+Trifluoroacetate","1","","- C11 H8 F3 N O2 -","- C11 H8 F3 N O2 -","- C22 H16 F6 N2 O4 -","2","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.1334","0.0721","","","0.1429","0.1688","","","","","","1.019","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241054","7.8573","0.0009","11.828","0.0015","16.5782","0.0019","90","","96.242","0.003","90","","1531.6","0.3","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Isoquinoline+Benzenesulfonate","3","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C60 H52 N4 O12 S4 -","4","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.1027","0.0824","","","0.1976","0.2104","","","","","","1.072","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241055","6.3247","0.0002","7.9047","0.0004","10.1134","0.0005","103.479","0.002","96.829","0.003","95.388","0.003","484.31","0.04","170","2","170","2","","","","","","","","5","P -1","-P 1","2","Acridine+Dibromoacetate","8","","- C17 H13 Br4 N O4 -","- C17 H13 Br4 N O4 -","- C17 H13 Br4 N O4 -","1","0.5","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0521","0.0407","","","0.0904","0.0955","","","","","","1.031","","","","has coordinates,has disorder","258123","2020-10-21","18:00:00",""
"7241056","6.0822","0.0003","7.8975","0.0004","9.9912","0.0019","104.058","0.003","96.799","0.002","95.159","0.003","458.75","0.09","170","2","170","2","","","","","","","","5","P -1","-P 1","2","Acridine+Dichloroacetate","7","","- C17 H13 Cl4 N O4 -","- C17 H13 Cl4 N O4 -","- C17 H13 Cl4 N O4 -","1","0.5","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0519","0.0457","","","0.1186","0.1209","","","","","","1.013","","","","has coordinates,has disorder","258123","2020-10-21","18:00:00",""
"7241057","7.2478","0.0004","8.8083","0.0003","11.5321","0.0006","69.55","0.001","73.313","0.002","67.418","0.001","626.9","0.05","170","2","170","2","","","","","","","","5","P -1","-P 1","2","Acridine+Chloroacetate","9","","- C15 H12 Cl N O2 -","- C15 H12 Cl N O2 -","- C30 H24 Cl2 N2 O4 -","2","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0699","0.0503","","","0.116","0.1265","","","","","","1.023","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241058","7.4888","0.0002","12.3779","0.0004","19.0995","0.0007","90","","97.448","0.002","90","","1755.5","0.1","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Benzoquinoline+Benzenesulfonate","12","","- C19 H15 N O3 S -","- C19 H15 N O3 S -","- C76 H60 N4 O12 S4 -","4","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.087","0.0582","","","0.1415","0.1594","","","","","","1.025","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241059","6.8497","0.0004","9.3744","0.0008","12.0307","0.001","76.517","0.003","74.637","0.005","79.462","0.005","718.31","0.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","Acridine+Trichloroacetate","5","","- C15 H10 Cl3 N O2 -","- C15 H10 Cl3 N O2 -","- C30 H20 Cl6 N2 O4 -","2","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0754","0.0478","","","0.0975","0.1073","","","","","","1.036","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241060","9.5335","0.0003","18.6879","0.0005","7.1523","0.0002","90","","96.999","0.002","90","","1264.77","0.06","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Acridine+Trifluoroacetate","4","","- C15 H10 F3 N O2 -","- C15 H10 F3 N O2 -","- C60 H40 F12 N4 O8 -","4","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0613","0.0491","","","0.1179","0.1256","","","","","","1.04","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241061","10.1155","0.0006","11.3509","0.0004","11.1128","0.0005","90","","111.011","0.002","90","","1191.13","0.1","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","isoquinolinium trichloroacatate","","","- C11 H8 Cl3 N O2 -","- C11 H8 Cl3 N O2 -","- C44 H32 Cl12 N4 O8 -","4","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0951","0.0548","","","0.1065","0.1205","","","","","","1.047","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241062","8.4155","0.0003","11.3195","0.0005","19.7432","0.0008","90","","92.939","0.002","90","","1878.25","0.13","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Benzoquinoline+Dichloroacetate","13","","- C17 H13 Cl4 N O4 -","- C17 H13 Cl4 N O4 -","- C68 H52 Cl16 N4 O16 -","4","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0824","0.0501","","","0.1092","0.1239","","","","","","1.011","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241063","7.1261","0.0002","9.7581","0.0004","22.8711","0.0008","90","","90.978","0.002","90","","1590.16","0.1","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Acridine+Benzenesulfonate","6","","- C19 H15 N O3 S -","- C19 H15 N O3 S -","- C76 H60 N4 O12 S4 -","4","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0651","0.0479","","","0.1116","0.1209","","","","","","1.036","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241064","6.691","0.0002","24.1354","0.0007","18.5026","0.0005","90","","92.611","0.002","90","","2984.88","0.15","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Benzoquinoline+Trichloroacetate","11","","- C15 H10 Cl3 N O2 -","- C15 H10 Cl3 N O2 -","- C120 H80 Cl24 N8 O16 -","8","2","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0816","0.0622","","","0.1612","0.1727","","","","","","1.076","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241065","10.0948","0.001","5.0687","0.0003","24.9448","0.0019","90","","90.411","0.003","90","","1276.33","0.18","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Benzoquinoline+Trifluoroacetate","10","","- C15 H10 F3 N O2 -","- C15 H10 F3 N O2 -","- C60 H40 F12 N4 O8 -","4","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.1101","0.0584","","","0.1364","0.1628","","","","","","1.022","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241066","4.3451","0.0002","19.0711","0.0005","23.2876","0.0006","90","","90","","90","","1929.75","0.11","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Benzoquinoline+Dibromoacetate","14","","- C17 H13 Br4 N O4 -","- C17 H13 Br4 N O4 -","- C68 H52 Br16 N4 O16 -","4","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0348","0.0277","","","0.0571","0.0598","","","","","","1.023","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241067","10.8902","0.0017","18.0847","0.0011","12.7594","0.0012","90","","110.79","0.015","90","","2349.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Cu N3 O4 -","- C20 H13 Cu N3 O4 -","- C80 H52 Cu4 N12 O16 -","4","1","","Wei, Wenchang; Liu, Zheng; Wei, Runzhi; Han, Guo-Cheng; Liang, Chuxin","Synthesis of MOFs/GO composite for corrosion resistance application on carbon steel","RSC Advances","2020","10","50","29923","29934","10.1039/D0RA05690A","","","0.71073","MoKα","","0.1738","0.0776","","","0.192","0.2463","","","","","","0.944","","","","has coordinates","258072","2020-10-21","18:00:00",""
"7241068","4.8722","0.0002","16.6989","0.0006","19.354","0.0006","90","","90","","90","","1574.65","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 Mn N2 O5 -","- C20 H12 Mn N2 O5 -","- C80 H48 Mn4 N8 O20 -","4","1","","Wei, Wenchang; Liu, Zheng; Wei, Runzhi; Han, Guo-Cheng; Liang, Chuxin","Synthesis of MOFs/GO composite for corrosion resistance application on carbon steel","RSC Advances","2020","10","50","29923","29934","10.1039/D0RA05690A","","","0.71073","MoKα","","0.0643","0.0435","","","0.0795","0.0883","","","","","","1.035","","","","has coordinates","258072","2020-10-21","18:00:00",""
"7241069","18.4741","0.0012","10.7522","0.0012","19.8687","0.0014","90","","110.119","0.008","90","","3705.8","0.6","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C56 H66 Eu N8 O28 S2 -","- C56 H66 Eu N8 O28 S2 -","- C112 H132 Eu2 N16 O56 S4 -","2","0.5","","Coban, Mustafa Burak; Yahsi, Yasemin; Gungor, Elif; Kuru Alpaslan, Fatma; Kara Subasat, Hulya","Eu@PMMA and Sm@PMMA nanofibers prepared by electrospinning: structural, morphology, photoluminescence and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00507J","","x-ray","0.71073","MoKα","","0.1079","0.0606","","","0.1104","0.1283","","","","","","0.95","","","","has coordinates","255332","2020-10-21","18:00:00",""
"7241070","9.0648","0.0004","10.3588","0.0006","18.876","0.001","78.99","0.005","77.823","0.004","80.206","0.004","1685.06","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 N2 O21 S2 Sm -","- C26 H28 N2 O21 S2 Sm -","- C52 H56 N4 O42 S4 Sm2 -","2","1","","Coban, Mustafa Burak; Yahsi, Yasemin; Gungor, Elif; Kuru Alpaslan, Fatma; Kara Subasat, Hulya","Eu@PMMA and Sm@PMMA nanofibers prepared by electrospinning: structural, morphology, photoluminescence and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00507J","","","0.71073","MoKα","","0.0521","0.0401","","","0.0657","0.0694","","","","","","1.01","","","","has coordinates","255332","2020-10-21","18:00:00",""
"7241071","10.3025","0.0011","15.7894","0.0017","15.9352","0.0016","90","","92.997","0.004","90","","2588.6","0.5","170","2","169.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H19 F6 N3 -","- C34 H19 F6 N3 -","- C136 H76 F24 N12 -","4","1","","Wang, Zhichao; Li, Hanjie; Peng, Zhixing; Wang, Zaibin; Wang, Yanguang; Lu, Ping","Preparation and photophysical properties of quinazoline-based fluorophores","RSC Advances","2020","10","51","30297","30303","10.1039/D0RA05701K","","","0.71073","MoKα","","0.0618","0.0494","","","0.1324","0.1422","","","","","","1.036","","","","has coordinates","257976","2020-10-21","18:00:00",""
"7241072","10.437","0.004","11.159","0.004","26.443","0.008","90","","93.92","0.012","90","","3072.5","1.9","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H21 Cl2 F6 N3 O -","- C35 H21 Cl2 F6 N3 O -","- C140 H84 Cl8 F24 N12 O4 -","4","1","","Wang, Zhichao; Li, Hanjie; Peng, Zhixing; Wang, Zaibin; Wang, Yanguang; Lu, Ping","Preparation and photophysical properties of quinazoline-based fluorophores","RSC Advances","2020","10","51","30297","30303","10.1039/D0RA05701K","","","0.71073","MoKα","","0.0639","0.0541","","","0.1373","0.1463","","","","","","1.052","","","","has coordinates","257976","2020-10-21","18:00:00",""
"7241073","9.459","0.003","12.647","0.003","13.633","0.003","92.321","0.011","107.307","0.012","92.887","0.013","1552.4","0.7","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H21 F6 N3 -","- C34 H21 F6 N3 -","- C68 H42 F12 N6 -","2","1","","Wang, Zhichao; Li, Hanjie; Peng, Zhixing; Wang, Zaibin; Wang, Yanguang; Lu, Ping","Preparation and photophysical properties of quinazoline-based fluorophores","RSC Advances","2020","10","51","30297","30303","10.1039/D0RA05701K","","","0.71073","MoKα","","0.0678","0.0622","","","0.1738","0.1796","","","","","","1.064","","","","has coordinates","257976","2020-10-21","18:00:00",""
"7241074","9.488","0.003","9.778","0.003","16.834","0.006","105.688","0.017","97.397","0.017","94.639","0.012","1480.1","0.9","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H25 F6 N3 O2 -","- C36 H25 F6 N3 O2 -","- C72 H50 F12 N6 O4 -","2","1","","Wang, Zhichao; Li, Hanjie; Peng, Zhixing; Wang, Zaibin; Wang, Yanguang; Lu, Ping","Preparation and photophysical properties of quinazoline-based fluorophores","RSC Advances","2020","10","51","30297","30303","10.1039/D0RA05701K","","","0.71073","MoKα","","0.051","0.0467","","","0.1205","0.1248","","","","","","1.028","","","","has coordinates","257976","2020-10-21","18:00:00",""
"7241075","9.7723","0.0006","12.896","0.0009","13.7128","0.001","104.309","0.006","109.946","0.006","96.773","0.005","1534.8","0.2","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H47 Mg3 N5 O17 S6 -","- C44.9994 H46.9986 Mg3 N4.9998 O17 S6 -","- C44.9994 H46.9986 Mg3 N4.9998 O17 S6 -","1","0.5","","Dubskikh, Vadim A.; Lysova , Anna; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.","Topological polymorphism and temperature-driven topotactical transitions of metal-organic coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE01045F","","x-ray","0.71073","MoKα","","0.0683","0.0602","","","0.1816","0.1868","","","","","","1.088","","","","has coordinates,has disorder","255434","2020-10-21","18:00:00",""
"7241076","18.7842","0.0006","14.8469","0.0004","19.2101","0.0005","90","","104.519","0.003","90","","5186.4","0.3","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Mg3 N4 O16 S6 -","- C42 H40 Mg3 N4 O16 S6 -","- C168 H160 Mg12 N16 O64 S24 -","4","0.5","","Dubskikh, Vadim A.; Lysova , Anna; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.","Topological polymorphism and temperature-driven topotactical transitions of metal-organic coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE01045F","","x-ray","0.71073","MoKα","","0.0546","0.0495","","","0.1383","0.1415","","","","","","1.04","","","","has coordinates,has disorder","255434","2020-10-21","18:00:00",""
"7241077","14.0679","0.0007","13.5283","0.0007","12.1868","0.0006","90","","98.839","0.005","90","","2291.8","0.2","102","4","102","4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cd N7 O4 -","- C15 H11 Cd N7 O4 -","- C60 H44 Cd4 N28 O16 -","4","1","","Zhu, Gui-Ying; Liu, Zhenliang; Wang, Jia; Niu, Xue; Wang, Teng; Jin, Guo-Xia; Ma, Jian-Ping","Syntheses of four porous 3-D Cd(ii) metal‒organic frameworks from a new multidentate ligand 5-(imidazol-1-yl)-N′-(pyridin-4-ylmethylene) nicotinohydrazide and their characterization and adsorption properties","RSC Advances","2020","10","51","30650","30655","10.1039/D0RA05131D","","x-ray","0.71073","MoKα","","0.038","0.0313","","","0.0685","0.0717","","","","","","1.0255","","","","has coordinates","257977","2020-10-21","18:00:00",""
"7241078","14.1942","0.0003","13.8641","0.0003","11.4559","0.0003","90","","100.148","0.002","90","","2219.14","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cd Cl N6 O -","- C15 H11 Cd Cl N6 O -","- C60 H44 Cd4 Cl4 N24 O4 -","4","1","","Zhu, Gui-Ying; Liu, Zhenliang; Wang, Jia; Niu, Xue; Wang, Teng; Jin, Guo-Xia; Ma, Jian-Ping","Syntheses of four porous 3-D Cd(ii) metal‒organic frameworks from a new multidentate ligand 5-(imidazol-1-yl)-N′-(pyridin-4-ylmethylene) nicotinohydrazide and their characterization and adsorption properties","RSC Advances","2020","10","51","30650","30655","10.1039/D0RA05131D","","x-ray","0.71073","MoKα","","0.0298","0.025","","","0.0518","0.0536","","","","","","1.0067","","","","has coordinates,has disorder","257977","2020-10-21","18:00:00",""
"7241079","14.1595","0.0007","13.7222","0.0009","11.8323","0.0007","90","","100.171","0.005","90","","2262.9","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Br Cd N6 O -","- C15 H11 Br Cd N6 O -","- C60 H44 Br4 Cd4 N24 O4 -","4","1","","Zhu, Gui-Ying; Liu, Zhenliang; Wang, Jia; Niu, Xue; Wang, Teng; Jin, Guo-Xia; Ma, Jian-Ping","Syntheses of four porous 3-D Cd(ii) metal‒organic frameworks from a new multidentate ligand 5-(imidazol-1-yl)-N′-(pyridin-4-ylmethylene) nicotinohydrazide and their characterization and adsorption properties","RSC Advances","2020","10","51","30650","30655","10.1039/D0RA05131D","","x-ray","1.54178","CuKα","","0.0392","0.0369","","","0.087","0.0887","","","","","","1.0424","","","","has coordinates,has disorder","257977","2020-10-21","18:00:00",""
"7241080","13.9866","0.0006","13.6934","0.0007","12.088","0.0007","90","","99.393","0.005","90","","2284.1","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cd I N6 O -","- C15 H11 Cd I N6 O -","- C60 H44 Cd4 I4 N24 O4 -","4","1","","Zhu, Gui-Ying; Liu, Zhenliang; Wang, Jia; Niu, Xue; Wang, Teng; Jin, Guo-Xia; Ma, Jian-Ping","Syntheses of four porous 3-D Cd(ii) metal‒organic frameworks from a new multidentate ligand 5-(imidazol-1-yl)-N′-(pyridin-4-ylmethylene) nicotinohydrazide and their characterization and adsorption properties","RSC Advances","2020","10","51","30650","30655","10.1039/D0RA05131D","","x-ray","0.71073","MoKα","","0.0766","0.0611","","","0.1621","0.1732","","","","","","0.9964","","","","has coordinates","257977","2020-10-21","18:00:00",""
"7241081","8.7108","0.0004","9.1324","0.0004","14.1005","0.0006","100.068","0.004","92.632","0.004","111.204","0.004","1022.35","0.09","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H6 N O10 Os3 -","- C17 H6 N O10 Os3 -","- C34 H12 N2 O20 Os6 -","2","1","","Joy, Md. Tuhinur R.; Roknuzzaman,; Hossain, Md. Emdad; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.","Reactions of triosmium and triruthenium clusters with 2-ethynylpyridine: new modes for alkyne C‒C bond coupling and C‒H bond activation","RSC Advances","2020","10","51","30671","30682","10.1039/D0RA05393G","","x-ray","0.71073","MoKα","","0.0294","0.0269","","","0.0623","0.0641","","","","","","1.017","","","","has coordinates","257975","2020-10-21","18:00:00",""
"7241082","17.575","0.004","8.329","0.002","30.267","0.006","90","","96.45","0.03","90","","4402.5","1.7","193","1","193","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17.5 H5 Cl N O11 Os3 -","- C17.5 H5 Cl N O11 Os3 -","- C140 H40 Cl8 N8 O88 Os24 -","8","1","","Joy, Md. Tuhinur R.; Roknuzzaman,; Hossain, Md. Emdad; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.","Reactions of triosmium and triruthenium clusters with 2-ethynylpyridine: new modes for alkyne C‒C bond coupling and C‒H bond activation","RSC Advances","2020","10","51","30671","30682","10.1039/D0RA05393G","","","0.71073","MoKα","","0.0318","0.0261","","","0.0534","0.0551","","","","","","1.135","","","","has coordinates","257975","2020-10-21","18:00:00",""
"7241083","8.187","0.005","9.641","0.006","15.139","0.009","97.65","0.03","94.716","0.017","106.3","0.02","1127.7","1.2","193","1","193","1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H10 N2 O8 Ru3 -","- C22 H10 N2 O8 Ru3 -","- C44 H20 N4 O16 Ru6 -","2","1","","Joy, Md. Tuhinur R.; Roknuzzaman,; Hossain, Md. Emdad; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.","Reactions of triosmium and triruthenium clusters with 2-ethynylpyridine: new modes for alkyne C‒C bond coupling and C‒H bond activation","RSC Advances","2020","10","51","30671","30682","10.1039/D0RA05393G","","","0.71073","MoKα","","0.0497","0.0323","","","0.0775","0.0854","","","","","","1.039","","","","has coordinates","257975","2020-10-21","18:00:00",""
"7241084","11.114","0.018","11.221","0.017","13.16","0.02","75.91","0.05","73.55","0.06","61.99","0.09","1378","4","193","1","193","1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H15 N3 O8 Ru3 -","- C29 H15 N3 O8 Ru3 -","- C58 H30 N6 O16 Ru6 -","2","1","","Joy, Md. Tuhinur R.; Roknuzzaman,; Hossain, Md. Emdad; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.","Reactions of triosmium and triruthenium clusters with 2-ethynylpyridine: new modes for alkyne C‒C bond coupling and C‒H bond activation","RSC Advances","2020","10","51","30671","30682","10.1039/D0RA05393G","","","0.71073","MoKα","","0.101","0.0687","","","0.1619","0.1872","","","","","","1.052","","","","has coordinates","257975","2020-10-21","18:00:00",""
"7241085","8.1249","0.0002","15.291","0.0004","15.3121","0.0004","90","","91.697","0.002","90","","1901.51","0.08","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H6 N O9 Os3 -","- C16 H6 N O9 Os3 -","- C64 H24 N4 O36 Os12 -","4","1","","Joy, Md. Tuhinur R.; Roknuzzaman,; Hossain, Md. Emdad; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.","Reactions of triosmium and triruthenium clusters with 2-ethynylpyridine: new modes for alkyne C‒C bond coupling and C‒H bond activation","RSC Advances","2020","10","51","30671","30682","10.1039/D0RA05393G","","x-ray","0.71073","MoKα","","0.0239","0.0211","","","0.0459","0.0471","","","","","","1.103","","","","has coordinates","257975","2020-10-21","18:00:00",""
"7241086","5.923","0.003","8.454","0.004","10.773","0.005","78.722","0.006","76.248","0.006","86.236","0.006","513.8","0.4","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O -","- C13 H13 N O -","- C26 H26 N2 O2 -","2","1","","Bi, Hong-Yan; Li, Cheng-Jing; Wei, Cui; Liang, Cui; Mo, Dong-Liang","Copper-catalyzed tri- or tetrafunctionalization of alkenylboronic acids to prepare tetrahydrocarbazol-1-ones and indolo[2,3-a]carbazoles","Green Chemistry","2020","22","17","5815","5821","10.1039/D0GC01514H","","","0.71073","MoKα","","0.0549","0.0507","","","0.139","0.1435","","","","","","1.082","","","","has coordinates","257590","2020-10-21","18:00:00",""
"7241087","10.3801","0.0006","12.7791","0.0007","22.1745","0.0012","92.814","0.002","92.689","0.002","104.376","0.002","2840.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H36 Ir2 N8 Na2 O23 S4 -","- C44 H36 Ir2 N8 Na2 O23 S4 -","- C88 H72 Ir4 N16 Na4 O46 S8 -","2","1","","Ainembabazi, Diana; Wang, Kai; Finn, Matthew; Ridenour, James; Voutchkova-Kostal, Adelina","Efficient transfer hydrogenation of carbonate salts from glycerol using water-soluble iridium N-heterocyclic carbene catalysts","Green Chemistry","2020","22","18","6093","6104","10.1039/D0GC01958E","","x-ray","0.71073","MoKα","","0.079","0.0554","","","0.1176","0.1275","","","","","","1.057","","","","has coordinates,has disorder","257621","2020-10-21","18:00:00",""
"7241088","11.2359","0.0002","14.902","0.0002","12.3361","0.0003","90","","111.221","0.001","90","","1925.46","0.06","233","2","233","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H11 Br N2 O S -","- C7 H11 Br N2 O S -","- C56 H88 Br8 N16 O8 S8 -","8","1","","Braun, Doris Elfriede; Lampl, Martin; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Hummel, Michael; Griesser, Ulrich J.","2-Mercaptoimidazolium halides: structural diversity, stability and spontaneous racemisation","CrystEngComm","2020","","","","","10.1039/D0CE00774A","","x-ray","0.71073","MoKα","","0.032","0.0289","","","0.0737","0.0762","","","","","","1.083","","","","has coordinates","255570","2020-10-21","18:00:00",""
"7241089","11.1116","0.0002","14.6502","0.0003","12.1138","0.0004","90","","111.27","0.002","90","","1837.64","0.08","233","2","233","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H11 Cl N2 O S -","- C7 H11 Cl N2 O S -","- C56 H88 Cl8 N16 O8 S8 -","8","1","","Braun, Doris Elfriede; Lampl, Martin; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Hummel, Michael; Griesser, Ulrich J.","2-Mercaptoimidazolium halides: structural diversity, stability and spontaneous racemisation","CrystEngComm","2020","","","","","10.1039/D0CE00774A","","x-ray","0.71073","MoKα","","0.0311","0.0287","","","0.0731","0.0747","","","","","","1.046","","","","has coordinates","255570","2020-10-21","18:00:00",""
"7241090","15.1584","0.0006","6.9422","0.0003","8.7807","0.0004","90","","90","","90","","924.02","0.07","203","2","203","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H10 Br N3 O S -","- C6 H10 Br N3 O S -","- C24 H40 Br4 N12 O4 S4 -","4","1","","Braun, Doris Elfriede; Lampl, Martin; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Hummel, Michael; Griesser, Ulrich J.","2-Mercaptoimidazolium halides: structural diversity, stability and spontaneous racemisation","CrystEngComm","2020","","","","","10.1039/D0CE00774A","","x-ray","0.71073","MoKα","","0.0344","0.0287","","","0.0585","0.0606","","","","","","1.067","","","","has coordinates","255570","2020-10-21","18:00:00",""
"7241091","5.8057","0.0003","19.4234","0.0011","8.3009","0.0005","90","","102.153","0.005","90","","915.08","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 Br N4 O S -","- C5 H9 Br N4 O S -","- C20 H36 Br4 N16 O4 S4 -","4","1","","Braun, Doris Elfriede; Lampl, Martin; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Hummel, Michael; Griesser, Ulrich J.","2-Mercaptoimidazolium halides: structural diversity, stability and spontaneous racemisation","CrystEngComm","2020","","","","","10.1039/D0CE00774A","","x-ray","0.71073","MoKα","","0.0394","0.0325","","","0.0846","0.0883","","","","","","1.146","","","","has coordinates","255570","2020-10-21","18:00:00",""
"7241092","17.196","0.0008","8.4197","0.0005","6.6408","0.0003","90","","95.281","0.004","90","","957.41","0.08","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C7 H11 Cl N2 O S -","- C7 H11 Cl N2 O S -","- C28 H44 Cl4 N8 O4 S4 -","4","1","","Braun, Doris Elfriede; Lampl, Martin; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Hummel, Michael; Griesser, Ulrich J.","2-Mercaptoimidazolium halides: structural diversity, stability and spontaneous racemisation","CrystEngComm","2020","","","","","10.1039/D0CE00774A","","x-ray","0.71073","MoKα","","0.0319","0.0287","","","0.0757","0.0765","","","","","","1.018","","","","has coordinates","255570","2020-10-21","18:00:00",""
"7241093","4.7921","0.0005","11.1245","0.0012","11.2988","0.0013","65.883","0.008","86.445","0.009","78.351","0.008","538.29","0.11","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 Cl2 N4 O8 -","- C22 H14 Cl2 N4 O8 -","- C22 H14 Cl2 N4 O8 -","1","0.5","","Sosa-Rivadeneyra, Martha Virginia; Perumal, Venkatesan; Flores-Manuel, Fermin; Bernès, Sylvain; Höpfl, Herbert; Ceron, Margarita; Thamotharan, Subbiah; Percino, M. Judith","Quantitative analysis of intermolecular interactions in cocrystals and a pair of polymorphous cocrystal hydrates from 1,4-dihydroquinoxaline-2,3-dione and 1H-benzo[d]imidazol-2(3H)-one with 2,5-dihydroxy-1,4-benzoquinones: A combined X-ray structure and theoretical analysis","CrystEngComm","2020","","","","","10.1039/D0CE01056A","","x-ray","0.56083","AgKα","","0.0553","0.0351","","","0.0852","0.091","","","","","","0.894","","","","has coordinates","255571","2020-10-21","18:00:00",""
"7241094","5.2947","0.0006","8.124","0.0007","20.88","0.003","90","","90.109","0.009","90","","898.13","0.18","295","1","295","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N4 O6 -","- C20 H16 N4 O6 -","- C40 H32 N8 O12 -","2","0.5","","Sosa-Rivadeneyra, Martha Virginia; Perumal, Venkatesan; Flores-Manuel, Fermin; Bernès, Sylvain; Höpfl, Herbert; Ceron, Margarita; Thamotharan, Subbiah; Percino, M. Judith","Quantitative analysis of intermolecular interactions in cocrystals and a pair of polymorphous cocrystal hydrates from 1,4-dihydroquinoxaline-2,3-dione and 1H-benzo[d]imidazol-2(3H)-one with 2,5-dihydroxy-1,4-benzoquinones: A combined X-ray structure and theoretical analysis","CrystEngComm","2020","","","","","10.1039/D0CE01056A","","x-ray","0.56083","AgKα","","0.0574","0.0398","","","0.0938","0.1021","","","","","","0.906","","","","has coordinates","255571","2020-10-21","18:00:00",""
"7241095","27.986","0.003","4.615","0.0003","24.046","0.002","90","","132.364","0.005","90","","2294.7","0.4","295","1","295","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Cl2 N4 O10 -","- C22 H18 Cl2 N4 O10 -","- C88 H72 Cl8 N16 O40 -","4","0.5","","Sosa-Rivadeneyra, Martha Virginia; Perumal, Venkatesan; Flores-Manuel, Fermin; Bernès, Sylvain; Höpfl, Herbert; Ceron, Margarita; Thamotharan, Subbiah; Percino, M. Judith","Quantitative analysis of intermolecular interactions in cocrystals and a pair of polymorphous cocrystal hydrates from 1,4-dihydroquinoxaline-2,3-dione and 1H-benzo[d]imidazol-2(3H)-one with 2,5-dihydroxy-1,4-benzoquinones: A combined X-ray structure and theoretical analysis","CrystEngComm","2020","","","","","10.1039/D0CE01056A","","x-ray","0.56083","AgKα","","0.0677","0.0329","","","0.0579","0.0627","","","","","","0.741","","","","has coordinates","255571","2020-10-21","18:00:00",""
"7241096","8.4521","0.0005","5.1303","0.0002","23.1482","0.0014","90","","99.316","0.005","90","","990.51","0.09","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Cl2 N4 O6 -","- C20 H14 Cl2 N4 O6 -","- C40 H28 Cl4 N8 O12 -","2","0.5","","Sosa-Rivadeneyra, Martha Virginia; Perumal, Venkatesan; Flores-Manuel, Fermin; Bernès, Sylvain; Höpfl, Herbert; Ceron, Margarita; Thamotharan, Subbiah; Percino, M. Judith","Quantitative analysis of intermolecular interactions in cocrystals and a pair of polymorphous cocrystal hydrates from 1,4-dihydroquinoxaline-2,3-dione and 1H-benzo[d]imidazol-2(3H)-one with 2,5-dihydroxy-1,4-benzoquinones: A combined X-ray structure and theoretical analysis","CrystEngComm","2020","","","","","10.1039/D0CE01056A","","x-ray","0.56083","AgKα","","0.0526","0.0364","","","0.0987","0.1037","","","","","","1.043","","","","has coordinates","255571","2020-10-21","18:00:00",""
"7241097","4.7183","0.0006","10.9094","0.0012","11.9445","0.0016","74.12","0.009","81.304","0.011","81.681","0.01","581.11","0.13","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cl2 N4 O10 -","- C22 H18 Cl2 N4 O10 -","- C22 H18 Cl2 N4 O10 -","1","0.5","","Sosa-Rivadeneyra, Martha Virginia; Perumal, Venkatesan; Flores-Manuel, Fermin; Bernès, Sylvain; Höpfl, Herbert; Ceron, Margarita; Thamotharan, Subbiah; Percino, M. Judith","Quantitative analysis of intermolecular interactions in cocrystals and a pair of polymorphous cocrystal hydrates from 1,4-dihydroquinoxaline-2,3-dione and 1H-benzo[d]imidazol-2(3H)-one with 2,5-dihydroxy-1,4-benzoquinones: A combined X-ray structure and theoretical analysis","CrystEngComm","2020","","","","","10.1039/D0CE01056A","","x-ray","0.56083","AgKα","","0.0763","0.0342","","","0.0598","0.0677","","","","","","0.841","","","","has coordinates","255571","2020-10-21","18:00:00",""
"7241098","9.6305","0.0015","4.8508","0.0009","19.676","0.003","90","","101.762","0.008","90","","899.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","1","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","0.71073","MoKα","","0.0775","0.0528","","","0.127","0.1419","","","","","","1.038","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241099","14.4343","0.0012","12.339","0.0012","16.3675","0.0011","90","","90","","90","","2915.1","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N4 O5 -","- C14 H16 N4 O5 -","- C112 H128 N32 O40 -","8","1","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","0.71073","MoKα","","0.056","0.0401","","","0.1027","0.114","","","","","","1.046","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241100","8.297","0.0004","8.4259","0.0004","8.6973","0.0004","73.191","0.003","62.99","0.003","63.742","0.003","482.84","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H11 N5 O3 -","- C8 H11 N5 O3 -","- C16 H22 N10 O6 -","2","1","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","0.71073","MoKα","","0.1433","0.0773","","","0.1602","0.1931","","","","","","1.015","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241101","16.8076","0.0015","6.312","0.0006","13.8556","0.0013","90","","90","","90","","1469.9","0.2","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H18 N4 O8 -","- C12 H18 N4 O8 -","- C48 H72 N16 O32 -","4","0.5","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","0.71073","MoKα","","0.0632","0.0403","","","0.0916","0.1057","","","","","","1.03","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241102","3.8177","0.0001","18.7165","0.0007","10.7428","0.0004","90","","109.012","0.002","90","","725.74","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N O6 -","- C4 H11 N O6 -","- C16 H44 N4 O24 -","4","1","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","1.54178","CuKα","","0.0302","0.0284","","","0.0735","0.0748","","","","","","1.084","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241103","3.726","0.0003","10.5594","0.0009","10.9879","0.0009","84.17","0.006","87.921","0.005","85.492","0.006","428.57","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C16 H20 N4 O8 -","2","1","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","0.71073","MoKα","","0.0418","0.0365","","","0.0985","0.1035","","","","","","1.039","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241104","6.7934","0.0007","9.2159","0.0014","27.264","0.005","90","","93.007","0.012","90","","1704.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Mebendazole perchlorate","","- C16 H14 Cl N3 O7 -","- C16 H14 Cl N3 O7 -","- C64 H56 Cl4 N12 O28 -","4","1","","Gutiérrez, Eduardo L. L.; Godoy, Agustin Alejandro; Narda, Griselda E.; Ellena, Javier A.","Rational design, supramolecular synthesis and solid state characterization of two bicomponent solid forms of Mebendazole","CrystEngComm","2020","","","","","10.1039/D0CE00924E","","x-ray","0.71073","MoKα","","0.2439","0.0915","","","0.2043","0.2845","","","","","","1.026","","","","has coordinates","255574","2020-10-21","18:00:00",""
"7241105","9.1092","0.0011","9.9717","0.0014","9.9908","0.0014","92.075","0.012","102.401","0.011","90.209","0.01","885.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Mebendazole methylbisulfate","Mebendazole methylsulfate","","- C17 H17 N3 O7 S -","- C17 H17 N3 O7 S -","- C34 H34 N6 O14 S2 -","2","1","","Gutiérrez, Eduardo L. L.; Godoy, Agustin Alejandro; Narda, Griselda E.; Ellena, Javier A.","Rational design, supramolecular synthesis and solid state characterization of two bicomponent solid forms of Mebendazole","CrystEngComm","2020","","","","","10.1039/D0CE00924E","","x-ray","0.71073","MoKα","","0.1639","0.0649","","","0.1512","0.1882","","","","","","1.049","","","","has coordinates","255574","2020-10-21","18:00:00",""
"7241106","9.6941","0.0003","18.5267","0.0005","11.897","0.0003","90","","100.254","0.001","90","","2102.57","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Br N O2 -","- C26 H16 Br N O2 -","- C104 H64 Br4 N4 O8 -","4","1","","Xie, Yufeng; Wang, Zhiqiang; Liu, Xiaoqing; Liu, Miaochang; Lei, Yunxiang; Zhou, Yun-Bing; Gao, Wenxia; Huang, Xiaobo; Wu, Huayue","Synthesis, photophysical and mechanochromic properties of novel 2,3,4,6-tetraaryl-4H-pyran derivatives","CrystEngComm","2020","","","","","10.1039/D0CE01021A","","","0.71073","MoKα","","0.0525","0.0346","","","0.0818","0.0907","","","","","","1.034","","","","has coordinates","255614","2020-10-21","18:00:00",""
"7241107","9.9622","0.0007","10.257","0.0007","18.2695","0.0011","90.165","0.002","93.058","0.002","93.993","0.002","1859.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H30 N2 O2 -","- C44 H30 N2 O2 -","- C88 H60 N4 O4 -","2","1","","Xie, Yufeng; Wang, Zhiqiang; Liu, Xiaoqing; Liu, Miaochang; Lei, Yunxiang; Zhou, Yun-Bing; Gao, Wenxia; Huang, Xiaobo; Wu, Huayue","Synthesis, photophysical and mechanochromic properties of novel 2,3,4,6-tetraaryl-4H-pyran derivatives","CrystEngComm","2020","","","","","10.1039/D0CE01021A","","","0.71073","MoKα","","0.0956","0.063","","","0.1722","0.1938","","","","","","1.054","","","","has coordinates,has disorder","255614","2020-10-21","18:00:00",""
"7241108","9.8228","0.0004","15.994","0.0008","18.5143","0.0011","90","","104.008","0.002","90","","2822.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cl4 N4 O4 -","- C24 H28 Cl4 N4 O4 -","- C96 H112 Cl16 N16 O16 -","4","1","","Barbero, Héctor; Meunier, Antoine; Kotturi, Kondalarao; Smith, Ashton; Kyritsakas, Nathalie; Killmeyer, Adam; Rabbani, Ramin; Nazimuddin, Md; Masson, Eric","Counterintuitive torsional barriers controlled by hydrogen bonding.","Physical chemistry chemical physics : PCCP","2020","22","36","20602","20611","10.1039/d0cp03285a","","","0.71073","MoKα","","0.0624","0.0529","","","0.1511","0.1624","","","","","","1","","","","has coordinates","258986","2020-11-06","13:19:29",""
"7241109","9.6496","0.0005","12.0424","0.0008","19.8345","0.0013","81.278","0.002","82.463","0.002","70.074","0.002","2134","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H26 O6 -","- C24 H26 O6 -","- C96 H104 O24 -","4","2","","Barbero, Héctor; Meunier, Antoine; Kotturi, Kondalarao; Smith, Ashton; Kyritsakas, Nathalie; Killmeyer, Adam; Rabbani, Ramin; Nazimuddin, Md; Masson, Eric","Counterintuitive torsional barriers controlled by hydrogen bonding.","Physical chemistry chemical physics : PCCP","2020","22","36","20602","20611","10.1039/d0cp03285a","","","0.71073","MoKα","","0.0631","0.0457","","","0.1208","0.1336","","","","","","1.007","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7241110","9.2669","0.0004","9.8502","0.0005","14.0987","0.0007","95.459","0.002","102.736","0.002","96.328","0.002","1238.13","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N5 O11 Zn2 -","- C23 H21 N5 O11 Zn2 -","- C46 H42 N10 O22 Zn4 -","2","1","","Chen, Xiaoli; Shang, Lu; Cui, Huali; Yang, Hua; Liu, Ling; Ren, Yixia; Wang, Jijiang","Four novel Zn(ii)/Cu(ii) coordination polymers containing hydroxyl groups: synthesis, crystal structure, luminescence sensing and photocatalysis properties","CrystEngComm","2020","","","","","10.1039/D0CE00950D","","","0.71073","MoKα","","0.0291","0.0243","","","0.0629","0.0651","","","","","","1.088","","","","has coordinates,has disorder","255639","2020-10-21","18:00:00",""
"7241111","9.7083","0.0003","12.3721","0.0008","18.0053","0.0005","91.074","0.004","95.987","0.003","99.217","0.004","2121.7","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N8 O23 Zn4 -","- C32 H34 N8 O23 Zn4 -","- C64 H68 N16 O46 Zn8 -","2","1","","Chen, Xiaoli; Shang, Lu; Cui, Huali; Yang, Hua; Liu, Ling; Ren, Yixia; Wang, Jijiang","Four novel Zn(ii)/Cu(ii) coordination polymers containing hydroxyl groups: synthesis, crystal structure, luminescence sensing and photocatalysis properties","CrystEngComm","2020","","","","","10.1039/D0CE00950D","","","0.71073","MoKα","","0.0575","0.0381","","","0.0903","0.0971","","","","","","1.091","","","","has coordinates","255640","2020-10-21","18:00:00",""
"7241112","9.9614","0.0012","17.775","0.002","19.243","0.002","90","","102.947","0.002","90","","3320.6","0.6","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H19 Cu2 N7 O7 -","- C35 H19 Cu2 N7 O7 -","- C140 H76 Cu8 N28 O28 -","4","0.5","","Chen, Xiaoli; Shang, Lu; Cui, Huali; Yang, Hua; Liu, Ling; Ren, Yixia; Wang, Jijiang","Four novel Zn(ii)/Cu(ii) coordination polymers containing hydroxyl groups: synthesis, crystal structure, luminescence sensing and photocatalysis properties","CrystEngComm","2020","","","","","10.1039/D0CE00950D","","","0.71073","MoKα","","0.0952","0.0819","","","0.2515","0.2632","","","","","","1.089","","","","has coordinates,has disorder","255641","2020-10-21","18:00:00",""
"7241113","9.2751","0.0019","9.8616","0.0017","14.1","0.003","95.512","0.007","102.83","0.006","96.382","0.006","1240","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 Cu2 N5 O11 -","- C23 H21 Cu2 N5 O11 -","- C46 H42 Cu4 N10 O22 -","2","1","","Chen, Xiaoli; Shang, Lu; Cui, Huali; Yang, Hua; Liu, Ling; Ren, Yixia; Wang, Jijiang","Four novel Zn(ii)/Cu(ii) coordination polymers containing hydroxyl groups: synthesis, crystal structure, luminescence sensing and photocatalysis properties","CrystEngComm","2020","","","","","10.1039/D0CE00950D","","","0.71073","MoKα","","0.036","0.0284","","","0.0694","0.0725","","","","","","1.026","","","","has coordinates,has disorder","255642","2020-10-21","18:00:00",""
"7241114","21.961","0.005","11.928","0.003","8.903","0.002","90","","90","","90","","2332.1","0.9","296","2","296.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H10 Cs4 N6 O4 S6 -","- C6 H10 Cs4 N6 O4 S6 -","- C24 H40 Cs16 N24 O16 S24 -","4","0.5","","Zhao, Jianmin; Liu, Hongkun; Zhang, Xiaodong; Zhang, Bingbing; Wang, Ying","Facile synthesis of a cesium trithiocyanurate with high ionic conductivity and large birefringence properties","CrystEngComm","2020","","","","","10.1039/D0CE01116A","","","0.71073","MoKα","","0.0617","0.0356","","","0.0671","0.0757","","","","","","1.033","","","","has coordinates","255643","2020-10-21","18:00:00",""
"7241115","32.824","0.006","6.1669","0.0011","6.2114","0.0011","90","","93.205","0.002","90","","1255.4","0.4","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H24 I4 N2 Pb -","- C16 I4 N2 Pb -","- C32 I8 N4 Pb2 -","2","0.25","","Song, Jiewu; Dang, Yangyang; Liu, Xiaolong; Tao, Xutang","Layered Hybrid Lead Perovskite Single Crystals: Phase Transformations and Tunable Optical Properties","CrystEngComm","2020","","","","","10.1039/D0CE00753F","","","0.71073","MoKα","","0.0371","0.0328","","","0.0899","0.1051","","","","","","1.204","","","","has coordinates","255644","2020-10-21","18:00:00",""
"7241116","8.8201","0.0014","8.8198","0.0014","29.038","0.005","93.198","0.002","95.495","0.002","90.123","0.002","2245","0.6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","C18H36N4I10Pb3","","- C18 H36 I10 N4 Pb3 -","- C25 I10 N2 Pb3 -","- C50 I20 N4 Pb6 -","2","1","","Song, Jiewu; Dang, Yangyang; Liu, Xiaolong; Tao, Xutang","Layered Hybrid Lead Perovskite Single Crystals: Phase Transformations and Tunable Optical Properties","CrystEngComm","2020","","","","","10.1039/D0CE00753F","","","0.71073","MoKα","","0.083","0.0607","","","0.1573","0.1734","","","","","","1.107","","","","has coordinates","255644","2020-10-21","18:00:00",""
"7241117","8.8092","0.0005","8.8168","0.0004","22.8196","0.0012","97.072","0.004","93.983","0.004","90.199","0.004","1754.51","0.16","296","0.1","296","0.1","","","","","","","","5","P -1","-P 1","2","","C17H30N3I7Pb2","","- C17 H30 I7 N3 Pb2 -","- C7 I7 N2 Pb2 -","- C14 I14 N4 Pb4 -","2","1","","Song, Jiewu; Dang, Yangyang; Liu, Xiaolong; Tao, Xutang","Layered Hybrid Lead Perovskite Single Crystals: Phase Transformations and Tunable Optical Properties","CrystEngComm","2020","","","","","10.1039/D0CE00753F","","x-ray","0.71073","MoKα","","0.0747","0.0546","","","0.1443","0.1592","","","","","","1.052","","","","has coordinates","255644","2020-10-21","18:00:00",""
"7241118","8.7497","0.0008","8.751","0.0008","16.683","0.0015","99.7643","0.001","95.2258","0.001","90.3394","0.001","1253.4","0.2","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","C16H24I4N2Pb","","- C16 H24 I4 N2 Pb -","- C16 I4 N2 Pb -","- C32 I8 N4 Pb2 -","2","1","","Song, Jiewu; Dang, Yangyang; Liu, Xiaolong; Tao, Xutang","Layered Hybrid Lead Perovskite Single Crystals: Phase Transformations and Tunable Optical Properties","CrystEngComm","2020","","","","","10.1039/D0CE00753F","","","0.71073","MoKα","","0.0396","0.0348","","","0.0978","0.1064","","","","","","1.091","","","","has coordinates","255644","2020-10-21","18:00:00",""
"7241119","8.735","0.0016","8.7359","0.0016","16.673","0.003","99.694","0.005","95.22","0.006","90.393","0.005","1248.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","C16H24N2I4Pb","","- C16 H24 I4 N2 Pb -","- C19 I4 N2 Pb -","- C38 I8 N4 Pb2 -","2","1","","Song, Jiewu; Dang, Yangyang; Liu, Xiaolong; Tao, Xutang","Layered Hybrid Lead Perovskite Single Crystals: Phase Transformations and Tunable Optical Properties","CrystEngComm","2020","","","","","10.1039/D0CE00753F","","","0.71073","MoKα","","0.0682","0.0525","","","0.1418","0.1482","","","","","","1.175","","","","has coordinates","255644","2020-10-21","18:00:00",""
"7241120","10.8713","0.0004","14.5655","0.0006","8.7376","0.0004","90","","102.36","0.001","90","","1351.5","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 O6 U -","- C14 H8 O6 U -","- C56 H32 O24 U4 -","4","1","","Tong, Xiao-Lan; Wang, Shan; Gao, Hong Xia; Ge, Ying Chong; Zuo, Jun; Liu, Fen; Ding, Jianhua; Xiong, Jianbo","Hydrothermal Synthesis of Two 2D Uranyl Coordination Polymers, Structure, Luminescence, and Photocatalytic Degradation of Rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE01091J","","","0.71073","MoKα","","0.0257","0.0175","","","0.0373","0.0393","","","","","","1.078","","","","has coordinates","255645","2020-10-21","18:00:00",""
"7241121","10.4923","0.0011","15.3276","0.0017","12.1504","0.0013","90","","97.178","0.003","90","","1938.7","0.4","300","2","299.85","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O7 U -","- C19 H17 N O7 U -","- C76 H68 N4 O28 U4 -","4","1","","Tong, Xiao-Lan; Wang, Shan; Gao, Hong Xia; Ge, Ying Chong; Zuo, Jun; Liu, Fen; Ding, Jianhua; Xiong, Jianbo","Hydrothermal Synthesis of Two 2D Uranyl Coordination Polymers, Structure, Luminescence, and Photocatalytic Degradation of Rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE01091J","","","0.71073","MoKα","","0.031","0.0242","","","0.0555","0.0601","","","","","","1.117","","","","has coordinates","255645","2020-10-21","18:00:00",""
"7241122","9.6125","0.0001","11.4482","0.0001","12.0079","0.0001","88.333","0.001","66.767","0.001","85.721","0.001","1210.88","0.02","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O6 Zn -","- C28 H20 N2 O6 Zn -","- C56 H40 N4 O12 Zn2 -","2","1","","Qiu, Sheng-En; Yang, Shi-Yao","Reversible photo/thermal solid-state transformation of a coordination polymer","CrystEngComm","2020","","","","","10.1039/D0CE00905A","","","1.5418","CuKα","","0.0417","0.037","","","0.0968","0.1026","","","","","","1.032","","","","has coordinates,has disorder","255646","2020-10-21","18:00:00",""
"7241123","9.4489","0.0004","10.9319","0.0004","12.4569","0.0007","91.048","0.005","64.18","0.004","85.038","0.004","1151.68","0.1","100","2","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O6 Zn -","- C28 H20 N2 O6 Zn -","- C56 H40 N4 O12 Zn2 -","2","1","","Qiu, Sheng-En; Yang, Shi-Yao","Reversible photo/thermal solid-state transformation of a coordination polymer","CrystEngComm","2020","","","","","10.1039/D0CE00905A","","x-ray","1.54184","CuKα","","0.0617","0.0568","","","0.1523","0.1586","","","","","","1.006","","","","has coordinates,has disorder","255646","2020-10-21","18:00:00",""
"7241124","9.511","0.0002","11.4116","0.0003","11.7909","0.0003","87.5702","0.0019","83.0661","0.0019","67.522","0.002","1173.85","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Co N2 O6 -","- C28 H20 Co N2 O6 -","- C56 H40 Co2 N4 O12 -","2","1","","Qiu, Sheng-En; Yang, Shi-Yao","Reversible photo/thermal solid-state transformation of a coordination polymer","CrystEngComm","2020","","","","","10.1039/D0CE00905A","","","1.54184","CuKα","","0.0376","0.0349","","","0.0878","0.0894","","","","","","1.045","","","","has coordinates,has disorder","255646","2020-10-21","18:00:00",""
"7241125","9.6125","0.0001","11.4482","0.0001","12.0634","0.0002","88.252","0.001","66.161","0.001","85.721","0.001","1210.88","0.03","100","2","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O6 Zn -","- C28 H20 N2 O6 Zn -","- C56 H40 N4 O12 Zn2 -","2","1","","Qiu, Sheng-En; Yang, Shi-Yao","Reversible photo/thermal solid-state transformation of a coordination polymer","CrystEngComm","2020","","","","","10.1039/D0CE00905A","","x-ray","1.54184","CuKα","","0.1516","0.1436","","","0.4317","0.4456","","","","","","2.114","","","","has coordinates,has disorder","255646","2020-10-21","18:00:00",""
"7241126","12.4871","0.001","14.3971","0.0012","16.4209","0.001","90","","114.354","0.005","90","","2689.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cd N4 O10 -","- C20 H24 Cd N4 O10 -","- C80 H96 Cd4 N16 O40 -","4","1","","Wang, Jun; Chen, Ning-Ning; Qian, Jin; Chen, Xuanrong; Zhang, Xin-Yue; Fan, Liming","Multiresponsive chemosensing and photocatalytic properties of three luminescent coordination polymers derived from bifunctional 1,1'-Di(4-carbonylphenyl)-2,2'-biimidazoline ligand","CrystEngComm","2020","","","","","10.1039/D0CE00814A","","","0.71073","MoKα","","0.0479","0.0421","","","0.1283","0.136","","","","","","1.075","","","","has coordinates,has disorder","255677","2020-10-21","18:00:00",""
"7241127","32.2321","0.0019","32.2321","0.0019","14.2264","0.0011","90","","90","","120","","12799.8","1.5","291","2","291","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H12 N4 O4 Zn -","- C20 H12 N4 O4 Zn -","- C360 H216 N72 O72 Zn18 -","18","1","","Wang, Jun; Chen, Ning-Ning; Qian, Jin; Chen, Xuanrong; Zhang, Xin-Yue; Fan, Liming","Multiresponsive chemosensing and photocatalytic properties of three luminescent coordination polymers derived from bifunctional 1,1'-Di(4-carbonylphenyl)-2,2'-biimidazoline ligand","CrystEngComm","2020","","","","","10.1039/D0CE00814A","","","0.71073","MoKα","","0.0599","0.0383","","","0.0923","0.0945","","","","","","1.091","","","","has coordinates","255677","2020-10-21","18:00:00",""
"7241128","16.2489","0.0013","16.2489","0.0013","45.5303","0.0017","90","","90","","120","","10410.7","1.2","291","2","291","2","","","","","","","","6","P 61","P 61","169","","","","- C63 H43 Cd4 Cl2 N13 O13 -","- C63 H43 Cd4 Cl2 N13 O13 -","- C378 H258 Cd24 Cl12 N78 O78 -","6","1","","Wang, Jun; Chen, Ning-Ning; Qian, Jin; Chen, Xuanrong; Zhang, Xin-Yue; Fan, Liming","Multiresponsive chemosensing and photocatalytic properties of three luminescent coordination polymers derived from bifunctional 1,1'-Di(4-carbonylphenyl)-2,2'-biimidazoline ligand","CrystEngComm","2020","","","","","10.1039/D0CE00814A","","","0.71073","MoKα","","0.032","0.0317","","","0.1034","0.1037","","","","","","1.032","","","","has coordinates","255677","2020-10-21","18:00:00",""
"7241129","11.37","0.0004","10.2878","0.0004","14.5801","0.0006","90","","97.519","0.004","90","","1690.8","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N2 O S -","- C21 H18 N2 O S -","- C84 H72 N8 O4 S4 -","4","1","","Zhong, Ping-Fu; Lin, Hong-Min; Wang, Lin-Wei; Mo, Zu-Yu; Meng, Xiu-Jin; Tang, Hai-Tao; Pan, Ying-Ming","Electrochemically enabled synthesis of sulfide imidazopyridines via a radical cyclization cascade","Green Chemistry","2020","22","19","6334","6339","10.1039/D0GC02125C","","x-ray","0.71073","MoKα","","0.0462","0.0382","","","0.0847","0.0901","","","","","","1.048","","","","has coordinates","258874","2020-11-06","12:32:13",""
"7241130","4.9241","0.0018","14.209","0.004","15.299","0.0016","90.853","0.015","96.934","0.019","99.1","0.03","1048.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22.75 H22 N3 O1.75 S -","- C22.75 H22 N3 O1.75 S -","- C45.5 H44 N6 O3.5 S2 -","2","1","","Zhong, Ping-Fu; Lin, Hong-Min; Wang, Lin-Wei; Mo, Zu-Yu; Meng, Xiu-Jin; Tang, Hai-Tao; Pan, Ying-Ming","Electrochemically enabled synthesis of sulfide imidazopyridines via a radical cyclization cascade","Green Chemistry","2020","22","19","6334","6339","10.1039/D0GC02125C","","x-ray","0.71073","MoKα","","0.2222","0.107","","","0.2312","0.3136","","","","","","0.89","","","","has coordinates","258874","2020-11-06","12:32:14",""
"7241131","5.6915","0.0002","12.7636","0.0006","26.8264","0.0012","90","","90","","90","","1948.78","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 N2 S -","- C25 H20 N2 S -","- C100 H80 N8 S4 -","4","1","","Zhong, Ping-Fu; Lin, Hong-Min; Wang, Lin-Wei; Mo, Zu-Yu; Meng, Xiu-Jin; Tang, Hai-Tao; Pan, Ying-Ming","Electrochemically enabled synthesis of sulfide imidazopyridines via a radical cyclization cascade","Green Chemistry","2020","22","19","6334","6339","10.1039/D0GC02125C","","x-ray","0.71073","MoKα","","0.0804","0.052","","","0.1068","0.1254","","","","","","1.042","","","","has coordinates","258874","2020-11-06","12:32:14",""
"7241132","14.1749","0.0009","16.1144","0.0008","14.9624","0.0011","90","","91.976","0.006","90","","3415.7","0.4","298","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H19 N O3 -","- C20 H18 N O3 -","- C160 H144 N8 O24 -","8","2","","Bakthadoss, Manickam; Reddy, Tadiparthi Thirupathi; Sharada, Duddu S.","Ruthenium-catalyzed, site-selective C–H activation: access to C5-substituted azaflavanone","RSC Advances","2020","10","52","31570","31574","10.1039/D0RA06580C","","","0.71073","MoKα","","0.1631","0.0821","","","0.213","0.2654","","","","","","1.049","","","","has coordinates","295543","2024-10-18","15:17:09",""
"7241133","10.5619","0.0005","7.106","0.0003","25.1299","0.0012","90","","101.338","0.001","90","","1849.26","0.15","100.06","","100.06","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cl2 F3 Fe N4 O3 S -","- C12 H18 Cl2 F3 Fe N4 O3 S -","- C48 H72 Cl8 F12 Fe4 N16 O12 S4 -","4","1","","Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.","Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties","RSC Advances","2020","10","52","31165","31170","10.1039/D0RA05756H","","","0.71073","MoKα","","0.0221","0.0215","","","0.0555","0.0558","","","","","","1.0685","","","","has coordinates","258042","2020-10-21","18:00:00",""
"7241134","27.529","0.0009","10.302","0.0003","7.0168","0.0002","90","","90","","90","","1989.99","0.1","105","2","105","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C12 H17 Cl2 F3 Fe N5 O5 S -","- C12 H17 Cl2 F3 Fe N5 O5 S -","- C48 H68 Cl8 F12 Fe4 N20 O20 S4 -","4","0.5","","Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.","Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties","RSC Advances","2020","10","52","31165","31170","10.1039/D0RA05756H","","","0.71073","MoKα","","0.0381","0.0379","","","0.0937","0.0938","","","","","","1.213","","","","has coordinates","258042","2020-10-21","18:00:00",""
"7241135","10.1639","0.0003","8.8011","0.0003","12.5028","0.0004","90","","109.928","0.002","90","","1051.45","0.06","99.97","","99.97","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C14 H21 Cl2 F3 Fe N5 O4 S -","- C14 H21 Cl2 F3 Fe N5 O4 S -","- C28 H42 Cl4 F6 Fe2 N10 O8 S2 -","2","0.5","","Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.","Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties","RSC Advances","2020","10","52","31165","31170","10.1039/D0RA05756H","","","0.71073","MoKα","","0.0628","0.0502","","","0.0947","0.0994","","","","","","1.117","","","","has coordinates,has disorder","258042","2020-10-21","18:00:00",""
"7241136","6.8687","0.0002","8.6082","0.0002","13.7369","0.0004","80.288","0.002","81.571","0.002","88.256","0.002","791.92","0.04","102.49","","102.49","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H19.161 Cl3 Fe N4 O1.907 -","- C11 H19.16 Cl3 Fe N4 O1.91 -","- C22 H38.32 Cl6 Fe2 N8 O3.82 -","2","1","","Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.","Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties","RSC Advances","2020","10","52","31165","31170","10.1039/D0RA05756H","","","0.71073","MoKα","","0.0611","0.0411","","","0.0819","0.089","","","","","","1.0563","","","","has coordinates,has disorder","258042","2020-10-21","18:00:00",""
"7241137","6.9632","0.0003","10.2625","0.0005","14.6539","0.0007","90","","97.751","0.002","90","","1037.6","0.08","100.01","","100.01","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C13 H17 Cl2 F6 Fe N4 O3 S -","- C13 H17 Cl2 F6 Fe N4 O3 S -","- C26 H34 Cl4 F12 Fe2 N8 O6 S2 -","2","0.5","","Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.","Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties","RSC Advances","2020","10","52","31165","31170","10.1039/D0RA05756H","","","0.71073","MoKα","","0.0337","0.03","","","0.0761","0.0786","","","","","","1.0543","","","","has coordinates","258042","2020-10-21","18:00:00",""
"7241138","6.9779","0.0004","10.3829","0.0006","13.9933","0.0008","90","","97.673","0.002","90","","1004.75","0.1","100.01","","100.01","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C12 H17 Cl3 F3 Fe N4 O3 S -","- C12 H17 Cl3 F3 Fe N4 O3 S -","- C24 H34 Cl6 F6 Fe2 N8 O6 S2 -","2","0.5","","Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.","Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties","RSC Advances","2020","10","52","31165","31170","10.1039/D0RA05756H","","","0.71073","MoKα","","0.0267","0.0261","","","0.0608","0.0613","","","","","","1.0497","","","","has coordinates","258042","2020-10-21","18:00:00",""
"7241139","16.587","0.009","10.184","0.005","17.383","0.009","90","","108.815","0.018","90","","2779","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 B N2 O3 -","- C34 H27 B N2 O3 -","- C136 H108 B4 N8 O12 -","4","1","","Lara-Cerón, Jesús A.; Jiménez Pérez, Víctor M.; Xochicale-Santana, Leonardo; Ochoa, María E.; Chávez-Reyes, Arturo; Muñoz-Flores, Blanca M.","Boron Schiff bases derived from α-amino acids as nucleoli/cytoplasm cell-staining fluorescent probes in vitro","RSC Advances","2020","10","53","31748","31757","10.1039/D0RA05948J","","","0.71073","MoKα","","0.1033","0.0587","","","0.1194","0.1374","","","","","","1.074","","","","has coordinates","258008","2020-10-21","18:00:00",""
"7241140","3.8428","0.0003","36.328","0.003","11.0693","0.0008","90","","91.93","0.004","90","","1544.4","0.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H12 O3 S -","- C21 H12 O3 S -","- C84 H48 O12 S4 -","4","1","","Boufroura, Hamza; Plais, Romain; Poyer, Salomé; Gaucher, Anne; Marrot, Jérome; Clavier, Gilles; Legrand, François-Xavier; Huin, Cécile; Guégan, Philippe; Prim, Damien; Salpin, Jean-Yves","Helically shaped cation receptor: design, synthesis, characterisation and first application to ion transport","RSC Advances","2020","10","52","31670","31679","10.1039/D0RA05519K","","","0.71073","MoKα","","0.0818","0.067","","","0.1602","0.1709","","","","","","1.021","","","","has coordinates","258041","2020-10-21","18:00:00",""
"7241141","7.7624","0.0012","13.253","0.002","10.4256","0.0016","90","","104.1","0.002","90","","1040.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H2 N8 O6 -","- C6 H2 N8 O6 -","- C24 H8 N32 O24 -","4","1","","Zhang, Jiarong; Bi, Fuqiang; Zhai, Lianjie; Huo, Huan; Yang, Zhi; Wang, Bozhou","A comparative study of the structures, thermal stabilities and energetic performances of two energetic regioisomers: 3(4)-(4-aminofurazan-3-yl)-4(3)-(4-nitrofurazan-3-yl)furoxan","RSC Advances","2020","10","53","31800","31807","10.1039/D0RA06186G","","","0.71073","MoKα","","0.0371","0.0319","","","0.0837","0.0883","","","","","","1.027","","","","has coordinates","258004","2020-10-21","18:00:00",""
"7241142","6.188","0.008","9.187","0.011","10.3","0.013","71.902","0.018","84.505","0.018","82.972","0.019","551.4","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H2 N8 O6 -","- C6 H2 N8 O6 -","- C12 H4 N16 O12 -","2","1","","Zhang, Jiarong; Bi, Fuqiang; Zhai, Lianjie; Huo, Huan; Yang, Zhi; Wang, Bozhou","A comparative study of the structures, thermal stabilities and energetic performances of two energetic regioisomers: 3(4)-(4-aminofurazan-3-yl)-4(3)-(4-nitrofurazan-3-yl)furoxan","RSC Advances","2020","10","53","31800","31807","10.1039/D0RA06186G","","","0.71073","MoKα","","0.0668","0.063","","","0.201","0.2053","","","","","","1.024","","","","has coordinates","258004","2020-10-21","18:00:00",""
"7241143","14.7203","0.0009","5.3408","0.0003","16.4985","0.0009","90","","106.533","0.006","90","","1243.46","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O S -","- C14 H12 N2 O S -","- C56 H48 N8 O4 S4 -","4","1","","Hu, Jingyan; Ji, Xiaoming; Hao, Shuai; Zhao, Mingqin; Lai, Miao; Ren, Tianbao; Xi, Gaolei; Wang, Erbin; Wang, Juanjuan; Wu, Zhiyong","Regioselective C‒H sulfenylation of N-sulfonyl protected 7-azaindoles promoted by TBAI: a rapid synthesis of 3-thio-7-azaindoles","RSC Advances","2020","10","53","31819","31823","10.1039/D0RA06635D","","x-ray","1.54184","CuKα","","0.064","0.0454","","","0.1081","0.1234","","","","","","1.038","","","","has coordinates","258007","2020-10-21","18:00:00",""
"7241144","14.588","0.0005","10.6964","0.0003","21.111","0.0009","90","","90","","90","","3294.1","0.2","296.31","0.1","296.31","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C18 H29 N3 O15.5 P5 Zn4 -","- C18 H26 N3 O15.5 P5 Zn4 -","- C72 H104 N12 O62 P20 Zn16 -","4","0.5","","Li, Ting; Mao, Yumei; Qi, Yue; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Ionothermal synthesis of crystalline metal phosphites using multifunctional protic ionic liquids","CrystEngComm","2020","","","","","10.1039/D0CE01182G","","x-ray","1.54184","CuKα","","0.0962","0.0894","","","0.2687","0.2789","","","","","","1.057","","","","has coordinates,has disorder","255721","2020-10-21","18:00:00",""
"7241145","5.06676","0.00018","18.5492","0.0006","7.3779","0.0003","90","","109.713","0.004","90","","652.77","0.04","294.05","0.1","294.05","0.1","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C4 H13 F2 Fe2 N2 O8 P2 -","- C4 H13 F2 Fe2 N2 O8 P2 -","- C8 H26 F4 Fe4 N4 O16 P4 -","2","0.5","","Li, Ting; Mao, Yumei; Qi, Yue; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Ionothermal synthesis of crystalline metal phosphites using multifunctional protic ionic liquids","CrystEngComm","2020","","","","","10.1039/D0CE01182G","","x-ray","1.54184","CuKα","","0.0474","0.0441","","","0.1178","0.1204","","","","","","1.102","","","","has coordinates,has disorder","255721","2020-10-21","18:00:00",""
"7241146","8.5574","0.0002","9.8938","0.0002","14.8351","0.0004","91.403","0.001","93.658","0.001","97.92","0.001","1240.8","0.05","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H26 F2 N2 O6 -","- C27 H26 F2 N2 O6 -","- C54 H52 F4 N4 O12 -","2","2","","Babij, Nicholas R.; Choy, Nakyen; Cismesia, Megan A.; Couling, David J.; Hough, Nicole M.; Johnson, Peter L.; Klosin, Jerzy; Li, Xiaoyong; Lu, Yu; McCusker, Elizabeth O.; Meyer, Kevin G.; Renga, James M.; Rogers, Richard B.; Stockman, Kenneth E.; Webb, Nicola J.; Whiteker, Gregory T.; Zhu, Yuanming","Design and synthesis of florylpicoxamid, a fungicide derived from renewable raw materials","Green Chemistry","2020","22","18","6047","6054","10.1039/D0GC02063J","","","0.71073","MoKα","","0.036","0.0327","","","0.089","0.0973","","","","","","1.09","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7241147","8.3081","0.0003","11.7497","0.0004","26.4644","0.0008","90","","90","","90","","2583.39","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 Cl F2 N O4 -","- C24 H36 Cl F2 N O4 -","- C96 H144 Cl4 F8 N4 O16 -","4","1","","Babij, Nicholas R.; Choy, Nakyen; Cismesia, Megan A.; Couling, David J.; Hough, Nicole M.; Johnson, Peter L.; Klosin, Jerzy; Li, Xiaoyong; Lu, Yu; McCusker, Elizabeth O.; Meyer, Kevin G.; Renga, James M.; Rogers, Richard B.; Stockman, Kenneth E.; Webb, Nicola J.; Whiteker, Gregory T.; Zhu, Yuanming","Design and synthesis of florylpicoxamid, a fungicide derived from renewable raw materials","Green Chemistry","2020","22","18","6047","6054","10.1039/D0GC02063J","","","0.71073","MoKα","","0.0463","0.0373","","","0.0827","0.0865","","","","","","1.035","","","","has coordinates","257620","2020-10-21","18:00:00",""
"7241148","6.3536","0.0002","11.4414","0.0004","23.5584","0.0009","90","","92.688","0.003","90","","1710.67","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 B O3 -","- C19 H21 B O3 -","- C76 H84 B4 O12 -","4","1","","Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen","Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives.","Physical chemistry chemical physics : PCCP","2020","22","37","21445","21452","10.1039/d0cp02881a","","x-ray","1.54184","CuKα","","0.0828","0.0742","","","0.1977","0.2074","","","","","","1.037","","","","has coordinates","258983","2020-11-06","13:18:32",""
"7241149","6.27903","0.0001","10.62604","0.00017","25.7596","0.0004","90","","91.8497","0.0015","90","","1717.82","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 B O3 -","- C19 H21 B O3 -","- C76 H84 B4 O12 -","4","1","","Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen","Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives.","Physical chemistry chemical physics : PCCP","2020","22","37","21445","21452","10.1039/d0cp02881a","","x-ray","1.54184","CuKα","","0.0541","0.0506","","","0.1336","0.1382","","","","","","1.057","","","","has coordinates","258983","2020-11-06","13:18:33",""
"7241150","12.4558","0.0002","12.11252","0.00015","12.7411","0.0002","90","","113.325","0.002","90","","1765.16","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 B O3 -","- C19 H21 B O3 -","- C76 H84 B4 O12 -","4","1","","Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen","Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives.","Physical chemistry chemical physics : PCCP","2020","22","37","21445","21452","10.1039/d0cp02881a","","x-ray","1.54184","CuKα","","0.0856","0.0805","","","0.2187","0.2267","","","","","","1.057","","","","has coordinates","258983","2020-11-06","13:18:33",""
"7241151","8.73519","0.00009","9.35255","0.00009","21.1327","0.0002","90","","101.428","0.001","90","","1692.23","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 B O3 -","- C19 H21 B O3 -","- C76 H84 B4 O12 -","4","1","","Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen","Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives.","Physical chemistry chemical physics : PCCP","2020","22","37","21445","21452","10.1039/d0cp02881a","","x-ray","1.54184","CuKα","","0.0429","0.0411","","","0.1064","0.1088","","","","","","1.064","","","","has coordinates","258983","2020-11-06","13:18:33",""
"7241152","17.861","0.004","11.063","0.002","22.252","0.005","90","","108.15","0.03","90","","4178.1","1.7","113.15","","113.15","","","","","","","","","11","P 1 21/c 1","-P 2ybc","14","","","","- C40 H35 B Cl F4 Fe N Ni O P2 S2 -","- C40 H35 B Cl F4 Fe N Ni O P2 S2 -","- C160 H140 B4 Cl4 F16 Fe4 N4 Ni4 O4 P8 S8 -","4","1","","Song, Li-Cheng; Liu, Bei-Bei; Liu, Wen-Bo; Tan, Zheng-Lei","Heterodinuclear nickel(ii)‒iron(ii) azadithiolates as structural and functional models for the active site of [NiFe]-hydrogenases","RSC Advances","2020","10","53","32069","32077","10.1039/D0RA04344C","","","0.71073","MoKα","","0.0866","0.0693","","","0.1538","0.1648","","","","","","1.127","","","","has coordinates","258005","2020-10-21","18:00:00",""
"7241153","10.113","0.002","12.365","0.003","18.383","0.004","75.55","0.03","87.96","0.03","77.76","0.03","2175.1","0.9","113","2","113.15","","","","","","","","","11","P -1","-P 1","2","","","","- C43 H42 B Cl2 F4 Fe N Ni O3 P2 S2 -","- C43 H42 B Cl2 F4 Fe N Ni O3 P2 S2 -","- C86 H84 B2 Cl4 F8 Fe2 N2 Ni2 O6 P4 S4 -","2","1","","Song, Li-Cheng; Liu, Bei-Bei; Liu, Wen-Bo; Tan, Zheng-Lei","Heterodinuclear nickel(ii)‒iron(ii) azadithiolates as structural and functional models for the active site of [NiFe]-hydrogenases","RSC Advances","2020","10","53","32069","32077","10.1039/D0RA04344C","","","0.71073","MoKα","","0.0756","0.0567","","","0.1441","0.1575","","","","","","1.06","","","","has coordinates,has disorder","258005","2020-10-21","18:00:00",""
"7241154","17.8793","0.0011","11.0429","0.0005","22.4895","0.001","90","","108.615","0.006","90","","4208","0.4","293","2","293","2","","","","","","","","11","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 B Cl2 F4 Fe N Ni O P2 S2 -","- C42 H40 B Cl2 F4 Fe N Ni O P2 S2 -","- C168 H160 B4 Cl8 F16 Fe4 N4 Ni4 O4 P8 S8 -","4","1","","Song, Li-Cheng; Liu, Bei-Bei; Liu, Wen-Bo; Tan, Zheng-Lei","Heterodinuclear nickel(ii)‒iron(ii) azadithiolates as structural and functional models for the active site of [NiFe]-hydrogenases","RSC Advances","2020","10","53","32069","32077","10.1039/D0RA04344C","","x-ray","0.71073","MoKα","","0.0924","0.0712","","","0.1847","0.1987","","","","","","1.061","","","","has coordinates,has disorder","258005","2020-10-21","18:00:00",""
"7241155","7.0657","0.0006","8.1092","0.0006","15.0924","0.0012","83.519","0.001","85.919","0.001","67.302","0.001","792.32","0.11","150","2","150","","","","","","","","","7","P -1","-P 1","2","","tetrakis(m2-Acetato')-bis((4-cyanopyridine-N)-copper(ii)) 1,4-diiodo tetrafluorobenzene","","- C13 H10 Cu F2 I N2 O4 -","- C13 H10 Cu F2 I N2 O4 -","- C26 H20 Cu2 F4 I2 N4 O8 -","2","1","","Torubaev, Yury; Skabitskiy, Ivan V.","New Supramolecular Heterosynthon [C-I∙∙∙O=C(carboxylate)] at Work: Engineering of the Copper Acetates Cocrystals.","CrystEngComm","2020","","","","","10.1039/D0CE01093F","","","0.71073","MoKα","","0.0358","0.0259","","","0.0566","0.0602","","","","","","1.026","","","","has coordinates","255789","2020-10-21","18:00:00",""
"7241156","7.4","0.0005","15.2947","0.0009","30.1955","0.0017","90","","97.02","0.002","90","","3391.9","0.4","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-coper(II) tetra-acetate 1,4-diiodo tetrafluorobenzene","","- C22 H20 Cu2 F8 I4 O10 -","- C22 H20 Cu2 F8 I4 O10 -","- C88 H80 Cu8 F32 I16 O40 -","4","1","","Torubaev, Yury; Skabitskiy, Ivan V.","New Supramolecular Heterosynthon [C-I∙∙∙O=C(carboxylate)] at Work: Engineering of the Copper Acetates Cocrystals.","CrystEngComm","2020","","","","","10.1039/D0CE01093F","","","0.71073","MoKα","","0.1369","0.0889","","","0.1867","0.2115","","","","","","1.077","","","","has coordinates","255789","2020-10-21","18:00:00",""
"7241157","15.1477","0.0005","4.3981","0.0002","11.08","0.0004","90","","97.422","0.001","90","","731.98","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-diiodo-tetrafluorobenzene acetic acid solvate","","- C10 H8 F4 I2 O4 -","- C10 H8 F4 I2 O4 -","- C20 H16 F8 I4 O8 -","2","0.5","","Torubaev, Yury; Skabitskiy, Ivan V.","New Supramolecular Heterosynthon [C-I∙∙∙O=C(carboxylate)] at Work: Engineering of the Copper Acetates Cocrystals.","CrystEngComm","2020","","","","","10.1039/D0CE01093F","","","0.71073","MoKα","","0.0264","0.0221","","","0.0357","0.0367","","","","","","1.152","","","","has coordinates","255789","2020-10-21","18:00:00",""
"7241158","8.7053","0.0003","14.5425","0.0005","15.3896","0.0005","90.191","0.001","98.112","0.001","97.898","0.001","1909.97","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","Di-coper(II) tetra-acetate 1,4-diiodo tetrafluorobenzene methanol solvate","","- C24 H28 Cu2 F8 I4 O12 -","- C24 H28 Cu2 F8 I4 O12 -","- C48 H56 Cu4 F16 I8 O24 -","2","1","","Torubaev, Yury; Skabitskiy, Ivan V.","New Supramolecular Heterosynthon [C-I∙∙∙O=C(carboxylate)] at Work: Engineering of the Copper Acetates Cocrystals.","CrystEngComm","2020","","","","","10.1039/D0CE01093F","","","0.71073","MoKα","","0.0716","0.049","","","0.0911","0.0985","","","","","","1.039","","","","has coordinates,has disorder","255789","2020-10-21","18:00:00",""
"7241159","9.186","0.007","11.456","0.008","12.719","0.01","105.944","0.015","91.465","0.013","92.25","0.013","1285.1","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H46 N16 O8 Zn4 -","- C46 H46 N16 O8 Zn4 -","- C46 H46 N16 O8 Zn4 -","1","0.5","","Chattopadhyay, Shouvik; Frontera, Antonio; Karmakar, Mainak","Methylene spacer regulated variation in supramolecular assembly of zinc(II) dicyanamide complexes with reduced Schiff base ligands: Synthesis, structure and DFT study","CrystEngComm","2020","","","","","10.1039/D0CE01105C","","","0.71073","MoKα","","0.0626","0.0495","","","0.1516","0.1734","","","","","","1.131","","","","has coordinates,has disorder","255790","2020-10-21","18:00:00",""
"7241160","15.2249","0.0012","15.4358","0.0013","24.04","0.002","90","","90","","90","","5649.6","0.8","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H56 N16 O8 Zn4 -","- C50 H56 N16 O8 Zn4 -","- C200 H224 N64 O32 Zn16 -","4","0.5","","Chattopadhyay, Shouvik; Frontera, Antonio; Karmakar, Mainak","Methylene spacer regulated variation in supramolecular assembly of zinc(II) dicyanamide complexes with reduced Schiff base ligands: Synthesis, structure and DFT study","CrystEngComm","2020","","","","","10.1039/D0CE01105C","","","0.71073","MoKα","","0.0677","0.0465","","","0.1278","0.144","","","","","","1.228","","","","has coordinates","255790","2020-10-21","18:00:00",""
"7241161","15.2598","0.0012","16.0078","0.0013","24.0526","0.0019","90","","90","","90","","5875.5","0.8","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C54 H64 N16 O8 Zn4 -","- C54 H64 N16 O8 Zn4 -","- C216 H256 N64 O32 Zn16 -","4","0.5","","Chattopadhyay, Shouvik; Frontera, Antonio; Karmakar, Mainak","Methylene spacer regulated variation in supramolecular assembly of zinc(II) dicyanamide complexes with reduced Schiff base ligands: Synthesis, structure and DFT study","CrystEngComm","2020","","","","","10.1039/D0CE01105C","","","0.71073","MoKα","","0.092","0.055","","","0.1433","0.1743","","","","","","1.096","","","","has coordinates","255790","2020-10-21","18:00:00",""
"7241162","11.8105","0.0002","11.8159","0.0002","14.7854","0.0003","81.763","0.001","69.718","0.001","73.452","0.001","1852.96","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 N2 O13 Zn3 -","- C36 H34 N2 O13 Zn3 -","- C72 H68 N4 O26 Zn6 -","2","1","","Lin, Yuhan; Yu, Liang; Wang, Hao; Li, Jing","Enhanced Fluorescence by Increasing Dimensionality: A Novel Three-Dimensional Luminescent Metal-Organic Framework with Rigidified Ligands","CrystEngComm","2020","","","","","10.1039/D0CE01092H","","","1.54178","CuKα","","0.0372","0.0347","","","0.1038","0.1065","","","","","","1.052","","","","has coordinates,has disorder","255791","2020-10-21","18:00:00",""
"7241163","13.7591","0.0006","13.7591","0.0006","24.7686","0.0015","90","","90","","90","","4689","0.4","120","2","120","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C28 H16 Ca2 O10.25 -","- C29 H16 Ca2 O9.44 -","- C116 H64 Ca8 O37.76 -","4","0.25","","Almáši, Miroslav; Zeleňák, Vladimír; Gyepes, Róbert; Zauška, Ľuboš; Bourrelly, Sandrine","A series of four novel alkaline earth metal‒organic frameworks constructed of Ca(ii), Sr(ii), Ba(ii) ions and tetrahedral MTB linker: structural diversity, stability study and low/high-pressure gas adsorption properties","RSC Advances","2020","10","54","32323","32334","10.1039/D0RA05145D","","","1.54178","CuKα","","0.1404","0.1211","","","0.3851","0.4089","","","","","","1.059","","","","has coordinates,has disorder","258130","2020-10-21","18:00:00",""
"7241164","15.6159","0.0006","21.5936","0.0008","28.5465","0.001","90","","102.488","0.001","90","","9398.2","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H32 N0 O16 Sr3 -","- C58 H32 O16 Sr3 -","- C232 H128 O64 Sr12 -","4","1","","Almáši, Miroslav; Zeleňák, Vladimír; Gyepes, Róbert; Zauška, Ľuboš; Bourrelly, Sandrine","A series of four novel alkaline earth metal‒organic frameworks constructed of Ca(ii), Sr(ii), Ba(ii) ions and tetrahedral MTB linker: structural diversity, stability study and low/high-pressure gas adsorption properties","RSC Advances","2020","10","54","32323","32334","10.1039/D0RA05145D","","","0.71073","MoKα","","0.1144","0.0647","","","0.1632","0.1792","","","","","","1.03","","","","has coordinates,has disorder","258130","2020-10-21","18:00:00",""
"7241165","30.7615","0.0016","11.9378","0.0006","25.851","0.002","90","","122.448","0.001","90","","8011","0.9","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H34 Ba3 O17 -","- C58 H34 Ba3 O17 -","- C232 H136 Ba12 O68 -","4","0.5","","Almáši, Miroslav; Zeleňák, Vladimír; Gyepes, Róbert; Zauška, Ľuboš; Bourrelly, Sandrine","A series of four novel alkaline earth metal‒organic frameworks constructed of Ca(ii), Sr(ii), Ba(ii) ions and tetrahedral MTB linker: structural diversity, stability study and low/high-pressure gas adsorption properties","RSC Advances","2020","10","54","32323","32334","10.1039/D0RA05145D","","","0.71073","MoKα","","0.0646","0.0397","","","0.0897","0.097","","","","","","1.048","","","","has coordinates","258130","2020-10-21","18:00:00",""
"7241166","12.4203","0.0006","22.333","0.0008","28.082","0.0012","90","","90","","90","","7789.5","0.6","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C58 H32 Ca4 O16 -","- C58 H32 Ca4 O16 -","- C232 H128 Ca16 O64 -","4","1","","Almáši, Miroslav; Zeleňák, Vladimír; Gyepes, Róbert; Zauška, Ľuboš; Bourrelly, Sandrine","A series of four novel alkaline earth metal‒organic frameworks constructed of Ca(ii), Sr(ii), Ba(ii) ions and tetrahedral MTB linker: structural diversity, stability study and low/high-pressure gas adsorption properties","RSC Advances","2020","10","54","32323","32334","10.1039/D0RA05145D","","","0.71073","MoKα","","0.1054","0.0572","","","0.1402","0.1622","","","","","","1.003","","","","has coordinates","258130","2020-10-21","18:00:00",""
"7241167","9.3026","0.0008","17.5625","0.0014","11.3369","0.0009","90","","94.35","0.001","90","","1846.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 N2 O17 Y2 -","- C28 H36 N2 O17 Y2 -","- C56 H72 N4 O34 Y4 -","2","0.5","","Liu, Hongyan; Liu, Yang; Meng, Yu; Shi, Xiaolei; Sun, Junshan; Zhao, Limin; Chen, Diming; Hao, Hongguo; Li, Dacheng; Dou, Jianmin; Han, Jun","Di-functional luminescent sensors based on Y3+ doped Eu3+ and Tb3+ coordination polymers: fast response and visible detection of Cr3+, Fe3+ ions in aqueous solutions and acetone","RSC Advances","2020","10","53","32232","32240","10.1039/D0RA06407F","","","0.71073","MoKα","","0.167","0.0938","","","0.2072","0.2286","","","","","","1.059","","","","has coordinates,has disorder","258003","2020-10-21","18:00:00",""
"7241168","8.7427","0.0006","11.4201","0.0007","12.4832","0.0009","82.935","0.006","73.455","0.007","75.613","0.006","1155.45","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H19 Br N O P S -","- C27 H19 Br N O P S -","- C54 H38 Br2 N2 O2 P2 S2 -","2","1","","Liu, Yang; Yao, Shijie; Wang, Chaoli; Zhang, Yahui; Hao, Wenyan","Copper(ii)-catalyzed tandem cyclization for the synthesis of benzo[d][1,3]thiazin-2-yl phosphonates involving C‒P and C‒S bond formation","RSC Advances","2020","10","53","32211","32215","10.1039/D0RA06671K","","x-ray","0.71073","MoKα","","0.0705","0.0465","","","0.1157","0.1287","","","","","","1.056","","","","has coordinates,has disorder","258006","2020-10-21","18:00:00",""
"7241169","13.3784","0.001","13.4372","0.001","22.8411","0.0017","79.854","0.004","86.664","0.004","82.954","0.003","4008.6","0.5","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H61 Cl6 Cu3 N6 O14 -","- C79 H61 Cl6 Cu3 N6 O14 -","- C158 H122 Cl12 Cu6 N12 O28 -","2","1","","Islam, Sakhiul; Pal, Baishakhi; Khan, Samim; Maity, Suvendu; Naaz, Sanobar; Ghosh, Prasanta; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Fabrication of Cu(II) based halobenzoate appended ladder polymers with efficient charge transport property","CrystEngComm","2020","","","","","10.1039/D0CE00831A","","","0.71073","MoKα","","0.1261","0.0922","","","0.2438","0.2673","","","","","","1.028","","","","has coordinates,has disorder","255813","2020-10-21","18:00:00",""
"7241170","13.3854","0.0007","13.4317","0.0007","23.086","0.0012","79.506","0.003","86.899","0.003","84.385","0.002","4058.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H60 Br6 Cu3 N6 O14 -","- C79 H60 Br6 Cu3 N6 O14.1 -","- C158 H120 Br12 Cu6 N12 O28.2 -","2","1","","Islam, Sakhiul; Pal, Baishakhi; Khan, Samim; Maity, Suvendu; Naaz, Sanobar; Ghosh, Prasanta; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Fabrication of Cu(II) based halobenzoate appended ladder polymers with efficient charge transport property","CrystEngComm","2020","","","","","10.1039/D0CE00831A","","","0.71073","MoKα","","0.1711","0.0734","","","0.1959","0.2426","","","","","","1.058","","","","has coordinates,has disorder","255813","2020-10-21","18:00:00",""
"7241171","11.3089","0.0017","15.195","0.002","26.307","0.004","90","","97.4256","0.0018","90","","4482.7","1.1","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H78 N6 O6 -","- C42 H78 N6 O6 -","- C168 H312 N24 O24 -","4","1","","Pierri, Giovanni; SCHETTINI, ROSARIA; Nuss, Juergen; Dinnebier, Robert E.; De Riccardis, Francesco; Izzo, Irene; Tedesco, Consiglia","Cyclic hexapeptoids with N-alkyl side chains: solid-state assembly and thermal behaviour","CrystEngComm","2020","","","","","10.1039/D0CE01136C","","","0.71073","MoKα","","0.0759","0.064","","","0.1736","0.1832","","","","","","1.054","","","","has coordinates,has disorder","255814","2020-10-21","18:00:00",""
"7241172","15.7262","0.0007","15.2346","0.0007","11.2115","0.0005","90","","92.194","0.002","90","","2684.1","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H90 N6 O6 -","- C48 H90 N6 O6 -","- C96 H180 N12 O12 -","2","0.5","","Pierri, Giovanni; SCHETTINI, ROSARIA; Nuss, Juergen; Dinnebier, Robert E.; De Riccardis, Francesco; Izzo, Irene; Tedesco, Consiglia","Cyclic hexapeptoids with N-alkyl side chains: solid-state assembly and thermal behaviour","CrystEngComm","2020","","","","","10.1039/D0CE01136C","","","1.54178","CuKα","","0.1255","0.0748","","","0.1963","0.2318","","","","","","1.026","","","","has coordinates","255814","2020-10-21","18:00:00",""
"7241173","15.254","0.005","14.838","0.005","11.247","0.003","90","","91.957","0.009","90","","2544.1","1.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H90 N6 O6 -","- C48 H90 N6 O6 -","- C96 H180 N12 O12 -","2","0.5","","Pierri, Giovanni; SCHETTINI, ROSARIA; Nuss, Juergen; Dinnebier, Robert E.; De Riccardis, Francesco; Izzo, Irene; Tedesco, Consiglia","Cyclic hexapeptoids with N-alkyl side chains: solid-state assembly and thermal behaviour","CrystEngComm","2020","","","","","10.1039/D0CE01136C","","","0.71073","MoKα","","0.2011","0.1075","","","0.2188","0.2732","","","","","","1.074","","","","has coordinates","255814","2020-10-21","18:00:00",""
"7241174","16.888","0.015","15.377","0.014","11.247","0.01","90","","103.204","0.01","90","","2843","4","360","2","360.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N3 O3 -","- C24 H19 N3 O3 -","- C96 H76 N12 O12 -","4","1","","Pierri, Giovanni; SCHETTINI, ROSARIA; Nuss, Juergen; Dinnebier, Robert E.; De Riccardis, Francesco; Izzo, Irene; Tedesco, Consiglia","Cyclic hexapeptoids with N-alkyl side chains: solid-state assembly and thermal behaviour","CrystEngComm","2020","","","","","10.1039/D0CE01136C","","","0.71073","MoKα","","0.2911","0.1524","","","0.3827","0.4591","","","","","","1.281","","","","has coordinates,has disorder","255814","2020-10-21","18:00:00",""
"7241175","14.6731","0.0011","15.3415","0.001","11.2315","0.0008","90","","108.98","0.003","90","","2390.8","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H78 N6 O6 -","- C42 H78 N6 O6 -","- C84 H156 N12 O12 -","2","0.5","","Pierri, Giovanni; SCHETTINI, ROSARIA; Nuss, Juergen; Dinnebier, Robert E.; De Riccardis, Francesco; Izzo, Irene; Tedesco, Consiglia","Cyclic hexapeptoids with N-alkyl side chains: solid-state assembly and thermal behaviour","CrystEngComm","2020","","","","","10.1039/D0CE01136C","","","1.54178","CuKα","","0.0804","0.0612","","","0.1815","0.2031","","","","","","1.033","","","","has coordinates,has disorder","255814","2020-10-21","18:00:00",""
"7241176","11.4106","0.0003","12.2137","0.0003","20.5158","0.0006","87.203","0.002","76.153","0.002","70.627","0.002","2617.46","0.13","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H32 N8 O4 Zn2 -","- C55 H32 N8 O14 Zn2 -","- C110 H64 N16 O28 Zn4 -","2","1","","Li, Shanji; Wen, Huawen; Yuan, Ningning; Xie, Pengbo; Qin, Jinlan; Wang, Zhengfang","Synthesis, characterization and computational studies of Zn complex based on the 8-hydroxyquinoline group containing benzimidazole","RSC Advances","2020","10","54","32490","32496","10.1039/D0RA05168C","","x-ray","1.54178","CuKα","","0.0841","0.0673","","","0.1809","0.1992","","","","","","1.04","","","","has coordinates","258131","2020-10-21","18:00:00",""
"7241177","8.8401","0.0002","15.7704","0.0003","16.9216","0.0005","90","","104.928","0.003","90","","2279.45","0.1","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N4 O3 -","- C28 H18 N4 O3 -","- C112 H72 N16 O12 -","4","1","","Li, Shanji; Wen, Huawen; Yuan, Ningning; Xie, Pengbo; Qin, Jinlan; Wang, Zhengfang","Synthesis, characterization and computational studies of Zn complex based on the 8-hydroxyquinoline group containing benzimidazole","RSC Advances","2020","10","54","32490","32496","10.1039/D0RA05168C","","x-ray","1.54184","CuKα","","0.0537","0.0431","","","0.1188","0.1309","","","","","","1.024","","","","has coordinates,has disorder","258131","2020-10-21","18:00:00",""
"7241178","9.934","0.002","8.36","0.002","23.571","0.006","90","","92.977","0.008","90","","1954.9","0.8","300","2","299.8","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N4 O3 -","- C22 H20 N4 O3 -","- C88 H80 N16 O12 -","4","1","","Nunes Costa, Rogeria; Choquesillo-Lazarte, Duane; Cuffini, Silvia Lucia; Pidcock, Elna; Infantes, Lourdes","Invitation to Submit: The Cambridge Structural Database - A wealth of knowledge gained from a million structures Optimization and comparison of statistical tools for the prediction of multicomponent forms of a molecule: the antiretroviral Nevirapine as a case study","CrystEngComm","2020","","","","","10.1039/D0CE00948B","","","0.71073","MoKα","","0.1339","0.0609","","","0.1165","0.1396","","","","","","1.038","","","","has coordinates,has disorder","255887","2020-10-21","18:00:00",""
"7241179","7.2706","0.0014","9.5902","0.0019","11.881","0.002","96.11","0.03","92.79","0.03","98.34","0.03","813.3","0.3","296.15","","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18.5 H17 N4 O2.5 -","- C18.5 H17 N4 O2.5 -","- C37 H34 N8 O5 -","2","1","","Nunes Costa, Rogeria; Choquesillo-Lazarte, Duane; Cuffini, Silvia Lucia; Pidcock, Elna; Infantes, Lourdes","Invitation to Submit: The Cambridge Structural Database - A wealth of knowledge gained from a million structures Optimization and comparison of statistical tools for the prediction of multicomponent forms of a molecule: the antiretroviral Nevirapine as a case study","CrystEngComm","2020","","","","","10.1039/D0CE00948B","","","1.54178","CuKα","","0.1332","0.0667","","","0.1582","0.2086","","","","","","1.025","","","","has coordinates,has disorder","255887","2020-10-21","18:00:00",""
"7241180","7.101","0.0003","9.4938","0.0004","12.0005","0.0005","95.619","0.002","92.881","0.002","99.035","0.002","793.37","0.06","120.04","","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18.5 H17 N4 O3 -","- C18.5 H17 N4 O3 -","- C37 H34 N8 O6 -","2","1","","Nunes Costa, Rogeria; Choquesillo-Lazarte, Duane; Cuffini, Silvia Lucia; Pidcock, Elna; Infantes, Lourdes","Invitation to Submit: The Cambridge Structural Database - A wealth of knowledge gained from a million structures Optimization and comparison of statistical tools for the prediction of multicomponent forms of a molecule: the antiretroviral Nevirapine as a case study","CrystEngComm","2020","","","","","10.1039/D0CE00948B","","","1.54178","CuKα","","0.1395","0.0863","","","0.2049","0.2485","","","","","","1.089","","","","has coordinates,has disorder","255887","2020-10-21","18:00:00",""
"7241181","28.153","0.005","7.245","0.0005","21.869","0.003","90","","120.14","0.01","90","","3857.5","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H11 N O8 Tb -","- C19 H11 N O8 Tb -","- C152 H88 N8 O64 Tb8 -","8","1","","Li, Zhang; Zhan, ZhiYing; Hu, Ming","A luminescent terbium coordination polymer as a multifunctional water-stable sensor for detection of Pb2+ ions, PO43- ions, Cr2O72- ions, and some amino acids","CrystEngComm","2020","","","","","10.1039/D0CE01101K","","","1.54184","CuKα","","0.0649","0.053","","","0.1464","0.1707","","","","","","1.081","","","","has coordinates","255888","2020-10-21","18:00:00",""
"7241182","7.8466","0.0002","9.8257","0.0003","20.3107","0.0007","90","","90","","90","","1565.92","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-methylhydantoin","1-methylimidazolidine-2,4-dione","","- C4 H6 N2 O2 -","- C4 H6 N2 O2 -","- C48 H72 N24 O24 -","12","3","","Nogueira, Bernardo Albuquerque; Milani, Alberto; Ogruc Ildiz, Gulce; Paixão, José; Castiglioni, Chiara; Fausto, Rui","Polymorphism in 1-Methylhydantoin: Investigation by Periodic DFT Calculations and Characterization of the Third Polymorph","CrystEngComm","2020","","","","","10.1039/D0CE01016B","","","0.71073","MoKα","","0.0598","0.0371","","","0.0829","0.0928","","","","","","1.045","","","","has coordinates","255909","2020-10-21","18:00:00",""
"7241183","11.8019","0.0001","5.804","","22.3747","0.0002","90","","90","","90","","1532.63","0.019","297","0.3","297","0.3","","","","","","","","5","P n a 21","P 2c -2n","33","","C18H15NO3S","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","1","","Gao, Mingxiao; Zhang, Xinyuan; Guo, Yangwu; Yao, Jiyong; Zhang, Guochun; Hu, Zhanggui; Wu, Yicheng","Rational Structure Design of Isoxazolone-based Crystals with Large Second-Order Optical Nonlinearity","CrystEngComm","2020","","","","","10.1039/D0CE01100B","","","1.54178","CuKα","","0.0287","0.0282","","","0.0724","0.0729","","","","","","1.067","","","","has coordinates","255910","2020-10-21","18:00:00",""
"7241184","26.8338","0.0004","5.8195","0.0001","11.9509","0.0002","90","","104.299","0.001","90","","1808.43","0.05","296.7","0.4","296.7","0.4","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H17 N O3 -","- C24 H17 N O3 -","- C96 H68 N4 O12 -","4","1","","Gao, Mingxiao; Zhang, Xinyuan; Guo, Yangwu; Yao, Jiyong; Zhang, Guochun; Hu, Zhanggui; Wu, Yicheng","Rational Structure Design of Isoxazolone-based Crystals with Large Second-Order Optical Nonlinearity","CrystEngComm","2020","","","","","10.1039/D0CE01100B","","","1.54178","CuKα","","0.0285","0.0283","","","0.082","0.0824","","","","","","1.082","","","","has coordinates","255910","2020-10-21","18:00:00",""
"7241185","8.1097","0.0012","14.367","0.0019","16.622","0.002","90","","98.194","0.002","90","","1916.9","0.4","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Cl F N O8 -","- C19 H15 Cl F N O8 -","- C76 H60 Cl4 F4 N4 O32 -","4","1","","Chen, Li; Huang, Rong; Li, Kun; Yun, Xing-Han; Yang, Chang-Long; Yan, Sheng-Jiao","An environmentally benign cascade reaction of chromone-3-carboxaldehydes with ethyl 2-(pyridine-2-yl)acetate derivatives for highly site-selective synthesis of quinolizines and quinolizinium salts in water","Green Chemistry","2020","22","20","6943","6953","10.1039/D0GC02460K","","","0.71073","MoKα","","0.0628","0.0431","","","0.1061","0.1193","","","","","","1.034","","","","has coordinates","258879","2020-11-06","12:33:30",""
"7241186","8.3108","0.0003","11.6756","0.0003","25.7039","0.0008","81.273","0.006","88.301","0.006","83.153","0.006","2447.51","0.14","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H33 N4 O10 P -","- C20 H33 N4 O10 P -","- C80 H132 N16 O40 P4 -","4","2","","Ma, Su; Kurihara, Seiji; Tomimori, Yasuhiro; Kim, Sunnam; Kwon, Eunsang; Muramatsu, Atsushi; Kanie, Kiyoshi","Self-assembly of photoresponsive azo-containing phospholipids with a polar group as the tail","RSC Advances","2020","10","54","32984","32991","10.1039/D0RA06803A","","x-ray","1.54187","CuKα","","0.1871","0.106","","","0.2386","0.2852","","","","","","0.914","","","","has coordinates","258129","2020-10-21","18:00:00",""
"7241187","12.8756","0.0006","17.0258","0.0007","14.8329","0.0008","90","","101.033","0.005","90","","3191.5","0.3","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O16 Zn3 -","- C29 H26 N2 O16 Zn3 -","- C116 H104 N8 O64 Zn12 -","4","1","","Chen, Junling; Li, Bo; Shi, Zhen-Zhen; He, Cheng; Duan, Chunying; Zhang, Tiexin; Wang, Liya","Crystal engineering of coordination-polymer-based iodine absorbents using π-electron-rich polycarboxylate aryl ether ligand","CrystEngComm","2020","","","","","10.1039/D0CE01004A","","x-ray","0.71073","MoKα","","0.0456","0.0343","","","0.0796","0.0837","","","","","","1.04","","","","has coordinates,has disorder","256210","2020-10-21","18:00:00",""
"7241188","10.2531","0.0002","12.2578","0.0003","15.779","0.0004","101.524","0.002","92.146","0.002","102.223","0.002","1892.49","0.08","105","3","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H12 I0.52 O14 Zn3 -","- C23 H12 I0.5231 O14 Zn3 -","- C46 H24 I1.0462 O28 Zn6 -","2","1","","Chen, Junling; Li, Bo; Shi, Zhen-Zhen; He, Cheng; Duan, Chunying; Zhang, Tiexin; Wang, Liya","Crystal engineering of coordination-polymer-based iodine absorbents using π-electron-rich polycarboxylate aryl ether ligand","CrystEngComm","2020","","","","","10.1039/D0CE01004A","","","0.71073","MoKα","","0.0503","0.0408","","","0.1174","0.1217","","","","","","1.078","","","","has coordinates","256210","2020-10-21","18:00:00",""
"7241189","10.12","0.0005","12.3807","0.0006","15.6793","0.0008","79.3","0.001","87.854","0.002","75.715","0.001","1870.59","0.16","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H12 O14 Zn3 -","- C23 H12 O14 Zn3 -","- C46 H24 O28 Zn6 -","2","1","","Chen, Junling; Li, Bo; Shi, Zhen-Zhen; He, Cheng; Duan, Chunying; Zhang, Tiexin; Wang, Liya","Crystal engineering of coordination-polymer-based iodine absorbents using π-electron-rich polycarboxylate aryl ether ligand","CrystEngComm","2020","","","","","10.1039/D0CE01004A","","","0.71073","MoKα","","0.0628","0.0443","","","0.1028","0.1084","","","","","","1.043","","","","has coordinates,has disorder","256210","2020-10-21","18:00:00",""
"7241190","17.6198","0.0004","11.9264","0.0003","14.1457","0.0004","90","","90","","90","","2972.59","0.13","293","2","293","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C23 H18 O17 Zn3 -","- C23 H18 O17 Zn3 -","- C46 H36 O34 Zn6 -","2","0.5","","Chen, Junling; Li, Bo; Shi, Zhen-Zhen; He, Cheng; Duan, Chunying; Zhang, Tiexin; Wang, Liya","Crystal engineering of coordination-polymer-based iodine absorbents using π-electron-rich polycarboxylate aryl ether ligand","CrystEngComm","2020","","","","","10.1039/D0CE01004A","","x-ray","0.71073","MoKα","","0.0528","0.0381","","","0.087","0.0928","","","","","","1.001","","","","has coordinates,has disorder","256210","2020-10-21","18:00:00",""
"7241191","6.1202","0.0005","6.1202","0.0005","3.6957","0.0003","90","","90","","120","","119.883","0.017","173","2","173","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Bi F3 H2 O -","- Bi F3 H2.0004 O -","- Bi2 F6 H4.0008 O2 -","2","0.166667","","Liu, Xian; Yang, Can; Wu, Qi; Sun, Juan; Liang, Fei","From BiF3 to BiF3·H2O: Diverse Bi(Ⅲ) Coordination for Structural Transformation and Birefringence Regulation","CrystEngComm","2020","","","","","10.1039/D0CE01213K","","","0.71073","MoKα","","0.0419","0.0371","","","0.0878","0.0921","","","","","","1.298","","","","has coordinates","256237","2020-10-21","18:00:00",""
"7241192","14.865","0.002","15.836","0.003","19.119","0.003","84.748","0.004","89.922","0.004","87.094","0.004","4476","1.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H50 Cd4 N10 O22 -","- C82 H50 Cd4 N8 O22 -","- C164 H100 Cd8 N16 O44 -","2","1","","Guo, Ruihong; Gao, Lingling; Liang, Jinxia; Zhang, Zhikai; Zhang, Jie; Niu, Xiao-Yan; Hu, Tuoping","Two tetranuclear Cd-based metal-organic frameworks for sensitive sensing of TNP/Fe3+ in aqueous medium and gas adsorption","CrystEngComm","2020","","","","","10.1039/D0CE01193B","","","0.71073","MoKα","","0.1267","0.0675","","","0.1607","0.187","","","","","","1.031","","","","has coordinates","256238","2020-10-21","18:00:00",""
"7241193","11.6552","0.0004","14.9367","0.0007","19.7696","0.0008","90","","102.314","0.001","90","","3362.5","0.2","150.15","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H22 Cd2 N4 O11 -","- C35 H22 Cd2 N4 O11 -","- C140 H88 Cd8 N16 O44 -","4","1","","Guo, Ruihong; Gao, Lingling; Liang, Jinxia; Zhang, Zhikai; Zhang, Jie; Niu, Xiao-Yan; Hu, Tuoping","Two tetranuclear Cd-based metal-organic frameworks for sensitive sensing of TNP/Fe3+ in aqueous medium and gas adsorption","CrystEngComm","2020","","","","","10.1039/D0CE01193B","","","0.71073","MoKα","","0.0536","0.043","","","0.0834","0.0865","","","","","","1.147","","","","has coordinates,has disorder","256238","2020-10-21","18:00:00",""
"7241194","9.8032","0.0004","18.8923","0.0008","22.6814","0.0007","90","","90","","90","","4200.7","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N2 O8 Zn -","- C22 H20 N2 O8 Zn -","- C176 H160 N16 O64 Zn8 -","8","1","","Chen, Man-Ting; Xie, Xiao-Dan; Meng, Jin-Xiu; Ou, Yong-Cong; Wu, Jian-Zhong; Tong, Ming-Liang","Tunable Photoluminescence in Flexible Carboxylate Ligands-Based Coordination Polymers with Interesting Topologies and Fe3+ Sensitivity","CrystEngComm","2020","","","","","10.1039/D0CE01043J","","","1.54178","CuKα","","0.1015","0.0768","","","0.2002","0.224","","","","","","1.039","","","","has coordinates,has disorder","256289","2020-10-21","18:00:00",""
"7241195","12.2574","0.0006","13.4329","0.0006","18.4947","0.0008","90","","94.667","0.002","90","","3035.1","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 O12 Zn2 -","- C10 H15.5 O12 Zn2 -","- C80 H124 O96 Zn16 -","8","1","","Chen, Man-Ting; Xie, Xiao-Dan; Meng, Jin-Xiu; Ou, Yong-Cong; Wu, Jian-Zhong; Tong, Ming-Liang","Tunable Photoluminescence in Flexible Carboxylate Ligands-Based Coordination Polymers with Interesting Topologies and Fe3+ Sensitivity","CrystEngComm","2020","","","","","10.1039/D0CE01043J","","","0.71073","MoKα","","0.0484","0.0348","","","0.0775","0.0837","","","","","","1.06","","","","has coordinates,has disorder","256289","2020-10-21","18:00:00",""
"7241196","8.1309","0.0009","11.1211","0.0011","12.0204","0.0011","82.746","0.008","82.652","0.008","83.543","0.008","1064.25","0.19","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 N3 O9 Zn -","- C20 H25 N3 O9 Zn -","- C40 H50 N6 O18 Zn2 -","2","1","","Chen, Man-Ting; Xie, Xiao-Dan; Meng, Jin-Xiu; Ou, Yong-Cong; Wu, Jian-Zhong; Tong, Ming-Liang","Tunable Photoluminescence in Flexible Carboxylate Ligands-Based Coordination Polymers with Interesting Topologies and Fe3+ Sensitivity","CrystEngComm","2020","","","","","10.1039/D0CE01043J","","","0.71073","MoKα","","0.0556","0.0468","","","0.1098","0.1167","","","","","","1.046","","","","has coordinates","256289","2020-10-21","18:00:00",""
"7241197","8.6953","0.0014","10.2001","0.0011","16.7973","0.0018","90","","104.53","0.012","90","","1442.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N O8 Zn2 -","- C15 H12 N O8 Zn2 -","- C60 H48 N4 O32 Zn8 -","4","1","","Chen, Man-Ting; Xie, Xiao-Dan; Meng, Jin-Xiu; Ou, Yong-Cong; Wu, Jian-Zhong; Tong, Ming-Liang","Tunable Photoluminescence in Flexible Carboxylate Ligands-Based Coordination Polymers with Interesting Topologies and Fe3+ Sensitivity","CrystEngComm","2020","","","","","10.1039/D0CE01043J","","","1.54178","CuKα","","0.0445","0.0314","","","0.0655","0.0682","","","","","","0.906","","","","has coordinates","256289","2020-10-21","18:00:00",""
"7241198","25.1315","0.0006","11.8428","0.0003","15.9866","0.0003","90","","90","","90","","4758.05","0.19","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H20 N2 O4 Zn -","- C20 H20 N2 O4 Zn -","- C160 H160 N16 O32 Zn8 -","8","1","","Chen, Man-Ting; Xie, Xiao-Dan; Meng, Jin-Xiu; Ou, Yong-Cong; Wu, Jian-Zhong; Tong, Ming-Liang","Tunable Photoluminescence in Flexible Carboxylate Ligands-Based Coordination Polymers with Interesting Topologies and Fe3+ Sensitivity","CrystEngComm","2020","","","","","10.1039/D0CE01043J","","","1.54178","CuKα","","0.0697","0.0617","","","0.1989","0.2106","","","","","","1.059","","","","has coordinates","256289","2020-10-21","18:00:00",""
"7241199","15.252","0.004","11.926","0.002","10.272","0.004","90","","108.83","0.03","90","","1768.4","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br2 N2 O4 -","- C18 H14 Br2 N2 O4 -","- C72 H56 Br8 N8 O16 -","4","1","","Rok, Magdalena; Moskwa, Marcin; Dopieralski, Przemyslaw; Medycki, Wojciech; Zamponi, Michaela; Bator, Grazyna","The influence of structure on the methyl group dynamics of the polymorphic complexes: 6,6'-dimethyl-2,2'-dipyridyl with halo derivatives of benzoquinone acids","CrystEngComm","2020","","","","","10.1039/D0CE00973C","","","0.71073","MoKα","","0.0499","0.0429","","","0.1098","0.1158","","","","","","1.031","","","","has coordinates","256291","2020-10-21","18:00:00",""
"7241200","10.026","0.002","10.281","0.002","10.526","0.002","110.26","0.02","92.56","0.02","113.13","0.02","915.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 I2 N2 O4 -","- C18 H14 I2 N2 O4 -","- C36 H28 I4 N4 O8 -","2","1","","Rok, Magdalena; Moskwa, Marcin; Dopieralski, Przemyslaw; Medycki, Wojciech; Zamponi, Michaela; Bator, Grazyna","The influence of structure on the methyl group dynamics of the polymorphic complexes: 6,6'-dimethyl-2,2'-dipyridyl with halo derivatives of benzoquinone acids","CrystEngComm","2020","","","","","10.1039/D0CE00973C","","","0.71073","MoKα","","0.0205","0.0193","","","0.0531","0.0541","","","","","","1.067","","","","has coordinates","256291","2020-10-21","18:00:00",""
"7241201","7.792","0.004","9.705","0.003","9.938","0.005","94.41","0.04","106.41","0.05","110.28","0.03","663.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 Br N2 O2 -","- C15 H13 Br N2 O2 -","- C30 H26 Br2 N4 O4 -","2","1","","Rok, Magdalena; Moskwa, Marcin; Dopieralski, Przemyslaw; Medycki, Wojciech; Zamponi, Michaela; Bator, Grazyna","The influence of structure on the methyl group dynamics of the polymorphic complexes: 6,6'-dimethyl-2,2'-dipyridyl with halo derivatives of benzoquinone acids","CrystEngComm","2020","","","","","10.1039/D0CE00973C","","","0.71073","MoKα","","0.0295","0.0259","","","0.0544","0.0556","","","","","","1.047","","","","has coordinates","256291","2020-10-21","18:00:00",""
"7241202","12.9799","0.0006","12.19","0.0007","15.9375","0.0008","90","","102.703","0.005","90","","2460","0.2","100","","100","","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","","[Tbu]ASC","","- C43 H68 N10 O8 S2 -","- C43 H68 N10 O8 S2 -","- C86 H136 N20 O16 S4 -","2","1","","Asano, Akiko; Minoura, Katsuhiko; Kojima, Yuki; Yoshii, Taishi; Ito, Ryoya; Yamada, Takeshi; Kato, Takuma; Doi, Mitsunobu","NMR-based quantitative studies of the conformational equilibrium between their square and folded forms of ascidiacyclamide and its analogues","RSC Advances","2020","10","55","33317","33326","10.1039/D0RA07396B","","","1.54178","CuKα","","0.1108","0.0993","","","0.2545","0.2599","","","","","","0.858","","","","has coordinates,has disorder","257992","2020-10-21","18:00:00",""
"7241203","15.917","0.003","12.1964","0.0019","12.962","0.002","90","","102.303","0.002","90","","2458.5","0.7","240","2","240","2","","","","","","","synthesis","5","C 1 2 1","C 2y","5","","cyclo(Tle-Oxz-D-Val-Thz-Ile-Oxz-D-Val-Thz).DMF","","- C42 H66 N10 O8 S2 -","- C42 H66 N10 O8 S2 -","- C84 H132 N20 O16 S4 -","2","0.5","","Asano, Akiko; Minoura, Katsuhiko; Kojima, Yuki; Yoshii, Taishi; Ito, Ryoya; Yamada, Takeshi; Kato, Takuma; Doi, Mitsunobu","NMR-based quantitative studies of the conformational equilibrium between their square and folded forms of ascidiacyclamide and its analogues","RSC Advances","2020","10","55","33317","33326","10.1039/D0RA07396B","","","0.71073","MoKα","","0.1005","0.0962","","","0.2606","0.2644","","","","","","1.153","","","","has coordinates,has disorder","257992","2020-10-21","18:00:00",""
"7241204","12.9682","0.0009","12.9682","0.0009","30.798","0.003","90","","90","","90","","5179.4","0.7","200","2","200","2","","","","","","","synthesis","5","P 41","P 4w","76","","cyclo(Chg-Oxz-D-Val-Thz-Ile-Oxz-D-Val-Thz).H2O.2DMA","","- C46 H74 N10 O9 S2 -","- C46 H74 N10 O9 S2 -","- C184 H296 N40 O36 S8 -","4","1","","Asano, Akiko; Minoura, Katsuhiko; Kojima, Yuki; Yoshii, Taishi; Ito, Ryoya; Yamada, Takeshi; Kato, Takuma; Doi, Mitsunobu","NMR-based quantitative studies of the conformational equilibrium between their square and folded forms of ascidiacyclamide and its analogues","RSC Advances","2020","10","55","33317","33326","10.1039/D0RA07396B","","","0.71073","MoKα","","0.0907","0.0799","","","0.2149","0.2243","","","","","","1.034","","","","has coordinates","257992","2020-10-21","18:00:00",""
"7241205","27.1581","0.0011","27.1581","0.0011","10.8428","0.0005","90","","90","","90","","7997.2","0.6","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C22 H14 O5 Pb2 -","- C22 H14 O5 Pb2 -","- C352 H224 O80 Pb32 -","16","1","","Hammer, Arden C.; Jia, Xiwen; Zeller, Matthias; Coughlin, Ezra John; Zhang, Weiguo; Oertel, Catherine M.","Ligand Geometry Directs the Packing and Symmetry of One-Dimensional Helical Motifs in Lead Oxide Naphthoates and Biphenylcarboxylates","CrystEngComm","2020","","","","","10.1039/D0CE01150A","","","0.71073","MoKα","","0.0441","0.0314","","","0.0621","0.0696","","","","","","1.142","","","","has coordinates","256335","2020-10-21","18:00:00",""
"7241206","30.3539","0.0011","10.9884","0.0004","30.8061","0.0011","90","","113.913","0.0013","90","","9393.1","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 O10 Pb4 -","- C52 H36 O10 Pb4 -","- C416 H288 O80 Pb32 -","8","2","","Hammer, Arden C.; Jia, Xiwen; Zeller, Matthias; Coughlin, Ezra John; Zhang, Weiguo; Oertel, Catherine M.","Ligand Geometry Directs the Packing and Symmetry of One-Dimensional Helical Motifs in Lead Oxide Naphthoates and Biphenylcarboxylates","CrystEngComm","2020","","","","","10.1039/D0CE01150A","","","1.54178","CuKα","","0.0309","0.0271","","","0.0624","0.0644","","","","","","1.077","","","","has coordinates,has disorder","256335","2020-10-21","18:00:00",""
"7241207","11.0324","0.0008","50.385","0.004","16.6466","0.0014","90","","96.0445","0.0016","90","","9201.9","1.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 O5 Pb2 -","- C26 H18 O5 Pb2 -","- C416 H288 O80 Pb32 -","16","4","","Hammer, Arden C.; Jia, Xiwen; Zeller, Matthias; Coughlin, Ezra John; Zhang, Weiguo; Oertel, Catherine M.","Ligand Geometry Directs the Packing and Symmetry of One-Dimensional Helical Motifs in Lead Oxide Naphthoates and Biphenylcarboxylates","CrystEngComm","2020","","","","","10.1039/D0CE01150A","","","0.71073","MoKα","","0.0627","0.0387","","","0.0818","0.0929","","","","","","1.034","","","","has coordinates,has disorder","256335","2020-10-21","18:00:00",""
"7241208","35.3686","0.0018","10.869","0.0005","27.3181","0.0013","90","","127.839","0.0016","90","","8293.5","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C176 H112 O41.42 Pb16 -","- C176 H114.488 O41.244 Pb16 -","- C352 H228.976 O82.488 Pb32 -","2","0.25","","Hammer, Arden C.; Jia, Xiwen; Zeller, Matthias; Coughlin, Ezra John; Zhang, Weiguo; Oertel, Catherine M.","Ligand Geometry Directs the Packing and Symmetry of One-Dimensional Helical Motifs in Lead Oxide Naphthoates and Biphenylcarboxylates","CrystEngComm","2020","","","","","10.1039/D0CE01150A","","","0.71073","MoKα","","0.0275","0.0235","","","0.0528","0.0541","","","","","","1.123","","","","has coordinates","256335","2020-10-21","18:00:00",""
"7241209","21.255","0.003","21.255","0.003","10.872","0.0008","90","","90","","90","","4911.7","1","296","2","296","2","","","","","","","","4","P 41","P 4w","76","","","","- C26 H18 O5 Pb2 -","- C26 H18 O5 Pb2 -","- C208 H144 O40 Pb16 -","8","2","","Hammer, Arden C.; Jia, Xiwen; Zeller, Matthias; Coughlin, Ezra John; Zhang, Weiguo; Oertel, Catherine M.","Ligand Geometry Directs the Packing and Symmetry of One-Dimensional Helical Motifs in Lead Oxide Naphthoates and Biphenylcarboxylates","CrystEngComm","2020","","","","","10.1039/D0CE01150A","","","0.71073","MoKα","","0.0623","0.0335","","","0.068","0.0746","","","","","","0.956","","","","has coordinates,has disorder","256335","2020-10-21","18:00:00",""
"7241210","13.6803","0.0013","13.8392","0.0013","14.6811","0.0015","101.399","0.002","99.384","0.002","116.889","0.002","2326.6","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Cd1.5 N5 O9 -","- C42 H40 Cd1.5 N5 O9 -","- C84 H80 Cd3 N10 O18 -","2","1","","Wang, Xiuli; Liu, Yu; Lin, Hongyan; Xu, Na; Liu, Guocheng; Wang, Xiang; Chang, Zhi-Han; Li, Jianrong","A novel cadmium metal-organic framework-based multiresponsive fluorescent sensor demonstrating the outstanding sensitivities and selectivities for detecting NB, Fe3+ ions and Cr2O72− anions","CrystEngComm","2020","","","","","10.1039/D0CE01139H","","x-ray","0.71073","MoKα","","0.0638","0.0402","","","0.0905","0.1002","","","","","","1.047","","","","has coordinates","256336","2020-10-21","18:00:00",""
"7241211","9.8569","0.0008","18.7251","0.0016","16.023","0.0014","90","","98.831","0.003","90","","2922.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cd N4 O9 -","- C30 H30 Cd N4 O9 -","- C120 H120 Cd4 N16 O36 -","4","1","","Chen, Chia-Jou; Lee, Wei-Te; Hu, Ji-Hong; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Structural Diversity and Modification in Ni(II) Coordination Polymers: Peculiar Phenomenon of Reversible Structural Transformation between 1D Ladder and 2D Layer","CrystEngComm","2020","","","","","10.1039/D0CE01170C","","","0.71073","MoKα","","0.0384","0.0289","","","0.066","0.0705","","","","","","1.053","","","","has coordinates,has disorder","256337","2020-10-21","18:00:00",""
"7241212","10.0292","0.0004","11.1247","0.0005","15.8806","0.0007","92.7397","0.0015","90.0977","0.0014","104.7","0.0013","1711.7","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N4 Ni O9 -","- C30 H26 N4 Ni O9 -","- C60 H52 N8 Ni2 O18 -","2","1","","Chen, Chia-Jou; Lee, Wei-Te; Hu, Ji-Hong; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Structural Diversity and Modification in Ni(II) Coordination Polymers: Peculiar Phenomenon of Reversible Structural Transformation between 1D Ladder and 2D Layer","CrystEngComm","2020","","","","","10.1039/D0CE01170C","","","0.71073","MoKα","","0.0754","0.0629","","","0.1713","0.1803","","","","","","1.076","","","","has coordinates,has disorder","256337","2020-10-21","18:00:00",""
"7241213","21.5344","0.0003","10.2575","0.0001","18.2419","0.0002","90","","95.4191","0.0006","90","","4011.43","0.08","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N2 O5 Zn -","- C21 H19 N2 O5 Zn -","- C168 H152 N16 O40 Zn8 -","8","1","","Chen, Chia-Jou; Lee, Wei-Te; Hu, Ji-Hong; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Structural Diversity and Modification in Ni(II) Coordination Polymers: Peculiar Phenomenon of Reversible Structural Transformation between 1D Ladder and 2D Layer","CrystEngComm","2020","","","","","10.1039/D0CE01170C","","","0.71073","MoKα","","0.0429","0.0353","","","0.0885","0.0927","","","","","","1.057","","","","has coordinates,has disorder","256337","2020-10-21","18:00:00",""
"7241214","14.5085","0.0005","16.3024","0.0005","15.659","0.0005","90","","113.583","0.002","90","","3394.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 N4 Ni O9 -","- C33 H38 N4 Ni O9 -","- C132 H152 N16 Ni4 O36 -","4","1","","Chen, Chia-Jou; Lee, Wei-Te; Hu, Ji-Hong; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Structural Diversity and Modification in Ni(II) Coordination Polymers: Peculiar Phenomenon of Reversible Structural Transformation between 1D Ladder and 2D Layer","CrystEngComm","2020","","","","","10.1039/D0CE01170C","","","0.71073","MoKα","","0.1395","0.0694","","","0.1721","0.2023","","","","","","1.012","","","","has coordinates,has disorder","256337","2020-10-21","18:00:00",""
"7241215","31.829","0.003","9.6745","0.001","25.802","0.003","90","","110.736","0.006","90","","7430.5","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H42 N6 Ni O11.5 -","- C39 H42 N6 Ni O11.5 -","- C312 H336 N48 Ni8 O92 -","8","1","","Chen, Chia-Jou; Lee, Wei-Te; Hu, Ji-Hong; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Structural Diversity and Modification in Ni(II) Coordination Polymers: Peculiar Phenomenon of Reversible Structural Transformation between 1D Ladder and 2D Layer","CrystEngComm","2020","","","","","10.1039/D0CE01170C","","","0.71073","MoKα","","0.0775","0.0524","","","0.1265","0.1394","","","","","","1.032","","","","has coordinates,has disorder","256337","2020-10-21","18:00:00",""
"7241216","17.14","0.003","18.38","0.003","12.352","0.002","90","","103.53","0.003","90","","3783.3","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4d","","- C37 H39 N O5 S -","- C37 H39 N O5 S -","- C148 H156 N4 O20 S4 -","4","1","","Wang, Junwei; Pan, Xiang; Rong, Quanjin; Zhao, Lei; Zhao, Lin; Dai, Weichen; Zhao, Kun; Hu, Lihong","One-pot synthesis of indoles and quinolinones from ortho-tosylaminophenyl-substituted para-quinone methides","RSC Advances","2020","10","55","33455","33460","10.1039/D0RA05497F","","","0.71073","MoKα","","0.0678","0.048","","","0.1392","0.1553","","","","","","1.047","","","","has coordinates","257991","2020-10-21","18:00:00",""
"7241217","9.4365","0.0005","9.6809","0.0007","20.5558","0.0011","89.393","0.003","88.231","0.003","74.156","0.003","1805.64","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Br N S2 -","- C21 H14 Br N S2 -","- C84 H56 Br4 N4 S8 -","4","2","","Qi, Liang; Liu, Shiwen; Xiao, Linxia","Regio- and stereoselective thiocyanatothiolation of alkynes and alkenes by using NH4SCN and N-thiosuccinimides","RSC Advances","2020","10","55","33450","33454","10.1039/D0RA06913B","","","0.71073","MoKα","","0.0927","0.0537","","","0.1525","0.1764","","","","","","0.984","","","","has coordinates","257990","2020-10-21","18:00:00",""
"7241218","24.293","0.008","24.293","0.008","9.537","0.005","90","","90","","120","","4874","3","296","2","296","2","","","","","","","","5","P -3","-P 3","147","","","","- C132 H123 Mn18 N18 O73 -","- C132 H108 Mn18 N18 O66 -","- C132 H108 Mn18 N18 O66 -","1","0.166667","","Li, Ning-Fang; Han, Ye-Min; Li, Jia-Nian; Cao, Jia-Peng; Du, Ze-Yu; Xu, Yan","Two 3D Mn-based coordination polymers: synthesis, structure and magnetocaloric effect","RSC Advances","2020","10","56","33628","33634","10.1039/D0RA05926A","","","0.71073","MoKα","","0.0459","0.0365","","","0.1071","0.1114","","","","","","1.081","","","","has coordinates,has disorder","258020","2020-10-21","18:00:00",""
"7241219","15.513","0.002","10.486","0.002","22.374","0.004","90","","107.311","0.003","90","","3474.7","1","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H58 Mn6 N8 O27 -","- C62 H58 Mn6 N8 O27 -","- C124 H116 Mn12 N16 O54 -","2","0.25","","Li, Ning-Fang; Han, Ye-Min; Li, Jia-Nian; Cao, Jia-Peng; Du, Ze-Yu; Xu, Yan","Two 3D Mn-based coordination polymers: synthesis, structure and magnetocaloric effect","RSC Advances","2020","10","56","33628","33634","10.1039/D0RA05926A","","","0.71073","MoKα","","0.0308","0.0268","","","0.067","0.0692","","","","","","1.037","","","","has coordinates,has disorder","258020","2020-10-21","18:00:00",""
"7241220","7.7192","0.0003","18.9505","0.0007","19.3675","0.0012","90","","98.008","0.005","90","","2805.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10.5 H14 Cd N0 O8 -","- C10.5 H14 Cd O8 -","- C84 H112 Cd8 O64 -","8","1","","Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Liu, Zhiliang; Wang, Suna; Tian, Haiquan","Proton conduction studies on four porous and nonporous coordination polymers with different acidity and water uptake","CrystEngComm","2020","","","","","10.1039/D0CE01197E","","","1.54184","CuKα","","0.066","0.0541","","","0.1446","0.1546","","","","","","1.068","","","","has coordinates,has disorder","256372","2020-10-21","18:00:00",""
"7241221","9.7846","0.0006","15.8653","0.001","16.2608","0.0014","65.276","0.007","83.245","0.006","73.817","0.005","2202","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H34 Br4 N4 Ni2 O13 -","- C41 H34 Br4 N4 Ni2 O13 -","- C82 H68 Br8 N8 Ni4 O26 -","2","1","","Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Liu, Zhiliang; Wang, Suna; Tian, Haiquan","Proton conduction studies on four porous and nonporous coordination polymers with different acidity and water uptake","CrystEngComm","2020","","","","","10.1039/D0CE01197E","","","1.54184","CuKα","","0.1229","0.065","","","0.1547","0.1908","","","","","","1.003","","","","has coordinates","256372","2020-10-21","18:00:00",""
"7241222","8.3958","0.0008","12.1818","0.0011","15.1802","0.0014","102.597","0.008","95.828","0.008","94.332","0.008","1499.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 N2 Ni O12 -","- C31 H30 N2 Ni O12 -","- C62 H60 N4 Ni2 O24 -","2","1","","Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Liu, Zhiliang; Wang, Suna; Tian, Haiquan","Proton conduction studies on four porous and nonporous coordination polymers with different acidity and water uptake","CrystEngComm","2020","","","","","10.1039/D0CE01197E","","","1.54184","CuKα","","0.1395","0.0721","","","0.1714","0.2108","","","","","","0.876","","","","has coordinates","256372","2020-10-21","18:00:00",""
"7241223","14.8925","0.0019","11.1228","0.0013","18.0572","0.0018","90","","91.812","0.01","90","","2989.6","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H15 Cd0 Co0.5 N O6 -","- C15.5 H15 Co0.5 N O6 -","- C124 H120 Co4 N8 O48 -","8","1","","Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Liu, Zhiliang; Wang, Suna; Tian, Haiquan","Proton conduction studies on four porous and nonporous coordination polymers with different acidity and water uptake","CrystEngComm","2020","","","","","10.1039/D0CE01197E","","","1.54184","CuKα","","0.063","0.0464","","","0.109","0.1188","","","","","","1.034","","","","has coordinates","256372","2020-10-21","18:00:00",""
"7241224","9.61101","0.00018","10.7261","0.0002","15.5952","0.0003","90","","90","","90","","1607.69","0.05","296.63","0.16","296.63","0.16","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","","Zhu, Lixiang; Ren, Xiaoyu; Du, Juan; Wu, Jia-Hong; Tan, Jian-Ping; Che, Jixing; Pan, Jianke; Wang, Tianli","A transition-metal-free multicomponent reaction towards constructing chiral 2H-1,4-benzoxazine scaffolds","Green Chemistry","2020","22","21","7506","7512","10.1039/D0GC02134B","","x-ray","1.54184","CuKα","","0.0748","0.0726","","","0.1591","0.164","","","","","","1.115","","","","has coordinates","258882","2020-11-06","12:34:04",""
"7241225","8.4921","0.0002","13.5753","0.0004","15.0981","0.0005","90","","90","","90","","1740.55","0.09","295.88","0.16","295.88","0.16","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Zhu, Lixiang; Ren, Xiaoyu; Du, Juan; Wu, Jia-Hong; Tan, Jian-Ping; Che, Jixing; Pan, Jianke; Wang, Tianli","A transition-metal-free multicomponent reaction towards constructing chiral 2H-1,4-benzoxazine scaffolds","Green Chemistry","2020","22","21","7506","7512","10.1039/D0GC02134B","","x-ray","1.54184","CuKα","","0.069","0.0666","","","0.1623","0.1667","","","","","","1.116","","","","has coordinates","258882","2020-11-06","12:34:05",""
"7241226","8.352","0.0009","5.7066","0.0006","22.623","0.002","90","","91.45","0.003","90","","1077.9","0.19","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","2","","Wang, Pei-Long; Shen, Hui-Zhi; Cheng, Hui-Hui; Gao, Hui; Li, Pin-Hua","Electrochemical esterification reaction of alkynes with diols via cleavage of carbon–carbon triple bonds without catalyst and oxidant","Green Chemistry","2020","22","20","6783","6791","10.1039/D0GC02193H","","","0.71073","MoKα","","0.0594","0.045","","","0.135","0.1507","","","","","","0.961","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7241227","8.7517","0.0001","11.7055","0.0001","19.7505","0.0002","90","","101.925","0.001","90","","1979.64","0.04","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","111","","- C22 H21 N O4 S -","- C22 H21 N O4 S -","- C88 H84 N4 O16 S4 -","4","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","1.54184","CuKα","","0.0399","0.0355","","","0.0997","0.1028","","","","","","1.067","","","","has coordinates","258878","2020-11-06","12:33:20",""
"7241228","13.9122","0.001","12.1203","0.0009","14.5292","0.0011","90","","103.724","0.008","90","","2380","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Cl2 N O5 S -","- C23 H25 Cl2 N O5 S -","- C92 H100 Cl8 N4 O20 S4 -","4","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","0.71073","MoKα","","0.0739","0.0436","","","0.1083","0.1263","","","","","","1.035","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241229","10.7314","0.0018","10.99","0.002","12.275","0.003","71.712","0.017","69.196","0.017","68.46","0.016","1230.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 Cl2 N O4 S -","- C24 H25 Cl2 N O4 S -","- C48 H50 Cl4 N2 O8 S2 -","2","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","0.71073","MoKα","","0.1394","0.0668","","","0.1672","0.2251","","","","","","1.017","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241230","9.5153","0.001","17.8775","0.0017","24.2427","0.0018","90","","90","","90","","4123.9","0.7","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N O6 S -","- C22 H21 N O6 S -","- C176 H168 N8 O48 S8 -","8","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","0.71073","MoKα","","0.095","0.0491","","","0.1199","0.1584","","","","","","1.025","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241231","12.239","0.005","19.008","0.007","20.975","0.008","90","","100.52","0.006","90","","4798","3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O2 S -","- C16 H19 N O2 S -","- C192 H228 N12 O24 S12 -","12","3","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","","0.71073","MoKα","","0.231","0.1242","","","0.3124","0.3852","","","","","","1.103","","","","has coordinates,has disorder","258878","2020-11-06","12:33:21",""
"7241232","12.0121","0.0017","9.9422","0.0014","15.9636","0.0019","90","","99.105","0.013","90","","1882.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","0.71073","MoKα","","0.1209","0.0608","","","0.1178","0.1489","","","","","","0.926","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241233","11.9374","0.0002","18.7941","0.0002","16.6525","0.0002","90","","95.525","0.001","90","","3718.68","0.09","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N O4 S -","- C21 H19 N O4 S -","- C168 H152 N8 O32 S8 -","8","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","1.54184","CuKα","","0.0626","0.0567","","","0.1762","0.1827","","","","","","1.099","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241234","9.0842","0.0012","11.168","0.0014","11.3556","0.0013","108.185","0.011","106.055","0.011","109.685","0.012","932","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 N O4 S -","- C19 H23 N O4 S -","- C38 H46 N2 O8 S2 -","2","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","0.71073","MoKα","","0.1322","0.0743","","","0.2022","0.2594","","","","","","1.036","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241235","9.489","0.002","10.341","0.002","12.078","0.003","75.859","0.003","82.328","0.003","69.425","0.003","1074.5","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","qq","","- C20 H23 N O4 S -","- C20 H23 N O4 S -","- C40 H46 N2 O8 S2 -","2","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","","0.71073","MoKα","","0.0843","0.0513","","","0.1276","0.1449","","","","","","1.032","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241236","4.9632","0.0001","9.9037","0.0003","33.603","0.0009","90","","90","","90","","1651.72","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O2 S -","- C19 H17 N O2 S -","- C76 H68 N4 O8 S4 -","4","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","1.54184","CuKα","","0.058","0.0466","","","0.1096","0.119","","","","","","1.061","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241237","28.8618","0.0014","7.5904","0.0004","14.3121","0.0007","90","","104.306","0.0007","90","","3038.2","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 N5 O5 S2 -","- C11 H13 N5 O5 S2 -","- C88 H104 N40 O40 S16 -","8","1","","Manin, Alex N.; Drozd, Ksenia V.; Surov, Artem O.; Churakov, Andrei V.; Volkova, Tatyana V.; Perlovich, German L.","Identification of a previously unreported co-crystal form of acetazolamide: a combination of multiple experimental and virtual screening methods.","Physical chemistry chemical physics : PCCP","2020","22","36","20867","20879","10.1039/d0cp02700f","","","0.71073","MoKα","","0.0339","0.0288","","","0.0786","0.0824","","","","","","1.043","","","","has coordinates","258987","2020-11-06","13:19:54",""
"7241238","7.7293","0.0017","10.047","0.002","10.55","0.003","114.942","0.003","91.849","0.002","95.634","0.003","736.8","0.3","183","2","183.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Cd2 N18 O20 -","- C16 H22 Cd2 N18 O20 -","- C16 H22 Cd2 N18 O20 -","1","0.5","","Tong, Wenchao; Bian, Mei; Feng, Yongan; Zhang, Tonglai; Hu, Shuangqi; Yang, Li","A Highly Stable Octa-coordinated Energetic Complex","CrystEngComm","2020","","","","","10.1039/D0CE01008A","","","0.71073","MoKα","","0.0325","0.0285","","","0.0673","0.0692","","","","","","0.9992","","","","has coordinates","256415","2020-10-21","18:00:00",""
"7241239","9.5893","0.0002","14.2652","0.0005","15.8257","0.0005","104.318","0.003","104.565","0.003","103.319","0.003","1928.87","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N4 O3 -","- C21 H24 N4 O3 -","- C84 H96 N16 O12 -","4","2","","Said, Awad I.; Palkó, Márta; Haukka, Matti; Fülöp, Ferenc","Retro Diels Alder protocol for regioselective synthesis of novel [1,2,4]triazolo[4,3-a]pyrimidin-7(1H)-ones","RSC Advances","2020","10","56","33937","33943","10.1039/D0RA04345A","","","0.71073","MoKα","","0.0714","0.0492","","","0.1219","0.1363","","","","","","1.03","","","","has coordinates","258021","2020-10-21","18:00:00",""
"7241240","15.9134","0.0001","8.3868","0.0001","16.4808","0.0001","90","","113.86","0.001","90","","2011.59","0.03","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N5 O2 -","- C24 H21 N5 O2 -","- C96 H84 N20 O8 -","4","1","","Said, Awad I.; Palkó, Márta; Haukka, Matti; Fülöp, Ferenc","Retro Diels Alder protocol for regioselective synthesis of novel [1,2,4]triazolo[4,3-a]pyrimidin-7(1H)-ones","RSC Advances","2020","10","56","33937","33943","10.1039/D0RA04345A","","","1.54184","CuKα","","0.039","0.0373","","","0.0978","0.0996","","","","","","1.031","","","","has coordinates","258021","2020-10-21","18:00:00",""
"7241241","14.764","0.003","14.966","0.003","16.677","0.004","67.348","0.007","79.935","0.007","78.053","0.009","3308.5","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H77 N O8 S4 -","- C75 H77 N O8 S4 -","- C150 H154 N2 O16 S8 -","2","1","","Gabdulkhaev, Mukhammet Nafisovich; Ziganshin, Marat; Buzyurov, Aleksey V.; Schick, Christoph; Solovieva, Svetlana; Popova, Elena; Gubaidullin, Aidar Timergalievich; Gorbatchuk, Valery","Smart control of calixarene polymorphic states","CrystEngComm","2020","","","","","10.1039/D0CE01070G","","","0.71073","MoKα","","0.1783","0.0837","","","0.1458","0.1832","","","","","","0.932","","","","has coordinates","256444","2020-10-21","18:00:00",""
"7241242","10.5051","0.0014","13.538","0.002","22.658","0.003","77.015","0.007","88.249","0.008","88.725","0.009","3138.1","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H72 O8 S4 -","- C72 H72 O8 S4 -","- C144 H144 O16 S8 -","2","1","","Gabdulkhaev, Mukhammet Nafisovich; Ziganshin, Marat; Buzyurov, Aleksey V.; Schick, Christoph; Solovieva, Svetlana; Popova, Elena; Gubaidullin, Aidar Timergalievich; Gorbatchuk, Valery","Smart control of calixarene polymorphic states","CrystEngComm","2020","","","","","10.1039/D0CE01070G","","","0.71073","MoKα","","0.2843","0.0859","","","0.1079","0.1552","","","","","","0.891","","","","has coordinates","256444","2020-10-21","18:00:00",""
"7241243","14.8427","0.0007","14.9332","0.0007","17.2153","0.0008","68.192","0.001","81.105","0.001","74.912","0.001","3413.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H78 O9 S4 -","- C74 H78 O9 S4 -","- C148 H156 O18 S8 -","2","1","","Gabdulkhaev, Mukhammet Nafisovich; Ziganshin, Marat; Buzyurov, Aleksey V.; Schick, Christoph; Solovieva, Svetlana; Popova, Elena; Gubaidullin, Aidar Timergalievich; Gorbatchuk, Valery","Smart control of calixarene polymorphic states","CrystEngComm","2020","","","","","10.1039/D0CE01070G","","","0.71073","MoKα","","0.1597","0.0729","","","0.1867","0.2339","","","","","","1.034","","","","has coordinates,has disorder","256444","2020-10-21","18:00:00",""
"7241244","14.832","0.0013","14.9045","0.0014","17.2172","0.0014","68.262","0.004","81.191","0.004","74.94","0.004","3407.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H75 N O8 S4 -","- C74 H75 N O8 S4 -","- C148 H150 N2 O16 S8 -","2","1","","Gabdulkhaev, Mukhammet Nafisovich; Ziganshin, Marat; Buzyurov, Aleksey V.; Schick, Christoph; Solovieva, Svetlana; Popova, Elena; Gubaidullin, Aidar Timergalievich; Gorbatchuk, Valery","Smart control of calixarene polymorphic states","CrystEngComm","2020","","","","","10.1039/D0CE01070G","","","0.71073","MoKα","","0.1936","0.0784","","","0.2043","0.2788","","","","","","0.985","","","","has coordinates,has disorder","256444","2020-10-21","18:00:00",""
"7241245","7.2703","0.0013","9.7597","0.0017","11.424","0.002","104.565","0.015","103.831","0.015","99.589","0.014","739.3","0.2","120","2","120","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","<i>catena</i>-[aqua(<i>μ</i>~3~-thiophene-2-acetato-κ^4^O:O,O?:O?)\ (thiophene-2-acetato-κ^2^O,O?)lead(II)]","","- C12 H12 O5 Pb S2 -","- C12 H12 O5 Pb S2 -","- C24 H24 O10 Pb2 S4 -","2","1","","Kowalik, Mateusz; Masternak, Joanna; Kazimierczuk, Katarzyna; Kupcewicz, Bogumila; Khavryuchenko , Oleksiy; Barszcz, Barbara","Exploring thiophene-2-acetate and thiophene-3-acetate binding modes towards the molecular, supramolecular structures and photoluminescence properties of Pb(II) polymers","CrystEngComm","2020","","","","","10.1039/D0CE01224F","","x-ray","0.71073","MoKα","","0.0307","0.0281","","","0.0727","0.075","","","","","","1.081","","","","has coordinates","256445","2020-10-21","18:00:00",""
"7241246","16.8469","0.0018","10.3757","0.0007","7.8131","0.0009","90","","101.473","0.009","90","","1338.4","0.2","120","","120","2","","","","","","","synthesis as described","5","I 1 2/a 1","-I 2ya","15","","<i>catena</i>-[bis(<i>μ</i>~2~-thiophene-3-acetato-κ^3^O:O,O?)lead(II)]","","- C12 H10 O4 Pb S2 -","- C12 H10 O4 Pb S2 -","- C48 H40 O16 Pb4 S8 -","4","0.5","","Kowalik, Mateusz; Masternak, Joanna; Kazimierczuk, Katarzyna; Kupcewicz, Bogumila; Khavryuchenko , Oleksiy; Barszcz, Barbara","Exploring thiophene-2-acetate and thiophene-3-acetate binding modes towards the molecular, supramolecular structures and photoluminescence properties of Pb(II) polymers","CrystEngComm","2020","","","","","10.1039/D0CE01224F","","x-ray","0.71073","MoKα","","0.04","0.0397","","","0.1062","0.1065","","","","","","1.123","","","","has coordinates,has disorder","256445","2020-10-21","18:00:00",""
"7241247","18.5851","0.0015","10.793","0.0009","8.4692","0.0007","90","","109.727","0.0015","90","","1599.1","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 Mn N2 O6 -","- C4 H8 Mn N2 O6 -","- C32 H64 Mn8 N16 O48 -","8","1","","Lin, Chen-Lan; Chen, Yan-Fei; Qiu, Li-Jun; Zhu, Binglong; Wang, Xin; Luo, Shi-Peng; shi, wenyan; Yang, Ting-Hai; Lei, Wu","Synthesis, structure and photocatalytic properties of coordination polymers based on pyrazole carboxylic acid ligand","CrystEngComm","2020","","","","","10.1039/D0CE01054E","","","0.71073","MoKα","","0.0465","0.0369","","","0.0982","0.1342","","","","","","1.085","","","","has coordinates","256446","2020-10-21","18:00:00",""
"7241248","11.2775","0.0016","10.9894","0.0016","8.5532","0.0012","90","","92.916","0.002","90","","1058.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Cd N3 O5 -","- C7 H11 Cd N3 O5 -","- C28 H44 Cd4 N12 O20 -","4","1","","Lin, Chen-Lan; Chen, Yan-Fei; Qiu, Li-Jun; Zhu, Binglong; Wang, Xin; Luo, Shi-Peng; shi, wenyan; Yang, Ting-Hai; Lei, Wu","Synthesis, structure and photocatalytic properties of coordination polymers based on pyrazole carboxylic acid ligand","CrystEngComm","2020","","","","","10.1039/D0CE01054E","","","0.71073","MoKα","","0.0244","0.0204","","","0.0424","0.0433","","","","","","1.122","","","","has coordinates,has disorder","256446","2020-10-21","18:00:00",""
"7241249","5.4281","0.0008","12.4749","0.0018","9.1341","0.0014","90","","98.476","0.003","90","","611.76","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Cu N4 O8 -","- C8 H10 Cu N4 O8 -","- C16 H20 Cu2 N8 O16 -","2","0.5","","Lin, Chen-Lan; Chen, Yan-Fei; Qiu, Li-Jun; Zhu, Binglong; Wang, Xin; Luo, Shi-Peng; shi, wenyan; Yang, Ting-Hai; Lei, Wu","Synthesis, structure and photocatalytic properties of coordination polymers based on pyrazole carboxylic acid ligand","CrystEngComm","2020","","","","","10.1039/D0CE01054E","","","0.71073","MoKα","","0.0406","0.0315","","","0.0871","0.1098","","","","","","1.021","","","","has coordinates","256446","2020-10-21","18:00:00",""
"7241250","9.13","0.0018","10.29","0.002","17.5","0.004","90.56","0.03","91.12","0.03","108.32","0.03","1560.2","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C64 H56 Co2 N8 O12 -","- C64 H56 Co2 N8 O12 -","- C64 H56 Co2 N8 O12 -","1","1","","Tay, Hui Min; Hua, Carol","Co(II) coordination polymers constructed from a bent chiral linker: influencing framework topology using co-ligands","CrystEngComm","2020","","","","","10.1039/D0CE01172J","","","0.71073","Synchrotron","","0.1136","0.0664","","","0.1598","0.1841","","","","","","1.024","","","","has coordinates,has disorder","256485","2020-10-21","18:00:00",""
"7241251","10.98","0.0003","12.1273","0.0003","15.692","0.0004","73.885","0.002","80.363","0.002","84.052","0.002","1975.47","0.09","100","0.1","100","0.02","","","","","","","","6","P 1","P 1","1","","","","- C72 H56 Co2 N11.96 O12 S4.04 -","- C72 H56 Co2 N11.96 O12 S4.04 -","- C72 H56 Co2 N11.96 O12 S4.04 -","1","1","","Tay, Hui Min; Hua, Carol","Co(II) coordination polymers constructed from a bent chiral linker: influencing framework topology using co-ligands","CrystEngComm","2020","","","","","10.1039/D0CE01172J","","","1.54184","CuKα","","0.1024","0.088","","","0.2359","0.2544","","","","","","1.03","","","","has coordinates,has disorder","256485","2020-10-21","18:00:00",""
"7241252","9.2097","0.0002","11.1836","0.0001","17.0964","0.0001","85.672","0.001","82.69","0.001","83.417","0.001","1731.75","0.04","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C71 H67 Co2 N9 O13 -","- C71 H67 Co2 N9 O13 -","- C71 H67 Co2 N9 O13 -","1","1","","Tay, Hui Min; Hua, Carol","Co(II) coordination polymers constructed from a bent chiral linker: influencing framework topology using co-ligands","CrystEngComm","2020","","","","","10.1039/D0CE01172J","","","1.54178","CuKα","","0.0723","0.0685","","","0.1871","0.1913","","","","","","1.08","","","","has coordinates,has disorder","256485","2020-10-21","18:00:00",""
"7241253","15.27","0.0002","15.7368","0.0001","17.1187","0.0002","88.158","0.001","75.094","0.001","86.414","0.001","3966.88","0.08","100","0.1","100","0.02","","","","","","","","5","P 1","P 1","1","","","","- C19 H16 Co0.5 N2 O3 -","- C19 H16 Co0.5 N2 O3 -","- C152 H128 Co4 N16 O24 -","8","8","","Tay, Hui Min; Hua, Carol","Co(II) coordination polymers constructed from a bent chiral linker: influencing framework topology using co-ligands","CrystEngComm","2020","","","","","10.1039/D0CE01172J","","","1.54184","CuKα","","0.0713","0.0659","","","0.1796","0.185","","","","","","1.047","","","","has coordinates","256485","2020-10-21","18:00:00",""
"7241254","13.543","0.0002","16.3848","0.0003","16.6552","0.0003","90","","102.594","0.0019","90","","3606.85","0.11","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 I5 S12 -","- C22 H12 I5 S12 -","- C88 H48 I20 S48 -","4","1","","Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.","Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.","CrystEngComm","2020","","","","","10.1039/D0CE00954G","","","0.71073","MoKα","","0.0431","0.0354","","","0.067","0.0696","","","","","","1.13","","","","has coordinates,has disorder","256486","2020-10-21","18:00:00",""
"7241255","11.5148","0.0003","18.1689","0.0005","29.3477","0.0012","90","","91.157","0.003","90","","6138.6","0.3","150","0.1","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 I6 S10 -","- C16 H8 I6 S10 -","- C128 H64 I48 S80 -","8","1","","Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.","Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.","CrystEngComm","2020","","","","","10.1039/D0CE00954G","","","0.71073","MoKα","","0.1726","0.0979","","","0.1593","0.1835","","","","","","1.099","","","","has coordinates,has disorder","256486","2020-10-21","18:00:00",""
"7241256","10.2097","0.0006","10.9057","0.0006","17.3954","0.0012","90.663","0.005","102.294","0.006","93.878","0.005","1887.5","0.2","150.01","0.1","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H14 I6 S12 -","- C24 H14 I6 S12 -","- C48 H28 I12 S24 -","2","1","","Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.","Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.","CrystEngComm","2020","","","","","10.1039/D0CE00954G","","","0.71073","MoKα","","0.0828","0.062","","","0.0948","0.1011","","","","","","1.177","","","","has coordinates,has disorder","256486","2020-10-21","18:00:00",""
"7241257","13.6688","0.0003","16.1393","0.0004","17.049","0.0004","90","","105.18","0.002","90","","3629.86","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 I5 S12 -","- C22 H12 I5 S12 -","- C88 H48 I20 S48 -","4","1","","Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.","Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.","CrystEngComm","2020","","","","","10.1039/D0CE00954G","","","0.71073","MoKα","","0.0641","0.0492","","","0.111","0.1181","","","","","","1.108","","","","has coordinates,has disorder","256486","2020-10-21","18:00:00",""
"7241258","11.8075","0.0002","14.6651","0.0003","16.9675","0.0003","92.604","0.002","106.484","0.002","107.727","0.002","2655.43","0.1","150","2","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 I3 S10 -","- C16 H10 I3 S10 -","- C64 H40 I12 S40 -","4","2","","Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.","Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.","CrystEngComm","2020","","","","","10.1039/D0CE00954G","","","0.71073","MoKα","","0.0523","0.0399","","","0.0826","0.0887","","","","","","1.078","","","","has coordinates,has disorder","256486","2020-10-21","18:00:00",""
"7241259","9.0576","0.001","28.632","0.002","10.5799","0.001","90","","100.212","0.01","90","","2700.3","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H10 I4 S10 -","- C16 H10 I4 S10 -","- C64 H40 I16 S40 -","4","2","","Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.","Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.","CrystEngComm","2020","","","","","10.1039/D0CE00954G","","","0.71073","MoKα","","0.0858","0.0718","","","0.1521","0.1608","","","","","","1.107","","","","has coordinates,has disorder","256486","2020-10-21","18:00:00",""
"7241260","8.7799","0.0012","8.7799","0.0012","8.193","0.002","90","","90","","120","","546.96","0.17","273","2","273.15","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C2 I3 N Pb -","- C2 I3 N0.99 Pb -","- C4 I6 N1.98 Pb2 -","2","0.0833333","","Wang, Yiming; Liu, Yanliang; Wu, Yizhang; Jiang, Junjie; Liu, Chunlin; Liu, Wen-long; Gao, Kaige; Cai, Hongling; Wu, Xiaoshan","Properties and growth of large single crystal of one dimensional organic lead iodine perovskites","CrystEngComm","2020","","","","","10.1039/D0CE01104E","","","0.71073","MoKα","","0.0573","0.0413","","","0.0946","0.1002","","","","","","1.2","","","","has coordinates","256513","2020-10-21","18:00:00",""
"7241261","8.9303","0.0006","14.691","0.0009","7.979","0.0005","90","","95.994","0.004","90","","1041.08","0.12","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H0.25 I3 N Pb -","- C2 H8 I3 N Pb -","- C8 H32 I12 N4 Pb4 -","4","2","","Wang, Yiming; Liu, Yanliang; Wu, Yizhang; Jiang, Junjie; Liu, Chunlin; Liu, Wen-long; Gao, Kaige; Cai, Hongling; Wu, Xiaoshan","Properties and growth of large single crystal of one dimensional organic lead iodine perovskites","CrystEngComm","2020","","","","","10.1039/D0CE01104E","","","0.71073","MoKα","","0.0969","0.0717","","","0.1793","0.194","","","","","","1.037","","","","has coordinates","256514","2020-10-21","18:00:00",""
"7241262","9.8149","0.0004","9.9853","0.0004","15.1587","0.0006","84.234","0.003","78.977","0.004","80.518","0.003","1434.64","0.1","150","0.1","150","0.1","","","","","","","slow evaporation from a methanol solution","3","P -1","-P 1","2","","2-Cyano-3-(6?-(dimethylamino)-1?,2?-dihydroacenaphthylen-5?-yl)propenenitrile","","- C18 H15 N3 -","- C18 H15 N3 -","- C72 H60 N12 -","4","2","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.098","0.0575","","","0.1157","0.1393","","","","","","1.011","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241263","44.3599","0.0014","22.7723","0.0006","7.0406","0.0004","90","","90","","90","","7112.3","0.5","150.01","0.1","150.01","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","2-Cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)propene-nitrile chloride","","- C18 H20 Cl N4 O0.5 -","- C18 H20 Cl N4 O0.5 -","- C288 H320 Cl16 N64 O8 -","16","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0464","0.0411","","","0.0822","0.0843","","","","","","1.079","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241264","44.405","0.002","22.8205","0.0011","7.0822","0.0007","90","","90","","90","","7176.7","0.9","200","0.1","200","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","2-Cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)propene-nitrile chloride","","- C18 H20 Cl N4 O0.5 -","- C18 H20 Cl N4 O0.5 -","- C288 H320 Cl16 N64 O8 -","16","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0535","0.0463","","","0.091","0.0944","","","","","","1.092","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241265","8.6923","0.0003","12.6464","0.0005","12.8192","0.0005","81.716","0.003","77.638","0.003","78.624","0.003","1341.8","0.09","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","2-Cyano-3-((8?-(dimethylamino)-4?,5?-diphenylnaphthalen-1?-yl)propenenitrile","","- C35 H29 N3 -","- C35 H29 N3 -","- C70 H58 N6 -","2","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.092","0.0727","","","0.1296","0.1377","","","","","","1.153","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241266","44.6586","0.0017","22.6565","0.0007","6.8837","0.0004","90","","90","","90","","6965","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","2-Cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)propene-nitrile chloride","","- C18 H20 Cl N4 O0.5 -","- C18 H20 Cl N4 O0.5 -","- C288 H320 Cl16 N64 O8 -","16","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0389","0.0357","","","0.0751","0.0764","","","","","","1.097","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241267","48.482","0.0018","22.8029","0.0009","6.746","0.0003","90","","90","","90","","7457.9","0.5","260","2","260","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","Methyl E-2-cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)-2-propenoate chloride","","- C19 H23 Cl N3 O2.5 -","- C19 H23 Cl N3 O2.5 -","- C304 H368 Cl16 N48 O40 -","16","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0965","0.06","","","0.0921","0.107","","","","","","1.054","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241268","48.2476","0.0011","22.8006","0.0006","6.6691","0.0002","90","","90","","90","","7336.5","0.3","150","2","150","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","Methyl E-2-cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)-2-prop-enoate chloride","","- C19 H23 Cl N3 O2.5 -","- C19 H23 Cl N3 O2.5 -","- C304 H368 Cl16 N48 O40 -","16","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0412","0.0351","","","0.0753","0.078","","","","","","1.048","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241269","20.777","0.0007","9.3348","0.0002","18.1408","0.0006","90","","114.584","0.004","90","","3199.46","0.19","150.01","0.1","150.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Cyano-3-(4?-,8?-bis(dimethylamino)naphthalen-1?-yl)propenenitrile","","- C18 H18 N4 -","- C18 H18 N4 -","- C144 H144 N32 -","8","2","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0843","0.0637","","","0.1268","0.1364","","","","","","1.081","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241270","8.6964","0.0008","9.2214","0.0007","10.4886","0.0008","102.971","0.007","101.832","0.007","113.041","0.008","712.9","0.13","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C34 H32 N4 O4 -","2","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0656","0.0472","","","0.1024","0.1135","","","","","","1.044","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241271","9.319","0.0005","11.543","0.0007","19.5648","0.0012","90","","90.064","0.003","90","","2104.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1:1 Cocrystal of Olanzapine and Resorcinol","","- C23 H26 N4 O2 S -","- C23 H26 N4 O2 S -","- C92 H104 N16 O8 S4 -","4","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.0474","0.0375","","","0.1201","0.129","","","","","","1.008","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241272","25.972","0.005","9.1477","0.0016","19.595","0.004","90","","107.679","0.008","90","","4435.6","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1:1 Cocrystal of Olanzapine and Catechol","","- C23 H26 N4 O2 S -","- C23 H26 N4 O2 S -","- C184 H208 N32 O16 S8 -","8","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.1764","0.0873","","","0.215","0.2331","","","","","","1.153","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241273","9.0547","0.0018","10.719","0.002","14.236","0.003","80.86","0.005","82.955","0.006","84.355","0.006","1349.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1:1:1 Cocrystal of Olanzapine, Hydroquinone and Benzene","","- C29 H32 N4 O2 S -","- C29 H32 N4 O2 S -","- C58 H64 N8 O4 S2 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.1595","0.0786","","","0.1527","0.1871","","","","","","1.059","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241274","9.3159","0.0003","10.3802","0.0004","15.0112","0.0005","96.2211","0.0014","90.7786","0.0013","98.187","0.0013","1427.72","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1:1:1 Cocrystal of Olanzapine, Hydroquinone and pXylene","","- C31 H36 N4 O2 S -","- C31 H36 N4 O2 S -","- C62 H72 N8 O4 S2 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.0504","0.0404","","","0.0931","0.0982","","","","","","1.037","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241275","9.1116","0.0005","10.7195","0.0007","15.8385","0.0009","88.452","0.002","87.7422","0.0017","82.8273","0.0019","1533.3","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1:1:2 Cocrystal of Olanzapine, Hydroquinone and Benzene","","- C35 H38 N4 O2 S -","- C35 H38 N4 O2 S -","- C70 H76 N8 O4 S2 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.0409","0.0362","","","0.0928","0.0963","","","","","","1.051","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241276","28.1714","0.0017","12.6444","0.0007","14.0673","0.0008","90","","104.397","0.0019","90","","4853.5","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1:1:1:2 Cocrystal of Olanzapine, Hydroquinone, pXylene and Water","","- C24 H32 N4 O3 S -","- C24 H32 N4 O3 S -","- C192 H256 N32 O24 S8 -","8","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.0361","0.0329","","","0.0837","0.0864","","","","","","1.028","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241277","9.2694","0.0012","10.3353","0.0013","14.9174","0.0019","89.159","0.004","86.632","0.004","82.387","0.004","1414","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1:1:1 Cocrystal of Olanzapine, Hydroquinone and Ethylbenzene","","- C31 H36 N4 O2 S -","- C31 H36 N4 O2 S -","- C62 H72 N8 O4 S2 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.0957","0.0559","","","0.1115","0.127","","","","","","1.031","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241278","13.24395","0.00006","15.4088","0.00009","18.44394","0.00011","90","","90.3886","0.0005","90","","3763.83","0.04","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C94 H80 N6 O6 -","- C94 H80 N6 O6 -","- C188 H160 N12 O12 -","2","1","","Sakagami, Ryoko; Saito, Yuuki; Mori, Ryuichi; Satake, Misa; Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Cylindrical macrocyclic compounds synthesized by connecting two bowl-shaped calix[3]aramide moieties: structures and chiroptical properties","RSC Advances","2020","10","57","34549","34555","10.1039/D0RA07060B","","","1.54187","CuKα","","0.0384","0.0367","","","0.0996","0.1012","","","","","","1.05","","","","has coordinates","259628","2020-12-06","14:55:12",""
"7241279","13.94016","0.00011","20.05398","0.00018","23.6535","0.0002","90","","90","","90","","6612.47","0.1","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C66 H51 N6 O6 -","- C66 H51 N6 O6 -","- C264 H204 N24 O24 -","4","1","","Sakagami, Ryoko; Saito, Yuuki; Mori, Ryuichi; Satake, Misa; Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Cylindrical macrocyclic compounds synthesized by connecting two bowl-shaped calix[3]aramide moieties: structures and chiroptical properties","RSC Advances","2020","10","57","34549","34555","10.1039/D0RA07060B","","","1.54187","CuKα","","0.0488","0.0443","","","0.1174","0.1209","","","","","","1.042","","","","has coordinates,has disorder","259628","2020-12-06","14:55:12",""
"7241280","15.6247","0.0001","16.1764","0.0001","27.9001","0.0002","90","","97.4931","0.0007","90","","6991.57","0.08","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C87 H72 N6 O6 -","- C87 H72 N6 O6 -","- C348 H288 N24 O24 -","4","1","","Sakagami, Ryoko; Saito, Yuuki; Mori, Ryuichi; Satake, Misa; Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Cylindrical macrocyclic compounds synthesized by connecting two bowl-shaped calix[3]aramide moieties: structures and chiroptical properties","RSC Advances","2020","10","57","34549","34555","10.1039/D0RA07060B","","","1.54187","CuKα","","0.0521","0.0443","","","0.1195","0.125","","","","","","1.027","","","","has coordinates,has disorder","259628","2020-12-06","14:55:12",""
"7241281","15.6867","0.0016","14.8573","0.0015","18.9889","0.0019","90","","93.799","0.004","90","","4415.9","0.8","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H28 Mn2 N4 O12 -","- C41 H28 Mn2 N4 O12 -","- C164 H112 Mn8 N16 O48 -","4","1","","Zhang, Yujuan; Gao, Lingling; Zhou, Wendi; Wei, Xiao-Qin; Hu, Tuoping","Synthesis and magnetic properties of Two Mn-based coordination polymers constructed by mixed-ligand strategy","CrystEngComm","2020","","","","","10.1039/D0CE01178A","","","0.71076","MoKα","","0.0577","0.0403","","","0.0994","0.1067","","","","","","1.035","","","","has coordinates","256610","2020-10-21","18:00:00",""
"7241282","13.2419","0.0007","15.4637","0.0007","18.8598","0.0009","90","","107.908","0.002","90","","3674.8","0.3","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 Mn2 N2 O14 -","- C29 H28 Mn2 N2 O14 -","- C116 H112 Mn8 N8 O56 -","4","1","","Zhang, Yujuan; Gao, Lingling; Zhou, Wendi; Wei, Xiao-Qin; Hu, Tuoping","Synthesis and magnetic properties of Two Mn-based coordination polymers constructed by mixed-ligand strategy","CrystEngComm","2020","","","","","10.1039/D0CE01178A","","","0.71076","MoKα","","0.1422","0.0685","","","0.1391","0.1636","","","","","","1.005","","","","has coordinates","256610","2020-10-21","18:00:00",""
"7241283","9.6149","0.0001","13.0783","0.0001","23.3712","0.0003","90","","90","","90","","2938.85","0.05","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.5 H6 N12 O13 -","- C6.5 H6 N12 O13 -","- C52 H48 N96 O104 -","8","1","","Zharkov, Mikhail; Kuchurov, Ilya; Zlotin, Sergei Grigorievich","Micronization of CL-20 using supercritical and liquefied gases","CrystEngComm","2020","","","","","10.1039/D0CE01167C","","","0.71073","MoKα","","0.0314","0.0282","","","0.0733","0.0762","","","","","","1.102","","","","has coordinates","256611","2020-10-21","18:00:00",""
"7241284","6.02107","0.00003","12.63736","0.00006","23.03193","0.0001","90","","90","","90","","1752.51","0.014","170","0.12","170","0.12","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 N O3 -","- C19 H29 N O3 -","- C76 H116 N4 O12 -","4","1","","Zhao, Ru; Zeng, Bing-Lin; Jia, Wen-Qiang; Zhao, Hong-Yi; Shen, Long-Ying; Wang, Xiao-Jian; Pan, Xian-Dao","LiCl-promoted amination of β-methoxy amides (γ-lactones)","RSC Advances","2020","10","57","34938","34942","10.1039/D0RA07170F","","x-ray","1.54184","CuKα","","0.03","0.0299","","","0.0773","0.0774","","","","","","1.092","","","","has coordinates","258063","2020-10-21","18:00:00",""
"7241285","9.655","0.0008","7.8337","0.0004","21.8957","0.0016","90","","100.355","0.007","90","","1629.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","flufenamic acid 2,2'-bipyridine (2:1) co-crystal","","","- C19 H14 F3 N2 O2 -","- C19 H14 F3 N2 O2 -","- C76 H56 F12 N8 O8 -","4","1","","Hatcher, Lauren E.; Burgess, Ayrton J.; Payne, Pollyanna; Wilson, Chick C.","From structure to crystallisation and pharmaceutical manufacturing: the CSD in CMAC Workflows","CrystEngComm","2020","","","","","10.1039/D0CE00898B","","","0.71073","MoKα","","0.1393","0.0585","","","0.0854","0.1106","","","","","","1.009","","","","has coordinates,has disorder","256638","2020-10-21","18:00:00",""
"7241286","22.951","0.005","10.686","0.002","16.444","0.003","90","","118.415","0.004","90","","3547.1","1.2","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 N6 Ni O10 -","- C38 H34 N6 Ni O10 -","- C152 H136 N24 Ni4 O40 -","4","0.5","","Zhu, Bin; Huang, Guimei; He, Yanni; Xie, Jisheng; He, Tao; Wang, Junli; Zong, Ziao","Synthesis and characterization of MOFs constructed from 5-(benzimidazole-1-yl)isophthalic acid and highly selective fluorescence detection of Fe(iii) and Cr(vi) in water","RSC Advances","2020","10","57","34943","34952","10.1039/D0RA06529C","","","0.71073","MoKα","","0.0714","0.0513","","","0.1154","0.1256","","","","","","1.075","","","","has coordinates","258062","2020-10-21","18:00:00",""
"7241287","10.947","0.0003","12.8845","0.0004","13.5188","0.0004","90","","109.207","0.001","90","","1800.64","0.09","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 Co N2 O4 -","- C15 H8 Co N2 O4 -","- C60 H32 Co4 N8 O16 -","4","1","","Zhu, Bin; Huang, Guimei; He, Yanni; Xie, Jisheng; He, Tao; Wang, Junli; Zong, Ziao","Synthesis and characterization of MOFs constructed from 5-(benzimidazole-1-yl)isophthalic acid and highly selective fluorescence detection of Fe(iii) and Cr(vi) in water","RSC Advances","2020","10","57","34943","34952","10.1039/D0RA06529C","","","0.71073","MoKα","","0.0747","0.0651","","","0.1603","0.1645","","","","","","1.039","","","","has coordinates","258062","2020-10-21","18:00:00",""
"7241288","11.1911","0.0004","13.766","0.0004","13.1938","0.0004","90","","108.267","0.001","90","","1930.16","0.11","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 Cd N2 O4 -","- C15 H8 Cd N2 O4 -","- C60 H32 Cd4 N8 O16 -","4","1","","Zhu, Bin; Huang, Guimei; He, Yanni; Xie, Jisheng; He, Tao; Wang, Junli; Zong, Ziao","Synthesis and characterization of MOFs constructed from 5-(benzimidazole-1-yl)isophthalic acid and highly selective fluorescence detection of Fe(iii) and Cr(vi) in water","RSC Advances","2020","10","57","34943","34952","10.1039/D0RA06529C","","","0.71073","MoKα","","0.053","0.0333","","","0.071","0.078","","","","","","1.052","","","","has coordinates","258062","2020-10-21","18:00:00",""
"7241289","21.655","0.0006","10.8019","0.0003","15.3693","0.0004","90","","108.469","0.001","90","","3409.95","0.16","170","","170.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N4 O10 Zn2 -","- C34 H28 N4 O10 Zn2 -","- C136 H112 N16 O40 Zn8 -","4","1","","Zhu, Bin; Huang, Guimei; He, Yanni; Xie, Jisheng; He, Tao; Wang, Junli; Zong, Ziao","Synthesis and characterization of MOFs constructed from 5-(benzimidazole-1-yl)isophthalic acid and highly selective fluorescence detection of Fe(iii) and Cr(vi) in water","RSC Advances","2020","10","57","34943","34952","10.1039/D0RA06529C","","","0.71073","MoKα","","0.1023","0.0458","","","0.0954","0.1169","","","","","","1.106","","","","has coordinates,has disorder","258062","2020-10-21","18:00:00",""
"7241290","10.233","0.003","6.631","0.002","10.447","0.003","90","","95.3","0.005","90","","705.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As2 Cd2 Cs2 S6 -","- As2 Cd2 Cs2 S6 -","- As4 Cd4 Cs4 S12 -","2","0.5","","Tian, Xin-Yu; Du, Cui-Xia; ZhaoRi, GeTu; SheLe, MuGe; Bao, Yongsheng; Baiyin, Menghe","The solvothermal synthesis and characterization of quaternary arsenic chalcogenides CsTMAsQ3 (TM = Hg, Cd; Q = S, Se) using Cs+ as a structure directing agent: from 1D anionic chains to 2D anionic layers","RSC Advances","2020","10","57","34903","34909","10.1039/D0RA05058J","","","0.71073","MoKα","","0.0386","0.0311","","","0.0886","0.0916","","","","","","1.09","","","","has coordinates","258061","2020-10-21","18:00:00",""
"7241291","6.957","0.005","14.917","0.011","7.415","0.006","90","","96.926","0.013","90","","763.9","1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As Cs Hg Se3 -","- As Cs Hg Se3 -","- As4 Cs4 Hg4 Se12 -","4","1","","Tian, Xin-Yu; Du, Cui-Xia; ZhaoRi, GeTu; SheLe, MuGe; Bao, Yongsheng; Baiyin, Menghe","The solvothermal synthesis and characterization of quaternary arsenic chalcogenides CsTMAsQ3 (TM = Hg, Cd; Q = S, Se) using Cs+ as a structure directing agent: from 1D anionic chains to 2D anionic layers","RSC Advances","2020","10","57","34903","34909","10.1039/D0RA05058J","","","0.71073","MoKα","","0.0463","0.0357","","","0.0846","0.0879","","","","","","1.025","","","","has coordinates","258061","2020-10-21","18:00:00",""
"7241292","10.09","0.002","6.651","0.0016","10.428","0.003","90","","94.686","0.004","90","","697.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As2 Cs2 Hg2 S6 -","- As2 Cs2 Hg2 S6 -","- As4 Cs4 Hg4 S12 -","2","0.5","","Tian, Xin-Yu; Du, Cui-Xia; ZhaoRi, GeTu; SheLe, MuGe; Bao, Yongsheng; Baiyin, Menghe","The solvothermal synthesis and characterization of quaternary arsenic chalcogenides CsTMAsQ3 (TM = Hg, Cd; Q = S, Se) using Cs+ as a structure directing agent: from 1D anionic chains to 2D anionic layers","RSC Advances","2020","10","57","34903","34909","10.1039/D0RA05058J","","","0.71073","MoKα","","0.0719","0.0666","","","0.171","0.1725","","","","","","1.18","","","","has coordinates","258061","2020-10-21","18:00:00",""
"7241293","10.428","0.006","6.869","0.005","10.794","0.007","90","","93.676","0.01","90","","771.6","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As Cd Cs Se3 -","- As Cd Cs Se3 -","- As4 Cd4 Cs4 Se12 -","4","1","","Tian, Xin-Yu; Du, Cui-Xia; ZhaoRi, GeTu; SheLe, MuGe; Bao, Yongsheng; Baiyin, Menghe","The solvothermal synthesis and characterization of quaternary arsenic chalcogenides CsTMAsQ3 (TM = Hg, Cd; Q = S, Se) using Cs+ as a structure directing agent: from 1D anionic chains to 2D anionic layers","RSC Advances","2020","10","57","34903","34909","10.1039/D0RA05058J","","","0.71073","MoKα","","0.0854","0.0758","","","0.1663","0.1695","","","","","","1.085","","","","has coordinates","258061","2020-10-21","18:00:00",""
"7241294","17.9377","0.0011","21.9449","0.0014","25.6202","0.0016","90","","106.696","0.002","90","","9660","1.1","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H72 Cd N24 O20 -","- C96 H72 Cd N24 O20 -","- C384 H288 Cd4 N96 O80 -","4","0.5","","Liu, Mei; Shi, Lulu; Fang, Cao; Zhu, Xiaofei; Li, Hui","A cucurbit[6]uril-based supramolecular assembly test strip for immediate detection of nitrofuran antibiotics in water","CrystEngComm","2020","","","","","10.1039/D0CE01294G","","","0.71073","MoKα","","0.0388","0.0354","","","0.0855","0.0915","","","","","","1.112","","","","has coordinates","256694","2020-10-21","18:00:00",""
"7241295","9.1121","0.0018","9.4374","0.0019","10.647","0.002","95.85","0.03","104.17","0.03","111.98","0.03","803.9","0.4","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O6 -","- C18 H16 O6 -","- C36 H32 O12 -","2","1","","Hu, Deqing; Yang, Lu; Wan, Jie-Ping","Biaryl and atropisomeric biaryl aldehyde synthesis by one-step, metal-free benzannulation of aryl enals and propiolates","Green Chemistry","2020","22","20","6773","6777","10.1039/D0GC02806A","","","0.71073","MoKα","","0.0573","0.0412","","","0.1138","0.1337","","","","","","1.132","","","","has coordinates","258877","2020-11-06","12:33:04",""
"7241296","7.5809","0.0002","19.0996","0.0002","11.1263","0.0003","90","","104.022","0.002","90","","1563","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H11 F3 N3 O -","- C20 H11 F3 N3 O -","- C80 H44 F12 N12 O4 -","4","1","","Hande, Aniket A.; Darrigan, Clovis; Bartos, Paulina; Baylère, Patrick; Pietrzak, Anna; Kaszyński, Piotr; Chrostowska, Anna","UV-photoelectron spectroscopy of stable radicals: the electronic structure of planar Blatter radicals as materials for organic electronics.","Physical chemistry chemical physics : PCCP","2020","22","41","23637","23644","10.1039/d0cp03896b","","","1.54184","CuKα","","0.0367","0.0352","","","0.102","0.1036","","","","","","1.066","","","","has coordinates","258984","2020-11-06","13:18:42",""
"7241297","10.2758","0.0006","14.8286","0.0008","18.2612","0.001","90","","99.346","0.003","90","","2745.6","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H63 N8 O15 P S -","- C50 H63 N8 O15 P S -","- C100 H126 N16 O30 P2 S2 -","2","1","","Radzikowska, Ewa; Kaczmarek, Renata; Korczyński, Dariusz; Krakowiak, Agnieszka; Mikołajczyk, Barbara; Baraniak, Janina; Guga, Piotr; Wheeler, Kraig A.; Pawlak, Tomasz; Nawrot, Barbara","P-stereocontrolled synthesis of oligo(nucleoside N3′\ρightarrow O5′ phosphoramidothioate)s ‒ opportunities and limitations","RSC Advances","2020","10","58","35185","35197","10.1039/D0RA04987E","","x-ray","1.54178","CuKα","","0.1227","0.1196","","","0.3665","0.3702","","","","","","1.802","","","","has coordinates,has disorder","256707","2020-10-21","18:00:00",""
"7241298","12.53","0.006","12.767","0.006","15.21","0.007","90","","90","","90","","2433","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 Au Cl N2 -","- C25 H32 Au Cl N2 -","- C100 H128 Au4 Cl4 N8 -","4","1","","Zhan, Licheng; Zhang, Gengtao; Wang, Jiwei; Zhang, Jun","Syntheses of tetrahydroquinoline-based chiral carbene precursors and the related chiral NHC‒Au(i) complex","RSC Advances","2020","10","58","35253","35256","10.1039/D0RA07271K","","","0.71073","MoKα","","0.0386","0.033","","","0.0715","0.073","","","","","","0.974","","","","has coordinates","256708","2020-10-21","18:00:00",""
"7241299","21.9383","0.0002","21.9383","0.0002","46.0355","0.0005","90","","90","","120","","19188","0.3","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C60 H66 Ag F6 O12 P S9 -","- C60 H66 Ag F5.99995 O12 P S9 -","- C720 H792 Ag12 F71.9994 O144 P12 S108 -","12","0.333333","","Ju, Huiyeong; Lee, Jai Young; Lee, Shim Sung","Influence of anion and mole-ratio on the formation of 2-D coordination networks of thiacalix[4]-bis-monothiacrown-5","CrystEngComm","2020","","","","","10.1039/D0CE01198C","","","0.71073","MoKα","","0.0374","0.0306","","","0.0739","0.0805","","","","","","1.053","","","","has coordinates","256752","2020-10-21","18:00:00",""
"7241300","29.7592","0.0003","26.2631","0.0003","20.0331","0.0002","90","","90","","90","","15657.2","0.3","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C65 H71 Ag Cl9 F3 O15 S9 -","- C65 H69 Ag Cl9 F3 O15 S9 -","- C520 H552 Ag8 Cl72 F24 O120 S72 -","8","1","","Ju, Huiyeong; Lee, Jai Young; Lee, Shim Sung","Influence of anion and mole-ratio on the formation of 2-D coordination networks of thiacalix[4]-bis-monothiacrown-5","CrystEngComm","2020","","","","","10.1039/D0CE01198C","","","0.71073","MoKα","","0.0911","0.0678","","","0.1878","0.2117","","","","","","1.05","","","","has coordinates,has disorder","256752","2020-10-21","18:00:00",""
"7241301","29.0458","0.0015","26.4503","0.0014","19.6654","0.0011","90","","98.978","0.003","90","","14923.2","1.4","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C265 H273 Ag8 Cl3 F24 O65 P0 S36 -","- C265 H273 Ag8 Cl3 F24 O65 S36 -","- C530 H546 Ag16 Cl6 F48 O130 S72 -","2","0.5","","Ju, Huiyeong; Lee, Jai Young; Lee, Shim Sung","Influence of anion and mole-ratio on the formation of 2-D coordination networks of thiacalix[4]-bis-monothiacrown-5","CrystEngComm","2020","","","","","10.1039/D0CE01198C","","","0.71073","MoKα","","0.1494","0.0743","","","0.1657","0.2129","","","","","","1.007","","","","has coordinates","256752","2020-10-21","18:00:00",""
"7241302","10.2987","0.0006","16.1185","0.0009","17.2403","0.001","90","","97.391","0.002","90","","2838.1","0.3","150.15","","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H50 Co4 N4 O26 -","- C62 H50 Co4 N4 O26 -","- C124 H100 Co8 N8 O52 -","2","0.5","","Gao, Lingling; Bian, Yongjun; Tian, Yuan; chen, yongqiang; Hu, Tuoping","Structural Diversity, Gas Adsorption and Magnetic Property of Three Coordination Polymers based on Rigid Multicarboxylate Ligand","CrystEngComm","2020","","","","","10.1039/D0CE01201G","","","0.71073","MoKα","","0.1136","0.0709","","","0.1178","0.1351","","","","","","1.174","","","","has coordinates","256753","2020-10-21","18:00:00",""
"7241303","10.372","0.0003","16.8173","0.0004","16.8664","0.0004","90","","98.482","0.001","90","","2909.81","0.13","150","","150","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C65 H48 Co2 N9 O14 -","- C65 H48 Co2 N9 O14 -","- C130 H96 Co4 N18 O28 -","2","0.5","","Gao, Lingling; Bian, Yongjun; Tian, Yuan; chen, yongqiang; Hu, Tuoping","Structural Diversity, Gas Adsorption and Magnetic Property of Three Coordination Polymers based on Rigid Multicarboxylate Ligand","CrystEngComm","2020","","","","","10.1039/D0CE01201G","","","0.71073","MoKα","","0.0823","0.0731","","","0.158","0.1613","","","","","","1.31","","","","has coordinates,has disorder","256753","2020-10-21","18:00:00",""
"7241304","33.557","0.0011","15.838","0.0005","20.0331","0.0006","90","","90","","90","","10647.1","0.6","298.15","","298.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C106 H73 Co6 N12 O22 -","- C106 H73 Co6 N12 O22 -","- C424 H292 Co24 N48 O88 -","4","1","","Gao, Lingling; Bian, Yongjun; Tian, Yuan; chen, yongqiang; Hu, Tuoping","Structural Diversity, Gas Adsorption and Magnetic Property of Three Coordination Polymers based on Rigid Multicarboxylate Ligand","CrystEngComm","2020","","","","","10.1039/D0CE01201G","","","0.71073","MoKα","","0.1131","0.0544","","","0.1178","0.14","","","","","","1.005","","","","has coordinates,has disorder","256753","2020-10-21","18:00:00",""
"7241305","12.0453","0.0014","20.437","0.002","13.1306","0.0016","90","","96.88","0.002","90","","3209.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Bi4 I16 N4 O8 S2 -","- C24 H36 Bi4 I16 N4 O8 S2 -","- C48 H72 Bi8 I32 N8 O16 S4 -","2","0.5","","Ben Ali, Saida; Feki, Amal; Ferretti, Valeria; Nasri, Moncef; Belhouchet, Mohamed","Crystal structure, spectroscopic measurement, optical properties, thermal studies and biological activities of a new hybrid material containing iodide anions of bismuth(iii)","RSC Advances","2020","10","58","35174","35184","10.1039/D0RA05646D","","","0.71073","MoKα","","0.0559","0.0507","","","0.1241","0.1278","","","","","","1.1","","","","has coordinates","256760","2020-10-21","18:00:00",""
"7241306","28.311","0.0019","32.998","0.003","13.625","0.0011","90","","110.683","0.002","90","","11908.2","1.7","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C66 H113 Co3 Dy3 N30 O49 -","- C54 H30.9992 Co2.9996 Dy3 N24 O30.9996 -","- C216 H123.997 Co11.9984 Dy12 N96 O123.998 -","4","0.5","","Wei, Han; Wang, Cui-Li; gao, wei; Liu, Jie-Ping; Zhang, Xiumei","Novel 3D anionic heterometallic frameworks based on trinuclear CoII and trinuclear LnIII motifs: displaying slow magnetic relaxation and selective adsorption of methylene blue","CrystEngComm","2020","","","","","10.1039/D0CE01254H","","","0.71073","MoKα","","0.0757","0.0441","","","0.1089","0.1203","","","","","","1.019","","","","has coordinates,has disorder","256783","2020-10-21","18:00:00",""
"7241307","28.15","0.003","33.16","0.004","13.68","0.0014","90","","109.96","0.004","90","","12003","2","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C66 H113 Co3 Eu3 N30 O49 -","- C54 H31 Co3 Eu3 N24 O31 -","- C216 H124 Co12 Eu12 N96 O124 -","4","0.5","","Wei, Han; Wang, Cui-Li; gao, wei; Liu, Jie-Ping; Zhang, Xiumei","Novel 3D anionic heterometallic frameworks based on trinuclear CoII and trinuclear LnIII motifs: displaying slow magnetic relaxation and selective adsorption of methylene blue","CrystEngComm","2020","","","","","10.1039/D0CE01254H","","","0.71073","MoKα","","0.0721","0.051","","","0.1386","0.1535","","","","","","0.978","","","","has coordinates,has disorder","256783","2020-10-21","18:00:00",""
"7241308","28.145","0.005","33.446","0.006","13.581","0.002","90","","110.479","0.002","90","","11976","4","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C66 H113 Co3 Gd3 N30 O49 -","- C54 H31.0004 Co3.0002 Gd3 N24 O31.0002 -","- C216 H124.002 Co12.0008 Gd12 N96 O124.001 -","4","0.5","","Wei, Han; Wang, Cui-Li; gao, wei; Liu, Jie-Ping; Zhang, Xiumei","Novel 3D anionic heterometallic frameworks based on trinuclear CoII and trinuclear LnIII motifs: displaying slow magnetic relaxation and selective adsorption of methylene blue","CrystEngComm","2020","","","","","10.1039/D0CE01254H","","","0.71073","MoKα","","0.0824","0.0524","","","0.1549","0.1763","","","","","","1.006","","","","has coordinates,has disorder","256783","2020-10-21","18:00:00",""
"7241309","28.33","0.012","33.266","0.015","13.65","0.006","90","","111.329","0.006","90","","11983","9","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C66 H113 Co3 Ho3 N30 O49 -","- C54 H30.9992 Co2.9996 Ho3 N24 O30.9996 -","- C216 H123.997 Co11.9984 Ho12 N96 O123.998 -","4","0.5","","Wei, Han; Wang, Cui-Li; gao, wei; Liu, Jie-Ping; Zhang, Xiumei","Novel 3D anionic heterometallic frameworks based on trinuclear CoII and trinuclear LnIII motifs: displaying slow magnetic relaxation and selective adsorption of methylene blue","CrystEngComm","2020","","","","","10.1039/D0CE01254H","","","0.71073","MoKα","","0.078","0.0469","","","0.1215","0.1331","","","","","","1.043","","","","has coordinates,has disorder","256783","2020-10-21","18:00:00",""
"7241310","27.9621","0.0019","32.846","0.003","13.478","0.0011","90","","110.883","0.002","90","","11565.6","1.6","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C66 H113 Co3 N30 O49 Tb3 -","- C54 H29.0004 Co2.9999 N24 O29.9999 Tb3 -","- C216 H116.002 Co11.9996 N96 O120 Tb12 -","4","0.5","","Wei, Han; Wang, Cui-Li; gao, wei; Liu, Jie-Ping; Zhang, Xiumei","Novel 3D anionic heterometallic frameworks based on trinuclear CoII and trinuclear LnIII motifs: displaying slow magnetic relaxation and selective adsorption of methylene blue","CrystEngComm","2020","","","","","10.1039/D0CE01254H","","","0.71073","MoKα","","0.0727","0.0499","","","0.1278","0.1333","","","","","","1.123","","","","has coordinates,has disorder","256783","2020-10-21","18:00:00",""
"7241311","20.7375","0.0011","13.4812","0.0007","25.4131","0.0013","90","","90","","90","","7104.6","0.6","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H29 N4 O7 Re2 -","- C37 H22 N4 O7 Re2 -","- C296 H176 N32 O56 Re16 -","8","1","","Kia, Reza; Taghavi, Tahereh; Raithby, Paul R.","Supramolecular Assembly Through Intermolecular n →π* Interactions through a Coordinated Perrhenate Formed via Superoxidation of Re(I) to Re(VII) in the Formation of Substituted Re(CO)3 Complexes Bearing Diimine Ligands","CrystEngComm","2020","","","","","10.1039/D0CE01073A","","","0.71073","MoKα","","0.0308","0.021","","","0.0439","0.0472","","","","","","1.033","","","","has coordinates,has disorder","256784","2020-10-21","18:00:00",""
"7241312","14.1536","0.0002","14.5187","0.0003","15.7597","0.0003","90","","90","","90","","3238.49","0.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H6 N2 O8 Re2 -","- C14 H6 N2 O8 Re2 -","- C112 H48 N16 O64 Re16 -","8","1","","Kia, Reza; Taghavi, Tahereh; Raithby, Paul R.","Supramolecular Assembly Through Intermolecular n →π* Interactions through a Coordinated Perrhenate Formed via Superoxidation of Re(I) to Re(VII) in the Formation of Substituted Re(CO)3 Complexes Bearing Diimine Ligands","CrystEngComm","2020","","","","","10.1039/D0CE01073A","","","1.54184","CuKα","","0.0353","0.0332","","","0.0844","0.086","","","","","","1.135","","","","has coordinates","256784","2020-10-21","18:00:00",""
"7241313","7.4811","0.0003","7.2879","0.0003","19.9293","0.0012","90","","98.283","0.005","90","","1075.24","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br N5 -","- C11 H8 Br N5 -","- C44 H32 Br4 N20 -","4","1","","Ramirez de Arellano, Carmen; Adam, Rosa; Ballesteros-Garrido, Rafael; Abarca, Belén; Ballesteros, Rafael; Alkorta, Ibon; Elguero, Jose; Escrivá, Emilio","A C(π-hole)···Cl-Zn tetrel interaction driving a metal-organic supramolecular assembly","CrystEngComm","2020","","","","","10.1039/D0CE01272F","","","0.71073","MoKα","","0.1007","0.0538","","","0.087","0.1082","","","","","","1.049","","","","has coordinates","256785","2020-10-21","18:00:00",""
"7241314","15.3058","0.0005","12.5506","0.0003","15.1113","0.0004","90","","99.054","0.003","90","","2866.67","0.14","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Br2 Cl4 N10 Zn2 -","- C22 H16 Br2 Cl4 N10 Zn2 -","- C88 H64 Br8 Cl16 N40 Zn8 -","4","0.5","","Ramirez de Arellano, Carmen; Adam, Rosa; Ballesteros-Garrido, Rafael; Abarca, Belén; Ballesteros, Rafael; Alkorta, Ibon; Elguero, Jose; Escrivá, Emilio","A C(π-hole)···Cl-Zn tetrel interaction driving a metal-organic supramolecular assembly","CrystEngComm","2020","","","","","10.1039/D0CE01272F","","","0.71073","MoKα","","0.0278","0.0186","","","0.0434","0.0441","","","","","","0.925","","","","has coordinates","256785","2020-10-21","18:00:00",""
"7241315","11.6196","0.0004","12.0604","0.0005","12.2162","0.0004","63.651","0.002","75.955","0.002","61.239","0.002","1343.91","0.09","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Cu2 N8 O6 V2 -","- C24 H20 Cu2 N8 O6 V2 -","- C48 H40 Cu4 N16 O12 V4 -","2","1","","Tian, Hong-Rui; Zhang, Zhong; Liu, Shu-Mei; Dang, Tian-Yi; Li, Zhuo; Lu, Ying; Liu, Shu-Xia","A highly stable polyoxovanadate-based Cu(i)‒MOF for the carboxylative cyclization of CO2 with propargylic alcohols at room temperature","Green Chemistry","2020","22","21","7513","7520","10.1039/D0GC02812F","","","0.71073","MoKα","","0.0458","0.0292","","","0.0606","0.0681","","","","","","1.072","","","","has coordinates","258881","2020-11-06","12:33:57",""
"7241316","21.071","0.003","21.271","0.003","36.786","0.005","80.137","0.004","82.278","0.004","78.032","0.004","15807","4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C280 H294 Ag32 Au12 P4 S26 -","- C280 H294 Ag32 Au12 P4 S26 -","- C560 H588 Ag64 Au24 P8 S52 -","2","1","","He, Lizhong; He, Xinhai; wang, junbo; qu, yinhu; Su, Xiaolei; zheng, jioajiao; zhao, xiaoliang","The positional isomerism in the bimetal nanocluster","CrystEngComm","2020","","","","","10.1039/D0CE01334J","","","0.71073","MoKα","","0.1697","0.0963","","","0.2516","0.3022","","","","","","1.033","","","","has coordinates","256816","2020-10-21","18:00:00",""
"7241317","18.4309","0.0002","13.5312","0.0001","18.5524","0.0002","90","","97.887","0.001","90","","4583.06","0.08","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H55 N3 Na Ni4 O18 P3 -","- C35 H55 N3 Na Ni4 O18 P3 -","- C140 H220 N12 Na4 Ni16 O72 P12 -","4","1","","Doroshenko, Iaroslav; Böhme, Michael; Buchholz, Axel; Simonikova, Lucie; Plass, Winfried; Pinkas, Jiri","Octanuclear nickel phosphonate core forming extended and molecular structures","CrystEngComm","2020","","","","","10.1039/D0CE01055C","","","0.71073","MoKα","","0.0333","0.0285","","","0.0738","0.0766","","","","","","1.044","","","","has coordinates","256817","2020-10-21","18:00:00",""
"7241318","15.476","0.001","24.1101","0.0017","18.3598","0.0013","90","","113.266","0.002","90","","6293.5","0.8","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 N3 Na Ni4 O19 P3 -","- C48 H56 N3 Na Ni4 O19 P3 -","- C192 H224 N12 Na4 Ni16 O76 P12 -","4","1","","Doroshenko, Iaroslav; Böhme, Michael; Buchholz, Axel; Simonikova, Lucie; Plass, Winfried; Pinkas, Jiri","Octanuclear nickel phosphonate core forming extended and molecular structures","CrystEngComm","2020","","","","","10.1039/D0CE01055C","","","0.71073","MoKα","","0.0893","0.0729","","","0.1952","0.2033","","","","","","1.047","","","","has coordinates,has disorder","256817","2020-10-21","18:00:00",""
"7241319","14.5663","0.001","18.8563","0.0013","20.5672","0.0014","96.8765","0.0016","90.3808","0.0017","104.564","0.002","5424.3","0.6","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H87 Br6 N6 Na2 Ni8 O36 P6 -","- C69 H87 Br6 N6 Na2 Ni8 O36 P6 -","- C138 H174 Br12 N12 Na4 Ni16 O72 P12 -","2","1","","Doroshenko, Iaroslav; Böhme, Michael; Buchholz, Axel; Simonikova, Lucie; Plass, Winfried; Pinkas, Jiri","Octanuclear nickel phosphonate core forming extended and molecular structures","CrystEngComm","2020","","","","","10.1039/D0CE01055C","","","0.71073","MoKα","","0.0912","0.0641","","","0.1678","0.1823","","","","","","1.004","","","","has coordinates,has disorder","256817","2020-10-21","18:00:00",""
"7241320","8.2197","0.0002","10.4608","0.0002","14.4752","0.0003","77.0948","0.0008","79.6924","0.0008","81.5655","0.0009","1186.21","0.04","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H22 N2 O3 -","- C31 H22 N2 O3 -","- C62 H44 N4 O6 -","2","1","","Kadiyala, Veerabhushanam; Kumar, Perla Bharath; Sunil, Komalla; Raju, Chittala Emmaniel; Sridhar, Balasubramanian; Karunakar, Galla V.","Gold(iii) promoted formation of dihydroquinazolinones: double X‒H activation by gold","RSC Advances","2020","10","59","35681","35691","10.1039/D0RA06537D","","","0.71073","MoKα","","0.1111","0.0634","","","0.1459","0.1669","","","","","","1.021","","","","has coordinates","256823","2020-10-21","18:00:00",""
"7241321","9.1182","0.0006","13.8291","0.001","23.4126","0.0016","103.581","0.001","91.205","0.002","98.758","0.002","2831.3","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H26.5 N2 O4.5 -","- C35 H26.5 N2 O4.5 -","- C140 H106 N8 O18 -","4","2","","Kadiyala, Veerabhushanam; Kumar, Perla Bharath; Sunil, Komalla; Raju, Chittala Emmaniel; Sridhar, Balasubramanian; Karunakar, Galla V.","Gold(iii) promoted formation of dihydroquinazolinones: double X–H activation by gold","RSC Advances","2020","10","59","35681","35691","10.1039/D0RA06537D","","","0.71073","MoKα","","0.1601","0.0774","","","0.1557","0.2035","","","","","","1.037","","","","has coordinates","295543","2024-10-18","15:17:09",""
"7241322","15.666","0.0016","7.1513","0.0007","17.0738","0.0017","90","","111.938","0.005","90","","1774.3","0.3","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","TPCB","rctt-tetrakis-(5-pyrimidyl)-cyclobutane","","- C20 H16 N8 -","- C20 H16 N8 -","- C80 H64 N32 -","4","0.5","","Sinnwell, Michael A.; Santana, Carlos; Bosch, Eric; MacGillivray, Len R.; Groeneman , Ryan","Application of a tetrapyrimidyl cyclobutane synthesized in the organic solid state: a halogen-bonded supramolecular ladder","CrystEngComm","2020","","","","","10.1039/D0CE01280G","","","0.71073","MoKα","","0.0677","0.0577","","","0.1333","0.14","","","","","","1.119","","","","has coordinates,has disorder","256842","2020-10-21","18:00:00",""
"7241323","8.9258","0.0005","9.1762","0.0006","14.6465","0.0008","82.686","0.002","74.068","0.002","72.653","0.002","1099.72","0.11","102","2","102","2","","","","","","","","5","P -1","-P 1","2","","rctt-1,2,3,4-tetrakis-(5-pyrimdyl)cyclobutane tetrachloro-1,4-diiodobenzne","","- C39 H24 Cl8 I4 N8 -","- C39 H24 Cl8 I4 N8 -","- C39 H24 Cl8 I4 N8 -","1","0.5","","Sinnwell, Michael A.; Santana, Carlos; Bosch, Eric; MacGillivray, Len R.; Groeneman , Ryan","Application of a tetrapyrimidyl cyclobutane synthesized in the organic solid state: a halogen-bonded supramolecular ladder","CrystEngComm","2020","","","","","10.1039/D0CE01280G","","","0.71073","MoKα","","0.0283","0.0225","","","0.048","0.0499","","","","","","1.048","","","","has coordinates,has disorder","256842","2020-10-21","18:00:00",""
"7241324","8.8412","0.0019","9.012","0.002","12.227","0.003","70.384","0.003","71.053","0.003","77.807","0.004","862.2","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H6 Br5 N O4 -","- C13 H6 Br5 N O4 -","- C26 H12 Br10 N2 O8 -","2","1","","Singha, Soumen; Goswami, Somen; Dey, Sanjoy Kumar; Jana, Rajkumar; Ray, Partha Pratim; Saha, Indrajit; Rizzoli, Corrado; Bag, Partha Pratim; Kumar, Sanjay; SAHA, RAJAT","Synergistic Effect of Various Intermolecular Interactions on Self-assembly and Optoelectronic Behaviour in Co-crystals/Salts of Tetrabromoterephthalic Acid: A Report on Their Structure, Theoretical Study and Hirshfeld Surface Analysis","CrystEngComm","2020","","","","","10.1039/D0CE01102A","","","0.71073","MoKα","","0.0491","0.0407","","","0.1123","0.1179","","","","","","1.095","","","","has coordinates","256843","2020-10-21","18:00:00",""
"7241325","8.914","0.002","10.446","0.003","10.466","0.003","65.089","0.007","86.05","0.008","75.658","0.008","855.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Br8 N4 O10 -","- C26 H20 Br8 N4 O10 -","- C26 H20 Br8 N4 O10 -","1","0.5","","Singha, Soumen; Goswami, Somen; Dey, Sanjoy Kumar; Jana, Rajkumar; Ray, Partha Pratim; Saha, Indrajit; Rizzoli, Corrado; Bag, Partha Pratim; Kumar, Sanjay; SAHA, RAJAT","Synergistic Effect of Various Intermolecular Interactions on Self-assembly and Optoelectronic Behaviour in Co-crystals/Salts of Tetrabromoterephthalic Acid: A Report on Their Structure, Theoretical Study and Hirshfeld Surface Analysis","CrystEngComm","2020","","","","","10.1039/D0CE01102A","","","0.71073","MoKα","","0.0834","0.0694","","","0.2164","0.2302","","","","","","1.09","","","","has coordinates","256843","2020-10-21","18:00:00",""
"7241326","9.0292","0.001","9.4163","0.0011","12.2764","0.0014","108.671","0.002","108.502","0.002","93.051","0.002","923.69","0.18","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Br8 N4 O12 -","- C28 H20 Br8 N4 O12 -","- C28 H20 Br8 N4 O12 -","1","0.5","","Singha, Soumen; Goswami, Somen; Dey, Sanjoy Kumar; Jana, Rajkumar; Ray, Partha Pratim; Saha, Indrajit; Rizzoli, Corrado; Bag, Partha Pratim; Kumar, Sanjay; SAHA, RAJAT","Synergistic Effect of Various Intermolecular Interactions on Self-assembly and Optoelectronic Behaviour in Co-crystals/Salts of Tetrabromoterephthalic Acid: A Report on Their Structure, Theoretical Study and Hirshfeld Surface Analysis","CrystEngComm","2020","","","","","10.1039/D0CE01102A","","","0.71073","MoKα","","0.0348","0.0305","","","0.0762","0.0785","","","","","","1.059","","","","has coordinates","256843","2020-10-21","18:00:00",""
"7241327","9.4075","0.0004","18.8184","0.0005","21.0347","0.0009","90","","90","","90","","3723.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H42 Br16 N8 O21 -","- C52 H42 Br16 N8 O21 -","- C104 H84 Br32 N16 O42 -","2","0.25","","Singha, Soumen; Goswami, Somen; Dey, Sanjoy Kumar; Jana, Rajkumar; Ray, Partha Pratim; Saha, Indrajit; Rizzoli, Corrado; Bag, Partha Pratim; Kumar, Sanjay; SAHA, RAJAT","Synergistic Effect of Various Intermolecular Interactions on Self-assembly and Optoelectronic Behaviour in Co-crystals/Salts of Tetrabromoterephthalic Acid: A Report on Their Structure, Theoretical Study and Hirshfeld Surface Analysis","CrystEngComm","2020","","","","","10.1039/D0CE01102A","","","0.71069","MoKα","","0.0619","0.0368","","","0.0769","0.0868","","","","","","1.073","","","","has coordinates","256843","2020-10-21","18:00:00",""
"7241328","12.374","0.003","12.165","0.003","17.437","0.005","90","","91.265","0.004","90","","2624.1","1.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H24 Ag2 Mo5 N4 O25 P2 -","- C4 H24 Ag2 Mo5 N4 O25 P2 -","- C16 H96 Ag8 Mo20 N16 O100 P8 -","4","0.5","","Niu, Jingyang; Hua, Jiai; Yuan, Xin; Ma, Xiang; Ma, Pengtao; Wang, Jingping","A silver-substituted phosphomolybdate prevents the growth of bacteria without affecting the balance of reactive oxygen species","CrystEngComm","2020","","","","","10.1039/D0CE01283A","","","0.71073","MoKα","","0.0203","0.0189","","","0.0461","0.0468","","","","","","1.075","","","","has coordinates","256844","2020-10-21","18:00:00",""
"7241329","14.07","0.003","14.72","0.003","15.43","0.003","66.56","0.03","67.55","0.03","76.46","0.03","2697","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C133 H115 N9 O16 Zn2 -","- C133 H115 N9 O16 Zn2 -","- C133 H115 N9 O16 Zn2 -","1","0.5","","KNIAZEVA, Mariia; Ovsyannikov, Alexander; Islamov, Daut; Samigullina, Aida I.; Gubaidullin, Aidar Timergalievich; Dorovatovskii, Pavel; Solovieva, Svetlana; Igor, Antipin S.; Ferlay, Sylvie","Nuclearity control in calix[4]arene based zinc (II) coordination complexes","CrystEngComm","2020","","","","","10.1039/D0CE01232G","","","0.79313","synchrotron","","0.0493","0.0434","","","0.116","0.1203","","","","","","1.071","","","","has coordinates,has disorder","256845","2020-10-21","18:00:00",""
"7241330","16.713","0.003","17.962","0.004","16.109","0.003","90","","108.93","0.03","90","","4574.4","1.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 O11 S3 -","- C50 H54 O11 S3 -","- C200 H216 O44 S12 -","4","1","","KNIAZEVA, Mariia; Ovsyannikov, Alexander; Islamov, Daut; Samigullina, Aida I.; Gubaidullin, Aidar Timergalievich; Dorovatovskii, Pavel; Solovieva, Svetlana; Igor, Antipin S.; Ferlay, Sylvie","Nuclearity control in calix[4]arene based zinc (II) coordination complexes","CrystEngComm","2020","","","","","10.1039/D0CE01232G","","","0.79313","synchrotron","","0.0701","0.0462","","","0.1098","0.1227","","","","","","1.027","","","","has coordinates","256845","2020-10-21","18:00:00",""
"7241331","33.388","0.005","33.388","0.005","22.267","0.004","90","","90","","120","","21497","6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C94 H84 N2 O18 Zn -","- C94 H84 N2 O18 Zn -","- C846 H756 N18 O162 Zn9 -","9","0.5","","KNIAZEVA, Mariia; Ovsyannikov, Alexander; Islamov, Daut; Samigullina, Aida I.; Gubaidullin, Aidar Timergalievich; Dorovatovskii, Pavel; Solovieva, Svetlana; Igor, Antipin S.; Ferlay, Sylvie","Nuclearity control in calix[4]arene based zinc (II) coordination complexes","CrystEngComm","2020","","","","","10.1039/D0CE01232G","","","0.79313","synchrotron","","0.0888","0.0707","","","0.2102","0.2269","","","","","","1.042","","","","has coordinates","256845","2020-10-21","18:00:00",""
"7241332","26.971","0.005","23.006","0.005","35.506","0.007","90","","90","","90","","22031","8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C102 H120 N6 O27 S4 Zn3 -","- C102 H120 N6 O27 S4 Zn3 -","- C816 H960 N48 O216 S32 Zn24 -","8","1","","KNIAZEVA, Mariia; Ovsyannikov, Alexander; Islamov, Daut; Samigullina, Aida I.; Gubaidullin, Aidar Timergalievich; Dorovatovskii, Pavel; Solovieva, Svetlana; Igor, Antipin S.; Ferlay, Sylvie","Nuclearity control in calix[4]arene based zinc (II) coordination complexes","CrystEngComm","2020","","","","","10.1039/D0CE01232G","","","0.79312","synchrotron","","0.0943","0.0625","","","0.1719","0.1947","","","","","","1.036","","","","has coordinates,has disorder","256845","2020-10-21","18:00:00",""
"7241333","10.3969","0.0006","18.2975","0.0009","19.3503","0.0008","96.169","0.004","96.545","0.004","105.325","0.005","3490.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H64 Dy2 N6 O32 P8 -","- C50 H56 Dy2 N6 O28 P8 -","- C100 H112 Dy4 N12 O56 P16 -","2","1","","Wang, Guo-Ming; Wei, Wu-Ji; Zhang, Qian; Li, Qi; Chen, Yao-Yao; Gao, Pei; Li, Wei; Hu, Ji-Xiang","Triple responsive room temperature luminescence, photochromism and photomagnetism in a Dy(III)-based linear chain complex","CrystEngComm","2020","","","","","10.1039/D0CE01268H","","","0.71073","MoKα","","0.0576","0.0381","","","0.0876","0.0952","","","","","","0.999","","","","has coordinates","256877","2020-10-21","18:00:00",""
"7241334","10.3539","0.0005","10.9951","0.0006","11.059","0.0007","90","","90","","90","","1258.98","0.12","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H11 B F4 N2 O -","- C13 H11 B F4 N2 O -","- C52 H44 B4 F16 N8 O4 -","4","1","","Gao, Wenjing; Wan, Yameng; Zhang, Zhiguo; Wu, Hao; Liu, Tongxin; Zhang, Guisheng","The Hofmann reaction involving annulation of o-(pyridin-2-yl)aryl amides selectively and rapidly leads to potential photocatalytically active 6H-pyrido[1,2-c]quinazolin-6-one derivatives","Green Chemistry","2020","22","22","7955","7961","10.1039/D0GC02777D","","x-ray","0.71073","MoKα","","0.0505","0.0443","","","0.1253","0.1345","","","","","","0.87","","","","has coordinates","259605","2020-12-06","14:25:50",""
"7241335","8.4812","0.0018","24.898","0.005","7.7969","0.0016","90","","95.961","0.004","90","","1637.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N18 O4 -","- C6 H16 N18 O4 -","- C24 H64 N72 O16 -","4","1","","Cong, Zhang; Xiang, Chen; Yongpeng, Hu; Yang, Bai; Zhaoqi, Guo; Daidi, Fan; Haixia, Ma","A series of guanidine salts of 3,6-bis-nitroguanyl-1,2,4,5-tetrazine: green nitrogen-rich gas-generating agent","RSC Advances","2020","10","60","36287","36294","10.1039/D0RA06766K","","","0.71073","MoKα","","0.1191","0.0552","","","0.0855","0.1047","","","","","","1.03","","","","has coordinates","256918","2020-10-21","18:00:00",""
"7241336","7.472","0.0016","7.8861","0.0016","8.2265","0.0018","80.222","0.004","64.653","0.003","84.717","0.004","431.61","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H18 N20 O4 -","- C6 H18 N20 O4 -","- C6 H18 N20 O4 -","1","0.5","","Cong, Zhang; Xiang, Chen; Yongpeng, Hu; Yang, Bai; Zhaoqi, Guo; Daidi, Fan; Haixia, Ma","A series of guanidine salts of 3,6-bis-nitroguanyl-1,2,4,5-tetrazine: green nitrogen-rich gas-generating agent","RSC Advances","2020","10","60","36287","36294","10.1039/D0RA06766K","","","0.71073","MoKα","","0.11","0.0713","","","0.1601","0.1844","","","","","","1.036","","","","has coordinates","256918","2020-10-21","18:00:00",""
"7241337","13.0663","0.0001","12.9391","0.0001","46.62","0.0005","90","","98.001","0.001","90","","7805.14","0.12","298","2","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","C84H98N8Zn","","- C84 H98 N8 Zn -","- C84 H98 N8 Zn -","- C336 H392 N32 Zn4 -","4","1","","Loke, Shiva K.; Pagadala, Eswar; Devaraju, S.; Srinivasadesikan, V.; Kottalanka, Ravi K.","New zinc complexes derived from “self-adaptable” acyclic diiminodipyrromethanes as potent catalysts for the reduction of curing temperature of bisphenol-A/F benzoxazines","RSC Advances","2020","10","60","36275","36286","10.1039/D0RA07837A","","x-ray","1.54184","CuKα","","0.0585","0.0553","","","0.1332","0.1361","","","","","","1.004","","","","has coordinates","256919","2020-10-21","18:00:00",""
"7241338","12.0275","0.0007","12.8465","0.0006","14.5982","0.0008","104.022","0.004","93.333","0.005","108.901","0.004","2047.3","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H53 N4 O2 -","- C44 H53 N4 O2 -","- C88 H106 N8 O4 -","2","1","","Loke, Shiva K.; Pagadala, Eswar; Devaraju, S.; Srinivasadesikan, V.; Kottalanka, Ravi K.","New zinc complexes derived from “self-adaptable” acyclic diiminodipyrromethanes as potent catalysts for the reduction of curing temperature of bisphenol-A/F benzoxazines","RSC Advances","2020","10","60","36275","36286","10.1039/D0RA07837A","","","0.71073","MoKα","","0.1384","0.0744","","","0.1677","0.2128","","","","","","1.042","","","","has coordinates,has disorder","256919","2020-10-21","18:00:00",""
"7241339","11.8769","0.0003","13.4192","0.0004","17.2498","0.0004","85.646","0.002","89.156","0.002","73.944","0.003","2634.32","0.13","298.15","","298.15","","","","","","","","","5","P -1","-P 1","2","","ZnCl2N4C63H54","","- C63 H54 Cl2 N4 Zn -","- C63 H54 Cl2 N4 Zn -","- C126 H108 Cl4 N8 Zn2 -","2","1","","Loke, Shiva K.; Pagadala, Eswar; Devaraju, S.; Srinivasadesikan, V.; Kottalanka, Ravi K.","New zinc complexes derived from “self-adaptable” acyclic diiminodipyrromethanes as potent catalysts for the reduction of curing temperature of bisphenol-A/F benzoxazines","RSC Advances","2020","10","60","36275","36286","10.1039/D0RA07837A","","x-ray","1.54184","CuKα","","0.0642","0.0576","","","0.1512","0.156","","","","","","1.0445","","","","has coordinates","256919","2020-10-21","18:00:00",""
"7241340","7.7317","0.0013","11.617","0.002","20.846","0.004","90","","92.684","0.002","90","","1870.3","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H16 Br6 N2 O Pb2 -","- C4 H16 Br6 N2 O Pb2 -","- C16 H64 Br24 N8 O4 Pb8 -","4","1","","Zhang, Wei-Feng; Zhao, Jian-Qiang; Sun, Xing-Yu; Ma, Yue-Yu; Pan, Hong-Mei; Jing, Zhihong; Lei, Xiao-Wu; Yao, Qingxia","Tetrameric Cluster Assembled One-Dimensional Hybrid Lead Halides with Broadband Light Emission","CrystEngComm","2020","","","","","10.1039/D0CE01202E","","","0.71073","MoKα","","0.0627","0.0413","","","0.0929","0.1015","","","","","","1.016","","","","has coordinates","256969","2020-10-21","18:00:00",""
"7241341","14.597","0.004","12.063","0.003","21.211","0.007","90","","91.264","0.003","90","","3734","1.9","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H40 Br10 N4 Pb3 -","- C14 H40 Br10 N4 Pb3 -","- C56 H160 Br40 N16 Pb12 -","4","0.5","","Zhang, Wei-Feng; Zhao, Jian-Qiang; Sun, Xing-Yu; Ma, Yue-Yu; Pan, Hong-Mei; Jing, Zhihong; Lei, Xiao-Wu; Yao, Qingxia","Tetrameric Cluster Assembled One-Dimensional Hybrid Lead Halides with Broadband Light Emission","CrystEngComm","2020","","","","","10.1039/D0CE01202E","","","0.71073","MoKα","","0.0822","0.0518","","","0.1211","0.1349","","","","","","1.041","","","","has coordinates","256969","2020-10-21","18:00:00",""
"7241342","8.194","0.015","19.75","0.04","14.33","0.03","90","","92.072","0.017","90","","2318","8","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H23 Br6 N2 O Pb2 -","- C9 H21 Br6 N2 O Pb2 -","- C36 H84 Br24 N8 O4 Pb8 -","4","2","","Zhang, Wei-Feng; Zhao, Jian-Qiang; Sun, Xing-Yu; Ma, Yue-Yu; Pan, Hong-Mei; Jing, Zhihong; Lei, Xiao-Wu; Yao, Qingxia","Tetrameric Cluster Assembled One-Dimensional Hybrid Lead Halides with Broadband Light Emission","CrystEngComm","2020","","","","","10.1039/D0CE01202E","","","0.71073","MoKα","","0.0778","0.0361","","","0.0535","0.0621","","","","","","0.952","","","","has coordinates","256969","2020-10-21","18:00:00",""
"7241343","24.6238","0.0017","11.6554","0.0008","14.3516","0.001","90","","124.349","0.003","90","","3400.6","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H40 Cl10 N4 Pb3 -","- C14 H40 Cl10 N4 Pb3 -","- C56 H160 Cl40 N16 Pb12 -","4","0.5","","Zhang, Wei-Feng; Zhao, Jian-Qiang; Sun, Xing-Yu; Ma, Yue-Yu; Pan, Hong-Mei; Jing, Zhihong; Lei, Xiao-Wu; Yao, Qingxia","Tetrameric Cluster Assembled One-Dimensional Hybrid Lead Halides with Broadband Light Emission","CrystEngComm","2020","","","","","10.1039/D0CE01202E","","","0.71073","MoKα","","0.0317","0.0242","","","0.0551","0.0575","","","","","","1.06","","","","has coordinates","256969","2020-10-21","18:00:00",""
"7241344","35.4","0.7","5.28","0.11","22.6","0.5","90","","118.2","0.5","90","","3723","14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Claritin","Loratadine","","- C22 H23 Cl N2 O2 -","- C22 H23 Cl N2 O2 -","- C176 H184 Cl8 N16 O16 -","8","1","","Woollam, Grahame R.; Das, Partha P.; Mugnaioli, Enrico; Andrusenko, Iryna; Galanis, Athanassios S.; van de Streek, Jacco; Nicolopoulos, Stavros; Gemmi, Mauro; Wagner, Trixie","Structural Analysis of Metastable Pharmaceutical Loratadine Form II, by 3D Electron Diffraction and DFT+D Energy Minimisation","CrystEngComm","2020","","","","","10.1039/D0CE01216E","","electron","0.0335","electron","","0.5758","0.5807","","","0.8072","0.8195","","","","","","3.488","","","","has coordinates","256970","2020-10-21","18:00:00",""
"7241345","8.1303","0.0009","8.5936","0.0011","9.2306","0.0012","88.833","0.011","68.333","0.011","89.254","0.01","599.23","0.14","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","lithiumdimethylamide","","- C20 H44 Li2 N2 O4 -","- C20 H44 Li2 N2 O4 -","- C20 H44 Li2 N2 O4 -","1","0.5","","Yang, Hongzhi; Zeng, Tianying; Xi, Shuang; Hu, Shengkun; Wu, Yunfei; Tang, Yefeng","Photoinduced, strain-promoted cycloadditions of trans-cycloheptenones and azides","Green Chemistry","2020","22","20","7023","7030","10.1039/D0GC02347G","","x-ray","0.71073","MoKα","","0.0926","0.0589","","","0.1658","0.1789","","","","","","0.92","","","","has coordinates,has disorder","258875","2020-11-06","12:32:29",""
"7241346","13.1208","0.0003","7.6644","0.0001","15.2725","0.0004","90","","111.229","0.003","90","","1431.63","0.06","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Yang, Hongzhi; Zeng, Tianying; Xi, Shuang; Hu, Shengkun; Wu, Yunfei; Tang, Yefeng","Photoinduced, strain-promoted cycloadditions of trans-cycloheptenones and azides","Green Chemistry","2020","22","20","7023","7030","10.1039/D0GC02347G","","x-ray","1.54184","CuKα","","0.0406","0.0376","","","0.0948","0.0972","","","","","","1.02","","","","has coordinates","258875","2020-11-06","12:32:36",""
"7241347","13.7013","0.0006","6.4058","0.0004","17.3373","0.001","90","","96.021","0.005","90","","1513.26","0.15","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H33 N6 O8 P -","- C28 H33 N6 O8 P -","- C56 H66 N12 O16 P2 -","2","1","","Li, Long; Yin, Xian-Hong; Diao, Kai-Sheng","Improving the solubility and bioavailability of anti-hepatitis B drug PEC via PEC‒fumaric acid cocrystal","RSC Advances","2020","10","59","36125","36134","10.1039/D0RA06608G","","x-ray","0.71073","MoKα","","0.0596","0.0456","","","0.0985","0.1093","","","","","","1.024","","","","has coordinates","256974","2020-10-21","18:00:00",""
"7241348","16.8773","0.0005","10.5015","0.0003","19.9631","0.0007","90","","90","","90","","3538.2","0.19","273","2","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Cd2 N13 O2 -","- C13 H7 Cd2 N13 O2 -","- C104 H56 Cd16 N104 O16 -","8","1","","Zhang, Yingying; Hu, Mingjun; Lu, Guizhen; Qin, Na; Han, Suzhen; Zhu, Kaifang; Huang, Chao; Mi, Liwei","Nanosheets-assembled microflowers-like coordination polymers by surfactant-assisted assembly with enhanced catalytic activity","CrystEngComm","2020","","","","","10.1039/D0CE01248C","","","0.71073","MoKα","","0.0439","0.0364","","","0.11","0.1148","","","","","","1.052","","","","has coordinates","257195","2020-10-21","18:00:00",""
"7241349","13.8461","0.0003","13.8461","0.0003","23.381","0.001","90","","90","","90","","4482.5","0.2","273","2","273.15","","","","","","","","","5","I -4","I -4","82","","","","- C13 H12 N13 O3.5 Zn2 -","- C13 H5 N13 O1.5 Zn2 -","- C104 H40 N104 O12 Zn16 -","8","1","","Zhang, Yingying; Hu, Mingjun; Lu, Guizhen; Qin, Na; Han, Suzhen; Zhu, Kaifang; Huang, Chao; Mi, Liwei","Nanosheets-assembled microflowers-like coordination polymers by surfactant-assisted assembly with enhanced catalytic activity","CrystEngComm","2020","","","","","10.1039/D0CE01248C","","","0.71073","MoKα","","0.0836","0.0829","","","0.2219","0.224","","","","","","1.038","","","","has coordinates","257195","2020-10-21","18:00:00",""
"7241350","12.2664","0.0001","25.5555","0.0002","14.0136","0.0001","90","","95.385","0.001","90","","4373.51","0.06","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 Cl3 N3 O2 Ru S -","- C38 H46 Cl3 N3 O2 Ru S -","- C152 H184 Cl12 N12 O8 Ru4 S4 -","4","1","","Kia, Reza","Non-covalent Sulfoxide…(Nitrosyl Group) Interactions Involving Coordinated Nitrosyl in a Ru(II) Nitrosyl Complex with α-Diimine Ligand: Structural and Computational Studies","CrystEngComm","2020","","","","","10.1039/D0CE01063D","","","1.54184","CuKα","","0.0641","0.0617","","","0.1424","0.1433","","","","","","1.288","","","","has coordinates","257196","2020-10-21","18:00:00",""
"7241351","36.5063","0.0013","36.5063","0.0013","28.7488","0.0011","90","","90","","120","","33181","2","190","2","190","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C270 H270 Co24 N18 O84 S30 -","- C270 H270 Co24 N18 O84 S30 -","- C810 H810 Co72 N54 O252 S90 -","3","0.166667","","Li, Kaiyue; Liao, Wuping","Two Sulfur and Nitrogen-rich Cobalt-thiacalix[4]arene Compounds for Selective Mercury Removal from Aqueous Solution","CrystEngComm","2020","","","","","10.1039/D0CE01209B","","","1.54178","CuKα","","0.1528","0.1198","","","0.3145","0.3424","","","","","","1.292","","","","has coordinates","257197","2020-10-21","18:00:00",""
"7241352","49.4477","0.0009","49.4477","0.0009","39.5019","0.001","90","","90","","120","","83645","3","200","2","200","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C164 H176 Co8 N3 O20 S16 -","- C164 H176 Co8 N3 O20 S16 -","- C2952 H3168 Co144 N54 O360 S288 -","18","0.5","","Li, Kaiyue; Liao, Wuping","Two Sulfur and Nitrogen-rich Cobalt-thiacalix[4]arene Compounds for Selective Mercury Removal from Aqueous Solution","CrystEngComm","2020","","","","","10.1039/D0CE01209B","","","1.54178","CuKα","","0.0794","0.0628","","","0.1579","0.172","","","","","","0.989","","","","has coordinates","257197","2020-10-21","18:00:00",""
"7241353","12.4741","0.0011","23.658","0.002","16.9381","0.0015","90","","99.71","0.002","90","","4927","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H45 Er N2 O6 -","- C57 H45 Er N2 O6 -","- C228 H180 Er4 N8 O24 -","4","1","","Liu, Shan-Shan; Liu, Bin; Ding, Man-Man; Meng, Yin-Shan; Jing, Jia-Hui; Zhang, Yi-Quan; Wang, Xincheng; Lin, Shijing","Substituent effects of auxiliary ligand in mononuclear dibenzoylmethane DyIII/ErIII complexes: Single-molecule magnetic behavior and luminescence properties","CrystEngComm","2020","","","","","10.1039/D0CE01147A","","","0.71073","MoKα","","0.0939","0.0536","","","0.0968","0.1047","","","","","","1.008","","","","has coordinates","258210","2020-10-21","18:00:00",""
"7241354","10.4163","0.0011","21.9688","0.0019","16.7477","0.0015","90","","94.344","0.002","90","","3821.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 Er N3 O9 -","- C42 H34 Er N3 O9 -","- C168 H136 Er4 N12 O36 -","4","1","","Liu, Shan-Shan; Liu, Bin; Ding, Man-Man; Meng, Yin-Shan; Jing, Jia-Hui; Zhang, Yi-Quan; Wang, Xincheng; Lin, Shijing","Substituent effects of auxiliary ligand in mononuclear dibenzoylmethane DyIII/ErIII complexes: Single-molecule magnetic behavior and luminescence properties","CrystEngComm","2020","","","","","10.1039/D0CE01147A","","","0.71073","MoKα","","0.1019","0.0609","","","0.1282","0.1422","","","","","","1.06","","","","has coordinates","258210","2020-10-21","18:00:00",""
"7241355","10.2307","0.0001","21.9678","0.0002","16.5575","0.0002","90","","93.802","0.001","90","","3713.04","0.07","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 Dy N3 O9 -","- C42 H34 Dy N3 O9 -","- C168 H136 Dy4 N12 O36 -","4","1","","Liu, Shan-Shan; Liu, Bin; Ding, Man-Man; Meng, Yin-Shan; Jing, Jia-Hui; Zhang, Yi-Quan; Wang, Xincheng; Lin, Shijing","Substituent effects of auxiliary ligand in mononuclear dibenzoylmethane DyIII/ErIII complexes: Single-molecule magnetic behavior and luminescence properties","CrystEngComm","2020","","","","","10.1039/D0CE01147A","","x-ray","1.54184","CuKα","","0.048","0.0433","","","0.1056","0.1085","","","","","","1.056","","","","has coordinates","258210","2020-10-21","18:00:00",""
"7241356","12.332","0.0003","23.147","0.0005","16.8143","0.0004","90","","100.087","0.002","90","","4725.43","0.19","180","0.1","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H45 Dy N2 O6 -","- C57 H45 Dy N2 O6 -","- C228 H180 Dy4 N8 O24 -","4","1","","Liu, Shan-Shan; Liu, Bin; Ding, Man-Man; Meng, Yin-Shan; Jing, Jia-Hui; Zhang, Yi-Quan; Wang, Xincheng; Lin, Shijing","Substituent effects of auxiliary ligand in mononuclear dibenzoylmethane DyIII/ErIII complexes: Single-molecule magnetic behavior and luminescence properties","CrystEngComm","2020","","","","","10.1039/D0CE01147A","","","0.71073","MoKα","","0.0491","0.034","","","0.0861","0.0966","","","","","","1.091","","","","has coordinates","258210","2020-10-21","18:00:00",""
"7241357","10.7133","0.0007","18.9023","0.0011","21.6443","0.0013","90","","90","","90","","4383.1","0.5","150.15","","150.15","","","","","","","","","8","C c c m","-C 2 2c","66","","","","- C18 H30 Cs N10 Nd O7 Re6 S8 -","- C18 H30 Cs N10 Nd O7.16 Re6 S8 -","- C72 H120 Cs4 N40 Nd4 O28.64 Re24 S32 -","4","0.25","","Litvinova, Yulia M.; Gayfulin, Yakov M.; Brylev, Konstantin; Piryazev, Dmitry A.; van Leusen, Jan; Kögerler, Paul; Mironov, Yuri V.","Metal-organic frameworks with solvent-free lanthanide coordination environments: synthesis from aqueous ethanol solutions","CrystEngComm","2020","","","","","10.1039/D0CE01240H","","","0.71073","MoKα","","0.0186","0.0172","","","0.0374","0.0377","","","","","","1.175","","","","has coordinates","258211","2020-10-21","18:00:00",""
"7241358","10.8248","0.0017","10.8248","0.0017","32.123","0.005","90","","90","","120","","3259.8","0.9","150","0.1","150","0.1","","","","","","","","8","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C18 H30 Cs N10 O7 Re6 Se8 Tb -","- C18 H28 Cs N10 O6 Re6 Se8 Tb -","- C54 H84 Cs3 N30 O18 Re18 Se24 Tb3 -","3","0.25","","Litvinova, Yulia M.; Gayfulin, Yakov M.; Brylev, Konstantin; Piryazev, Dmitry A.; van Leusen, Jan; Kögerler, Paul; Mironov, Yuri V.","Metal-organic frameworks with solvent-free lanthanide coordination environments: synthesis from aqueous ethanol solutions","CrystEngComm","2020","","","","","10.1039/D0CE01240H","","","0.71073","MoKα","","0.052","0.0448","","","0.1082","0.1108","","","","","","1.107","","","","has coordinates,has disorder","258211","2020-10-21","18:00:00",""
"7241359","16.8431","0.0004","44.1352","0.0007","27.1376","0.0006","90","","107.142","0.002","90","","19277.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C114 H101 Dy12 N20 O58 -","- C114 H101 Dy12 N20 O58 -","- C456 H404 Dy48 N80 O232 -","4","0.5","","Wang, Wei; Zhang, Jing; Zhao, Ji-Hai; He, Yuan-Chun; Li, Meng-Ting; Yu, Yang","Lanthanide(III) Dodecanuclear Structure with Acylyhydrazone Schiff-base Ligand: Slow Magnetic Relaxation and Magnetocaloric Effects","CrystEngComm","2020","","","","","10.1039/D0CE01339K","","x-ray","0.71073","MoKα","","0.0358","0.0298","","","0.1046","0.1091","","","","","","1.148","","","","has coordinates,has disorder","258212","2020-10-21","18:00:00",""
"7241361","10.1692","0.0003","22.6293","0.0006","20.9402","0.0006","90","","91.6312","0.0013","90","","4816.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H20 B F24 S8 -","- C42 H20 B F24 S8 -","- C168 H80 B4 F96 S32 -","4","1","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","1.54178","CuKα","","0.047","0.0409","","","0.1103","0.1146","","","","","","1.077","","","","has coordinates,has disorder","259624","2020-12-06","14:52:18",""
"7241362","8.1423","0.0006","13.7726","0.001","10.2776","0.0007","90","","92.209","0.003","90","","1151.68","0.14","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H10 B11 Br6 S4 -","- C7 H10 B11 Br6 S4 -","- C14 H20 B22 Br12 S8 -","2","0.5","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","0.71073","MoKα","","0.0689","0.0371","","","0.0735","0.0821","","","","","","1.007","","","","has coordinates","259624","2020-12-06","14:52:18",""
"7241363","13.8745","0.0009","14.2009","0.0008","26.1484","0.0015","93.003","0.002","99.251","0.002","106.843","0.002","4840.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H50 B2 Cl2 F48 Se8 -","- C85 H50 B2 Cl2 F48 Se8 -","- C170 H100 B4 Cl4 F96 Se16 -","2","1","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","0.71073","MoKα","","0.1024","0.062","","","0.1623","0.1867","","","","","","1.08","","","","has coordinates,has disorder","259624","2020-12-06","14:52:18",""
"7241364","10.4486","0.0003","14.0122","0.0004","15.7753","0.0004","89.036","0.001","83.401","0.001","81.206","0.001","2267.35","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H24 B F24 Se4 -","- C42 H24 B F24 Se4 -","- C84 H48 B2 F48 Se8 -","2","1","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","0.71073","MoKα","","0.0546","0.0322","","","0.0737","0.0827","","","","","","1.022","","","","has coordinates,has disorder","259624","2020-12-06","14:52:18",""
"7241365","14.9617","0.0007","15.7799","0.0007","17.0816","0.0008","111.658","0.0014","101.268","0.0014","94.4328","0.0015","3626.2","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H44 B11 S8 -","- C23 H44 B11 S8 -","- C92 H176 B44 S32 -","4","2","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","1.54178","CuKα","","0.0544","0.0506","","","0.1445","0.1476","","","","","","1.061","","","","has coordinates,has disorder","259624","2020-12-06","14:52:18",""
"7241366","11.0183","0.0009","11.7862","0.0008","26.111","0.002","90","","92.046","0.003","90","","3388.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 B11 Br6 Cl2 S8 -","- C12 H16 B11 Br6 Cl2 S8 -","- C48 H64 B44 Br24 Cl8 S32 -","4","1","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","0.71073","MoKα","","0.0813","0.0385","","","0.0687","0.0794","","","","","","1.018","","","","has coordinates","259624","2020-12-06","14:52:18",""
"7241367","8.8819","0.0005","21.3136","0.001","15.0603","0.0008","90","","92.345","0.002","90","","2848.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 B11 Br6 Se4 -","- C11 H18 B11 Br6 Se4 -","- C44 H72 B44 Br24 Se16 -","4","1","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","0.71073","MoKα","","0.0524","0.0331","","","0.078","0.0851","","","","","","1.065","","","","has coordinates","259624","2020-12-06","14:52:18",""
"7241368","9.1263","0.0013","74.893","0.011","15.658","0.002","90","","104.505","0.01","90","","10361","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H146 B33 Cl2 Se12 -","- C70 H146 B33 Cl2 Se12 -","- C280 H584 B132 Cl8 Se48 -","4","1","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","1.54178","CuKα","","0.0588","0.0512","","","0.1203","0.1241","","","","","","1.117","","","","has coordinates,has disorder","259624","2020-12-06","14:52:18",""
"7241369","9.0536","0.0004","20.5662","0.0009","15.0317","0.0007","90","","96.2939","0.0017","90","","2782","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 B11 Br6 S4 -","- C11 H18 B11 Br6 S4 -","- C44 H72 B44 Br24 S16 -","4","1","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","0.71073","MoKα","","0.0412","0.0241","","","0.0466","0.0508","","","","","","1.025","","","","has coordinates","259624","2020-12-06","14:52:18",""
"7241370","9.0883","0.0016","9.2043","0.0015","10.2496","0.0017","83.788","0.007","76.145","0.007","85.976","0.007","826.7","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H48 B11 S4 -","- C23 H48 B11 S4 -","- C23 H48 B11 S4 -","1","0.5","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","0.71073","MoKα","","0.0481","0.0377","","","0.109","0.1178","","","","","","1.028","","","","has coordinates,has disorder","259624","2020-12-06","14:52:18",""
"7241371","14.5546","0.0002","4.9907","0.0005","17.1813","0.0003","90","","113.268","0.002","90","","1146.5","0.12","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 N3 O S2 -","- C11 H9 N3 O S2 -","- C44 H36 N12 O4 S8 -","4","1","","Al-Wahaibi, Lamya H.; Chakraborty, Kushumita; Al-Shaalan, Nora H.; Syed Majeed, Mohamed Yehya Annavi; Blacque, Olivier; Al-Mutairi, Aamal A.; El-Emam, Ali A.; Percino, M. Judith; Thamotharan, Subbiah","Quantitative analysis of hydrogen and chalcogen bonds in two pyrimidine-5-carbonitrile derivatives, potential DHFR inhibitors: an integrated crystallographic and theoretical study","RSC Advances","2020","10","60","36806","36817","10.1039/D0RA07215J","","","1.54184","CuKα","","0.027","0.0249","","","0.0674","0.0687","","","","","","1.064","","","","has coordinates","258222","2020-10-21","18:00:00",""
"7241372","4.6908","0.0002","9.2376","0.0003","14.6613","0.0003","94.308","0.002","93.766","0.002","100.924","0.003","619.95","0.04","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N3 O S -","- C13 H11 N3 O S -","- C26 H22 N6 O2 S2 -","2","1","","Al-Wahaibi, Lamya H.; Chakraborty, Kushumita; Al-Shaalan, Nora H.; Syed Majeed, Mohamed Yehya Annavi; Blacque, Olivier; Al-Mutairi, Aamal A.; El-Emam, Ali A.; Percino, M. Judith; Thamotharan, Subbiah","Quantitative analysis of hydrogen and chalcogen bonds in two pyrimidine-5-carbonitrile derivatives, potential DHFR inhibitors: an integrated crystallographic and theoretical study","RSC Advances","2020","10","60","36806","36817","10.1039/D0RA07215J","","","1.54184","CuKα","","0.0383","0.0327","","","0.0859","0.0888","","","","","","1.024","","","","has coordinates,has disorder","258222","2020-10-21","18:00:00",""
"7241373","5.868","0.004","9.531","0.006","10.618","0.006","107.56","0.05","93.87","0.06","106.2","0.06","536.2","0.6","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O2 S4 -","- C20 H20 N2 O2 S4 -","- C20 H20 N2 O2 S4 -","1","0.5","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","0.71069","MoKα","","0.1255","0.0447","","","0.0986","0.124","","","","","","0.986","","","","has coordinates,has disorder","258246","2020-10-21","18:00:00",""
"7241374","11.429","0.004","7.888","0.003","7.254","0.003","90","","99.2","0.03","90","","645.5","0.4","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 N2 O2 S4 -","- C9 H8 N2 O2 S4 -","- C18 H16 N4 O4 S8 -","2","0.5","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","0.71069","MoKα","","0.1078","0.0563","","","0.1445","0.1713","","","","","","1.034","","","","has coordinates,has disorder","258246","2020-10-21","18:00:00",""
"7241375","12.6138","0.0004","5.52905","0.00016","16.8453","0.0005","90","","100.868","0.0015","90","","1153.76","0.06","274","","274","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N2 O2 S4 -","- C26 H16 N2 O2 S4 -","- C52 H32 N4 O4 S8 -","2","0.5","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","1.54187","CuKα","","0.1625","0.1024","","","0.2524","0.3367","","","","","","1.235","","","","has coordinates","258246","2020-10-21","18:00:00",""
"7241376","4.8107","0.0004","9.0732","0.0006","11.0382","0.0006","108.24","0.003","98.143","0.004","96.693","0.004","446.3","0.05","274","","274","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 N2 O2 S4 -","- C18 H10 N2 O2 S4 -","- C18 H10 N2 O2 S4 -","1","0.5","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","1.54187","CuKα","","0.1228","0.0796","","","0.1775","0.2371","","","","","","0.972","","","","has coordinates","258246","2020-10-21","18:00:00",""
"7241377","25.445","0.006","8.045","0.004","7.101","0.002","90","","93.45","0.02","90","","1451","0.9","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O2 S4 -","- C11 H12 N2 O2 S4 -","- C44 H48 N8 O8 S16 -","4","1","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","0.71069","MoKα","","0.1038","0.0447","","","0.117","0.1402","","","","","","1.014","","","","has coordinates","258246","2020-10-21","18:00:00",""
"7241378","14.3245","0.0009","4.9698","0.0003","19.9041","0.0012","90","","106.595","0.003","90","","1357.95","0.15","274","","274","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O2 S4 -","- C10 H10 N2 O2 S4 -","- C40 H40 N8 O8 S16 -","4","1","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","1.54187","CuKα","","0.1507","0.074","","","0.1579","0.2123","","","","","","0.876","","","","has coordinates","258246","2020-10-21","18:00:00",""
"7241379","26.578","0.007","7.813","0.003","7.2475","0.0012","90","","93.773","0.017","90","","1501.7","0.7","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O2 S4 -","- C11 H12 N2 O2 S4 -","- C44 H48 N8 O8 S16 -","4","1","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","0.71069","MoKα","","0.1071","0.0431","","","0.114","0.1402","","","","","","1.018","","","","has coordinates","258246","2020-10-21","18:00:00",""
"7241380","10.6059","0.0003","10.3846","0.0003","17.1139","0.0005","90","","96.948","0.001","90","","1871.05","0.09","85","2","85","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 Cl14 N4 O4 W6 -","- C12 H28 Cl14 N4 O4 W6 -","- C24 H56 Cl28 N8 O8 W12 -","2","0.5","","Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.","Proton motion inside [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]: structural, Raman and luminescence studies.","Physical chemistry chemical physics : PCCP","2020","22","43","25344","25352","10.1039/d0cp04152a","","x-ray","0.71073","MoKα","","0.0235","0.0202","","","0.0411","0.0429","","","","","","1.097","","","","has coordinates,has disorder","259625","2020-12-06","14:52:28",""
"7241381","10.6198","0.0008","10.3883","0.0008","17.0912","0.001","90","","97.256","0.007","90","","1870.4","0.2","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 Cl14 N4 O4 W6 -","- C12 H28 Cl14 N4 O4 W6 -","- C24 H56 Cl28 N8 O8 W12 -","2","0.5","","Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.","Proton motion inside [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]: structural, Raman and luminescence studies.","Physical chemistry chemical physics : PCCP","2020","22","43","25344","25352","10.1039/d0cp04152a","","x-ray","0.71073","MoKα","","0.0451","0.0312","","","0.0589","0.0632","","","","","","1.013","","","","has coordinates,has disorder","259625","2020-12-06","14:52:28",""
"7241382","10.892","0.004","10.536","0.003","17.354","0.006","90","","98.397","0.012","90","","1970.2","1.1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 Cl14 N4 O4 W6 -","- C12 H28 Cl14 N4 O4 W6 -","- C24 H56 Cl28 N8 O8 W12 -","2","0.5","","Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.","Proton motion inside [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]: structural, Raman and luminescence studies.","Physical chemistry chemical physics : PCCP","2020","22","43","25344","25352","10.1039/d0cp04152a","","x-ray","0.71073","MoKα","","0.0431","0.0299","","","0.0577","0.0618","","","","","","1.021","","","","has coordinates,has disorder","259625","2020-12-06","14:52:28",""
"7241383","8.4738","0.0005","9.6099","0.0006","12.106","0.0009","88.37","0.002","69.823","0.002","84.352","0.002","920.81","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cl N3 S -","- C21 H16 Cl N3 S -","- C42 H32 Cl2 N6 S2 -","2","1","","Wang, Guanjie; Wei, Chenlong; Hong, Xianfang; Fu, Zhenqian; Huang, Wei","Sodium pyruvate as a peroxide scavenger in aerobic oxidation under carbene catalysis","Green Chemistry","2020","22","20","6819","6826","10.1039/D0GC02555K","","","0.71073","MoKα","","0.0515","0.0395","","","0.0908","0.0991","","","","","","1.024","","","","has coordinates","258880","2020-11-06","12:33:36",""
"7241384","16.6683","0.0012","7.2365","0.0004","14.3065","0.0012","90","","119.049","0.01","90","","1508.6","0.2","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Ag Cl4 N3 O3 -","- C10 H6 Ag Cl4 N3 O3 -","- C40 H24 Ag4 Cl16 N12 O12 -","4","0.5","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.0379","0.0268","","","0.069","0.0723","","","","","","1.026","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241385","8.2976","0.0005","13.7115","0.0009","14.1141","0.0009","73.313","0.006","80.742","0.005","81.585","0.005","1509.6","0.17","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H12 Ag2 Cl8 N6 O6 -","- C20 H12 Ag2 Cl8 N6 O6 -","- C40 H24 Ag4 Cl16 N12 O12 -","2","1","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.0477","0.0337","","","0.0861","0.0901","","","","","","1.043","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241386","8.1687","0.0006","13.9793","0.001","14.6804","0.0008","90","","90","","90","","1676.39","0.19","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H6 Ag Br4 N3 O3 -","- C10 H6 Ag Br4 N3 O3 -","- C40 H24 Ag4 Br16 N12 O12 -","4","1","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.0434","0.0327","","","0.0678","0.0723","","","","","","1.021","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241387","19.2103","0.0003","19.2103","0.0003","16.6266","0.0005","90","","90","","90","","6135.8","0.2","296","","296.15","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C10 H6 Ag Cl4 N3 O3 -","- C10 H6 Ag Cl4 N3 O3 -","- C160 H96 Ag16 Cl64 N48 O48 -","16","0.5","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.035","0.0249","","","0.0614","0.0639","","","","","","1.052","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241388","8.3416","0.0004","20.5345","0.0012","9.6839","0.0006","90","","103.852","0.006","90","","1610.52","0.16","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Ag Br4 N3 O3 -","- C10 H6 Ag Br4 N3 O3 -","- C40 H24 Ag4 Br16 N12 O12 -","4","1","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.0443","0.035","","","0.0888","0.0942","","","","","","1.054","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241389","19.3089","0.0008","19.3089","0.0008","17.5217","0.0012","90","","90","","90","","6532.7","0.6","296","","296.15","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C10 H6 Ag Br4 N3 O3 -","- C10 H6 Ag Br4 N3 O3 -","- C160 H96 Ag16 Br64 N48 O48 -","16","0.5","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.0559","0.0306","","","0.0586","0.063","","","","","","1.055","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241390","13.1097","0.0007","8.0041","0.0005","14.2334","0.0008","90","","117.105","0.003","90","","1329.5","0.14","293.15","","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","1","","Du, Yanqing; Liang, Fengying; Hu, Mixia; Bu, Ren; Wang, Meiling; Tsuda, Akihiko; Eerdun, Chaolu","Hydroxychalcone dyes that serve as color indicators for pH and fluoride ions","RSC Advances","2020","10","61","37463","37472","10.1039/D0RA06719A","","","1.54178","CuKα","","0.079","0.0605","","","0.1583","0.1716","","","","","","1.061","","","","has coordinates","258326","2020-10-21","18:00:00",""
"7241391","6.5678","0.0008","6.0983","0.0007","7.8715","0.0008","90","","90","","90","","315.27","0.06","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Oxalic acid alpha polymorph","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Bhattacharya, Suman","Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid","CrystEngComm","2020","","","","","10.1039/D0CE01080D","","","0.71073","MoKα","","0.0281","0.0254","","","0.0661","0.0671","","","","","","1.105","","","","has coordinates","258352","2020-10-21","18:00:00",""
"7241392","6.5224","0.0011","6.0741","0.0008","7.8268","0.0012","90","","90","","90","","310.08","0.08","228","2","228","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Oxalic acid alpha polymorph","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Bhattacharya, Suman","Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid","CrystEngComm","2020","","","","","10.1039/D0CE01080D","","","0.71073","MoKα","","0.0299","0.0284","","","0.0683","0.0692","","","","","","1.126","","","","has coordinates","258352","2020-10-21","18:00:00",""
"7241393","6.4914","0.0005","6.0556","0.0005","7.802","0.0005","90","","90","","90","","306.69","0.04","156","2","156","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Oxalic acid alpha polymorph","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Bhattacharya, Suman","Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid","CrystEngComm","2020","","","","","10.1039/D0CE01080D","","","0.71073","MoKα","","0.0273","0.0259","","","0.0661","0.0672","","","","","","1.109","","","","has coordinates","258352","2020-10-21","18:00:00",""
"7241394","6.5045","0.0006","6.064","0.0006","7.8072","0.0009","90","","90","","90","","307.94","0.05","192","2","192","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Oxalic acid alpha polymorph","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Bhattacharya, Suman","Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid","CrystEngComm","2020","","","","","10.1039/D0CE01080D","","","0.71073","MoKα","","0.0287","0.0266","","","0.0668","0.0684","","","","","","1.173","","","","has coordinates","258352","2020-10-21","18:00:00",""
"7241395","6.5399","0.0011","6.0841","0.0007","7.8385","0.0012","90","","90","","90","","311.89","0.08","264","2","264","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Oxalic acid alpha polymorph","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Bhattacharya, Suman","Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid","CrystEngComm","2020","","","","","10.1039/D0CE01080D","","","0.71073","MoKα","","0.0277","0.0263","","","0.0644","0.0652","","","","","","1.122","","","","has coordinates","258352","2020-10-21","18:00:00",""
"7241396","25.0469","0.0004","10.1507","0.0002","16.1021","0.0003","90","","100.547","0.001","90","","4024.69","0.13","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cu2 N10 O4 Zn -","- C40 H36 Cu2 N10 O4 Zn -","- C160 H144 Cu8 N40 O16 Zn4 -","4","0.5","","Maity, Souvik; Ghosh, Tanmoy Kumar; Gomila, Rosa Maria; Frontera, Antonio; Ghosh, Ashutosh","Recurrent π(arene)•••π(chelate ring) motifs in four trinuclear CuII2MII (M = Cd/Zn) complexes derived from an unsymmetrical N2O2 donor ligand: structural and theoretical investigations","CrystEngComm","2020","","","","","10.1039/D0CE01219J","","","0.71073","MoKα","","0.0643","0.0508","","","0.165","0.1767","","","","","","1.43","","","","has coordinates,has disorder","258353","2020-10-21","18:00:00",""
"7241397","25.3683","0.0016","10.4046","0.0007","15.3557","0.0009","90","","94.108","0.004","90","","4042.7","0.4","296","2","296","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C37 H38 Cd Cl Cu2 N5 O9 S -","- C37 H38 Cd Cl Cu2 N5 O9 S -","- C148 H152 Cd4 Cl4 Cu8 N20 O36 S4 -","4","1","","Maity, Souvik; Ghosh, Tanmoy Kumar; Gomila, Rosa Maria; Frontera, Antonio; Ghosh, Ashutosh","Recurrent π(arene)•••π(chelate ring) motifs in four trinuclear CuII2MII (M = Cd/Zn) complexes derived from an unsymmetrical N2O2 donor ligand: structural and theoretical investigations","CrystEngComm","2020","","","","","10.1039/D0CE01219J","","","0.71073","MoKα","","0.0561","0.0454","","","0.1196","0.1303","","","","","","1.136","","","","has coordinates,has disorder","258353","2020-10-21","18:00:00",""
"7241398","18.017","0.003","12.935","0.002","19.308","0.003","90","","117.267","0.002","90","","3999.7","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H39 Cu2 N7 O4 S2 Zn -","- C40 H39 Cu2 N7 O4 S2 Zn -","- C160 H156 Cu8 N28 O16 S8 Zn4 -","4","1","","Maity, Souvik; Ghosh, Tanmoy Kumar; Gomila, Rosa Maria; Frontera, Antonio; Ghosh, Ashutosh","Recurrent π(arene)•••π(chelate ring) motifs in four trinuclear CuII2MII (M = Cd/Zn) complexes derived from an unsymmetrical N2O2 donor ligand: structural and theoretical investigations","CrystEngComm","2020","","","","","10.1039/D0CE01219J","","","0.71073","MoKα","","0.0935","0.0434","","","0.0981","0.1192","","","","","","0.938","","","","has coordinates","258353","2020-10-21","18:00:00",""
"7241399","25.5879","0.0019","10.0363","0.0008","15.8719","0.0012","90","","99.931","0.003","90","","4015","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cd Cu2 N10 O4 -","- C39.9998 H36 Cd Cu2 N9.9998 O4 -","- C159.999 H144 Cd4 Cu8 N39.9992 O16 -","4","0.5","","Maity, Souvik; Ghosh, Tanmoy Kumar; Gomila, Rosa Maria; Frontera, Antonio; Ghosh, Ashutosh","Recurrent π(arene)•••π(chelate ring) motifs in four trinuclear CuII2MII (M = Cd/Zn) complexes derived from an unsymmetrical N2O2 donor ligand: structural and theoretical investigations","CrystEngComm","2020","","","","","10.1039/D0CE01219J","","","0.71073","MoKα","","0.0672","0.052","","","0.1611","0.1694","","","","","","1.485","","","","has coordinates,has disorder","258353","2020-10-21","18:00:00",""
"7241400","6.4413","0.0005","11.5184","0.001","12.4869","0.0011","90","","102.852","0.0013","90","","903.24","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-Dibromo-N,N-dimethyl-N,N-diphenylfumaramide","","- C18 H16 Br2 N2 O2 -","- C18 H16 Br2 N2 O2 -","- C36 H32 Br4 N4 O4 -","2","0.5","","Nitti, Andrea; Botta, Chiara; Forni, Alessandra; Cariati, Elena; Lucenti, Elena; Pasini, Dario","Crystallization-Induced Room-Temperature Phosphorescence in Fumaramides","CrystEngComm","2020","","","","","10.1039/D0CE01253J","","","0.71073","MoKα","","0.0402","0.0289","","","0.0669","0.0713","","","","","","1.048","","","","has coordinates","258409","2020-10-21","18:00:00",""
"7241401","18.21","0.02","7.066","0.008","19.77","0.02","90","","110.968","0.01","90","","2375","4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N, N-dimethyl-N, N-diphenylfumaramide","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C108 H108 N12 O12 -","6","1.5","","Nitti, Andrea; Botta, Chiara; Forni, Alessandra; Cariati, Elena; Lucenti, Elena; Pasini, Dario","Crystallization-Induced Room-Temperature Phosphorescence in Fumaramides","CrystEngComm","2020","","","","","10.1039/D0CE01253J","","","0.71073","MoKα","","0.221","0.0898","","","0.2022","0.2795","","","","","","0.959","","","","has coordinates","258409","2020-10-21","18:00:00",""
"7241402","9.3081","0.0002","9.3081","0.0002","6.67419","0.00018","90","","90","","120","","500.78","0.02","293","","293","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Dy4 Mg O13 Si3 -","- Dy4 Mg O13 Si3 -","- Dy8 Mg2 O26 Si6 -","2","0.166667","","Kazin, Pavel E.; Zykin, Mikhail A.; Trusov, Lev A.; Vasiliev, Alexander V.; Kremer, Reinhard K.; Dinnebier, Robert E.; Jansen, Martin","Dysprosium magnesium silicate apatite featuring field and temperature stable slow magnetization relaxation","RSC Advances","2020","10","62","37588","37595","10.1039/D0RA07069F","powder diffraction","x-ray","1.5406","CuKalpha1","","0.0294","0.0282","","0.0318","0.0317","","","","1.43","","","","","","","has coordinates","258418","2020-10-21","18:00:00",""
"7241403","21.8709","0.0008","6.3608","0.0003","25.3626","0.0009","90","","113.674","0.0019","90","","3231.4","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 F12 Fe N6 P2 S6 -","- C18 H30 F12 Fe N6 P2 S6 -","- C72 H120 F48 Fe4 N24 P8 S24 -","4","1","","Colston, Kyle J.; Dille, Sara A.; Mogesa, Benjamin; Brant, Jacilynn; Nemykin, Victor N.; Zeller, Matthias; Basu, Partha","Syntheses, spectroscopic, redox, and structural properties of homoleptic Iron(III/II) dithione complexes","RSC Advances","2020","10","63","38294","38303","10.1039/D0RA07371G","","","0.71073","MoKα","","0.0769","0.0525","","","0.1374","0.1508","","","","","","1.082","","","","has coordinates,has disorder","258446","2020-10-21","18:00:00",""
"7241404","11.227","0.0005","11.927","0.0005","27.9572","0.0012","90","","90","","90","","3743.6","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","trans communic acid","trans communic acid","","- C20 H30 O2 -","- C20 H30 O2 -","- C160 H240 O16 -","8","2","","Colston, Kyle J.; Dille, Sara A.; Mogesa, Benjamin; Brant, Jacilynn; Nemykin, Victor N.; Zeller, Matthias; Basu, Partha","Syntheses, spectroscopic, redox, and structural properties of homoleptic Iron(III/II) dithione complexes","RSC Advances","2020","10","63","38294","38303","10.1039/D0RA07371G","","","1.54178","CuKα","","0.0538","0.0488","","","0.1306","0.1374","","","","","","1.075","","","","has coordinates","258446","2020-10-21","18:00:00",""
"7241405","13.7287","0.0013","18.656","0.002","7.4592","0.0007","90","","105.962","0.006","90","","1836.8","0.3","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Liu, Xiling; Gu, Fangyuan; Zhou, Xinyi; Zhou, Wei; Zhang, Shuping; Cui, Lei; Guo, Ting","A naphthalimide-based turn-on fluorescence probe for peroxynitrite detection and imaging in living cells","RSC Advances","2020","10","63","38281","38286","10.1039/D0RA06564A","","","1.34139","GaKα","","0.1473","0.0616","","","0.1407","0.1823","","","","","","0.96","","","","has coordinates","258447","2020-10-21","18:00:00",""
"7241406","6.1241","0.0002","12.8424","0.0003","20.6476","0.0004","90","","90.852","0.002","90","","1623.72","0.07","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[La2(H2O)2(nmp)2(C6H2N2O4)3]","","- C28 H28 La2 N8 O16 -","- C28 H28 La2 N8 O16 -","- C56 H56 La4 N16 O32 -","2","0.5","","Barsukova, Marina O.; Cherezova, Sofia V.; Sapianik, Aleksandr A.; Lundovskaya, Olga V.; Samsonenko, Denis G.; Fedin, Vladimir P.","Lanthanide contraction effect and white-emitting luminescence in a series of metal‒organic frameworks based on 2,5-pyrazinedicarboxylic acid","RSC Advances","2020","10","63","38252","38259","10.1039/D0RA08485A","","x-ray","0.71073","MoKα","","0.0322","0.0285","","","0.0685","0.07","","","","","","1.097","","","","has coordinates,has disorder","258448","2020-10-21","18:00:00",""
"7241407","6.0453","0.0002","12.686","0.0005","13.2051","0.0005","62.174","0.004","86.835","0.003","87.582","0.003","894.09","0.07","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","[Y2(H2O)4(C6H2N2O4)3]*NMP*5H2O","","- C23 H33 N7 O22 Y2 -","- C18 H18 N6 O18 Y2 -","- C18 H18 N6 O18 Y2 -","1","0.5","","Barsukova, Marina O.; Cherezova, Sofia V.; Sapianik, Aleksandr A.; Lundovskaya, Olga V.; Samsonenko, Denis G.; Fedin, Vladimir P.","Lanthanide contraction effect and white-emitting luminescence in a series of metal‒organic frameworks based on 2,5-pyrazinedicarboxylic acid","RSC Advances","2020","10","63","38252","38259","10.1039/D0RA08485A","","x-ray","0.71073","MoKα","","0.0449","0.0378","","","0.0871","0.0896","","","","","","1.065","","","","has coordinates","258448","2020-10-21","18:00:00",""
"7241408","7.1634","0.0001","17.9692","0.0003","13.1115","0.0002","90","","101.212","0.002","90","","1655.51","0.05","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 F N2 O8 -","- C19 H13 F N2 O8 -","- C76 H52 F4 N8 O32 -","4","1","","Lv, Wen-Ting; Liu, Xiao-Xu; Dai, Xia-Lin; Long, Xiangtian; Chen, Jia-Mei","A 5-fluorouracil-kaempferol drug-drug cocrystal: ternary phase diagram, characterization and property evaluation","CrystEngComm","2020","","","","","10.1039/D0CE01289K","","x-ray","1.54184","CuKα","","0.0467","0.0438","","","0.1172","0.1197","","","","","","1.069","","","","has coordinates","258456","2020-10-21","18:00:00",""
"7241409","12.863","0.004","7.173","0.002","16.464","0.005","90","","90","","90","","1519.1","0.8","296.15","","296.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","0.5","","Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing","Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines","Green Chemistry","2020","22","22","7832","7838","10.1039/D0GC03009K","","","0.71073","MoKα","","0.0994","0.0472","","","0.1207","0.1486","","","","","","1.024","","","","has coordinates,has disorder","259604","2020-12-06","14:25:42",""
"7241410","20.029","0.003","20.029","0.003","9.929","0.003","90","","90","","90","","3983.1","1.5","296","2","296","2","","","","","","","","4","P 42 b c","P 4c -2ab","106","","","","- C22 H28 N2 O2 -","- C22 H28 N2 O2 -","- C176 H224 N16 O16 -","8","1","","Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing","Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines","Green Chemistry","2020","22","22","7832","7838","10.1039/D0GC03009K","","","0.71073","MoKα","","0.1293","0.0577","","","0.1304","0.1664","","","","","","1.001","","","","has coordinates","259604","2020-12-06","14:25:43",""
"7241411","11.9503","0.0006","12.9375","0.0006","19.6351","0.001","90","","90","","90","","3035.7","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H47 N7 S2 -","- C27 H47 N7 S2 -","- C108 H188 N28 S8 -","4","1","","Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing","Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines","Green Chemistry","2020","22","22","7832","7838","10.1039/D0GC03009K","","","0.71073","MoKα","","0.0518","0.0407","","","0.0952","0.1016","","","","","","1.048","","","","has coordinates","259604","2020-12-06","14:25:43",""
"7241412","12.003","0.007","19.823","0.011","16.309","0.009","90","","111.59","","90","","3608","4","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H49 N7 O2 -","- C28 H49 N7 O2 -","- C112 H196 N28 O8 -","4","1","","Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing","Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines","Green Chemistry","2020","22","22","7832","7838","10.1039/D0GC03009K","","","0.71073","MoKα","","0.1252","0.0574","","","0.1321","0.1506","","","","","","0.787","","","","has coordinates","259604","2020-12-06","14:25:43",""
"7241413","12.8442","0.0007","17.5019","0.0009","18.6407","0.0009","63.996","0.001","70.836","0.001","69.475","0.001","3450.4","0.3","200","2","200","","","","","","","","","4","P -1","-P 1","2","","","","- C62 H115 N14 O9 -","- C62 H115 N14 O9 -","- C124 H230 N28 O18 -","2","1","","Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing","Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines","Green Chemistry","2020","22","22","7832","7838","10.1039/D0GC03009K","","","0.71073","MoKα","","0.1006","0.0793","","","0.228","0.2485","","","","","","1.041","","","","has coordinates,has disorder","259604","2020-12-06","14:25:43",""
"7241414","8.279","0.017","11.9","0.03","20.37","0.04","90","","90","","90","","2007","8","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Phe-Aib-OMe","","","- C19 H28 N2 O5 -","- C19 H28 N2 O5 -","- C76 H112 N8 O20 -","4","1","","Kumar, Santosh; Nandi, Sujay; Suman, Saurav; Haldar, Debasish","A new dipeptide as selective gelator of Cu(II), Zn(II), Pb(II)","CrystEngComm","2020","","","","","10.1039/D0CE01199A","","","0.71073","MoKα","","0.0873","0.0586","","","0.1296","0.146","","","","","","0.96","","","","has coordinates","258484","2020-10-21","18:00:00",""
"7241415","10.9817","0.0006","5.3645","0.0003","14.6541","0.0009","90","","109.547","0.006","90","","813.54","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","N-PhenylGly-Phe-OMe","","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C36 H40 N4 O6 -","2","1","","Kumar, Santosh; Nandi, Sujay; Suman, Saurav; Haldar, Debasish","A new dipeptide as selective gelator of Cu(II), Zn(II), Pb(II)","CrystEngComm","2020","","","","","10.1039/D0CE01199A","","x-ray","1.54184","CuKα","","0.0392","0.0374","","","0.1009","0.1027","","","","","","1.048","","","","has coordinates","258484","2020-10-21","18:00:00",""
"7241416","11.6077","0.0004","5.8948","0.0002","23.3133","0.001","90","","100.55","0.004","90","","1568.25","0.1","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Boc-Gly-Aib-OMe","","","- C12 H22 N2 O5 -","- C12 H22 N2 O5 -","- C48 H88 N8 O20 -","4","1","","Kumar, Santosh; Nandi, Sujay; Suman, Saurav; Haldar, Debasish","A new dipeptide as selective gelator of Cu(II), Zn(II), Pb(II)","CrystEngComm","2020","","","","","10.1039/D0CE01199A","","x-ray","1.54184","CuKα","","0.0618","0.0465","","","0.1188","0.1307","","","","","","1.05","","","","has coordinates","258484","2020-10-21","18:00:00",""
"7241417","8.3923","0.0009","12.7253","0.0014","14.656","0.0015","90","","90.072","0.002","90","","1565.2","0.3","298","2","298","2","","","","","","","synthesis","6","P 1 21/c 1","-P 2ybc","14","","((E)-1-(2,6-dichlorophenyl)-3-((methylselanyl)methylene)indolin-2-one","","- C16 H11 Cl2 N O Se -","- C16 H11 Cl2 N O Se -","- C64 H44 Cl8 N4 O4 Se4 -","4","1","","Ruberte, Ana Carolina; Aydillo, Carlos; Sharma, Arun K.; Sanmartín, Carmen; Plano, Daniel","Vilsmeier reagent, NaHSe and diclofenac acid chloride: one-pot synthesis of a novel selenoindolinone with potent anticancer activity","RSC Advances","2020","10","63","38404","38408","10.1039/D0RA07332F","","x-ray","0.71073","MoKα","","0.0531","0.0365","","","0.0966","0.1049","","","","","","1.037","","","","has coordinates","258491","2020-10-21","18:00:00",""
"7241418","17.2953","0.0007","13.8502","0.0005","20.9305","0.0007","90","","90","","90","","5013.8","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H23 Br Cl3 N7 O -","- C23 H23 Br Cl3 N7 O -","- C184 H184 Br8 Cl24 N56 O8 -","8","1","","Nandikolla, Adinarayana; Srinivasarao, Singireddi; Karan Kumar, Banoth; Murugesan, Sankaranarayanan; Aggarwal, Himanshu; Major, Louise L.; Smith, Terry K.; Chandra Sekhar, Kondapalli Venkata Gowri","Synthesis, study of antileishmanial and antitrypanosomal activity of imidazo pyridine fused triazole analogues","RSC Advances","2020","10","63","38328","38343","10.1039/D0RA07881F","","x-ray","0.71073","MoKα","","0.0411","0.0292","","","0.0725","0.0791","","","","","","1.0393","","","","has coordinates,has disorder","258492","2020-10-21","18:00:00",""
"7241421","8.8768","0.0017","8.8907","0.0018","9.3073","0.0018","87.751","0.003","68.299","0.002","82.837","0.003","677.1","0.2","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C31 H26 Cl Cu N3 P -","- C31 H26 Cl Cu N3 P -","- C31 H26 Cl Cu N3 P -","1","1","","Li, Si-Jia; Huang, Jian; He, Jin-Yu; Zhang, Rui-Jin; Qian, Hao-Dong; Dai, Xue-Lin; Kong, Han-Han; Xu, Hao","Highly enantioselective copper-catalyzed propargylic amination to access N-tethered 1,6-enynes","RSC Advances","2020","10","63","38478","38483","10.1039/D0RA07698H","","","0.71073","MoKα","","0.0443","0.036","","","0.0894","0.093","","","","","","0.999","","","","has coordinates","258506","2020-10-21","04:06:08",""
"7241422","28.442","0.001","11.1139","0.0004","11.4467","0.0004","90","","90.78","0.002","90","","3618","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Methyl-2-(1-(4-(methylsulfonyl)phenyl)-3-phenyl-1H-pyrazol-5-yl)acetate","","- C19 H18 N2 O4 S -","- C19 H18 N2 O4 S -","- C152 H144 N16 O32 S8 -","8","1","","Laube, Markus; Gassner, Cemena; Neuber, Christin; Wodtke, Robert; Ullrich, Martin; Haase-Kohn, Cathleen; Löser, Reik; Köckerling, Martin; Kopka, Klaus; Kniess, Torsten; Hey-Hawkins, Evamarie; Pietzsch, Jens","Deuteration versus ethylation ‒ strategies to improve the metabolic fate of an 18F-labeled celecoxib derivative","RSC Advances","2020","10","63","38601","38611","10.1039/D0RA04494F","","","0.71073","MoKα","","0.0445","0.0358","","","0.1041","0.1124","","","","","","1.033","","","","has coordinates","258507","2020-10-21","04:06:41",""
"7241423","11.2831","0.0003","11.9926","0.0003","14.2709","0.0004","92.663","0.001","105.904","0.001","115.409","0.001","1647.31","0.08","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","3-(2-Fluoroethyl)-1-(4-(methylsulfonyl)phenyl)-5-phenyl-1H-pyrazole","","- C18 H17 F N2 O2 S -","- C18 H17 F N2 O2 S -","- C72 H68 F4 N8 O8 S4 -","4","2","","Laube, Markus; Gassner, Cemena; Neuber, Christin; Wodtke, Robert; Ullrich, Martin; Haase-Kohn, Cathleen; Löser, Reik; Köckerling, Martin; Kopka, Klaus; Kniess, Torsten; Hey-Hawkins, Evamarie; Pietzsch, Jens","Deuteration versus ethylation ‒ strategies to improve the metabolic fate of an 18F-labeled celecoxib derivative","RSC Advances","2020","10","63","38601","38611","10.1039/D0RA04494F","","","0.71073","MoKα","","0.0491","0.0391","","","0.1069","0.1149","","","","","","1.032","","","","has coordinates,has disorder","258507","2020-10-21","04:06:44",""
"7241424","8.4964","0.0004","14.0972","0.0006","11.1992","0.0005","90","","95.924","0.004","90","","1334.23","0.1","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C56 H60 N12 O16 -","4","1","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","0.71073","MoKα","","0.0477","0.039","","","0.1024","0.1083","","","","","","1.02","","","","has coordinates","258508","2020-10-21","04:08:27",""
"7241425","15.8673","0.0007","10.0421","0.0004","24.2618","0.0012","90","","91.637","0.004","90","","3864.3","0.3","296.15","","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 N3 O6 -","- C22 H21 N3 O6 -","- C176 H168 N24 O48 -","8","1","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","0.71073","MoKα","","0.0927","0.0595","","","0.1282","0.1445","","","","","","1.013","","","","has coordinates,has disorder","258508","2020-10-21","04:08:29",""
"7241426","8.3319","0.0003","12.7546","0.0006","12.3732","0.0007","90","","99.089","0.004","90","","1298.39","0.11","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N3 O4 -","- C13 H13 N3 O4 -","- C52 H52 N12 O16 -","4","1","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","0.71073","MoKα","","0.0813","0.0461","","","0.0895","0.1021","","","","","","1.017","","","","has coordinates","258508","2020-10-21","04:08:29",""
"7241427","15.2515","0.0004","6.7577","0.0002","13.2137","0.0003","90","","101.876","0.002","90","","1332.72","0.06","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","- C56 H56 N8 O20 -","4","1","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","1.54184","CuKα","","0.0549","0.0499","","","0.1444","0.1531","","","","","","1.035","","","","has coordinates","258508","2020-10-21","04:08:29",""
"7241428","24.7572","0.0013","7.6282","0.0005","13.3499","0.0006","90","","90","","90","","2521.2","0.2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C112 H104 N24 O24 -","8","1","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","0.71073","MoKα","","0.0986","0.0511","","","0.0894","0.1052","","","","","","0.899","","","","has coordinates","258508","2020-10-21","04:08:30",""
"7241429","9.788","0.002","8.4727","0.001","18.273","0.003","90","","103.86","0.02","90","","1471.3","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C60 H68 N12 O16 -","4","1","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","0.71073","MoKα","","0.1854","0.0815","","","0.1226","0.1578","","","","","","0.991","","","","has coordinates","258508","2020-10-21","04:08:30",""
"7241430","39.4655","0.0016","5.4865","0.0003","16.4148","0.0007","90","","95.157","0.004","90","","3539.9","0.3","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 N3 O5 -","- C21 H17 N3 O5 -","- C168 H136 N24 O40 -","8","1","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","1.54184","CuKα","","0.0573","0.0439","","","0.1273","0.1402","","","","","","1.054","","","","has coordinates","258508","2020-10-21","04:08:30",""
"7241431","6.5511","0.0006","22.351","0.003","9.0707","0.0012","90","","97.757","0.011","90","","1316","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C56 H52 N12 O12 -","4","1","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","0.71073","MoKα","","0.1038","0.0586","","","0.143","0.1809","","","","","","1.01","","","","has coordinates","258508","2020-10-21","04:08:31",""
"7241432","24.7095","0.0014","10.1996","0.0007","20.762","0.0014","90","","99.252","0.005","90","","5164.5","0.6","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C224 H208 N48 O48 -","16","4","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","0.71073","MoKα","","0.1312","0.0598","","","0.1132","0.1427","","","","","","0.985","","","","has coordinates","258508","2020-10-21","04:08:31",""
"7241433","8.056","0.007","9.746","0.009","10.356","0.01","116.09","0.017","91.31","0.017","108.693","0.016","678.8","1.1","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 F3 O2 -","- C16 H11 F3 O2 -","- C32 H22 F6 O4 -","2","1","","Jha, Babli K.; Prudhviraj, Jaggaraju; Mainkar, Prathama S.; Punna, Nagender; Chandrasekhar, Srivari","Diastereoselective synthesis of CF3-dihydrobenzofurans by [4+1] annulation of in situ-generated CF3-o-quinone methides and sulfur ylides","RSC Advances","2020","10","63","38588","38591","10.1039/D0RA08289A","","","0.71073","MoKα","","0.0722","0.0538","","","0.1353","0.1524","","","","","","1.049","","","","has coordinates","258509","2020-10-21","04:09:30",""
"7241436","13.8553","0.0013","14.7279","0.0014","17.3368","0.0016","77.107","0.002","69.802","0.002","85.275","0.002","3236.4","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H15 Au F13 P -","- C36 H15 Au F13 P -","- C144 H60 Au4 F52 P4 -","4","2","","Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.","Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane","CrystEngComm","2020","","","","","10.1039/D0CE00671H","","","0.71073","MoKα","","0.0523","0.0406","","","0.0969","0.1033","","","","","","1.002","","","","has coordinates","259281","2020-11-29","02:21:04",""
"7241437","14.723","0.002","12.174","0.0018","24.203","0.004","90","","99.761","0.003","90","","4275.3","1.1","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H18 Au Cl5 F15 P -","- C43 H18 Au Cl5 F15 P -","- C172 H72 Au4 Cl20 F60 P4 -","4","1","","Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.","Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane","CrystEngComm","2020","","","","","10.1039/D0CE00671H","","","0.71073","MoKα","","0.0489","0.0392","","","0.0935","0.0976","","","","","","0.999","","","","has coordinates","259281","2020-11-29","02:21:04",""
"7241438","8.861","0.003","9.823","0.004","19.31","0.007","83.09","0.006","89.197","0.007","77.683","0.007","1630","1","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H20 Au F10 P -","- C37 H20 Au F10 P -","- C74 H40 Au2 F20 P2 -","2","1","","Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.","Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane","CrystEngComm","2020","","","","","10.1039/D0CE00671H","","","0.71073","MoKα","","0.0481","0.0395","","","0.091","0.1021","","","","","","1.026","","","","has coordinates","259281","2020-11-29","02:21:05",""
"7241439","10.384","0.0004","15.1675","0.0006","24.3914","0.001","90","","96.95","0.004","90","","3813.4","0.3","200.1","0.3","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H16 Au Cl5 F13 P -","- C37 H16 Au Cl5 F13 P -","- C148 H64 Au4 Cl20 F52 P4 -","4","1","","Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.","Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane","CrystEngComm","2020","","","","","10.1039/D0CE00671H","","","0.71073","MoKα","","0.0474","0.0355","","","0.0694","0.0733","","","","","","1.035","","","","has coordinates","259281","2020-11-29","02:21:05",""
"7241440","29.979","0.005","29.979","0.005","23.525","0.009","90","","90","","120","","18310","8","294","2","294","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C37 H20 Au Cl2 F10 P -","- C37 H20 Au Cl2 F10 P -","- C666 H360 Au18 Cl36 F180 P18 -","18","1","","Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.","Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane","CrystEngComm","2020","","","","","10.1039/D0CE00671H","","","0.71073","MoKα","","0.129","0.0595","","","0.1254","0.1475","","","","","","0.905","","","","has coordinates","259281","2020-11-29","02:21:05",""
"7241441","22.855","0.006","18.306","0.005","18.508","0.005","90","","107.093","0.005","90","","7401","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H17 Au F15 P -","- C42 H17 Au F15 P -","- C336 H136 Au8 F120 P8 -","8","1","","Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.","Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane","CrystEngComm","2020","","","","","10.1039/D0CE00671H","","","0.71073","MoKα","","0.0905","0.0593","","","0.1069","0.1164","","","","","","1.094","","","","has coordinates","259281","2020-11-29","02:21:05",""
"7241442","8.3201","0.0001","11.5563","0.0002","18.7213","0.0003","95.4904","0.0013","96.5217","0.0013","91.8701","0.0014","1778.47","0.05","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C31.5 H49 N5 O8 S -","- C31.5 H49 N5 O8 S -","- C63 H98 N10 O16 S2 -","2","1","","Hikawa, Hidemasa; Takahashi, Ayaka; Kikkawa, Shoko; Suzuki, Ayaka; Takahashi, Yoshiki; Sato, Naruka; Okayasu, Misaki; Azumaya, Isao","Homochiral and heterochiral associations observed in crystals of ArSO2-(Aib)5-OMe","CrystEngComm","2020","","","","","10.1039/D0CE01267J","","","1.54187","CuKα","","0.0502","0.0483","","","0.1276","0.1308","","","","","","1.068","","","","has coordinates","259282","2020-11-29","02:22:37",""
"7241443","13.2585","0.0007","12.4082","0.0006","22.8754","0.001","90","","94.548","0.004","90","","3751.5","0.3","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30.56 H49.63 Cl1.44 N5 O8.52 S -","- C30.557 H49.633 Cl1.443 N5 O8.519 S -","- C122.228 H198.532 Cl5.772 N20 O34.076 S4 -","4","1","","Hikawa, Hidemasa; Takahashi, Ayaka; Kikkawa, Shoko; Suzuki, Ayaka; Takahashi, Yoshiki; Sato, Naruka; Okayasu, Misaki; Azumaya, Isao","Homochiral and heterochiral associations observed in crystals of ArSO2-(Aib)5-OMe","CrystEngComm","2020","","","","","10.1039/D0CE01267J","","","1.54187","CuKα","","0.1186","0.0661","","","0.1722","0.2188","","","","","","1.074","","","","has coordinates,has disorder","259282","2020-11-29","02:22:37",""
"7241444","8.2771","0.0001","11.408","0.0003","19.4068","0.0004","89.945","0.002","79.642","0.001","88.733","0.002","1802.18","0.06","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C31.5 H49 N5 O9 S -","- C31.5 H49 N5 O9 S -","- C63 H98 N10 O18 S2 -","2","1","","Hikawa, Hidemasa; Takahashi, Ayaka; Kikkawa, Shoko; Suzuki, Ayaka; Takahashi, Yoshiki; Sato, Naruka; Okayasu, Misaki; Azumaya, Isao","Homochiral and heterochiral associations observed in crystals of ArSO2-(Aib)5-OMe","CrystEngComm","2020","","","","","10.1039/D0CE01267J","","","1.54184","CuKα","","0.0505","0.0446","","","0.1282","0.135","","","","","","1.108","","","","has coordinates,has disorder","259282","2020-11-29","02:22:37",""
"7241445","13.8934","0.0004","15.6619","0.0003","16.0905","0.0004","90","","108.069","0.003","90","","3328.58","0.15","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H42 Br N5 O8 S -","- C27 H42 Br N5 O8 S -","- C108 H168 Br4 N20 O32 S4 -","4","1","","Hikawa, Hidemasa; Takahashi, Ayaka; Kikkawa, Shoko; Suzuki, Ayaka; Takahashi, Yoshiki; Sato, Naruka; Okayasu, Misaki; Azumaya, Isao","Homochiral and heterochiral associations observed in crystals of ArSO2-(Aib)5-OMe","CrystEngComm","2020","","","","","10.1039/D0CE01267J","","","0.71075","MoKα","","0.068","0.0524","","","0.1143","0.1213","","","","","","1.053","","","","has coordinates","259282","2020-11-29","02:22:37",""
"7241446","18.01208","0.00008","16.32819","0.00008","22.3516","0.0001","90","","90","","90","","6573.71","0.05","93","","93","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H45 N5 O8 S -","- C28 H45 N5 O8 S -","- C224 H360 N40 O64 S8 -","8","1","","Hikawa, Hidemasa; Takahashi, Ayaka; Kikkawa, Shoko; Suzuki, Ayaka; Takahashi, Yoshiki; Sato, Naruka; Okayasu, Misaki; Azumaya, Isao","Homochiral and heterochiral associations observed in crystals of ArSO2-(Aib)5-OMe","CrystEngComm","2020","","","","","10.1039/D0CE01267J","","","1.54187","CuKα","","0.0435","0.0409","","","0.1179","0.12","","","","","","1.024","","","","has coordinates","259282","2020-11-29","02:22:40",""
"7241449","13.2389","0.0006","14.3168","0.0007","19.9089","0.001","71.557","0.004","74.917","0.004","75.843","0.003","3401.7","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C64.5 H59 Ce3 N4.5 O24.5 -","- C64.5 H59 Ce3 N4.5 O24.4999 -","- C129 H118 Ce6 N9 O48.9998 -","2","1","","Wasson, Megan C.; Otake, Ken-ichi; Gong, Xinyi; Strathman, Annabella R.; Islamoglu, Timur; Gianneschi, Nathan C.; Farha, Omar K.","Modulation of crystal growth and structure within cerium-based metal‒organic frameworks","CrystEngComm","2020","","","","","10.1039/D0CE01223H","","","1.54178","CuKα","","0.0729","0.0527","","","0.1235","0.1338","","","","","","1.017","","","","has coordinates,has disorder","259284","2020-11-29","02:24:22",""
"7241450","24.3727","0.0011","5.3458","0.0002","36.3946","0.0017","90","","106.501","0.005","90","","4546.6","0.4","159.99","0.1","159.99","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C25 H28 O8 -","- C25 H28 O8 -","- C200 H224 O64 -","8","1","","Wan, Xuxing; Wu, Songgu; Wang, Yan; Gong, Junbo","The formation mechanism of hollow spherulites and molecular conformation of curcumin and solvate","CrystEngComm","2020","","","","","10.1039/D0CE01230K","","x-ray","1.54184","CuKα","","0.0889","0.0554","","","0.1366","0.1571","","","","","","1.035","","","","has coordinates","259285","2020-11-29","02:25:00",""
"7241451","21.7077","0.0006","5.1464","0.0001","22.8388","0.0004","90","","94.345","0.002","90","","2544.14","0.1","160","0.1","160","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 O9 -","- C27 H32 O9 -","- C108 H128 O36 -","4","1","","Wan, Xuxing; Wu, Songgu; Wang, Yan; Gong, Junbo","The formation mechanism of hollow spherulites and molecular conformation of curcumin and solvate","CrystEngComm","2020","","","","","10.1039/D0CE01230K","","x-ray","1.54184","CuKα","","0.07","0.0509","","","0.1345","0.1496","","","","","","1.032","","","","has coordinates","259285","2020-11-29","02:25:01",""
"7241452","6.9033","0.0007","21.7637","0.0019","7.8394","0.0006","90","","116.004","0.003","90","","1058.57","0.17","260","2","260","","","","","","","","","5","P 1 21 1","P 2yb","4","","DOST","","- C23 H25 N O5 S -","- C23 H25 N O5 S -","- C46 H50 N2 O10 S2 -","2","1","","Yu, Zhe; Wang, Tianhua; Wang, Guanjun; Xu, Kai; Cui, Qingtang; Cao, Lifeng; Teng, Bing","Synthesis, growth, structure analysis and performance characterization of DOST crystal: a nonlinear functional material with a wide range of applications","CrystEngComm","2020","","","","","10.1039/D0CE01243B","","","0.71073","MoKα","","0.0798","0.0499","","","0.0933","0.1078","","","","","","1.054","","","","has coordinates","259286","2020-11-29","02:25:26",""
"7241454","9.779","0.0004","10.111","0.0004","18.6534","0.0008","90","","101.536","0.002","90","","1807.11","0.13","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Cu3 N14 O12 -","- C24 H38 Cu3 N14 O12 -","- C48 H76 Cu6 N28 O24 -","2","0.5","","Dolai, Malay; Saha, Urmila; Biswas, Surajit; Chatterjee, Sabyasachi; Suresh Kumar, Gopinatha","DNA intercalative trinuclear Cu(ii) complex with new trans axial nitrato ligation as an efficient catalyst for atmospheric CO2 fixation to epoxides","CrystEngComm","2020","","","","","10.1039/D0CE01152E","","","0.71073","MoKα","","0.068","0.0416","","","0.1048","0.1158","","","","","","1.005","","","","has coordinates","259288","2020-11-29","02:26:14",""
"7241463","4.848","0.0002","5.7558","0.0002","27.297","0.0012","89.436","0.003","89.331","0.002","84.313","0.002","757.87","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H14 Au0.5 I N2 S12 -","- C26 H14 Au0.5 I N2 S12 -","- C26 H14 Au0.5 I N2 S12 -","1","0.5","","Santos, Isabel C.; Gama, Vasco; Rabaça, Sandra; Veiros, Luís F.; Nogueira, Fernando; Paixão, José A.; Almeida, Manuel","Structural diversity in conducting bilayer salts (CNB-EDT-TTF)4A","CrystEngComm","2020","","","","","10.1039/D0CE01433H","","","0.71073","MoKα","","0.0648","0.0531","","","0.1194","0.1224","","","","","","1.158","","","","has coordinates","259291","2020-11-29","02:29:28",""
"7241464","4.8398","0.0005","5.8172","0.0006","28.1649","0.0017","90.457","0.006","91.51","0.006","95.03","0.007","789.59","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H14 As0.5 F3 N2 S12 -","- C26 H14 As0.5 F3 N2 S12 -","- C26 H14 As0.5 F3 N2 S12 -","1","0.5","","Santos, Isabel C.; Gama, Vasco; Rabaça, Sandra; Veiros, Luís F.; Nogueira, Fernando; Paixão, José A.; Almeida, Manuel","Structural diversity in conducting bilayer salts (CNB-EDT-TTF)4A","CrystEngComm","2020","","","","","10.1039/D0CE01433H","","","0.71073","MoKα","","0.1878","0.0934","","","0.2207","0.2497","","","","","","1.044","","","","has coordinates","259291","2020-11-29","02:29:29",""
"7241477","8.0113","0.0003","9.6951","0.0003","13.9342","0.0004","90","","106.624","0.0013","90","","1037.04","0.06","138","2","138","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O S -","- C10 H13 N O S -","- C40 H52 N4 O4 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0645","0.0453","","","0.0975","0.1085","","","","","","1.054","","","","has coordinates","259294","2020-11-29","02:34:17",""
"7241478","6.358","0.002","7.684","0.003","11.573","0.004","91.215","0.013","104.219","0.011","94.232","0.012","546.1","0.3","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H6 F5 N O S -","- C9 H6 F5 N O S -","- C18 H12 F10 N2 O2 S2 -","2","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.093","0.0594","","","0.1431","0.1678","","","","","","1.044","","","","has coordinates","259294","2020-11-29","02:34:18",""
"7241479","7.0984","0.0002","21.9932","0.0006","6.5396","0.0002","90","","90","","90","","1020.94","0.05","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H10 N2 O3 S -","- C9 H10 N2 O3 S -","- C36 H40 N8 O12 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0377","0.0321","","","0.0752","0.0791","","","","","","1.05","","","","has coordinates","259294","2020-11-29","02:34:18",""
"7241480","37.1149","0.0009","5.5443","0.0001","12.8872","0.0003","90","","95.9708","0.001","90","","2637.49","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H17 N O4 S -","- C12 H17 N O4 S -","- C96 H136 N8 O32 S8 -","8","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0409","0.0346","","","0.0904","0.095","","","","","","1.043","","","","has coordinates","259294","2020-11-29","02:34:19",""
"7241481","8.7175","0.0004","9.9546","0.0004","12.4668","0.0005","90","","99.0234","0.0016","90","","1068.47","0.08","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N O2 S -","- C10 H13 N O2 S -","- C40 H52 N4 O8 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.061","0.042","","","0.0977","0.1094","","","","","","1.032","","","","has coordinates","259294","2020-11-29","02:34:19",""
"7241482","8.1419","0.0002","9.5362","0.0003","13.6861","0.0004","90","","105.417","0.001","90","","1024.39","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cl N O S -","- C9 H10 Cl N O S -","- C36 H40 Cl4 N4 O4 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0569","0.0382","","","0.0782","0.0878","","","","","","1.029","","","","has coordinates","259294","2020-11-29","02:34:19",""
"7241483","10.683","0.005","15.115","0.007","8.801","0.004","90","","90","","90","","1421.1","1.1","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H9 F6 N O S -","- C11 H9 F6 N O S -","- C44 H36 F24 N4 O4 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0785","0.0376","","","0.079","0.0987","","","","","","1.047","","","","has coordinates,has disorder","259294","2020-11-29","02:34:19",""
"7241484","7.32","0.0003","11.5744","0.0005","13.5992","0.0005","80.8887","0.0015","80.9328","0.0014","80.5041","0.0017","1111.79","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 N O S -","- C11 H15 N O S -","- C44 H60 N4 O4 S4 -","4","2","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0866","0.0513","","","0.1032","0.1189","","","","","","1.03","","","","has coordinates","259294","2020-11-29","02:34:19",""
"7241485","8.4215","0.0003","14.1614","0.0007","8.8819","0.0004","90","","108.134","0.002","90","","1006.65","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 O S -","- C10 H10 N2 O S -","- C40 H40 N8 O4 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0784","0.0549","","","0.1328","0.1504","","","","","","1.04","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241486","34.119","0.0014","5.5552","0.0003","32.3777","0.0013","90","","90","","90","","6136.8","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H15 N O S -","- C19 H15 N O S -","- C304 H240 N16 O16 S16 -","16","4","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.1389","0.0721","","","0.1548","0.185","","","","","","1.031","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241487","11.9751","0.001","5.8514","0.0005","8.4304","0.0006","90","","103.293","0.003","90","","574.9","0.08","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H13 N O S -","- C13 H13 N O S -","- C26 H26 N2 O2 S2 -","2","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.1215","0.0936","","","0.2256","0.2591","","","","","","1.016","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241488","7.3327","0.0006","10.8014","0.0009","12.9437","0.0011","88.123","0.003","86.737","0.003","76.071","0.003","993.23","0.14","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H10 F N O S -","- C9 H10 F N O S -","- C36 H40 F4 N4 O4 S4 -","4","2","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0733","0.0506","","","0.1251","0.1416","","","","","","1.036","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241489","17.044","0.002","5.763","0.0007","18.072","0.002","90","","117.231","0.004","90","","1578.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O S -","- C19 H17 N O S -","- C76 H68 N4 O4 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.1248","0.0903","","","0.2083","0.2399","","","","","","1.016","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241490","7.2726","0.0002","7.4019","0.0002","19.9994","0.0004","90","","97.972","0.001","90","","1066.18","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl2 N O S -","- C9 H9 Cl2 N O S -","- C36 H36 Cl8 N4 O4 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0426","0.0321","","","0.074","0.0802","","","","","","1.061","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241496","7.1053","0.0002","7.9388","0.0003","18.2289","0.0006","90","","96.723","0.001","90","","1021.18","0.06","240","2","240.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 F N5 O3 -","- C20 H26 F N5 O3 -","- C40 H52 F2 N10 O6 -","2","1","","Xu, Kailin; Qian, Menglin; Leng, Jiewu; Bai, Jie; Li, Qinglan; Liu, Zihong; Zhong, Shijuan; Zhao, Suqing","Direct salinization of trelagliptin from solid forms by mechanochemistry and its mechanism of salt formation","CrystEngComm","2020","","","","","10.1039/D0CE00984A","","","1.54184","CuKα","","0.0363","0.034","","","0.0879","0.0908","","","","","","1.044","","","","has coordinates","259297","2020-11-29","02:37:20",""
"7241497","6.9625","0.0002","7.9457","0.0002","17.9395","0.0005","90","","94.339","0.001","90","","989.6","0.05","241","2","240.83","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 F N5 O3 -","- C19 H24 F N5 O3 -","- C38 H48 F2 N10 O6 -","2","1","","Xu, Kailin; Qian, Menglin; Leng, Jiewu; Bai, Jie; Li, Qinglan; Liu, Zihong; Zhong, Shijuan; Zhao, Suqing","Direct salinization of trelagliptin from solid forms by mechanochemistry and its mechanism of salt formation","CrystEngComm","2020","","","","","10.1039/D0CE00984A","","","1.54178","CuKα","","0.0302","0.0293","","","0.0736","0.0746","","","","","","1.044","","","","has coordinates","259297","2020-11-29","02:37:21",""
"7241498","7.1057","0.0002","7.8894","0.0002","15.5407","0.0004","90","","97.325","0.001","90","","864.1","0.04","240","2","240","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 F N5 O2 -","- C18 H20 F N5 O2 -","- C36 H40 F2 N10 O4 -","2","1","","Xu, Kailin; Qian, Menglin; Leng, Jiewu; Bai, Jie; Li, Qinglan; Liu, Zihong; Zhong, Shijuan; Zhao, Suqing","Direct salinization of trelagliptin from solid forms by mechanochemistry and its mechanism of salt formation","CrystEngComm","2020","","","","","10.1039/D0CE00984A","","","1.54178","CuKα","","0.0294","0.0292","","","0.0787","0.079","","","","","","0.915","","","","has coordinates","259297","2020-11-29","02:37:21",""
"7241506","9.516","0.005","11.674","0.005","11.894","0.005","112.366","0.005","112.21","0.005","96.653","0.005","1077.9","0.9","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Co0.5 Mo4 N4 O14 -","- C13 H10 Co0.5 Mo4 N4 O14 -","- C26 H20 Co Mo8 N8 O28 -","2","1","","Li, Lei; Wang, Xiang; Xu, Na; Chang, Zhihan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli","Four octamolybdate complexes constructed from a quinoline‒imidazole‒monoamide ligand: structures and electrochemical, photocatalytic and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE01239D","","x-ray","0.71069","MoKα","K-L~3~","0.0284","0.0219","","","0.0587","0.0634","","","","","","1.0545","","","","has coordinates","259301","2020-11-29","02:40:24",""
"7241507","9.4894","0.0008","11.5879","0.0009","11.8821","0.001","112.196","0.001","112.175","0.001","96.767","0.002","1067.36","0.15","298","2","298","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 Mo4 N4 Ni0.5 O14 -","- C13 H11 Mo4 N4 Ni0.5 O14 -","- C26 H22 Mo8 N8 Ni O28 -","2","1","","Li, Lei; Wang, Xiang; Xu, Na; Chang, Zhihan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli","Four octamolybdate complexes constructed from a quinoline‒imidazole‒monoamide ligand: structures and electrochemical, photocatalytic and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE01239D","","x-ray","0.71073","MoKα","K-L~3~","0.0288","0.0223","","","0.0601","0.0651","","","","","","1.0552","","","","has coordinates","259301","2020-11-29","02:40:25",""
"7241508","9.442","0.002","11.678","0.003","11.863","0.003","111.96","0.005","112.088","0.004","96.905","0.005","1071.1","0.5","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 Mo4 N4 O14 Zn0.5 -","- C13 H11 Mo4 N4 O14 Zn0.5 -","- C26 H22 Mo8 N8 O28 Zn -","2","1","","Li, Lei; Wang, Xiang; Xu, Na; Chang, Zhihan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli","Four octamolybdate complexes constructed from a quinoline‒imidazole‒monoamide ligand: structures and electrochemical, photocatalytic and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE01239D","","x-ray","0.71073","MoKα","K-L~3~","0.0787","0.0399","","","0.0633","0.0761","","","","","","1.0241","","","","has coordinates","259301","2020-11-29","02:40:26",""
"7241509","12.4178","0.0012","11.4533","0.0012","15.9736","0.0016","90","","102.774","0.002","90","","2215.6","0.4","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cu Mo4 N4 O15 -","- C13 H10 Cu Mo4 N4 O15 -","- C52 H40 Cu4 Mo16 N16 O60 -","4","1","","Li, Lei; Wang, Xiang; Xu, Na; Chang, Zhihan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli","Four octamolybdate complexes constructed from a quinoline‒imidazole‒monoamide ligand: structures and electrochemical, photocatalytic and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE01239D","","x-ray","0.71073","MoKα","K-L~3~","0.07","0.0396","","","0.0829","0.0951","","","","","","0.993","","","","has coordinates","259301","2020-11-29","02:40:26",""
"7241510","6.9299","0.0011","6.9584","0.001","15.946","0.002","99.753","0.005","96.384","0.005","98.812","0.005","741.41","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","5-Fluorouracil Caffeic Acid","5-Fluoropyrimidine-2,4(1H,3H)-dione 3-(3,4-dihydroxyphenyl)acrylic acid","","- C13 H15 F N2 O8 -","- C13 H15 F N2 O8 -","- C26 H30 F2 N4 O16 -","2","1","","Yu, Yue-Ming; Wang, Ling-Yang; Bu, Fan-Zhi; Wang, Lin-Lin; Li, Yan-Tuan; Wang, Cheng; Wu, Zhi-Yong","The supramolecular self-assembly of 5-fluorouracil and caffeic acid through cocrystallization strategy opens up a new way for the development of synergistic antitumor pharmaceutical cocrystal","CrystEngComm","2020","22","45","7992","8006","10.1039/D0CE01297A","","","0.71073","MoKα","","0.155","0.0688","","","0.1339","0.1582","","","","","","1.048","","","","has coordinates","259302","2020-11-29","02:40:59",""
"7241539","27.515","0.007","19.112","0.005","27.087","0.007","90","","102.745","0.003","90","","13893","6","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C76 H111 Ge12 N16 O84 Pr11 -","- C76 H72 Ge12 N16 O80 Pr11 -","- C304 H288 Ge48 N64 O320 Pr44 -","4","1","","Li, Leilei; Cai, Bin; Pang, Donghui; Du, Xinxin; Yin, Xingliang; Wang, Huaiwei; Yang, Jie; Li, Dacheng; Dou, Jianmin","Construction of high-nuclear 4p‒4f heterometallic {Ln11Ge12} cluster-organic frameworks with high-sensitivity luminescence sensing of Fe3+ in aqueous solution","CrystEngComm","2020","","","","","10.1039/D0CE01493A","","","0.71073","MoKα","","0.0715","0.0503","","","0.1263","0.1416","","","","","","1.007","","","","has coordinates","259309","2020-11-29","02:49:26",""
"7241540","27.547","0.005","19.086","0.004","27.056","0.005","90","","103.12","0.002","90","","13854","5","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C76 H111 Ge12 N16 Nd11 O84 -","- C76 H72 Ge12 N16 Nd11 O80 -","- C304 H288 Ge48 N64 Nd44 O320 -","4","1","","Li, Leilei; Cai, Bin; Pang, Donghui; Du, Xinxin; Yin, Xingliang; Wang, Huaiwei; Yang, Jie; Li, Dacheng; Dou, Jianmin","Construction of high-nuclear 4p‒4f heterometallic {Ln11Ge12} cluster-organic frameworks with high-sensitivity luminescence sensing of Fe3+ in aqueous solution","CrystEngComm","2020","","","","","10.1039/D0CE01493A","","","0.71073","MoKα","","0.1029","0.068","","","0.1691","0.1946","","","","","","0.999","","","","has coordinates","259309","2020-11-29","02:49:27",""
"7241551","8.4843","0.0006","12.6359","0.001","12.9071","0.001","118.091","0.002","92.772","0.003","90.816","0.003","1218.22","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 N4 O24 U3 -","- C38 H26 N4 O24 U3 -","- C38 H26 N4 O24 U3 -","1","0.5","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya; Sokolova, Marina; Fedoseev, Aleksander","Formation of uranyl phthalate coordination polymers with unusual 2D net topologies in the presence of organic cations","CrystEngComm","2020","","","","","10.1039/D0CE01323D","","","0.71073","MoKα","","0.0687","0.0406","","","0.0868","0.0975","","","","","","1.015","","","","has coordinates,has disorder","259311","2020-11-29","02:52:52",""
"7241552","10.1384","0.0003","11.2472","0.0003","14.7855","0.0005","86.445","0.002","70.913","0.001","83.187","0.002","1581.55","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 N2 O26 U4 -","- C40 H40 N2 O26 U4 -","- C40 H40 N2 O26 U4 -","1","0.5","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya; Sokolova, Marina; Fedoseev, Aleksander","Formation of uranyl phthalate coordination polymers with unusual 2D net topologies in the presence of organic cations","CrystEngComm","2020","","","","","10.1039/D0CE01323D","","","0.71073","MoKα","","0.0708","0.037","","","0.0714","0.0796","","","","","","1","","","","has coordinates","259311","2020-11-29","02:52:53",""
"7241553","10.7273","0.0017","13.272","0.0018","13.4848","0.0019","113.935","0.003","91.71","0.004","107.802","0.004","1644.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 N2 O26 U4 -","- C36 H28 N2 O26 U4 -","- C36 H28 N2 O26 U4 -","1","0.5","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya; Sokolova, Marina; Fedoseev, Aleksander","Formation of uranyl phthalate coordination polymers with unusual 2D net topologies in the presence of organic cations","CrystEngComm","2020","","","","","10.1039/D0CE01323D","","","0.71073","MoKα","","0.1104","0.0504","","","0.0905","0.1027","","","","","","1.014","","","","has coordinates,has disorder","259311","2020-11-29","02:52:54",""
"7241554","10.6805","0.0005","10.9041","0.0004","24.3091","0.001","79.476","0.001","82.372","0.001","63.21","0.001","2480.58","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H60 N8 O48 U7 -","- C80 H60 N8 O48 U7 -","- C80 H60 N8 O48 U7 -","1","0.5","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya; Sokolova, Marina; Fedoseev, Aleksander","Formation of uranyl phthalate coordination polymers with unusual 2D net topologies in the presence of organic cations","CrystEngComm","2020","","","","","10.1039/D0CE01323D","","","0.71073","MoKα","","0.0773","0.043","","","0.0871","0.0977","","","","","","1.004","","","","has coordinates","259311","2020-11-29","02:52:54",""
"7241555","15.692","0.003","16.767","0.003","22.256","0.004","90","","96.41","0.009","90","","5819.1","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C128 H96 As4 O34 U4 -","- C128 H96 As4 O34 U4 -","- C256 H192 As8 O68 U8 -","2","0.5","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya; Sokolova, Marina; Fedoseev, Aleksander","Formation of uranyl phthalate coordination polymers with unusual 2D net topologies in the presence of organic cations","CrystEngComm","2020","","","","","10.1039/D0CE01323D","","","0.71073","MoKα","","0.0942","0.0468","","","0.0793","0.092","","","","","","0.991","","","","has coordinates","259311","2020-11-29","02:52:54",""
"7241567","13.2794","0.0009","18.7657","0.0013","22.0251","0.0013","90","","112.835","0.003","90","","5058.4","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H31 N7 Ni6 O45 P W9 -","- C8 N7 Ni6 O45 P W9 -","- C32 N28 Ni24 O180 P4 W36 -","4","1","","Sun, Jun-Jun; Wang, Yue-Lin; Yang, Guo-Yu","Two new hexa-Ni-substituted polyoxometalates in the form of an isolated cluster and 1-D chain: syntheses, structures, and properties","CrystEngComm","2020","","","","","10.1039/D0CE01446J","","","0.71073","MoKα","","0.0593","0.0463","","","0.1013","0.1055","","","","","","1.165","","","","has coordinates","259314","2020-11-29","02:56:22",""
"7241568","21.851","0.002","21.0544","0.0019","16.796","0.0015","90","","90","","90","","7727.2","1.2","293","2","293","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C72 H114 N20 Ni12 O78 P2 W18 -","- C72 N20 Ni12 O78 P2 W18 -","- C144 N40 Ni24 O156 P4 W36 -","2","0.25","","Sun, Jun-Jun; Wang, Yue-Lin; Yang, Guo-Yu","Two new hexa-Ni-substituted polyoxometalates in the form of an isolated cluster and 1-D chain: syntheses, structures, and properties","CrystEngComm","2020","","","","","10.1039/D0CE01446J","","","0.71073","MoKα","","0.0378","0.0317","","","0.0842","0.0876","","","","","","0.993","","","","has coordinates","259314","2020-11-29","02:56:22",""
"7241569","9.6037","0.0004","9.8432","0.0004","10.2613","0.0004","68.903","0.001","83.98","0.001","68.045","0.001","838.87","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","hexamethylenetetramine hydrogen succinate succinic acid","","","- C14 H24 N4 O8 -","- C14 H24 N4 O8 -","- C28 H48 N8 O16 -","2","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0377","0.0329","","","0.0839","0.0874","","","","","","1.066","","","","has coordinates","259315","2020-11-29","02:57:27",""
"7241570","3.6795","0.0007","9.855","0.002","10.425","0.002","116.097","0.002","97.436","0.002","97.188","0.002","329.52","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4,4-bipyridinium bis(hydrogen oxalate)","","","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","1","0.5","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0395","0.036","","","0.0957","0.0994","","","","","","1.05","","","","has coordinates","259315","2020-11-29","02:57:27",""
"7241571","9.6812","0.0002","9.8923","0.0002","10.3777","0.0003","70.346","0.001","83.328","0.001","67.442","0.001","864.26","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","hexamethylenetetramine hydrogen succinate succinic acid","","","- C14 H24 N4 O8 -","- C14 H24 N4 O8 -","- C28 H48 N8 O16 -","2","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0743","0.0526","","","0.1219","0.1384","","","","","","1.013","","","","has coordinates","259315","2020-11-29","02:57:27",""
"7241572","3.7614","0.0003","9.8932","0.0007","10.4498","0.0007","116.121","0.001","96.721","0.001","98.409","0.001","338.11","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","4,4-bipyridinium bis(hydrogen oxalate)","","","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","1","0.5","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0457","0.0409","","","0.1215","0.1264","","","","","","1.098","","","","has coordinates","259315","2020-11-29","02:57:27",""
"7241573","6.017","0.001","18.34","0.003","11.778","0.002","90","","99.387","0.003","90","","1282.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","hexamethylenetetramine succinic acid","","","- C10 H18 N4 O4 -","- C10 H18 N4 O4 -","- C40 H72 N16 O16 -","4","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0803","0.0695","","","0.1771","0.1862","","","","","","1.059","","","","has coordinates,has disorder","259315","2020-11-29","02:57:27",""
"7241574","21.847","0.001","6.9981","0.0004","26.359","0.002","90","","102.17","0.001","90","","3939.4","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis-hexamethylenetetramine succinic acid","","","- C16 H30 N8 O4 -","- C16 H30 N8 O4 -","- C128 H240 N64 O32 -","8","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.073","0.0532","","","0.1627","0.1802","","","","","","1.057","","","","has coordinates,has disorder","259315","2020-11-29","02:57:28",""
"7241575","5.8215","0.0008","18.363","0.002","11.592","0.002","90","","100.266","0.002","90","","1219.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","hexamethylenetetramine succinic acid","","","- C10 H18 N4 O4 -","- C10 H18 N4 O4 -","- C40 H72 N16 O16 -","4","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0425","0.0375","","","0.1009","0.1057","","","","","","1.045","","","","has coordinates,has disorder","259315","2020-11-29","02:57:28",""
"7241576","8.74","0.001","9.849","0.001","13.663","0.002","73.285","0.002","72.292","0.002","72.343","0.002","1042.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4,4-bipyridine oxalic acid","","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C48 H40 N8 O16 -","4","2","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0663","0.0605","","","0.1713","0.1795","","","","","","1.052","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7241577","8.7731","0.0005","9.8652","0.0005","13.9929","0.0007","73.741","0.002","72.89","0.002","72.483","0.002","1079.17","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","4,4-bipyridine oxalic acid","","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C48 H40 N8 O16 -","4","2","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.1641","0.0936","","","0.237","0.293","","","","","","1.018","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7241578","21.654","0.003","6.948","0.001","25.748","0.004","90","","101.148","0.002","90","","3800.7","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis-hexamethylenetetramine succinic acid","","","- C16 H30 N8 O4 -","- C16 H30 N8 O4 -","- C128 H240 N64 O32 -","8","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0491","0.0444","","","0.1225","0.1267","","","","","","1.067","","","","has coordinates,has disorder","259315","2020-11-29","02:57:28",""
"7241585","13.1882","0.0004","14.8316","0.0007","17.8325","0.0007","90.537","0.003","104.715","0.003","109.659","0.003","3159.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H43 Mo12 N8 O44 P -","- C36 H43 Mo12 N8 O44 P -","- C72 H86 Mo24 N16 O88 P2 -","2","1","","Ji, Ning-Ning; Shi, Zhi-Qiang; Xie, Xiao-Xin; Li, Gang","Polyoxometalate-based hydrogen-bonded organic frameworks as a new class of proton conducting materials","CrystEngComm","2020","","","","","10.1039/D0CE01578D","","x-ray","1.54184","CuKα","","0.0633","0.0485","","","0.1173","0.1296","","","","","","1.038","","","","has coordinates","259319","2020-11-29","03:00:29",""
"7241586","6.6967","0.0002","5.7405","0.0002","20.7844","0.0007","90","","94.953","0.003","90","","796.02","0.05","107","","107","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan","Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials","CrystEngComm","2020","22","45","7847","7857","10.1039/D0CE01403F","","","1.54178","CuKα","","0.0394","0.0331","","","0.0866","0.0906","","","","","","1.041","","","","has coordinates","259320","2020-11-29","03:01:06",""
"7241587","7.2043","0.0003","11.578","0.0004","11.3815","0.0004","90","","105.771","0.003","90","","913.61","0.06","107.24","","107.24","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","1","","Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan","Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials","CrystEngComm","2020","22","45","7847","7857","10.1039/D0CE01403F","","","1.54178","CuKα","","0.0564","0.0459","","","0.1251","0.1311","","","","","","1.116","","","","has coordinates","259320","2020-11-29","03:01:07",""
"7241588","5.3882","0.0001","8.4135","0.0002","14.8002","0.0004","77.6","0.002","80.086","0.002","88.273","0.002","645.49","0.03","100","0.13","100","0.13","","","","","","","","3","P -1","-P 1","2","CBDA10coEA","","","- C26 H32 O12 -","- C26 H32 O12 -","- C26 H32 O12 -","1","0.5","","Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan","Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials","CrystEngComm","2020","22","45","7847","7857","10.1039/D0CE01403F","","x-ray","1.54184","CuKα","","0.0383","0.0357","","","0.0954","0.0982","","","","","","1.091","","","","has coordinates","259320","2020-11-29","03:01:07",""
"7241589","8.841","0.003","10.807","0.003","9.978","0.003","90","","112.64","0.02","90","","879.9","0.5","107.02","","107.02","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","CBDE-10","","","- C20 H20 O8 -","- C20 H20 O8 -","- C40 H40 O16 -","2","0.5","","Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan","Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials","CrystEngComm","2020","22","45","7847","7857","10.1039/D0CE01403F","","","1.54178","CuKα","","0.1418","0.0919","","","0.2103","0.2311","","","","","","1.089","","","","has coordinates","259320","2020-11-29","03:01:07",""
"7241600","10.792","0.0004","18.8461","0.0008","13.1548","0.0005","90","","97.925","0.001","90","","2649.96","0.18","296","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N4 O7 Zn -","- C28 H22 N4 O7 Zn -","- C112 H88 N16 O28 Zn4 -","4","1","","Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan","Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions","CrystEngComm","2020","22","45","7952","7961","10.1039/D0CE01351J","","","0.71073","MoKα","","0.052","0.0342","","","0.0923","0.101","","","","","","1.021","","","","has coordinates","259325","2020-11-29","03:05:09",""
"7241601","29.2681","0.001","10.0831","0.0003","22.0305","0.0008","90","","129.908","0.001","90","","4987.1","0.3","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N4 O6 Zn -","- C28 H22 N4 O6 Zn -","- C224 H176 N32 O48 Zn8 -","8","1","","Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan","Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions","CrystEngComm","2020","22","45","7952","7961","10.1039/D0CE01351J","","","0.71073","MoKα","","0.0459","0.0343","","","0.093","0.1014","","","","","","1.005","","","","has coordinates","259325","2020-11-29","03:05:10",""
"7241602","7.482","0.0003","8.3416","0.0004","14.5588","0.0006","78.944","0.001","87.671","0.001","76.222","0.001","866.11","0.07","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Cd N2 O6 -","- C18 H15 Cd N2 O6 -","- C36 H30 Cd2 N4 O12 -","2","1","","Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan","Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions","CrystEngComm","2020","22","45","7952","7961","10.1039/D0CE01351J","","","0.71073","MoKα","","0.0213","0.0195","","","0.0507","0.0521","","","","","","1.025","","","","has coordinates","259325","2020-11-29","03:05:10",""
"7241603","9.6024","0.0008","11.8975","0.0011","13.2665","0.0012","113.334","0.002","103.141","0.002","102.592","0.002","1272.3","0.2","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N4 O7 Zn -","- C28 H23 N4 O7 Zn -","- C56 H46 N8 O14 Zn2 -","2","1","","Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan","Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions","CrystEngComm","2020","22","45","7952","7961","10.1039/D0CE01351J","","","0.71073","MoKα","","0.0689","0.0442","","","0.0939","0.1035","","","","","","1.006","","","","has coordinates","259325","2020-11-29","03:05:10",""
"7241624","10.7532","0.0004","22.6105","0.0009","13.3665","0.0006","90","","93.588","0.004","90","","3243.5","0.2","100","0.11","100","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H36 Cl N3 O6 -","- C33 H36 Cl N3 O6 -","- C132 H144 Cl4 N12 O24 -","4","2","","Cheng, Cheng; Li, Ying-Xian; Jia, Xue-Min; Zhang, Ji-Quan; Zhao, Yong-Long; Feng, Wei; Tang, Lei; Yang, Yuan-Yong","Enantioselective amination of 4-alkylisoquinoline-1,3(2H,4H)-dione derivatives","RSC Advances","2020","10","70","42912","42915","10.1039/D0RA07806A","","x-ray","1.54184","CuKα","","0.0785","0.075","","","0.2168","0.2191","","","","","","1.061","","","","has coordinates","259345","2020-11-30","04:58:26",""
"7241625","13.7938","0.0002","14.3012","0.0002","19.4614","0.0002","78.627","0.001","72.479","0.001","74.717","0.001","3502.43","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C82 H96 N6 O -","- C82 H96 N6 O -","- C164 H192 N12 O2 -","2","1","","Kinney, Zacharias J.; Rheingold, Arnold L.; Protasiewicz, John D.","Preferential N‒H⋯:C hydrogen bonding involving ditopic NH-containing systems and N-heterocyclic carbenes","RSC Advances","2020","10","69","42164","42171","10.1039/D0RA08490E","","x-ray","1.54178","CuKα","","0.0505","0.0453","","","0.1199","0.1249","","","","","","1.045","","","","has coordinates","259346","2020-11-30","04:59:06",""
"7241626","12.2815","0.0002","10.7523","0.0003","23.4308","0.0004","90","","94.34","0.001","90","","3085.27","0.11","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C72 H88 N6 -","- C72 H88 N6 -","- C144 H176 N12 -","2","0.5","","Kinney, Zacharias J.; Rheingold, Arnold L.; Protasiewicz, John D.","Preferential N‒H⋯:C hydrogen bonding involving ditopic NH-containing systems and N-heterocyclic carbenes","RSC Advances","2020","10","69","42164","42171","10.1039/D0RA08490E","","x-ray","1.54178","CuKα","","0.0599","0.0489","","","0.1226","0.1307","","","","","","1.025","","","","has coordinates,has disorder","259346","2020-11-30","04:59:06",""
"7241627","9.7054","0.0002","9.9914","0.0002","17.4974","0.0003","98.095","0.001","90.767","0.001","90.03","0.001","1679.67","0.06","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C96 H72 N8 -","4","4","","Kinney, Zacharias J.; Rheingold, Arnold L.; Protasiewicz, John D.","Preferential N‒H⋯:C hydrogen bonding involving ditopic NH-containing systems and N-heterocyclic carbenes","RSC Advances","2020","10","69","42164","42171","10.1039/D0RA08490E","","x-ray","1.54178","CuKα","","0.0472","0.0422","","","0.1124","0.1157","","","","","","1.054","","","","has coordinates","259346","2020-11-30","04:59:06",""
"7241628","14.469","0.0008","8.495","0.0005","16.6496","0.001","90","","103.033","0.002","90","","1993.8","0.2","100","2","100","2","","","","","","","Streptomyces sp. DASNCL29","3","P 1 21 1","P 2yb","4","","Nigericin","","- C40 H66 O11 -","- C40 H68 O11 -","- C80 H136 O22 -","2","1","","Sahu, Amit Kumar; Said, Madhukar S.; Hingamire, Tejashri; Gaur, Megha; Khan, Abujunaid; Shanmugam, Dhanasekaran; Barvkar, Vitthal T.; Dharne, Mahesh S.; Bharde, Atul A.; Dastager, Syed G.","Approach to nigericin derivatives and their therapeutic potential","RSC Advances","2020","10","70","43085","43091","10.1039/D0RA05137C","","","0.71073","MoKα","","0.0555","0.045","","","0.1019","0.1077","","","","","","1.046","","","","has coordinates","259347","2020-11-30","04:59:49",""
"7241629","12.0282","0.0003","14.464","0.0004","24.0974","0.0008","90","","90","","90","","4192.4","0.2","100","2","100","2","","","","","","","Streptomyces sp DASNCL29","3","P 21 21 21","P 2ac 2ab","19","","NIGERICIN","","- C40 H68 O11 -","- C40 H70 O12 -","- C160 H280 O48 -","4","1","","Sahu, Amit Kumar; Said, Madhukar S.; Hingamire, Tejashri; Gaur, Megha; Khan, Abujunaid; Shanmugam, Dhanasekaran; Barvkar, Vitthal T.; Dharne, Mahesh S.; Bharde, Atul A.; Dastager, Syed G.","Approach to nigericin derivatives and their therapeutic potential","RSC Advances","2020","10","70","43085","43091","10.1039/D0RA05137C","","","0.71073","MoKα","","0.0428","0.0416","","","0.1238","0.125","","","","","","1.197","","","","has coordinates","259347","2020-11-30","04:59:50",""
"7241630","9.46352","0.00014","12.66738","0.00018","12.98267","0.00014","116.784","0.0013","100.583","0.0012","98.7407","0.0012","1315.96","0.04","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H54 P4 Ru S2 -","- C64 H54 P4 Ru S2 -","- C64 H54 P4 Ru S2 -","1","0.5","","Kuhrt, Robert; Ho, Po-Yuen; Hantusch, Martin; Lissel, Franziska; Blacque, Olivier; Knupfer, Martin; Büchner, Bernd","Synthesis and charge transfer characteristics of a ruthenium‒acetylide complex","RSC Advances","2020","10","70","43242","43247","10.1039/D0RA08390A","","x-ray","1.54184","CuKα","","0.0254","0.025","","","0.0641","0.0643","","","","","","1.049","","","","has coordinates,has disorder","259348","2020-11-30","05:00:12",""
"7241631","9.7692","0.0018","6.5564","0.0012","19.064","0.004","90","","91.926","0.007","90","","1220.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cu2 N2 O10 -","- C22 H26 Cu2 N2 O10 -","- C44 H52 Cu4 N4 O20 -","2","0.5","","Su, Hao; Li, Zhongkui; Tan, Junrui; Ma, Hongwei; Yan, Li; Li, Hui","Structural conversion of three copper(ii) complexes with snapshot observations based on the different crystal colours and morphology","RSC Advances","2020","10","70","42964","42970","10.1039/D0RA07231A","","","0.71073","MoKα","","0.0632","0.0367","","","0.0768","0.0841","","","","","","1.081","","","","has coordinates","259349","2020-11-30","05:00:49",""
"7241632","9.735","0.002","8.646","0.002","13.038","0.003","90","","96.096","0.007","90","","1091.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cu2 N2 O10 -","- C20 H22 Cu2 N2 O10 -","- C40 H44 Cu4 N4 O20 -","2","0.5","","Su, Hao; Li, Zhongkui; Tan, Junrui; Ma, Hongwei; Yan, Li; Li, Hui","Structural conversion of three copper(ii) complexes with snapshot observations based on the different crystal colours and morphology","RSC Advances","2020","10","70","42964","42970","10.1039/D0RA07231A","","","0.71073","MoKα","","0.1399","0.0778","","","0.1955","0.2237","","","","","","1.038","","","","has coordinates","259349","2020-11-30","05:00:50",""
"7241633","7.4851","0.0004","13.4109","0.0007","21.5161","0.0011","90","","90","","90","","2159.8","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 Cu N O5 -","- C10 H11 Cu N O5 -","- C80 H88 Cu8 N8 O40 -","8","1","","Su, Hao; Li, Zhongkui; Tan, Junrui; Ma, Hongwei; Yan, Li; Li, Hui","Structural conversion of three copper(ii) complexes with snapshot observations based on the different crystal colours and morphology","RSC Advances","2020","10","70","42964","42970","10.1039/D0RA07231A","","","0.71073","MoKα","","0.0471","0.0385","","","0.1115","0.1167","","","","","","1.062","","","","has coordinates","259349","2020-11-30","05:00:50",""
"7241634","5.8738","0.0002","9.4468","0.0004","13.2892","0.0005","90","","90.263","0.003","90","","737.39","0.05","293","","293","","","","","","","","Synthetic","4","P 1 c 1","P -2yc","7","","","","- C19 H17 N O -","- C19 H17 N O -","- C38 H34 N2 O2 -","2","1","","Merchán-Arenas, Diego R.; Sojo, Felipe; Arvelo, Francisco; Kouznetsov, Vladimir V.","Synthesis of dihydroisoindolo[2,1-a]quinolin-11-ones, their in silico ADMET properties and in vitro antitumor activities","RSC Advances","2020","10","69","42287","42296","10.1039/D0RA04555A","","x-ray","1.54184","CuKα","","0.0526","0.0447","","","0.1158","0.123","","","","","","1.068","","","","has coordinates","259350","2020-11-30","05:01:19",""
"7241648","7.2328","0.0014","19.384","0.004","25.55","0.005","90","","90","","90","","3582.1","1.2","133.15","","133.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C45 H24 Cl N2 O3 Re -","- C45 H24 Cl N2 O3 Re -","- C180 H96 Cl4 N8 O12 Re4 -","4","0.5","","Qiu, Li-Qi; Chen, Kai-Hong; Yang, Zhi-Wen; He, Liang-Nian","A rhenium catalyst with bifunctional pyrene groups boosts natural light-driven CO2 reduction","Green Chemistry","2020","22","24","8614","8622","10.1039/D0GC03111A","","","0.71073","MoKα","","0.0573","0.0529","","","0.1233","0.1251","","","","","","1.244","","","","has coordinates","260797","2021-01-07","06:41:30",""
"7241650","9.5873","0.0006","12.2766","0.0008","12.9471","0.0008","90","","90","","90","","1523.87","0.17","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 F6 O P Ru -","- C14 H17 F6 O P Ru -","- C56 H68 F24 O4 P4 Ru4 -","4","1","","Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki","Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex.","Physical chemistry chemical physics : PCCP","2020","22","44","25803","25810","10.1039/d0cp04870d","","","0.71073","MoKα","","0.0145","0.0144","","","0.0364","0.0364","","","","","","1.147","","","","has coordinates","259567","2020-12-05","21:11:55",""
"7241651","9.59","0.002","22.809","0.005","9.636","0.002","90","","94.756","0.003","90","","2100.5","0.8","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H29 B11 O Ru -","- C15 H29 B11 O Ru -","- C60 H116 B44 O4 Ru4 -","4","1","","Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki","Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex.","Physical chemistry chemical physics : PCCP","2020","22","44","25803","25810","10.1039/d0cp04870d","","","0.71073","MoKα","","0.0852","0.0527","","","0.0963","0.1059","","","","","","1.102","","","","has coordinates,has disorder","259567","2020-12-05","21:11:56",""
"7241652","8.7042","0.001","10.1448","0.0012","12.0722","0.0014","99.046","0.001","95.893","0.001","96.477","0.001","1038.1","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H29 B11 O Ru -","- C15 H29 B11 O Ru -","- C30 H58 B22 O2 Ru2 -","2","1","","Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki","Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex.","Physical chemistry chemical physics : PCCP","2020","22","44","25803","25810","10.1039/d0cp04870d","","","0.71073","MoKα","","0.0203","0.0201","","","0.0532","0.0533","","","","","","1.089","","","","has coordinates","259567","2020-12-05","21:11:56",""
"7241653","10.8316","0.0006","13.2433","0.0008","14.1413","0.0009","65.148","0.003","89.961","0.003","71.017","0.003","1718.55","0.19","99.99","","99.99","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H36 N2 Ni O4 P2 S4 -","- C32 H36 N2 Ni O4 P2 S4 -","- C64 H72 N4 Ni2 O8 P4 S8 -","2","1","","Yusuf, Tunde L.; Quadri, Taiwo W.; Tolufashe, Gideon F.; Olasunkanmi, Lukman O.; Ebenso, Eno E.; van Zyl, Werner E.","Synthesis and structures of divalent Co, Ni, Zn and Cd complexes of mixed dichalcogen and dipnictogen ligands with corrosion inhibition properties: experimental and computational studies","RSC Advances","2020","10","69","41967","41982","10.1039/D0RA07770D","","x-ray","0.71073","MoKα","","0.0611","0.0562","","","0.1379","0.1413","","","","","","1.112","","","","has coordinates","259575","2020-12-06","08:33:56",""
"7241654","10.8831","0.0002","12.4185","0.0002","14.1718","0.0003","91.535","0.001","97.539","0.001","109.807","0.001","1781.23","0.06","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H36 Co N2 O4 P2 S4 -","- C32 H36 Co N2 O4 P2 S4 -","- C64 H72 Co2 N4 O8 P4 S8 -","2","1","","Yusuf, Tunde L.; Quadri, Taiwo W.; Tolufashe, Gideon F.; Olasunkanmi, Lukman O.; Ebenso, Eno E.; van Zyl, Werner E.","Synthesis and structures of divalent Co, Ni, Zn and Cd complexes of mixed dichalcogen and dipnictogen ligands with corrosion inhibition properties: experimental and computational studies","RSC Advances","2020","10","69","41967","41982","10.1039/D0RA07770D","","x-ray","0.71073","MoKα","","0.0346","0.0268","","","0.0623","0.0666","","","","","","1.043","","","","has coordinates","259575","2020-12-06","08:33:57",""
"7241655","22.977","0.0004","10.7463","0.0002","15.6178","0.0003","90","","113.004","0.001","90","","3549.65","0.12","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 Co N2 O4 P2 S4 -","- C32 H36 Co N2 O4 P2 S4 -","- C128 H144 Co4 N8 O16 P8 S16 -","4","0.5","","Yusuf, Tunde L.; Quadri, Taiwo W.; Tolufashe, Gideon F.; Olasunkanmi, Lukman O.; Ebenso, Eno E.; van Zyl, Werner E.","Synthesis and structures of divalent Co, Ni, Zn and Cd complexes of mixed dichalcogen and dipnictogen ligands with corrosion inhibition properties: experimental and computational studies","RSC Advances","2020","10","69","41967","41982","10.1039/D0RA07770D","","x-ray","0.71073","MoKα","","0.0247","0.0226","","","0.0614","0.0629","","","","","","1.05","","","","has coordinates","259575","2020-12-06","08:33:57",""
"7241656","49.6546","0.001","11.0919","0.0002","34.707","0.0007","90","","112.976","0.001","90","","17598.9","0.6","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 Cd N2 O4 P2 S4 -","- C32 H36 Cd N2 O4 P2 S4 -","- C640 H720 Cd20 N40 O80 P40 S80 -","20","2.5","","Yusuf, Tunde L.; Quadri, Taiwo W.; Tolufashe, Gideon F.; Olasunkanmi, Lukman O.; Ebenso, Eno E.; van Zyl, Werner E.","Synthesis and structures of divalent Co, Ni, Zn and Cd complexes of mixed dichalcogen and dipnictogen ligands with corrosion inhibition properties: experimental and computational studies","RSC Advances","2020","10","69","41967","41982","10.1039/D0RA07770D","","x-ray","0.71073","MoKα","","0.0525","0.0417","","","0.0891","0.0931","","","","","","1.189","","","","has coordinates","259575","2020-12-06","08:33:57",""
"7241657","10.0298","0.0001","12.6887","0.0002","14.1918","0.0002","87.038","0.001","78.878","0.001","73.535","0.001","1699.52","0.04","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C31.72 H35.16 N2 O4 P2 S4 Zn -","- C31.72 H35.16 N2 O4 P2 S4 Zn -","- C63.44 H70.32 N4 O8 P4 S8 Zn2 -","2","1","","Yusuf, Tunde L.; Quadri, Taiwo W.; Tolufashe, Gideon F.; Olasunkanmi, Lukman O.; Ebenso, Eno E.; van Zyl, Werner E.","Synthesis and structures of divalent Co, Ni, Zn and Cd complexes of mixed dichalcogen and dipnictogen ligands with corrosion inhibition properties: experimental and computational studies","RSC Advances","2020","10","69","41967","41982","10.1039/D0RA07770D","","x-ray","0.71073","MoKα","","0.0307","0.0282","","","0.0764","0.0785","","","","","","1.0372","","","","has coordinates,has disorder","259575","2020-12-06","08:33:57",""
"7241658","13.5359","0.0014","5.1353","0.0006","13.931","0.002","90","","103.691","0.005","90","","940.8","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","EG607_200K","","","- C22 H24 N4 O2 -","- C22 H24 N4 O2 -","- C44 H48 N8 O4 -","2","1","","de Miguel, Gustavo; Garzón-Ruiz, Andrés; Navarro, Amparo; García-Frutos, Eva M.","Synthesis and photophysical studies of an indigo derivative: N-octyl-7,7′-diazaindigo","RSC Advances","2020","10","69","42014","42020","10.1039/D0RA06451C","","","0.71073","MoKα","","0.1391","0.064","","","0.1181","0.164","","","","","","1.041","","","","has coordinates","259576","2020-12-06","08:34:39",""
"7241659","10.1667","0.0012","12.3453","0.0013","12.6574","0.0015","62.592","0.004","68.79","0.005","68.138","0.004","1273.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H30 Cl2 Cu N6 O11 -","- C15 H30 Cl2 Cu N6 O11 -","- C30 H60 Cl4 Cu2 N12 O22 -","2","1","","Muddassir, Mohd.; Alarifi, Abdullah; Afzal, Mohd; Alshali, Khulud Abdullah; Abduh, Naaser A. Y.; Beagan, Abeer","A fluorescent Cu(ii) complex as a dual functional sensor for selective and sensitive detection of acetone and Cd(ii) pollutants","RSC Advances","2020","10","69","42137","42146","10.1039/D0RA08073J","","","0.71073","MoKα","","0.0925","0.0503","","","0.0907","0.1041","","","","","","1.047","","","","has coordinates","259577","2020-12-06","08:35:04",""
"7241660","29.8768","0.0016","29.8768","0.0016","74.341","0.003","90","","90","","120","","57468","5","150","0.1","150","0.1","","","","","","","","6","R -3 :H","-R 3","148","Pd6L12","","","- C74 H84 Au2 I2 N8 Pd -","- C74 H84 Au2 I2 N8 Pd -","- C1332 H1512 Au36 I36 N144 Pd18 -","18","1","","Zeng, Lihua; Sun, Shujian; Wei, Zhang-Wen; Xin, Yu; Liu, Liping; Zhang, Jianyong","Confinement of a Au‒N-heterocyclic carbene in a Pd6L12 metal‒organic cage","RSC Advances","2020","10","64","39323","39327","10.1039/D0RA07509D","","x-ray","1.54184","CuKα","","0.1033","0.0888","","","0.2668","0.2821","","","","","","1.059","","","","has coordinates,has disorder","259578","2020-12-06","08:35:36",""
"7241661","11.8959","0.0004","11.5231","0.0004","10.6044","0.0004","90","","102.613","0.004","90","","1418.55","0.09","112.05","0.1","112.05","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O2 S -","- C16 H14 N2 O2 S -","- C64 H56 N8 O8 S4 -","4","1","","Shang, Hai; Li, Ling-Yu; Tian, Yu; Jia, Hong-Mei; Zou, Zhong-Mei","A facile metal-free one-pot synthesis of 3-aminoisoquinolines by intramolecular transannulation of 1-sulfonyl-4-(2-aminomethylphenyl)-1,2,3-triazoles","RSC Advances","2020","10","64","39067","39071","10.1039/D0RA06563C","","x-ray","0.71073","MoKα","","0.0494","0.0399","","","0.0934","0.1001","","","","","","1.047","","","","has coordinates","259579","2020-12-06","08:35:58",""
"7241662","17.2172","0.0004","10.339","0.0003","22.6719","0.0005","90","","101.889","0.002","90","","3949.22","0.17","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C48 H52 O P2 -","- C48 H52 O P2 -","- C192 H208 O4 P8 -","4","1","","Ganushevich, Yulia; Zagidullin, Almaz; Kondrashova, Svetlana; Latypov, Shamil; Miluykov, Vasili; Lönnecke, Peter; Hey-Hawkins, Evamarie","Asymmetric 1,3-dipolar cycloaddition reaction of chiral 1-alkyl-1,2-diphospholes with diphenyldiazomethane","RSC Advances","2020","10","64","39060","39066","10.1039/D0RA08080B","","","0.71073","MoKα","","0.0745","0.0524","","","0.1224","0.1356","","","","","","1.006","","","","has coordinates,has disorder","259580","2020-12-06","08:36:20",""
"7241663","28.349","0.011","9.848","0.003","19.498","0.007","90","","124.168","0.005","90","","4504","3","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 N3 O12 -","- C21 H21 N3 O12 -","- C168 H168 N24 O96 -","8","1","","Awatani, Ayano; Suzuki, Masaaki","Circular linkage of intramolecular multi-hydrogen bonding frameworks through nucleophilic substitutions of β-dicarbonyls onto cyanuric chloride and subsequent tautomerisation","RSC Advances","2020","10","64","39033","39036","10.1039/D0RA07677E","","","1.54187","CuKα","","0.0781","0.0502","","","0.119","0.1301","","","","","","1.009","","","","has coordinates","259581","2020-12-06","08:37:36",""
"7241664","13.202","0.007","13.202","0.007","6.454","0.004","90","","90","","120","","974.2","0.9","93","2","93","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C3.67 H4.17 N0.5 O1.17 -","- C3.6667 H4.1668 N0.5 O1.1667 -","- C44.0004 H50.0016 N6 O14.0004 -","12","1","","Awatani, Ayano; Suzuki, Masaaki","Circular linkage of intramolecular multi-hydrogen bonding frameworks through nucleophilic substitutions of β-dicarbonyls onto cyanuric chloride and subsequent tautomerisation","RSC Advances","2020","10","64","39033","39036","10.1039/D0RA07677E","","","1.54187","CuKα","","0.0564","0.0502","","","0.1146","0.1171","","","","","","1.013","","","","has coordinates,has disorder","259581","2020-12-06","08:37:36",""
"7241665","11.271","0.0011","11.3037","0.0002","12.5205","0.0008","73.166","0.014","87.132","0.018","65.188","0.016","1381.2","0.3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H35 Cl2 N3 O6 -","- C28 H35 Cl2 N3 O6 -","- C56 H70 Cl4 N6 O12 -","2","1","","Awatani, Ayano; Suzuki, Masaaki","Circular linkage of intramolecular multi-hydrogen bonding frameworks through nucleophilic substitutions of β-dicarbonyls onto cyanuric chloride and subsequent tautomerisation","RSC Advances","2020","10","64","39033","39036","10.1039/D0RA07677E","","","1.54187","CuKα","","0.0553","0.053","","","0.1671","0.1694","","","","","","1.097","","","","has coordinates","259581","2020-12-06","08:37:37",""
"7241666","17.963","0.002","7.3777","0.0008","20.201","0.002","90","","105.543","0.003","90","","2579.2","0.5","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 N3 O6 -","- C27 H33 N3 O6 -","- C108 H132 N12 O24 -","4","1","","Awatani, Ayano; Suzuki, Masaaki","Circular linkage of intramolecular multi-hydrogen bonding frameworks through nucleophilic substitutions of β-dicarbonyls onto cyanuric chloride and subsequent tautomerisation","RSC Advances","2020","10","64","39033","39036","10.1039/D0RA07677E","","","1.54187","CuKα","","0.0573","0.0375","","","0.0752","0.0782","","","","","","1.002","","","","has coordinates","259581","2020-12-06","08:37:37",""
"7241667","19.0132","0.001","3.943","0.0002","23.6198","0.0012","90","","108.101","0.002","90","","1683.12","0.15","130","2","130","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","1,3,5-Triethynylbenzene","","- C12 H6 -","- C12 H6 -","- C96 H48 -","8","1","","Abdi, Gisya; Filip, Anna; Krajewski, Michał; Kazimierczuk, Krzysztof; Strawski, Marcin; Szarek, Paweł; Hamankiewicz, Bartosz; Mazej, Zoran; Cichowicz, Grzegorz; Leszczyński, Piotr J.; Fijałkowski, Karol J.; Szczurek, Andrzej","Toward the synthesis, fluorination and application of N‒graphyne","RSC Advances","2020","10","66","40019","40029","10.1039/D0RA08143D","","","0.71073","MoKα","","0.0479","0.0335","","","0.0815","0.0901","","","","","","1.039","","","","has coordinates","259582","2020-12-06","08:38:28",""
"7241668","10.768","0.004","11.89","0.004","16.12","0.006","104.401","0.005","98.576","0.006","108.158","0.005","1841","1.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","Ru(II)","C30 H28 N8 Ru2(F6P)","","- C30 H28 F12 N8 O0 P2 Ru -","- C30 H28 F12 N8 P2 Ru -","- C60 H56 F24 N16 P4 Ru2 -","2","1","","Muddassir, Mohd.","Blue light-induced low mechanical stability of ruthenium-based coordination bonds: an AFM-based single-molecule force spectroscopy study","RSC Advances","2020","10","66","40543","40551","10.1039/D0RA07274E","","","0.71073","MoKα","","0.1834","0.1384","","","0.3396","0.3835","","","","","","1.234","","","","has coordinates","259583","2020-12-06","08:38:52",""
"7241669","10.005","0.004","12.857","0.005","22.495","0.009","98.332","0.005","97.908","0.005","104.389","0.006","2727.4","1.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C97.12 H32.31 N2 O0.59 -","- C97.124 H32.31 N2 O0.593 -","- C194.248 H64.62 N4 O1.186 -","2","1","","Hashikawa, Yoshifumi; Kizaki, Kazuro; Hirose, Takashi; Murata, Yasujiro","An orifice design: water insertion into C60","RSC Advances","2020","10","66","40406","40410","10.1039/D0RA09067K","","","0.71073","MoKα","","0.072","0.0532","","","0.1399","0.1554","","","","","","1.028","","","","has coordinates,has disorder","259584","2020-12-06","08:39:21",""
"7241670","9.591","0.0002","9.316","0.0002","15.982","0.0003","90","","97.514","0.001","90","","1415.73","0.05","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N7 -","- C14 H13 N7 -","- C56 H52 N28 -","4","1","","Ciou, Ji-Ming; Zhu, Hong-Feng; Chang, Chia-Wen; Chen, Jing-Yun; Lin, Ya-Fan","Physical organic studies and dynamic covalent chemistry of picolyl heterocyclic amino aminals","RSC Advances","2020","10","66","40421","40427","10.1039/D0RA08527H","","","0.71073","MoKα","","0.096","0.0497","","0.1565","0.1254","","","","1.034","1.105","1.105","","","","","has coordinates","259585","2020-12-06","08:40:07",""
"7241671","16.876","0.0003","8.689","0.0001","19.621","0.0004","90","","90","","90","","2877.14","0.08","295","2","295","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C16 H16 N5 -","- C16 H16 N5 -","- C128 H128 N40 -","8","1","","Ciou, Ji-Ming; Zhu, Hong-Feng; Chang, Chia-Wen; Chen, Jing-Yun; Lin, Ya-Fan","Physical organic studies and dynamic covalent chemistry of picolyl heterocyclic amino aminals","RSC Advances","2020","10","66","40421","40427","10.1039/D0RA08527H","","","0.71073","MoKα","","0.089","0.0578","","0.1778","0.1471","","","","1.112","1.129","1.129","","","","","has coordinates","259585","2020-12-06","08:40:07",""
"7241672","16.8629","0.0017","7.7228","0.0007","14.8431","0.0014","90","","104.655","0.003","90","","1870.1","0.3","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N4 -","- C10 H10 N4 -","- C80 H80 N32 -","8","1","","Ciou, Ji-Ming; Zhu, Hong-Feng; Chang, Chia-Wen; Chen, Jing-Yun; Lin, Ya-Fan","Physical organic studies and dynamic covalent chemistry of picolyl heterocyclic amino aminals","RSC Advances","2020","10","66","40421","40427","10.1039/D0RA08527H","","","0.71073","MoKα","","0.0422","0.0352","","","0.0844","0.0901","","","","","","1.04","","","","has coordinates","259585","2020-12-06","08:40:07",""
"7241673","8.1377","0.0005","9.0021","0.0006","9.7827","0.0007","106.504","0.002","94.684","0.002","93.115","0.002","682.57","0.08","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Cl2 Cu N8 O10 -","- C20 H18 Cl2 Cu N8 O10 -","- C20 H18 Cl2 Cu N8 O10 -","1","0.5","","Ciou, Ji-Ming; Zhu, Hong-Feng; Chang, Chia-Wen; Chen, Jing-Yun; Lin, Ya-Fan","Physical organic studies and dynamic covalent chemistry of picolyl heterocyclic amino aminals","RSC Advances","2020","10","66","40421","40427","10.1039/D0RA08527H","","","0.71073","MoKα","","0.0449","0.0419","","","0.1054","0.1079","","","","","","1.081","","","","has coordinates","259585","2020-12-06","08:40:08",""
"7241674","7.2577","0.0003","17.3639","0.0008","13.362","0.0006","90","","95.789","0.002","90","","1675.32","0.13","136","2","136","2","","","","","","","plant Crepis sancta, family Asteraceae, collected Southern Jordan","3","P 1 21 1","P 2yb","4","chrysosplentin","","","- C19 H18 O8 -","- C19 H18 O8 -","- C76 H72 O32 -","4","2","","Ebada, Sherif S.; Al-Jawabri, Nariman A.; Youssef, Fadia S.; El-Kashef, Dina H.; Knedel, Tim-Oliver; Albohy, Amgad; Korinek, Michal; Hwang, Tsong-Long; Chen, Bing-Hung; Lin, Guan-Hua; Lin, Chia-Yi; Aldalaien, Sa'ed M.; Disi, Ahmad M.; Janiak, Christoph; Proksch, Peter","Anti-inflammatory, antiallergic and COVID-19 protease inhibitory activities of phytochemicals from the Jordanian hawksbeard: identification, structure‒activity relationships, molecular modeling and impact on its folk medicinal uses","RSC Advances","2020","10","62","38128","38141","10.1039/D0RA04876C","","","0.71073","MoKα","","0.0693","0.0475","","","0.0987","0.1112","","","","","","1.043","","","","has coordinates","259586","2020-12-06","08:40:38",""
"7241675","9.2977","0.0007","18.1902","0.001","23.3996","0.0017","90","","100.702","0.007","90","","3888.7","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Cl N2 O -","- C24 H21 Cl N2 O -","- C192 H168 Cl8 N16 O8 -","8","2","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect","RSC Advances","2020","10","62","38107","38113","10.1039/D0RA07137D","","x-ray","1.54184","CuKα","","0.1212","0.0897","","","0.2275","0.2553","","","","","","1.052","","","","has coordinates","259587","2020-12-06","08:41:45",""
"7241676","7.011","0.0001","9.8156","0.0001","17.0473","0.0002","90","","90","","90","","1173.15","0.02","160","0.1","160","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Cl N O2 -","- C11 H14 Cl N O2 -","- C44 H56 Cl4 N4 O8 -","4","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect","RSC Advances","2020","10","62","38107","38113","10.1039/D0RA07137D","","x-ray","1.54184","CuKα","","0.0693","0.0678","","","0.199","0.2025","","","","","","1.101","","","","has coordinates","259587","2020-12-06","08:41:46",""
"7241677","7.7267","0.0002","13.0423","0.0003","36.875","0.0009","90","","90","","90","","3716.04","0.16","140","1","140","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Cl N O4 S -","- C21 H16 Cl N O4 S -","- C168 H128 Cl8 N8 O32 S8 -","8","2","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect","RSC Advances","2020","10","62","38107","38113","10.1039/D0RA07137D","","x-ray","1.54184","CuKα","","0.0726","0.0649","","","0.1724","0.1832","","","","","","1.056","","","","has coordinates","259587","2020-12-06","08:41:46",""
"7241678","5.14553","0.00005","8.93108","0.00011","40.8075","0.0005","90","","90","","90","","1875.31","0.04","120","0.1","120","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Cl N2 O4 -","- C23 H17 Cl N2 O4 -","- C92 H68 Cl4 N8 O16 -","4","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect","RSC Advances","2020","10","62","38107","38113","10.1039/D0RA07137D","","x-ray","1.54184","CuKα","","0.0318","0.0317","","","0.0844","0.0845","","","","","","1.041","","","","has coordinates","259587","2020-12-06","08:41:48",""
"7241679","6.8571","0.0001","18.2247","0.0002","9.2749","0.0001","90","","109.383","0.002","90","","1093.38","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cl N O4 -","- C11 H10 Cl N O4 -","- C44 H40 Cl4 N4 O16 -","4","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect","RSC Advances","2020","10","62","38107","38113","10.1039/D0RA07137D","","x-ray","1.54184","CuKα","","0.0442","0.0414","","","0.1144","0.1164","","","","","","1.0242","","","","has coordinates","259587","2020-12-06","08:41:48",""
"7241680","11.7838","0.0001","7.8328","0.0001","23.338","0.0002","90","","103.889","0.001","90","","2091.12","0.04","160","0.1","160","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Cl N2 O5 -","- C24 H21 Cl N2 O5 -","- C96 H84 Cl4 N8 O20 -","4","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect","RSC Advances","2020","10","62","38107","38113","10.1039/D0RA07137D","","x-ray","1.54184","CuKα","","0.0888","0.0836","","","0.2264","0.2318","","","","","","1.0517","","","","has coordinates","259587","2020-12-06","08:41:48",""
"7241681","9.3493","0.0002","6.9787","0.0001","9.155","0.0002","90","","90","","90","","597.33","0.02","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","methyl ammonium methyl carbamate","methyl ammonium methyl carbamate","","- C3 H10 N2 O2 -","- C3 H10 N2 O2 -","- C12 H40 N8 O8 -","4","1","","Lee, Kyu Hyung; Kim, Sun Joo; Park, Hee Sun; Lim, Byung Wook; Lee, Byeongno; Park, Young Jun; Nam, Wonwoo; Hur, Nam Hwi","Stable carbamate pathway towards organic‒inorganic hybrid perovskites and aromatic imines","RSC Advances","2020","10","62","38055","38062","10.1039/D0RA07814J","","","0.71073","","","0.0243","0.0243","","","0.0588","0.0589","","","","","","1.19","","","","has coordinates","259588","2020-12-06","08:42:38",""
"7241682","7.4527","0.0002","18.3181","0.0004","11.3999","0.0002","90","","90.869","0.001","90","","1556.13","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-nitrobenzylidene methanamine","3-nitrobenzylidene methanamine","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C64 H64 N16 O16 -","8","2","","Lee, Kyu Hyung; Kim, Sun Joo; Park, Hee Sun; Lim, Byung Wook; Lee, Byeongno; Park, Young Jun; Nam, Wonwoo; Hur, Nam Hwi","Stable carbamate pathway towards organic‒inorganic hybrid perovskites and aromatic imines","RSC Advances","2020","10","62","38055","38062","10.1039/D0RA07814J","","","0.71073","","","0.0518","0.0379","","","0.0979","0.1055","","","","","","1.014","","","","has coordinates","259588","2020-12-06","08:42:39",""
"7241683","12.3238","0.0012","21.6586","0.0019","9.7902","0.0011","90","","111.208","0.003","90","","2436.2","0.4","300","2","300","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C22 H16 Cu N4 O5 -","- C22 H16 Cu N4 O5 -","- C88 H64 Cu4 N16 O20 -","4","1","","Li, Jingyang; He, Ying; Wang, Li; Li, Guanghua; Zou, Yongcun; Yan, Yan; Li, Dandan; Shi, Xinli; Song, Zhiguang; Shi, Xiaodong","Construction of fluorescence active MOFs with symmetrical and conformationally rigid N-2-aryl-triazole ligands","RSC Advances","2020","10","68","41921","41925","10.1039/D0RA09305J","","","0.71073","MoKα","","0.0749","0.0685","","","0.2026","0.2099","","","","","","1.035","","","","has coordinates","259589","2020-12-06","08:43:24",""
"7241684","34.01","0.002","9.0351","0.0005","38.6788","0.0018","90","","115.365","0.004","90","","10739.6","1.1","202","2","202","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C41 H28 Cd N7 O9 -","- C41 H28 Cd N7 O9 -","- C328 H224 Cd8 N56 O72 -","8","1","","Li, Jingyang; He, Ying; Wang, Li; Li, Guanghua; Zou, Yongcun; Yan, Yan; Li, Dandan; Shi, Xinli; Song, Zhiguang; Shi, Xiaodong","Construction of fluorescence active MOFs with symmetrical and conformationally rigid N-2-aryl-triazole ligands","RSC Advances","2020","10","68","41921","41925","10.1039/D0RA09305J","","","0.71073","MoKα","","0.0748","0.0656","","","0.1688","0.173","","","","","","1.101","","","","has coordinates","259589","2020-12-06","08:43:24",""
"7241685","16.418","0.002","6.5616","0.0009","17.993","0.002","90","","94.892","0.002","90","","1931.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N O -","- C11 H15 N O -","- C88 H120 N8 O8 -","8","2","","Zhang, Yuewei; Bao, Qingqing; Zhang, Ning; Wang, Shuohang; Yu, Xue","Stereocontrolled addition of Grignard reagents to oxa-bridged benzazepines: highly efficient synthesis of functionalized benzazepine scaffolds","RSC Advances","2020","10","68","41802","41806","10.1039/D0RA08758K","","","0.71073","MoKα","","0.1178","0.0505","","","0.1074","0.1383","","","","","","0.964","","","","has coordinates","259590","2020-12-06","08:43:49",""
"7241686","26.47","0.05","10.667","0.019","17.28","0.03","90","","125.389","0.018","90","","3978","12","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 Ga2 N6 O20 -","- C40 H28 Ga2 N6 O20 -","- C160 H112 Ga8 N24 O80 -","4","0.5","","Wu, Junbiao; Lou, Luqi; Han, Yide; Xu, Yan; Zhang, Xia; Wang, Zhuopeng","Ionothermal synthesis of a photochromic inorganic‒organic complex for colorimetric and portable UV index indication and UVB detection","RSC Advances","2020","10","68","41720","41726","10.1039/D0RA08300C","","","0.71073","MoKα","","0.1349","0.089","","","0.2226","0.2599","","","","","","1.085","","","","has coordinates","259591","2020-12-06","08:44:09",""
"7241687","12.834","0.009","18.991","0.01","8.136","0.006","90","","113.36","0.03","90","","1820","2","293","2","293","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C25 H22 -","- C25 H22 -","- C100 H88 -","4","1","","Arumugam, Selvakumar; Reddy, Pulikanti Guruprasad; Francis, Maria; Kulkarni, Aditya; Roy, Sudipta; Mondal, Kartik Chandra","Highly fluorescent aryl-cyclopentadienyl ligands and their tetra-nuclear mixed metallic potassium‒dysprosium clusters","RSC Advances","2020","10","65","39366","39372","10.1039/D0RA05316C","","","0.71076","MoKα","","0.1106","0.0786","","","0.1879","0.2075","","","","","","1.05","","","","has coordinates","259592","2020-12-06","08:45:00",""
"7241688","22.059","0.002","22.2927","0.0012","7.6696","0.0003","90","","90","","90","","3771.6","0.4","296","2","296","2","","","","","","","","2","I b a 2","I 2 -2c","45","","","","- C26 H24 -","- C26 H24 -","- C208 H192 -","8","1","","Arumugam, Selvakumar; Reddy, Pulikanti Guruprasad; Francis, Maria; Kulkarni, Aditya; Roy, Sudipta; Mondal, Kartik Chandra","Highly fluorescent aryl-cyclopentadienyl ligands and their tetra-nuclear mixed metallic potassium‒dysprosium clusters","RSC Advances","2020","10","65","39366","39372","10.1039/D0RA05316C","","","0.71073","MoKα","","0.0473","0.0386","","","0.0952","0.1011","","","","","","1.04","","","","has coordinates","259592","2020-12-06","08:45:01",""
"7241689","17.1088","0.0007","17.778","0.0008","20.6046","0.0009","69.756","0.002","79.617","0.002","62.673","0.002","5222","0.4","296","2","200","","","","","","","","","5","P -1","-P 1","2","","","","- C125 H116 Cl4 Dy2 K2 -","- C125 H116 Cl4 Dy2 K2 -","- C250 H232 Cl8 Dy4 K4 -","2","1","","Arumugam, Selvakumar; Reddy, Pulikanti Guruprasad; Francis, Maria; Kulkarni, Aditya; Roy, Sudipta; Mondal, Kartik Chandra","Highly fluorescent aryl-cyclopentadienyl ligands and their tetra-nuclear mixed metallic potassium‒dysprosium clusters","RSC Advances","2020","10","65","39366","39372","10.1039/D0RA05316C","","","0.71073","MoKα","","0.0633","0.0391","","","0.0839","0.0946","","","","","","1.019","","","","has coordinates","259592","2020-12-06","08:45:01",""
"7241690","15.0406","0.0005","18.9527","0.0006","21.4668","0.0008","65.202","0.001","78.557","0.002","67.699","0.001","5134","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C249 H224 Cl8 Dy4 K4 -","- C249 H224 Cl8 Dy4 K4 -","- C249 H224 Cl8 Dy4 K4 -","1","0.5","","Arumugam, Selvakumar; Reddy, Pulikanti Guruprasad; Francis, Maria; Kulkarni, Aditya; Roy, Sudipta; Mondal, Kartik Chandra","Highly fluorescent aryl-cyclopentadienyl ligands and their tetra-nuclear mixed metallic potassium‒dysprosium clusters","RSC Advances","2020","10","65","39366","39372","10.1039/D0RA05316C","","","0.71073","MoKα","","0.0386","0.028","","","0.0667","0.0763","","","","","","1.072","","","","has coordinates,has disorder","259592","2020-12-06","08:45:01",""
"7241691","13.2192","0.0007","10.713","0.0005","13.2447","0.0007","90","","112.909","0.002","90","","1727.73","0.15","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H36 Ag2 Cl2 N4 O8 -","- C34 H36 Ag2 Cl2 N4 O8 -","- C68 H72 Ag4 Cl4 N8 O16 -","2","1","","Cui, Minghui; Wang, Ai-Ling; Liu, Yingfan; Xiao, Hongping; Li, Fengcai; Zhou, Liming; Fang, Shaoming; Li, Xi-Li","A pair of 2D chiral Ag(i) enantiomers with dual chiral elements: syntheses, structures, and photoluminescent and chiroptical properties","RSC Advances","2020","10","65","39359","39365","10.1039/D0RA07237K","","","0.71073","MoKα","","0.0475","0.0333","","","0.0558","0.0584","","","","","","1.038","","","","has coordinates","259593","2020-12-06","08:45:33",""
"7241692","13.1734","0.0007","10.6736","0.0006","13.2327","0.0007","90","","112.887","0.002","90","","1714.14","0.16","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H36 Ag2 Cl2 N4 O8 -","- C34 H36 Ag2 Cl2 N4 O8 -","- C68 H72 Ag4 Cl4 N8 O16 -","2","1","","Cui, Minghui; Wang, Ai-Ling; Liu, Yingfan; Xiao, Hongping; Li, Fengcai; Zhou, Liming; Fang, Shaoming; Li, Xi-Li","A pair of 2D chiral Ag(i) enantiomers with dual chiral elements: syntheses, structures, and photoluminescent and chiroptical properties","RSC Advances","2020","10","65","39359","39365","10.1039/D0RA07237K","","","0.71073","MoKα","","0.0612","0.0373","","","0.053","0.057","","","","","","1.005","","","","has coordinates","259593","2020-12-06","08:45:33",""
"7241693","9.9847","0.0008","13.2497","0.001","14.3535","0.0011","81.6299","0.0012","73.8538","0.001","83.2186","0.0011","1798.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 N9 O18 Sm2 -","- C30 H27 N9 O18 Sm2 -","- C60 H54 N18 O36 Sm4 -","2","1","","Yuan, Fei; Yuan, Chunmei; Cao, Baoyue; Di, Youying; Wang, Shumin; Liu, Mingbao; Kumar, Abhinav; Shi, Chuncheng; Muddassir, Mohd.","Two Ln-based metal‒organic frameworks based on the 5-(1H-1,2,4-triazol-1-yl)-1,3-benzenedicarboxylic acid ligand: syntheses, structures, and photocatalytic properties","RSC Advances","2020","10","65","39771","39778","10.1039/D0RA07159E","","","0.71073","MoKα","","0.027","0.0234","","","0.0608","0.0628","","","","","","1.024","","","","has coordinates","259594","2020-12-06","08:46:01",""
"7241694","9.9419","0.0006","13.1775","0.0008","14.3215","0.0009","81.79","0.0009","74.0669","0.0009","83.0217","0.001","1778.99","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 N9 O18 Tb2 -","- C30 H27 N9 O18 Tb2 -","- C60 H54 N18 O36 Tb4 -","2","1","","Yuan, Fei; Yuan, Chunmei; Cao, Baoyue; Di, Youying; Wang, Shumin; Liu, Mingbao; Kumar, Abhinav; Shi, Chuncheng; Muddassir, Mohd.","Two Ln-based metal‒organic frameworks based on the 5-(1H-1,2,4-triazol-1-yl)-1,3-benzenedicarboxylic acid ligand: syntheses, structures, and photocatalytic properties","RSC Advances","2020","10","65","39771","39778","10.1039/D0RA07159E","","","0.71073","MoKα","","0.0286","0.026","","","0.0693","0.0708","","","","","","1.046","","","","has coordinates","259594","2020-12-06","08:46:01",""
"7241695","10.6437","0.0004","14.3165","0.001","16.2402","0.0011","96.269","0.006","104.683","0.005","96.637","0.005","2353","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H66 Mo N3 O4 -","- C49 H66 Mo N3 O4 -","- C98 H132 Mo2 N6 O8 -","2","1","","Nasibipour, Mina; Safaei, Elham; Wojtczak, Andrzej; Jagličić, Zvonko; Galindo, Agustín; Masoumpour, Marzieh Sadat","A biradical oxo-molybdenum complex containing semiquinone and o-aminophenol benzoxazole-based ligands","RSC Advances","2020","10","67","40853","40866","10.1039/D0RA06351G","","","0.71073","MoKα","","0.1407","0.0887","","","0.2086","0.2612","","","","","","1.039","","","","has coordinates,has disorder","259595","2020-12-06","08:46:41",""
"7241696","9.3905","0.0004","14.9547","0.0006","17.6271","0.0006","109.496","0.003","94.616","0.003","99.025","0.003","2281.02","0.16","180","","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 Br2 Cu2 N11 O15.5 -","- C38 H40 Br2 Cu2 N11 O15.5 -","- C76 H80 Br4 Cu4 N22 O31 -","2","1","","Peewasan, Krisana; Merkel, Marcel P.; Fuhr, Olaf; Anson, Christopher E.; Powell, Annie K.","A multifunctional use of bis(methylene)bis(5-bromo-2-hydroxyl salicyloylhydrazone): from metal sensing to ambient catalysis of A3 coupling reactions","RSC Advances","2020","10","67","40739","40744","10.1039/D0RA07687B","","x-ray","1.34143","GaKα","","0.0662","0.0426","","","0.1056","0.115","","","","","","1.039","","","","has coordinates,has disorder","259596","2020-12-06","08:47:01",""
"7241697","10.094","0.005","11.277","0.005","11.815","0.005","99.224","0.008","106.772","0.007","111.122","0.007","1147.4","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N4 O2 S2 -","- C22 H26 N4 O2 S2 -","- C44 H52 N8 O4 S4 -","2","1","","Liu, Hong-Yan; Chen, Yu; Hao, Li-Qiang; Wang, Guo-Dong; Li, Hong-Shuang; Xia, Cheng-Cai","The synthesis of N,N′-disulfanediyl-bis(N′-((E)-benzylidene)acetohydrazide) from (E)-N′-benzylideneacetohydrazide and S8","RSC Advances","2020","10","67","41041","41046","10.1039/D0RA08441G","","","0.71073","MoKα","","0.0592","0.0475","","","0.1304","0.1429","","","","","","1.022","","","","has coordinates","259597","2020-12-06","08:47:20",""
"7241698","10.598","0.005","13.049","0.005","14.218","0.005","90","0.005","93.964","0.005","90","0.005","1961.6","1.4","150","0.1","150","0.1","","","","","","","","5","P 1 n 1","P -2yac","7","tipyzdime","Pz2Ti2","","- C31 H64 N4 O7 Ti2 -","- C31 H64 N4 O7 Ti2 -","- C62 H128 N8 O14 Ti4 -","2","1","","Wang, Tzu-Fang; Kosuru, Someswara Rao; Yu, Shu-Chun; Chang, Yung-Chi; Lai, Hsin-Yu; Chang, Yu-Lun; Wu, Kuo-Hui; Ding, Shangwu; Chen, Hsuan-Ying","Use of pyrazoles as ligands greatly enhances the catalytic activity of titanium iso-propoxide for the ring-opening polymerization of l-lactide: a cooperation effect","RSC Advances","2020","10","67","40690","40696","10.1039/D0RA07824G","","","0.71073","MoKα","","0.0634","0.0481","","","0.1014","0.1093","","","","","","1.032","","","","has coordinates,has disorder","259598","2020-12-06","08:47:40",""
"7241699","16.2484","0.0001","11.3597","0.0001","8.2456","0.0001","90","","100.148","0.001","90","","1498.14","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Na O6 S -","- C13 H11 Na O6 S -","- C52 H44 Na4 O24 S4 -","4","1","","Zhang, Hui; Wang, Ming; Jiang, Xuefeng","Sustainable access to sulfonic acids from halides and thiourea dioxide with air","Green Chemistry","2020","22","23","8238","8242","10.1039/D0GC03135F","","x-ray","1.54184","CuKα","","0.0733","0.0725","","","0.1605","0.1609","","","","","","1.166","","","","has coordinates,has disorder","260798","2021-01-07","06:41:50",""
"7241700","16.8614","0.0016","19.0598","0.0014","8.8881","0.0006","90","","103.357","0.008","90","","2779.1","0.4","100","0.3","100","0.3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Cl2 N2 O5 -","- C32 H30 Cl2 N2 O5 -","- C128 H120 Cl8 N8 O20 -","4","0.5","","Zhang, Ming-Zhong; Liu, Long; Gou, Quan; Wang, Qi; Li, Yi; Li, Wan-Ting; Luo, Fei; Yuan, Min; Chen, Tieqiao; He, Wei-Min","Synthesis of hydroxyl-containing oxindoles and 3,4-dihydroquinolin-2-ones through oxone-mediated cascade arylhydroxylation of activated alkenes","Green Chemistry","2020","22","23","8369","8374","10.1039/D0GC02205E","","x-ray","0.71073","MoKα","","0.116","0.0873","","","0.2041","0.2387","","","","","","1.015","","","","has coordinates","260799","2021-01-07","06:41:56",""
"7241704","6.27149","0.0001","13.8374","0.0003","14.1502","0.0002","90","","90","","90","","1227.97","0.04","170","2","170","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-2-Isopropyl-1-tosylaziridine","","- C12 H17 N O2 S -","- C12 H17 N O2 S -","- C48 H68 N4 O8 S4 -","4","1","","Scholten, Kevin; Engelage, Elric; Merten, Christian","Basis set dependence of S[double bond, length as m-dash]O stretching frequencies and its consequences for IR and VCD spectra predictions.","Physical chemistry chemical physics : PCCP","2020","22","48","27979","27986","10.1039/d0cp05420h","","x-ray","1.54184","CuKα","","0.0325","0.0315","","","0.0833","0.084","","","","","","1.073","","","","has coordinates","260827","2021-01-07","07:12:42",""
"7241705","8.7562","0.0006","13.1732","0.001","12.6457","0.0007","90","","95.04","0.006","90","","1453.01","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl2 Fe N10 O2 -","- C26 H26 Cl2 Fe N10 O2 -","- C52 H52 Cl4 Fe2 N20 O4 -","2","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.1193","0.0657","","","0.1443","0.1551","","","","","","0.845","","","","has coordinates","259727","2020-12-10","03:27:12",""
"7241706","14.9231","0.0014","8.4115","0.0007","18.7857","0.0016","90","","108.571","0.009","90","","2235.3","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Fe I2 N8 O2 -","- C16 H16 Fe I2 N8 O2 -","- C64 H64 Fe4 I8 N32 O8 -","4","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.0533","0.0442","","","0.1115","0.1189","","","","","","1.036","","","","has coordinates","259727","2020-12-10","03:27:12",""
"7241707","8.8231","0.0004","11.0729","0.0003","13.2703","0.0007","90","","106.027","0.005","90","","1246.08","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Fe I2 N8 O2 -","- C18 H20 Fe I2 N8 O2 -","- C36 H40 Fe2 I4 N16 O4 -","2","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.047","0.0301","","","0.0637","0.0661","","","","","","0.872","","","","has coordinates","259727","2020-12-10","03:27:13",""
"7241708","8.3887","0.0004","9.639","0.0005","13.2734","0.0007","90","","99.11","0.005","90","","1059.73","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Fe I2 N8 -","- C16 H12 Fe I2 N8 -","- C32 H24 Fe2 I4 N16 -","2","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.0513","0.0392","","","0.0909","0.1001","","","","","","1.063","","","","has coordinates","259727","2020-12-10","03:27:13",""
"7241709","8.1771","0.0009","11.2544","0.0012","12.1692","0.0015","91.426","0.009","108.865","0.01","90.318","0.009","1059.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Cl4 Fe2 N16 O2 -","- C34 H32 Cl4 Fe2 N16 O2 -","- C34 H32 Cl4 Fe2 N16 O2 -","1","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.0674","0.0433","","","0.0742","0.0821","","","","","","1.02","","","","has coordinates","259727","2020-12-10","03:27:13",""
"7241710","14.7058","0.0015","8.3867","0.0006","18.3571","0.0018","90","","108.439","0.011","90","","2147.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Br2 Fe N8 O2 -","- C16 H16 Br2 Fe N8 O2 -","- C64 H64 Br8 Fe4 N32 O8 -","4","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.0405","0.0309","","","0.0723","0.0767","","","","","","1.075","","","","has coordinates","259727","2020-12-10","03:27:13",""
"7241711","19.931","0.002","12.6943","0.0014","30.341","0.003","90","","93.819","0.008","90","","7659.5","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H44 Br8 Fe3 N26 -","- C58 H43 Br8 Fe3 N26 -","- C232 H172 Br32 Fe12 N104 -","4","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.2114","0.1075","","","0.2808","0.3679","","","","","","1.018","","","","has coordinates","259727","2020-12-10","03:27:13",""
"7241736","7.8699","0.0002","36.0925","0.0007","11.3684","0.0003","90","","92.524","0.002","90","","3226","0.13","123","2","123.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Aminoazobenzene; 3-Amino-4-methylpyridine","","- C36 H38 N10 -","- C36 H38 N10 -","- C144 H152 N40 -","4","1","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","x-ray","0.71073","MoKα","","0.0548","0.0467","","","0.1196","0.1258","","","","","","1.021","","","","has coordinates,has disorder","259731","2020-12-10","03:35:48",""
"7241737","7.5794","0.0004","5.6975","0.0003","21.4258","0.0009","90","","97.914","0.004","90","","916.43","0.08","123","2","123.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Aminoazobenzene;4,4'-Bipyridine","","- C22 H19 N5 -","- C22 H19 N5 -","- C44 H38 N10 -","2","1","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","x-ray","0.71073","MoKα","","0.0537","0.0514","","","0.1487","0.1516","","","","","","1.054","","","","has coordinates","259731","2020-12-10","03:35:49",""
"7241738","7.73","0.0006","5.6677","0.0004","23.0411","0.0014","90","","91.233","0.006","90","","1009.23","0.12","123","2","123.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Aminoazobenzene;1,2-bis(4-pyridyl)ethane","","- C24 H23 N5 -","- C24 H23 N5 -","- C48 H46 N10 -","2","1","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","x-ray","0.71073","MoKα","","0.1033","0.0715","","","0.1964","0.2223","","","","","","1.041","","","","has coordinates,has disorder","259731","2020-12-10","03:35:49",""
"7241739","7.9177","0.0016","5.9154","0.0012","19.843","0.004","90","","90.84","0.03","90","","929.3","0.3","113","2","113.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Aminoazobenzene; 4-Pyrrolidinopyridine","","- C21 H23 N5 -","- C21 H23 N5 -","- C42 H46 N10 -","2","1","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","","0.71073","MoKα","","0.0647","0.0471","","","0.1059","0.116","","","","","","0.974","","","","has coordinates,has disorder","259731","2020-12-10","03:35:49",""
"7241740","25.715","0.005","5.9027","0.0012","31.344","0.006","90","","107.76","0.03","90","","4530.9","1.7","113","2","113.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-aminoazobenzene; 1-(1-naphthyl)-2-(4'-pyridyl)ethylene","","- C29 H24 N4 -","- C29 H23 N4 -","- C232 H184 N32 -","8","2","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","","0.71073","MoKα","","0.122","0.0776","","","0.1948","0.2262","","","","","","1.055","","","","has coordinates,has disorder","259731","2020-12-10","03:35:49",""
"7241742","9.7369","0.0003","9.7369","0.0003","76.074","0.002","90","","90","","90","","7212.4","0.4","220","1","220","1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C46 H37 Cd Cl I4 S32 -","- C46 H37 Cd Cl I4 S32 -","- C184 H148 Cd4 Cl4 I16 S128 -","4","0.25","","Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N.","Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling","CrystEngComm","2020","22","46","8054","8062","10.1039/D0CE01375G","","","0.7107","MoKα","","0.0743","0.0619","","","0.1144","0.1199","","","","","","1.178","","","","has coordinates,has disorder","259733","2020-12-10","03:37:08",""
"7241743","9.6448","0.0009","76.132","0.0012","9.7076","0.001","90","","90.2","","90","","7128","1","185","1","185.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C46 H37 Cd Cl I4 S32 -","- C46 H37 Cd0.999 Cl I3.996 S32 -","- C184 H148 Cd3.996 Cl4 I15.984 S128 -","4","0.5","","Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N.","Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling","CrystEngComm","2020","22","46","8054","8062","10.1039/D0CE01375G","","","0.7107","MoKα","","0.1493","0.1263","","","0.3201","0.3429","","","","","","1.119","","","","has coordinates,has disorder","259733","2020-12-10","03:37:08",""
"7241744","9.5531","0.0008","9.7052","0.0008","76.0688","0.001","89.884","0.004","89.917","0.004","89.798","0.007","7052.6","0.8","100","1","100","1","","","","","","","","6","I -1","-I 1","2","","","","- C46 H37 Cd Cl I4 S32 -","- C46 H37 Cd Cl I4 S32 -","- C184 H148 Cd4 Cl4 I16 S128 -","4","","","Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N.","Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling","CrystEngComm","2020","22","46","8054","8062","10.1039/D0CE01375G","","","0.7107","MoKα","","0.1281","0.1021","","","0.2609","0.2897","","","","","","1.026","","","","has coordinates,has disorder","259733","2020-12-10","03:37:08",""
"7241745","13.1254","0.0006","13.6595","0.0006","8.5225","0.0004","90","","90","","90","","1527.97","0.12","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H12 Cd N2 O2 S4 -","- C8 H12 Cd N2 O2 S4 -","- C32 H48 Cd4 N8 O8 S16 -","4","0.5","","Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio","On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems","CrystEngComm","2020","22","46","8023","8035","10.1039/D0CE01233E","","","1.54178","CuKα","","0.0331","0.0326","","","0.0757","0.0759","","","","","","1.244","","","","has coordinates,has disorder","259734","2020-12-10","03:37:59",""
"7241746","9.7864","0.0005","10.9611","0.0006","16.022","0.0008","90","","102.095","0.002","90","","1680.52","0.15","152","2","152","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cd N6 O S2 -","- C10 H22 Cd N6 O S2 -","- C40 H88 Cd4 N24 O4 S8 -","4","1","","Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio","On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems","CrystEngComm","2020","22","46","8023","8035","10.1039/D0CE01233E","","","1.54178","CuKα","","0.0209","0.0196","","","0.0452","0.0458","","","","","","1.035","","","","has coordinates,has disorder","259734","2020-12-10","03:37:59",""
"7241747","14.6814","0.0003","17.4409","0.0004","17.6486","0.0004","90","","90","","90","","4519.04","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H52 Cd3 N18 S6 -","- C28 H52 Cd3 N18 S6 -","- C112 H208 Cd12 N72 S24 -","4","1","","Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio","On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems","CrystEngComm","2020","22","46","8023","8035","10.1039/D0CE01233E","","","1.54178","CuKα","","0.0347","0.0313","","","0.0711","0.0729","","","","","","1.064","","","","has coordinates,has disorder","259734","2020-12-10","03:37:59",""
"7241752","26.891","0.0015","16.3784","0.0009","20.2907","0.0012","90","","130.136","0.003","90","","6832.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H82 Mn3 N6 O31 -","- C54 H58 Mn3 N4 O24 -","- C216 H232 Mn12 N16 O96 -","4","0.5","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71073","MoKα","","0.0973","0.0494","","","0.1007","0.1163","","","","","","1.016","","","","has coordinates","259738","2020-12-10","03:41:12",""
"7241753","13.706","0.003","10.943","0.002","23.695","0.005","90","","106.11","0.03","90","","3414.3","1.3","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C78 H57 Mn3 N6 O22 -","- C78 H48.988 Mn3 N6 O18 -","- C156 H97.976 Mn6 N12 O36 -","2","0.5","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71","synchrotron","","0.0482","0.0443","","","0.108","0.1108","","","","","","1.032","","","","has coordinates,has disorder","259738","2020-12-10","03:41:12",""
"7241754","10.2097","0.0009","10.7615","0.001","13.8645","0.0013","81.129","0.002","79.737","0.002","64.205","0.002","1344.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H44 Mn2 N4 O18 -","- C62 H44 Mn2 N4 O18 -","- C62 H44 Mn2 N4 O18 -","1","0.5","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71073","MoKα","","0.1997","0.0762","","","0.0971","0.1243","","","","","","0.983","","","","has coordinates","259738","2020-12-10","03:41:12",""
"7241755","11.4113","0.0014","13.9536","0.0016","14.723","0.0018","105.212","0.003","92.722","0.004","107.323","0.003","2139.4","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H47 Mn N6 O18 -","- C39 H31 Mn N6 O10 -","- C78 H62 Mn2 N12 O20 -","2","1","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71073","MoKα","","0.1555","0.0658","","","0.1336","0.1613","","","","","","0.976","","","","has coordinates","259738","2020-12-10","03:41:12",""
"7241756","12.916","0.002","8.9128","0.0013","27.161","0.004","90","","98.425","0.004","90","","3093","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 Mn2 N3 O12 -","- C31 H25 Mn2 N3 O12 -","- C124 H100 Mn8 N12 O48 -","4","1","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71073","MoKα","","0.1151","0.0611","","","0.1508","0.1778","","","","","","1.028","","","","has coordinates","259738","2020-12-10","03:41:12",""
"7241757","28.4052","0.0019","16.0847","0.0012","19.9257","0.0012","90","","133.158","0.003","90","","6641","0.8","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H62 Mn3 N6 O23 -","- C66 H42 Mn3 N4 O18 -","- C264 H168 Mn12 N16 O72 -","4","0.5","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71073","MoKα","","0.1478","0.0569","","","0.1093","0.1349","","","","","","0.967","","","","has coordinates","259738","2020-12-10","03:41:13",""
"7241764","8.759","0.0004","9.44","0.0004","23.545","0.0008","90","","90","","90","","1946.82","0.14","296","2","296.15","","","","","","","","","6","P b c m","-P 2c 2b","57","","ethylenediammonium lead iodide chloride","","- C16 H80 Cl8 I16 N16 Pb4 -","- C16 H80 Cl8 I16 N16 Pb4 -","- C16 H80 Cl8 I16 N16 Pb4 -","1","0.125","","Fazayeli, Monireh; Khatamian, Maasoumeh; Cruciani, Giuseppe","Anomalous inclusion of chloride ions in ethylenediammonium lead iodide turns 1D non-perovskite into a 2D perovskite structure","CrystEngComm","2020","22","46","8063","8071","10.1039/D0CE00184H","","","0.71075","MoKα","","0.1083","0.0676","","","0.1527","0.1745","","","","","","1.063","","","","has coordinates","259740","2020-12-10","03:43:41",""
"7241787","9.9455","0.0003","8.2022","0.0003","15.9136","0.0006","90","","93.461","0.002","90","","1295.78","0.08","298.15","","298.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N5 O6 -","- C26 H33 N5 O6 -","- C52 H66 N10 O12 -","2","1","","Posada, Laura; Davyt, Danilo; Serra, Gloria","First total synthesis of versicotide A, B and C","RSC Advances","2020","10","71","43653","43659","10.1039/D0RA09635K","","","1.54178","CuKα","","0.0522","0.0442","","","0.1125","0.121","","","","","","1.059","","","","has coordinates","295835","2024-11-08","15:48:26",""
"7241788","12.2177","0.0002","16.0747","0.0002","25.66","0.0003","90","","98.643","0.001","90","","4982.29","0.12","169.98","0.11","169.98","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H57 Cl2 Co N3 O4 -","- C56 H57 Cl2 Co N3 O4 -","- C224 H228 Cl8 Co4 N12 O16 -","4","1","","Yuan, Shi-Fang; Fan, Zhe; Yan, Yi; Ma, Yanping; Han, Mingyang; Liang, Tongling; Sun, Wen-Hua","Achieving polydispersive HDPE by N,N,N-Co precatalysts appended with N-2,4-bis(di(4-methoxyphenyl)methyl)-6-methylphenyl","RSC Advances","2020","10","71","43400","43411","10.1039/D0RA09333E","","x-ray","1.54184","CuKα","","0.0661","0.0513","","","0.1302","0.1419","","","","","","1.025","","","","has coordinates","259809","2020-12-11","05:24:08",""
"7241789","12.3277","0.0003","15.5549","0.0004","26.352","0.0007","90","","98.564","0.002","90","","4996.8","0.2","169.99","0.13","169.99","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H55 Cl2 Co N3 O4 -","- C55 H55 Cl2 Co N3 O4 -","- C220 H220 Cl8 Co4 N12 O16 -","4","1","","Yuan, Shi-Fang; Fan, Zhe; Yan, Yi; Ma, Yanping; Han, Mingyang; Liang, Tongling; Sun, Wen-Hua","Achieving polydispersive HDPE by N,N,N-Co precatalysts appended with N-2,4-bis(di(4-methoxyphenyl)methyl)-6-methylphenyl","RSC Advances","2020","10","71","43400","43411","10.1039/D0RA09333E","","x-ray","1.54184","CuKα","","0.0688","0.0528","","","0.156","0.1733","","","","","","1.2723","","","","has coordinates","259809","2020-12-11","05:24:09",""
"7241790","14.6617","0.0018","19.303","0.003","7.5546","0.0009","90","","104.276","0.003","90","","2072","0.5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 Co N4 O5 -","- C21 H26 Co N4 O5 -","- C84 H104 Co4 N16 O20 -","4","1","","Mitsuhashi, Ryoji; Hosoya, Satoshi; Suzuki, Takayoshi; Sunatsuki, Yukinari; Sakiyama, Hiroshi; Mikuriya, Masahiro","Zero-field slow relaxation of magnetization in cobalt(ii) single-ion magnets: suppression of quantum tunneling of magnetization by tailoring the intermolecular magnetic coupling","RSC Advances","2020","10","71","43472","43479","10.1039/D0RA08286D","","","0.71073","MoKα","","0.1542","0.0651","","","0.1296","0.1515","","","","","","0.911","","","","has coordinates","259810","2020-12-11","05:24:36",""
"7241888","7.6012","0.0004","7.6086","0.0005","9.9648","0.0004","111.477","0.005","92.248","0.004","92.294","0.005","534.96","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 Au Cl3 N2 -","- C8 H6 Au Cl3 N2 -","- C16 H12 Au2 Cl6 N4 -","2","1","","Glišić, Biljana Đ.; Warżajtis, Beata; Hoffmann, Marcin; Rychlewska, Urszula; Djuran, Miloš I.","Mononuclear gold(iii) complexes with diazanaphthalenes: the influence of the position of nitrogen atoms in the aromatic rings on the complex crystalline properties","RSC Advances","2020","10","72","44481","44493","10.1039/D0RA08731A","","","0.71073","MoKα","","0.0217","0.0196","","","0.0426","0.0436","","","","","","1.074","","","","has coordinates","260010","2020-12-19","06:01:51",""
"7241889","12.9111","0.0004","12.1129","0.0004","6.7647","0.0002","90","","90","","90","","1057.94","0.06","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H6 Au Cl3 N2 -","- C8 H6 Au Cl3 N2 -","- C32 H24 Au4 Cl12 N8 -","4","1","","Glišić, Biljana Đ.; Warżajtis, Beata; Hoffmann, Marcin; Rychlewska, Urszula; Djuran, Miloš I.","Mononuclear gold(iii) complexes with diazanaphthalenes: the influence of the position of nitrogen atoms in the aromatic rings on the complex crystalline properties","RSC Advances","2020","10","72","44481","44493","10.1039/D0RA08731A","","","0.71073","MoKα","","0.02","0.0172","","","0.0343","0.0353","","","","","","1.058","","","","has coordinates","260010","2020-12-19","06:01:51",""
"7241890","4.0553","0.0001","11.2233","0.0002","11.6686","0.0003","90","","93.193","0.002","90","","530.26","0.02","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H6 Au Cl3 N2 -","- C8 H6 Au Cl3 N2 -","- C16 H12 Au2 Cl6 N4 -","2","1","","Glišić, Biljana Đ.; Warżajtis, Beata; Hoffmann, Marcin; Rychlewska, Urszula; Djuran, Miloš I.","Mononuclear gold(iii) complexes with diazanaphthalenes: the influence of the position of nitrogen atoms in the aromatic rings on the complex crystalline properties","RSC Advances","2020","10","72","44481","44493","10.1039/D0RA08731A","","","0.71073","MoKα","","0.0207","0.0196","","","0.0458","0.0465","","","","","","1.08","","","","has coordinates","260010","2020-12-19","06:01:52",""
"7241891","7.5601","0.0002","22.2124","0.0005","13.5335","0.0003","90","","103.107","0.003","90","","2213.45","0.1","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H6 Au Cl3 N2 -","- C8 H6 Au Cl3 N2 -","- C64 H48 Au8 Cl24 N16 -","8","2","","Glišić, Biljana Đ.; Warżajtis, Beata; Hoffmann, Marcin; Rychlewska, Urszula; Djuran, Miloš I.","Mononuclear gold(iii) complexes with diazanaphthalenes: the influence of the position of nitrogen atoms in the aromatic rings on the complex crystalline properties","RSC Advances","2020","10","72","44481","44493","10.1039/D0RA08731A","","","0.71073","MoKα","","0.0205","0.0197","","","0.0429","0.0435","","","","","","1.04","","","","has coordinates","260010","2020-12-19","06:01:52",""
"7241892","7.8424","0.0004","8.1614","0.0004","9.7794","0.0005","113.353","0.005","95.989","0.004","104.639","0.004","541.06","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 Au Cl3 N2 -","- C8 H6 Au Cl3 N2 -","- C16 H12 Au2 Cl6 N4 -","2","1","","Glišić, Biljana Đ.; Warżajtis, Beata; Hoffmann, Marcin; Rychlewska, Urszula; Djuran, Miloš I.","Mononuclear gold(iii) complexes with diazanaphthalenes: the influence of the position of nitrogen atoms in the aromatic rings on the complex crystalline properties","RSC Advances","2020","10","72","44481","44493","10.1039/D0RA08731A","","","0.71073","MoKα","","0.0203","0.0181","","","0.0388","0.0397","","","","","","1.117","","","","has coordinates","260010","2020-12-19","06:01:52",""
"7241893","21.7453","0.0006","10.7363","0.0002","25.254","0.0007","90","","106.562","0.003","90","","5651.3","0.3","110.1","0.3","110.1","0.3","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H22 O6 -","- C22 H22 O6 -","- C264 H264 O72 -","12","6","","Yu, Xuan; Lan, Wenjie; Li, Jiaqi; Bai, Hui; Qin, Zhaohai; Fu, Bin","Enantioselective one-pot synthesis of 4H-chromene derivatives catalyzed by a chiral Ni(ii) complex","RSC Advances","2020","10","72","44437","44441","10.1039/D0RA08906K","","x-ray","1.54184","CuKα","","0.0649","0.0615","","","0.1652","0.1688","","","","","","1.06","","","","has coordinates","260011","2020-12-19","06:02:21",""
"7241894","10.9462","0.0009","13.6297","0.0011","19.4386","0.0016","90","","90","","90","","2900.1","0.4","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,5-pentanediamine-Isophthalate","","- C13 H22 N2 O5 -","- C13 H22 N2 O5 -","- C104 H176 N16 O40 -","8","1","","Li, Zihan; Xu, Mengjie; Liu, Haodong; Wen, Qingshi; Fu, Jinqiu; Zhuang, Wei; Yang, Pengpeng; Wu, Jinglan; Ying, Hanjie","Monohydrate and anhydrate of nylon 5I monomer 1,5-pentanediamine‒isophthalate","RSC Advances","2020","10","73","44774","44784","10.1039/D0RA08767J","","","0.71073","MoKα","","0.0708","0.0397","","","0.0944","0.1104","","","","","","1.025","","","","has coordinates","260012","2020-12-19","06:02:54",""
"7241895","13.4758","0.0012","11.6629","0.0011","18.8817","0.0016","90","","103.974","0.004","90","","2879.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,5-diaminopentane-Isophthalate","1,5-pentanediamine-Isophthalate","","- C13 H20 N2 O4 -","- C13 H20 N2 O4 -","- C104 H160 N16 O32 -","8","2","","Li, Zihan; Xu, Mengjie; Liu, Haodong; Wen, Qingshi; Fu, Jinqiu; Zhuang, Wei; Yang, Pengpeng; Wu, Jinglan; Ying, Hanjie","Monohydrate and anhydrate of nylon 5I monomer 1,5-pentanediamine‒isophthalate","RSC Advances","2020","10","73","44774","44784","10.1039/D0RA08767J","","","0.71073","MoKα","","0.1237","0.0646","","","0.1173","0.1324","","","","","","1.03","","","","has coordinates","260012","2020-12-19","06:02:54",""
"7241896","13.2356","0.0008","7.1744","0.0004","25.3234","0.0016","90","","90","","90","","2404.6","0.2","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H10 O3 -","- C17 H10 O3 -","- C136 H80 O24 -","8","1","","Pham, Quyen T.; Le, Phong Q.; Dang, Ha V.; Ha, Hiep Q.; Nguyen, Huong T. D.; Truong, Thanh; Le, Tri Minh","Iodine-mediated formal [3 + 2] annulation for synthesis of furocoumarin from oxime esters","RSC Advances","2020","10","72","44332","44338","10.1039/D0RA07566C","","","0.71073","MoKα","","0.0962","0.0519","","","0.1","0.1165","","","","","","1.0693","","","","has coordinates","260013","2020-12-19","06:03:21",""
"7241897","12.9006","0.0004","11.7117","0.0004","23.7556","0.0008","90","","105.593","0.001","90","","3457.1","0.2","193","1","193","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 O9 Os3 P2 -","- C33 H24 O9 Os3 P2 -","- C132 H96 O36 Os12 P8 -","4","1","","Joy, Md. Tuhinur R.; Bhoumik, Nikhil C.; Ghosh, Shishir; Richmond, Michael G.; Kabir, Shariff E.","A new synthetic route for the preparation of [Os3(CO)10(μ-OH)(μ-H)] and its reaction with bis(diphenylphosphino)methane (dppm): syntheses and X-ray structures of two isomers of [Os3(CO)8(μ-OH)(μ-H)(μ-dppm)] and [Os3(CO)7(μ3-CO)(μ3-O)(μ-dppm)]","RSC Advances","2020","10","73","44699","44711","10.1039/D0RA08783A","","","0.71073","MoKα","","0.0245","0.0186","","","0.036","0.0376","","","","","","1.046","","","","has coordinates","260015","2020-12-19","06:04:25",""
"7241898","12.403","0.005","13.586","0.007","14.093","0.006","63.446","0.014","81.056","0.013","68.94","0.02","1982.3","1.6","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 O9 Os3 P2 -","- C33 H22 O9 Os3 P2 -","- C66 H44 O18 Os6 P4 -","2","1","","Joy, Md. Tuhinur R.; Bhoumik, Nikhil C.; Ghosh, Shishir; Richmond, Michael G.; Kabir, Shariff E.","A new synthetic route for the preparation of [Os3(CO)10(μ-OH)(μ-H)] and its reaction with bis(diphenylphosphino)methane (dppm): syntheses and X-ray structures of two isomers of [Os3(CO)8(μ-OH)(μ-H)(μ-dppm)] and [Os3(CO)7(μ3-CO)(μ3-O)(μ-dppm)]","RSC Advances","2020","10","73","44699","44711","10.1039/D0RA08783A","","","0.71073","MoKα","","0.0226","0.0212","","","0.0567","0.0573","","","","","","1.085","","","","has coordinates","260015","2020-12-19","06:04:26",""
"7241899","10.8434","0.0008","11.453","0.0009","16.7944","0.0012","70.658","0.003","87.463","0.003","76.322","0.003","1910.8","0.3","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H25 O12 Os3 P2 -","- C36 H25 O12 Os3 P2 -","- C72 H50 O24 Os6 P4 -","2","1","","Joy, Md. Tuhinur R.; Bhoumik, Nikhil C.; Ghosh, Shishir; Richmond, Michael G.; Kabir, Shariff E.","A new synthetic route for the preparation of [Os3(CO)10(μ-OH)(μ-H)] and its reaction with bis(diphenylphosphino)methane (dppm): syntheses and X-ray structures of two isomers of [Os3(CO)8(μ-OH)(μ-H)(μ-dppm)] and [Os3(CO)7(μ3-CO)(μ3-O)(μ-dppm)]","RSC Advances","2020","10","73","44699","44711","10.1039/D0RA08783A","","","0.71073","MoKα","","0.0362","0.0347","","","0.1112","0.1128","","","","","","1.051","","","","has coordinates,has disorder","260015","2020-12-19","06:04:26",""
"7241900","10.642","0.007","12.082","0.009","16.209","0.013","76.185","0.019","71.21","0.03","73.02","0.02","1863","2","193","1","193","1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 O9 Os3 P2 -","- C33 H23 O9 Os3 P2 -","- C66 H46 O18 Os6 P4 -","2","1","","Joy, Md. Tuhinur R.; Bhoumik, Nikhil C.; Ghosh, Shishir; Richmond, Michael G.; Kabir, Shariff E.","A new synthetic route for the preparation of [Os3(CO)10(μ-OH)(μ-H)] and its reaction with bis(diphenylphosphino)methane (dppm): syntheses and X-ray structures of two isomers of [Os3(CO)8(μ-OH)(μ-H)(μ-dppm)] and [Os3(CO)7(μ3-CO)(μ3-O)(μ-dppm)]","RSC Advances","2020","10","73","44699","44711","10.1039/D0RA08783A","","","0.71073","MoKα","","0.0888","0.0504","","","0.0909","0.1013","","","","","","1.035","","","","has coordinates","260015","2020-12-19","06:04:26",""
"7241901","10.9749","0.0008","12.9394","0.001","14.3221","0.0011","74.898","0.004","89.703","0.003","72.437","0.003","1866.1","0.3","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 O11 Os3 P2 -","- C36 H28 O11 Os3 P2 -","- C72 H56 O22 Os6 P4 -","2","1","","Joy, Md. Tuhinur R.; Bhoumik, Nikhil C.; Ghosh, Shishir; Richmond, Michael G.; Kabir, Shariff E.","A new synthetic route for the preparation of [Os3(CO)10(μ-OH)(μ-H)] and its reaction with bis(diphenylphosphino)methane (dppm): syntheses and X-ray structures of two isomers of [Os3(CO)8(μ-OH)(μ-H)(μ-dppm)] and [Os3(CO)7(μ3-CO)(μ3-O)(μ-dppm)]","RSC Advances","2020","10","73","44699","44711","10.1039/D0RA08783A","","","0.71073","MoKα","","0.0221","0.0176","","","0.0363","0.0377","","","","","","1.04","","","","has coordinates","260015","2020-12-19","06:04:26",""
"7241928","3.7996","0.0007","8.2477","0.0013","14.205","0.004","90","","90","","90","","445.16","0.17","275.2","","275.2","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C5 H12 -","- C5 H12 -","- C20 H48 -","4","0.5","","Liu, X.; Pulham, C. R.","Pressure-induced phase separation of miscible liquids: 1 : 1 n-pentane/iso-pentane","CrystEngComm","2020","22","47","8251","8255","10.1039/D0CE01335H","","","0.71073","MoKα","","0.0575","0.0437","","","0.1178","0.127","","","","","","1.19","","","","has coordinates","260032","2020-12-20","02:21:22",""
"7241929","8.492","0.006","13.445","0.006","13.518","0.006","83.69","0.009","86.778","0.009","85.131","0.006","1526.8","1.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 Ag N4 O12 -","- C32 H29 Ag N4 O12 -","- C64 H58 Ag2 N8 O24 -","2","1","","Ma, Jianxin; Wang, Yue; Liu, Guocheng; Xu, Na; Wang, Xiuli","A pH-stable Ag(i) multifunctional luminescent sensor for the efficient detection of organic solvents, organochlorine pesticides and heavy metal ions","RSC Advances","2020","10","73","44712","44718","10.1039/D0RA08991E","","x-ray","0.71073","MoKα","K-L~3~","0.1548","0.0842","","","0.2376","0.2803","","","","","","0.981","","","","has coordinates,has disorder","260039","2020-12-20","05:02:06",""
"7241934","6.8671","0.0006","9.1774","0.0014","14.373","0.003","108.299","0.017","91.374","0.012","94.052","0.01","856.8","0.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N4 O2 -","- C20 H16 N4 O2 -","- C40 H32 N8 O4 -","2","1","","Sahu, Meman; Manna, Amit Kumar; Chowdhury, Shubhamoy; Patra, Goutam Kumar","A novel dihydro phenylquinazolinone-based two-in-one colourimetric chemosensor for nickel(ii), copper(ii) and its copper complex for the fluorescent colourimetric nanomolar detection of the cyanide anion","RSC Advances","2020","10","73","44860","44875","10.1039/D0RA09023A","","","0.71073","MoKα","","0.0718","0.0469","","","0.0911","0.1047","","","","","","1.0492","","","","has coordinates","260112","2020-12-23","05:26:50",""
"7241935","12.756","0.0009","14.7694","0.0011","15.2714","0.0012","97.98","0.002","111.813","0.002","107.16","0.002","2450.1","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C55 H70 O10 -","- C55 H70 O10 -","- C110 H140 O20 -","2","1","","Li, Bin; Xu, Kaidi; Wang, Yiliang; Su, Hang; Cui, Lei; Li, Chunju","Selective complexation and efficient separation of cis/trans-1,2-dichloroethene isomers by a pillar[5]arene","RSC Advances","2020","10","73","45112","45115","10.1039/D0RA09307F","","","0.71073","MoKα","","0.0916","0.0527","","","0.1112","0.1326","","","","","","1.044","","","","has coordinates","260113","2020-12-23","05:27:27",""
"7241936","22.214","0.004","20.8","0.004","25.875","0.005","90","","100.33","0.03","90","","11762","4","153","2","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C118 H147 Cl8 O20 -","- C118 H147 Cl8 O20 -","- C472 H588 Cl32 O80 -","4","1","","Li, Bin; Xu, Kaidi; Wang, Yiliang; Su, Hang; Cui, Lei; Li, Chunju","Selective complexation and efficient separation of cis/trans-1,2-dichloroethene isomers by a pillar[5]arene","RSC Advances","2020","10","73","45112","45115","10.1039/D0RA09307F","","","0.71073","MoKα","","0.1781","0.1578","","","0.4057","0.4279","","","","","","1.139","","","","has coordinates,has disorder","260113","2020-12-23","05:27:27",""
"7241937","9.8","0.0004","12.7411","0.0005","16.7622","0.0006","90","","100.024","0.0013","90","","2061.03","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H38 Br N O4 -","- C16 H38 Br N O4 -","- C64 H152 Br4 N4 O16 -","4","1","","Hull, Katherine L.; Schipper, Desmond E.; Oliver, Allen G.","Synthesis and structural characterization of CO2-soluble oxidizers [Bu4N]BrO3 and [Bu4N]ClO3 and their dissolution in cosolvent-modified CO2 for reservoir applications","RSC Advances","2020","10","73","44973","44980","10.1039/D0RA09563J","","","0.71073","MoKα","","0.0325","0.0244","","","0.0538","0.0571","","","","","","1.026","","","","has coordinates","260114","2020-12-23","05:28:57",""
"7241938","9.4093","0.0011","19.713","0.002","16.8064","0.0019","90","","103.68","0.004","90","","3028.9","0.6","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cl N O3 P2 -","- C36 H30 Cl N O3 P2 -","- C144 H120 Cl4 N4 O12 P8 -","4","1","","Hull, Katherine L.; Schipper, Desmond E.; Oliver, Allen G.","Synthesis and structural characterization of CO2-soluble oxidizers [Bu4N]BrO3 and [Bu4N]ClO3 and their dissolution in cosolvent-modified CO2 for reservoir applications","RSC Advances","2020","10","73","44973","44980","10.1039/D0RA09563J","","","0.71073","MoKα","","0.0604","0.0486","","","0.1078","0.113","","","","","","1.109","","","","has coordinates","260114","2020-12-23","05:29:07",""
"7241939","9.4724","0.0004","19.7442","0.0009","16.8171","0.0007","90","","103.818","0.0013","90","","3054.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Br N O3 P2 -","- C36 H30 Br N O3 P2 -","- C144 H120 Br4 N4 O12 P8 -","4","1","","Hull, Katherine L.; Schipper, Desmond E.; Oliver, Allen G.","Synthesis and structural characterization of CO2-soluble oxidizers [Bu4N]BrO3 and [Bu4N]ClO3 and their dissolution in cosolvent-modified CO2 for reservoir applications","RSC Advances","2020","10","73","44973","44980","10.1039/D0RA09563J","","","0.71073","MoKα","","0.0393","0.0307","","","0.0663","0.0701","","","","","","1.049","","","","has coordinates","260114","2020-12-23","05:29:07",""
"7241940","12.0476","0.0016","24.535","0.003","14.501","0.002","90","","114.01","0.002","90","","3915.4","0.9","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 Cl N O3 -","- C16 H36 Cl N O3 -","- C128 H288 Cl8 N8 O24 -","8","2","","Hull, Katherine L.; Schipper, Desmond E.; Oliver, Allen G.","Synthesis and structural characterization of CO2-soluble oxidizers [Bu4N]BrO3 and [Bu4N]ClO3 and their dissolution in cosolvent-modified CO2 for reservoir applications","RSC Advances","2020","10","73","44973","44980","10.1039/D0RA09563J","","","0.71073","MoKα","","0.0602","0.0447","","","0.1113","0.121","","","","","","1.025","","","","has coordinates,has disorder","260114","2020-12-23","05:29:07",""
"7241941","8.9127","0.0004","9.861","0.0005","17.5409","0.0009","104.4","0.2","96.3","0.2","97.5","0.2","1464.1","1.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","'[Co(hfacac)4(BisPyBz)2]'","","- C28 H18 Co F12 N2 O4 -","- C28 H18 Co F12 N2 O4 -","- C56 H36 Co2 F24 N4 O8 -","2","1","","Portolés-Gil, Núria; Gómez-Coca, Silvia; Vallcorba, Oriol; Marbán, Gregorio; Aliaga-Alcalde, Núria; López-Periago, Ana; Ayllón, José A.; Domingo, Concepción","Single molecule magnets of cobalt and zinc homo- and heterometallic coordination polymers prepared by a one-step synthetic procedure","RSC Advances","2020","10","73","45090","45104","10.1039/D0RA09132D","powder diffraction","","0.61978","Synchrotron","","","","","","","","","0.032","8.158","","","","","","","has coordinates","260115","2020-12-23","05:30:15",""
"7241942","8.9","0.002","9.894","0.0013","17.511","0.0017","104.699","0.01","96.02","0.02","97.45","0.03","1463.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[Zn(hfacac)4(BisPyBz)2]","","- C28 H18 F12 N2 O4 Zn -","- C28 H18 F12 N2 O4 Zn -","- C56 H36 F24 N4 O8 Zn2 -","2","1","","Portolés-Gil, Núria; Gómez-Coca, Silvia; Vallcorba, Oriol; Marbán, Gregorio; Aliaga-Alcalde, Núria; López-Periago, Ana; Ayllón, José A.; Domingo, Concepción","Single molecule magnets of cobalt and zinc homo- and heterometallic coordination polymers prepared by a one-step synthetic procedure","RSC Advances","2020","10","73","45090","45104","10.1039/D0RA09132D","","","0.72932","synchrotron","","0.0348","0.0331","","","0.0838","0.085","","","","","","1.063","","","","has coordinates,has disorder","260115","2020-12-23","05:30:16",""
"7241943","8.93","0.007","9.88","0.005","17.57","0.009","104.57","0.06","96.38","0.03","97.45","0.08","1470.9","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[CoZn(hfacac)4(BisPyBz)2]","","- C28 H18 Co0.47 F12 N2 O4 Zn0.53 -","- C28 H18 Co0.466 F12 N2 O4 Zn0.534 -","- C56 H36 Co0.932 F24 N4 O8 Zn1.068 -","2","1","","Portolés-Gil, Núria; Gómez-Coca, Silvia; Vallcorba, Oriol; Marbán, Gregorio; Aliaga-Alcalde, Núria; López-Periago, Ana; Ayllón, José A.; Domingo, Concepción","Single molecule magnets of cobalt and zinc homo- and heterometallic coordination polymers prepared by a one-step synthetic procedure","RSC Advances","2020","10","73","45090","45104","10.1039/D0RA09132D","","","0.72929","synchrotron","","0.0357","0.0348","","","0.0964","0.0971","","","","","","1.065","","","","has coordinates,has disorder","260115","2020-12-23","05:30:16",""
"7241944","8.7704","0.00007","9.1599","0.00006","10.043","0.00011","62.972","0.0006","71.41","0.0007","80.889","0.0006","681.112","0.011","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[Co(hfacac)4(BisPyBz)2]","","- C14 H9 Co0.5 F6 N O2 -","- C14 H9 Co0.5 F6 N O2 -","- C28 H18 Co F12 N2 O4 -","2","1","","Portolés-Gil, Núria; Gómez-Coca, Silvia; Vallcorba, Oriol; Marbán, Gregorio; Aliaga-Alcalde, Núria; López-Periago, Ana; Ayllón, José A.; Domingo, Concepción","Single molecule magnets of cobalt and zinc homo- and heterometallic coordination polymers prepared by a one-step synthetic procedure","RSC Advances","2020","10","73","45090","45104","10.1039/D0RA09132D","","","0.72931","synchrotron","","0.0289","0.0288","","","0.079","0.0794","","","","","","1.096","","","","has coordinates","260115","2020-12-23","05:30:16",""
"7241997","10.4292","0.0002","15.3858","0.0003","26.9006","0.0004","90","","90","","90","","4316.51","0.13","133.15","","133.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C13 H38 Mg2 N2 O21 Pt S4 -","- C13 H38 Mg2 N2 O21 Pt S4 -","- C52 H152 Mg8 N8 O84 Pt4 S16 -","4","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0313","0.0272","","","0.0656","0.0673","","","","","","1.15","","","","has coordinates,has disorder","260336","2021-01-01","04:05:15",""
"7241998","6.2643","0.0003","13.6027","0.0007","14.2439","0.0006","117.142","0.003","92.957","0.004","99.353","0.004","1054.74","0.09","133.15","","133.15","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H32 N2 Ni2 O20 Pt S4 -","- C10 H32 N2 Ni2 O20 Pt S4 -","- C10 H32 N2 Ni2 O20 Pt S4 -","1","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0333","0.0274","","","0.0666","0.0701","","","","","","1.044","","","","has coordinates","260336","2021-01-01","04:05:15",""
"7241999","6.7533","0.0003","7.4688","0.0004","11.335","0.0005","103.51","0.004","97.371","0.004","103.462","0.004","530.45","0.05","133.15","","133.15","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H16 Cd2 N2 O12 Pt S4 -","- C10 H16 Cd2 N2 O12 Pt S4 -","- C10 H16 Cd2 N2 O12 Pt S4 -","1","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0172","0.0167","","","0.0442","0.0445","","","","","","1.104","","","","has coordinates","260336","2021-01-01","04:05:16",""
"7242000","25.8063","0.0006","10.7668","0.0002","23.2567","0.0005","90","","90.72","0.002","90","","6461.4","0.2","133.15","","133.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H26 Mn2 N2 O17 Pt S4 -","- C10 H26 Mn2 N2 O17 Pt S4 -","- C80 H208 Mn16 N16 O136 Pt8 S32 -","8","1","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.031","0.0291","","","0.0716","0.0726","","","","","","1.03","","","","has coordinates","260336","2021-01-01","04:05:16",""
"7242001","6.8663","0.0006","7.9281","0.0007","11.5395","0.001","94.147","0.007","101.197","0.007","114.893","0.007","550.53","0.09","133.15","","133.15","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H16 N2 O12 Pt S4 Sr2 -","- C10 H16 N2 O12 Pt S4 Sr2 -","- C10 H16 N2 O12 Pt S4 Sr2 -","1","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0849","0.0597","","","0.1477","0.1799","","","","","","1.188","","","","has coordinates","260336","2021-01-01","04:05:16",""
"7242002","6.319","0.0002","13.7134","0.0004","16.9778","0.0006","90","","97.989","0.003","90","","1456.93","0.08","133.15","","133.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H36 Fe2 N2 O22 Pt S4 -","- C10 H36 Fe2 N2 O22 Pt S4 -","- C20 H72 Fe4 N4 O44 Pt2 S8 -","2","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0382","0.0294","","","0.0587","0.0616","","","","","","1.184","","","","has coordinates","260336","2021-01-01","04:05:16",""
"7242003","6.2781","0.0004","13.6869","0.0011","14.2519","0.001","117.626","0.005","92.748","0.006","100.521","0.006","1054.34","0.15","133.15","","133.15","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H32 Co2 N2 O20 Pt S4 -","- C10 H32 Co2 N2 O20 Pt S4 -","- C10 H32 Co2 N2 O20 Pt S4 -","1","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0508","0.0405","","","0.0983","0.107","","","","","","1.059","","","","has coordinates","260336","2021-01-01","04:05:16",""
"7242004","10.5366","0.0004","10.7815","0.0004","12.2029","0.0005","97.258","0.001","98.196","0.001","117.932","0.001","1182.32","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 N4 O8 Sm -","- C25 H18 N4 O8 Sm -","- C50 H36 N8 O16 Sm2 -","2","1","","Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia","A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","CrystEngComm","2020","22","45","7877","7887","10.1039/D0CE01256D","","","0.71073","MoKα","","0.0455","0.0332","","","0.0714","0.0752","","","","","","1.059","","","","has coordinates","260337","2021-01-01","04:11:28",""
"7242005","10.4665","0.0004","10.692","0.0004","12.2202","0.0005","96.974","0.001","98.572","0.001","117.604","0.001","1169.68","0.08","153","2","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H37 Dy2 N8 O16.5 -","- C50 H37 Dy2 N8 O16.5 -","- C50 H37 Dy2 N8 O16.5 -","1","0.5","","Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia","A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","CrystEngComm","2020","22","45","7877","7887","10.1039/D0CE01256D","","","0.71073","MoKα","","0.0405","0.0358","","","0.085","0.0876","","","","","","1.038","","","","has coordinates","260337","2021-01-01","04:11:28",""
"7242006","10.4833","0.0004","10.712","0.0004","12.2096","0.0005","97.082","0.001","98.465","0.001","117.663","0.001","1172.06","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 N4 O8 Tb -","- C25 H18 N4 O8 Tb -","- C50 H36 N8 O16 Tb2 -","2","1","","Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia","A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","CrystEngComm","2020","22","45","7877","7887","10.1039/D0CE01256D","","","0.71073","MoKα","","0.0292","0.0255","","","0.0643","0.066","","","","","","1.054","","","","has coordinates","260337","2021-01-01","04:11:28",""
"7242007","10.5279","0.0008","10.7664","0.0008","12.2112","0.0016","97.308","0.002","98.164","0.001","117.842","0.001","1181.5","0.2","294","2","294.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Eu N4 O8 -","- C25 H18 Eu N4 O8 -","- C50 H36 Eu2 N8 O16 -","2","1","","Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia","A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","CrystEngComm","2020","22","45","7877","7887","10.1039/D0CE01256D","","","0.71073","MoKα","","0.0332","0.0301","","","0.0817","0.0902","","","","","","1.086","","","","has coordinates","260337","2021-01-01","04:11:28",""
"7242008","10.502","0.0004","10.7425","0.0004","12.2129","0.0005","97.093","0.001","98.38","0.001","117.775","0.001","1176.88","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Gd N4 O8 -","- C25 H18 Gd N4 O8 -","- C50 H36 Gd2 N8 O16 -","2","1","","Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia","A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","CrystEngComm","2020","22","45","7877","7887","10.1039/D0CE01256D","","","0.71073","MoKα","","0.0315","0.0293","","","0.0785","0.0801","","","","","","1.112","","","","has coordinates","260337","2021-01-01","04:11:28",""
"7242015","13.864","0.011","12.086","0.011","14.994","0.012","90","","111.62","0.02","90","","2336","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C104 H112 N16 O24 -","4","0.5","","Tripathi, Suparna; Islam, Samiul; Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata","Supramolecular assemblies involving salt bridges: DFT and X-ray evidence of bipolarity","CrystEngComm","2020","22","47","8171","8181","10.1039/D0CE01356K","","","0.71073","MoKα","","0.054","0.0494","","","0.132","0.1371","","","","","","1.084","","","","has coordinates","260359","2021-01-02","02:31:04",""
"7242016","7.075","0.003","19.857","0.002","12.811","0.002","90","","94.991","0.002","90","","1793","0.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C80 H72 N8 O20 -","4","1","","Tripathi, Suparna; Islam, Samiul; Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata","Supramolecular assemblies involving salt bridges: DFT and X-ray evidence of bipolarity","CrystEngComm","2020","22","47","8171","8181","10.1039/D0CE01356K","","","0.71073","MoKα","","0.0435","0.0355","","","0.0927","0.0995","","","","","","1.04","","","","has coordinates","260359","2021-01-02","02:31:04",""
"7242017","6.855","0.004","7.642","0.003","24.281","0.004","90.019","0.003","92.555","0.002","107.022","0.004","1214.9","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C52 H56 N8 O12 -","2","1","","Tripathi, Suparna; Islam, Samiul; Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata","Supramolecular assemblies involving salt bridges: DFT and X-ray evidence of bipolarity","CrystEngComm","2020","22","47","8171","8181","10.1039/D0CE01356K","","","0.71073","MoKα","","0.0388","0.0339","","","0.091","0.0947","","","","","","1.047","","","","has coordinates","260359","2021-01-02","02:31:04",""
"7700720","8.8147","0.0004","9.6066","0.0005","16.3384","0.0011","88.426","0.004","83.914","0.004","85.607","0.004","1371.42","0.13","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C48 N6 O21 P6 Zr -","- C48 N6 O21 P6 Zr -","- C48 N6 O21 P6 Zr -","1","0.5","","Taddei, Marco; Shearan, Stephen J. I.; Donnadio, Anna; Casciola, Mario; Vivani, Riccardo; Costantino, Ferdinando","Investigating the effect of positional isomerism on the assembly of zirconium phosphonates based on tritopic linkers.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3662","3666","10.1039/c9dt02463h","powder diffraction","x-ray","1.5406","Kα","","","","","","","","0.0596","","2.91","","","","","","","has coordinates","250324","2020-10-21","18:00:00",""
"7700866","16.2418","0.0004","16.2418","0.0004","12.9864","0.0006","90","","90","","90","","3425.8","0.2","292.79","0.1","292.79","0.1","","","","","","","","5","I 4/m","-I 4","87","","","","- Ba2.67 Cl6 O8 Pb8 Sr0.33 -","- Ba2.66667 Cl6 O8 Pb8 Sr0.333333 -","- Ba16 Cl36 O48 Pb48 Sr2 -","6","0.375","","Li, Zhuang; Zhang, Shengzi; Xing, Wenhao; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","Ba<sub>8</sub>SrPb<sub>24</sub>O<sub>24</sub>Cl<sub>18</sub>: the first alkali-earth metal lead(ii) oxyhalide with an intriguing multimember-ring layer.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3667","3671","10.1039/c9dt02839k","","x-ray","0.71073","MoKα","","0.0401","0.0354","","","0.0866","0.0894","","","","","","1.053","","","","has coordinates","250318","2020-10-21","18:00:00",""
"7701257","15.132","0.0008","15.574","0.0008","16.932","0.0008","75.653","0.004","82.818","0.004","61.305","0.005","3391","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H81 Cu2 N5 O9 S4 -","- C66 H71 Cu2 N5 O5 S4 -","- C132 H142 Cu4 N10 O10 S8 -","2","1","","Li, Jian-Fang; Du, Peng; Liu, Ying-Ying; Xu, Guo-Hai; Ma, Jian-Fang","Three thiacalix[4]arene-based Cu(i) coordination polymers: catalytic activities for azide-alkyne cycloaddition reactions and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3715","3722","10.1039/c9dt03060c","","","0.71073","MoKα","","0.1492","0.1123","","","0.2348","0.2464","","","","","","1.138","","","","has coordinates,has disorder","250317","2020-10-21","18:00:00",""
"7701258","10.9843","0.0007","16.0778","0.0011","19.4622","0.001","108.212","0.005","91.375","0.004","99.797","0.005","3206.3","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H68 Br3 Cu3 N4 O4 S4 -","- C64 H68 Br3 Cu3 N4 O4 S4 -","- C128 H136 Br6 Cu6 N8 O8 S8 -","2","1","","Li, Jian-Fang; Du, Peng; Liu, Ying-Ying; Xu, Guo-Hai; Ma, Jian-Fang","Three thiacalix[4]arene-based Cu(i) coordination polymers: catalytic activities for azide-alkyne cycloaddition reactions and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3715","3722","10.1039/c9dt03060c","","","0.71073","MoKα","","0.0908","0.0533","","","0.1106","0.1255","","","","","","0.979","","","","has coordinates","250317","2020-10-21","18:00:00",""
"7701259","15.282","0.0008","15.561","0.0008","15.889","0.0009","105.876","0.005","111.146","0.005","90.496","0.004","3365.3","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H71 Cu I N4 O5.5 S4 -","- C64 H68 Cu I N4 O4 S4 -","- C128 H136 Cu2 I2 N8 O8 S8 -","2","1","","Li, Jian-Fang; Du, Peng; Liu, Ying-Ying; Xu, Guo-Hai; Ma, Jian-Fang","Three thiacalix[4]arene-based Cu(i) coordination polymers: catalytic activities for azide-alkyne cycloaddition reactions and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3715","3722","10.1039/c9dt03060c","","","0.71073","MoKα","","0.087","0.0514","","","0.1177","0.1333","","","","","","1.062","","","","has coordinates,has disorder","250317","2020-10-21","18:00:00",""
"7701355","10.602","0.003","11.265","0.003","25.144","0.005","81.695","0.006","84.894","0.006","88.797","0.011","2959.6","1.3","110","","110","","","","","","","","","8","P -1","-P 1","2","","","","- C58 H76 B2 F4 N10 O2 P2 Pt -","- C58 H76 B2 F4 N10 O2 P2 Pt -","- C116 H152 B4 F8 N20 O4 P4 Pt2 -","2","1","","Dhindsa, Jasveer S.; Melenbacher, Adyn; Barbon, Stephanie M.; Stillman, Martin J.; Gilroy, Joe B.","Altering the optoelectronic properties of boron difluoride formazanate dyes <i>via</i> conjugation with platinum(II)-acetylides.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16133","16142","10.1039/c9dt03417j","","","0.71073","MoKα","","0.0411","0.029","","","0.0568","0.0594","","","","","","1.034","","","","has coordinates","260791","2021-01-07","06:31:32",""
"7701373","22.1079","0.0013","22.1079","0.0013","13.2561","0.0015","90","","90","","120","","5611","0.8","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ce9 I36 K3 O108 -","- Ce9 I36 K3 O108 -","- Ce18 I72 K6 O216 -","2","0.111111","","Tang, Hong-Xin; Zhuo, Chao; Zhang, Yu-Xiao; Shui, Qi-Rui; Fu, Rui-Biao; Ma, Zu-Ju; Wu, Xin-Tao","A<sub>x</sub>Ce<sub>9</sub>(IO<sub>3</sub>)<sub>36</sub> (A = K, La): the effects of a change in the intermediate valence on the second-harmonic generation response.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3672","3675","10.1039/c9dt03628h","","","0.71073","MoKα","","0.0483","0.0476","","","0.1211","0.1217","","","","","","1.099","","","","has coordinates","250316","2020-10-21","18:00:00",""
"7701374","21.9793","0.0011","21.9793","0.0011","13.0846","0.0012","90","","90","","120","","5474.2","0.6","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ce9 I36 La0.3 O108 -","- Ce9 I36 La0.3 O108 -","- Ce18 I72 La0.6 O216 -","2","0.111111","","Tang, Hong-Xin; Zhuo, Chao; Zhang, Yu-Xiao; Shui, Qi-Rui; Fu, Rui-Biao; Ma, Zu-Ju; Wu, Xin-Tao","A<sub>x</sub>Ce<sub>9</sub>(IO<sub>3</sub>)<sub>36</sub> (A = K, La): the effects of a change in the intermediate valence on the second-harmonic generation response.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3672","3675","10.1039/c9dt03628h","","","0.71073","MoKα","","0.032","0.03","","","0.0749","0.0757","","","","","","1.047","","","","has coordinates","250316","2020-10-21","18:00:00",""
"7701445","14.67","0.004","7.1244","0.0016","10.897","0.003","90","","100.897","0.006","90","","1118.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Na O11 Si2 Sr5 -","- B Na O11 Si2 Sr5 -","- B4 Na4 O44 Si8 Sr20 -","4","1","","Tang, Ruling; Hu, Chunli; Feng, Jianghe; Fang, Zhi; Chen, Yan; Kong, Fang; Mao, Jianggao","Sr<sub>5</sub>TeO<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub> and NaSr<sub>5</sub>(BO<sub>3</sub>)(SiO<sub>4</sub>)<sub>2</sub>: two inorganic metal borate derivatives with diverse zero dimensional anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3743","3749","10.1039/c9dt03839f","","","0.71073","MoKα","","0.0444","0.0374","","","0.0618","0.0641","","","","","","1.16","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7701446","7.6005","0.0003","7.6005","0.0003","10.4006","0.001","90","","90","","90","","600.82","0.07","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- B4 O14 Sr5 Te -","- B4 O14 Sr5 Te -","- B8 O28 Sr10 Te2 -","2","0.125","","Tang, Ruling; Hu, Chunli; Feng, Jianghe; Fang, Zhi; Chen, Yan; Kong, Fang; Mao, Jianggao","Sr<sub>5</sub>TeO<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub> and NaSr<sub>5</sub>(BO<sub>3</sub>)(SiO<sub>4</sub>)<sub>2</sub>: two inorganic metal borate derivatives with diverse zero dimensional anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3743","3749","10.1039/c9dt03839f","","","0.71073","MoKα","","0.0387","0.0309","","","0.0747","0.081","","","","","","1.108","","","","has coordinates","250319","2020-10-21","18:00:00",""
"7701453","14.5034","0.0008","16.592","0.0009","23.044","0.0013","71.648","0.004","84.13","0.004","75.454","0.004","5093","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C104 H166 Cd8 Ge16 N24 O123 V24 -","- C104 H80 Cd8 Ge16 N24 O123 V24 -","- C104 H80 Cd8 Ge16 N24 O123 V24 -","1","0.5","","Qin, Dan; Zhang, Tian-Jiao; Ma, Cheng-Bing; Yang, Guo-Yu","Two novel 3D borates: porous-layer and layer-pillar frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3824","3829","10.1039/c9dt03867a","","","0.71073","MoKα","","0.0751","0.0623","","","0.1545","0.1669","","","","","","1.038","","","","has coordinates","250321","2020-10-21","18:00:00",""
"7701454","17.193","0.003","23.511","0.005","26.373","0.005","90","","100.15","0.03","90","","10494","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H84 Cd4.5 Ge8 N13 O59 V12 -","- C36 H48 Cd4.5 Ge8 N13 O59 V12 -","- C144 H192 Cd18 Ge32 N52 O236 V48 -","4","0.5","","Qin, Dan; Zhang, Tian-Jiao; Ma, Cheng-Bing; Yang, Guo-Yu","Two novel 3D borates: porous-layer and layer-pillar frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3824","3829","10.1039/c9dt03867a","","","0.71073","MoKα","","0.1486","0.0849","","","0.2298","0.2727","","","","","","1.068","","","","has coordinates","250321","2020-10-21","18:00:00",""
"7701455","17.9913","0.0003","23.6117","0.0004","23.9327","0.0004","90","","91.729","0.0013","90","","10162.1","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H107 Cd6 Ge6 N24 O53.5 V15 -","- C24 H92 Cd6 Ge6 N24 O53.5 V15 -","- C96 H368 Cd24 Ge24 N96 O214 V60 -","4","1","","Qin, Dan; Zhang, Tian-Jiao; Ma, Cheng-Bing; Yang, Guo-Yu","Two novel 3D borates: porous-layer and layer-pillar frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3824","3829","10.1039/c9dt03867a","","","0.71073","MoKα","","0.1127","0.0803","","","0.2224","0.253","","","","","","1.016","","","","has coordinates","250321","2020-10-21","18:00:00",""
"7701851","8.7174","0.0006","14.5181","0.0011","10.5302","0.0009","90","","101.859","0.007","90","","1304.26","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H13 B7 N2 O12 -","- C3 H13 B7 N2 O12 -","- C12 H52 B28 N8 O48 -","4","1","","Chen, Chong-An; Pan, Rui; Yang, Guo-Yu","Syntheses and structures of a new 2D layered borate and a novel 3D porous-layered aluminoborate.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3750","3757","10.1039/c9dt03846a","","","0.71073","MoKα","","0.0798","0.0545","","","0.1244","0.1408","","","","","","1.022","","","","has coordinates","250315","2020-10-21","18:00:00",""
"7701852","6.9842","0.0003","10.232","0.0004","20.678","0.001","76.392","0.004","86.7","0.004","82.594","0.003","1423.67","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C H4 Al2 B15 K3.52 Na3.48 O33 -","- C H4 Al2 B15 K3.52 Na3.48 O33 -","- C2 H8 Al4 B30 K7.04 Na6.96 O66 -","2","1","","Chen, Chong-An; Pan, Rui; Yang, Guo-Yu","Syntheses and structures of a new 2D layered borate and a novel 3D porous-layered aluminoborate.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3750","3757","10.1039/c9dt03846a","","","0.71073","MoKα","","0.0755","0.0589","","","0.1569","0.1689","","","","","","1.027","","","","has coordinates,has disorder","250315","2020-10-21","18:00:00",""
"7701871","8.9323","0.0004","8.9323","0.0004","13.2617","0.0007","90","","90","","120","","916.34","0.08","193","2","193","2","","","","","","","","8","P 63","P 6c","173","","","","- C9 H20 Cl Fe N3 O10 P3 Zn2 -","- C9 H19.9998 Cl Fe N3 O10 P3 Zn2 -","- C18 H39.9996 Cl2 Fe2 N6 O20 P6 Zn4 -","2","0.333333","","Liu, Sheng-Bo; Bao, Song-Song; Zheng, Li-Min","Polar layered coordination polymers incorporating triazacyclononane-triphosphonate metalloligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3758","3765","10.1039/c9dt03858b","","","0.71073","MoKα","","0.03","0.0284","","","0.0679","0.0688","","","","","","1.008","","","","has coordinates","250323","2020-10-21","18:00:00",""
"7701872","20.3105","0.0015","7.729","0.0006","11.2903","0.0009","90","","90","","90","","1772.3","0.2","193","2","193","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C9 H25 Co N3 O12 P3 Zn -","- C9 H25 Co N3 O12 P3 Zn -","- C36 H100 Co4 N12 O48 P12 Zn4 -","4","1","","Liu, Sheng-Bo; Bao, Song-Song; Zheng, Li-Min","Polar layered coordination polymers incorporating triazacyclononane-triphosphonate metalloligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3758","3765","10.1039/c9dt03858b","","","1.34138","GaKα","","0.0675","0.0531","","","0.135","0.1489","","","","","","1.007","","","","has coordinates","250323","2020-10-21","18:00:00",""
"7701884","27.848","0.002","11.667","0.003","19.101","0.003","90","","100.373","0.005","90","","6104.5","1.9","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H19 N2 O18 Re2 -","- C28 H19 N2 O18 Re2 -","- C224 H152 N16 O144 Re16 -","8","1","","Gantsho, Verity Lindy; Dotou, Mazzarine; Jakubaszek, Marta; Goud, Bruno; Gasser, Gilles; Visser, Hendrik Gideon; Schutte-Smith, Marietjie","Synthesis, characterization, kinetic investigation and biological evaluation of Re(i) di- and tricarbonyl complexes with tertiary phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","35","46","10.1039/c9dt04025k","","","0.71069","MoKα","","0.0268","0.022","","","0.0565","0.0592","","","","","","1.043","","","","has coordinates","247703","2020-10-21","18:00:00",""
"7701885","8.6218","0.0012","11.812","0.0017","14.112","0.002","75.594","0.005","77.006","0.005","82.534","0.005","1352.2","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H19 Cl2 N O4 P Re -","- C30 H19 Cl2 N O4 P Re -","- C60 H38 Cl4 N2 O8 P2 Re2 -","2","1","","Gantsho, Verity Lindy; Dotou, Mazzarine; Jakubaszek, Marta; Goud, Bruno; Gasser, Gilles; Visser, Hendrik Gideon; Schutte-Smith, Marietjie","Synthesis, characterization, kinetic investigation and biological evaluation of Re(i) di- and tricarbonyl complexes with tertiary phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","35","46","10.1039/c9dt04025k","","","0.71073","MoKα","","0.0282","0.0224","","","0.0475","0.0496","","","","","","1.079","","","","has coordinates","247703","2020-10-21","18:00:00",""
"7701886","11.144","0.002","14.985","0.003","16.723","0.003","66.491","0.003","72.612","0.006","75.94","0.006","2419.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H51 O4 P2 Re -","- C59 H51 O4 P2 Re -","- C118 H102 O8 P4 Re2 -","2","1","","Gantsho, Verity Lindy; Dotou, Mazzarine; Jakubaszek, Marta; Goud, Bruno; Gasser, Gilles; Visser, Hendrik Gideon; Schutte-Smith, Marietjie","Synthesis, characterization, kinetic investigation and biological evaluation of Re(i) di- and tricarbonyl complexes with tertiary phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","35","46","10.1039/c9dt04025k","","","0.71069","MoKα","","0.0301","0.0254","","","0.0568","0.0591","","","","","","1.101","","","","has coordinates,has disorder","247703","2020-10-21","18:00:00",""
"7701887","24.97","0.002","9.701","0.001","22.139","0.002","90","","93.355","0.005","90","","5353.6","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H21 N O4 P Re -","- C30 H21 N O4 P Re -","- C240 H168 N8 O32 P8 Re8 -","8","1","","Gantsho, Verity Lindy; Dotou, Mazzarine; Jakubaszek, Marta; Goud, Bruno; Gasser, Gilles; Visser, Hendrik Gideon; Schutte-Smith, Marietjie","Synthesis, characterization, kinetic investigation and biological evaluation of Re(i) di- and tricarbonyl complexes with tertiary phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","35","46","10.1039/c9dt04025k","","","0.71069","MoKα","","0.0241","0.0208","","","0.0591","0.0622","","","","","","1.105","","","","has coordinates","247703","2020-10-21","18:00:00",""
"7701888","7.5475","0.0001","18.8361","0.0002","14.6355","0.0002","90","","101.684","0.0005","90","","2037.55","0.04","200","","200","","","","","","","","?","8","P 1 21/a 1","-P 2yab","14","","","","- C14 H19 B Cl2 Mo N4 O2 S2 -","- C14 H19 B Cl2 Mo N4 O2 S2 -","- C56 H76 B4 Cl8 Mo4 N16 O8 S8 -","4","1","","Abernethy, Robyn J.; Foreman, Mark R St-J; Hill, Anthony F.; Smith, Matthew K.; Willis, Anthony C.","Relative hemilabilities of H<sub>2</sub>B(az)<sub>2</sub> (az = pyrazolyl, dimethylpyrazolyl, methimazolyl) chelates in the complexes [M(η-C<sub>3</sub>H<sub>5</sub>)(CO)<sub>2</sub>{H<sub>2</sub>B(az)<sub>2</sub>}] (M = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2020","49","3","781","796","10.1039/c9dt03744f","","","0.71073","MoKα","","","0.0334","","","","0.0368","","","","","","0.9712","","","","has coordinates","247752","2020-10-21","18:00:00",""
"7701889","14.288","0.01","7.823","0.01","15.337","0.01","90","","101.241","0.01","90","","1681","3","200","2","200","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C14 H17 B N6 O2 W -","- C14 H17 B N6 O2 W -","- C56 H68 B4 N24 O8 W4 -","4","1","","Abernethy, Robyn J.; Foreman, Mark R St-J; Hill, Anthony F.; Smith, Matthew K.; Willis, Anthony C.","Relative hemilabilities of H<sub>2</sub>B(az)<sub>2</sub> (az = pyrazolyl, dimethylpyrazolyl, methimazolyl) chelates in the complexes [M(η-C<sub>3</sub>H<sub>5</sub>)(CO)<sub>2</sub>{H<sub>2</sub>B(az)<sub>2</sub>}] (M = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2020","49","3","781","796","10.1039/c9dt03744f","","","0.71073","MoKα","","0.0331","0.028","","","0.0686","0.0719","","","","","","1.044","","","","has coordinates","247752","2020-10-21","18:00:00",""
"7701890","15.393","0.003","8.752","0.0018","15.767","0.003","90","","91.46","0.03","90","","2123.4","0.7","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 B Mo N4 O2 P -","- C19 H24 B Mo N4 O2 P -","- C76 H96 B4 Mo4 N16 O8 P4 -","4","1","","Abernethy, Robyn J.; Foreman, Mark R St-J; Hill, Anthony F.; Smith, Matthew K.; Willis, Anthony C.","Relative hemilabilities of H<sub>2</sub>B(az)<sub>2</sub> (az = pyrazolyl, dimethylpyrazolyl, methimazolyl) chelates in the complexes [M(η-C<sub>3</sub>H<sub>5</sub>)(CO)<sub>2</sub>{H<sub>2</sub>B(az)<sub>2</sub>}] (M = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2020","49","3","781","796","10.1039/c9dt03744f","","","0.71073","MoKα","","0.0359","0.0265","","","0.0631","0.0672","","","","","","1.024","","","","has coordinates","247752","2020-10-21","18:00:00",""
"7701891","7.5455","0.0001","18.7786","0.0004","14.5838","0.0003","90","","101.486","0.0008","90","","2025.05","0.07","200","","200","","","","","","","","?","8","P 1 21/a 1","-P 2yab","14","","","","- C14 H19 B Cl2 N4 O2 S2 W -","- C14 H19 B Cl2 N4 O2 S2 W -","- C56 H76 B4 Cl8 N16 O8 S8 W4 -","4","1","","Abernethy, Robyn J.; Foreman, Mark R St-J; Hill, Anthony F.; Smith, Matthew K.; Willis, Anthony C.","Relative hemilabilities of H<sub>2</sub>B(az)<sub>2</sub> (az = pyrazolyl, dimethylpyrazolyl, methimazolyl) chelates in the complexes [M(η-C<sub>3</sub>H<sub>5</sub>)(CO)<sub>2</sub>{H<sub>2</sub>B(az)<sub>2</sub>}] (M = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2020","49","3","781","796","10.1039/c9dt03744f","","","0.71073","MoKα","","","0.0299","","","","0.0339","","","","","","1.0663","","","","has coordinates","247752","2020-10-21","18:00:00",""
"7701892","10.234","0.0001","14.69","0.0002","18.1384","0.0002","90","","100.384","0.0006","90","","2682.22","0.05","200","","200","","","","","","","","?","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 B Mo N4 O2 P -","- C29 H28 B Mo N4 O2 P -","- C116 H112 B4 Mo4 N16 O8 P4 -","4","1","","Abernethy, Robyn J.; Foreman, Mark R St-J; Hill, Anthony F.; Smith, Matthew K.; Willis, Anthony C.","Relative hemilabilities of H<sub>2</sub>B(az)<sub>2</sub> (az = pyrazolyl, dimethylpyrazolyl, methimazolyl) chelates in the complexes [M(η-C<sub>3</sub>H<sub>5</sub>)(CO)<sub>2</sub>{H<sub>2</sub>B(az)<sub>2</sub>}] (M = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2020","49","3","781","796","10.1039/c9dt03744f","","","0.71073","MoKα","","","0.0213","","","","0.0236","","","","","","1.0861","","","","has coordinates","247752","2020-10-21","18:00:00",""
"7701961","9.874","0.0004","13.5904","0.0005","14.8719","0.0006","62.868","0.004","73.368","0.003","78.772","0.003","1696.94","0.13","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H52 Cu N2 O2 -","- C36 H52 Cu N2 O2 -","- C72 H104 Cu2 N4 O4 -","2","2","","Sampani, Stavroula I.; Zdorichenko, Victor; Danopoulou, Marianna; Leech, Matthew C.; Lam, Kevin; Abdul-Sada, Alaa; Cox, Brian; Tizzard, Graham J.; Coles, Simon J.; Tsipis, Athanassios; Kostakis, George E.","Shedding light on the use of Cu(ii)-salen complexes in the A<sup>3</sup> coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","289","299","10.1039/c9dt04146j","","x-ray","0.71075","MoKα","K-L~3~","0.1108","0.0655","","","0.1097","0.1276","","","","","","1.014","","","","has coordinates","247731","2020-10-21","18:00:00",""
"7701962","9.8853","0.0002","13.5954","0.0003","14.878","0.0002","62.868","0.002","73.374","0.002","78.798","0.002","1700.32","0.07","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H52 Cu N2 O2 -","- C36 H52 Cu N2 O2 -","- C72 H104 Cu2 N4 O4 -","2","2","","Sampani, Stavroula I.; Zdorichenko, Victor; Danopoulou, Marianna; Leech, Matthew C.; Lam, Kevin; Abdul-Sada, Alaa; Cox, Brian; Tizzard, Graham J.; Coles, Simon J.; Tsipis, Athanassios; Kostakis, George E.","Shedding light on the use of Cu(ii)-salen complexes in the A<sup>3</sup> coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","289","299","10.1039/c9dt04146j","","x-ray","1.54184","CuKα","","0.0687","0.0645","","","0.1669","0.1711","","","","","","1.008","","","","has coordinates","247731","2020-10-21","18:00:00",""
"7701963","7.5222","0.0006","9.2463","0.0007","16.0762","0.0012","75.104","0.002","89.593","0.002","79.724","0.002","1062.35","0.14","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Cl2 Hg N4 O -","- C22 H16 Cl2 Hg N4 O -","- C44 H32 Cl4 Hg2 N8 O2 -","2","1","","Gharami, Saswati; Aich, Krishnendu; Ghosh, Paramita; Patra, Lakshman; Murmu, Nabendu; Mondal, Tapan K.","A fluorescent ""ON-OFF-ON"" switch for the selective and sequential detection of Hg<sup>2+</sup> and I<sup>-</sup> with applications in imaging using human AGS gastric cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","187","195","10.1039/c9dt04245h","","","0.71073","MoKα","","0.02","0.0179","","","0.0428","0.044","","","","","","1.012","","","","has coordinates","247698","2020-10-21","18:00:00",""
"7701979","29.6331","0.0016","17.9626","0.0009","12.3339","0.0007","90","","90","","90","","6565.2","0.6","286","2","286.23","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H50 N7 O40 P W11 Zn -","- C34 H50 N7 O40 P W11 Zn -","- C136 H200 N28 O160 P4 W44 Zn4 -","4","0.5","","Li, Li; Zou, Yong-Cun; Hua, Yang; Li, Xiao-Nan; Wang, Zhi-Hui; Zhang, Hong","Polyoxometalate-viologen photochromic hybrids for rapid solar ultraviolet light detection, photoluminescence-based UV probing and inkless and erasable printing.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","89","94","10.1039/c9dt04116h","","","0.71073","MoKα","","0.092","0.0474","","","0.0985","0.1189","","","","","","1.023","","","","has coordinates,has disorder","247700","2020-10-21","18:00:00",""
"7701980","20.271","0.0013","20.3406","0.0013","20.3665","0.0013","93.793","0.001","98.118","0.001","96.535","0.001","8230.5","0.9","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C219 H230 Mn9 N64 O22 W6 -","- C219 H230 Mn9 N64 O22 W6 -","- C219 H230 Mn9 N64 O22 W6 -","1","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Konieczny, Piotr; Baran, Stanisław; Kubicki, Maciej; Korzeniak, Tomasz; Podgajny, Robert","Bulky ligands shape the separation between the large spin carriers to condition field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","300","311","10.1039/c9dt03903a","","","0.71073","MoKα","","0.0844","0.0501","","","0.1242","0.1433","","","","","","1.019","","","","has coordinates,has disorder","247728","2020-10-21","18:00:00",""
"7701981","16.0808","0.001","20.4138","0.001","20.5125","0.0013","82.386","0.005","74.694","0.005","86.907","0.004","6436.3","0.7","100","1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C222 H280 Mn9 N64 O14 W6 -","- C222 H280 Mn9 N64 O14 W6 -","- C222 H280 Mn9 N64 O14 W6 -","1","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Konieczny, Piotr; Baran, Stanisław; Kubicki, Maciej; Korzeniak, Tomasz; Podgajny, Robert","Bulky ligands shape the separation between the large spin carriers to condition field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","300","311","10.1039/c9dt03903a","","","0.71073","MoKα","","0.1187","0.0667","","","0.1166","0.1318","","","","","","1.09","","","","has coordinates","247728","2020-10-21","18:00:00",""
"7701982","24.8236","0.0009","25.1491","0.0008","25.8948","0.0009","89.004","0.001","83.01","0.001","87.211","0.001","16025.7","1","117","2","117","","","","","","","","","6","P -1","-P 1","2","","","","- C277 H159 Mn9 N64 O43 W6 -","- C277 H159 Mn9 N64 O43 W6 -","- C554 H318 Mn18 N128 O86 W12 -","2","1","","Kobylarczyk, Jedrzej; Liberka, Michal; Konieczny, Piotr; Baran, Stanisław; Kubicki, Maciej; Korzeniak, Tomasz; Podgajny, Robert","Bulky ligands shape the separation between the large spin carriers to condition field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","300","311","10.1039/c9dt03903a","","","0.71073","MoKα","","0.0943","0.0553","","","0.1234","0.1397","","","","","","1.014","","","","has coordinates,has disorder","247728","2020-10-21","18:00:00",""
"7701989","12.784","0.0005","18.6105","0.0008","16.2525","0.0006","90","","103.625","0.002","90","","3757.9","0.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H49 N2 Ni P Si -","- C41 H49 N2 Ni P Si -","- C164 H196 N8 Ni4 P4 Si4 -","4","1","","Santiago, Tomás G; Urbaneja, Carmen; Álvarez, Eleuterio; Ávila, Elena; Palma, Pilar; Cámpora, Juan","Neutral, cationic and anionic organonickel and -palladium complexes supported by iminophosphine/phosphinoenaminato ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","322","335","10.1039/c9dt04062e","","","0.71073","MoKα","","0.0463","0.0327","","","0.0796","0.0869","","","","","","1.021","","","","has coordinates","247733","2020-10-21","18:00:00",""
"7701990","9.9701","0.0002","14.6823","0.0003","12.4003","0.0003","90","","108.994","0.001","90","","1716.37","0.07","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H41 Br N Ni O P -","- C40 H41 Br N Ni O P -","- C80 H82 Br2 N2 Ni2 O2 P2 -","2","1","","Santiago, Tomás G; Urbaneja, Carmen; Álvarez, Eleuterio; Ávila, Elena; Palma, Pilar; Cámpora, Juan","Neutral, cationic and anionic organonickel and -palladium complexes supported by iminophosphine/phosphinoenaminato ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","322","335","10.1039/c9dt04062e","","","0.71073","MoKα","","0.0269","0.0236","","","0.0549","0.056","","","","","","1.01","","","","has coordinates","247733","2020-10-21","18:00:00",""
"7701991","11.604","0.006","12.092","0.007","18.006","0.01","82.74","0.03","75.53","0.02","64.7","0.03","2211","2","253","2","253","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H126 N2 Na2 Ni2 O8 P2 -","- C84 H126 N2 Na2 Ni2 O8 P2 -","- C84 H126 N2 Na2 Ni2 O8 P2 -","1","0.5","","Santiago, Tomás G; Urbaneja, Carmen; Álvarez, Eleuterio; Ávila, Elena; Palma, Pilar; Cámpora, Juan","Neutral, cationic and anionic organonickel and -palladium complexes supported by iminophosphine/phosphinoenaminato ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","322","335","10.1039/c9dt04062e","","","0.71073","MoKα","","0.1043","0.0512","","","0.1307","0.1564","","","","","","0.979","","","","has coordinates,has disorder","247733","2020-10-21","18:00:00",""
"7701992","10.8549","0.0005","12.204","0.0006","18.5076","0.0009","96.275","0.002","94.927","0.002","94.771","0.002","2417.4","0.2","193","2","193","2","","","","","","","","10","P -1","-P 1","2","","","","- C43 H52 Cl2 F3 N2 Ni O3 P S Si -","- C43 H52 Cl2 F3 N2 Ni O3 P S Si -","- C86 H104 Cl4 F6 N4 Ni2 O6 P2 S2 Si2 -","2","1","","Santiago, Tomás G; Urbaneja, Carmen; Álvarez, Eleuterio; Ávila, Elena; Palma, Pilar; Cámpora, Juan","Neutral, cationic and anionic organonickel and -palladium complexes supported by iminophosphine/phosphinoenaminato ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","322","335","10.1039/c9dt04062e","","","0.71073","MoKα","","0.0591","0.0426","","","0.1171","0.1268","","","","","","1.057","","","","has coordinates,has disorder","247733","2020-10-21","18:00:00",""
"7701993","12.8081","0.0015","22.863","0.003","14.9029","0.0018","90","","98.384","0.003","90","","4317.4","0.9","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H60 N O2 P Pd Si2 -","- C42 H60 N O2 P Pd Si2 -","- C168 H240 N4 O8 P4 Pd4 Si8 -","4","1","","Santiago, Tomás G; Urbaneja, Carmen; Álvarez, Eleuterio; Ávila, Elena; Palma, Pilar; Cámpora, Juan","Neutral, cationic and anionic organonickel and -palladium complexes supported by iminophosphine/phosphinoenaminato ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","322","335","10.1039/c9dt04062e","","","0.71073","MoKα","","0.1306","0.0951","","","0.249","0.2801","","","","","","1.086","","","","has coordinates","247733","2020-10-21","18:00:00",""
"7701999","8.1837","0.0008","9.2427","0.001","30.229","0.003","90","","90","","90","","2286.5","0.4","237","80","237","80","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2.419 H1.86 Br0.186 N0.186 O0.186 -","- C2.4186 H1.86047 Br0.186047 N0.186047 O0.186047 -","- C104 H80 Br8 N8 O8 -","43","5.375","","Yadav, Deepika; Awasthi, Satish Kumar","An unsymmetrical covalent organic polymer for catalytic amide synthesis.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","179","186","10.1039/c9dt03931g","","x-ray","0.71073","MoKα","","0.0817","0.0505","","","0.1324","0.1584","","","","","","0.8854","","","","has coordinates","247696","2020-10-21","18:00:00",""
"7702000","12.5248","0.0005","15.1903","0.0006","17.3439","0.0005","96.529","0.003","108.041","0.002","106.308","0.003","2937.6","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H54 B3 F15 N9 Sc -","- C59 H54 B3 F15 N9 Sc -","- C118 H108 B6 F30 N18 Sc2 -","2","1","","Beh, Daniel W.; Piers, Warren E.; Gelfand, Benjamin S.; Lin, Jian-Bin","Tandem deoxygenative hydrosilation of carbon dioxide with a cationic scandium hydridoborate and B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","95","101","10.1039/c9dt04323c","","","1.54178","CuKα","","0.0418","0.0385","","","0.1062","0.1098","","","","","","1.025","","","","has coordinates,has disorder","247704","2020-10-21","18:00:00",""
"7702001","12.6144","0.0004","13.6594","0.0005","21.945","0.0008","90","","99.015","0.002","90","","3734.5","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H44 B2 N9 O Sc Si -","- C37 H44 B2 N9 O Sc Si -","- C148 H176 B8 N36 O4 Sc4 Si4 -","4","1","","Beh, Daniel W.; Piers, Warren E.; Gelfand, Benjamin S.; Lin, Jian-Bin","Tandem deoxygenative hydrosilation of carbon dioxide with a cationic scandium hydridoborate and B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","95","101","10.1039/c9dt04323c","","","0.71073","MoKα","","0.0641","0.0434","","","0.1004","0.1119","","","","","","1.021","","","","has coordinates","247704","2020-10-21","18:00:00",""
"7702002","17.2598","0.0009","17.7327","0.001","19.0548","0.0014","74.561","0.005","77.281","0.005","61.891","0.004","4927.6","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C104 H83 B5 Cl F15 N18 Sc2 -","- C104 H83 B5 Cl F15 N18 Sc2 -","- C208 H166 B10 Cl2 F30 N36 Sc4 -","2","1","","Beh, Daniel W.; Piers, Warren E.; Gelfand, Benjamin S.; Lin, Jian-Bin","Tandem deoxygenative hydrosilation of carbon dioxide with a cationic scandium hydridoborate and B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","95","101","10.1039/c9dt04323c","","","1.54178","CuKα","","0.1649","0.1175","","","0.306","0.3654","","","","","","1.059","","","","has coordinates,has disorder","247704","2020-10-21","18:00:00",""
"7702003","12.552","0.005","13.862","0.005","18.123","0.008","105.43","0.011","94.261","0.012","115.595","0.008","2675.7","1.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H40 B3 F15 N9 O Sc -","- C54 H40 B3 F15 N9 O Sc -","- C108 H80 B6 F30 N18 O2 Sc2 -","2","1","","Beh, Daniel W.; Piers, Warren E.; Gelfand, Benjamin S.; Lin, Jian-Bin","Tandem deoxygenative hydrosilation of carbon dioxide with a cationic scandium hydridoborate and B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","95","101","10.1039/c9dt04323c","","","0.71073","MoKα","","0.1721","0.067","","","0.1608","0.2176","","","","","","1.007","","","","has coordinates","247704","2020-10-21","18:00:00",""
"7702264","19.23","0.03","11.675","0.016","13.206","0.018","90","","94.67","0.03","90","","2955","7","296","2","296.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H20 Cu6 Mo2 N15 O18 -","- C10 H20 Cu6 Mo2 N15 O18 -","- C40 H80 Cu24 Mo8 N60 O72 -","4","0.5","","Zhu, Peipei; Yang, Xiya; Li, Xiao; Sheng, Ning; Zhang, Haifeng; Zhang, Gongguo; Sha, Jingquan","Insights into the lithium diffusion process in a defect-containing porous crystalline POM@MOF anode material.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","79","88","10.1039/c9dt04163j","","","0.71073","MoKα","","0.0845","0.0485","","","0.1135","0.1362","","","","","","0.965","","","","has coordinates,has disorder","247701","2020-10-21","18:00:00",""
"7702265","24.832","0.0008","7.2057","0.0003","12.0342","0.0004","90","","108.753","0.001","90","","2038.99","0.13","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 N3 O -","- C12 H9 N3 O -","- C96 H72 N24 O8 -","8","1","","Moro, Artur J.; Avó, João; Malfois, Marc; Zaccaria, Francesco; Fonseca Guerra, Célia; Caparrós, Francisco J; Rodríguez, Laura; Lima, João Carlos","Aggregation induced emission of a new naphthyridine-ethynyl-gold(i) complex as a potential tool for sensing guanosine nucleotides in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","171","178","10.1039/c9dt04162a","","x-ray","0.71073","MoKα","","0.041","0.0351","","","0.0959","0.0986","","","","","","1.081","","","","has coordinates","247702","2020-10-21","18:00:00",""
"7702266","11.224","0.0003","30.3783","0.0007","12.4349","0.0004","90","","106.902","0.003","90","","4056.7","0.2","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22.5 H47 B20 N4 O7.5 S2 -","- C22.5 H47 B20 N4 O7.5 S2 -","- C90 H188 B80 N16 O30 S8 -","4","2","","Kellert, Martin; Hoppenz, Paul; Lönnecke, Peter; Worm, Dennis J.; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Tuning a modular system - synthesis and characterisation of a boron-rich s-triazine-based carboxylic acid and amine bearing a galactopyranosyl moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","57","69","10.1039/c9dt04031e","","","0.71073","MoKα","","0.0682","0.0452","","","0.0732","0.0801","","","","","","0.987","","","","has coordinates","247705","2020-10-21","18:00:00",""
"7702267","10.1885","0.0002","16.7541","0.0003","24.6831","0.0005","90","","90","","90","","4213.38","0.14","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H52 B20 N4 O7 S2 -","- C25 H52 B20 N4 O7 S2 -","- C100 H208 B80 N16 O28 S8 -","4","1","","Kellert, Martin; Hoppenz, Paul; Lönnecke, Peter; Worm, Dennis J.; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Tuning a modular system - synthesis and characterisation of a boron-rich s-triazine-based carboxylic acid and amine bearing a galactopyranosyl moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","57","69","10.1039/c9dt04031e","","","0.71073","MoKα","","0.0904","0.05","","","0.0754","0.0861","","","","","","1.015","","","","has coordinates","247705","2020-10-21","18:00:00",""
"7702268","11.0139","0.0002","22.1385","0.0003","11.3211","0.0002","90","","105.8","0.002","90","","2656.14","0.08","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H30 Cl2 N4 O7 -","- C21 H30 Cl2 N4 O7 -","- C84 H120 Cl8 N16 O28 -","4","2","","Kellert, Martin; Hoppenz, Paul; Lönnecke, Peter; Worm, Dennis J.; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Tuning a modular system - synthesis and characterisation of a boron-rich s-triazine-based carboxylic acid and amine bearing a galactopyranosyl moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","57","69","10.1039/c9dt04031e","","","0.71073","MoKα","","0.059","0.039","","","0.0649","0.0717","","","","","","1.021","","","","has coordinates","247705","2020-10-21","18:00:00",""
"7702269","7.131","0.0003","18.8979","0.0006","16.5178","0.0005","90","","101.482","0.003","90","","2181.41","0.13","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H23 B10 Cl N4 O2 S -","- C11 H23 B10 Cl N4 O2 S -","- C44 H92 B40 Cl4 N16 O8 S4 -","4","1","","Kellert, Martin; Hoppenz, Paul; Lönnecke, Peter; Worm, Dennis J.; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Tuning a modular system - synthesis and characterisation of a boron-rich s-triazine-based carboxylic acid and amine bearing a galactopyranosyl moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","57","69","10.1039/c9dt04031e","","","0.71073","MoKα","","0.0941","0.0518","","","0.0964","0.1101","","","","","","1.028","","","","has coordinates","247705","2020-10-21","18:00:00",""
"7702270","6.724","0.0002","19.0579","0.0005","21.7211","0.0006","90","","98.581","0.002","90","","2752.3","0.13","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H34 B20 N4 S2 -","- C12 H34 B20 N4 S2 -","- C48 H136 B80 N16 S8 -","4","1","","Kellert, Martin; Hoppenz, Paul; Lönnecke, Peter; Worm, Dennis J.; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Tuning a modular system - synthesis and characterisation of a boron-rich s-triazine-based carboxylic acid and amine bearing a galactopyranosyl moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","57","69","10.1039/c9dt04031e","","","0.71073","MoKα","","0.1068","0.0651","","","0.1217","0.1345","","","","","","1.1","","","","has coordinates","247705","2020-10-21","18:00:00",""
"7702271","22.3591","0.0007","13.4447","0.0003","25.4062","0.0008","90","","102.651","0.003","90","","7452","0.4","130","2","130","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C14.25 H35.25 B20 Cl3.75 N4 O2 S2 -","- C14.25 H35.25 B20 Cl3.75 N4 O2 S2 -","- C114 H282 B160 Cl30 N32 O16 S16 -","8","2","","Kellert, Martin; Hoppenz, Paul; Lönnecke, Peter; Worm, Dennis J.; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Tuning a modular system - synthesis and characterisation of a boron-rich s-triazine-based carboxylic acid and amine bearing a galactopyranosyl moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","57","69","10.1039/c9dt04031e","","","0.71073","MoKα","","0.1813","0.0814","","","0.1792","0.2268","","","","","","1.015","","","","has coordinates,has disorder","247705","2020-10-21","18:00:00",""
"7702272","11.9441","0.0002","11.0847","0.0002","13.608","0.0003","90","","103.622","0.002","90","","1750.98","0.06","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H41 B10 Cl N4 O7 S -","- C23 H41 B10 Cl N4 O7 S -","- C46 H82 B20 Cl2 N8 O14 S2 -","2","1","","Kellert, Martin; Hoppenz, Paul; Lönnecke, Peter; Worm, Dennis J.; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Tuning a modular system - synthesis and characterisation of a boron-rich s-triazine-based carboxylic acid and amine bearing a galactopyranosyl moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","57","69","10.1039/c9dt04031e","","","0.71073","MoKα","","0.0477","0.0383","","","0.0796","0.0847","","","","","","1.018","","","","has coordinates","247705","2020-10-21","18:00:00",""
"7702273","32.2382","0.0006","12.5464","0.0002","13.0872","0.0002","90","","104.795","0.002","90","","5117.92","0.16","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H27 B20 N5 S2 -","- C9 H27 B20 N5 S2 -","- C72 H216 B160 N40 S16 -","8","1","","Kellert, Martin; Hoppenz, Paul; Lönnecke, Peter; Worm, Dennis J.; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Tuning a modular system - synthesis and characterisation of a boron-rich s-triazine-based carboxylic acid and amine bearing a galactopyranosyl moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","57","69","10.1039/c9dt04031e","","","0.71073","MoKα","","0.0787","0.0507","","","0.1222","0.1362","","","","","","1.017","","","","has coordinates","247705","2020-10-21","18:00:00",""
"7702274","10.1778","0.0002","15.1347","0.0003","30.2402","0.0007","90.93","0.002","94.117","0.002","99.725","0.002","4577.45","0.17","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C72 H123 Cd11 Fe12 K5 O174 Sb18 -","- C72 H40 Cd11 Fe12 K5 O174 Sb18 -","- C72 H40 Cd11 Fe12 K5 O174 Sb18 -","1","1","","Ma, Wen; Hu, Bing; Jing, Kaiqiang; Li, Zhong; Jin, Jiance; Zheng, Shoutian; Huang, Xiaoying","Proton-conducting layered structures based on transition metal oxo-clusters supported by Sb(iii) tartrate scaffolds.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3849","3855","10.1039/c9dt04333k","","","0.71073","MoKα","","0.0662","0.0522","","","0.1032","0.111","","","","","","1.082","","","","has coordinates,has disorder","250322","2020-10-21","18:00:00",""
"7702275","15.259","0.005","18.985","0.006","21.31","0.007","90","","90","","90","","6173","3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H49 Cd2 Co4 O60 Sb7 -","- C24 H12 Cd2 Co4 O60 Sb7 -","- C96 H48 Cd8 Co16 O240 Sb28 -","4","1","","Ma, Wen; Hu, Bing; Jing, Kaiqiang; Li, Zhong; Jin, Jiance; Zheng, Shoutian; Huang, Xiaoying","Proton-conducting layered structures based on transition metal oxo-clusters supported by Sb(iii) tartrate scaffolds.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3849","3855","10.1039/c9dt04333k","","","0.71073","MoKα","","0.0618","0.056","","","0.125","0.1288","","","","","","1.043","","","","has coordinates,has disorder","250322","2020-10-21","18:00:00",""
"7702276","12.9313","0.0009","13.4857","0.0009","20.2019","0.0014","83.02","0.001","78.182","0.001","75.176","0.001","3324.6","0.4","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C19 H41 K2 N3 O50 P Sm W11 -","- C19 H41 K2 N3 O50 P Sm W11 -","- C38 H82 K4 N6 O100 P2 Sm2 W22 -","2","1","","Wu, Hechen; Yan, Bing; Liang, Rongchang; Singh, Vikram; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","An organic chromophore -modified samarium-containing polyoxometalate: excitation-dependent color tunable behavior from the organic chromophores to the lanthanide ion.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","388","394","10.1039/c9dt03681d","","","0.71073","MoKα","","0.065","0.0444","","","0.1015","0.1121","","","","","","1.002","","","","has coordinates","247732","2020-10-21","18:00:00",""
"7702277","17.5657","0.0015","16.2635","0.0016","17.7642","0.0017","90","","118.227","0.012","90","","4471.4","0.9","170","0.1","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H55 Cl2 Fe N3 -","- C42 H55 Cl2 Fe N3 -","- C168 H220 Cl8 Fe4 N12 -","4","1","","Guo, Jingjing; Zhang, Wenjuan; Oleynik, Ivan I.; Solan, Gregory A.; Oleynik, Irina V.; Liang, Tongling; Sun, Wen-Hua","Probing the effect of ortho-cycloalkyl ring size on activity and thermostability in cycloheptyl-fused N,N,N-iron ethylene polymerization catalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","136","146","10.1039/c9dt04325j","","","0.71073","MoKα","","0.191","0.095","","","0.2562","0.313","","","","","","0.987","","","","has coordinates,has disorder","247697","2020-10-21","18:00:00",""
"7702278","14.004","0.002","16.1859","0.0011","18.7893","0.0014","90","","110.961","0.012","90","","3977.1","0.8","169.99","0.12","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H59 Cl2 Fe N3 -","- C44 H59 Cl2 Fe N3 -","- C176 H236 Cl8 Fe4 N12 -","4","1","","Guo, Jingjing; Zhang, Wenjuan; Oleynik, Ivan I.; Solan, Gregory A.; Oleynik, Irina V.; Liang, Tongling; Sun, Wen-Hua","Probing the effect of ortho-cycloalkyl ring size on activity and thermostability in cycloheptyl-fused N,N,N-iron ethylene polymerization catalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","136","146","10.1039/c9dt04325j","","","1.54184","CuKα","","0.2279","0.0895","","","0.236","0.3247","","","","","","0.978","","","","has coordinates,has disorder","247697","2020-10-21","18:00:00",""
"7702280","11.171","0.0013","15.5751","0.0019","26.121","0.003","90","","102.316","0.007","90","","4440.2","0.9","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C93 H132 Mg4 N4 O8 -","- C93 H132 Mg4 N4 O8 -","- C186 H264 Mg8 N8 O16 -","2","1","","Ghosh, Swarup; Wölper, Christoph; Tjaberings, Alexander; Gröschel, André H; Schulz, Stephan","Syntheses, structures and catalytic activity of tetranuclear Mg complexes in the ROP of cyclic esters under industrially relevant conditions.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","375","387","10.1039/c9dt04359d","","","0.71073","MoKα","","0.1564","0.0817","","","0.1634","0.1992","","","","","","1.027","","","","has coordinates","247727","2020-10-21","18:00:00",""
"7702281","11.1387","0.0007","20.399","0.0013","17.5736","0.0011","90","","91.793","0.004","90","","3991.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H124 Mg4 N4 O14 -","- C80 H124 Mg4 N4 O14 -","- C160 H248 Mg8 N8 O28 -","2","0.5","","Ghosh, Swarup; Wölper, Christoph; Tjaberings, Alexander; Gröschel, André H; Schulz, Stephan","Syntheses, structures and catalytic activity of tetranuclear Mg complexes in the ROP of cyclic esters under industrially relevant conditions.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","375","387","10.1039/c9dt04359d","","","0.71073","MoKα","","0.1107","0.0578","","","0.1314","0.16","","","","","","1.055","","","","has coordinates,has disorder","247727","2020-10-21","18:00:00",""
"7702282","14.691","0.0013","21.9463","0.0018","22.837","0.0018","90","","90","","90","","7362.9","1.1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C64 H84 Br8 Mg4 N4 O14 -","- C64 H84 Br8 Mg4 N4 O14 -","- C256 H336 Br32 Mg16 N16 O56 -","4","1","","Ghosh, Swarup; Wölper, Christoph; Tjaberings, Alexander; Gröschel, André H; Schulz, Stephan","Syntheses, structures and catalytic activity of tetranuclear Mg complexes in the ROP of cyclic esters under industrially relevant conditions.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","375","387","10.1039/c9dt04359d","","","0.71073","MoKα","","0.0927","0.0455","","","0.0922","0.1033","","","","","","1.037","","","","has coordinates,has disorder","247727","2020-10-21","18:00:00",""
"7702283","15.6933","0.0009","15.6933","0.0009","28.4979","0.0019","90","","90","","90","","7018.5","0.7","100","2","100","2","","","","","","","","6","P 43","P 4cw","78","","","","- C64 H84 Cl8 Mg4 N4 O14 -","- C64 H83.996 Cl8 Mg4 N4 O13.999 -","- C256 H335.984 Cl32 Mg16 N16 O55.996 -","4","1","","Ghosh, Swarup; Wölper, Christoph; Tjaberings, Alexander; Gröschel, André H; Schulz, Stephan","Syntheses, structures and catalytic activity of tetranuclear Mg complexes in the ROP of cyclic esters under industrially relevant conditions.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","375","387","10.1039/c9dt04359d","","","0.71073","MoKα","","0.0709","0.0488","","","0.1132","0.1262","","","","","","1.027","","","","has coordinates,has disorder","247727","2020-10-21","18:00:00",""
"7702284","16.837","0.003","17.611","0.003","14.61","0.003","90","","108.39","0.002","90","","4110.9","1.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cl6 Ir N7 -","- C42 H36 Cl6 Ir N7 -","- C168 H144 Cl24 Ir4 N28 -","4","1","","Mu, Ge; Wen, Zhili; Wu, Judy I-Chia; Teets, Thomas S.","Azo-triazolide bis-cyclometalated Ir(iii) complexes via cyclization of 3-cyanodiarylformazanate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3775","3785","10.1039/c9dt03914g","","","0.71073","MoKα","","0.0338","0.0305","","","0.083","0.0879","","","","","","1.05","","","","has coordinates,has disorder","250320","2020-10-21","18:00:00",""
"7702285","15.0406","0.0011","13.7393","0.001","18.9988","0.0014","90","","105.613","0.001","90","","3781.2","0.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H34 Ir N7 S2 -","- C44 H34 Ir N7 S2 -","- C176 H136 Ir4 N28 S8 -","4","1","","Mu, Ge; Wen, Zhili; Wu, Judy I-Chia; Teets, Thomas S.","Azo-triazolide bis-cyclometalated Ir(iii) complexes via cyclization of 3-cyanodiarylformazanate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3775","3785","10.1039/c9dt03914g","","","0.71073","MoKα","","0.0246","0.0205","","","0.0459","0.0473","","","","","","1.053","","","","has coordinates","250320","2020-10-21","18:00:00",""
"7702286","9.724","0.004","12.386","0.005","15.409","0.006","83.506","0.004","86.618","0.004","67.247","0.003","1700.2","1.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 F4 Ir N7 -","- C40 H30 F4 Ir N7 -","- C80 H60 F8 Ir2 N14 -","2","1","","Mu, Ge; Wen, Zhili; Wu, Judy I-Chia; Teets, Thomas S.","Azo-triazolide bis-cyclometalated Ir(iii) complexes via cyclization of 3-cyanodiarylformazanate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3775","3785","10.1039/c9dt03914g","","","0.71073","MoKα","","0.0468","0.0385","","","0.0825","0.0886","","","","","","1.054","","","","has coordinates","250320","2020-10-21","18:00:00",""
"7702904","10.4983","0.0006","30.2025","0.0016","16.589","0.0009","90","","90","","90","","5260","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H16 Cu9 N24 O27 S2 -","- C12 H16 Cu9 N24 O27 S2 -","- C48 H64 Cu36 N96 O108 S8 -","4","0.5","","Sun, Wu-Juan; Li, Lei-Lei; Liu, Xiang-Yu; Liu, Shuang; Ke, Cong-Yu; Zhang, Qun-Zheng; Zhang, Xun-Li","A 3D Cu(ii) tetrazolate coordination polymer based on pentanuclear units with a large coercive field.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","651","658","10.1039/c9dt04113c","","","0.71073","MoKα","","0.0576","0.04","","","0.0972","0.1076","","","","","","1.035","","","","has coordinates","247754","2020-10-21","18:00:00",""
"7702905","10.4668","0.0006","15.9308","0.0008","23.1526","0.0012","90","","97.831","0.002","90","","3824.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 Mn N8 O8 -","- C41 H35 Mn N8 O8 -","- C164 H140 Mn4 N32 O32 -","4","1","","Wang, Kuaibing; Lv, Bo; Wang, Zikai; Wu, Hua; Xu, Jiangyan; Zhang, Qichun","Two-fold interpenetrated Mn-based metal-organic frameworks (MOFs) as battery-type electrode materials for charge storage.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","411","417","10.1039/c9dt04101j","","","0.71073","MoKα","","0.0433","0.0377","","","0.1046","0.1098","","","","","","1.033","","","","has coordinates","247729","2020-10-21","18:00:00",""
"7702906","25.618","0.008","15.931","0.005","23.064","0.007","90","","90.685","0.006","90","","9412","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H36 Mn N10 O7 -","- C51 H36 Mn N10 O7 -","- C408 H288 Mn8 N80 O56 -","8","1","","Wang, Kuaibing; Lv, Bo; Wang, Zikai; Wu, Hua; Xu, Jiangyan; Zhang, Qichun","Two-fold interpenetrated Mn-based metal-organic frameworks (MOFs) as battery-type electrode materials for charge storage.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","411","417","10.1039/c9dt04101j","","","0.71073","MoKα","","0.1249","0.0597","","","0.152","0.186","","","","","","1.024","","","","has coordinates","247729","2020-10-21","18:00:00",""
"7702921","9.8262","0.0006","20.0896","0.0013","19.7239","0.0012","90","","98.159","0.001","90","","3854.2","0.4","296","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 Cd N8 O14 -","- C38 H26 Cd N8 O14 -","- C152 H104 Cd4 N32 O56 -","4","1","","Liu, Guocheng; Li, Yan; Chi, Jie; Xu, Na; Wang, Xiuli; Lin, Hongyan; Chen, Baokuan; Li, Jianrong","Various Cd(ii) coordination polymers induced by carboxylates: multi-functional detection of Fe<sup>3+</sup>, anions, aspartic acids and bovine serum albumin.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","737","749","10.1039/c9dt04103f","","","0.71073","MoKα","","0.0763","0.0415","","","0.0895","0.1032","","","","","","0.993","","","","has coordinates","247734","2020-10-21","18:00:00",""
"7702922","16.0139","0.0006","11.7074","0.0004","16.6507","0.0005","90","","91.272","0.001","90","","3120.92","0.18","296","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H56 Cd2 N8 O16 -","- C64 H52 Cd2 N8 O16 -","- C128 H104 Cd4 N16 O32 -","2","1","","Liu, Guocheng; Li, Yan; Chi, Jie; Xu, Na; Wang, Xiuli; Lin, Hongyan; Chen, Baokuan; Li, Jianrong","Various Cd(ii) coordination polymers induced by carboxylates: multi-functional detection of Fe<sup>3+</sup>, anions, aspartic acids and bovine serum albumin.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","737","749","10.1039/c9dt04103f","","","0.71073","MoKα","","0.0531","0.041","","","0.0986","0.1088","","","","","","1.015","","","","has coordinates","247734","2020-10-21","18:00:00",""
"7702923","17.0348","0.0006","12.6283","0.0004","24.9682","0.0009","90","","90","","90","","5371.2","0.3","296","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H24 Cd N4 O8 -","- C29 H19 Cd N4 O8 -","- C232 H152 Cd8 N32 O64 -","8","1","","Liu, Guocheng; Li, Yan; Chi, Jie; Xu, Na; Wang, Xiuli; Lin, Hongyan; Chen, Baokuan; Li, Jianrong","Various Cd(ii) coordination polymers induced by carboxylates: multi-functional detection of Fe<sup>3+</sup>, anions, aspartic acids and bovine serum albumin.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","737","749","10.1039/c9dt04103f","","","0.71073","MoKα","","0.0541","0.0328","","","0.0826","0.0929","","","","","","1.022","","","","has coordinates","247734","2020-10-21","18:00:00",""
"7702924","10.1342","0.0004","16.9884","0.0007","18.0337","0.0007","90","","94.79","0.001","90","","3093.9","0.2","296","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cd N4 O9 -","- C32 H24 Cd N4 O9 -","- C128 H96 Cd4 N16 O36 -","4","1","","Liu, Guocheng; Li, Yan; Chi, Jie; Xu, Na; Wang, Xiuli; Lin, Hongyan; Chen, Baokuan; Li, Jianrong","Various Cd(ii) coordination polymers induced by carboxylates: multi-functional detection of Fe<sup>3+</sup>, anions, aspartic acids and bovine serum albumin.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","737","749","10.1039/c9dt04103f","","","0.71073","MoKα","","0.0738","0.0531","","","0.1388","0.1541","","","","","","1.022","","","","has coordinates","247734","2020-10-21","18:00:00",""
"7702925","10.3638","0.0004","15.7082","0.0005","18.7438","0.0007","90","","95.308","0.001","90","","3038.34","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 Cd N4 O7 -","- C33 H26 Cd N4 O7 -","- C132 H104 Cd4 N16 O28 -","4","1","","Liu, Guocheng; Li, Yan; Chi, Jie; Xu, Na; Wang, Xiuli; Lin, Hongyan; Chen, Baokuan; Li, Jianrong","Various Cd(ii) coordination polymers induced by carboxylates: multi-functional detection of Fe<sup>3+</sup>, anions, aspartic acids and bovine serum albumin.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","737","749","10.1039/c9dt04103f","","","0.71073","MoKα","","0.0468","0.0318","","","0.08","0.0876","","","","","","1.016","","","","has coordinates","247734","2020-10-21","18:00:00",""
"7702926","11.0284","0.0005","16.3787","0.0008","15.7857","0.0008","90","","93.132","0.001","90","","2847.1","0.2","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Cd N4 O6 -","- C32 H30 Cd N4 O6 -","- C128 H120 Cd4 N16 O24 -","4","1","","Liu, Guocheng; Li, Yan; Chi, Jie; Xu, Na; Wang, Xiuli; Lin, Hongyan; Chen, Baokuan; Li, Jianrong","Various Cd(ii) coordination polymers induced by carboxylates: multi-functional detection of Fe<sup>3+</sup>, anions, aspartic acids and bovine serum albumin.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","737","749","10.1039/c9dt04103f","","","0.71073","MoKα","","0.0518","0.0388","","","0.1015","0.1096","","","","","","1.025","","","","has coordinates","247734","2020-10-21","18:00:00",""
"7702933","9.3696","0.0001","15.1236","0.0002","18.3093","0.0002","90","","98.796","0.001","90","","2563.95","0.05","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H39 Cl2 O P Ru -","- C25 H39 Cl2 O P Ru -","- C100 H156 Cl8 O4 P4 Ru4 -","4","1","","González-Fernández, Rebeca; Crochet, Pascale; Cadierno, Victorio","Half-sandwich ruthenium(ii) complexes with tethered arene-phosphinite ligands: synthesis, structure and application in catalytic cross dehydrogenative coupling reactions of silanes and alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","210","222","10.1039/c9dt04421c","","","1.54184","CuKα","","0.0253","0.0216","","","0.0508","0.0528","","","","","","1.031","","","","has coordinates","247699","2020-10-21","18:00:00",""
"7702934","8.8108","0.0001","13.2483","0.0002","27.2268","0.0004","90","","90","","90","","3178.13","0.08","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H23 Cl2 O P Ru -","- C14 H23 Cl2 O P Ru -","- C112 H184 Cl16 O8 P8 Ru8 -","8","1","","González-Fernández, Rebeca; Crochet, Pascale; Cadierno, Victorio","Half-sandwich ruthenium(ii) complexes with tethered arene-phosphinite ligands: synthesis, structure and application in catalytic cross dehydrogenative coupling reactions of silanes and alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","210","222","10.1039/c9dt04421c","","","1.54184","CuKα","","0.0294","0.0262","","","0.0648","0.0673","","","","","","1.044","","","","has coordinates","247699","2020-10-21","18:00:00",""
"7702935","8.9634","0.0002","13.7539","0.0003","27.5","0.0006","90","","90","","90","","3390.25","0.13","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H25 Cl2 O P Ru -","- C15 H25 Cl2 O P Ru -","- C120 H200 Cl16 O8 P8 Ru8 -","8","1","","González-Fernández, Rebeca; Crochet, Pascale; Cadierno, Victorio","Half-sandwich ruthenium(ii) complexes with tethered arene-phosphinite ligands: synthesis, structure and application in catalytic cross dehydrogenative coupling reactions of silanes and alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","210","222","10.1039/c9dt04421c","","","1.54184","CuKα","","0.0324","0.0302","","","0.0892","0.0918","","","","","","1.118","","","","has coordinates","247699","2020-10-21","18:00:00",""
"7702936","7.2966","0.0003","7.6884","0.0003","15.4349","0.0006","85.087","0.003","81.257","0.004","62.338","0.004","757.89","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H21 Cl2 O P Ru -","- C13 H21 Cl2 O P Ru -","- C26 H42 Cl4 O2 P2 Ru2 -","2","1","","González-Fernández, Rebeca; Crochet, Pascale; Cadierno, Victorio","Half-sandwich ruthenium(ii) complexes with tethered arene-phosphinite ligands: synthesis, structure and application in catalytic cross dehydrogenative coupling reactions of silanes and alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","210","222","10.1039/c9dt04421c","","","1.54184","CuKα","","0.0517","0.0504","","","0.1375","0.1403","","","","","","1.064","","","","has coordinates","247699","2020-10-21","18:00:00",""
"7702937","9.1754","0.0005","13.2338","0.0014","14.3608","0.0014","91.0207","0.0017","91.024","0.002","91.5876","0.0016","1742.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cl2 Cu N6 O8 -","- C36 H28 Cl2 Cu N6 O8 -","- C72 H56 Cl4 Cu2 N12 O16 -","2","1","","Rodrigues, Roberta R.; Lee, Joseph M.; Taylor, Natalie S.; Cheema, Hammad; Chen, Lizhu; Fortenberry, Ryan C.; Delcamp, Jared H.; Jurss, Jonah W.","Copper-based redox shuttles supported by preorganized tetradentate ligands for dye-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","343","355","10.1039/c9dt04030g","","","0.71073","MoKα","","0.0402","0.0324","","","0.0842","0.0887","","","","","","1.038","","","","has coordinates,has disorder","247726","2020-10-21","18:00:00",""
"7702938","25.3322","0.0019","8.831","0.0007","25.293","0.003","90","","118.825","0.002","90","","4957.2","0.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","compound 1","","","- C29 H22 N3 O30 U5 -","- C29 H34 N3 O30 U5 -","- C116 H136 N12 O120 U20 -","4","1","","Zhang, Yugang; Chen, Lanhua; Guan, Jingwen; Wang, Xia; Wang, Shuao; Diwu, Juan","A unique uranyl framework containing uranyl pentamers as secondary building units: synthesis, structure, and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3676","3679","10.1039/c9dt03871j","","","0.71073","MoKα","","0.0373","0.0333","","","0.0803","0.0825","","","","","","1.034","","","","has coordinates","250312","2020-10-21","18:00:00",""
"7702939","9.8823","0.0013","15.971","0.002","27.569","0.003","90","","91.413","0.004","90","","4349.9","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound 2","","","- C34 H48 N2 O17 U2 -","- C34 H45 N2 O17 U2 -","- C136 H180 N8 O68 U8 -","4","1","","Zhang, Yugang; Chen, Lanhua; Guan, Jingwen; Wang, Xia; Wang, Shuao; Diwu, Juan","A unique uranyl framework containing uranyl pentamers as secondary building units: synthesis, structure, and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3676","3679","10.1039/c9dt03871j","","","0.71073","MoKα","","0.0424","0.0371","","","0.1434","0.1473","","","","","","1.236","","","","has coordinates","250312","2020-10-21","18:00:00",""
"7702940","6.6668","0.0003","8.3328","0.0003","12.2584","0.0005","90","","95.937","0.001","90","","677.34","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H15 O8 P2 Tb -","- C9 H13 O8 P2 Tb -","- C18 H26 O16 P4 Tb2 -","2","1","","Hou, Xiaomin; Yan, Chong-Chong; Xu, Xiuling; Liang, Ai-Qin; Song, Zu-Wei; Tang, Si-Fu","Two-dimensional layered lanthanide diphosphonates: synthesis, structures and sensing properties toward Fe<sup>3+</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2</sup>.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3809","3815","10.1039/c9dt03531a","","","0.71073","MoKα","","0.0503","0.0438","","","0.1058","0.1129","","","","","","1.149","","","","has coordinates","250314","2020-10-21","18:00:00",""
"7702941","12.2586","0.0006","8.3554","0.0004","13.4007","0.0006","90","","96.336","0.001","90","","1364.19","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 Eu O8 P2 -","- C9 H15 Eu O8 P2 -","- C36 H60 Eu4 O32 P8 -","4","1","","Hou, Xiaomin; Yan, Chong-Chong; Xu, Xiuling; Liang, Ai-Qin; Song, Zu-Wei; Tang, Si-Fu","Two-dimensional layered lanthanide diphosphonates: synthesis, structures and sensing properties toward Fe<sup>3+</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2</sup>.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3809","3815","10.1039/c9dt03531a","","","0.71073","MoKα","","0.027","0.0216","","","0.0515","0.0541","","","","","","1.076","","","","has coordinates","250314","2020-10-21","18:00:00",""
"7702942","12.2733","0.0005","8.2942","0.0003","13.2498","0.0005","90","","95.335","0.001","90","","1342.95","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 Er O8 P2 -","- C9 H15 Er O8 P2 -","- C36 H60 Er4 O32 P8 -","4","1","","Hou, Xiaomin; Yan, Chong-Chong; Xu, Xiuling; Liang, Ai-Qin; Song, Zu-Wei; Tang, Si-Fu","Two-dimensional layered lanthanide diphosphonates: synthesis, structures and sensing properties toward Fe<sup>3+</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2</sup>.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3809","3815","10.1039/c9dt03531a","","","0.71073","MoKα","","0.0406","0.0269","","","0.061","0.0675","","","","","","1.014","","","","has coordinates","250314","2020-10-21","18:00:00",""
"7702943","12.2412","0.0009","8.3929","0.0006","13.4782","0.0009","90","","96.943","0.002","90","","1374.58","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Nd O8 P2 -","- C9 H10 Nd O8 P2 -","- C36 H40 Nd4 O32 P8 -","4","1","","Hou, Xiaomin; Yan, Chong-Chong; Xu, Xiuling; Liang, Ai-Qin; Song, Zu-Wei; Tang, Si-Fu","Two-dimensional layered lanthanide diphosphonates: synthesis, structures and sensing properties toward Fe<sup>3+</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2</sup>.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3809","3815","10.1039/c9dt03531a","","","0.71073","MoKα","","0.0738","0.0654","","","0.1527","0.1604","","","","","","1.049","","","","has coordinates","250314","2020-10-21","18:00:00",""
"7702944","15.7365","0.0004","16.0434","0.0004","18.6754","0.0007","90","","90","","90","","4714.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Zinc (imdazolate, benzimidazolate, 5-methyl-benzimidazolate) solid solution","ZIF-UC-1a","","- C18.84 H22.06 N8.92 O0.92 Zn2 -","- C18.829 H12.138 N8.912 O0.912 Zn2 -","- C150.632 H97.104 N71.296 O7.296 Zn16 -","8","1","","Ríos Gómez, María Laura; Lampronti, Giulio Isacco; Yang, Yongjian; Mauro, John C.; Bennett, Thomas Douglas","Relating structural disorder and melting in complex mixed ligand zeolitic imidazolate framework glasses.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","850","857","10.1039/c9dt03559a","","x-ray","1.54184","CuKα","","0.0771","0.0665","","","0.2121","0.2261","","","","","","1.077","","","","has coordinates,has disorder","247748","2020-10-21","18:00:00",""
"7702945","15.9807","0.0011","18.5721","0.0016","15.6944","0.0008","90","","90","","90","","4658","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Zinc (imdazolate, benzimidazolate, 5-methyl-benzimidazolate) solid solution","ZIF-UC-1f","","- C18.98 H23.37 N8.88 O0.88 Zn2 -","- C18.985 H12.222 N8.642 O0.88 Zn2 -","- C151.88 H97.776 N69.136 O7.04 Zn16 -","8","1","","Ríos Gómez, María Laura; Lampronti, Giulio Isacco; Yang, Yongjian; Mauro, John C.; Bennett, Thomas Douglas","Relating structural disorder and melting in complex mixed ligand zeolitic imidazolate framework glasses.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","850","857","10.1039/c9dt03559a","","","1.54184","CuKα","","0.0964","0.082","","","0.2416","0.259","","","","","","1.056","","","","has coordinates,has disorder","247748","2020-10-21","18:00:00",""
"7702946","15.6574","0.0005","15.9532","0.0005","18.5634","0.0007","90","","90","","90","","4636.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Zinc (imdazolate, benzimidazolate, 5-methyl-benzimidazolate) solid solution","ZIF-UC-1g","","- C18.78 H21.46 N8.65 O0.65 Zn2 -","- C19.078 H12.791 N8.647 O0.647 Zn2 -","- C152.624 H102.328 N69.176 O5.176 Zn16 -","8","1","","Ríos Gómez, María Laura; Lampronti, Giulio Isacco; Yang, Yongjian; Mauro, John C.; Bennett, Thomas Douglas","Relating structural disorder and melting in complex mixed ligand zeolitic imidazolate framework glasses.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","850","857","10.1039/c9dt03559a","","x-ray","1.54184","CuKα","","0.0845","0.0785","","","0.2299","0.2349","","","","","","1.175","","","","has coordinates,has disorder","247748","2020-10-21","18:00:00",""
"7702947","10.8094","0.0007","17.2883","0.001","11.0181","0.0007","90","","92.01","0.002","90","","2057.8","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","HK1a","Tetracarbonyl-(2,2'-bipyridine)-manganese hexafluoroantimonate dichloromethane solvate","","- C15 H10 Cl2 F6 Mn N2 O4 Sb -","- C15 H10 Cl2 F6 Mn N2 O4 Sb -","- C60 H40 Cl8 F24 Mn4 N8 O16 Sb4 -","4","1","","Kuo, Hsin-Ya; Tignor, Steven E.; Lee, Tia S.; Ni, Danrui; Park, James Eujin; Scholes, Gregory D.; Bocarsly, Andrew B.","Reduction-induced CO dissociation by a [Mn(bpy)(CO)<sub>4</sub>][SbF<sub>6</sub>] complex and its relevance in electrocatalytic CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","891","900","10.1039/c9dt04150h","","","0.71073","MoKα","","0.0482","0.0434","","","0.1009","0.1027","","","","","","1.206","","","","has coordinates","247751","2020-10-21","18:00:00",""
"7702948","9.0199","0.0014","11.945","0.002","13.587","0.002","90","","107.6","0.006","90","","1395.4","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","10-(m-fluorophenyl)phenoxarsine","","- C18 H12 As F O -","- C18 H12 As F O -","- C72 H48 As4 F4 O4 -","4","1","","Galimova, Milyausha F.; Zueva, Ekaterina M.; Dobrynin, Alexey B.; Samigullina, Aida I.; Musin, Rustem R.; Musina, Elvira I.; Karasik, Andrey A.","Cu<sub>4</sub>I<sub>4</sub>-cubane clusters based on 10-(aryl)phenoxarsines and their luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","482","491","10.1039/c9dt04122b","","","0.71073","MoKα","","0.0675","0.0474","","","0.1235","0.1443","","","","","","1.099","","","","has coordinates","247730","2020-10-21","18:00:00",""
"7702949","16.4495","0.0007","16.4495","0.0007","12.68","0.0005","90","","90","","90","","3431","0.2","173","","173","","","","","","","","","7","I -4","I -4","82","","tetra-(μ^3^-iodo)-tetrakis(10-(p-fluorophenyl)phenoxarsine)copper(I)","","- C72 H48 As4 Cu4 F4 I4 O4 -","- C72 H48 As4 Cu4 F4 I4 O4 -","- C144 H96 As8 Cu8 F8 I8 O8 -","2","0.25","","Galimova, Milyausha F.; Zueva, Ekaterina M.; Dobrynin, Alexey B.; Samigullina, Aida I.; Musin, Rustem R.; Musina, Elvira I.; Karasik, Andrey A.","Cu<sub>4</sub>I<sub>4</sub>-cubane clusters based on 10-(aryl)phenoxarsines and their luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","482","491","10.1039/c9dt04122b","","","0.71073","MoKα","","0.0519","0.0458","","","0.0982","0.1002","","","","","","1.202","","","","has coordinates,has disorder","247730","2020-10-21","18:00:00",""
"7702950","12.4737","0.0006","13.1687","0.0006","25.6324","0.0012","77.387","0.002","76.819","0.002","83.848","0.002","3993.3","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","tetra-(μ^3^-iodo)-tetrakis(10-(p-ethoxyphenyl)phenoxarsine)copper(I)","","- C82 H71 As4 Cu4 I4 N O8 -","- C82 H71 As4 Cu4 I4 N O8 -","- C164 H142 As8 Cu8 I8 N2 O16 -","2","1","","Galimova, Milyausha F.; Zueva, Ekaterina M.; Dobrynin, Alexey B.; Samigullina, Aida I.; Musin, Rustem R.; Musina, Elvira I.; Karasik, Andrey A.","Cu<sub>4</sub>I<sub>4</sub>-cubane clusters based on 10-(aryl)phenoxarsines and their luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","482","491","10.1039/c9dt04122b","","","0.71073","MoKα","","0.0928","0.0587","","","0.1344","0.165","","","","","","1.001","","","","has coordinates","247730","2020-10-21","18:00:00",""
"7702951","16.01","0.004","29.907","0.006","6.3046","0.0013","90","","90","","90","","3018.7","1.2","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","10-(o-methoxyphenyl)phenoxarsine","","- C19 H15 As O2 -","- C19 H15 As O2 -","- C152 H120 As8 O16 -","8","2","","Galimova, Milyausha F.; Zueva, Ekaterina M.; Dobrynin, Alexey B.; Samigullina, Aida I.; Musin, Rustem R.; Musina, Elvira I.; Karasik, Andrey A.","Cu<sub>4</sub>I<sub>4</sub>-cubane clusters based on 10-(aryl)phenoxarsines and their luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","482","491","10.1039/c9dt04122b","","","0.71073","MoKα","","0.0647","0.0403","","","0.0892","0.1234","","","","","","1.088","","","","has coordinates","247730","2020-10-21","18:00:00",""
"7702952","21.6406","0.0017","21.6406","0.0017","15.3192","0.0015","90","","90","","90","","7174.2","1.1","100","","100","","","","","","","","","6","I 41/a :2","-I 4ad","88","","tetra-(μ^3^-iodo)-tetrakis(10-(o-methoxyphenyl)phenoxarsine)copper(I)","","- C19 H15 As Cu I O2 -","- C19 H15 As Cu I O2 -","- C304 H240 As16 Cu16 I16 O32 -","16","1","","Galimova, Milyausha F.; Zueva, Ekaterina M.; Dobrynin, Alexey B.; Samigullina, Aida I.; Musin, Rustem R.; Musina, Elvira I.; Karasik, Andrey A.","Cu<sub>4</sub>I<sub>4</sub>-cubane clusters based on 10-(aryl)phenoxarsines and their luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","482","491","10.1039/c9dt04122b","","","0.71073","MoKα","","0.0843","0.046","","","0.1089","0.1411","","","","","","1.039","","","","has coordinates","247730","2020-10-21","18:00:00",""
"7702953","13.5287","0.0006","13.9447","0.0006","18.745","0.0008","93.001","0.004","100.392","0.004","116.78","0.004","3069.1","0.3","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H42 Cl0 Dy2 F12 N8 O10 -","- C64 H42 Dy2 F12 N8 O10 -","- C128 H84 Dy4 F24 N16 O20 -","2","1","","Cen, Peipei; Liu, Xiangyu; Zhang, Yi-Quan; Ferrando-Soria, Jesús; Xie, Gang; Chen, Sanping; Pardo, Emilio","Modulating magnetic dynamics through tailoring the terminal ligands in Dy<sub>2</sub> single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","808","816","10.1039/c9dt03993g","","","","","","0.159","","","","","","","","","","","","","","","has coordinates","247741","2020-10-21","18:00:00",""
"7702954","13.6044","0.0004","13.6044","0.0004","28.6443","0.0008","90","","90","","120","","4591.2","0.2","150","0.1","150","0.1","","","","","","","","7","P 31","P 31","144","","","","- C56 H34 Dy2 F12 N8 O10 S4 -","- C56 H34 Dy2 F12 N8 O10 S4 -","- C168 H102 Dy6 F36 N24 O30 S12 -","3","1","","Cen, Peipei; Liu, Xiangyu; Zhang, Yi-Quan; Ferrando-Soria, Jesús; Xie, Gang; Chen, Sanping; Pardo, Emilio","Modulating magnetic dynamics through tailoring the terminal ligands in Dy<sub>2</sub> single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","808","816","10.1039/c9dt03993g","","x-ray","1.54184","CuKα","","0.0453","0.0417","","","0.1022","0.1058","","","","","","1.031","","","","has coordinates,has disorder","247741","2020-10-21","18:00:00",""
"7702955","12.187","0.002","13.349","0.003","23.253","0.005","91.97","0.03","103.85","0.03","105.47","0.03","3520.3","1.5","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H40 Cl2 Co F30 N7 O14 Y -","- C54 H40 Cl2 Co F30 N7 O14 Y -","- C108 H80 Cl4 Co2 F60 N14 O28 Y2 -","2","1","","Xi, Lu; Sun, Juan; Wang, Kang; Lu, Jiao; Jing, Pei; Li, Licun","Slow magnetic relaxation in Co<sup>II</sup>-Ln<sup>III</sup> heterodinuclear complexes achieved through a functionalized nitronyl nitroxide biradical.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1089","1096","10.1039/c9dt04036f","","","0.71073","MoKα","","0.0961","0.0685","","","0.1703","0.192","","","","","","1.001","","","","has coordinates","247719","2020-10-21","18:00:00",""
"7702956","12.1364","0.0003","13.2997","0.0003","23.2102","0.0006","91.971","0.002","104.109","0.002","105.537","0.002","3480.6","0.16","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H40 Cl2 Co F30 Ho N7 O14 -","- C54 H40 Cl2 Co F30 Ho N7 O14 -","- C108 H80 Cl4 Co2 F60 Ho2 N14 O28 -","2","1","","Xi, Lu; Sun, Juan; Wang, Kang; Lu, Jiao; Jing, Pei; Li, Licun","Slow magnetic relaxation in Co<sup>II</sup>-Ln<sup>III</sup> heterodinuclear complexes achieved through a functionalized nitronyl nitroxide biradical.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1089","1096","10.1039/c9dt04036f","","","0.71073","MoKα","","0.0589","0.0406","","","0.0919","0.1002","","","","","","1.01","","","","has coordinates","247719","2020-10-21","18:00:00",""
"7702957","12.2121","0.0005","13.2856","0.0006","23.3097","0.0012","92.167","0.004","103.998","0.004","105.463","0.004","3515.5","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H40 Cl2 Co F30 Gd N7 O14 -","- C54 H40 Cl2 Co F30 Gd N7 O14 -","- C108 H80 Cl4 Co2 F60 Gd2 N14 O28 -","2","1","","Xi, Lu; Sun, Juan; Wang, Kang; Lu, Jiao; Jing, Pei; Li, Licun","Slow magnetic relaxation in Co<sup>II</sup>-Ln<sup>III</sup> heterodinuclear complexes achieved through a functionalized nitronyl nitroxide biradical.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1089","1096","10.1039/c9dt04036f","","","0.71073","MoKα","","0.0651","0.0528","","","0.1512","0.1613","","","","","","1.004","","","","has coordinates","247719","2020-10-21","18:00:00",""
"7702958","12.211","0.002","13.355","0.003","23.318","0.005","92.09","0.03","104.23","0.03","105.23","0.03","3535.7","1.5","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H40 Cl2 Co F30 N7 O14 Tb -","- C54 H40 Cl2 Co F30 N7 O14 Tb -","- C108 H80 Cl4 Co2 F60 N14 O28 Tb2 -","2","1","","Xi, Lu; Sun, Juan; Wang, Kang; Lu, Jiao; Jing, Pei; Li, Licun","Slow magnetic relaxation in Co<sup>II</sup>-Ln<sup>III</sup> heterodinuclear complexes achieved through a functionalized nitronyl nitroxide biradical.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1089","1096","10.1039/c9dt04036f","","","0.71073","MoKα","","0.0881","0.0752","","","0.1817","0.2035","","","","","","1.01","","","","has coordinates","247719","2020-10-21","18:00:00",""
"7702959","12.18","0.002","13.325","0.003","23.27","0.005","92","0.03","104.14","0.03","105.32","0.03","3512.1","1.5","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H40 Cl2 Co Dy F30 N7 O14 -","- C54 H40 Cl2 Co Dy F30 N7 O14 -","- C108 H80 Cl4 Co2 Dy2 F60 N14 O28 -","2","1","","Xi, Lu; Sun, Juan; Wang, Kang; Lu, Jiao; Jing, Pei; Li, Licun","Slow magnetic relaxation in Co<sup>II</sup>-Ln<sup>III</sup> heterodinuclear complexes achieved through a functionalized nitronyl nitroxide biradical.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1089","1096","10.1039/c9dt04036f","","","0.71073","MoKα","","0.0776","0.0614","","","0.1702","0.1956","","","","","","1.007","","","","has coordinates","247719","2020-10-21","18:00:00",""
"7702960","8.183","0.004","12.029","0.006","13.174","0.008","65.36","0.02","75.12","0.02","84.37","0.02","1139.1","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H42 Li6 O18 -","- C48 H42 Li6 O18 -","- C48 H42 Li6 O18 -","1","0.5","","Petrus, Rafał; Fałat, Patryk; Sobota, Piotr","Use of lithium aryloxides as promoters for preparation of α-hydroxy acid esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","866","876","10.1039/c9dt03631h","","","0.71073","MoKα","","0.1065","0.0635","","","0.1313","0.1559","","","","","","1.034","","","","has coordinates","247753","2020-10-21","18:00:00",""
"7702961","4.982","0.003","11.477","0.005","26.122","0.006","90","","94.98","0.02","90","","1488","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Li O6 -","- C16 H15 Li O6 -","- C64 H60 Li4 O24 -","4","1","","Petrus, Rafał; Fałat, Patryk; Sobota, Piotr","Use of lithium aryloxides as promoters for preparation of α-hydroxy acid esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","866","876","10.1039/c9dt03631h","","","0.71073","MoKα","","0.0989","0.0554","","","0.114","0.1346","","","","","","1.031","","","","has coordinates","247753","2020-10-21","18:00:00",""
"7702962","16.678","0.004","10.147","0.003","7.008","0.002","90","","90","","90","","1186","0.6","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H15 Li O5 -","- C10 H15 Li O5 -","- C40 H60 Li4 O20 -","4","1","","Petrus, Rafał; Fałat, Patryk; Sobota, Piotr","Use of lithium aryloxides as promoters for preparation of α-hydroxy acid esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","866","876","10.1039/c9dt03631h","","","1.54178","CuKα","","0.0306","0.0303","","","0.0858","0.0861","","","","","","1.092","","","","has coordinates","247753","2020-10-21","18:00:00",""
"7702963","12.1133","0.0005","12.942","0.0007","15.0302","0.0008","70.115","0.005","84.171","0.004","84.068","0.004","2198.4","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H29 N3 O3 Ru -","- C23 H29 N3 O3 Ru -","- C92 H116 N12 O12 Ru4 -","4","2","","Ismail, Media K.; Armstrong, Katie A.; Hodder, Samantha L.; Horswell, Sarah L.; Male, Louise; Nguyen, Huy V.; Wilkinson, Edward A.; Hodges, Nikolas J.; Tucker, James H. R.","Organometallic nucleoside analogues: effect of the metallocene metal atom on cancer cell line toxicity.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1181","1190","10.1039/c9dt04174e","","x-ray","1.54184","CuKα","","0.0555","0.0498","","","0.1294","0.1326","","","","","","1.142","","","","has coordinates","247723","2020-10-21","18:00:00",""
"7702964","5.9641","0.0004","8.3166","0.0007","15.9058","0.0016","98.82","0.007","95.605","0.006","104.953","0.006","745.39","0.11","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O2 Ru -","- C17 H18 N2 O2 Ru -","- C34 H36 N4 O4 Ru2 -","2","1","","Ismail, Media K.; Armstrong, Katie A.; Hodder, Samantha L.; Horswell, Sarah L.; Male, Louise; Nguyen, Huy V.; Wilkinson, Edward A.; Hodges, Nikolas J.; Tucker, James H. R.","Organometallic nucleoside analogues: effect of the metallocene metal atom on cancer cell line toxicity.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1181","1190","10.1039/c9dt04174e","","x-ray","1.54184","CuKα","","0.0416","0.0369","","","0.0951","0.0967","","","","","","1.049","","","","has coordinates","247723","2020-10-21","18:00:00",""
"7702965","8.1567","0.0005","10.104","0.0007","10.3448","0.0007","111.683","0.007","91.422","0.006","93.468","0.005","789.77","0.1","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 I O2 Ru -","- C16 H19 I O2 Ru -","- C32 H38 I2 O4 Ru2 -","2","1","","Ismail, Media K.; Armstrong, Katie A.; Hodder, Samantha L.; Horswell, Sarah L.; Male, Louise; Nguyen, Huy V.; Wilkinson, Edward A.; Hodges, Nikolas J.; Tucker, James H. R.","Organometallic nucleoside analogues: effect of the metallocene metal atom on cancer cell line toxicity.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1181","1190","10.1039/c9dt04174e","","x-ray","0.71073","MoKα","","0.0994","0.0803","","","0.2123","0.2224","","","","","","1.115","","","","has coordinates","247723","2020-10-21","18:00:00",""
"7702966","7.6382","0.0003","20.2298","0.0009","8.0749","0.0003","90","","99.314","0.004","90","","1231.28","0.09","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N Ru -","- C14 H19 N Ru -","- C56 H76 N4 Ru4 -","4","1","","Ismail, Media K.; Armstrong, Katie A.; Hodder, Samantha L.; Horswell, Sarah L.; Male, Louise; Nguyen, Huy V.; Wilkinson, Edward A.; Hodges, Nikolas J.; Tucker, James H. R.","Organometallic nucleoside analogues: effect of the metallocene metal atom on cancer cell line toxicity.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1181","1190","10.1039/c9dt04174e","","x-ray","1.54184","CuKα","","0.0332","0.028","","","0.0643","0.067","","","","","","1.04","","","","has coordinates","247723","2020-10-21","18:00:00",""
"7702967","11.9888","0.0012","5.6864","0.0005","14.2237","0.0016","90","","100.876","0.009","90","","952.26","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Ru -","- C12 H12 Ru -","- C48 H48 Ru4 -","4","1","","Ismail, Media K.; Armstrong, Katie A.; Hodder, Samantha L.; Horswell, Sarah L.; Male, Louise; Nguyen, Huy V.; Wilkinson, Edward A.; Hodges, Nikolas J.; Tucker, James H. R.","Organometallic nucleoside analogues: effect of the metallocene metal atom on cancer cell line toxicity.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1181","1190","10.1039/c9dt04174e","","x-ray","0.71073","MoKα","","0.086","0.0732","","","0.2051","0.2153","","","","","","1.056","","","","has coordinates","247723","2020-10-21","18:00:00",""
"7702968","30.3009","0.0005","30.3009","0.0005","5.97018","0.00011","90","","90","","120","","4747.11","0.14","100","0.1","100","0.1","","","","","","","","4","P -3","-P 3","147","","","","- C12 H14 O Ru -","- C12 H14 O Ru -","- C216 H252 O18 Ru18 -","18","3","","Ismail, Media K.; Armstrong, Katie A.; Hodder, Samantha L.; Horswell, Sarah L.; Male, Louise; Nguyen, Huy V.; Wilkinson, Edward A.; Hodges, Nikolas J.; Tucker, James H. R.","Organometallic nucleoside analogues: effect of the metallocene metal atom on cancer cell line toxicity.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1181","1190","10.1039/c9dt04174e","","x-ray","1.54184","CuKα","","0.0518","0.0445","","","0.0927","0.0953","","","","","","1.16","","","","has coordinates","247723","2020-10-21","18:00:00",""
"7702969","12.244","0.009","13.196","0.009","16.49","0.012","109.25","0.03","93.811","0.019","105.368","0.013","2391","3","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H58 Ge O2 P2 Si -","- C45 H48 Ge O P2 Si -","- C90 H96 Ge2 O2 P4 Si2 -","2","1","","Szkop, Kevin M.; Jupp, Andrew R.; Razumkov, Hlib; Stephan, Douglas W.","Avenue to phosphaalkenes from Ph<sub>3</sub>GePCO.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","885","890","10.1039/c9dt04590b","","","0.71073","MoKα","","0.1211","0.0555","","","0.1058","0.1201","","","","","","0.937","","","","has coordinates","247744","2020-10-21","18:00:00",""
"7702970","16.0049","0.0015","16.34","0.002","18.646","0.002","113.791","0.003","94.049","0.003","110.342","0.003","4055.4","0.8","149","2","149.53","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H48 Ge O P2 Si -","- C45 H48 Ge O P2 Si -","- C180 H192 Ge4 O4 P8 Si4 -","4","2","","Szkop, Kevin M.; Jupp, Andrew R.; Razumkov, Hlib; Stephan, Douglas W.","Avenue to phosphaalkenes from Ph<sub>3</sub>GePCO.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","885","890","10.1039/c9dt04590b","","","0.71073","MoKα","","0.0931","0.0417","","","0.0892","0.1067","","","","","","0.988","","","","has coordinates","247744","2020-10-21","18:00:00",""
"7702971","14.0359","0.0004","14.1167","0.0004","17.7636","0.0006","70.333","0.001","81.16","0.001","84.094","0.001","3270.04","0.17","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H83 Br3 Ce2 Li2 N8 P4 -","- C44 H83 Br3 Ce2 Li2 N8 P4 -","- C88 H166 Br6 Ce4 Li4 N16 P8 -","2","1","","Xin, Xiaoqing; Zhu, Congqing","Isolation of heterometallic cerium(iii) complexes with a multidentate nitrogen-phosphorus ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","603","607","10.1039/c9dt04555d","","","0.71073","MoKα","","0.0321","0.0252","","","0.0663","0.0683","","","","","","1.076","","","","has coordinates","247736","2020-10-21","18:00:00",""
"7702972","12.4128","0.0004","15.6235","0.0005","17.6653","0.0005","96.143","0.001","100.177","0.001","102.728","0.001","3250.88","0.18","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H84 Br3 Ce2 Li N8 P4 -","- C43.607 H83.083 Br3 Ce2 Li N8 P4 -","- C87.214 H166.166 Br6 Ce4 Li2 N16 P8 -","2","1","","Xin, Xiaoqing; Zhu, Congqing","Isolation of heterometallic cerium(iii) complexes with a multidentate nitrogen-phosphorus ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","603","607","10.1039/c9dt04555d","","","1.34139","GaKα","","0.0395","0.0386","","","0.103","0.1038","","","","","","1.03","","","","has coordinates,has disorder","247736","2020-10-21","18:00:00",""
"7702973","14.3545","0.0004","19.2818","0.0005","21.2924","0.0006","91.396","0.001","105.106","0.001","109.615","0.001","5318.8","0.3","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C76 H130 Br6 Ce2 N8 P4 Rh4 -","- C76 H130 Br6 Ce2 N8 P4 Rh4 -","- C152 H260 Br12 Ce4 N16 P8 Rh8 -","2","1","","Xin, Xiaoqing; Zhu, Congqing","Isolation of heterometallic cerium(iii) complexes with a multidentate nitrogen-phosphorus ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","603","607","10.1039/c9dt04555d","","","1.34139","GaKα","","0.075","0.0671","","","0.1983","0.2056","","","","","","1.036","","","","has coordinates","247736","2020-10-21","18:00:00",""
"7702974","14.3632","0.0005","19.3199","0.0007","21.3343","0.0007","91.439","0.002","104.959","0.001","109.739","0.001","5342.3","0.3","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C76 H130 Br6 Ce2 Ir4 N8 P4 -","- C76 H132 Br6 Ce2 Ir4 N8 P4 -","- C152 H264 Br12 Ce4 Ir8 N16 P8 -","2","1","","Xin, Xiaoqing; Zhu, Congqing","Isolation of heterometallic cerium(iii) complexes with a multidentate nitrogen-phosphorus ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","603","607","10.1039/c9dt04555d","","","1.34139","GaKα","","0.0553","0.0483","","","0.1496","0.1554","","","","","","1.082","","","","has coordinates","247736","2020-10-21","18:00:00",""
"7702975","7.7792","0.0011","13.3468","0.0019","18.111","0.003","90","","100.6","0.004","90","","1848.3","0.5","297","2","297","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Cl2 Cu Mn N2 O3 -","- C17 H16 Cl2 Cu Mn N2 O3 -","- C68 H64 Cl8 Cu4 Mn4 N8 O12 -","4","1","","Dutta, Sabarni; Mayans, Júlia; Ghosh, Ashutosh","Facile synthesis of a new Cu(ii) complex with an unsymmetrical ligand and its use as an O<sub>3</sub> donor metalloligand in the synthesis of Cu(ii)-Mn(ii) complexes: structures, magnetic properties, and catalytic oxidase activities.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1276","1291","10.1039/c9dt04315b","","","0.71073","MoKα","","0.0979","0.0946","","","0.2711","0.273","","","","","","1.139","","","","has coordinates,has disorder","247713","2020-10-21","18:00:00",""
"7702976","11.5779","0.0006","13.7188","0.0008","14.4713","0.0008","90","","109.985","0.004","90","","2160.1","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Cu Mn N4 O10 -","- C18 H20 Cu Mn N4 O10 -","- C72 H80 Cu4 Mn4 N16 O40 -","4","1","","Dutta, Sabarni; Mayans, Júlia; Ghosh, Ashutosh","Facile synthesis of a new Cu(ii) complex with an unsymmetrical ligand and its use as an O<sub>3</sub> donor metalloligand in the synthesis of Cu(ii)-Mn(ii) complexes: structures, magnetic properties, and catalytic oxidase activities.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1276","1291","10.1039/c9dt04315b","","","0.71073","MoKα","","0.1321","0.0664","","","0.1615","0.1939","","","","","","1.003","","","","has coordinates,has disorder","247713","2020-10-21","18:00:00",""
"7702977","15.56","0.002","8.5983","0.0013","31.676","0.005","90","","103.136","0.003","90","","4127","1","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C82 H78 Cl2 Cu4 Mn2 N8 O26 -","- C82 H78 Cl2 Cu4 Mn2 N8 O26 -","- C164 H156 Cl4 Cu8 Mn4 N16 O52 -","2","0.5","","Dutta, Sabarni; Mayans, Júlia; Ghosh, Ashutosh","Facile synthesis of a new Cu(ii) complex with an unsymmetrical ligand and its use as an O<sub>3</sub> donor metalloligand in the synthesis of Cu(ii)-Mn(ii) complexes: structures, magnetic properties, and catalytic oxidase activities.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1276","1291","10.1039/c9dt04315b","","","0.71073","MoKα","","0.1214","0.0533","","","0.1002","0.1248","","","","","","1.014","","","","has coordinates,has disorder","247713","2020-10-21","18:00:00",""
"7702978","9.7423","0.0006","10.1101","0.0006","11.7562","0.0006","92.292","0.003","90.616","0.002","92.587","0.003","1155.74","0.12","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H42 Cl2 Cu2 Mn2 N4 O10 -","- C48 H42 Cl2 Cu2 Mn2 N4 O10 -","- C48 H42 Cl2 Cu2 Mn2 N4 O10 -","1","0.5","","Dutta, Sabarni; Mayans, Júlia; Ghosh, Ashutosh","Facile synthesis of a new Cu(ii) complex with an unsymmetrical ligand and its use as an O<sub>3</sub> donor metalloligand in the synthesis of Cu(ii)-Mn(ii) complexes: structures, magnetic properties, and catalytic oxidase activities.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1276","1291","10.1039/c9dt04315b","","","0.71073","MoKα","","0.0744","0.0588","","","0.1556","0.17","","","","","","1.091","","","","has coordinates","247713","2020-10-21","18:00:00",""
"7702979","12.959","0.0008","13.5286","0.001","14.2464","0.001","70.93","0.002","64.023","0.002","81.799","0.002","2122.1","0.3","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H36 F9 N7 -","- C48 H36 F9 N7 -","- C96 H72 F18 N14 -","2","1","","Welsh, Athi; Rylands, Laa-Iqa; Arion, Vladimir B.; Prince, Sharon; Smith, Gregory S.","Synthesis and antiproliferative activity of benzimidazole-based, trinuclear neutral cyclometallated and cationic, N<sup>^</sup>N-chelated ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1143","1156","10.1039/c9dt03902c","","","0.71073","MoKα","","0.0907","0.0504","","","0.1011","0.1215","","","","","","1.0305","","","","has coordinates,has disorder","247724","2020-10-21","18:00:00",""
"7702980","15.9799","0.001","15.9799","0.001","15.7925","0.0009","90","","90","","120","","3492.4","0.4","173","2","173","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","","","- C45 H39 N7 -","- C45 H39 N7 -","- C180 H156 N28 -","4","0.333333","","Welsh, Athi; Rylands, Laa-Iqa; Arion, Vladimir B.; Prince, Sharon; Smith, Gregory S.","Synthesis and antiproliferative activity of benzimidazole-based, trinuclear neutral cyclometallated and cationic, N<sup>^</sup>N-chelated ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1143","1156","10.1039/c9dt03902c","","","0.71073","MoKα","","0.0515","0.0391","","","0.093","0.1016","","","","","","1.031","","","","has coordinates","247724","2020-10-21","18:00:00",""
"7702981","14.8404","0.0002","10.6928","0.0001","31.4241","0.0005","90","","90","","90","","4986.55","0.11","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H35 Al Fe N2 -","- C26 H35 Al Fe N2 -","- C208 H280 Al8 Fe8 N16 -","8","1","","Rios Yepes, Yersica; Martínez, Javier; Rangel Sánchez, Hiram; Quintero, Celso; Ortega-Alfaro, M Carmen; López-Cortés, José G; Daniliuc, Constantin G.; Antiñolo, Antonio; Ramos, Alberto; Rojas, René S","Aluminum complexes with new non-symmetric ferrocenyl amidine ligands and their application in CO<sub>2</sub> transformation into cyclic carbonates.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1124","1134","10.1039/c9dt03808f","","","0.71073","MoKα","","0.051","0.0397","","","0.0876","0.0943","","","","","","1.067","","","","has coordinates","247716","2020-10-21","18:00:00",""
"7702982","19.7132","0.0004","15.7957","0.0003","28.5412","0.0007","90","","90.08","0.001","90","","8887.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H61 Al Fe2 N4 -","- C49 H61 Al Fe2 N4 -","- C392 H488 Al8 Fe16 N32 -","8","2","","Rios Yepes, Yersica; Martínez, Javier; Rangel Sánchez, Hiram; Quintero, Celso; Ortega-Alfaro, M Carmen; López-Cortés, José G; Daniliuc, Constantin G.; Antiñolo, Antonio; Ramos, Alberto; Rojas, René S","Aluminum complexes with new non-symmetric ferrocenyl amidine ligands and their application in CO<sub>2</sub> transformation into cyclic carbonates.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1124","1134","10.1039/c9dt03808f","","","0.71073","MoKα","","0.1012","0.0659","","","0.1458","0.1661","","","","","","1.017","","","","has coordinates","247716","2020-10-21","18:00:00",""
"7702983","20.6079","0.0019","8.0992","0.0007","43.27","0.004","90","","101.284","0.004","90","","7082.5","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H45 Al Fe2 N4 -","- C41 H45 Al Fe2 N4 -","- C328 H360 Al8 Fe16 N32 -","8","1","","Rios Yepes, Yersica; Martínez, Javier; Rangel Sánchez, Hiram; Quintero, Celso; Ortega-Alfaro, M Carmen; López-Cortés, José G; Daniliuc, Constantin G.; Antiñolo, Antonio; Ramos, Alberto; Rojas, René S","Aluminum complexes with new non-symmetric ferrocenyl amidine ligands and their application in CO<sub>2</sub> transformation into cyclic carbonates.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1124","1134","10.1039/c9dt03808f","","","1.54178","CuKα","","0.0543","0.043","","","0.1067","0.1104","","","","","","1.113","","","","has coordinates","247716","2020-10-21","18:00:00",""
"7702984","18.173","0.0002","14.6537","0.0005","9.8443","0.0006","90","","90","","90","","2621.55","0.19","150","","150","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C56 H57 Al N4 P2 -","- C56 H57 Al N4 P2 -","- C112 H114 Al2 N8 P4 -","2","0.5","","Goswami, Bhupendra; Yadav, Ravi; Schoo, Christoph; Roesky, Peter W.","Neutral and cationic enantiopure group 13 iminophosphonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","675","681","10.1039/c9dt04082j","","x-ray","0.71073","MoKα","","0.0554","0.0384","","","0.0819","0.0862","","","","","","0.947","","","","has coordinates","247737","2020-10-21","18:00:00",""
"7702985","18.4844","0.0004","14.5247","0.0008","10.2958","0.0008","90","","90","","90","","2764.2","0.3","240","","240","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C58 H61 Cl Ga N4 O0.5 P2 -","- C58 H61 Cl Ga N4 O0.5 P2 -","- C116 H122 Cl2 Ga2 N8 O P4 -","2","0.5","","Goswami, Bhupendra; Yadav, Ravi; Schoo, Christoph; Roesky, Peter W.","Neutral and cationic enantiopure group 13 iminophosphonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","675","681","10.1039/c9dt04082j","","x-ray","0.71073","MoKα","","0.1388","0.0635","","","0.159","0.1979","","","","","","0.983","","","","has coordinates,has disorder","247737","2020-10-21","18:00:00",""
"7702986","18.3994","0.0004","14.4577","0.0005","10.2758","0.0007","90","","90","","90","","2733.5","0.2","150","","150","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C58 H61 Al Cl N4 O P2 -","- C58 H61 Al Cl N4 O P2 -","- C116 H122 Al2 Cl2 N8 O2 P4 -","2","0.5","","Goswami, Bhupendra; Yadav, Ravi; Schoo, Christoph; Roesky, Peter W.","Neutral and cationic enantiopure group 13 iminophosphonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","675","681","10.1039/c9dt04082j","","x-ray","0.71073","MoKα","","0.0787","0.0575","","","0.1546","0.1697","","","","","","1.058","","","","has coordinates,has disorder","247737","2020-10-21","18:00:00",""
"7702987","12.6494","0.0002","12.6494","0.0002","58.6453","0.0012","90","","90","","120","","8126.5","0.2","150","","150","","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C56 H56 Al Cl4 Ga N4 P2 -","- C56 H56 Al Cl4 Ga N4 P2 -","- C336 H336 Al6 Cl24 Ga6 N24 P12 -","6","1","","Goswami, Bhupendra; Yadav, Ravi; Schoo, Christoph; Roesky, Peter W.","Neutral and cationic enantiopure group 13 iminophosphonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","675","681","10.1039/c9dt04082j","","x-ray","0.71073","MoKα","","0.115","0.0654","","","0.1145","0.1306","","","","","","1.034","","","","has coordinates,has disorder","247737","2020-10-21","18:00:00",""
"7702988","12.6047","0.0003","12.6047","0.0003","58.597","0.002","90","","90","","120","","8062.5","0.4","150","","150","","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C56 H56 Al Cl4 Ga N4 P2 -","- C56 H56 Al Cl4 Ga N4 P2 -","- C336 H336 Al6 Cl24 Ga6 N24 P12 -","6","1","","Goswami, Bhupendra; Yadav, Ravi; Schoo, Christoph; Roesky, Peter W.","Neutral and cationic enantiopure group 13 iminophosphonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","675","681","10.1039/c9dt04082j","","x-ray","0.71073","MoKα","","0.0771","0.0485","","","0.0767","0.0813","","","","","","0.942","","","","has coordinates,has disorder","247737","2020-10-21","18:00:00",""
"7702989","28.6657","0.0008","28.6657","0.0008","52.375","0.002","90","","90","","120","","37272","2","110","","110","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C174 H240 Au6 Cu10 N12 O3 S8 -","- C174 H240 Au6 Cu10 N12 O3 S8 -","- C1044 H1440 Au36 Cu60 N72 O18 S48 -","6","0.166667","","Polgar, Alexander M.; Franzke, Yannick J.; Lebedkin, Sergei; Weigend, Florian; Corrigan, John F.","Preparation and luminescence properties of a M<sub>16</sub> heterometallic coinage metal chalcogenide cluster.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","593","597","10.1039/c9dt02669j","","","1.54178","CuKα","","0.0696","0.0403","","","0.0972","0.1117","","","","","","1.035","","","","has coordinates,has disorder","247743","2020-10-21","18:00:00",""
"7702990","17.9448","0.0004","8.8955","0.0001","30.1258","0.0006","90","","97.649","0.002","90","","4766.13","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H57 Cl2 Co N5 -","- C49 H57 Cl2 Co N5 -","- C196 H228 Cl8 Co4 N20 -","4","1","","Brachňaková, Barbora; Matejová, Simona; Moncol, Ján; Herchel, Radovan; Pavlik, Ján; Moreno-Pineda, Eufemio; Ruben, Mario; Šalitroš, Ivan","Stereochemistry of coordination polyhedra vs. single ion magnetism in penta- and hexacoordinated Co(ii) complexes with tridentate rigid ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1249","1264","10.1039/c9dt04592a","","","1.54186","CuKα","","0.0696","0.0452","","","0.1031","0.1096","","","","","","0.841","","","","has coordinates,has disorder","247711","2020-10-21","18:00:00",""
"7702991","37.112","0.0008","15.8626","0.0002","17.1798","0.0004","90","","90.502","0.002","90","","10113.2","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H57 Co N7 S2 -","- C51 H57 Co N7 S2 -","- C408 H456 Co8 N56 S16 -","8","1","","Brachňaková, Barbora; Matejová, Simona; Moncol, Ján; Herchel, Radovan; Pavlik, Ján; Moreno-Pineda, Eufemio; Ruben, Mario; Šalitroš, Ivan","Stereochemistry of coordination polyhedra vs. single ion magnetism in penta- and hexacoordinated Co(ii) complexes with tridentate rigid ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1249","1264","10.1039/c9dt04592a","","","1.54186","CuKα","","0.0685","0.0438","","","0.1038","0.1125","","","","","","0.917","","","","has coordinates,has disorder","247711","2020-10-21","18:00:00",""
"7702992","17.9513","0.0004","8.8923","0.0002","30.3407","0.0007","90","","97.413","0.002","90","","4802.76","0.19","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H57 Br2 Co N5 -","- C49 H57 Br2 Co N5 -","- C196 H228 Br8 Co4 N20 -","4","1","","Brachňaková, Barbora; Matejová, Simona; Moncol, Ján; Herchel, Radovan; Pavlik, Ján; Moreno-Pineda, Eufemio; Ruben, Mario; Šalitroš, Ivan","Stereochemistry of coordination polyhedra vs. single ion magnetism in penta- and hexacoordinated Co(ii) complexes with tridentate rigid ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1249","1264","10.1039/c9dt04592a","","","1.54186","CuKα","","0.079","0.0437","","","0.0799","0.084","","","","","","0.836","","","","has coordinates,has disorder","247711","2020-10-21","18:00:00",""
"7702993","13.5981","0.0004","18.2954","0.0005","21.4975","0.0006","67.463","0.002","87.059","0.002","72.737","0.002","4705.4","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H124 Br2 Co N10 O3 -","- C100 H124 Br2 Co N10 O3 -","- C200 H248 Br4 Co2 N20 O6 -","2","1","","Brachňaková, Barbora; Matejová, Simona; Moncol, Ján; Herchel, Radovan; Pavlik, Ján; Moreno-Pineda, Eufemio; Ruben, Mario; Šalitroš, Ivan","Stereochemistry of coordination polyhedra vs. single ion magnetism in penta- and hexacoordinated Co(ii) complexes with tridentate rigid ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1249","1264","10.1039/c9dt04592a","","","1.54186","CuKα","","0.0502","0.0378","","","0.0944","0.0977","","","","","","0.933","","","","has coordinates,has disorder","247711","2020-10-21","18:00:00",""
"7702994","15.779","0.006","21.493","0.005","22.043","0.006","70.174","0.019","79.49","0.03","82.11","0.03","6892","4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C103 H206 Co3 N12 O21 S6 Si6 -","- C103 H206 Co3 N12 O21 S6 Si6 -","- C206 H412 Co6 N24 O42 S12 Si12 -","2","1","","Kowalkowska-Zedler, D; Dołęga, A; Nedelko, N.; Łyszczek, R; Aleshkevych, P.; Demchenko, I.; Łuczak, J; Slawska-Waniewska, A; Pladzyk, A.","Structural, magnetic and spectral properties of tetrahedral cobalt(ii) silanethiolates: a variety of structures and manifestation of field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","697","710","10.1039/c9dt03722e","","","0.71073","MoKα","","0.0827","0.0449","","","0.0949","0.1048","","","","","","0.85","","","","has coordinates,has disorder","247747","2020-10-21","18:00:00",""
"7702995","9.182","0.005","14.081","0.013","16.395","0.007","104.97","0.05","94.6","0.04","99.97","0.06","1999","2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H124 Co2 N4 O12 S4 Si4 -","- C60 H124 Co2 N4 O12 S4 Si4 -","- C60 H124 Co2 N4 O12 S4 Si4 -","1","0.5","","Kowalkowska-Zedler, D; Dołęga, A; Nedelko, N.; Łyszczek, R; Aleshkevych, P.; Demchenko, I.; Łuczak, J; Slawska-Waniewska, A; Pladzyk, A.","Structural, magnetic and spectral properties of tetrahedral cobalt(ii) silanethiolates: a variety of structures and manifestation of field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","697","710","10.1039/c9dt03722e","","x-ray","0.71073","MoKα","","0.0588","0.0422","","","0.1035","0.1117","","","","","","1.043","","","","has coordinates","247747","2020-10-21","18:00:00",""
"7702996","9.556","0.009","13.484","0.007","20.611","0.014","99.29","0.05","101.1","0.06","108.21","0.06","2405","3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C35.5 H66 Co N4 O7.5 S2 Si2 -","- C35.5 H66 Co N4 O7.5 S2 Si2 -","- C71 H132 Co2 N8 O15 S4 Si4 -","2","1","","Kowalkowska-Zedler, D; Dołęga, A; Nedelko, N.; Łyszczek, R; Aleshkevych, P.; Demchenko, I.; Łuczak, J; Slawska-Waniewska, A; Pladzyk, A.","Structural, magnetic and spectral properties of tetrahedral cobalt(ii) silanethiolates: a variety of structures and manifestation of field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","697","710","10.1039/c9dt03722e","","x-ray","0.71073","MoKα","","0.0863","0.0664","","","0.1629","0.1766","","","","","","1.054","","","","has coordinates,has disorder","247747","2020-10-21","18:00:00",""
"7702997","27.991","0.003","9.623","0.003","16.419","0.003","90","","90","","90","","4422.6","1.7","120","2","120","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C30 H62 Co N2 O6 S2 Si2 -","- C30 H62 Co N2 O6 S2 Si2 -","- C120 H248 Co4 N8 O24 S8 Si8 -","4","1","","Kowalkowska-Zedler, D; Dołęga, A; Nedelko, N.; Łyszczek, R; Aleshkevych, P.; Demchenko, I.; Łuczak, J; Slawska-Waniewska, A; Pladzyk, A.","Structural, magnetic and spectral properties of tetrahedral cobalt(ii) silanethiolates: a variety of structures and manifestation of field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","697","710","10.1039/c9dt03722e","","x-ray","0.71073","MoKα","","0.1339","0.0942","","","0.2155","0.2413","","","","","","1.037","","","","has coordinates","247747","2020-10-21","18:00:00",""
"7702998","9.825","0.003","15.238","0.004","18.819","0.005","108.65","0.02","96.17","0.02","108.46","0.02","2462.9","1.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H74 Co N4 O8 S2 Si2 -","- C36 H74 Co N4 O8 S2 Si2 -","- C72 H148 Co2 N8 O16 S4 Si4 -","2","1","","Kowalkowska-Zedler, D; Dołęga, A; Nedelko, N.; Łyszczek, R; Aleshkevych, P.; Demchenko, I.; Łuczak, J; Slawska-Waniewska, A; Pladzyk, A.","Structural, magnetic and spectral properties of tetrahedral cobalt(ii) silanethiolates: a variety of structures and manifestation of field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","697","710","10.1039/c9dt03722e","","x-ray","0.71073","MoKα","","0.0511","0.0361","","","0.0899","0.0955","","","","","","1.038","","","","has coordinates","247747","2020-10-21","18:00:00",""
"7702999","11.705","0.0012","12.9909","0.0014","13.1353","0.0015","96.537","0.007","110.688","0.006","106.507","0.007","1739.7","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","AL-II-062","","","- C72 H100 N12 O2 V2 -","- C72 H100 N12 O2 V2 -","- C72 H100 N12 O2 V2 -","1","0.5","","Lugosan, Adriana; Cundari, Thomas; Fleming, Kristin; Dickie, Diane A.; Zeller, Matthias; Ghannam, Jack; Lee, Wei-Tsung","Synthesis, characterization, DFT calculations, and reactivity study of a nitrido-bridged dimeric vanadium(iv) complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1200","1206","10.1039/c9dt04544a","","","0.71073","MoKα","","0.1196","0.0558","","","0.1088","0.1305","","","","","","1.003","","","","has coordinates,has disorder","247721","2020-10-21","18:00:00",""
"7703000","10.5713","0.0009","16.0342","0.0011","19.4152","0.0015","94.679","0.006","95.011","0.006","99.765","0.005","3215.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H88 Cl N10 O3 V2 -","- C68 H88 Cl N10 O3 V2 -","- C136 H176 Cl2 N20 O6 V4 -","2","1","","Lugosan, Adriana; Cundari, Thomas; Fleming, Kristin; Dickie, Diane A.; Zeller, Matthias; Ghannam, Jack; Lee, Wei-Tsung","Synthesis, characterization, DFT calculations, and reactivity study of a nitrido-bridged dimeric vanadium(iv) complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1200","1206","10.1039/c9dt04544a","","","1.54178","CuKα","","0.2001","0.1087","","","0.2749","0.343","","","","","","1.087","","","","has coordinates,has disorder","247721","2020-10-21","18:00:00",""
"7703001","15.0518","0.0004","14.5044","0.0004","17.2485","0.0004","90","","92.868","0.002","90","","3760.93","0.17","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","AL_II_025","","","- C39 H48 N11 V -","- C39 H48 N11 V -","- C156 H192 N44 V4 -","4","1","","Lugosan, Adriana; Cundari, Thomas; Fleming, Kristin; Dickie, Diane A.; Zeller, Matthias; Ghannam, Jack; Lee, Wei-Tsung","Synthesis, characterization, DFT calculations, and reactivity study of a nitrido-bridged dimeric vanadium(iv) complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1200","1206","10.1039/c9dt04544a","","","0.71073","MoKα","","0.0794","0.0462","","","0.0982","0.1119","","","","","","1.017","","","","has coordinates","247721","2020-10-21","18:00:00",""
"7703002","11.5972","0.0002","14.7064","0.0003","21.9685","0.0005","90","","95.6135","0.0016","90","","3728.83","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H48 Cl2 N5 V -","- C39 H48 Cl2 N5 V -","- C156 H192 Cl8 N20 V4 -","4","1","","Lugosan, Adriana; Cundari, Thomas; Fleming, Kristin; Dickie, Diane A.; Zeller, Matthias; Ghannam, Jack; Lee, Wei-Tsung","Synthesis, characterization, DFT calculations, and reactivity study of a nitrido-bridged dimeric vanadium(iv) complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1200","1206","10.1039/c9dt04544a","","","1.54178","CuKα","","0.038","0.0361","","","0.0943","0.0958","","","","","","1.067","","","","has coordinates,has disorder","247721","2020-10-21","18:00:00",""
"7703003","14.7867","0.0002","4.6209","0.0001","27.4643","0.0003","90","","94.362","0.001","90","","1871.14","0.05","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 O3 S2 -","- C20 H24 O3 S2 -","- C80 H96 O12 S8 -","4","1","","Kim, Seulgi; Park, In-Hyeok; Choi, Han-Byeol; Ju, Huiyeong; Lee, Eunji; Herng, Tun Seng; Ding, Jun; Jung, Jong Hwa; Lee, Shim Sung","Formation of a four-bladed waterwheel-type chloro-bridged dicopper(ii) complex with dithiamacrocycle via double exo-coordination.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1365","1369","10.1039/c9dt04372a","","","0.71073","MoKα","","0.0394","0.0332","","","0.0828","0.0862","","","","","","1.025","","","","has coordinates","248938","2020-10-21","18:00:00",""
"7703004","16.627","0.009","16.627","0.009","19.05","0.01","90","","90","","90","","5267","5","173","2","173","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C84 H112 Cl2 Cu2 N2 O26 S8 -","- C84 H112 Cl2 Cu2 N2 O26 S8 -","- C168 H224 Cl4 Cu4 N4 O52 S16 -","2","0.125","","Kim, Seulgi; Park, In-Hyeok; Choi, Han-Byeol; Ju, Huiyeong; Lee, Eunji; Herng, Tun Seng; Ding, Jun; Jung, Jong Hwa; Lee, Shim Sung","Formation of a four-bladed waterwheel-type chloro-bridged dicopper(ii) complex with dithiamacrocycle via double exo-coordination.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1365","1369","10.1039/c9dt04372a","","","0.71073","MoKα","","0.1124","0.0696","","","0.1995","0.2234","","","","","","1.045","","","","has coordinates","248938","2020-10-21","18:00:00",""
"7703005","7.998","0.0002","13.8621","0.0003","17.8754","0.0004","90","","90","","90","","1981.83","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O3 S2 -","- C21 H26 O3 S2 -","- C84 H104 O12 S8 -","4","1","","Kim, Seulgi; Park, In-Hyeok; Choi, Han-Byeol; Ju, Huiyeong; Lee, Eunji; Herng, Tun Seng; Ding, Jun; Jung, Jong Hwa; Lee, Shim Sung","Formation of a four-bladed waterwheel-type chloro-bridged dicopper(ii) complex with dithiamacrocycle via double exo-coordination.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1365","1369","10.1039/c9dt04372a","","","0.71073","MoKα","","0.0357","0.0306","","","0.0621","0.0642","","","","","","1.033","","","","has coordinates","248938","2020-10-21","18:00:00",""
"7703006","17.2239","0.0002","13.0421","0.0002","20.8189","0.0003","90","","90.679","0.001","90","","4676.34","0.11","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Cu N2 O9 S2 -","- C20 H24 Cu N2 O9 S2 -","- C160 H192 Cu8 N16 O72 S16 -","8","1","","Kim, Seulgi; Park, In-Hyeok; Choi, Han-Byeol; Ju, Huiyeong; Lee, Eunji; Herng, Tun Seng; Ding, Jun; Jung, Jong Hwa; Lee, Shim Sung","Formation of a four-bladed waterwheel-type chloro-bridged dicopper(ii) complex with dithiamacrocycle via double exo-coordination.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1365","1369","10.1039/c9dt04372a","","","0.71073","MoKα","","0.0737","0.0423","","","0.0816","0.0915","","","","","","1.034","","","","has coordinates,has disorder","248938","2020-10-21","18:00:00",""
"7703007","13.933","0.0019","14.2147","0.0019","14.591","0.002","110.716","0.002","98.574","0.002","112.773","0.002","2351.2","0.6","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H60 Ge2 Mo20 N24 Ni7 O90 -","- C12 H60 Ge2 Mo20 N24 Ni7 O90 -","- C12 H60 Ge2 Mo20 N24 Ni7 O90 -","1","0.5","","Xu, Hui; Liu, Xing-Man; Su, Tan; Chen, Wei-Chao; Su, Zhong-Min","Two Ni/Co-substituted sandwich-type germanomolybdates based on an unprecedented trivacant polyanion [α-GeMo<sub>10</sub>O<sub>36</sub>]<sup>8</sup>.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","977","982","10.1039/c9dt04433g","","","0.71073","MoKα","","0.0483","0.0351","","","0.0824","0.0893","","","","","","1.039","","","","has coordinates,has disorder","247707","2020-10-21","18:00:00",""
"7703008","13.9114","0.0012","14.1874","0.0012","14.6356","0.0013","110.55","0.004","98.559","0.004","112.651","0.004","2357.5","0.4","173","2","173","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H62 Co7 Ge2 Mo20 N24 O91 -","- C12 H62 Co7 Ge2 Mo20 N24 O91 -","- C12 H62 Co7 Ge2 Mo20 N24 O91 -","1","0.5","","Xu, Hui; Liu, Xing-Man; Su, Tan; Chen, Wei-Chao; Su, Zhong-Min","Two Ni/Co-substituted sandwich-type germanomolybdates based on an unprecedented trivacant polyanion [α-GeMo<sub>10</sub>O<sub>36</sub>]<sup>8</sup>.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","977","982","10.1039/c9dt04433g","","","1.54178","CuKα","","0.0405","0.031","","","0.0675","0.0716","","","","","","1.05","","","","has coordinates,has disorder","247707","2020-10-21","18:00:00",""
"7703009","20.3151","0.0006","7.6382","0.0002","7.8312","0.0002","90","","103.589","0.004","90","","1181.16","0.06","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- F6 H4 Mn3 N O8 P3 -","- F6 H4 Mn3 N O8 P3 -","- F24 H16 Mn12 N4 O32 P12 -","4","0.5","","Jiang, Jianhua; Zhu, Bei; Zhu, Tianyu; Yang, Haoming; Jin, Yong; Lü, Minfeng","Open-framework ammonium transition metal fluorophosphates with a Kagomé lattice network: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","841","849","10.1039/c9dt03370j","","x-ray","0.71073","MoKα","","0.0963","0.0396","","","0.0329","0.0389","","","","1.24","1.24","1.08","","","","has coordinates","247745","2020-10-21","18:00:00",""
"7703010","19.9678","0.0009","7.4883","0.0003","7.5679","0.0003","90","","102.676","0.003","90","","1104.01","0.08","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Co3 F6 H4 N O8 P3 -","- Co3 F6 H4 N O8 P3 -","- Co12 F24 H16 N4 O32 P12 -","4","0.5","","Jiang, Jianhua; Zhu, Bei; Zhu, Tianyu; Yang, Haoming; Jin, Yong; Lü, Minfeng","Open-framework ammonium transition metal fluorophosphates with a Kagomé lattice network: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","841","849","10.1039/c9dt03370j","","x-ray","0.71073","MoKα","","0.0675","0.0477","","","0.0685","0.0789","","","","1.15","1.15","1.15","","","","has coordinates","247745","2020-10-21","18:00:00",""
"7703011","9.4922","0.0015","9.5414","0.0015","9.7672","0.0015","96.308","0.003","92.175","0.003","95.542","0.003","874.1","0.2","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H17 Cl2 N3 O4 Zn -","- C14 H17 Cl2 N3 O4 Zn -","- C28 H34 Cl4 N6 O8 Zn2 -","2","1","","Dasgupta, Sanchari; Karim, Suhana; Banerjee, Saswati; Saha, Moumita; Das Saha, Krishna; Das, Debasis","Designing of novel zinc(ii) Schiff base complexes having acyl hydrazone linkage: study of phosphatase and anti-cancer activities.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1232","1240","10.1039/c9dt04636d","","","0.71073","MoKα","","0.0444","0.0301","","","0.0754","0.0822","","","","","","1.037","","","","has coordinates","247712","2020-10-21","18:00:00",""
"7703012","10.0765","0.0008","11.2853","0.0009","17.8222","0.0014","90","","99.024","0.002","90","","2001.6","0.3","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Cl2 N3 O2 Zn -","- C20 H17 Cl2 N3 O2 Zn -","- C80 H68 Cl8 N12 O8 Zn4 -","4","1","","Dasgupta, Sanchari; Karim, Suhana; Banerjee, Saswati; Saha, Moumita; Das Saha, Krishna; Das, Debasis","Designing of novel zinc(ii) Schiff base complexes having acyl hydrazone linkage: study of phosphatase and anti-cancer activities.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1232","1240","10.1039/c9dt04636d","","","0.71073","MoKα","","0.0404","0.031","","","0.091","0.1042","","","","","","0.859","","","","has coordinates","247712","2020-10-21","18:00:00",""
"7703013","5.66017","0.00004","4.75153","0.00004","41.095","0.0003","90","","93.0499","0.0006","90","","1103.66","0.015","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","copper 6-hydroxy-2-naphtylphosphonate hydrate","","- C20 H20 Cu2 O11 P2 -","- C20 H20 Cu2 O11 P2 -","- C40 H40 Cu4 O22 P4 -","2","0.5","","Beaubras, Félicien; Rueff, Jean-Michel; Perez, Olivier; Veillon, Fabien; Caignaert, Vincent; Lohier, Jean-François; Cardin, Julien; Rogez, Guillaume; Jestin, Charlotte; Couthon, Hélène; Jaffrès, Paul-Alain","M(H<sub>2</sub>O)(PO<sub>3</sub>C<sub>10</sub>H<sub>6</sub>OH)·(H<sub>2</sub>O)<sub>0.5</sub> (M = Co, Mn, Zn, Cu): a new series of layered metallophosphonate compounds obtained from 6-hydroxy-2-naphthylphosphonic acid.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3877","3891","10.1039/c9dt03947c","","","1.54184","CuKα","","0.0374","0.0374","","","0.0965","0.0965","","","","","","1.264","","","","has coordinates,has disorder","250310","2020-10-21","18:00:00",""
"7703014","7.3353","0.0003","40.691","0.002","7.44","0.0002","90","","99.144","0.004","90","","2192.48","0.15","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cobalt 6-hydroxy-2-naphtylphosphonate hydrate","","- C20 H20 Co2 O11 P2 -","- C20 H20 Co2 O11 P2 -","- C80 H80 Co8 O44 P8 -","4","1","","Beaubras, Félicien; Rueff, Jean-Michel; Perez, Olivier; Veillon, Fabien; Caignaert, Vincent; Lohier, Jean-François; Cardin, Julien; Rogez, Guillaume; Jestin, Charlotte; Couthon, Hélène; Jaffrès, Paul-Alain","M(H<sub>2</sub>O)(PO<sub>3</sub>C<sub>10</sub>H<sub>6</sub>OH)·(H<sub>2</sub>O)<sub>0.5</sub> (M = Co, Mn, Zn, Cu): a new series of layered metallophosphonate compounds obtained from 6-hydroxy-2-naphthylphosphonic acid.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3877","3891","10.1039/c9dt03947c","","x-ray","0.71073","MoKα","","0.0758","0.0448","","","0.0992","0.1137","","","","","","1.055","","","","has coordinates,has disorder","250310","2020-10-21","18:00:00",""
"7703015","7.4672","0.0003","40.7737","0.0009","7.6132","0.001","90","","99.045","0.008","90","","2289.1","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","manganese 6-hydroxy-2-naphtylphosphonate hydrate","","- C20 H18 Mn2 O11 P2 -","- C20 H18 Mn2 O11 P2 -","- C80 H72 Mn8 O44 P8 -","4","1","","Beaubras, Félicien; Rueff, Jean-Michel; Perez, Olivier; Veillon, Fabien; Caignaert, Vincent; Lohier, Jean-François; Cardin, Julien; Rogez, Guillaume; Jestin, Charlotte; Couthon, Hélène; Jaffrès, Paul-Alain","M(H<sub>2</sub>O)(PO<sub>3</sub>C<sub>10</sub>H<sub>6</sub>OH)·(H<sub>2</sub>O)<sub>0.5</sub> (M = Co, Mn, Zn, Cu): a new series of layered metallophosphonate compounds obtained from 6-hydroxy-2-naphthylphosphonic acid.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3877","3891","10.1039/c9dt03947c","","x-ray","0.71073","MoKα","","0.2631","0.1097","","","0.1031","0.1256","","","","3.26","3.26","2.4","","","","has coordinates","250310","2020-10-21","18:00:00",""
"7703016","30.8643","0.001","33.5932","0.001","16.8652","0.0005","90","","109.072","0.001","90","","16526.5","0.9","170","2","170","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C114 H70 N12 O24 Th3 en lv so t -","- C113.5 H70 N12 O24 Th3 -","- C454 H280 N48 O96 Th12 -","4","0.5","","Huang, Zhi-Wei; Hu, Kong-Qiu; Mei, Lei; Kong, Xiang-He; Yu, Ji-Pan; Liu, Kang; Zeng, Li-Wen; Chai, Zhi-Fang; Shi, Wei-Qun","A mixed-ligand strategy regulates thorium-based MOFs.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","983","987","10.1039/c9dt04158c","","","1.54178","CuKα","","0.0484","0.0351","","","0.0866","0.0907","","","","","","1.063","","","","has coordinates,has disorder","247709","2020-10-21","18:00:00",""
"7703017","31.969","0.002","33.2567","0.0019","16.7836","0.001","90","","106.849","0.003","90","","17078","1.8","170","2","170","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C116 H72 N10 O24 Th3 en lv so t -","- C116 H72 N10 O24 Th3 -","- C464 H288 N40 O96 Th12 -","4","0.5","","Huang, Zhi-Wei; Hu, Kong-Qiu; Mei, Lei; Kong, Xiang-He; Yu, Ji-Pan; Liu, Kang; Zeng, Li-Wen; Chai, Zhi-Fang; Shi, Wei-Qun","A mixed-ligand strategy regulates thorium-based MOFs.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","983","987","10.1039/c9dt04158c","","","1.54178","CuKα","","0.0711","0.0542","","","0.1329","0.142","","","","","","1.04","","","","has coordinates,has disorder","247709","2020-10-21","18:00:00",""
"7703018","22.9449","0.0007","27.0456","0.0009","25.5786","0.0008","90","","97.896","0.003","90","","15722.5","0.9","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C148 H212 K8 O19 -","- C148 H212 K8 O19 -","- C592 H848 K32 O76 -","4","1","","Arnold, Polly L.; Wang, Kai; Gray, Steven J.; Moreau, Liane M.; Booth, Corwin H.; Curcio, Massimiliano; Wells, Jordann A. L.; Slawin, Alexandra M. Z.","Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","877","884","10.1039/c9dt03291f","","x-ray","0.71073","MoKα","","0.1668","0.0942","","","0.2219","0.2786","","","","","","1.027","","","","has coordinates","247738","2020-10-21","18:00:00",""
"7703019","13.8885","0.0003","14.0584","0.0002","20.1573","0.0003","76.568","0.001","80.439","0.002","62.616","0.002","3391.09","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H73 Cl N6 O2 Pr -","- C62 H73 Cl N6 O2 Pr -","- C124 H146 Cl2 N12 O4 Pr2 -","2","1","","Arnold, Polly L.; Wang, Kai; Gray, Steven J.; Moreau, Liane M.; Booth, Corwin H.; Curcio, Massimiliano; Wells, Jordann A. L.; Slawin, Alexandra M. Z.","Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","877","884","10.1039/c9dt03291f","","x-ray","0.71073","MoKα","","0.0629","0.0446","","","0.1055","0.1129","","","","","","1.049","","","","has coordinates","247738","2020-10-21","18:00:00",""
"7703020","21.7935","0.0006","23.1848","0.0007","24.666","0.001","112.342","0.003","91.967","0.003","92.513","0.002","11499","0.7","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C136 H188 Ce2 K2 O19 -","- C136 H188 Ce2 K2 O19 -","- C272 H376 Ce4 K4 O38 -","2","1","","Arnold, Polly L.; Wang, Kai; Gray, Steven J.; Moreau, Liane M.; Booth, Corwin H.; Curcio, Massimiliano; Wells, Jordann A. L.; Slawin, Alexandra M. Z.","Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","877","884","10.1039/c9dt03291f","","x-ray","0.71073","MoKα","","0.1661","0.1061","","","0.267","0.3166","","","","","","1.025","","","","has coordinates,has disorder","247738","2020-10-21","18:00:00",""
"7703021","13.9455","0.0002","14.0906","0.0002","20.0971","0.0003","76.03","0.001","80.32","0.001","61.847","0.001","3372.09","0.09","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C71 H86 Ce Cl N7 O3 -","- C71 H86 Ce Cl N7 O3 -","- C142 H172 Ce2 Cl2 N14 O6 -","2","1","","Arnold, Polly L.; Wang, Kai; Gray, Steven J.; Moreau, Liane M.; Booth, Corwin H.; Curcio, Massimiliano; Wells, Jordann A. L.; Slawin, Alexandra M. Z.","Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","877","884","10.1039/c9dt03291f","","","0.71073","MoKα","","0.0521","0.0377","","","0.0818","0.088","","","","","","1.054","","","","has coordinates,has disorder","247738","2020-10-21","18:00:00",""
"7703022","15.3646","0.0009","15.4365","0.0009","15.9168","0.0008","95.053","0.004","116.088","0.005","115.951","0.006","2858.8","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H91 I O8 Pr -","- C56 H91 I O8 Pr -","- C112 H182 I2 O16 Pr2 -","2","1","","Arnold, Polly L.; Wang, Kai; Gray, Steven J.; Moreau, Liane M.; Booth, Corwin H.; Curcio, Massimiliano; Wells, Jordann A. L.; Slawin, Alexandra M. Z.","Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","877","884","10.1039/c9dt03291f","","","1.54184","CuKα","","0.0809","0.0655","","","0.1702","0.1823","","","","","","1.068","","","","has coordinates","247738","2020-10-21","18:00:00",""
"7703023","17.6636","0.0003","33.274","0.0006","27.8553","0.0005","90","","92.6191","0.0017","90","","16354.5","0.5","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C164 H244 Ce2 K2 O23 -","- C164 H244 Ce2 K2 O23 -","- C656 H976 Ce8 K8 O92 -","4","0.5","","Arnold, Polly L.; Wang, Kai; Gray, Steven J.; Moreau, Liane M.; Booth, Corwin H.; Curcio, Massimiliano; Wells, Jordann A. L.; Slawin, Alexandra M. Z.","Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","877","884","10.1039/c9dt03291f","","x-ray","0.71073","MoKα","","0.1133","0.0859","","","0.1651","0.1785","","","","","","1.204","","","","has coordinates,has disorder","247738","2020-10-21","18:00:00",""
"7703024","17.29805","0.00013","21.51193","0.00016","25.0448","0.0004","97.6409","0.0009","103.454","0.0009","94.2363","0.0006","8930.03","0.18","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C95 H109 Ce K N8 O4 -","- C95 H109 Ce K N8 O4 -","- C380 H436 Ce4 K4 N32 O16 -","4","2","","Arnold, Polly L.; Wang, Kai; Gray, Steven J.; Moreau, Liane M.; Booth, Corwin H.; Curcio, Massimiliano; Wells, Jordann A. L.; Slawin, Alexandra M. Z.","Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","877","884","10.1039/c9dt03291f","","x-ray","1.54184","CuKα","","0.0866","0.0793","","","0.2053","0.213","","","","","","1.053","","","","has coordinates","247738","2020-10-21","18:00:00",""
"7703025","10.958","0.0006","18.271","0.001","14.4742","0.0007","90","","97.547","0.005","90","","2872.8","0.3","120","0.14","120","0.14","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C64 H86 O4 -","- C64 H86 O4 -","- C128 H172 O8 -","2","0.5","","Arnold, Polly L.; Wang, Kai; Gray, Steven J.; Moreau, Liane M.; Booth, Corwin H.; Curcio, Massimiliano; Wells, Jordann A. L.; Slawin, Alexandra M. Z.","Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","877","884","10.1039/c9dt03291f","","x-ray","0.71073","MoKα","","0.1238","0.0709","","","0.1331","0.1525","","","","","","1.031","","","","has coordinates,has disorder","247738","2020-10-21","18:00:00",""
"7703026","18.6073","0.0007","31.2563","0.0011","33.684","0.002","90","","101.184","0.005","90","","19218.4","1.5","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C180 H276 K2 O21 Pr2 -","- C180 H276 K2 O21 Pr2 -","- C720 H1104 K8 O84 Pr8 -","4","1","","Arnold, Polly L.; Wang, Kai; Gray, Steven J.; Moreau, Liane M.; Booth, Corwin H.; Curcio, Massimiliano; Wells, Jordann A. L.; Slawin, Alexandra M. Z.","Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","877","884","10.1039/c9dt03291f","","x-ray","1.54184","CuKα","","0.1678","0.1068","","","0.2719","0.3281","","","","","","1.022","","","","has coordinates","247738","2020-10-21","18:00:00",""
"7703027","19.7117","0.0003","23.3826","0.0004","25.9038","0.0006","82.21","0.002","74.578","0.002","82.797","0.001","11353.2","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","WK-LPT-BH4","","- C233 H293 B4 Ce4 N21 O8 -","- C233 H293 B4 Ce4 N21 O8 -","- C466 H586 B8 Ce8 N42 O16 -","2","1","","Arnold, Polly L.; Wang, Kai; Gray, Steven J.; Moreau, Liane M.; Booth, Corwin H.; Curcio, Massimiliano; Wells, Jordann A. L.; Slawin, Alexandra M. Z.","Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","877","884","10.1039/c9dt03291f","","x-ray","0.71073","MoKα","","0.1345","0.0655","","","0.112","0.134","","","","","","1.01","","","","has coordinates,has disorder","247738","2020-10-21","18:00:00",""
"7703028","16.5331","0.0002","31.1551","0.0004","36.0837","0.0006","90","","99.828","0.002","90","","18313.6","0.5","93","","93.15","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C300 H420 Ce4 O24 -","- C300 H420 Ce4 O24 -","- C600 H840 Ce8 O48 -","2","1","","Arnold, Polly L.; Wang, Kai; Gray, Steven J.; Moreau, Liane M.; Booth, Corwin H.; Curcio, Massimiliano; Wells, Jordann A. L.; Slawin, Alexandra M. Z.","Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","877","884","10.1039/c9dt03291f","","","0.71075","MoKα","","0.1239","0.1112","","","0.2768","0.2878","","","","","","1.061","","","","has coordinates","247738","2020-10-21","18:00:00",""
"7703029","7.4274","0.0005","8.7073","0.0004","9.5745","0.0006","89.309","0.004","74.711","0.005","83.026","0.004","592.74","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 N O4 Te -","- C11 H13 N O4 Te -","- C22 H26 N2 O8 Te2 -","2","1","","Deka, Rajesh; Sarkar, Arup; Butcher, Ray J.; Junk, Peter C.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","Isolation of the novel example of a monomeric organotellurinic acid.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1173","1180","10.1039/c9dt04013g","","","0.71073","MoKα","","0.038","0.0311","","","0.0707","0.0732","","","","","","1.06","","","","has coordinates,has disorder","247722","2020-10-21","18:00:00",""
"7703030","6.841","0.0003","12.7707","0.0006","14.5049","0.0007","90","","97.292","0.004","90","","1256.96","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Cl3 N Te -","- C11 H8 Cl3 N Te -","- C44 H32 Cl12 N4 Te4 -","4","1","","Deka, Rajesh; Sarkar, Arup; Butcher, Ray J.; Junk, Peter C.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","Isolation of the novel example of a monomeric organotellurinic acid.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1173","1180","10.1039/c9dt04013g","","","0.71073","MoKα","","0.0438","0.0329","","","0.0592","0.0652","","","","","","1.063","","","","has coordinates","247722","2020-10-21","18:00:00",""
"7703031","11.5515","0.0004","10.5679","0.0003","21.3676","0.0006","90","","104.168","0.003","90","","2529.11","0.14","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H24 N2 O7 Te2 -","- C24 H24 N2 O7 Te2 -","- C96 H96 N8 O28 Te8 -","4","1","","Deka, Rajesh; Sarkar, Arup; Butcher, Ray J.; Junk, Peter C.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","Isolation of the novel example of a monomeric organotellurinic acid.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1173","1180","10.1039/c9dt04013g","","","0.71073","MoKα","","0.0699","0.049","","","0.1139","0.1265","","","","","","1.023","","","","has coordinates","247722","2020-10-21","18:00:00",""
"7703032","6.825","0.0002","8.4104","0.0003","22.4903","0.0008","90","","90","","90","","1290.97","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 Cl3 N Te -","- C11 H8 Cl3 N Te -","- C44 H32 Cl12 N4 Te4 -","4","1","","Deka, Rajesh; Sarkar, Arup; Butcher, Ray J.; Junk, Peter C.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","Isolation of the novel example of a monomeric organotellurinic acid.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1173","1180","10.1039/c9dt04013g","","","0.71073","MoKα","","0.0403","0.0354","","","0.0653","0.0683","","","","","","1.027","","","","has coordinates","247722","2020-10-21","18:00:00",""
"7703033","17.756","0.004","8.602","0.003","35.078","0.005","90","","99.697","0.019","90","","5281","2","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C23 H20 Cl4 N2 O2 Te2 -","- C23 H20 Cl4 N2 O2 Te2 -","- C184 H160 Cl32 N16 O16 Te16 -","8","1","","Deka, Rajesh; Sarkar, Arup; Butcher, Ray J.; Junk, Peter C.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","Isolation of the novel example of a monomeric organotellurinic acid.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1173","1180","10.1039/c9dt04013g","","","0.71073","MoKα","","0.0362","0.0345","","","0.0712","0.0723","","","","","","1.168","","","","has coordinates,has disorder","247722","2020-10-21","18:00:00",""
"7703034","21.6214","0.0012","10.9205","0.0005","20.4742","0.001","90","","104.226","0.006","90","","4686","0.4","120.03","0.1","120.03","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C53 H58 N2 P2 -","- C53 H58 N2 P2 -","- C212 H232 N8 P8 -","4","1","","Dhara, Debabrata; Das, Shubhajit; Kalita, Pankaj; Maiti, Avijit; Pati, Swapan K.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of N-heterocyclic carbenes (NHCs) on the hydrolysis of a diphosphene.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","993","997","10.1039/c9dt04690a","","x-ray","0.71073","MoKα","","0.0825","0.0627","","","0.1323","0.1396","","","","","","1.066","","","","has coordinates","247720","2020-10-21","18:00:00",""
"7703035","16.7505","0.0007","16.1364","0.0008","18.143","0.0008","90","","98.797","0.005","90","","4846.2","0.4","120.01","0.1","120.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C55 H64 N2 O P2 -","- C55 H64 N2 O P2 -","- C220 H256 N8 O4 P8 -","4","1","","Dhara, Debabrata; Das, Shubhajit; Kalita, Pankaj; Maiti, Avijit; Pati, Swapan K.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of N-heterocyclic carbenes (NHCs) on the hydrolysis of a diphosphene.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","993","997","10.1039/c9dt04690a","","","0.71073","MoKα","","0.0491","0.0374","","","0.0805","0.0837","","","","","","1.046","","","","has coordinates","247720","2020-10-21","18:00:00",""
"7703036","12.9095","0.0006","21.2248","0.0012","23.3462","0.0011","66.943","0.005","81.227","0.004","81.959","0.004","5794.4","0.5","293.12","0.1","293.12","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C132 H159 N4 O2 P4 -","- C132 H159 N4 O2 P4 -","- C264 H318 N8 O4 P8 -","2","1","","Dhara, Debabrata; Das, Shubhajit; Kalita, Pankaj; Maiti, Avijit; Pati, Swapan K.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of N-heterocyclic carbenes (NHCs) on the hydrolysis of a diphosphene.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","993","997","10.1039/c9dt04690a","","x-ray","0.71073","MoKα","","0.0945","0.0575","","","0.1325","0.1483","","","","","","1.041","","","","has coordinates","247720","2020-10-21","18:00:00",""
"7703037","16.698","0.005","10.978","0.003","19.835","0.006","90","","104.241","0.01","90","","3524.2","1.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H29 B F15 N4 O P -","- C35 H29 B F15 N4 O P -","- C140 H116 B4 F60 N16 O4 P4 -","4","1","","Briceno-Strocchia, Alvaro I; Johnstone, Timothy C.; Stephan, Douglas W.","Using frustrated Lewis pairs to explore C-F bond activation.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1319","1324","10.1039/c9dt04588k","","","0.71073","MoKα","","0.0903","0.0443","","","0.1047","0.1246","","","","","","1.026","","","","has coordinates","247717","2020-10-21","18:00:00",""
"7703038","10.5556","0.0006","10.6686","0.0005","18.9054","0.001","98.024","0.003","90.22","0.003","119.185","0.002","1834.15","0.17","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H53 B F3 N4 O P -","- C40 H47.637 B F3 N4 O P -","- C80 H95.274 B2 F6 N8 O2 P2 -","2","1","","Briceno-Strocchia, Alvaro I; Johnstone, Timothy C.; Stephan, Douglas W.","Using frustrated Lewis pairs to explore C-F bond activation.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1319","1324","10.1039/c9dt04588k","","","0.71073","MoKα","","0.0752","0.0517","","","0.132","0.1455","","","","","","1.025","","","","has coordinates,has disorder","247717","2020-10-21","18:00:00",""
"7703039","9.0748","0.0008","14.7556","0.0014","17.468","0.0017","71.896","0.005","89.899","0.005","89.942","0.006","2223.2","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H28 F3 N4 O4 P S -","- C18 H28 F3 N4 O4 P S -","- C72 H112 F12 N16 O16 P4 S4 -","4","2","","Briceno-Strocchia, Alvaro I; Johnstone, Timothy C.; Stephan, Douglas W.","Using frustrated Lewis pairs to explore C-F bond activation.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1319","1324","10.1039/c9dt04588k","","","0.71073","MoKα","","0.1458","0.0488","","","0.0806","0.0996","","","","","","0.7597","","","","has coordinates","247717","2020-10-21","18:00:00",""
"7703040","12.4276","0.0011","24.0925","0.0018","22.4107","0.0016","90","","97.991","0.007","90","","6644.9","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H81 Co5 N2 O18 -","- C48 H81 Co5 N2 O18 -","- C192 H324 Co20 N8 O72 -","4","1","","Fiorini, Guillermo; Carrella, Luca; Rentschler, Eva; Alborés, Pablo","Structural characterization and magnetic property studies of a mixed-valence {Co<sup>III</sup>Co} complex with a μ<sub>4</sub>-oxo tetrahedral {Co} motif.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","932","940","10.1039/c9dt03561c","","","0.71073","MoKα","","0.1992","0.0947","","","0.2268","0.3092","","","","","","1.03","","","","has coordinates,has disorder","247740","2020-10-21","18:00:00",""
"7703041","16.5619","0.0003","16.8748","0.0002","16.9072","0.0002","92.027","0.001","100.314","0.001","98.926","0.001","4582.85","0.12","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C73 H117 Ag2 Mo8 N5 O28 P2 -","- C73 H117 Ag2 Mo8 N5 O28 P2 -","- C146 H234 Ag4 Mo16 N10 O56 P4 -","2","1","","Chupina, Anastasia V.; Shayapov, Vladimir; Novikov, Alexander S.; Volchek, Victoria V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","[{AgL}<sub>2</sub>Mo<sub>8</sub>O<sub>26</sub>]<sup>n-</sup> complexes: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1522","1530","10.1039/c9dt04043a","","x-ray","0.71073","MoKα","","0.038","0.0263","","","0.0551","0.0581","","","","","","1.041","","","","has coordinates,has disorder","248942","2020-10-21","18:00:00",""
"7703042","13.8102","0.0016","19.359","0.0007","15.2005","0.0011","90","","116.826","0.012","90","","3626.5","0.6","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H94 Ag2 Br2 Mo8 N6 O28 -","- C48 H94 Ag2 Br2 Mo8 N6 O28 -","- C96 H188 Ag4 Br4 Mo16 N12 O56 -","2","0.5","","Chupina, Anastasia V.; Shayapov, Vladimir; Novikov, Alexander S.; Volchek, Victoria V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","[{AgL}<sub>2</sub>Mo<sub>8</sub>O<sub>26</sub>]<sup>n-</sup> complexes: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1522","1530","10.1039/c9dt04043a","","x-ray","0.71073","MoKα","","0.0789","0.0438","","","0.0713","0.0824","","","","","","1.021","","","","has coordinates","248942","2020-10-21","18:00:00",""
"7703043","13.7196","0.0004","15.0038","0.0004","22.9225","0.0007","90","","105.954","0.003","90","","4536.8","0.2","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H116 Ag2 As2 Mo8 N4 O28 -","- C74 H116 Ag2 As2 Mo8 N4 O28 -","- C148 H232 Ag4 As4 Mo16 N8 O56 -","2","0.5","","Chupina, Anastasia V.; Shayapov, Vladimir; Novikov, Alexander S.; Volchek, Victoria V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","[{AgL}<sub>2</sub>Mo<sub>8</sub>O<sub>26</sub>]<sup>n-</sup> complexes: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1522","1530","10.1039/c9dt04043a","","x-ray","0.71073","MoKα","","0.0431","0.0295","","","0.0628","0.0674","","","","","","1.058","","","","has coordinates","248942","2020-10-21","18:00:00",""
"7703044","13.6714","0.0006","14.9284","0.0005","22.8407","0.001","90","","105.875","0.004","90","","4483.8","0.3","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H116 Ag2 Mo8 N4 O28 P2 -","- C74 H116 Ag2 Mo8 N4 O28 P2 -","- C148 H232 Ag4 Mo16 N8 O56 P4 -","2","0.5","","Chupina, Anastasia V.; Shayapov, Vladimir; Novikov, Alexander S.; Volchek, Victoria V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","[{AgL}<sub>2</sub>Mo<sub>8</sub>O<sub>26</sub>]<sup>n-</sup> complexes: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1522","1530","10.1039/c9dt04043a","","x-ray","0.71073","MoKα","","0.0571","0.0351","","","0.0664","0.0764","","","","","","1.064","","","","has coordinates","248942","2020-10-21","18:00:00",""
"7703045","16.7622","0.0008","16.303","0.0007","23.535","0.0009","90","","90","","90","","6431.5","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H84 Ag2 Mo8 N6 O26 -","- C42 H84 Ag2 Mo8 N6 O26 -","- C168 H336 Ag8 Mo32 N24 O104 -","4","0.5","","Chupina, Anastasia V.; Shayapov, Vladimir; Novikov, Alexander S.; Volchek, Victoria V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","[{AgL}<sub>2</sub>Mo<sub>8</sub>O<sub>26</sub>]<sup>n-</sup> complexes: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1522","1530","10.1039/c9dt04043a","","x-ray","0.71073","MoKα","","0.0605","0.0382","","","0.0824","0.0913","","","","","","1.114","","","","has coordinates","248942","2020-10-21","18:00:00",""
"7703046","13.8548","0.0007","19.3512","0.0006","15.1241","0.0008","90","","117.004","0.007","90","","3612.8","0.4","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H94 Ag2 Cl2 Mo8 N6 O28 -","- C48 H94 Ag2 Cl2 Mo8 N6 O28 -","- C96 H188 Ag4 Cl4 Mo16 N12 O56 -","2","0.5","","Chupina, Anastasia V.; Shayapov, Vladimir; Novikov, Alexander S.; Volchek, Victoria V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","[{AgL}<sub>2</sub>Mo<sub>8</sub>O<sub>26</sub>]<sup>n-</sup> complexes: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1522","1530","10.1039/c9dt04043a","","x-ray","0.71073","MoKα","","0.0493","0.0356","","","0.0806","0.0864","","","","","","1.042","","","","has coordinates","248942","2020-10-21","18:00:00",""
"7703047","16.9154","0.0008","18.2535","0.0006","16.9286","0.0008","90","","118.481","0.006","90","","4594.4","0.4","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H116 Ag2 Mo8 N4 O28 Sb2 -","- C74 H116 Ag2 Mo8 N4 O28 Sb2 -","- C148 H232 Ag4 Mo16 N8 O56 Sb4 -","2","0.5","","Chupina, Anastasia V.; Shayapov, Vladimir; Novikov, Alexander S.; Volchek, Victoria V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","[{AgL}<sub>2</sub>Mo<sub>8</sub>O<sub>26</sub>]<sup>n-</sup> complexes: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1522","1530","10.1039/c9dt04043a","","x-ray","0.71073","MoKα","","0.0319","0.0257","","","0.0624","0.0648","","","","","","1.045","","","","has coordinates,has disorder","248942","2020-10-21","18:00:00",""
"7703048","13.8249","0.0008","19.4381","0.0007","15.3544","0.0009","90","","116.353","0.007","90","","3697.4","0.4","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H94 Ag2 I2 Mo8 N6 O28 -","- C48 H94 Ag2 I2 Mo8 N6 O28 -","- C96 H188 Ag4 I4 Mo16 N12 O56 -","2","0.5","","Chupina, Anastasia V.; Shayapov, Vladimir; Novikov, Alexander S.; Volchek, Victoria V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","[{AgL}<sub>2</sub>Mo<sub>8</sub>O<sub>26</sub>]<sup>n-</sup> complexes: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1522","1530","10.1039/c9dt04043a","","x-ray","0.71073","MoKα","","0.0459","0.0357","","","0.0912","0.0967","","","","","","1.052","","","","has coordinates","248942","2020-10-21","18:00:00",""
"7703049","11.3665","0.0004","12.0432","0.0004","12.7074","0.0004","94.658","0.003","90.989","0.003","95.871","0.003","1724.09","0.1","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H70 Ag2 Mo6 N8 O25 P2 -","- C52 H70 Ag2 Mo6 N8 O25 P2 -","- C52 H70 Ag2 Mo6 N8 O25 P2 -","1","0.5","","Chupina, Anastasia V.; Shayapov, Vladimir; Novikov, Alexander S.; Volchek, Victoria V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","[{AgL}<sub>2</sub>Mo<sub>8</sub>O<sub>26</sub>]<sup>n-</sup> complexes: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1522","1530","10.1039/c9dt04043a","","x-ray","0.71073","MoKα","","0.0285","0.0237","","","0.0541","0.0562","","","","","","1.055","","","","has coordinates","248942","2020-10-21","18:00:00",""
"7703050","14.158","0.0004","14.8963","0.0005","19.5225","0.0006","88.701","0.002","71.414","0.003","82.71","0.002","3870.4","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H108 Ag2 Mo8 N6 O28 -","- C54 H108 Ag2 Mo8 N6 O28 -","- C108 H216 Ag4 Mo16 N12 O56 -","2","1","","Chupina, Anastasia V.; Shayapov, Vladimir; Novikov, Alexander S.; Volchek, Victoria V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","[{AgL}<sub>2</sub>Mo<sub>8</sub>O<sub>26</sub>]<sup>n-</sup> complexes: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1522","1530","10.1039/c9dt04043a","","x-ray","0.71073","MoKα","","0.0562","0.0356","","","0.0694","0.0771","","","","","","1.011","","","","has coordinates","248942","2020-10-21","18:00:00",""
"7703051","13.0475","0.0005","16.5992","0.0006","17.9506","0.0007","88.636","0.003","74.794","0.004","68.719","0.004","3484.7","0.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H93 Ag2 Mo8 N9 O27 -","- C45 H93 Ag2 Mo8 N9 O27 -","- C90 H186 Ag4 Mo16 N18 O54 -","2","1","","Chupina, Anastasia V.; Shayapov, Vladimir; Novikov, Alexander S.; Volchek, Victoria V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","[{AgL}<sub>2</sub>Mo<sub>8</sub>O<sub>26</sub>]<sup>n-</sup> complexes: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1522","1530","10.1039/c9dt04043a","","x-ray","0.71073","MoKα","","0.1216","0.0576","","","0.1122","0.1303","","","","","","0.959","","","","has coordinates,has disorder","248942","2020-10-21","18:00:00",""
"7703052","7.1213","0.0003","10.9493","0.0005","13.8046","0.0006","81.707","0.004","88.055","0.004","72.596","0.004","1016.32","0.08","139.1","0.3","139.1","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C50 H34 Cu N6 O7 -","- C50 H34 Cu N6 O7 -","- C50 H34 Cu N6 O7 -","1","0.5","","Dai, Xue-Jiao; Wang, Jia-Jun; Li, Lei; Ding, Bo; Liu, Zheng-Yu; Zhao, Xiao-Jun; Yang, En-Cui","Substituent group-tunable hydrogen evolution activity observed in isostructural Cu(ii)-based coordination polymer photocatalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1674","1680","10.1039/c9dt04567h","","x-ray","1.54184","CuKα","","0.0508","0.043","","","0.1074","0.1144","","","","","","1.059","","","","has coordinates,has disorder","248944","2020-10-21","18:00:00",""
"7703053","7.1161","0.0008","10.8134","0.0014","13.898","0.002","81.988","0.012","86.064","0.01","74.16","0.01","1018.3","0.2","127","1","127","1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H33 Cu N7 O8 -","- C50 H33 Cu N7 O8 -","- C50 H33 Cu N7 O8 -","1","0.5","","Dai, Xue-Jiao; Wang, Jia-Jun; Li, Lei; Ding, Bo; Liu, Zheng-Yu; Zhao, Xiao-Jun; Yang, En-Cui","Substituent group-tunable hydrogen evolution activity observed in isostructural Cu(ii)-based coordination polymer photocatalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1674","1680","10.1039/c9dt04567h","","x-ray","0.71073","MoKα","","0.1388","0.0998","","","0.1954","0.2115","","","","","","1.183","","","","has coordinates,has disorder","248944","2020-10-21","18:00:00",""
"7703054","7.2467","0.0013","10.935","0.002","13.919","0.003","82.29","0.004","87.182","0.004","72.275","0.004","1041.1","0.3","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H32 Br Cu N6 O6 -","- C50 H32 Br Cu N6 O6 -","- C50 H32 Br Cu N6 O6 -","1","0.5","","Dai, Xue-Jiao; Wang, Jia-Jun; Li, Lei; Ding, Bo; Liu, Zheng-Yu; Zhao, Xiao-Jun; Yang, En-Cui","Substituent group-tunable hydrogen evolution activity observed in isostructural Cu(ii)-based coordination polymer photocatalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1674","1680","10.1039/c9dt04567h","","","0.71073","MoKα","","0.1339","0.0911","","","0.2312","0.2565","","","","","","1.073","","","","has coordinates,has disorder","248944","2020-10-21","18:00:00",""
"7703055","8.5677","0.0004","10.2597","0.0005","16.9517","0.0008","98.385","0.001","98.093","0.001","104.752","0.001","1400.7","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H38 Cl N2 P Ru -","- C32 H38 Cl N2 P Ru -","- C64 H76 Cl2 N4 P2 Ru2 -","2","1","","Kalsin, Alexander M.; Peganova, Tatyana A.; Sinopalnikova, Iana S.; Fedyanin, Ivan V.; Belkova, Natalia V.; Deydier, Eric; Poli, Rinaldo","Mechanistic diversity in acetophenone transfer hydrogenation catalyzed by ruthenium iminophosphonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1473","1484","10.1039/c9dt04532e","","","0.71073","MoKα","","0.0352","0.0283","","","0.0636","0.0672","","","","","","1.027","","","","has coordinates","248935","2020-10-21","18:00:00",""
"7703056","8.3234","0.0004","9.3567","0.0005","24.2732","0.0013","86.402","0.004","84.285","0.003","74.464","0.003","1810.98","0.16","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H42 Cl N2 O4 P Ru -","- C40 H42 Cl N2 O4 P Ru -","- C80 H84 Cl2 N4 O8 P2 Ru2 -","2","1","","Kalsin, Alexander M.; Peganova, Tatyana A.; Sinopalnikova, Iana S.; Fedyanin, Ivan V.; Belkova, Natalia V.; Deydier, Eric; Poli, Rinaldo","Mechanistic diversity in acetophenone transfer hydrogenation catalyzed by ruthenium iminophosphonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1473","1484","10.1039/c9dt04532e","","","1.54178","CuKα","","0.0687","0.0626","","","0.1499","0.1534","","","","","","1.029","","","","has coordinates,has disorder","248935","2020-10-21","18:00:00",""
"7703057","14.8955","0.0004","8.8088","0.0003","20.4146","0.0006","90","","109.922","0.001","90","","2518.33","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-Butylpyridinium catena-mu2-cyanotri-mu2-iododicopper(I)","","- C19 H28 Cu2 I3 N3 -","- C19 H28 Cu2 I3 N3 -","- C76 H112 Cu8 I12 N12 -","4","1","","Wells, Taylor C.; Streep, Michaela E.; Martucci, Abigail L.; Nicholas, Aaron D.; Pike, Robert D.","Alkyl pyridinium iodocyanocuprate(i) chains (RPy)<sub>2</sub>[Cu<sub>2</sub>I<sub>3</sub>(CN)]: insight into structural, electronic and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1492","1500","10.1039/c9dt04340c","","","1.54178","CuKα","","0.0362","0.0338","","","0.0815","0.0827","","","","","","1.198","","","","has coordinates,has disorder","248936","2020-10-21","18:00:00",""
"7703058","10.8148","0.0014","14.4485","0.0019","14.7668","0.0019","90","","102.129","0.002","90","","2255.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-Propylpyridinium catena-mu2-cyanotri-mu2-iododicopper(I)","","- C17 H24 Cu2 I3 N3 -","- C17 H24 Cu2 I3 N3 -","- C68 H96 Cu8 I12 N12 -","4","1","","Wells, Taylor C.; Streep, Michaela E.; Martucci, Abigail L.; Nicholas, Aaron D.; Pike, Robert D.","Alkyl pyridinium iodocyanocuprate(i) chains (RPy)<sub>2</sub>[Cu<sub>2</sub>I<sub>3</sub>(CN)]: insight into structural, electronic and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1492","1500","10.1039/c9dt04340c","","","0.71073","MoKα","","0.0278","0.0185","","","0.0349","0.0376","","","","","","1.027","","","","has coordinates,has disorder","248936","2020-10-21","18:00:00",""
"7703059","14.3925","0.0007","16.2544","0.0008","9.1907","0.0006","90","","105.184","0.001","90","","2075","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-Ethylpyridinium catena-mu2-cyanotri-mu2-iododicopper(I)","","- C15 H20 Cu2 I3 N3 -","- C15 H20 Cu2 I3 N3 -","- C60 H80 Cu8 I12 N12 -","4","0.5","","Wells, Taylor C.; Streep, Michaela E.; Martucci, Abigail L.; Nicholas, Aaron D.; Pike, Robert D.","Alkyl pyridinium iodocyanocuprate(i) chains (RPy)<sub>2</sub>[Cu<sub>2</sub>I<sub>3</sub>(CN)]: insight into structural, electronic and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1492","1500","10.1039/c9dt04340c","","","0.71073","MoKα","","0.0175","0.0147","","","0.0306","0.0315","","","","","","1.074","","","","has coordinates,has disorder","248936","2020-10-21","18:00:00",""
"7703060","14.6496","0.0006","31.7022","0.0012","8.2725","0.0003","90","","94.514","0.001","90","","3830","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-Methylpyridinium catena-mu2-cyanotri-mu2-iododicopper(I)","","- C26 H32 Cu4 I6 N6 -","- C26 H32 Cu4 I6 N6 -","- C104 H128 Cu16 I24 N24 -","4","1","","Wells, Taylor C.; Streep, Michaela E.; Martucci, Abigail L.; Nicholas, Aaron D.; Pike, Robert D.","Alkyl pyridinium iodocyanocuprate(i) chains (RPy)<sub>2</sub>[Cu<sub>2</sub>I<sub>3</sub>(CN)]: insight into structural, electronic and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1492","1500","10.1039/c9dt04340c","","","0.71073","","","0.029","0.0226","","","0.0435","0.0449","","","","","","1.149","","","","has coordinates,has disorder","248936","2020-10-21","18:00:00",""
"7703061","10.6012","0.0004","8.6819","0.0004","12.6458","0.0005","90","","112.502","0.002","90","","1075.29","0.08","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B7 Ba Cs O12 -","- B7 Ba Cs O12 -","- B28 Ba4 Cs4 O48 -","4","1","","Miao, Zhaohong; Yang, Yun; Wei, Zhonglei; Yang, Zhihua; Pan, Shilie","Effect of anion dimensionality on optical properties: the <sub>\ιnfty </sub>[B<sub>7</sub>O<sub>10</sub>(OH)<sub>2</sub>] layer in CsB<sub>7</sub>O<sub>10</sub>(OH)<sub>2</sub>vs. the <sub>\ιnfty </sub>[B<sub>7</sub>O<sub>12</sub>] framework in CsBaB<sub>7</sub>O<sub>12</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1292","1299","10.1039/c9dt04539b","","","0.71073","MoKα","","0.0461","0.0286","","","0.0529","0.0584","","","","","","1.0058","","","","has coordinates","247715","2020-10-21","18:00:00",""
"7703062","9.083","0.005","9.585","0.005","11.938","0.007","90","","97.94","0.006","90","","1029.4","1","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B7 Cs H2 O12 -","- B7 Cs H2 O12 -","- B28 Cs4 H8 O48 -","4","0.5","","Miao, Zhaohong; Yang, Yun; Wei, Zhonglei; Yang, Zhihua; Pan, Shilie","Effect of anion dimensionality on optical properties: the <sub>\ιnfty </sub>[B<sub>7</sub>O<sub>10</sub>(OH)<sub>2</sub>] layer in CsB<sub>7</sub>O<sub>10</sub>(OH)<sub>2</sub>vs. the <sub>\ιnfty </sub>[B<sub>7</sub>O<sub>12</sub>] framework in CsBaB<sub>7</sub>O<sub>12</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1292","1299","10.1039/c9dt04539b","","","0.71073","MoKα","","0.0243","0.0216","","","0.0453","0.0466","","","","","","1.048","","","","has coordinates","247715","2020-10-21","18:00:00",""
"7703063","12.3848","0.0011","23.95","0.003","16.0358","0.0017","90","","90","","90","","4756.5","0.9","150.01","0.1","150.01","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","H2O","","- C56 H36 Fe N10 O2 S2 -","- C56 H36 Fe N10 O2 S2 -","- C224 H144 Fe4 N40 O8 S8 -","4","0.5","","Li, Na; Xue, Jin-Peng; Liu, Jing-Lin; Wang, Yao-Yao; Yao, Zi-Shuo; Tao, Jun","Switchable on-off spin-crossover properties of iron(ii) compounds by trimming intermolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","998","1001","10.1039/c9dt04685b","","x-ray","0.71073","MoKα","","0.1363","0.0876","","","0.1844","0.2108","","","","","","1.061","","","","has coordinates","247725","2020-10-21","18:00:00",""
"7703064","12.0479","0.0017","25.4757","0.0015","14.6834","0.0015","90","","90","","90","","4506.8","0.8","149.99","0.1","149.99","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","C28H16Fe0.5N5S","","- C56 H32 Fe N10 S2 -","- C56 H32 Fe N10 S2 -","- C224 H128 Fe4 N40 S8 -","4","0.5","","Li, Na; Xue, Jin-Peng; Liu, Jing-Lin; Wang, Yao-Yao; Yao, Zi-Shuo; Tao, Jun","Switchable on-off spin-crossover properties of iron(ii) compounds by trimming intermolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","998","1001","10.1039/c9dt04685b","","x-ray","0.71073","MoKα","","0.2009","0.1308","","","0.2657","0.2924","","","","","","1.169","","","","has coordinates","247725","2020-10-21","18:00:00",""
"7703065","12.1817","0.0008","25.003","0.0017","17.0415","0.0013","90","","90","","90","","5190.5","0.6","299.96","0.1","299.96","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","C59H38FeN10O3S2","","- C59 H44 Fe N10 O3 S2 -","- C59 H44 Fe N10 O3 S2 -","- C236 H176 Fe4 N40 O12 S8 -","4","0.5","","Li, Na; Xue, Jin-Peng; Liu, Jing-Lin; Wang, Yao-Yao; Yao, Zi-Shuo; Tao, Jun","Switchable on-off spin-crossover properties of iron(ii) compounds by trimming intermolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","998","1001","10.1039/c9dt04685b","","x-ray","0.71073","MoKα","","0.0795","0.0517","","","0.1259","0.1399","","","","","","1.026","","","","has coordinates,has disorder","247725","2020-10-21","18:00:00",""
"7703066","11.988","0.0003","24.7721","0.0007","16.8246","0.0005","90","","90","","90","","4996.4","0.2","150","0.1","150","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","C59H38FeN10O3S2","","- C59 H44 Fe N10 O3 S2 -","- C59 H44 Fe N10 O3 S2 -","- C236 H176 Fe4 N40 O12 S8 -","4","0.5","","Li, Na; Xue, Jin-Peng; Liu, Jing-Lin; Wang, Yao-Yao; Yao, Zi-Shuo; Tao, Jun","Switchable on-off spin-crossover properties of iron(ii) compounds by trimming intermolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","998","1001","10.1039/c9dt04685b","","x-ray","0.71073","MoKα","","0.0326","0.0299","","","0.0798","0.0816","","","","","","1.037","","","","has coordinates,has disorder","247725","2020-10-21","18:00:00",""
"7703067","12.1381","0.0013","24.95","0.003","16.8691","0.0016","90","","90","","90","","5108.7","1","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","C59H44FeN10O3S2","","- C59 H44 Fe N10 O3 S2 -","- C59 H44 Fe N10 O3 S2 -","- C236 H176 Fe4 N40 O12 S8 -","4","0.5","","Li, Na; Xue, Jin-Peng; Liu, Jing-Lin; Wang, Yao-Yao; Yao, Zi-Shuo; Tao, Jun","Switchable on-off spin-crossover properties of iron(ii) compounds by trimming intermolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","998","1001","10.1039/c9dt04685b","","x-ray","0.71073","MoKα","","0.2312","0.1429","","","0.2453","0.3116","","","","","","1.224","","","","has coordinates,has disorder","247725","2020-10-21","18:00:00",""
"7703068","11.9693","0.0013","24.7798","0.0013","16.7667","0.0009","90","","90","","90","","4973","0.7","149.99","0.1","149.99","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","C59H42FeN10O3S2","","- C59 H44 Fe N10 O3 S2 -","- C59 H44 Fe N10 O3 S2 -","- C236 H176 Fe4 N40 O12 S8 -","4","0.5","","Li, Na; Xue, Jin-Peng; Liu, Jing-Lin; Wang, Yao-Yao; Yao, Zi-Shuo; Tao, Jun","Switchable on-off spin-crossover properties of iron(ii) compounds by trimming intermolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","998","1001","10.1039/c9dt04685b","","x-ray","0.71073","MoKα","","0.1959","0.1401","","","0.2793","0.3159","","","","","","1.214","","","","has coordinates,has disorder","247725","2020-10-21","18:00:00",""
"7703069","12.5057","0.0019","24.082","0.004","16.14","0.002","90","","90","","90","","4860.8","1.2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","1.2H2O","","- C56 H36 Fe N10 O2 S2 -","- C56 H36 Fe N10 O2 S2 -","- C224 H144 Fe4 N40 O8 S8 -","4","0.5","","Li, Na; Xue, Jin-Peng; Liu, Jing-Lin; Wang, Yao-Yao; Yao, Zi-Shuo; Tao, Jun","Switchable on-off spin-crossover properties of iron(ii) compounds by trimming intermolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","998","1001","10.1039/c9dt04685b","","x-ray","0.71073","MoKα","","0.2636","0.1377","","","0.2281","0.287","","","","","","1.095","","","","has coordinates","247725","2020-10-21","18:00:00",""
"7703070","10.03","0.004","12.557","0.004","13.499","0.005","66.078","0.004","84.299","0.005","82.021","0.005","1537.3","1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H46 N4 -","- C32 H46 N4 -","- C64 H92 N8 -","2","1","","Xiao, Lin; Zhao, Yanxia; Qiao, Sijie; Sun, Ziyue; Santoro, Orlando; Redshaw, Carl","Synthesis and structures of mono- and di-nuclear aluminium and zinc complexes bearing α-diimine and related ligands, and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1456","1472","10.1039/c9dt04332b","","","0.71073","MoKα","","0.0981","0.0746","","","0.158","0.1694","","","","","","1.042","","","","has coordinates","248939","2020-10-21","18:00:00",""
"7703071","16.4092","0.0009","9.5095","0.0009","17.0073","0.001","90","","108.349","0.003","90","","2518.9","0.3","130","2","130","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C57 H80 N4 -","- C57 H80 N4 -","- C114 H160 N8 -","2","0.25","","Xiao, Lin; Zhao, Yanxia; Qiao, Sijie; Sun, Ziyue; Santoro, Orlando; Redshaw, Carl","Synthesis and structures of mono- and di-nuclear aluminium and zinc complexes bearing α-diimine and related ligands, and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1456","1472","10.1039/c9dt04332b","","","0.71073","MoKα","","0.1268","0.0936","","","0.1672","0.1849","","","","","","1.058","","","","has coordinates","248939","2020-10-21","18:00:00",""
"7703072","8.505","0.003","13.44","0.005","14.919","0.007","90","","94.584","0.013","90","","1699.9","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H56 Al2 N2 O2 -","- C34 H56 Al2 N2 O2 -","- C68 H112 Al4 N4 O4 -","2","0.5","","Xiao, Lin; Zhao, Yanxia; Qiao, Sijie; Sun, Ziyue; Santoro, Orlando; Redshaw, Carl","Synthesis and structures of mono- and di-nuclear aluminium and zinc complexes bearing α-diimine and related ligands, and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1456","1472","10.1039/c9dt04332b","","","0.71073","MoKα","","0.0394","0.033","","","0.0731","0.077","","","","","","1.029","","","","has coordinates","248939","2020-10-21","18:00:00",""
"7703073","13.9","0.005","18.37","0.006","16.078","0.006","90","","106.95","0.014","90","","3927","2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H64 Al2 N4 -","- C38 H64 Al2 N4 -","- C152 H256 Al8 N16 -","4","1","","Xiao, Lin; Zhao, Yanxia; Qiao, Sijie; Sun, Ziyue; Santoro, Orlando; Redshaw, Carl","Synthesis and structures of mono- and di-nuclear aluminium and zinc complexes bearing α-diimine and related ligands, and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1456","1472","10.1039/c9dt04332b","","","0.71073","MoKα","","0.0877","0.0714","","","0.1953","0.2088","","","","","","1.005","","","","has coordinates","248939","2020-10-21","18:00:00",""
"7703074","8.5697","0.0019","19.226","0.004","18.509","0.004","90","","93.238","0.008","90","","3044.7","1.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H50 N2 Zn -","- C32 H50 N2 Zn -","- C128 H200 N8 Zn4 -","4","1","","Xiao, Lin; Zhao, Yanxia; Qiao, Sijie; Sun, Ziyue; Santoro, Orlando; Redshaw, Carl","Synthesis and structures of mono- and di-nuclear aluminium and zinc complexes bearing α-diimine and related ligands, and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1456","1472","10.1039/c9dt04332b","","","0.71073","MoKα","","0.0696","0.0518","","","0.102","0.1093","","","","","","1.13","","","","has coordinates","248939","2020-10-21","18:00:00",""
"7703075","28.2584","0.0016","15.9307","0.0009","13.3344","0.0006","90","","90","","90","","6002.8","0.6","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C54 H83 N3 O3 Zn3 -","- C54 H83 N3 O3 Zn3 -","- C216 H332 N12 O12 Zn12 -","4","1","","Xiao, Lin; Zhao, Yanxia; Qiao, Sijie; Sun, Ziyue; Santoro, Orlando; Redshaw, Carl","Synthesis and structures of mono- and di-nuclear aluminium and zinc complexes bearing α-diimine and related ligands, and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1456","1472","10.1039/c9dt04332b","","","0.71073","MoKα","","0.0527","0.0399","","","0.0749","0.0796","","","","","","1.038","","","","has coordinates","248939","2020-10-21","18:00:00",""
"7703076","14.239","0.013","8.148","0.003","38.13","0.02","90","","91.22","0.03","90","","4423","5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H66 Al2 N4 -","- C46 H66 Al2 N4 -","- C184 H264 Al8 N16 -","4","1","","Xiao, Lin; Zhao, Yanxia; Qiao, Sijie; Sun, Ziyue; Santoro, Orlando; Redshaw, Carl","Synthesis and structures of mono- and di-nuclear aluminium and zinc complexes bearing α-diimine and related ligands, and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1456","1472","10.1039/c9dt04332b","","","0.71073","MoKα","","0.1043","0.0589","","","0.1038","0.1256","","","","","","1.121","","","","has coordinates","248939","2020-10-21","18:00:00",""
"7703077","13.611","0.003","32.599","0.006","16.534","0.003","90","","95.799","0.003","90","","7299","2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H80 Cl4 Ga2 N4 -","- C57 H80 Cl4 Ga2 N4 -","- C228 H320 Cl16 Ga8 N16 -","4","1","","Xiao, Lin; Zhao, Yanxia; Qiao, Sijie; Sun, Ziyue; Santoro, Orlando; Redshaw, Carl","Synthesis and structures of mono- and di-nuclear aluminium and zinc complexes bearing α-diimine and related ligands, and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1456","1472","10.1039/c9dt04332b","","","0.71073","MoKα","","0.1531","0.0988","","","0.2072","0.2279","","","","","","1.067","","","","has coordinates","248939","2020-10-21","18:00:00",""
"7703078","9.425","0.002","37.074","0.009","8.102","0.002","90","","111.579","0.003","90","","2632.6","1.1","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H41 Al N2 -","- C27 H41 Al N2 -","- C108 H164 Al4 N8 -","4","1","","Xiao, Lin; Zhao, Yanxia; Qiao, Sijie; Sun, Ziyue; Santoro, Orlando; Redshaw, Carl","Synthesis and structures of mono- and di-nuclear aluminium and zinc complexes bearing α-diimine and related ligands, and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1456","1472","10.1039/c9dt04332b","","","0.71073","MoKα","","0.0426","0.0396","","","0.1134","0.1163","","","","","","1.023","","","","has coordinates","248939","2020-10-21","18:00:00",""
"7703079","13.65","0.03","25.08","0.05","24.33","0.05","90","","92.47","0.07","90","","8321","3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H80 Cl4 N4 Zn2 -","- C57 H80 Cl4 N4 Zn2 -","- C228 H320 Cl16 N16 Zn8 -","4","1","","Xiao, Lin; Zhao, Yanxia; Qiao, Sijie; Sun, Ziyue; Santoro, Orlando; Redshaw, Carl","Synthesis and structures of mono- and di-nuclear aluminium and zinc complexes bearing α-diimine and related ligands, and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1456","1472","10.1039/c9dt04332b","","","0.71073","MoKα","","0.1308","0.074","","","0.1906","0.2107","","","","","","1.024","","","","has coordinates","248939","2020-10-21","18:00:00",""
"7703080","18.453","0.002","11.663","0.002","11.0742","0.001","90","","94.348","0.009","90","","2376.5","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H7 Co3 N6 O6 -","- C14 H6 Co3 N6 O6 -","- C56 H24 Co12 N24 O24 -","4","0.5","","Yuan, Jian-Tao; Hou, Juan-Juan; Liu, Xue-Li; Feng, Ya-Ru; Zhang, Xian-Ming","Optimized trimetallic benzotriazole-5-carboxylate MOFs with coordinately unsaturated active sites as an efficient electrocatalyst for the oxygen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","750","756","10.1039/c9dt04295d","","","0.71073","MoKα","","0.1185","0.0691","","","0.1395","0.1713","","","","","","1.02","","","","has coordinates","247755","2020-10-21","18:00:00",""
"7703081","17.7685","0.0009","12.7627","0.0009","11.209","0.0005","90","","95.114","0.004","90","","2531.8","0.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H6 Co2.36 Fe0.19 N6 Ni0.45 O6 -","- C14 H6 Co2.3601 Fe0.1899 N6 Ni0.45 O6 -","- C56 H24 Co9.4404 Fe0.7596 N24 Ni1.8 O24 -","4","0.5","","Yuan, Jian-Tao; Hou, Juan-Juan; Liu, Xue-Li; Feng, Ya-Ru; Zhang, Xian-Ming","Optimized trimetallic benzotriazole-5-carboxylate MOFs with coordinately unsaturated active sites as an efficient electrocatalyst for the oxygen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","750","756","10.1039/c9dt04295d","","","1.54184","CuKα","","0.085","0.0596","","","0.1575","0.1734","","","","","","1.026","","","","has coordinates","247755","2020-10-21","18:00:00",""
"7703082","17.648","0.006","13.038","0.004","11.183","0.002","90","","95.34","0.03","90","","2562","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H7 Co2.79 Fe0.21 N6 O6 -","- C14 H6 Co2.79 Fe0.21 N6 O6 -","- C56 H24 Co11.16 Fe0.84 N24 O24 -","4","0.5","","Yuan, Jian-Tao; Hou, Juan-Juan; Liu, Xue-Li; Feng, Ya-Ru; Zhang, Xian-Ming","Optimized trimetallic benzotriazole-5-carboxylate MOFs with coordinately unsaturated active sites as an efficient electrocatalyst for the oxygen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","750","756","10.1039/c9dt04295d","","","0.71073","MoKα","","0.1093","0.0591","","","0.1126","0.1338","","","","","","1.004","","","","has coordinates","247755","2020-10-21","18:00:00",""
"7703083","8.1762","0.0003","12.406","0.0004","40.2745","0.0012","90","","90","","90","","4085.2","0.2","154.4","0.2","154.4","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H27 Cl2 Cu N3 O -","- C20 H27 Cl2 Cu N3 O -","- C160 H216 Cl16 Cu8 N24 O8 -","8","1","","Liu, Ming; Song, Xue-Qing; Wu, Yuan-Di; Qian, Jing; Xu, Jing-Yuan","Cu(ii)-TACN complexes selectively induce antitumor activity in HepG-2 cells via DNA damage and mitochondrial-ROS-mediated apoptosis.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","114","123","10.1039/c9dt03641e","","x-ray","0.71073","MoKα","","0.0349","0.0301","","","0.0686","0.0718","","","","","","1.051","","","","has coordinates","246373","2020-10-21","18:00:00",""
"7703084","15.4577","0.0009","16.981","0.0011","19.2095","0.0012","66.763","0.006","66.652","0.006","69.687","0.005","4143.6","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H29 N3 O19 S4 Zn3.5 -","- C33 H29 N3 O19 S4 Zn3.5 -","- C66 H58 N6 O38 S8 Zn7 -","2","1","","Yang, Xiao-Gang; Zhai, Zhi-Min; Liu, Xin-Yi; Li, Jin-Yao; Li, Fei-Fei; Ma, Lu-Fang","Sulfur heteroatom-based MOFs with long-lasting room-temperature phosphorescence and high photoelectric response.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","598","602","10.1039/c9dt04046c","","","0.71073","MoKα","","0.1136","0.0922","","","0.2536","0.2729","","","","","","1.06","","","","has coordinates,has disorder","247735","2020-10-21","18:00:00",""
"7703085","7.903","0.0004","10.0174","0.0007","10.5515","0.0008","103.392","0.006","99.731","0.005","92.961","0.005","797.33","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 N2 O4 S2 Zn -","- C16 H10 N2 O4 S2 Zn -","- C32 H20 N4 O8 S4 Zn2 -","2","1","","Yang, Xiao-Gang; Zhai, Zhi-Min; Liu, Xin-Yi; Li, Jin-Yao; Li, Fei-Fei; Ma, Lu-Fang","Sulfur heteroatom-based MOFs with long-lasting room-temperature phosphorescence and high photoelectric response.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","598","602","10.1039/c9dt04046c","","x-ray","0.71073","MoKα","","0.047","0.0384","","","0.0776","0.0818","","","","","","1.03","","","","has coordinates","247735","2020-10-21","18:00:00",""
"7703086","13.248","0.002","14.1411","0.0017","14.322","0.003","114.37","0.016","110.071","0.018","94.339","0.015","2220.4","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H43 Fe3 K O19 S -","- C38 H43 Fe3 K O19 S -","- C76 H86 Fe6 K2 O38 S2 -","2","1","","Shupp, J. Patrick; Rose, Michael J.","Facile hydrogen atom abstraction and sulfide formation in a methyl-thiolate capped iron-sulfur-carbonyl cluster.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","23","26","10.1039/c9dt04098f","","","1.54184","CuKα","","0.1272","0.0881","","","0.2157","0.2572","","","","","","0.999","","","","has coordinates,has disorder","246375","2020-10-21","18:00:00",""
"7703087","11.695","0.0003","15.2437","0.0004","15.3863","0.0004","63","0.003","70.31","0.002","87.375","0.002","2282.27","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H47 Fe3 K O19 S -","- C40 H47 Fe3 K O19 S -","- C80 H94 Fe6 K2 O38 S2 -","2","1","","Shupp, J. Patrick; Rose, Michael J.","Facile hydrogen atom abstraction and sulfide formation in a methyl-thiolate capped iron-sulfur-carbonyl cluster.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","23","26","10.1039/c9dt04098f","","x-ray","0.71073","MoKα","","0.0364","0.0299","","","0.0737","0.0766","","","","","","1.026","","","","has coordinates","246375","2020-10-21","18:00:00",""
"7703088","11.7472","0.0007","15.4129","0.0006","25.0874","0.0008","80.089","0.003","83.912","0.004","72.768","0.004","4266.3","0.3","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H90 Fe5 K2 O35 S2 -","- C74 H90 Fe5 K2 O35 S2 -","- C148 H180 Fe10 K4 O70 S4 -","2","1","","Shupp, J. Patrick; Rose, Michael J.","Facile hydrogen atom abstraction and sulfide formation in a methyl-thiolate capped iron-sulfur-carbonyl cluster.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","23","26","10.1039/c9dt04098f","","x-ray","0.71073","MoKα","","0.1202","0.082","","","0.2029","0.2281","","","","","","1.013","","","","has coordinates","246375","2020-10-21","18:00:00",""
"7703089","10.671","0.003","14.937","0.004","19.407","0.006","103.999","0.005","98.116","0.006","95.146","0.005","2946.6","1.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H48 Fe N14 O5 -","- C61 H48 Fe N14 O5 -","- C122 H96 Fe2 N28 O10 -","2","1","","Senthil Kumar, Kuppusamy; Vela, Sergi; Heinrich, Benoît; Suryadevara, Nithin; Karmazin, Lydia; Bailly, Corinne; Ruben, Mario","Bi-stable spin-crossover in charge-neutral [Fe(R-ptp)<sub>2</sub>] (ptp = 2-(1H-pyrazol-1-yl)-6-(1H-tetrazol-5-yl)pyridine) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1022","1031","10.1039/c9dt04411f","","","0.71073","MoKα","","0.199","0.086","","","0.1925","0.2373","","","","","","0.947","","","","has coordinates","247706","2020-10-21","18:00:00",""
"7703090","14.996","0.0005","12.2416","0.0004","14.5185","0.0004","90","","93.432","0.002","90","","2660.45","0.14","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Fe N14 O4 -","- C24 H20 Fe N14 O4 -","- C96 H80 Fe4 N56 O16 -","4","0.5","","Senthil Kumar, Kuppusamy; Vela, Sergi; Heinrich, Benoît; Suryadevara, Nithin; Karmazin, Lydia; Bailly, Corinne; Ruben, Mario","Bi-stable spin-crossover in charge-neutral [Fe(R-ptp)<sub>2</sub>] (ptp = 2-(1H-pyrazol-1-yl)-6-(1H-tetrazol-5-yl)pyridine) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1022","1031","10.1039/c9dt04411f","","","0.71073","MoKα","","0.0886","0.066","","","0.1506","0.1666","","","","","","1.253","","","","has coordinates,has disorder","247706","2020-10-21","18:00:00",""
"7703091","10.9722","0.0008","22.0874","0.0018","22.1996","0.0018","90","","90","","90","","5380","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N14 O5 Zn -","- C23 H20 N14 O5 Zn -","- C184 H160 N112 O40 Zn8 -","8","1","","Senthil Kumar, Kuppusamy; Vela, Sergi; Heinrich, Benoît; Suryadevara, Nithin; Karmazin, Lydia; Bailly, Corinne; Ruben, Mario","Bi-stable spin-crossover in charge-neutral [Fe(R-ptp)<sub>2</sub>] (ptp = 2-(1H-pyrazol-1-yl)-6-(1H-tetrazol-5-yl)pyridine) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1022","1031","10.1039/c9dt04411f","","","0.71073","MoKα","","0.0528","0.0334","","","0.0752","0.0848","","","","","","1.073","","","","has coordinates","247706","2020-10-21","18:00:00",""
"7703092","16.656","0.0006","10.487","0.0003","13.6439","0.0005","90","","117.812","0.001","90","","2107.9","0.13","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Yttrium-organic Compound","","","- C7 H8 O10 Y -","- C7 H8 O10 Y -","- C56 H64 O80 Y8 -","8","1","","Singha, Debal Kanti; Majee, Prakash; Hui, Sayani; Mondal, Sudip Kumar; Mahata, Partha","Luminescent metal-organic framework-based phosphor for the detection of toxic oxoanions in an aqueous medium.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","829","840","10.1039/c9dt04220b","","","0.71073","MoKα","","0.0273","0.0211","","","0.0509","0.0529","","","","","","1.036","","","","has coordinates","247749","2020-10-21","18:00:00",""
"7703093","15.3627","0.0007","25.6099","0.0013","19.3806","0.001","90","","97.155","0.002","90","","7565.7","0.6","115","2","115.37","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H67 Cl4 Cu4 N18 O4 -","- C76 H67 Cl4 Cu4 N18 O4 -","- C304 H268 Cl16 Cu16 N72 O16 -","4","1","","Krittametaporn, Nuttaporn; Chantarojsiri, Teera; Virachotikul, Arnut; Phomphrai, Khamphee; Kuwamura, Naoto; Kojima, Tatsuhiro; Konno, Takumi; Sangtrirutnugul, Preeyanuch","Influence of catalyst nuclearity on copper-catalyzed aerobic alcohol oxidation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","682","689","10.1039/c9dt03484f","","","0.71073","MoKα","","0.067","0.0565","","","0.155","0.1637","","","","","","1.033","","","","has coordinates","247746","2020-10-21","18:00:00",""
"7703094","10.2363","0.0003","28.3921","0.001","20.3755","0.0008","90","","103.01","0.002","90","","5769.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H56 Cu F6 N9 O3 P -","- C66 H56 Cu F6 N9 O3 P -","- C264 H224 Cu4 F24 N36 O12 P4 -","4","1","","Krittametaporn, Nuttaporn; Chantarojsiri, Teera; Virachotikul, Arnut; Phomphrai, Khamphee; Kuwamura, Naoto; Kojima, Tatsuhiro; Konno, Takumi; Sangtrirutnugul, Preeyanuch","Influence of catalyst nuclearity on copper-catalyzed aerobic alcohol oxidation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","682","689","10.1039/c9dt03484f","","","0.71073","MoKα","","0.0734","0.0594","","","0.1494","0.1612","","","","","","0.886","","","","has coordinates","247746","2020-10-21","18:00:00",""
"7703095","14.284","0.002","14.674","0.002","19.778","0.003","108.886","0.005","91.815","0.006","95.593","0.006","3894.9","1","100","2","99.85","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H79 Br3 Cu3 N18 O9 -","- C77 H79 Br3 Cu3 N18 O9 -","- C154 H158 Br6 Cu6 N36 O18 -","2","1","","Krittametaporn, Nuttaporn; Chantarojsiri, Teera; Virachotikul, Arnut; Phomphrai, Khamphee; Kuwamura, Naoto; Kojima, Tatsuhiro; Konno, Takumi; Sangtrirutnugul, Preeyanuch","Influence of catalyst nuclearity on copper-catalyzed aerobic alcohol oxidation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","682","689","10.1039/c9dt03484f","","x-ray","0.71073","MoKα","","0.0617","0.0493","","","0.1175","0.1259","","","","","","1.043","","","","has coordinates","247746","2020-10-21","18:00:00",""
"7703096","9.3038","0.001","9.3958","0.0008","9.984","0.0015","92.354","0.007","116.196","0.005","111.11","0.006","709.4","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H8 O6 U -","- C14 H8 O6 U -","- C28 H16 O12 U2 -","2","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Zero-, mono- and diperiodic uranyl ion complexes with the diphenate dianion: influences of transition metal ion coordination and differential U<sup>VI</sup> chelation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","817","828","10.1039/c9dt04126e","","","0.71073","MoKα","","0.0504","0.0316","","","0.0494","0.0529","","","","","","0.916","","","","has coordinates","247750","2020-10-21","18:00:00",""
"7703097","9.6239","0.0008","11.7355","0.0007","12.023","0.001","61.358","0.004","67.648","0.004","80.938","0.005","1101.68","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H56 N4 Ni O12 U -","- C44 H56 N4 Ni O12 U -","- C44 H56 N4 Ni O12 U -","1","0.5","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Zero-, mono- and diperiodic uranyl ion complexes with the diphenate dianion: influences of transition metal ion coordination and differential U<sup>VI</sup> chelation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","817","828","10.1039/c9dt04126e","","","0.71073","MoKα","","0.0362","0.0306","","","0.0581","0.0589","","","","","","1.012","","","","has coordinates","247750","2020-10-21","18:00:00",""
"7703098","9.4256","0.0005","15.029","0.0005","15.8358","0.0008","76.635","0.003","78.852","0.002","87.993","0.003","2141.21","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H29 Ag2 N O17 U2 -","- C44 H29 Ag2 N O17 U2 -","- C88 H58 Ag4 N2 O34 U4 -","2","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Zero-, mono- and diperiodic uranyl ion complexes with the diphenate dianion: influences of transition metal ion coordination and differential U<sup>VI</sup> chelation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","817","828","10.1039/c9dt04126e","","","0.71073","MoKα","","0.0371","0.0263","","","0.0562","0.0586","","","","","","1.046","","","","has coordinates,has disorder","247750","2020-10-21","18:00:00",""
"7703099","11.7413","0.0006","12.9324","0.0007","13.9484","0.0005","116.738","0.003","99.863","0.003","104.484","0.003","1729.92","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H68 N6 Ni O22 U2 -","- C70 H68 N6 Ni O22 U2 -","- C70 H68 N6 Ni O22 U2 -","1","0.5","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Zero-, mono- and diperiodic uranyl ion complexes with the diphenate dianion: influences of transition metal ion coordination and differential U<sup>VI</sup> chelation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","817","828","10.1039/c9dt04126e","","","0.71073","MoKα","","0.0359","0.0272","","","0.0538","0.0557","","","","","","1.018","","","","has coordinates","247750","2020-10-21","18:00:00",""
"7703100","9.4464","0.0008","9.6422","0.001","15.019","0.0012","82.508","0.005","73.613","0.005","67.945","0.004","1215.92","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Cu N6 O18 U2 -","- C44 H52 Cu N6 O18 U2 -","- C44 H52 Cu N6 O18 U2 -","1","0.5","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Zero-, mono- and diperiodic uranyl ion complexes with the diphenate dianion: influences of transition metal ion coordination and differential U<sup>VI</sup> chelation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","817","828","10.1039/c9dt04126e","","","0.71073","MoKα","","0.055","0.0393","","","0.0677","0.071","","","","","","0.965","","","","has coordinates","247750","2020-10-21","18:00:00",""
"7703101","9.6615","0.0005","12.0553","0.0004","17.6732","0.0008","90","","92.542","0.003","90","","2056.41","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N2 O6 U -","- C24 H16 N2 O6 U -","- C96 H64 N8 O24 U4 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Zero-, mono- and diperiodic uranyl ion complexes with the diphenate dianion: influences of transition metal ion coordination and differential U<sup>VI</sup> chelation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","817","828","10.1039/c9dt04126e","","","0.71073","MoKα","","0.04","0.0286","","","0.0619","0.0647","","","","","","1.041","","","","has coordinates","247750","2020-10-21","18:00:00",""
"7703102","9.9607","0.0004","11.8944","0.0009","18.54","0.0016","90","","96.404","0.004","90","","2182.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N2 O6 U -","- C26 H16 N2 O6 U -","- C104 H64 N8 O24 U4 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Zero-, mono- and diperiodic uranyl ion complexes with the diphenate dianion: influences of transition metal ion coordination and differential U<sup>VI</sup> chelation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","817","828","10.1039/c9dt04126e","","","0.71073","MoKα","","0.0452","0.0314","","","0.066","0.0696","","","","","","1.04","","","","has coordinates","247750","2020-10-21","18:00:00",""
"7703103","9.6248","0.0009","13.5485","0.001","15.1649","0.0016","88.758","0.006","78.287","0.005","82.984","0.006","1921.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H84 Cu N4 O30 U3 -","- C72 H76 Cu N4 O30 U3 -","- C72 H76 Cu N4 O30 U3 -","1","0.5","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Zero-, mono- and diperiodic uranyl ion complexes with the diphenate dianion: influences of transition metal ion coordination and differential U<sup>VI</sup> chelation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","817","828","10.1039/c9dt04126e","","","0.71073","MoKα","","0.0667","0.0397","","","0.0816","0.088","","","","","","1.026","","","","has coordinates","247750","2020-10-21","18:00:00",""
"7703104","9.3807","0.0005","15.4285","0.0007","16.3847","0.0009","76.348","0.003","74.879","0.003","86.421","0.003","2224.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 N2 O16 U2 -","- C46 H40 N2 O16 U2 -","- C92 H80 N4 O32 U4 -","2","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Zero-, mono- and diperiodic uranyl ion complexes with the diphenate dianion: influences of transition metal ion coordination and differential U<sup>VI</sup> chelation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","817","828","10.1039/c9dt04126e","","","0.71073","MoKα","","0.0433","0.0277","","","0.0578","0.061","","","","","","1.011","","","","has coordinates","247750","2020-10-21","18:00:00",""
"7703105","8.8681","0.0013","9.0206","0.0014","16.558","0.002","79.765","0.013","77.487","0.013","68.12","0.014","1193.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H30 Mn N4 O4 -","- C23 H30 Mn N4 O4 -","- C46 H60 Mn2 N8 O8 -","2","1","","Deka, Hemanta; Kumar, Ankit; Patra, Soumyadip; Awasthi, Mahendra Kumar; Singh, Sanjay Kumar","Synthesis, structure and catalytic activity of manganese(ii) complexes derived from bis(imidazole)methane-based ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","757","763","10.1039/c9dt03886h","","","0.71073","MoKα","","0.1147","0.0768","","","0.1991","0.2405","","","","","","1.077","","","","has coordinates","247742","2020-10-21","18:00:00",""
"7703106","9.183","0.0005","9.2736","0.0005","16.6245","0.001","82.388","0.005","75.759","0.005","67.089","0.005","1262.91","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Mn N4 O5 -","- C24 H32 Mn N4 O5 -","- C48 H64 Mn2 N8 O10 -","2","1","","Deka, Hemanta; Kumar, Ankit; Patra, Soumyadip; Awasthi, Mahendra Kumar; Singh, Sanjay Kumar","Synthesis, structure and catalytic activity of manganese(ii) complexes derived from bis(imidazole)methane-based ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","757","763","10.1039/c9dt03886h","","","0.71073","MoKα","","0.0546","0.0469","","","0.1413","0.1523","","","","","","0.903","","","","has coordinates","247742","2020-10-21","18:00:00",""
"7703107","8.4602","0.0008","8.5103","0.0009","18.4139","0.0019","83.507","0.005","85.826","0.004","81.688","0.004","1301.3","0.2","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H35 B Cl2 N O4 P -","- C25 H35 B Cl2 N O4 P -","- C50 H70 B2 Cl4 N2 O8 P2 -","2","1","","Zhu, Diya; Qu, Zheng-Wang; Stephan, Douglas W.","Addition reactions and diazomethane capture by the intramolecular P-O-B FLP: tBu<sub>2</sub>POBcat.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","901","910","10.1039/c9dt04560k","","","0.71073","MoKα","","0.0803","0.0435","","","0.0856","0.0987","","","","","","1.0323","","","","has coordinates","247739","2020-10-21","18:00:00",""
"7703108","8.4123","0.0012","23.192","0.003","14.1688","0.0016","90","","93.502","0.007","90","","2759.1","0.6","150","2","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 B Cl2 O5 P -","- C29 H32 B Cl2 O5 P -","- C116 H128 B4 Cl8 O20 P4 -","4","1","","Zhu, Diya; Qu, Zheng-Wang; Stephan, Douglas W.","Addition reactions and diazomethane capture by the intramolecular P-O-B FLP: tBu<sub>2</sub>POBcat.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","901","910","10.1039/c9dt04560k","","","0.71073","MoKα","","0.1489","0.0808","","","0.1971","0.2358","","","","","","1.0494","","","","has coordinates","247739","2020-10-21","18:00:00",""
"7703109","9.1682","0.0005","10.2095","0.0006","11.9282","0.0008","95.406","0.004","100.075","0.004","103.545","0.004","1058.01","0.11","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 B O3 P -","- C24 H26 B O3 P -","- C48 H52 B2 O6 P2 -","2","1","","Zhu, Diya; Qu, Zheng-Wang; Stephan, Douglas W.","Addition reactions and diazomethane capture by the intramolecular P-O-B FLP: tBu<sub>2</sub>POBcat.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","901","910","10.1039/c9dt04560k","","","0.71073","MoKα","","0.1074","0.0556","","","0.1195","0.1414","","","","","","1.016","","","","has coordinates","247739","2020-10-21","18:00:00",""
"7703110","10.2242","0.0005","12.1371","0.0006","27.8749","0.0013","90","","98.86","0.004","90","","3417.8","0.3","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H50 B2 N2 O8 P2 -","- C32 H50 B2 N2 O8 P2 -","- C128 H200 B8 N8 O32 P8 -","4","1","","Zhu, Diya; Qu, Zheng-Wang; Stephan, Douglas W.","Addition reactions and diazomethane capture by the intramolecular P-O-B FLP: tBu<sub>2</sub>POBcat.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","901","910","10.1039/c9dt04560k","","","0.71073","MoKα","","0.1475","0.0684","","","0.1226","0.1503","","","","","","1.0499","","","","has coordinates","247739","2020-10-21","18:00:00",""
"7703111","10.068","0.0008","15.7236","0.0012","10.3832","0.0006","90","","116.613","0.004","90","","1469.57","0.19","150","2","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 B2 O6 P2 -","- C28 H44 B2 O6 P2 -","- C56 H88 B4 O12 P4 -","2","0.5","","Zhu, Diya; Qu, Zheng-Wang; Stephan, Douglas W.","Addition reactions and diazomethane capture by the intramolecular P-O-B FLP: tBu<sub>2</sub>POBcat.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","901","910","10.1039/c9dt04560k","","","0.71073","MoKα","","0.0654","0.0411","","","0.0877","0.0988","","","","","","1.0312","","","","has coordinates","247739","2020-10-21","18:00:00",""
"7703112","12.434","0.01","12.992","0.01","14.929","0.012","69.501","0.017","87.98","0.03","70.6","0.04","2122","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H27 B N O4 P -","- C21 H27 B N O4 P -","- C84 H108 B4 N4 O16 P4 -","4","2","","Zhu, Diya; Qu, Zheng-Wang; Stephan, Douglas W.","Addition reactions and diazomethane capture by the intramolecular P-O-B FLP: tBu<sub>2</sub>POBcat.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","901","910","10.1039/c9dt04560k","","","0.71073","MoKα","","0.1093","0.0514","","","0.0962","0.1155","","","","","","0.994","","","","has coordinates","247739","2020-10-21","18:00:00",""
"7703113","11.168","0.005","14.565","0.007","16.547","0.007","104.696","0.013","90.64","0.02","103.469","0.012","2525","2","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H32 B N2 O3 P -","- C27 H32 B N2 O3 P -","- C108 H128 B4 N8 O12 P4 -","4","2","","Zhu, Diya; Qu, Zheng-Wang; Stephan, Douglas W.","Addition reactions and diazomethane capture by the intramolecular P-O-B FLP: tBu<sub>2</sub>POBcat.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","901","910","10.1039/c9dt04560k","","","0.71073","MoKα","","0.1335","0.0634","","","0.1263","0.1519","","","","","","1.017","","","","has coordinates","247739","2020-10-21","18:00:00",""
"7703114","12.976","0.0013","14.0764","0.0012","12.6962","0.0012","90","","111.493","0.005","90","","2157.8","0.4","150","2","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 B Cl2 O3 P S2 -","- C16 H24 B Cl2 O3 P S2 -","- C64 H96 B4 Cl8 O12 P4 S8 -","4","1","","Zhu, Diya; Qu, Zheng-Wang; Stephan, Douglas W.","Addition reactions and diazomethane capture by the intramolecular P-O-B FLP: tBu<sub>2</sub>POBcat.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","901","910","10.1039/c9dt04560k","","","0.71073","MoKα","","0.1038","0.0492","","","0.0971","0.1171","","","","","","1.004","","","","has coordinates","247739","2020-10-21","18:00:00",""
"7703115","11.635","0.017","12.086","0.018","13.25","0.02","90.56","0.05","109.67","0.05","91.88","0.03","1753","5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H74 B2 Cl2 N4 O6 P2 -","- C75 H74 B2 Cl2 N4 O6 P2 -","- C75 H74 B2 Cl2 N4 O6 P2 -","1","0.5","","Zhu, Diya; Qu, Zheng-Wang; Stephan, Douglas W.","Addition reactions and diazomethane capture by the intramolecular P-O-B FLP: tBu<sub>2</sub>POBcat.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","901","910","10.1039/c9dt04560k","","","0.71073","MoKα","","0.1338","0.0651","","","0.166","0.1964","","","","","","1.052","","","","has coordinates,has disorder","247739","2020-10-21","18:00:00",""
"7703116","16.8669","0.0015","10.5925","0.0008","17.1483","0.0015","90","","90","","90","","3063.8","0.4","150","2","150.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H44 B2 O8 P2 -","- C28 H44 B2 O8 P2 -","- C112 H176 B8 O32 P8 -","4","0.5","","Zhu, Diya; Qu, Zheng-Wang; Stephan, Douglas W.","Addition reactions and diazomethane capture by the intramolecular P-O-B FLP: tBu<sub>2</sub>POBcat.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","901","910","10.1039/c9dt04560k","","","0.71073","MoKα","","0.0417","0.0328","","","0.0858","0.0994","","","","","","1.1044","","","","has coordinates","247739","2020-10-21","18:00:00",""
"7703117","30.6129","0.001","10.5408","0.0002","15.8947","0.0005","90","","103.153","0.003","90","","4994.4","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 F Fe N3 O4 -","- C30 H30 F Fe N3 O4 -","- C240 H240 F8 Fe8 N24 O32 -","8","1","","Szczupak, Łukasz; Kowalczyk, Aleksandra; Trzybiński, Damian; Woźniak, Krzysztof; Mendoza, Gracia; Arruebo, Manuel; Steverding, Dietmar; Stączek, Paweł; Kowalski, Konrad","Organometallic ciprofloxacin conjugates with dual action: synthesis, characterization, and antimicrobial and cytotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1403","1415","10.1039/c9dt03948a","","x-ray","1.54184","CuKα","","0.1076","0.0992","","","0.2509","0.2579","","","","","","1.046","","","","has coordinates,has disorder","248933","2020-10-21","18:00:00",""
"7703118","11.2786","0.0005","7.2123","0.0003","34.7213","0.0009","90","","93.113","0.003","90","","2820.22","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 F Mn N3 O7 -","- C28 H25 F Mn N3 O7 -","- C112 H100 F4 Mn4 N12 O28 -","4","1","","Szczupak, Łukasz; Kowalczyk, Aleksandra; Trzybiński, Damian; Woźniak, Krzysztof; Mendoza, Gracia; Arruebo, Manuel; Steverding, Dietmar; Stączek, Paweł; Kowalski, Konrad","Organometallic ciprofloxacin conjugates with dual action: synthesis, characterization, and antimicrobial and cytotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1403","1415","10.1039/c9dt03948a","","x-ray","1.54184","CuKα","","0.088","0.0755","","","0.2055","0.2139","","","","","","1.069","","","","has coordinates,has disorder","248933","2020-10-21","18:00:00",""
"7703119","11.1016","0.0002","13.3903","0.0003","24.3259","0.0005","78.765","0.002","80.424","0.002","89.325","0.002","3496.62","0.13","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H45 Br Cl2 O3.5 Ti -","- C33 H41 Br Cl2 O3 Ti -","- C132 H164 Br4 Cl8 O12 Ti4 -","4","2","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","Synthesis and structures of titanium complexes bearing tetradentate tripodal [O<sub>2</sub>XC] ligands (X = C, P).","Dalton transactions (Cambridge, England : 2003)","2020","49","1","27","30","10.1039/c9dt03969d","","x-ray","0.71073","MoKα","","0.0865","0.05","","","0.0921","0.1043","","","","","","1.013","","","","has coordinates,has disorder","246384","2020-10-21","18:00:00",""
"7703120","9.8645","0.0002","17.6446","0.0005","21.7498","0.0005","90","","89.382","0.002","90","","3785.44","0.16","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H60 O4 Ti -","- C43 H60 O4 Ti -","- C172 H240 O16 Ti4 -","4","1","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","Synthesis and structures of titanium complexes bearing tetradentate tripodal [O<sub>2</sub>XC] ligands (X = C, P).","Dalton transactions (Cambridge, England : 2003)","2020","49","1","27","30","10.1039/c9dt03969d","","x-ray","0.71073","MoKα","","0.061","0.0433","","","0.0994","0.108","","","","","","1.025","","","","has coordinates","246384","2020-10-21","18:00:00",""
"7703121","11.9944","0.0002","13.2152","0.0002","17.0702","0.0003","79.141","0.001","80.483","0.001","84.749","0.001","2615.65","0.08","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H67 Cl N O2 P Ti -","- C59 H67 Cl N O2 P Ti -","- C118 H134 Cl2 N2 O4 P2 Ti2 -","2","1","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","Synthesis and structures of titanium complexes bearing tetradentate tripodal [O<sub>2</sub>XC] ligands (X = C, P).","Dalton transactions (Cambridge, England : 2003)","2020","49","1","27","30","10.1039/c9dt03969d","","x-ray","0.71073","MoKα","","0.0578","0.0407","","","0.0997","0.1083","","","","","","1.036","","","","has coordinates,has disorder","246384","2020-10-21","18:00:00",""
"7703122","10.208","0.002","10.769","0.002","14.485","0.003","111.348","0.005","90.21","0.005","97.478","0.005","1468.2","0.5","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 B F2 N4 O -","- C36 H25 B F2 N4 O -","- C72 H50 B2 F4 N8 O2 -","2","1","","Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Kumar, Yogesh; Pandey, Daya Shankar","Photophysical properties of some novel tetraphenylimidazole derived BODIPY based fluorescent molecular rotors.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","438","452","10.1039/c9dt04177j","","","0.71073","MoKα","","0.3119","0.1069","","","0.1635","0.2264","","","","","","1.008","","","","has coordinates","246457","2020-10-21","18:00:00",""
"7703123","9.1437","0.0002","14.2235","0.0003","24.9508","0.0005","90","","97.853","0.002","90","","3214.55","0.12","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26 B Cl F2 N4 O -","- C37 H26 B Cl F2 N4 O -","- C148 H104 B4 Cl4 F8 N16 O4 -","4","1","","Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Kumar, Yogesh; Pandey, Daya Shankar","Photophysical properties of some novel tetraphenylimidazole derived BODIPY based fluorescent molecular rotors.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","438","452","10.1039/c9dt04177j","","","0.71073","MoKα","","0.108","0.0576","","","0.1463","0.1815","","","","","","1.026","","","","has coordinates","246457","2020-10-21","18:00:00",""
"7703124","9.6016","0.0003","25.7083","0.0006","12.6994","0.0003","90","","105.329","0.003","90","","3023.21","0.14","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 B Cl F2 N4 O -","- C36 H24 B Cl F2 N4 O -","- C144 H96 B4 Cl4 F8 N16 O4 -","4","1","","Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Kumar, Yogesh; Pandey, Daya Shankar","Photophysical properties of some novel tetraphenylimidazole derived BODIPY based fluorescent molecular rotors.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","438","452","10.1039/c9dt04177j","","","0.71073","MoKα","","0.0743","0.0602","","","0.1602","0.178","","","","","","1.017","","","","has coordinates","246457","2020-10-21","18:00:00",""
"7703125","9.5668","0.0007","13.2433","0.0009","13.9708","0.0009","104.534","0.002","103.397","0.002","104.401","0.002","1575.8","0.19","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H23 B Cl2 F2 N4 O -","- C36 H23 B Cl2 F2 N4 O -","- C72 H46 B2 Cl4 F4 N8 O2 -","2","1","","Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Kumar, Yogesh; Pandey, Daya Shankar","Photophysical properties of some novel tetraphenylimidazole derived BODIPY based fluorescent molecular rotors.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","438","452","10.1039/c9dt04177j","","","0.71073","MoKα","","0.0801","0.0485","","","0.1084","0.126","","","","","","1.007","","","","has coordinates","246457","2020-10-21","18:00:00",""
"7703126","8.7005","0.0006","12.9672","0.0011","11.9397","0.0011","90","","104.61","0.003","90","","1303.49","0.19","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2,2',2'',2'''-(1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetrayl)tetraacetamide)-cobalt(ii) dithiocyanate.","","- C20 H36 Co N10 O4 S2 -","- C20 H36 Co N10 O4 S2 -","- C40 H72 Co2 N20 O8 S4 -","2","0.5","","Bond, Christopher J.; Cineus, Roy; Nazarenko, Alexander Y.; Spernyak, Joseph A.; Morrow, Janet R.","Isomeric Co(ii) paraCEST agents as pH responsive MRI probes.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","279","284","10.1039/c9dt04558a","","","0.71073","MoKα","","0.036","0.0293","","","0.0728","0.0765","","","","","","1.038","","","","has coordinates","246458","2020-10-21","18:00:00",""
"7703127","10.0766","0.0005","10.7225","0.0006","17.5231","0.0009","75.03","0.002","74.215","0.002","82.412","0.002","1756.18","0.16","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","(2,2',2'',2'''-(1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetrayl)tetraacetamide)-cobalt(ii) tetrathiocyanatocobaltate trihydrate.","","- C22 H42 Co2 N12 O7 S4 -","- C22 H42 Co2 N12 O7 S4 -","- C44 H84 Co4 N24 O14 S8 -","2","1","","Bond, Christopher J.; Cineus, Roy; Nazarenko, Alexander Y.; Spernyak, Joseph A.; Morrow, Janet R.","Isomeric Co(ii) paraCEST agents as pH responsive MRI probes.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","279","284","10.1039/c9dt04558a","","","0.71073","MoKα","","0.0608","0.0333","","","0.0681","0.0775","","","","","","1.018","","","","has coordinates,has disorder","246458","2020-10-21","18:00:00",""
"7703128","8.8541","0.0006","9.9859","0.0008","17.8607","0.0014","92.863","0.002","103.261","0.002","111.451","0.002","1414.9","0.19","173","2","173","","","","","","","","","6","P -1","-P 1","2","","(2,2',2'',2'''-(1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetrayl)tetraacetamide)-cobalt(ii) diperchlorate monohydrate","","- C18 H38 Cl2 Co N8 O13 -","- C18 H38 Cl2 Co N8 O13 -","- C36 H76 Cl4 Co2 N16 O26 -","2","1","","Bond, Christopher J.; Cineus, Roy; Nazarenko, Alexander Y.; Spernyak, Joseph A.; Morrow, Janet R.","Isomeric Co(ii) paraCEST agents as pH responsive MRI probes.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","279","284","10.1039/c9dt04558a","","","0.71073","MoKα","","0.0369","0.0308","","","0.0781","0.0816","","","","","","1.048","","","","has coordinates,has disorder","246458","2020-10-21","18:00:00",""
"7703129","13.155","0.0002","21.1155","0.0003","14.4734","0.0003","90","","98.271","0.0018","90","","3978.52","0.12","120","10","120","10","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H30 Cl3 Cu3 N6 -","- C45 H30 Cl3 Cu3 N6 -","- C180 H120 Cl12 Cu12 N24 -","4","1","","Chen, Jing-Huo; Wei, Donghui; Yang, Guang; Ma, Jian-Gong; Cheng, Peng","A systematic investigation of structural transformation in a copper pyrazolato system: a case study.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1116","1123","10.1039/c9dt04263f","","x-ray","0.71073","MoKα","","0.0397","0.0305","","","0.0606","0.0647","","","","","","1.023","","","","has coordinates","247718","2020-10-21","18:00:00",""
"7703130","29.0987","0.0005","16.5408","0.0004","19.3641","0.0004","90","","100.124","0.0018","90","","9175.1","0.3","120","14","120","14","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C95 H76 Cl6 Cu6 N12 O6 -","- C95 H76 Cl6 Cu6 N12 O6 -","- C380 H304 Cl24 Cu24 N48 O24 -","4","0.5","","Chen, Jing-Huo; Wei, Donghui; Yang, Guang; Ma, Jian-Gong; Cheng, Peng","A systematic investigation of structural transformation in a copper pyrazolato system: a case study.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1116","1123","10.1039/c9dt04263f","","","0.71073","MoKα","","0.0615","0.0566","","","0.144","0.1481","","","","","","1.038","","","","has coordinates,has disorder","247718","2020-10-21","18:00:00",""
"7703131","10.0449","0.0002","15.1382","0.0005","23.2997","0.0008","77.698","0.003","83.79","0.002","80.707","0.003","3406.19","0.18","120","10","120","10","","","","","","","","5","P -1","-P 1","2","","","","- C63.75 H47.5 Cl11.5 Cu4 N8 -","- C63.75 H47.5 Cl11.5 Cu4 N8 -","- C127.5 H95 Cl23 Cu8 N16 -","2","1","","Chen, Jing-Huo; Wei, Donghui; Yang, Guang; Ma, Jian-Gong; Cheng, Peng","A systematic investigation of structural transformation in a copper pyrazolato system: a case study.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1116","1123","10.1039/c9dt04263f","","","0.71073","MoKα","","0.08","0.0701","","","0.1731","0.1801","","","","","","1.083","","","","has coordinates,has disorder","247718","2020-10-21","18:00:00",""
"7703132","29.0602","0.0006","16.4786","0.0006","19.3166","0.0004","90","","100.198","0.002","90","","9104","0.4","120","14","120","14","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C189 H150 Cl12 Cu12 N24 O12 -","- C189 H150 Cl12 Cu12 N24 O12 -","- C378 H300 Cl24 Cu24 N48 O24 -","2","0.25","","Chen, Jing-Huo; Wei, Donghui; Yang, Guang; Ma, Jian-Gong; Cheng, Peng","A systematic investigation of structural transformation in a copper pyrazolato system: a case study.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1116","1123","10.1039/c9dt04263f","","","0.71073","MoKα","","0.0627","0.0543","","","0.1253","0.1313","","","","","","1.037","","","","has coordinates,has disorder","247718","2020-10-21","18:00:00",""
"7703133","29.0473","0.0009","16.4211","0.0007","19.2985","0.0007","90","","100.186","0.003","90","","9060.1","0.6","120","10","120","10","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C187 H146 Cl12 Cu12 N24 O12 -","- C187 H146 Cl12 Cu12 N24 O12 -","- C374 H292 Cl24 Cu24 N48 O24 -","2","0.25","","Chen, Jing-Huo; Wei, Donghui; Yang, Guang; Ma, Jian-Gong; Cheng, Peng","A systematic investigation of structural transformation in a copper pyrazolato system: a case study.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1116","1123","10.1039/c9dt04263f","","x-ray","0.71073","MoKα","","0.0737","0.0545","","","0.1232","0.1358","","","","","","1.063","","","","has coordinates,has disorder","247718","2020-10-21","18:00:00",""
"7703134","16.2557","0.0011","17.0114","0.0012","17.9429","0.0011","72.065","0.006","68.528","0.006","86.629","0.006","4384.9","0.6","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C77 H56 Cl5 Cu5 N10 O2 -","- C77 H56 Cl5 Cu5 N10 O2 -","- C154 H112 Cl10 Cu10 N20 O4 -","2","1","","Chen, Jing-Huo; Wei, Donghui; Yang, Guang; Ma, Jian-Gong; Cheng, Peng","A systematic investigation of structural transformation in a copper pyrazolato system: a case study.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1116","1123","10.1039/c9dt04263f","","x-ray","0.71073","MoKα","","0.142","0.0914","","","0.2115","0.243","","","","","","1.02","","","","has coordinates","247718","2020-10-21","18:00:00",""
"7703135","29.1746","0.0006","16.6071","0.0004","19.2602","0.0004","90","","100.127","0.0019","90","","9186.3","0.4","120","10","120","10","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H78 Cl6 Cu6 N12 O6 -","- C96 H78 Cl6 Cu6 N12 O6 -","- C384 H312 Cl24 Cu24 N48 O24 -","4","1","","Chen, Jing-Huo; Wei, Donghui; Yang, Guang; Ma, Jian-Gong; Cheng, Peng","A systematic investigation of structural transformation in a copper pyrazolato system: a case study.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1116","1123","10.1039/c9dt04263f","","","0.71073","MoKα","","0.0567","0.0407","","","0.0889","0.0981","","","","","","1.023","","","","has coordinates","247718","2020-10-21","18:00:00",""
"7703136","29.0564","0.0007","16.4701","0.0004","19.3195","0.0004","90","","100.272","0.002","90","","9097.4","0.4","120","3","120","3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H74 Cl6 Cu6 N12 O6 -","- C94 H74 Cl6 Cu6 N12 O6 -","- C376 H296 Cl24 Cu24 N48 O24 -","4","0.5","","Chen, Jing-Huo; Wei, Donghui; Yang, Guang; Ma, Jian-Gong; Cheng, Peng","A systematic investigation of structural transformation in a copper pyrazolato system: a case study.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1116","1123","10.1039/c9dt04263f","","x-ray","0.71073","MoKα","","0.0574","0.0451","","","0.1012","0.11","","","","","","1.04","","","","has coordinates,has disorder","247718","2020-10-21","18:00:00",""
"7703137","29.0392","0.0008","16.339","0.0008","19.298","0.0006","90","","100.387","0.003","90","","9006.3","0.6","120","4","120","4","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H70 Cl6 Cu6 N12 O6 -","- C92 H70 Cl6 Cu6 N12 O6 -","- C368 H280 Cl24 Cu24 N48 O24 -","4","0.5","","Chen, Jing-Huo; Wei, Donghui; Yang, Guang; Ma, Jian-Gong; Cheng, Peng","A systematic investigation of structural transformation in a copper pyrazolato system: a case study.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1116","1123","10.1039/c9dt04263f","","x-ray","0.71073","MoKα","","0.094","0.0763","","","0.1642","0.1755","","","","","","1.14","","","","has coordinates,has disorder","247718","2020-10-21","18:00:00",""
"7703138","29.0762","0.0006","16.6019","0.0004","19.2306","0.0005","90","","100.045","0.002","90","","9140.7","0.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H78 Cl6 Cu6 N12 O6 -","- C96 H78 Cl6 Cu6 N12 O6 -","- C384 H312 Cl24 Cu24 N48 O24 -","4","0.5","","Chen, Jing-Huo; Wei, Donghui; Yang, Guang; Ma, Jian-Gong; Cheng, Peng","A systematic investigation of structural transformation in a copper pyrazolato system: a case study.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1116","1123","10.1039/c9dt04263f","","","0.71073","MoKα","","0.0482","0.0421","","","0.1038","0.1084","","","","","","1.03","","","","has coordinates,has disorder","247718","2020-10-21","18:00:00",""
"7703139","7.6373","0.0004","8.8684","0.0006","12.822","0.0009","72.104","0.006","84.07","0.006","67.482","0.006","763.31","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H20 I3 N Pt -","- C8 H20 I3 N Pt -","- C16 H40 I6 N2 Pt2 -","2","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Rozhkov, Anton V.; Kornyakov, Ilya V.; Dubovtsev, Alexey Yu; Kukushkin, Vadim Yu","Hexaiododiplatinate(ii) as a useful supramolecular synthon for halogen bond involving crystal engineering.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","356","367","10.1039/c9dt04221k","","x-ray","0.71073","MoKα","","0.0528","0.0393","","","0.0735","0.0827","","","","","","0.992","","","","has coordinates","246460","2020-10-21","18:00:00",""
"7703140","28.7495","0.0004","21.2482","0.0003","15.7822","0.0002","90","","90","","90","","9641","0.2","100","3","100","3","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H36 I3 P Pt -","- C16 H36 I3 P Pt -","- C256 H576 I48 P16 Pt16 -","16","2","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Rozhkov, Anton V.; Kornyakov, Ilya V.; Dubovtsev, Alexey Yu; Kukushkin, Vadim Yu","Hexaiododiplatinate(ii) as a useful supramolecular synthon for halogen bond involving crystal engineering.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","356","367","10.1039/c9dt04221k","","x-ray","0.71073","MoKα","","0.0328","0.0233","","","0.0447","0.0472","","","","","","1.073","","","","has coordinates","246460","2020-10-21","18:00:00",""
"7703141","9.0752","0.0003","14.0688","0.0003","20.5122","0.0004","103.355","0.002","95.542","0.002","97.711","0.002","2502.88","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H40 F6 I12 N2 Pt2 -","- C28 H40 F6 I12 N2 Pt2 -","- C56 H80 F12 I24 N4 Pt4 -","2","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Rozhkov, Anton V.; Kornyakov, Ilya V.; Dubovtsev, Alexey Yu; Kukushkin, Vadim Yu","Hexaiododiplatinate(ii) as a useful supramolecular synthon for halogen bond involving crystal engineering.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","356","367","10.1039/c9dt04221k","","x-ray","0.71073","MoKα","","0.0335","0.0294","","","0.0591","0.0614","","","","","","1.059","","","","has coordinates","246460","2020-10-21","18:00:00",""
"7703142","9.6718","0.0003","10.0466","0.0003","14.9176","0.0003","78.523","0.002","82.57","0.002","65.606","0.003","1291.92","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 I3 P Pt -","- C25 H22 I3 P Pt -","- C50 H44 I6 P2 Pt2 -","2","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Rozhkov, Anton V.; Kornyakov, Ilya V.; Dubovtsev, Alexey Yu; Kukushkin, Vadim Yu","Hexaiododiplatinate(ii) as a useful supramolecular synthon for halogen bond involving crystal engineering.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","356","367","10.1039/c9dt04221k","","x-ray","1.54184","CuKα","","0.0295","0.0262","","","0.0669","0.0689","","","","","","1.011","","","","has coordinates","246460","2020-10-21","18:00:00",""
"7703143","10.6311","0.0003","11.7665","0.0003","22.271","0.0005","84.641","0.002","87.252","0.002","89.297","0.002","2770.45","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H72 I10 P2 Pt2 -","- C34 H72 I10 P2 Pt2 -","- C68 H144 I20 P4 Pt4 -","2","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Rozhkov, Anton V.; Kornyakov, Ilya V.; Dubovtsev, Alexey Yu; Kukushkin, Vadim Yu","Hexaiododiplatinate(ii) as a useful supramolecular synthon for halogen bond involving crystal engineering.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","356","367","10.1039/c9dt04221k","","x-ray","0.71073","MoKα","","0.0296","0.0235","","","0.046","0.0479","","","","","","1.071","","","","has coordinates","246460","2020-10-21","18:00:00",""
"7703144","9.4019","0.0003","9.4572","0.0005","18.495","0.0007","81.698","0.004","85.055","0.003","77.612","0.003","1586.78","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H36 F4 I5 N Pt -","- C22 H36 F4 I5 N Pt -","- C44 H72 F8 I10 N2 Pt2 -","2","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Rozhkov, Anton V.; Kornyakov, Ilya V.; Dubovtsev, Alexey Yu; Kukushkin, Vadim Yu","Hexaiododiplatinate(ii) as a useful supramolecular synthon for halogen bond involving crystal engineering.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","356","367","10.1039/c9dt04221k","","","0.71073","MoKα","","0.031","0.0254","","","0.047","0.0492","","","","","","1.036","","","","has coordinates","246460","2020-10-21","18:00:00",""
"7703145","7.4631","0.0003","8.8084","0.0003","19.7624","0.0007","84.162","0.003","80.035","0.003","67.019","0.003","1177.15","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 F5 I4 N Pt -","- C14 H20 F5 I4 N Pt -","- C28 H40 F10 I8 N2 Pt2 -","2","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Rozhkov, Anton V.; Kornyakov, Ilya V.; Dubovtsev, Alexey Yu; Kukushkin, Vadim Yu","Hexaiododiplatinate(ii) as a useful supramolecular synthon for halogen bond involving crystal engineering.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","356","367","10.1039/c9dt04221k","","","0.71073","MoKα","","0.0291","0.0276","","","0.0703","0.0713","","","","","","1.091","","","","has coordinates","246460","2020-10-21","18:00:00",""
"7703146","12.8781","0.0002","14.4085","0.0002","13.9717","0.0003","90","","106.717","0.002","90","","2482.94","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 I3 P Pt -","- C24 H20 I3 P Pt -","- C96 H80 I12 P4 Pt4 -","4","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Rozhkov, Anton V.; Kornyakov, Ilya V.; Dubovtsev, Alexey Yu; Kukushkin, Vadim Yu","Hexaiododiplatinate(ii) as a useful supramolecular synthon for halogen bond involving crystal engineering.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","356","367","10.1039/c9dt04221k","","","0.71073","MoKα","","0.0256","0.0207","","","0.0405","0.0417","","","","","","1.072","","","","has coordinates","246460","2020-10-21","18:00:00",""
"7703147","10.812","0.002","21.943","0.004","30.221","0.006","90","","90","","90","","7170","2","100","2","100","2","","","","","","","","6","I m m m","-I 2 2","71","","","","- C30 H30 Cl8 N20 O20.5 Th2 -","- C30 H30 Cl8 N20 O20.5 Th2 -","- C120 H120 Cl32 N80 O82 Th8 -","4","0.25","","Zhang, Yingjie; Lu, Kimbal; Liu, Ming; Karatchevtseva, Inna; Tao, Zhu; Wei, Gang","Thorium(iv) and uranium(vi) compounds of cucurbit[10]uril: from a one-dimensional nanotube to a supramolecular framework.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","404","410","10.1039/c9dt04299g","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.063","0.0578","","","0.1766","0.1821","","","","","","1.049","","","","has coordinates","246461","2020-10-21","18:00:00",""
"7703148","17.212","0.003","19.456","0.004","21.391","0.004","66.03","0.03","86.24","0.03","72.18","0.03","6217","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 Cl2.5 N20 O16 U -","- C30 H35 Cl2.5 N20 O16 U -","- C120 H140 Cl10 N80 O64 U4 -","4","2","","Zhang, Yingjie; Lu, Kimbal; Liu, Ming; Karatchevtseva, Inna; Tao, Zhu; Wei, Gang","Thorium(iv) and uranium(vi) compounds of cucurbit[10]uril: from a one-dimensional nanotube to a supramolecular framework.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","404","410","10.1039/c9dt04299g","","","0.71078","silicondoublecrystalmonochromatedsynchrotron","","0.1206","0.1056","","","0.3066","0.3225","","","","","","1.052","","","","has coordinates","246461","2020-10-21","18:00:00",""
"7703149","17.2009","0.0018","14.259","0.0014","26.185","0.003","90","","127.852","0.002","90","","5071.1","0.9","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Cu5 Fe2 Gd N22 Na O18 -","- C20 H32 Cu5 Fe2 Gd N22 Na O18 -","- C80 H128 Cu20 Fe8 Gd4 N88 Na4 O72 -","4","1","","Yang, Hua; Meng, Yan-Xia; Tian, Hai-Quan; Li, Da-Cheng; Zeng, Su-Yuan; Song, You; Dou, Jian-Min","Investigating the effect of lanthanide radius and diamagnetic linkers on the framework of metallacrown complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1955","1962","10.1039/c9dt04383g","","","0.71073","MoKα","","0.1346","0.0771","","","0.1333","0.1458","","","","","","0.949","","","","has coordinates","248957","2020-10-21","18:00:00",""
"7703150","17.3041","0.0015","14.277","0.0012","26.341","0.002","90","","127.923","0.003","90","","5133.4","0.8","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 Cu5 Fe2 Ho N22 Na O21 -","- C20 H38 Cu5 Fe2 Ho N22 Na O21 -","- C80 H152 Cu20 Fe8 Ho4 N88 Na4 O84 -","4","1","","Yang, Hua; Meng, Yan-Xia; Tian, Hai-Quan; Li, Da-Cheng; Zeng, Su-Yuan; Song, You; Dou, Jian-Min","Investigating the effect of lanthanide radius and diamagnetic linkers on the framework of metallacrown complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1955","1962","10.1039/c9dt04383g","","","0.71073","MoKα","","0.0951","0.048","","","0.0787","0.0862","","","","","","1.001","","","","has coordinates","248957","2020-10-21","18:00:00",""
"7703151","10.4494","0.0004","13.3443","0.0007","16.2694","0.0007","72.74","0.004","86.532","0.003","74.166","0.004","2083.72","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H72 Cu10 Fe2 N34 Nd2 O52 -","- C30 H72 Cu10 Fe2 N34 Nd2 O52 -","- C30 H72 Cu10 Fe2 N34 Nd2 O52 -","1","0.5","","Yang, Hua; Meng, Yan-Xia; Tian, Hai-Quan; Li, Da-Cheng; Zeng, Su-Yuan; Song, You; Dou, Jian-Min","Investigating the effect of lanthanide radius and diamagnetic linkers on the framework of metallacrown complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1955","1962","10.1039/c9dt04383g","","","0.71073","MoKα","","0.0884","0.0558","","","0.1182","0.1402","","","","","","1.041","","","","has coordinates","248957","2020-10-21","18:00:00",""
"7703152","16.9804","0.0007","14.2037","0.0005","20.7567","0.001","90","","93.464","0.004","90","","4997","0.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 Cu5 Fe2 N22 Na O22 Sm -","- C20 H40 Cu5 Fe2 N22 Na O22 Sm -","- C80 H160 Cu20 Fe8 N88 Na4 O88 Sm4 -","4","1","","Yang, Hua; Meng, Yan-Xia; Tian, Hai-Quan; Li, Da-Cheng; Zeng, Su-Yuan; Song, You; Dou, Jian-Min","Investigating the effect of lanthanide radius and diamagnetic linkers on the framework of metallacrown complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1955","1962","10.1039/c9dt04383g","","","1.54184","CuKα","","0.0927","0.0634","","","0.1497","0.1713","","","","","","1.031","","","","has coordinates","248957","2020-10-21","18:00:00",""
"7703153","10.5279","0.0008","13.3813","0.0011","16.3388","0.0013","73.408","0.001","86.798","0.002","73.741","0.001","2117","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H72 Cu10 Fe2 N34 O52 Pr2 -","- C30 H72 Cu10 Fe2 N34 O52 Pr2 -","- C30 H72 Cu10 Fe2 N34 O52 Pr2 -","1","0.5","","Yang, Hua; Meng, Yan-Xia; Tian, Hai-Quan; Li, Da-Cheng; Zeng, Su-Yuan; Song, You; Dou, Jian-Min","Investigating the effect of lanthanide radius and diamagnetic linkers on the framework of metallacrown complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1955","1962","10.1039/c9dt04383g","","","0.71073","MoKα","","0.0775","0.0471","","","0.1149","0.1332","","","","","","1.047","","","","has coordinates","248957","2020-10-21","18:00:00",""
"7703154","10.4309","0.0011","13.2702","0.0015","16.2883","0.0013","72.7","0.008","86.548","0.007","74.311","0.009","2071.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H72 Cu10 Fe2 La2 N34 O52 -","- C30 H72 Cu10 Fe2 La2 N34 O52 -","- C30 H72 Cu10 Fe2 La2 N34 O52 -","1","0.5","","Yang, Hua; Meng, Yan-Xia; Tian, Hai-Quan; Li, Da-Cheng; Zeng, Su-Yuan; Song, You; Dou, Jian-Min","Investigating the effect of lanthanide radius and diamagnetic linkers on the framework of metallacrown complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1955","1962","10.1039/c9dt04383g","","","0.71073","MoKα","","0.0739","0.0519","","","0.1328","0.1533","","","","","","1.104","","","","has coordinates","248957","2020-10-21","18:00:00",""
"7703155","17.0246","0.0007","14.1494","0.0007","20.7518","0.0008","90","","93.332","0.003","90","","4990.4","0.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 Cu5 Fe2 N22 Na O22 Tb -","- C20 H40 Cu5 Fe2 N22 Na O22 Tb -","- C80 H160 Cu20 Fe8 N88 Na4 O88 Tb4 -","4","1","","Yang, Hua; Meng, Yan-Xia; Tian, Hai-Quan; Li, Da-Cheng; Zeng, Su-Yuan; Song, You; Dou, Jian-Min","Investigating the effect of lanthanide radius and diamagnetic linkers on the framework of metallacrown complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1955","1962","10.1039/c9dt04383g","","","1.54184","CuKα","","0.1017","0.0747","","","0.1874","0.2118","","","","","","1.024","","","","has coordinates","248957","2020-10-21","18:00:00",""
"7703157","7.3254","0.0007","12.5221","0.0013","19.344","0.0019","90","","100.786","0.004","90","","1743.1","0.3","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H16.44 N19 O6.72 -","- C5 H16.444 N19 O6.722 -","- C20 H65.776 N76 O26.888 -","4","1","","Bian, Chengming; Feng, Wenjing; Lei, Qunying; Huang, Haifeng; Li, Xia; Wang, Jianlong; Li, Chuan; Xiao, Zhongliang","A facile synthesis of energetic salts based on fully nitroamino-functionalized [1,2,4]triazolo[4,3-b][1,2,4]triazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","368","374","10.1039/c9dt03829a","","","0.71073","MoKα","","0.0799","0.0516","","","0.1199","0.1378","","","","","","1.016","","","","has coordinates,has disorder","246463","2020-10-21","18:00:00",""
"7703158","6.7723","0.0003","13.1291","0.0005","18.8628","0.0008","85.471","0.003","80.793","0.004","82.3","0.003","1637.8","0.12","189.7","1","189.7","1","","","","","","","","4","P -1","-P 1","2","","","","- C5 H15 N17 O7 -","- C5 H15 N17 O7 -","- C20 H60 N68 O28 -","4","2","","Bian, Chengming; Feng, Wenjing; Lei, Qunying; Huang, Haifeng; Li, Xia; Wang, Jianlong; Li, Chuan; Xiao, Zhongliang","A facile synthesis of energetic salts based on fully nitroamino-functionalized [1,2,4]triazolo[4,3-b][1,2,4]triazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","368","374","10.1039/c9dt03829a","","x-ray","1.54184","CuKα","","0.0416","0.0363","","","0.0949","0.0989","","","","","","1.036","","","","has coordinates,has disorder","246463","2020-10-21","18:00:00",""
"7703159","7.6291","0.0002","13.4799","0.0003","17.4739","0.0004","90","","98.389","0.002","90","","1777.78","0.07","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H17 N21 O6 -","- C5 H17 N21 O6 -","- C20 H68 N84 O24 -","4","1","","Bian, Chengming; Feng, Wenjing; Lei, Qunying; Huang, Haifeng; Li, Xia; Wang, Jianlong; Li, Chuan; Xiao, Zhongliang","A facile synthesis of energetic salts based on fully nitroamino-functionalized [1,2,4]triazolo[4,3-b][1,2,4]triazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","368","374","10.1039/c9dt03829a","","x-ray","1.54184","CuKα","","0.0504","0.042","","","0.1069","0.1136","","","","","","1.067","","","","has coordinates,has disorder","246463","2020-10-21","18:00:00",""
"7703160","10.056","0.002","21.013","0.005","30.488","0.007","90","","97.053","0.007","90","","6394","2","205","2","205","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H8 N2 O4 Zn -","- C24 H8 N2 O4 Zn -","- C192 H64 N16 O32 Zn8 -","8","1","","Ye, Yu; Du, Jianfeng; Sun, Libo; Liu, Yuchuan; Wang, Shun; Song, Xiaowei; Liang, Zhiqiang","Two zinc metal-organic framework isomers based on pyrazine tetracarboxylic acid and dipyridinylbenzene for adsorption and separation of CO<sub>2</sub> and light hydrocarbons.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1135","1142","10.1039/c9dt04305e","","","0.71073","MoKα","","0.1224","0.0895","","","0.2488","0.2647","","","","","","1.014","","","","has coordinates","247714","2020-10-21","18:00:00",""
"7703161","11.6989","0.0003","15.373","0.0004","18.3406","0.0006","90","","90","","90","","3298.51","0.16","300","2","300","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C13.5 H N O2 Zn0.5 -","- C13.5 H N O2 Zn0.5 -","- C108 H8 N8 O16 Zn4 -","8","1","","Ye, Yu; Du, Jianfeng; Sun, Libo; Liu, Yuchuan; Wang, Shun; Song, Xiaowei; Liang, Zhiqiang","Two zinc metal-organic framework isomers based on pyrazine tetracarboxylic acid and dipyridinylbenzene for adsorption and separation of CO<sub>2</sub> and light hydrocarbons.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1135","1142","10.1039/c9dt04305e","","","0.71073","MoKα","","0.0553","0.0491","","","0.1609","0.1687","","","","","","1.128","","","","has coordinates","247714","2020-10-21","18:00:00",""
"7703162","8.9297","0.0003","13.0206","0.0004","16.7334","0.0005","102.136","0.002","99.903","0.002","103.182","0.002","1801.89","0.1","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H29 N3 O4 P2 W -","- C42 H29 N3 O4 P2 W -","- C84 H58 N6 O8 P4 W2 -","2","1","","Radhakrishna, Latchupatula; Kunchur, Harish S.; Namdeo, Pavan K.; Butcher, Ray J.; Balakrishna, Maravanji S.","New 1,2,3-triazole based bis- and trisphosphine ligands: synthesis, transition metal chemistry and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3434","3449","10.1039/c9dt04302k","","x-ray","0.71073","MoKα","","0.0275","0.0234","","","0.0526","0.0537","","","","","","1.032","","","","has coordinates,has disorder","250303","2020-10-21","18:00:00",""
"7703163","11.9846","0.0004","17.046","0.0006","17.7261","0.0005","111.601","0.003","93.453","0.003","110.334","0.003","3082.7","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H29 N3 P2 -","- C38 H29 N3 P2 -","- C152 H116 N12 P8 -","4","2","","Radhakrishna, Latchupatula; Kunchur, Harish S.; Namdeo, Pavan K.; Butcher, Ray J.; Balakrishna, Maravanji S.","New 1,2,3-triazole based bis- and trisphosphine ligands: synthesis, transition metal chemistry and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3434","3449","10.1039/c9dt04302k","","x-ray","0.71073","MoKα","","0.1433","0.0773","","","0.1793","0.232","","","","","","1.04","","","","has coordinates","250303","2020-10-21","18:00:00",""
"7703164","11.5113","0.0003","13.1944","0.0005","25.2877","0.0008","90","","103.149","0.003","90","","3740.1","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H29 Cl4 N3 P2 Pt -","- C39 H29 Cl4 N3 P2 Pt -","- C156 H116 Cl16 N12 P8 Pt4 -","4","1","","Radhakrishna, Latchupatula; Kunchur, Harish S.; Namdeo, Pavan K.; Butcher, Ray J.; Balakrishna, Maravanji S.","New 1,2,3-triazole based bis- and trisphosphine ligands: synthesis, transition metal chemistry and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3434","3449","10.1039/c9dt04302k","","x-ray","0.71073","MoKα","","0.0875","0.0566","","","0.1051","0.1271","","","","","","1.066","","","","has coordinates,has disorder","250303","2020-10-21","18:00:00",""
"7703165","11.513","0.0002","13.1004","0.0002","25.296","0.0004","90","","103.16","0.001","90","","3715.07","0.11","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H31 Cl4 N3 P2 Pd -","- C38.9997 H30.9994 Cl3.9994 N3 P2 Pd -","- C155.999 H123.998 Cl15.9976 N12 P8 Pd4 -","4","1","","Radhakrishna, Latchupatula; Kunchur, Harish S.; Namdeo, Pavan K.; Butcher, Ray J.; Balakrishna, Maravanji S.","New 1,2,3-triazole based bis- and trisphosphine ligands: synthesis, transition metal chemistry and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3434","3449","10.1039/c9dt04302k","","x-ray","0.71073","MoKα","","0.0263","0.0242","","","0.0603","0.0615","","","","","","1.047","","","","has coordinates,has disorder","250303","2020-10-21","18:00:00",""
"7703166","19.0043","0.0006","10.0057","0.0003","19.8886","0.0006","90","","107.908","0.003","90","","3598.6","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H29 Cl4 N3 P2 Pd -","- C39 H29 Cl4 N3 P2 Pd -","- C156 H116 Cl16 N12 P8 Pd4 -","4","1","","Radhakrishna, Latchupatula; Kunchur, Harish S.; Namdeo, Pavan K.; Butcher, Ray J.; Balakrishna, Maravanji S.","New 1,2,3-triazole based bis- and trisphosphine ligands: synthesis, transition metal chemistry and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3434","3449","10.1039/c9dt04302k","","x-ray","0.71073","MoKα","","0.0723","0.0664","","","0.1573","0.1607","","","","","","1.136","","","","has coordinates","250303","2020-10-21","18:00:00",""
"7703167","8.8012","0.0003","16.0063","0.0007","16.2933","0.0007","110.228","0.004","102.707","0.004","105.324","0.004","1950.38","0.18","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Mo N4 O4 P2 -","- C44 H32 Mo N4 O4 P2 -","- C88 H64 Mo2 N8 O8 P4 -","2","1","","Radhakrishna, Latchupatula; Kunchur, Harish S.; Namdeo, Pavan K.; Butcher, Ray J.; Balakrishna, Maravanji S.","New 1,2,3-triazole based bis- and trisphosphine ligands: synthesis, transition metal chemistry and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3434","3449","10.1039/c9dt04302k","","x-ray","0.71073","MoKα","","0.149","0.0823","","","0.1336","0.1626","","","","","","1.026","","","","has coordinates","250303","2020-10-21","18:00:00",""
"7703168","10.9318","0.0001","12.024","0.0002","17.6156","0.0003","94.881","0.001","106.274","0.001","101.064","0.001","2157.55","0.06","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H33 Cl4 N3 O4 P2 W -","- C44 H33 Cl4 N3 O4 P2 W -","- C88 H66 Cl8 N6 O8 P4 W2 -","2","1","","Radhakrishna, Latchupatula; Kunchur, Harish S.; Namdeo, Pavan K.; Butcher, Ray J.; Balakrishna, Maravanji S.","New 1,2,3-triazole based bis- and trisphosphine ligands: synthesis, transition metal chemistry and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3434","3449","10.1039/c9dt04302k","","x-ray","0.71073","MoKα","","0.0339","0.0294","","","0.0635","0.0657","","","","","","1.034","","","","has coordinates","250303","2020-10-21","18:00:00",""
"7703169","10.05434","0.00014","11.14458","0.00016","22.0783","0.0003","87.1739","0.0012","81.6515","0.0012","71.6855","0.0013","2323.69","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H46 Cl N3 Ni P2 -","- C56 H46 Cl N3 Ni P2 -","- C112 H92 Cl2 N6 Ni2 P4 -","2","1","","Radhakrishna, Latchupatula; Kunchur, Harish S.; Namdeo, Pavan K.; Butcher, Ray J.; Balakrishna, Maravanji S.","New 1,2,3-triazole based bis- and trisphosphine ligands: synthesis, transition metal chemistry and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3434","3449","10.1039/c9dt04302k","","x-ray","0.71073","MoKα","","0.0404","0.0347","","","0.0915","0.095","","","","","","1.038","","","","has coordinates,has disorder","250303","2020-10-21","18:00:00",""
"7703170","11.9547","0.0005","10.9927","0.0004","23.6721","0.001","90","","93.244","0.004","90","","3105.9","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H29 N3 P2 -","- C38 H29 N3 P2 -","- C152 H116 N12 P8 -","4","1","","Radhakrishna, Latchupatula; Kunchur, Harish S.; Namdeo, Pavan K.; Butcher, Ray J.; Balakrishna, Maravanji S.","New 1,2,3-triazole based bis- and trisphosphine ligands: synthesis, transition metal chemistry and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3434","3449","10.1039/c9dt04302k","","x-ray","0.71073","MoKα","","0.1192","0.0652","","","0.1276","0.1615","","","","","","1.045","","","","has coordinates","250303","2020-10-21","18:00:00",""
"7703171","10.27","0.0004","12.3139","0.0005","13.2062","0.0005","85.921","0.003","80.35","0.003","74.358","0.003","1584.91","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H28 N3 O P2 Rh -","- C39 H28 N3 O P2 Rh -","- C78 H56 N6 O2 P4 Rh2 -","2","1","","Radhakrishna, Latchupatula; Kunchur, Harish S.; Namdeo, Pavan K.; Butcher, Ray J.; Balakrishna, Maravanji S.","New 1,2,3-triazole based bis- and trisphosphine ligands: synthesis, transition metal chemistry and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3434","3449","10.1039/c9dt04302k","","x-ray","0.71073","MoKα","","0.0604","0.0435","","","0.0951","0.1048","","","","","","1.054","","","","has coordinates","250303","2020-10-21","18:00:00",""
"7703172","13.9968","0.0008","19.0202","0.0009","17.4142","0.0008","90","","110.22","0.006","90","","4350.3","0.4","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H29 Mo N3 O4 P2 -","- C42 H29 Mo N3 O4 P2 -","- C168 H116 Mo4 N12 O16 P8 -","4","1","","Radhakrishna, Latchupatula; Kunchur, Harish S.; Namdeo, Pavan K.; Butcher, Ray J.; Balakrishna, Maravanji S.","New 1,2,3-triazole based bis- and trisphosphine ligands: synthesis, transition metal chemistry and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3434","3449","10.1039/c9dt04302k","","x-ray","0.71073","MoKα","","0.1534","0.0935","","","0.1717","0.1943","","","","","","1.077","","","","has coordinates","250303","2020-10-21","18:00:00",""
"7703173","36.6408","0.0018","22.3598","0.0009","22.75","0.002","90","","90","","90","","18639","2","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C60 H78 Cl2 Co14 Mo24 N24 O82 -","- C60 H78 Cl2 Co14 Mo24 N24 O82 -","- C240 H312 Cl8 Co56 Mo96 N96 O328 -","4","0.5","","Li, Hai-Ye; Pang, Hua-Yu; Yao, Peng-Fei; Huang, Fu-Ping; Bian, He-Dong; Liang, Fu-Pei","A novel sandwich shaped {CoCoMo} cluster with a Co triangle encapsulated in two capped Co<sup>III</sup>CoMoO<sub>40</sub> fragments.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1375","1379","10.1039/c9dt04459k","","","0.7107","MoKα","","0.0815","0.0549","","","0.1481","0.1601","","","","","","1.033","","","","has coordinates","248940","2020-10-21","18:00:00",""
"7703174","13.298","0.005","8.437","0.0032","8.9932","0.0032","90","","104.246","0.012","90","","978","0.6","298","","298","","","","","","","","","3","P 1 21/c 1 (2*a+c,b,c)","-P 2ybc (1/2*x,y,-1/2*x+z)","14","","iron(II) pyprophosphate","","- Fe2 O7 P2 -","- Fe2 O7 P2 -","- Fe16 O56 P16 -","8","","","Salcedo, Inés R; Bazaga-García, Montse; Cuesta, Ana; Losilla, Enrique R.; Demadis, Konstantinos D.; Olivera-Pastor, Pascual; Colodrero, Rosario M. P.; Cabeza, Aurelio","NH<sub>3</sub>/H<sub>2</sub>O-mediated proton conductivity and photocatalytic behaviour of Fe(ii)-hydroxyphosphonoacetate and M(ii)-substituted derivatives.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","3981","3988","10.1039/c9dt04210e","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.01844","","1.57","","","","","","","has coordinates","250291","2020-10-21","18:00:00",""
"7703175","7.312","0.003","12.672","0.005","11.528","0.004","90","","98.869","0.005","90","","1055.4","0.7","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Cd Ge2 Na2 S6 -","- Cd Ge2 Na2 S6 -","- Cd4 Ge8 Na8 S24 -","4","1","","Li, Guang-Mao; Chu, Yu; Li, Jun; Zhou, Zhong-Xiang","Li<sub>2</sub>CdSiS<sub>4</sub>, a promising IR NLO material with a balanced E<sub>g</sub> and SHG response originating from the effect of Cd with d<sup>10</sup> configuration.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1975","1980","10.1039/c9dt04710g","","","0.71073","MoKα","","0.0266","0.0238","","","0.0449","0.0461","","","","","","0.983","","","","has coordinates","248947","2020-10-21","18:00:00",""
"7703176","9.4267","0.0012","11.4325","0.0011","12.245","0.001","112.482","0.009","95.143","0.01","92.239","0.009","1210.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 F12 Li2 O8 -","- C16 H18 F12 Li2 O8 -","- C32 H36 F24 Li4 O16 -","2","1","","Peddagopu, Nishant; Rossi, Patrizia; Bonaccorso, Carmela; Bartasyte, Ausrine; Paoli, Paola; Malandrino, Graziella","Facile synthesis of novel lithium β-diketonate glyme adducts: the effect of molecular engineering on the thermal properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1002","1006","10.1039/c9dt04732h","","","1.54184","CuKα","","0.1448","0.0972","","","0.258","0.3398","","","","","","1.085","","","","has coordinates,has disorder","247710","2020-10-21","18:00:00",""
"7703177","17.93","0.001","9.2458","0.0005","30.375","0.002","90","","103.158","0.003","90","","4903.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H15 F36 Li6 O15 -","- C32 H15 F36 Li6 O15 -","- C128 H60 F144 Li24 O60 -","4","1","","Peddagopu, Nishant; Rossi, Patrizia; Bonaccorso, Carmela; Bartasyte, Ausrine; Paoli, Paola; Malandrino, Graziella","Facile synthesis of novel lithium β-diketonate glyme adducts: the effect of molecular engineering on the thermal properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1002","1006","10.1039/c9dt04732h","","","1.54184","CuKα","","0.0722","0.0605","","","0.1418","0.1561","","","","","","1.04","","","","has coordinates,has disorder","247710","2020-10-21","18:00:00",""
"7703178","13.2433","0.0004","17.5048","0.0004","17.494","0.0005","90","","102.056","0.001","90","","3966.03","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 B Fe P -","- C24 H22 B Fe P -","- C192 H176 B8 Fe8 P8 -","8","2","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0367","0.0294","","","0.0776","0.0827","","","","","","1.039","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703179","9.7275","0.0002","19.8","0.0004","18.224","0.0004","90","","96.83","0.001","90","","3485.12","0.13","195","2","195","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H34 Cl4 Fe N3 P Pd -","- C35 H34 Cl4 Fe N3 P Pd -","- C140 H136 Cl16 Fe4 N12 P4 Pd4 -","4","1","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.049","0.0395","","","0.0984","0.1038","","","","","","1.034","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703180","13.9518","0.001","14.5496","0.001","15.0527","0.0011","74.464","0.003","69.985","0.002","69.558","0.002","2651.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H29 B Fe N3 P -","- C31 H29 B Fe N3 P -","- C124 H116 B4 Fe4 N12 P4 -","4","2","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0363","0.0287","","","0.0714","0.0755","","","","","","1.028","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703181","10.7291","0.0004","16.93","0.0007","11.1841","0.0004","90","","106.904","0.002","90","","1943.75","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Fe P -","- C25 H21 Fe P -","- C100 H84 Fe4 P4 -","4","1","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0355","0.028","","","0.0672","0.0703","","","","","","1.046","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703182","10.8315","0.0004","11.6962","0.0003","13.5466","0.0004","70.684","0.001","75.612","0.001","66.996","0.001","1476.68","0.08","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C32.5 H31 B F4 Fe N3 O0.5 P -","- C32 H29 B F4 Fe N3 P -","- C64 H58 B2 F8 Fe2 N6 P2 -","2","1","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0366","0.0347","","","0.0877","0.0891","","","","","","1.048","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703183","9.2664","0.0003","10.9013","0.0004","11.7032","0.0004","100.537","0.001","102.136","0.001","90.509","0.001","1134.92","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H20 F6 Fe O P Sb -","- C24 H20 F6 Fe O P Sb -","- C48 H40 F12 Fe2 O2 P2 Sb2 -","2","1","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0263","0.0225","","","0.0522","0.0538","","","","","","1.061","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703184","13.8591","0.0005","14.5835","0.0005","15.1414","0.0006","73.952","0.001","69.759","0.001","69.491","0.001","2647.02","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H29 B Fe N3 P -","- C31 H29 B Fe N3 P -","- C124 H116 B4 Fe4 N12 P4 -","4","2","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0373","0.0291","","","0.0723","0.0765","","","","","","1.02","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703185","17.8679","0.0006","18.4029","0.0007","20.6479","0.0008","90","","108.503","0.002","90","","6438.5","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 Cl4 Fe N3 P Pd -","- C33 H30 Cl4 Fe N3 P Pd -","- C264 H240 Cl32 Fe8 N24 P8 Pd8 -","8","2","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0491","0.0314","","","0.0648","0.0708","","","","","","1.024","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703186","13.343","0.0005","17.5042","0.0007","34.2142","0.0015","90","","100.577","0.001","90","","7855.2","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 B Fe O P -","- C23 H22 B Fe O P -","- C368 H352 B16 Fe16 O16 P16 -","16","4","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0719","0.0443","","","0.0949","0.1046","","","","","","1.069","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703187","11.2428","0.0003","18.9899","0.0005","17.6975","0.0005","90","","103.776","0.001","90","","3669.72","0.17","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Cl6 Fe N3 P Pd -","- C36 H36 Cl6 Fe N3 P Pd -","- C144 H144 Cl24 Fe4 N12 P4 Pd4 -","4","1","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0349","0.0307","","","0.0784","0.0809","","","","","","1.035","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703188","9.4279","0.0003","13.8649","0.0005","29.8131","0.001","90","","94.786","0.002","90","","3883.5","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 Cl8 Fe N3 P Pd -","- C35 H34 Cl8 Fe N3 P Pd -","- C140 H136 Cl32 Fe4 N12 P4 Pd4 -","4","1","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0496","0.0393","","","0.0936","0.0984","","","","","","1.024","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703189","9.1285","0.0004","12.2213","0.0005","14.4803","0.0005","67.534","0.001","78.595","0.002","86.467","0.002","1463.2","0.1","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C64 H58 B2 Cl2 F8 Fe2 N6 P2 Pd -","- C64 H58 B2 Cl2 F8 Fe2 N6 P2 Pd -","- C64 H58 B2 Cl2 F8 Fe2 N6 P2 Pd -","1","0.5","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","1.54178","CuKα","","0.0578","0.0449","","","0.1186","0.1262","","","","","","1.039","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703190","12.7439","0.0006","13.7121","0.0007","14.1452","0.0007","74.101","0.002","72.724","0.002","82.338","0.002","2266.4","0.2","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C70 H64 B2 Cl22 F8 Fe2 N6 P2 Pd2 -","- C64 H58 B2 Cl4 F8 Fe2 N6 P2 Pd2 -","- C64 H58 B2 Cl4 F8 Fe2 N6 P2 Pd2 -","1","0.5","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0303","0.0256","","","0.0623","0.0644","","","","","","1.035","","","","has coordinates,has disorder","247708","2020-10-21","18:00:00",""
"7703191","10.6351","0.0004","20.9593","0.0007","14.0487","0.0005","90","","93.734","0.002","90","","3124.87","0.19","150","2","150","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C66 H61 B2 Cl2 F8 Fe2 N7 P2 Pd -","- C66 H61 B2 Cl2 F8 Fe2 N7 P2 Pd -","- C132 H122 B4 Cl4 F16 Fe4 N14 P4 Pd2 -","2","1","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.028","0.0235","","","0.0508","0.0523","","","","","","1.005","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703192","12.1884","0.0006","12.2187","0.0006","21.4381","0.001","95.293","0.002","104.82","0.002","105.068","0.002","2937","0.3","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C60 H65 Au B Cl3 F4 Fe N5 P -","- C60 H65 Au B Cl3 F4 Fe N5 P -","- C120 H130 Au2 B2 Cl6 F8 Fe2 N10 P2 -","2","1","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0192","0.0182","","","0.0449","0.0455","","","","","","1.058","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703193","11.8756","0.0006","13.1567","0.0006","20.6753","0.001","105.834","0.002","99.915","0.002","101.336","0.002","2958.6","0.3","120","2","120","2","","","","","","","","10","P -1","-P 1","2","","","","- C120 H132 Au2 B2 Cl6 F8 Fe2 N10 P2 Pd -","- C118 H128 Au2 B2 Cl2 F8 Fe2 N10 P2 Pd -","- C118 H128 Au2 B2 Cl2 F8 Fe2 N10 P2 Pd -","1","0.5","","Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1011","1021","10.1039/c9dt04521j","","","0.71073","MoKα","","0.0405","0.0331","","","0.0689","0.0725","","","","","","1.064","","","","has coordinates","247708","2020-10-21","18:00:00",""
"7703194","7.933","0.0004","9.2516","0.0004","13.6133","0.0008","72.501","0.005","80.034","0.004","68.63","0.004","885.1","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H25 Au N5 P S -","- C12 H25 Au N5 P S -","- C24 H50 Au2 N10 P2 S2 -","2","1","","Abas, Elisa; Pena-Martinez, Raquel; Aguirre-Ramírez, Diego; Rodriguez-Dieguez, Antonio; Laguna, Mariano; Grasa, Laura","New selective thiolate gold(i) complexes inhibit the proliferation of different human cancer cells and induce apoptosis in primary cultures of mouse colon tumors.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1915","1927","10.1039/c9dt04423j","","","0.71073","MoKα","","0.0428","0.0336","","","0.0653","0.0697","","","","","","1.04","","","","has coordinates","248952","2020-10-21","18:00:00",""
"7703195","7.7454","0.0002","13.1136","0.0003","18.2077","0.0005","90","","107.215","0.002","90","","1766.51","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 Au N4 P S2 -","- C13 H22 Au N4 P S2 -","- C52 H88 Au4 N16 P4 S8 -","4","1","","Abas, Elisa; Pena-Martinez, Raquel; Aguirre-Ramírez, Diego; Rodriguez-Dieguez, Antonio; Laguna, Mariano; Grasa, Laura","New selective thiolate gold(i) complexes inhibit the proliferation of different human cancer cells and induce apoptosis in primary cultures of mouse colon tumors.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1915","1927","10.1039/c9dt04423j","","","0.71073","MoKα","","0.0308","0.0268","","","0.0569","0.0588","","","","","","1.094","","","","has coordinates","298703","2025-04-03","05:34:23",""
"7703196","8.9949","0.0003","13.4322","0.0003","22.2195","0.0005","90","","90","","90","","2684.59","0.12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0184","0.018","","","0.0414","0.0415","","","","","","1.061","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703197","9.2119","0.0003","13.8148","0.0004","21.0387","0.0007","90","","90","","90","","2677.4","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0468","0.0392","","","0.0801","0.0842","","","","","","1.073","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703198","9.1501","0.0002","13.7683","0.0003","21.2469","0.0006","90","","90","","90","","2676.71","0.11","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0332","0.0311","","","0.0657","0.0666","","","","","","1.127","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703199","9.1016","0.0002","13.721","0.0002","21.3715","0.0005","90","","90","","90","","2668.94","0.09","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0226","0.0219","","","0.0486","0.0488","","","","","","1.099","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703200","9.0828","0.0003","13.5665","0.0006","21.9449","0.0007","90","","90","","90","","2704.09","0.17","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0496","0.0425","","","0.0904","0.0944","","","","","","1.088","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703201","9.0371","0.0002","13.4875","0.0003","22.1334","0.0006","90","","90","","90","","2697.79","0.11","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0336","0.0293","","","0.0577","0.0597","","","","","","1.117","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703202","9.1982","0.0003","13.8073","0.0004","21.0754","0.0007","90","","90","","90","","2676.62","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0394","0.034","","","0.074","0.0768","","","","","","1.066","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703203","9.1902","0.0003","13.7947","0.0004","21.1368","0.0006","90","","90","","90","","2679.64","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0342","0.0312","","","0.0654","0.0669","","","","","","1.085","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703204","9.0217","0.0003","13.4571","0.0004","22.167","0.0007","90","","90","","90","","2691.21","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0368","0.0326","","","0.0647","0.0663","","","","","","1.083","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703205","9.1085","0.0002","13.6961","0.0004","22.0657","0.0006","90","","90","","90","","2752.72","0.13","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0244","0.0214","","","0.0473","0.0485","","","","","","1.075","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703206","9.0023","0.0003","13.4423","0.0004","22.2172","0.0006","90","","90","","90","","2688.54","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0415","0.0317","","","0.0614","0.0664","","","","","","1.1","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703207","9.0125","0.0002","13.4564","0.0004","22.2004","0.0006","90","","90","","90","","2692.37","0.12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0309","0.0269","","","0.0571","0.0591","","","","","","1.085","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703208","9.1411","0.0002","13.7205","0.0004","22.0086","0.0007","90","","90","","90","","2760.33","0.13","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0366","0.0333","","","0.0733","0.0745","","","","","","1.176","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703209","9.1896","0.0002","13.771","0.0005","21.9398","0.0007","90","","90","","90","","2776.48","0.15","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0343","0.0291","","","0.0614","0.0635","","","","","","1.065","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703210","9.1362","0.0003","13.7345","0.0005","22.0425","0.0006","90","","90","","90","","2765.92","0.16","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0335","0.0292","","","0.0686","0.0707","","","","","","1.052","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703211","9.1909","0.0002","13.7781","0.0005","21.9247","0.0008","90","","90","","90","","2776.39","0.16","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0344","0.029","","","0.0635","0.0659","","","","","","1.049","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703212","8.9898","0.0003","13.4342","0.0004","22.225","0.0007","90","","90","","90","","2684.13","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0371","0.0359","","","0.0872","0.0876","","","","","","1.163","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703213","9.1889","0.0002","13.7799","0.0005","21.9332","0.0008","90","","90","","90","","2777.23","0.16","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0353","0.0295","","","0.0634","0.0658","","","","","","1.063","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703214","9.1109","0.0003","13.6934","0.0004","22.0688","0.0008","90","","90","","90","","2753.29","0.16","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0325","0.0282","","","0.068","0.07","","","","","","1.078","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703215","9.104","0.0003","13.6965","0.0005","22.0624","0.0008","90","","90","","90","","2751.03","0.17","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0265","0.0233","","","0.0518","0.0529","","","","","","1.032","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703216","9.1076","0.0004","13.7017","0.0005","22.0801","0.0008","90","","90","","90","","2755.37","0.19","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0285","0.0247","","","0.0563","0.0579","","","","","","1.04","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703217","9.1739","0.0003","13.7586","0.0005","21.956","0.0008","90","","90","","90","","2771.29","0.17","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0371","0.0317","","","0.0732","0.0758","","","","","","1.047","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703218","9.1319","0.0004","13.7198","0.0007","22.0525","0.0014","90","","90","","90","","2762.9","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0435","0.0372","","","0.0811","0.0835","","","","","","1.072","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703219","9.107","0.0003","13.7339","0.0004","21.3545","0.0006","90","","90","","90","","2670.91","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0334","0.0309","","","0.0715","0.0727","","","","","","1.049","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703220","9.1279","0.0004","13.7226","0.0006","22.0317","0.001","90","","90","","90","","2759.7","0.2","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0438","0.0383","","","0.0997","0.1024","","","","","","1.039","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703221","9.1186","0.0002","13.7072","0.0004","22.0615","0.0007","90","","90","","90","","2757.48","0.13","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0361","0.0319","","","0.0782","0.0804","","","","","","1.069","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703222","6.6777","0.001","7.7245","0.0011","14.17","0.002","83.442","0.003","89.351","0.003","67.197","0.003","668.95","0.17","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H16 B10 O -","- C9 H16 B10 O -","- C18 H32 B20 O2 -","2","1","","Cui, Chun-Xiao; Zhang, Jie; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular dehydrogenative coupling of BH and OH: synthesis of carborane-fused benzoxaboroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1380","1383","10.1039/c9dt04553h","","","0.71073","MoKα","","0.1194","0.0569","","","0.1326","0.166","","","","","","1.0572","","","","has coordinates","248937","2020-10-21","18:00:00",""
"7703223","6.7025","0.0007","9.3292","0.001","13.3822","0.0014","90","","92.85","0.002","90","","835.74","0.15","130","","130","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H22 B10 O -","- C12 H22 B10 O -","- C24 H44 B20 O2 -","2","0.5","","Cui, Chun-Xiao; Zhang, Jie; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular dehydrogenative coupling of BH and OH: synthesis of carborane-fused benzoxaboroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1380","1383","10.1039/c9dt04553h","","","0.71073","MoKα","","0.0587","0.0494","","","0.1399","0.1472","","","","","","1.076","","","","has coordinates,has disorder","248937","2020-10-21","18:00:00",""
"7703224","10.1038","0.0014","10.5666","0.0015","26.989","0.004","90","","95.92","0.002","90","","2866.1","0.7","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H16 B10 O2 -","- C9 H16 B10 O2 -","- C72 H128 B80 O16 -","8","2","","Cui, Chun-Xiao; Zhang, Jie; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular dehydrogenative coupling of BH and OH: synthesis of carborane-fused benzoxaboroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1380","1383","10.1039/c9dt04553h","","","0.71073","MoKα","","0.0845","0.055","","","0.1441","0.1626","","","","","","1.0194","","","","has coordinates","248937","2020-10-21","18:00:00",""
"7703225","12.8648","0.0012","7.0291","0.0007","14.895","0.0014","90","","90.789","0.002","90","","1346.8","0.2","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H16 B10 O -","- C9 H16 B10 O -","- C36 H64 B40 O4 -","4","1","","Cui, Chun-Xiao; Zhang, Jie; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular dehydrogenative coupling of BH and OH: synthesis of carborane-fused benzoxaboroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1380","1383","10.1039/c9dt04553h","","","0.71073","MoKα","","0.0519","0.0435","","","0.1266","0.1348","","","","","","1.051","","","","has coordinates","248937","2020-10-21","18:00:00",""
"7703226","6.6814","0.0007","20.124","0.002","9.4317","0.001","90","","92.779","0.002","90","","1266.7","0.2","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H13 B10 F O -","- C8 H13 B10 F O -","- C32 H52 B40 F4 O4 -","4","1","","Cui, Chun-Xiao; Zhang, Jie; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular dehydrogenative coupling of BH and OH: synthesis of carborane-fused benzoxaboroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1380","1383","10.1039/c9dt04553h","","","0.71073","MoKα","","0.0636","0.0455","","","0.1202","0.1346","","","","","","1.0465","","","","has coordinates","248937","2020-10-21","18:00:00",""
"7703251","12.1001","0.0002","13.0329","0.0002","25.4723","0.0004","90","","93.654","0.001","90","","4008.8","0.11","213","0.02","213","0.02","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 N4 O4 -","- C50 H40 N4 O4 -","- C200 H160 N16 O16 -","4","1","","Wang, Ning; Zhang, Junying; Xu, Xing-Dong; Feng, Shengyu","Turn-on fluorescence in a pyridine-decorated tetraphenylethylene: the cooperative effect of coordination-driven rigidification and silver ion induced aggregation.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1883","1890","10.1039/c9dt03985f","","x-ray","1.54184","CuKα","","0.0522","0.0389","","","0.0953","0.1051","","","","","","1.031","","","","has coordinates","248956","2020-10-21","18:00:00",""
"7703252","10.17488","0.0001","36.4687","0.0005","15.21799","0.00016","90","","93.2503","0.0009","90","","5637.77","0.11","173","0.02","173","0.02","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 Ag2 Cl4 F6 N4 O10 S2 -","- C54 H44 Ag2 Cl4 F6 N4 O10 S2 -","- C216 H176 Ag8 Cl16 F24 N16 O40 S8 -","4","1","","Wang, Ning; Zhang, Junying; Xu, Xing-Dong; Feng, Shengyu","Turn-on fluorescence in a pyridine-decorated tetraphenylethylene: the cooperative effect of coordination-driven rigidification and silver ion induced aggregation.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1883","1890","10.1039/c9dt03985f","","x-ray","1.54184","CuKα","","0.084","0.0564","","","0.1316","0.1534","","","","","","1.093","","","","has coordinates","248956","2020-10-21","18:00:00",""
"7703253","15.1288","0.0003","14.0651","0.0003","29.2057","0.0004","90","","95.672","0.002","90","","6184.2","0.2","173","0.02","173","0.02","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C54 H44 Ag4 F12 N4 O18 S4 -","- C54 H44 Ag4 F12 N4 O18 S4 -","- C216 H176 Ag16 F48 N16 O72 S16 -","4","0.5","","Wang, Ning; Zhang, Junying; Xu, Xing-Dong; Feng, Shengyu","Turn-on fluorescence in a pyridine-decorated tetraphenylethylene: the cooperative effect of coordination-driven rigidification and silver ion induced aggregation.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1883","1890","10.1039/c9dt03985f","","x-ray","1.54184","CuKα","","0.0437","0.0367","","","0.0903","0.0985","","","","","","1.038","","","","has coordinates","248956","2020-10-21","18:00:00",""
"7703254","9.9882","0.0004","8.155","0.0003","34.8663","0.0009","90","","97.262","0.003","90","","2817.21","0.17","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H56 Mo2 O8 P4 -","- C60 H56 Mo2 O8 P4 -","- C120 H112 Mo4 O16 P8 -","2","0.5","","Knöfel, Nicolai D; Schoo, Christoph; Seifert, Tim P.; Roesky, Peter W.","A dimolybdenum paddlewheel as a building block for heteromultimetallic structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1513","1521","10.1039/c9dt04167b","","x-ray","0.71073","MoKα","","0.0385","0.0294","","","0.0677","0.0709","","","","","","0.96","","","","has coordinates","248934","2020-10-21","18:00:00",""
"7703255","16.7915","0.0004","18.7734","0.0005","19.3826","0.0005","115.497","0.002","92.1","0.002","110.887","0.002","5019.9","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C98 H84 Au4 F20 Mo2 O11.5 P4 -","- C98 H84 Au4 F20 Mo2 O11.5 P4 -","- C196 H168 Au8 F40 Mo4 O23 P8 -","2","1","","Knöfel, Nicolai D; Schoo, Christoph; Seifert, Tim P.; Roesky, Peter W.","A dimolybdenum paddlewheel as a building block for heteromultimetallic structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1513","1521","10.1039/c9dt04167b","","x-ray","0.71073","MoKα","","0.0709","0.056","","","0.148","0.1579","","","","","","1.015","","","","has coordinates,has disorder","248934","2020-10-21","18:00:00",""
"7703256","11.4314","0.001","17.3797","0.0013","17.3723","0.0016","91.633","0.007","100.343","0.007","102.881","0.006","3301.4","0.5","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C109 H130 Cl26 Mo2 O8 P4 Ru4 -","- C106 H124 Cl20 Mo2 O8 P4 Ru4 -","- C106 H124 Cl20 Mo2 O8 P4 Ru4 -","1","0.5","","Knöfel, Nicolai D; Schoo, Christoph; Seifert, Tim P.; Roesky, Peter W.","A dimolybdenum paddlewheel as a building block for heteromultimetallic structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1513","1521","10.1039/c9dt04167b","","x-ray","0.71073","MoKα","","0.1406","0.0931","","","0.2392","0.2821","","","","","","1.033","","","","has coordinates","248934","2020-10-21","18:00:00",""
"7703257","10.8365","0.0003","16.7623","0.0005","20.7559","0.0006","105.261","0.002","102.501","0.002","104.496","0.002","3356.71","0.18","210","","210","","","","","","","","","7","P -1","-P 1","2","","","","- C120 H160 Cl4 Ir4 Mo2 O15 P4 -","- C108 H136 Cl4 Ir4 Mo2 O12 P4 -","- C108 H136 Cl4 Ir4 Mo2 O12 P4 -","1","0.5","","Knöfel, Nicolai D; Schoo, Christoph; Seifert, Tim P.; Roesky, Peter W.","A dimolybdenum paddlewheel as a building block for heteromultimetallic structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1513","1521","10.1039/c9dt04167b","","x-ray","0.71073","MoKα","","0.0487","0.0365","","","0.1037","0.112","","","","","","1.037","","","","has coordinates","248934","2020-10-21","18:00:00",""
"7703258","21.6562","0.0007","18.6547","0.0007","24.8118","0.0007","90","","90","","90","","10023.7","0.6","150","","150","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C84 H104 Au4 Cl4 Mo2 O14 P4 -","- C68 H72 Au4 Cl4 Mo2 O10 P4 -","- C272 H288 Au16 Cl16 Mo8 O40 P16 -","4","0.5","","Knöfel, Nicolai D; Schoo, Christoph; Seifert, Tim P.; Roesky, Peter W.","A dimolybdenum paddlewheel as a building block for heteromultimetallic structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1513","1521","10.1039/c9dt04167b","","x-ray","0.71073","MoKα","","0.1423","0.0737","","","0.1819","0.2283","","","","","","1.004","","","","has coordinates","248934","2020-10-21","18:00:00",""
"7703259","10.8868","0.0005","16.6804","0.0009","20.7303","0.0011","105.13","0.004","102.169","0.004","104.645","0.004","3358","0.3","210","","210","","","","","","","","","7","P -1","-P 1","2","","","","- C120 H160 Cl4 Mo2 O15 P4 Rh4 -","- C104 H128 Cl4 Mo2 O11 P4 Rh4 -","- C104 H128 Cl4 Mo2 O11 P4 Rh4 -","1","0.5","","Knöfel, Nicolai D; Schoo, Christoph; Seifert, Tim P.; Roesky, Peter W.","A dimolybdenum paddlewheel as a building block for heteromultimetallic structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1513","1521","10.1039/c9dt04167b","","x-ray","0.71073","MoKα","","0.0797","0.0595","","","0.1703","0.1868","","","","","","1.015","","","","has coordinates","248934","2020-10-21","18:00:00",""
"7703260","17.918","0.005","13.341","0.005","19.445","0.005","90","","117.054","0.005","90","","4140","2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 P2 Si2 -","- C52 H48 P2 Si2 -","- C208 H192 P8 Si8 -","4","1","","Holsten, Sebastian; Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Proximity enforced oxidative addition of a strong unpolar σ-Si-Si bond at rhodium(i).","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1731","1735","10.1039/d0dt00017e","","","0.71073","MoKα","","0.068","0.0444","","","0.1058","0.1149","","","","","","1.037","","","","has coordinates","248955","2020-10-21","18:00:00",""
"7703261","44.7754","0.0014","11.8417","0.0004","16.7861","0.0005","90","","90","","90","","8900.3","0.5","100","","100","","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C55 H50 Cl F P2 Rh Si2 -","- C55 H50 Cl F P2 Rh Si2 -","- C440 H400 Cl8 F8 P16 Rh8 Si16 -","8","1","","Holsten, Sebastian; Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Proximity enforced oxidative addition of a strong unpolar σ-Si-Si bond at rhodium(i).","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1731","1735","10.1039/d0dt00017e","","","0.71073","MoKα","","0.0593","0.0504","","","0.1207","0.1272","","","","","","1.35","","","","has coordinates","248955","2020-10-21","18:00:00",""
"7703262","12.4426","0.0004","12.7883","0.0004","15.2203","0.0005","108.476","0.003","104.868","0.003","103.354","0.003","2087.32","0.14","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H30 B F20 Sb -","- C44 H30 B F20 Sb -","- C88 H60 B2 F40 Sb2 -","2","1","","Coughlin, Omar; Krämer, Tobias; Benjamin, Sophie L.","Diverse structure and reactivity of pentamethylcyclopentadienyl antimony(iii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1726","1730","10.1039/d0dt00024h","","x-ray","0.71073","MoKα","","0.0714","0.0452","","","0.0853","0.0978","","","","","","1.039","","","","has coordinates","248949","2020-10-21","18:00:00",""
"7703263","10.212","0.0002","13.0608","0.0004","8.1901","0.0002","90","","90","","90","","1092.37","0.05","150","0.1","150","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H15 F2 Sb -","- C10 H15 F2 Sb -","- C40 H60 F8 Sb4 -","4","0.5","","Coughlin, Omar; Krämer, Tobias; Benjamin, Sophie L.","Diverse structure and reactivity of pentamethylcyclopentadienyl antimony(iii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1726","1730","10.1039/d0dt00024h","","x-ray","0.71073","MoKα","","0.0321","0.0222","","","0.0406","0.0431","","","","","","1.041","","","","has coordinates,has disorder","248949","2020-10-21","18:00:00",""
"7703264","10.5921","0.0007","12.6396","0.0008","12.8627","0.0008","90.679","0.005","96.606","0.005","104.469","0.005","1654.89","0.19","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H15 B Cl F20 Sb -","- C34 H15 B Cl F20 Sb -","- C68 H30 B2 Cl2 F40 Sb2 -","2","1","","Coughlin, Omar; Krämer, Tobias; Benjamin, Sophie L.","Diverse structure and reactivity of pentamethylcyclopentadienyl antimony(iii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1726","1730","10.1039/d0dt00024h","","x-ray","0.71073","MoKα","","0.1196","0.0683","","","0.0966","0.1178","","","","","","1.011","","","","has coordinates","248949","2020-10-21","18:00:00",""
"7703265","17.1165","0.0003","15.8699","0.0003","16.6561","0.0003","90","","90","","90","","4524.42","0.14","150.01","0.1","150.01","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H30 F3 O3 S Sb -","- C21 H30 F3 O3 S Sb -","- C168 H240 F24 O24 S8 Sb8 -","8","2","","Coughlin, Omar; Krämer, Tobias; Benjamin, Sophie L.","Diverse structure and reactivity of pentamethylcyclopentadienyl antimony(iii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1726","1730","10.1039/d0dt00024h","","x-ray","0.71073","MoKα","","0.0869","0.049","","","0.0674","0.0807","","","","","","1.018","","","","has coordinates","248949","2020-10-21","18:00:00",""
"7703266","10.6582","0.0003","12.6174","0.0004","12.8229","0.0003","90.784","0.002","95.717","0.002","105.278","0.003","1653.76","0.08","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H15 B Cl0.4 F20.6 Sb -","- C34 H15 B Cl0.4 F20.6 Sb -","- C68 H30 B2 Cl0.8 F41.2 Sb2 -","2","1","","Coughlin, Omar; Krämer, Tobias; Benjamin, Sophie L.","Diverse structure and reactivity of pentamethylcyclopentadienyl antimony(iii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1726","1730","10.1039/d0dt00024h","","x-ray","0.71073","MoKα","","0.1352","0.0813","","","0.1308","0.1464","","","","","","1.158","","","","has coordinates,has disorder","248949","2020-10-21","18:00:00",""
"7703267","18.2924","0.0002","17.8036","0.0002","17.4223","0.0002","90","","113.529","0.001","90","","5202.19","0.11","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H41 B F22 N2 Sb -","- C58 H41 B F22 N2 Sb -","- C232 H164 B4 F88 N8 Sb4 -","4","1","","Coughlin, Omar; Krämer, Tobias; Benjamin, Sophie L.","Diverse structure and reactivity of pentamethylcyclopentadienyl antimony(iii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1726","1730","10.1039/d0dt00024h","","x-ray","1.54184","CuKα","","0.0884","0.0823","","","0.2431","0.2467","","","","","","1.101","","","","has coordinates,has disorder","248949","2020-10-21","18:00:00",""
"7703268","12.4453","0.0002","14.3947","0.0003","33.7578","0.0004","90","","90","","90","","6047.59","0.17","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H32 Cl2 N8 O9 Zn -","- C27 H32 Cl2 N8 O9 Zn -","- C216 H256 Cl16 N64 O72 Zn8 -","8","1","","Ambrosi, Gianluca; Clares, Maria Paz; Pont, Isabel; Formica, Mauro; Fusi, Vieri; Ricci, Angela; Paoli, Paola; Rossi, Patrizia; García-España, Enrique; Inclán, Mario","Zn2+ and Cu2+ complexes of a Fluorescent Scorpiand-type Oxadiazole Azamacrocycle Ligand: Crystal Structures, Solution Study and Optical Properties","Dalton Transactions","2020","","","","","10.1039/C9DT04764F","","","1.54184","CuKα","","0.0659","0.0432","","","0.1127","0.1287","","","","","","1.068","","","","has coordinates","246852","2020-10-21","18:00:00",""
"7703269","12.3325","0.0003","14.5161","0.0004","33.7255","0.0007","90","","90","","90","","6037.5","0.3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H32 Cl2 Cu N8 O9 -","- C27 H32 Cl2 Cu N8 O9 -","- C216 H256 Cl16 Cu8 N64 O72 -","8","1","","Ambrosi, Gianluca; Clares, Maria Paz; Pont, Isabel; Formica, Mauro; Fusi, Vieri; Ricci, Angela; Paoli, Paola; Rossi, Patrizia; García-España, Enrique; Inclán, Mario","Zn2+ and Cu2+ complexes of a Fluorescent Scorpiand-type Oxadiazole Azamacrocycle Ligand: Crystal Structures, Solution Study and Optical Properties","Dalton Transactions","2020","","","","","10.1039/C9DT04764F","","","1.54184","CuKα","","0.0495","0.0381","","","0.0991","0.1086","","","","","","1.053","","","","has coordinates","246852","2020-10-21","18:00:00",""
"7703270","11.7568","0.0008","12.4231","0.0009","14.5497","0.001","68.256","0.002","79.612","0.002","78.9","0.002","1923","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H56 Ce Cl0.5 N5.5 O14.5 P -","- C30 H56 Ce Cl0.5 N5.5 O14.5 P -","- C60 H112 Ce2 Cl N11 O29 P2 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.0301","0.0271","","","0.0718","0.0732","","","","","","1.067","","","","has coordinates,has disorder","248941","2020-10-21","18:00:00",""
"7703271","24.3204","0.0004","10.4214","0.0001","15.191","0.0002","90","","107.602","0.001","90","","3669.93","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H52 Er N6 O12 P -","- C30 H52 Er N6 O12 P -","- C120 H208 Er4 N24 O48 P4 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.0404","0.03","","","0.0653","0.0702","","","","","","1.025","","","","has coordinates","248941","2020-10-21","18:00:00",""
"7703272","47.048","0.002","10.2943","0.0004","15.2057","0.0007","90","","90.717","0.002","90","","7363.9","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H52 N6 O12 P Tb -","- C30 H52 N6 O12 P Tb -","- C240 H416 N48 O96 P8 Tb8 -","8","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.0566","0.0522","","","0.1142","0.1159","","","","","","1.24","","","","has coordinates,has disorder","248941","2020-10-21","18:00:00",""
"7703273","47.136","0.003","10.3082","0.0005","15.2253","0.0008","90","","90.685","0.002","90","","7397.3","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H52 Eu N6 O12 P -","- C29.994 H51.993 Eu N6 O12 P -","- C239.952 H415.944 Eu8 N48 O96 P8 -","8","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.059","0.0567","","","0.1358","0.1369","","","","","","1.382","","","","has coordinates,has disorder","248941","2020-10-21","18:00:00",""
"7703274","10.2212","0.001","15.323","0.0013","25.162","0.002","77.957","0.003","78.577","0.003","89.761","0.003","3774.9","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H48.5 Er N5 Na O12.25 P -","- C30 H40 Er N5 Na O12.25 P -","- C120 H160 Er4 N20 Na4 O49 P4 -","4","2","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.101","0.0915","","","0.2019","0.2082","","","","","","1.092","","","","has coordinates,has disorder","248941","2020-10-21","18:00:00",""
"7703275","11.7803","0.0008","12.4274","0.0009","14.5862","0.0011","68.147","0.002","79.566","0.002","78.962","0.002","1931.1","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H56 Cl0.5 N5.5 O14.5 P Pr -","- C30 H56 Cl0.5 N5.5 O14.5 P Pr -","- C60 H112 Cl N11 O29 P2 Pr2 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.03","0.0286","","","0.0776","0.0785","","","","","","1.055","","","","has coordinates,has disorder","248941","2020-10-21","18:00:00",""
"7703276","49.3984","0.0012","10.1801","0.0002","15.3464","0.0004","90","","102.544","0.002","90","","7533.2","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H104 N10 Na2 O28 P2 Yb2 -","- C60 H80 N10 Na2 O28 P2 Yb2 -","- C240 H320 N40 Na8 O112 P8 Yb8 -","4","0.5","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.0495","0.0402","","","0.099","0.1039","","","","","","1.075","","","","has coordinates,has disorder","291143","2024-04-09","08:50:59",""
"7703277","10.5893","0.0005","12.4277","0.0006","14.6008","0.0008","112.071","0.002","92.429","0.002","109.292","0.002","1649.94","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H47 N5 Nd O11 P -","- C30 H43 N5 Nd O11 P -","- C60 H86 N10 Nd2 O22 P2 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.0613","0.0433","","","0.0742","0.0798","","","","","","1.094","","","","has coordinates,has disorder","248941","2020-10-21","18:00:00",""
"7703278","24.0303","0.0016","10.3449","0.0006","15.143","0.0011","90","","107.497","0.003","90","","3590.2","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H52 N6 O12 P Sc -","- C30 H52 N6 O12 P Sc -","- C120 H208 N24 O48 P4 Sc4 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.0455","0.0389","","","0.0983","0.1028","","","","","","1.041","","","","has coordinates","248941","2020-10-21","18:00:00",""
"7703279","47.041","0.008","10.2877","0.0014","15.205","0.002","90","","90.65","0.001","90","","7357.9","1.9","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H52 N6 O12 P Sm -","- C30 H52 N6 O12 P Sm -","- C240 H416 N48 O96 P8 Sm8 -","8","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.0637","0.0626","","","0.1671","0.1674","","","","","","1.465","","","","has coordinates,has disorder","248941","2020-10-21","18:00:00",""
"7703280","47.142","0.002","10.3053","0.0004","15.3151","0.0007","90","","90.722","0.002","90","","7439.7","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H52 N6 Nd O12 P -","- C30 H52 N6 Nd O12 P -","- C240 H416 N48 Nd8 O96 P8 -","8","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.1147","0.1067","","","0.2324","0.2357","","","","","","1.293","","","","has coordinates,has disorder","248941","2020-10-21","18:00:00",""
"7703281","24.2222","0.0007","10.1613","0.0002","15.4093","0.0004","90","","95.455","0.001","90","","3775.5","0.16","150","2","150","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C30 H54 Ca0.5 Gd N5 O15 P -","- C30 H48 Ca0.5 Gd N5 O15 P -","- C120 H192 Ca2 Gd4 N20 O60 P4 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.0714","0.0616","","","0.1484","0.1548","","","","","","1.058","","","","has coordinates,has disorder","248941","2020-10-21","18:00:00",""
"7703282","9.9701","0.0002","15.3519","0.0003","11.421","0.0003","90","","94.9903","0.0008","90","","1741.47","0.07","150","2","150","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C30 H47 Cl N6 O9 P Tb -","- C30 H47 Cl N6 O9 P Tb -","- C60 H94 Cl2 N12 O18 P2 Tb2 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.0252","0.0228","","","0.0484","0.0495","","","","","","1.017","","","","has coordinates","248941","2020-10-21","18:00:00",""
"7703283","24.1798","0.0013","10.1265","0.0005","15.2799","0.0008","90","","95.775","0.002","90","","3722.4","0.3","120","2","120","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C30 H52 Ca0.5 Ho N5 O14 P -","- C30 H47 Ca0.5 Ho N5 O14 P -","- C120 H188 Ca2 Ho4 N20 O56 P4 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.1103","0.1022","","","0.24","0.2429","","","","","","1.338","","","","has coordinates,has disorder","248941","2020-10-21","18:00:00",""
"7703284","33.417","0.002","15.8768","0.0009","25.8861","0.0017","90","","108.751","0.003","90","","13005.1","1.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70.3 H47.78 B3 Br0.52 F30 N2 P -","- C70.298 H47.7755 B3 Br0.5255 F30 N2 P -","- C562.384 H382.204 B24 Br4.204 F240 N16 P8 -","8","1","","Lam, Jolie; Cao, Levy L.; Farrell, Jeffrey M.; Stephan, Douglas W.","Reactions of carbene-stabilized borenium cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1839","1846","10.1039/c9dt04731j","","","0.71073","MoKα","","0.0666","0.0434","","","0.1026","0.1164","","","","","","1.013","","","","has coordinates,has disorder","248948","2020-10-21","18:00:00",""
"7703285","11.122","0.0005","14.2342","0.0006","15.0759","0.0006","114.156","0.002","90.165","0.002","100.617","0.003","2132.27","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H23 B2 F20 N3 -","- C48 H23 B2 F20 N3 -","- C96 H46 B4 F40 N6 -","2","1","","Lam, Jolie; Cao, Levy L.; Farrell, Jeffrey M.; Stephan, Douglas W.","Reactions of carbene-stabilized borenium cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1839","1846","10.1039/c9dt04731j","","","0.71073","MoKα","","0.1019","0.0449","","","0.0933","0.1228","","","","","","0.995","","","","has coordinates","248948","2020-10-21","18:00:00",""
"7703286","13.8682","0.001","16.2404","0.0013","16.2477","0.0012","78.806","0.005","80.992","0.004","66.332","0.004","3275.2","0.4","149","2","149","2","","","","","","","","6","P -1","-P 1","2","","","","- C66.49 H39.99 B3 Cl4 F15 N4 -","- C66.5 H40 B3 Cl4 F15 N4 -","- C133 H80 B6 Cl8 F30 N8 -","2","1","","Lam, Jolie; Cao, Levy L.; Farrell, Jeffrey M.; Stephan, Douglas W.","Reactions of carbene-stabilized borenium cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1839","1846","10.1039/c9dt04731j","","","0.71073","MoKα","","0.1801","0.0781","","","0.1806","0.2089","","","","","","0.917","","","","has coordinates,has disorder","248948","2020-10-21","18:00:00",""
"7703287","60.7581","0.0003","60.7581","0.0003","60.7581","0.0003","90","","90","","90","","224291","1.9","291","2","291","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C98 H117 Cl16 Cu12 N65 O17 -","- C84 H96 Cl16 Cu12 N58 O17 -","- C2016 H2304 Cl384 Cu288 N1392 O408 -","24","0.125","","Zhang, Rui; Meng, De-Xian; Ge, Fa-Yuan; Huang, Jv-Hua; Wang, Li-Fei; Xv, Yong-Kai; Liu, Xing-Gui; Meng, Mei-Mei; Yan, Hong; Lu, Zhen-Zhong; Zheng, He-Gen; Huang, Wei","Tetrazole-based porous metal-organic frameworks for selective CO<sub>2</sub> adsorption and isomerization studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2145","2150","10.1039/c9dt04068d","","","0.71073","MoKα","","0.0444","0.0392","","","0.095","0.0954","","","","","","1.074","","","","has coordinates,has disorder","248965","2020-10-21","18:00:00",""
"7703288","9.2798","0.0016","12.302","0.002","12.377","0.002","61.304","0.003","86.912","0.003","88.272","0.004","1237.6","0.4","295","2","295.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 Cu3 N38 O2 -","- C30 H18 Cu3 N36 -","- C30 H18 Cu3 N36 -","1","0.5","","Zhang, Rui; Meng, De-Xian; Ge, Fa-Yuan; Huang, Jv-Hua; Wang, Li-Fei; Xv, Yong-Kai; Liu, Xing-Gui; Meng, Mei-Mei; Yan, Hong; Lu, Zhen-Zhong; Zheng, He-Gen; Huang, Wei","Tetrazole-based porous metal-organic frameworks for selective CO<sub>2</sub> adsorption and isomerization studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2145","2150","10.1039/c9dt04068d","","","0.71073","MoKα","","0.0943","0.0625","","","0.1031","0.1116","","","","","","0.886","","","","has coordinates","248965","2020-10-21","18:00:00",""
"7703289","9.7153","0.0014","6.9002","0.001","9.9555","0.0014","90","","90.104","0.003","90","","667.39","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Cu N12 -","- C10 H6 Cu N12 -","- C20 H12 Cu2 N24 -","2","0.5","","Zhang, Rui; Meng, De-Xian; Ge, Fa-Yuan; Huang, Jv-Hua; Wang, Li-Fei; Xv, Yong-Kai; Liu, Xing-Gui; Meng, Mei-Mei; Yan, Hong; Lu, Zhen-Zhong; Zheng, He-Gen; Huang, Wei","Tetrazole-based porous metal-organic frameworks for selective CO<sub>2</sub> adsorption and isomerization studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2145","2150","10.1039/c9dt04068d","","","0.71073","MoKα","","0.027","0.0259","","","0.0842","0.0855","","","","","","1.045","","","","has coordinates","248965","2020-10-21","18:00:00",""
"7703290","13.7573","0.0002","14.4965","0.0002","18.0509","0.0002","76.858","0.001","87.683","0.001","69.42","0.001","3278.85","0.08","170","0.1","170","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C57 H66 Dy2 F12 N4 O19 Zn2 -","- C57 H66 Dy2 F12 N4 O19 Zn2 -","- C114 H132 Dy4 F24 N8 O38 Zn4 -","2","1","","Liu, Cai-Ming; Zhang, De-Qing; Hao, Xiang; Zhu, Dao-Ben","Zn<sub>2</sub>Ln<sub>2</sub> complexes with carbonate bridges formed by the fixation of carbon dioxide in the atmosphere: single-molecule magnet behaviour and magnetocaloric effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2121","2128","10.1039/c9dt04480a","","x-ray","0.71073","MoKα","","0.0231","0.0212","","","0.0491","0.0499","","","","","","1.024","","","","has coordinates,has disorder","248974","2020-10-21","18:00:00",""
"7703291","13.792","0.0002","14.5529","0.0002","18.1149","0.0002","76.755","0.001","87.446","0.001","69.437","0.001","3311.12","0.08","170","0.11","170","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C57 H66 Eu2 F12 N4 O19 Zn2 -","- C57 H66 Eu2 F12 N4 O19 Zn2 -","- C114 H132 Eu4 F24 N8 O38 Zn4 -","2","1","","Liu, Cai-Ming; Zhang, De-Qing; Hao, Xiang; Zhu, Dao-Ben","Zn<sub>2</sub>Ln<sub>2</sub> complexes with carbonate bridges formed by the fixation of carbon dioxide in the atmosphere: single-molecule magnet behaviour and magnetocaloric effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2121","2128","10.1039/c9dt04480a","","x-ray","1.54184","CuKα","","0.0407","0.0365","","","0.0936","0.0976","","","","","","1.021","","","","has coordinates,has disorder","248974","2020-10-21","18:00:00",""
"7703292","13.7623","0.0002","14.5407","0.0002","18.0644","0.0002","76.86","0.001","87.565","0.001","69.419","0.001","3292.83","0.08","170.01","0.1","170.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C57 H66 F12 Gd2 N4 O19 Zn2 -","- C57 H66 F12 Gd2 N4 O19 Zn2 -","- C114 H132 F24 Gd4 N8 O38 Zn4 -","2","1","","Liu, Cai-Ming; Zhang, De-Qing; Hao, Xiang; Zhu, Dao-Ben","Zn<sub>2</sub>Ln<sub>2</sub> complexes with carbonate bridges formed by the fixation of carbon dioxide in the atmosphere: single-molecule magnet behaviour and magnetocaloric effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2121","2128","10.1039/c9dt04480a","","x-ray","0.71073","MoKα","","0.0231","0.0206","","","0.0484","0.0494","","","","","","1.03","","","","has coordinates,has disorder","248974","2020-10-21","18:00:00",""
"7703293","25.0243","0.0015","6.0344","0.0003","11.7615","0.0006","90","","104.112","0.005","90","","1722.46","0.16","373","2","373","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H24 Cl4 N2 Pb -","- C10 H24 Cl4 N2 Pb -","- C40 H96 Cl16 N8 Pb4 -","4","0.5","","Chai, Siqian; Xiong, Jianbo; Zheng, Yongshen; Shi, Rongchao; Xu, Jialiang","Dielectric phase transition of an A<sub>2</sub>BX<sub>4</sub>-type perovskite with a pentahedral to octahedral transformation.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2218","2224","10.1039/c9dt04270a","","","1.54178","CuKα","","0.0959","0.0954","","","0.24","0.2413","","","","","","1.026","","","","has coordinates,has disorder","248968","2020-10-21","18:00:00",""
"7703294","12.15","0.05","24.9","0.07","6.2","0.01","90","","90","","90","","1876","10","210","2","210","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H24 Br4 N2 Pb -","- C10 H24 Br4 N2 Pb -","- C40 H96 Br16 N8 Pb4 -","4","0.5","","Chai, Siqian; Xiong, Jianbo; Zheng, Yongshen; Shi, Rongchao; Xu, Jialiang","Dielectric phase transition of an A<sub>2</sub>BX<sub>4</sub>-type perovskite with a pentahedral to octahedral transformation.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2218","2224","10.1039/c9dt04270a","","","1.34139","GaKα","","0.1512","0.1272","","","0.3062","0.3235","","","","","","1.071","","","","has coordinates,has disorder","248968","2020-10-21","18:00:00",""
"7703295","19.316","0.0019","8.2729","0.0008","17.4841","0.0017","90","","116.121","0.003","90","","2508.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H12 I3 N Pb -","- C5 H12 I3 N Pb -","- C40 H96 I24 N8 Pb8 -","8","2","","Chai, Siqian; Xiong, Jianbo; Zheng, Yongshen; Shi, Rongchao; Xu, Jialiang","Dielectric phase transition of an A<sub>2</sub>BX<sub>4</sub>-type perovskite with a pentahedral to octahedral transformation.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2218","2224","10.1039/c9dt04270a","","","0.71073","MoKα","","0.1159","0.1071","","","0.3232","0.3496","","","","","","1.038","","","","has coordinates","248968","2020-10-21","18:00:00",""
"7703296","22.4936","0.0008","23.8631","0.001","6.1802","0.0002","90","","90","","90","","3317.3","0.2","120","0.1","120","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H48 Cl8 N4 Pb2 -","- C20 H48 Cl8 N4 Pb2 -","- C80 H192 Cl32 N16 Pb8 -","4","0.5","","Chai, Siqian; Xiong, Jianbo; Zheng, Yongshen; Shi, Rongchao; Xu, Jialiang","Dielectric phase transition of an A<sub>2</sub>BX<sub>4</sub>-type perovskite with a pentahedral to octahedral transformation.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2218","2224","10.1039/c9dt04270a","","x-ray","0.71073","MoKα","","0.0323","0.0233","","","0.056","0.0586","","","","","","1.031","","","","has coordinates","248968","2020-10-21","18:00:00",""
"7703297","25.978","0.0009","26.928","0.0009","11.729","0.0005","90","","106.866","0.004","90","","7851.9","0.5","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H86 Cl4 N4 W2 -","- C64 H86 Cl4 N4 W2 -","- C256 H344 Cl16 N16 W8 -","4","0.5","","Noor, Awal; Qayyum, Sadaf; Schwarz, Stefan; Dietel, Thomas; Kempe, Rhett","Formation of a dimeric tungsten(i) complex via C-H activation.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1992","1996","10.1039/c9dt04847b","","","0.71069","MoKα","","0.1262","0.0521","","","0.103","0.1184","","","","","","0.706","","","","has coordinates","248945","2020-10-21","18:00:00",""
"7703298","14.969","0.0005","11.8","0.0004","23.307","0.0008","90","","92.463","0.003","90","","4113","0.2","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88 H110 K2 N4 W2 -","- C88 H110 K2 N4 W2 -","- C176 H220 K4 N8 W4 -","2","0.5","","Noor, Awal; Qayyum, Sadaf; Schwarz, Stefan; Dietel, Thomas; Kempe, Rhett","Formation of a dimeric tungsten(i) complex via C-H activation.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1992","1996","10.1039/c9dt04847b","","","0.71069","MoKα","","0.0689","0.0492","","","0.1218","0.1299","","","","","","1.036","","","","has coordinates","248945","2020-10-21","18:00:00",""
"7703299","13.358","0.005","24.83","0.005","17.125","0.005","90","0.005","93.678","0.005","90","0.005","5668","3","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C99.97 H156.95 K2 N8 O11.96 W2 -","- C99.97 H156.94 K2 N8 O11.96 W2 -","- C199.94 H313.88 K4 N16 O23.92 W4 -","2","1","","Noor, Awal; Qayyum, Sadaf; Schwarz, Stefan; Dietel, Thomas; Kempe, Rhett","Formation of a dimeric tungsten(i) complex via C-H activation.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1992","1996","10.1039/c9dt04847b","","","0.71069","MoKα","","0.1214","0.0858","","","0.2061","0.2335","","","","","","1.053","","","","has coordinates","248945","2020-10-21","18:00:00",""
"7703300","11.2439","0.0007","13.6597","0.0008","16.447","0.0012","90","","90","","90","","2526.1","0.3","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 Cd N8 O8 -","- C20 H30 Cd N8 O8 -","- C80 H120 Cd4 N32 O32 -","4","1","","Lugo-González, José Carlos; Gómez-Tagle, Paola; Flores-Alamo, Marcos; Yatsimirsky, Anatoly K.","Mechanistic study of carboxylic acid and phosphate ester cleavage by oximate metal complexes surpassing the limiting reactivity of highly basic free oximate anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2452","2467","10.1039/c9dt04733f","","","0.71073","MoKα","","0.0358","0.0313","","","0.0615","0.0646","","","","","","1.028","","","","has coordinates","248916","2020-10-21","18:00:00",""
"7703301","19.2128","0.0007","29.4172","0.0011","9.7806","0.0003","90","","90","","90","","5527.9","0.3","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C28 H28 I10 K2 N4 O8 Pb4 -","- C28 H28 I10 K2 N4 O8 Pb4 -","- C112 H112 I40 K8 N16 O32 Pb16 -","4","0.5","","Zhang, Bo; Sun, Hai-Yan; Li, Jun; Xu, Ya-Ru; Xu, Yu-Ping; Yang, Xue; Zou, Guo-Dong","Hybrid iodoplumbates with metal complexes: syntheses, crystal structures, band gaps and photoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1803","1810","10.1039/c9dt04756e","","","0.71073","MoKα","","0.0276","0.0257","","","0.0968","0.099","","","","","","1.005","","","","has coordinates","248946","2020-10-21","18:00:00",""
"7703302","22.0019","0.0015","17.1755","0.0012","24.1054","0.0014","90","","90","","90","","9109.3","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H27 Fe I6 N7 Pb2 -","- C38 H27 Fe I6 N7 Pb2 -","- C304 H216 Fe8 I48 N56 Pb16 -","8","1","","Zhang, Bo; Sun, Hai-Yan; Li, Jun; Xu, Ya-Ru; Xu, Yu-Ping; Yang, Xue; Zou, Guo-Dong","Hybrid iodoplumbates with metal complexes: syntheses, crystal structures, band gaps and photoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1803","1810","10.1039/c9dt04756e","","","1.54184","CuKα","","0.0869","0.0455","","","0.1082","0.1287","","","","","","1.043","","","","has coordinates,has disorder","248946","2020-10-21","18:00:00",""
"7703303","22.2907","0.0006","17.2834","0.0006","23.7873","0.0009","90","","90","","90","","9164.3","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H27 I6 N7 Ni Pb2 -","- C38 H27 I6 N7 Ni Pb2 -","- C304 H216 I48 N56 Ni8 Pb16 -","8","1","","Zhang, Bo; Sun, Hai-Yan; Li, Jun; Xu, Ya-Ru; Xu, Yu-Ping; Yang, Xue; Zou, Guo-Dong","Hybrid iodoplumbates with metal complexes: syntheses, crystal structures, band gaps and photoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1803","1810","10.1039/c9dt04756e","","","0.71073","MoKα","","0.1014","0.0549","","","0.0966","0.1144","","","","","","1.083","","","","has coordinates,has disorder","248946","2020-10-21","18:00:00",""
"7703304","22.4431","0.0012","17.4343","0.0008","23.4749","0.0014","90","","90","","90","","9185.3","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H27 Co I6 N7 Pb2 -","- C38 H27 Co I6 N7 Pb2 -","- C304 H216 Co8 I48 N56 Pb16 -","8","1","","Zhang, Bo; Sun, Hai-Yan; Li, Jun; Xu, Ya-Ru; Xu, Yu-Ping; Yang, Xue; Zou, Guo-Dong","Hybrid iodoplumbates with metal complexes: syntheses, crystal structures, band gaps and photoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1803","1810","10.1039/c9dt04756e","","","0.71073","MoKα","","0.0434","0.0317","","","0.075","0.0808","","","","","","1.056","","","","has coordinates,has disorder","248946","2020-10-21","18:00:00",""
"7703305","8.344","0.002","9.615","0.003","11.712","0.003","68.384","0.007","78.578","0.009","88.123","0.008","855.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N Pt S -","- C21 H19 N Pt S -","- C42 H38 N2 Pt2 S2 -","2","1","","Nabavizadeh, S. Masoud; Niroomand Hosseini, Fatemeh; Park, Chan; Wu, Guang; Abu-Omar, Mahdi M","Discovery and mechanistic investigation of Pt-catalyzed oxidative homocoupling of benzene with PhI(OAc)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2477","2486","10.1039/c9dt04261j","","","0.71073","MoKα","","0.0529","0.0389","","","0.0705","0.0754","","","","","","1.005","","","","has coordinates","248912","2020-10-21","18:00:00",""
"7703306","35.7408","0.0015","13.3259","0.0005","24.6081","0.001","90","","91.22","0.003","90","","11717.6","0.8","230","2","230","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C57 H58 Cl3 F6 Ni2 O P5 S2 -","- C57 H58 Cl3 F6 Ni2 O P5 S2 -","- C456 H464 Cl24 F48 Ni16 O8 P40 S16 -","8","1","","Sun, Puhua; Yang, Dawei; Li, Ying; Wang, Baomin; Qu, Jingping","A bioinspired thiolate-bridged dinickel complex with a pendant amine: synthesis, structure and electrocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2151","2158","10.1039/c9dt04493k","","","0.71073","MoKα","","0.0664","0.0461","","","0.0976","0.1069","","","","","","1.034","","","","has coordinates","248971","2020-10-21","18:00:00",""
"7703307","13.2896","0.0007","35.8764","0.0018","14.5814","0.0007","90","","97.5201","0.0011","90","","6892.4","0.6","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C64 H65 Cl4 F12 N Ni2 P6 S2 -","- C64 H65 Cl4 F12 N Ni2 P6 S2 -","- C256 H260 Cl16 F48 N4 Ni8 P24 S8 -","4","1","","Sun, Puhua; Yang, Dawei; Li, Ying; Wang, Baomin; Qu, Jingping","A bioinspired thiolate-bridged dinickel complex with a pendant amine: synthesis, structure and electrocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2151","2158","10.1039/c9dt04493k","","","0.71073","MoKα","","0.0604","0.0461","","","0.1065","0.1118","","","","","","1.03","","","","has coordinates,has disorder","248971","2020-10-21","18:00:00",""
"7703308","35.436","0.004","13.4228","0.0015","24.186","0.003","90","","91","","90","","11502","2","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H59 Cl F6 N Ni2 P5 S3 -","- C58 H59 Cl F6 N Ni2 P5 S3 -","- C464 H472 Cl8 F48 N8 Ni16 P40 S24 -","8","1","","Sun, Puhua; Yang, Dawei; Li, Ying; Wang, Baomin; Qu, Jingping","A bioinspired thiolate-bridged dinickel complex with a pendant amine: synthesis, structure and electrocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2151","2158","10.1039/c9dt04493k","","","0.71073","MoKα","","0.0658","0.0552","","","0.1575","0.1653","","","","","","1.01","","","","has coordinates","248971","2020-10-21","18:00:00",""
"7703309","28.1408","0.0018","13.9434","0.0009","25.579","0.0017","90","","106.097","0.002","90","","9643.1","1.1","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H96 B2 Ni2 P4 S3 -","- C104 H96 B2 Ni2 P4 S3 -","- C416 H384 B8 Ni8 P16 S12 -","4","1","","Sun, Puhua; Yang, Dawei; Li, Ying; Wang, Baomin; Qu, Jingping","A bioinspired thiolate-bridged dinickel complex with a pendant amine: synthesis, structure and electrocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2151","2158","10.1039/c9dt04493k","","","0.71073","MoKα","","0.0662","0.05","","","0.1158","0.1227","","","","","","1.042","","","","has coordinates","248971","2020-10-21","18:00:00",""
"7703310","11.159","0.003","22.849","0.006","23.684","0.007","111.619","0.011","97.083","0.012","91.352","0.013","5555","3","152","2","152","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H139 Cu9 N19 O27 P4 -","- C87 H139 Cu9 N19 O27 P4 -","- C174 H278 Cu18 N38 O54 P8 -","2","1","","Santra, Biswajit; Kalita, Pankaj; Chandra, Shubhadeep; Mandal, Debdeep; Kumar, Vierandra; Narayanan, Ramakirushnan Surya; Dey, Atanu; Chrysochos, Nicolas; Huch, Volker; Biswas, Sourav; Ghoshal, Debajyoti; Sañudo, E Carolina; Sarkar, Biprajit; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Molecular enneanuclear Cu<sup>II</sup> phosphates containing planar hexanuclear and trinuclear sub-units: syntheses, structures, and magnetism.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2527","2536","10.1039/c9dt04584h","","","0.71073","MoKα","","0.0602","0.044","","","0.1105","0.1216","","","","","","1.036","","","","has coordinates","248931","2020-10-21","18:00:00",""
"7703311","31.5291","0.0007","31.5291","0.0007","28.0882","0.001","90","","90","","120","","24181.2","1.1","150","2","150.01","0.1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C167 H167 Cu9 N15 O23 P4 -","- C132 H136 Cu9 N15 O23 P4 -","- C792 H816 Cu54 N90 O138 P24 -","6","0.333333","","Santra, Biswajit; Kalita, Pankaj; Chandra, Shubhadeep; Mandal, Debdeep; Kumar, Vierandra; Narayanan, Ramakirushnan Surya; Dey, Atanu; Chrysochos, Nicolas; Huch, Volker; Biswas, Sourav; Ghoshal, Debajyoti; Sañudo, E Carolina; Sarkar, Biprajit; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Molecular enneanuclear Cu<sup>II</sup> phosphates containing planar hexanuclear and trinuclear sub-units: syntheses, structures, and magnetism.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2527","2536","10.1039/c9dt04584h","","","0.71073","MoKα","","0.0589","0.044","","","0.0935","0.1002","","","","","","0.991","","","","has coordinates","248931","2020-10-21","18:00:00",""
"7703312","31.198","0.004","31.198","0.004","27.045","0.005","90","","90","","120","","22797","6","170","2","170","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C159 H150.67 Cu9 N15 O23 P4 -","- C126 H124 Cu9 N15 O23 P4 -","- C756 H744 Cu54 N90 O138 P24 -","6","0.333333","","Santra, Biswajit; Kalita, Pankaj; Chandra, Shubhadeep; Mandal, Debdeep; Kumar, Vierandra; Narayanan, Ramakirushnan Surya; Dey, Atanu; Chrysochos, Nicolas; Huch, Volker; Biswas, Sourav; Ghoshal, Debajyoti; Sañudo, E Carolina; Sarkar, Biprajit; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Molecular enneanuclear Cu<sup>II</sup> phosphates containing planar hexanuclear and trinuclear sub-units: syntheses, structures, and magnetism.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2527","2536","10.1039/c9dt04584h","","","0.71073","MoKα","","0.0541","0.0376","","","0.0821","0.0864","","","","","","0.889","","","","has coordinates","248931","2020-10-21","18:00:00",""
"7703313","31.38","0.004","31.38","0.004","27.242","0.005","90","","90","","120","","23231","6","170","2","170","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C163 H159 Cu9 N15 O23 P4 -","- C129 H130 Cu9 N15 O23 P4 -","- C774 H780 Cu54 N90 O138 P24 -","6","0.333333","","Santra, Biswajit; Kalita, Pankaj; Chandra, Shubhadeep; Mandal, Debdeep; Kumar, Vierandra; Narayanan, Ramakirushnan Surya; Dey, Atanu; Chrysochos, Nicolas; Huch, Volker; Biswas, Sourav; Ghoshal, Debajyoti; Sañudo, E Carolina; Sarkar, Biprajit; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Molecular enneanuclear Cu<sup>II</sup> phosphates containing planar hexanuclear and trinuclear sub-units: syntheses, structures, and magnetism.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2527","2536","10.1039/c9dt04584h","","","0.71073","MoKα","","0.0964","0.05","","","0.1025","0.1214","","","","","","0.825","","","","has coordinates","248931","2020-10-21","18:00:00",""
"7703314","9.3654","0.0002","9.3654","0.0002","6.8188","0.0001","90","","90","","120","","517.954","0.017","293","","293","","","","","","","","","4","P 63/m","-P 6c","176","","Dysprosium calcium silicate oxyapatite","","- Ca1.96 Dy8.04 O26 Si6 -","- Ca1.96 Dy8.04 O26 Si6 -","- Ca1.96 Dy8.04 O26 Si6 -","1","0.0833333","","Kazin, Pavel E.; Zykin, Mikhail A.; Trusov, Lev A.; Vasiliev, Alexander V.; Kremer, Reinhard K.; Dinnebier, Robert E.; Jansen, Martin","Multiple slow relaxation of magnetization in Dy<sup>3+</sup> confined in the crystal matrix of rare-earth-calcium silicates with the apatite structure.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","2014","2023","10.1039/c9dt04248b","powder diffraction","x-ray","1.5406","CuKalpha1","","0.0198","0.0175","","0.0207","0.0205","","","","1.43","","","","","","","has coordinates","248951","2020-10-21","18:00:00",""
"7703315","32.8559","0.0011","8.4989","0.0004","18.2283","0.0007","90","","96.996","0.0017","90","","5052.2","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[(3-Methyl-4-oxo-(1H-κN2-pyrazol-1-yl)-1,4-dihydronaphtalene-1,2-bis(olato)-κO1-κO2)(η6-p-cymene)ruthenium(II)]","","- C27 H32 N2 O5 Ru -","- C27 H32 N2 O5 Ru -","- C216 H256 N16 O40 Ru8 -","8","1","","Geisler, Heiko; Wernitznig, Debora; Hejl, Michaela; Gajic, Natalie; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Novel phthiocol-based organometallics with tridentate coordination motif and their unexpected cytotoxic behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1393","1397","10.1039/c9dt04462k","","x-ray","0.71073","MoKα","","0.0658","0.0478","","","0.113","0.1218","","","","","","1.048","","","","has coordinates","248932","2020-10-21","18:00:00",""
"7703316","9.6758","0.0002","14.2466","0.0003","17.8729","0.0004","71.6959","0.0013","84.0849","0.0014","72.7405","0.0013","2233.61","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","3-methyl-1-(4-methyl-1H-κN2-pyrazol-1-yl)-4-oxo-1,4-dihydronaphthalene-1,2-bis(olato)-κO1-κO2)(η6-p-cymene)ruthenium(II)","","- C25 H26 N2 O3 Ru -","- C25 H26 N2 O3 Ru -","- C100 H104 N8 O12 Ru4 -","4","2","","Geisler, Heiko; Wernitznig, Debora; Hejl, Michaela; Gajic, Natalie; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Novel phthiocol-based organometallics with tridentate coordination motif and their unexpected cytotoxic behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1393","1397","10.1039/c9dt04462k","","x-ray","1.54178","CuKα","","0.073","0.065","","","0.1663","0.1754","","","","","","1.058","","","","has coordinates","248932","2020-10-21","18:00:00",""
"7703317","16.369","0.0009","7.6784","0.0004","18.1186","0.001","90","","110.6","0.0013","90","","2131.7","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(3-Methyl-1-(4-methyl-1H-κN2-pyrazol-1-yl)-4-oxo-1,4-dihydronaphtalene-1,2-bis(olato)-κO1-κO2)(η6-p-cymene)osmium(II)]","","- C25 H26 N2 O3 Os -","- C25 H26 N2 O3 Os -","- C100 H104 N8 O12 Os4 -","4","1","","Geisler, Heiko; Wernitznig, Debora; Hejl, Michaela; Gajic, Natalie; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Novel phthiocol-based organometallics with tridentate coordination motif and their unexpected cytotoxic behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1393","1397","10.1039/c9dt04462k","","x-ray","1.54178","CuKα","","0.0301","0.0298","","","0.0794","0.0796","","","","","","1.11","","","","has coordinates","248932","2020-10-21","18:00:00",""
"7703318","11.441","0.0002","15.6073","0.0003","17.4184","0.0003","107.783","0.0007","99.4","0.0007","108.573","0.0006","2687.88","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","[(1-(1H-κN2-indazol-1-yl)-3-methyl-4-oxo-1,4-dihydronaphtalene-1,2-bis(olato)-κO1-κO2))(η6-p-cymene)ruthenium(II)]","","- C28.7 H27.75 N2 O3.17 Ru -","- C28.7 H27.75 N2 O3.175 Ru -","- C114.8 H111 N8 O12.7 Ru4 -","4","2","","Geisler, Heiko; Wernitznig, Debora; Hejl, Michaela; Gajic, Natalie; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Novel phthiocol-based organometallics with tridentate coordination motif and their unexpected cytotoxic behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1393","1397","10.1039/c9dt04462k","","x-ray","0.71073","MoKα","","0.0651","0.0455","","","0.0934","0.1049","","","","","","1.039","","","","has coordinates,has disorder","248932","2020-10-21","18:00:00",""
"7703319","10.9871","0.0009","9.5021","0.0007","27.626","0.002","90","","98.361","0.003","90","","2853.5","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(1-(6-amino-1H-κN2-indazol-1-yl)-3-methyl-4-oxo-1,4-dihydronaphtalene-1,2-bis(olato)-κO1-κO2))(η6-p-cymene)ruthenium(II)]","","- C28 H27 N3 O3 Ru -","- C28 H27 N3 O3 Ru -","- C112 H108 N12 O12 Ru4 -","4","1","","Geisler, Heiko; Wernitznig, Debora; Hejl, Michaela; Gajic, Natalie; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Novel phthiocol-based organometallics with tridentate coordination motif and their unexpected cytotoxic behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1393","1397","10.1039/c9dt04462k","","x-ray","1.54178","CuKα","","0.0979","0.0974","","","0.2269","0.2271","","","","","","1.244","","","","has coordinates","248932","2020-10-21","18:00:00",""
"7703320","11.8354","0.0006","14.6547","0.0007","12.6306","0.0006","90","","110.497","0.0015","90","","2052.02","0.17","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[(3-Methyl-4-oxo-(1H-κN2-pyrazol-1-yl)-1,4-dihydronaphtalene -1,2-bis(olato)-κO1-κO2)(η6-p-cymene)osmium(II)]","","- C24 H26 N2 O4 Os -","- C24 H26 N2 O4 Os -","- C96 H104 N8 O16 Os4 -","4","1","","Geisler, Heiko; Wernitznig, Debora; Hejl, Michaela; Gajic, Natalie; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Novel phthiocol-based organometallics with tridentate coordination motif and their unexpected cytotoxic behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1393","1397","10.1039/c9dt04462k","","x-ray","0.71073","MoKα","","0.0323","0.0306","","","0.0792","0.0803","","","","","","1.103","","","","has coordinates","248932","2020-10-21","18:00:00",""
"7703321","11.3136","0.0009","23.5155","0.0017","17.8647","0.0015","90","","102.414","0.003","90","","4641.7","0.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[(1-(4-amino-1H-κN2-pyrazol-1-yl)-3-methyl-4-oxo-1,4-dihydronaphtalene-1,2-bis(olato)-κO1-κO2))(η6-p-cymene)ruthenium(II)]","","- C24 H25 N3 O3 Ru -","- C24 H25 N3 O3 Ru -","- C192 H200 N24 O24 Ru8 -","8","2","","Geisler, Heiko; Wernitznig, Debora; Hejl, Michaela; Gajic, Natalie; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Novel phthiocol-based organometallics with tridentate coordination motif and their unexpected cytotoxic behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1393","1397","10.1039/c9dt04462k","","x-ray","0.71073","MoKα","","0.1232","0.0884","","","0.1915","0.2108","","","","","","1.07","","","","has coordinates,has disorder","248932","2020-10-21","18:00:00",""
"7703322","11.4724","0.0003","15.5715","0.0004","17.457","0.0005","107.688","0.001","99.3524","0.001","108.347","0.001","2702.77","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","[(1-(1H-κN2-indazol-1-yl)-3-methyl-4-oxo-1,4-dihydronaphtalene-1,2-bis(olato)-κO1-κO2))(η6-p-cymene)osmium(II)]","","- C28 H26 N2 O3 Os -","- C28 H26 N2 O3 Os -","- C112 H104 N8 O12 Os4 -","4","2","","Geisler, Heiko; Wernitznig, Debora; Hejl, Michaela; Gajic, Natalie; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Novel phthiocol-based organometallics with tridentate coordination motif and their unexpected cytotoxic behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1393","1397","10.1039/c9dt04462k","","x-ray","0.71073","MoKα","","0.0623","0.0509","","","0.1186","0.1242","","","","","","1.052","","","","has coordinates","248932","2020-10-21","18:00:00",""
"7703323","17.552","0.0015","14.0826","0.0009","18.308","0.0017","90","","90","","90","","4525.3","0.6","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(DIM)Fe(NO)2","","- C22 H28 Fe N4 O2 -","- C22 H28 Fe N4 O2 -","- C176 H224 Fe8 N32 O16 -","8","1","","Beagan, Daniel M.; Carta, Veronica; Caulton, Kenneth G.","A reagent for heteroatom borylation, including iron mediated reductive deoxygenation of nitrate yielding a dinitrosyl complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1681","1687","10.1039/d0dt00077a","","","0.71073","MoKα","","0.0986","0.0462","","","0.0832","0.0987","","","","","","1.005","","","","has coordinates","248943","2020-10-21","18:00:00",""
"7703324","17.0228","0.0004","11.6142","0.0004","15.9579","0.0005","90","","90","","90","","3154.98","0.16","173","","173","","","","","","","","","5","P c a 21","P 2c -2ac","29","","(DIM)Fe(NO3)2(MeCN)","","- C28 H37 Fe N7 O6 -","- C28 H37 Fe N7 O6 -","- C112 H148 Fe4 N28 O24 -","4","1","","Beagan, Daniel M.; Carta, Veronica; Caulton, Kenneth G.","A reagent for heteroatom borylation, including iron mediated reductive deoxygenation of nitrate yielding a dinitrosyl complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1681","1687","10.1039/d0dt00077a","","","0.71073","MoKα","","0.0323","0.0263","","","0.0643","0.0664","","","","","","1.044","","","","has coordinates","248943","2020-10-21","18:00:00",""
"7703325","6.5143","0.0006","10.6792","0.0009","16.5422","0.0014","90","","98.808","0.005","90","","1137.23","0.17","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Bpin)2bpy","","- C11 H16 B N O2 -","- C11 H16 B N O2 -","- C44 H64 B4 N4 O8 -","4","1","","Beagan, Daniel M.; Carta, Veronica; Caulton, Kenneth G.","A reagent for heteroatom borylation, including iron mediated reductive deoxygenation of nitrate yielding a dinitrosyl complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1681","1687","10.1039/d0dt00077a","","","0.71073","MoKα","","0.1102","0.055","","","0.141","0.1765","","","","","","1.016","","","","has coordinates","248943","2020-10-21","18:00:00",""
"7703326","14.5845","0.0014","22.502","0.002","23.913","0.002","90","","96.025","0.002","90","","7804.4","1.2","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H47 Co3 N5 O14 -","- C62 H47 Co3 N5 O14 -","- C248 H188 Co12 N20 O56 -","4","1","","Zhang, Xiuling; Zhang, Ran-Hui; Hu, Hui; Geng, Longlong; Zhang, Yong-Zheng; Gao, Jun; Zhang, Da-Shuai; Jin, Yao-Qiang; Sheng, Jianmin","Combining unsaturated metal sites and narrow pores within a Co(ii)-based MOF towards CO<sub>2</sub> separation and transformation.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2058","2062","10.1039/c9dt04736k","","","0.71073","MoKα","","0.089","0.0549","","","0.1514","0.1699","","","","","","1.003","","","","has coordinates","248963","2020-10-21","18:00:00",""
"7703327","8.8458","0.0015","6.0291","0.001","10.7271","0.0018","90","","104.815","0.017","90","","553.08","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 Ag N4 O2 -","- C3 H4 Ag N4 O2 -","- C12 H16 Ag4 N16 O8 -","4","1","","Cao, Senni; Ma, Xiufang; Ma, Xiaohui; Cen, Peipei; Wu, Yuewei; Yang, Jinhui; Liu, Xiangyu; Xie, Gang; Chen, Sanping","Modulating energetic performance through decorating nitrogen-rich ligands in high-energy MOFs.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2300","2307","10.1039/c9dt04803k","","","0.71073","MoKα","","0.0636","0.0562","","","0.1342","0.1397","","","","","","1.058","","","","has coordinates","248972","2020-10-21","18:00:00",""
"7703328","4.2779","0.0009","10.937","0.002","14.054","0.003","90","","105.837","0.008","90","","632.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 Ag N5 O2 -","- C3 H4 Ag N5 O2 -","- C12 H16 Ag4 N20 O8 -","4","1","","Cao, Senni; Ma, Xiufang; Ma, Xiaohui; Cen, Peipei; Wu, Yuewei; Yang, Jinhui; Liu, Xiangyu; Xie, Gang; Chen, Sanping","Modulating energetic performance through decorating nitrogen-rich ligands in high-energy MOFs.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2300","2307","10.1039/c9dt04803k","","","0.71073","MoKα","","0.1143","0.1073","","","0.2834","0.2886","","","","","","1.221","","","","has coordinates","248972","2020-10-21","18:00:00",""
"7703329","9.7705","0.0002","10.1541","0.0003","16.0919","0.0005","75.559","0.003","78.781","0.002","62.824","0.003","1369.33","0.08","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H28.6 Cl F3 N4 O6.3 Ru S -","- C23 H28.602 Cl F3 N4 O6.301 Ru S -","- C46 H57.204 Cl2 F6 N8 O12.602 Ru2 S2 -","2","1","","Olivares, Marta; Knörr, Pascal; Albrecht, Martin","Aerobic dehydrogenation of amines to nitriles catalyzed by triazolylidene ruthenium complexes with O<sub>2</sub> as terminal oxidant.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1981","1991","10.1039/c9dt04873a","","x-ray","0.71073","MoKα","","0.0292","0.026","","","0.0626","0.0649","","","","","","0.963","","","","has coordinates,has disorder","248954","2020-10-21","18:00:00",""
"7703330","12.45753","0.0001","28.13655","0.00018","7.85029","0.00006","90","","97.1456","0.0007","90","","2730.25","0.04","173","0.1","173","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C23 H28 Cl F3 N4 O6 Ru S -","- C23 H28 Cl F3 N4 O6 Ru S -","- C92 H112 Cl4 F12 N16 O24 Ru4 S4 -","4","2","","Olivares, Marta; Knörr, Pascal; Albrecht, Martin","Aerobic dehydrogenation of amines to nitriles catalyzed by triazolylidene ruthenium complexes with O<sub>2</sub> as terminal oxidant.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1981","1991","10.1039/c9dt04873a","","x-ray","0.71073","MoKα","","0.0363","0.0325","","","0.0791","0.0812","","","","","","1.041","","","","has coordinates,has disorder","248954","2020-10-21","18:00:00",""
"7703331","11.2395","0.0001","12.4783","0.0001","12.5536","0.0001","69.862","0.001","87.934","0.001","69.49","0.001","1541.05","0.03","173.01","0.1","173.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C21 H26 F6 N8 O6 Ru S2 -","- C21 H26 F6 N8 O6 Ru S2 -","- C42 H52 F12 N16 O12 Ru2 S4 -","2","1","","Olivares, Marta; Knörr, Pascal; Albrecht, Martin","Aerobic dehydrogenation of amines to nitriles catalyzed by triazolylidene ruthenium complexes with O<sub>2</sub> as terminal oxidant.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1981","1991","10.1039/c9dt04873a","","x-ray","1.54184","CuKα","","0.0478","0.047","","","0.1362","0.137","","","","","","1.069","","","","has coordinates,has disorder","248954","2020-10-21","18:00:00",""
"7703332","13.3854","0.0004","14.8258","0.0005","16.1157","0.0012","106.164","0.005","98.769","0.004","116.609","0.003","2599.4","0.3","173","0.1","173","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C42 H52 Cl2 F6 N8 O9 Ru2 S2 -","- C42 H52 Cl2 F6 N8 O9 Ru2 S2 -","- C84 H104 Cl4 F12 N16 O18 Ru4 S4 -","2","1","","Olivares, Marta; Knörr, Pascal; Albrecht, Martin","Aerobic dehydrogenation of amines to nitriles catalyzed by triazolylidene ruthenium complexes with O<sub>2</sub> as terminal oxidant.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1981","1991","10.1039/c9dt04873a","","x-ray","0.71073","MoKα","","0.1048","0.0706","","","0.1834","0.1956","","","","","","1.031","","","","has coordinates","248954","2020-10-21","18:00:00",""
"7703333","12.3971","0.001","14.4307","0.0011","14.4835","0.0011","99.742","0.004","106.683","0.004","106.122","0.004","2295.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H42 K2.69 N6 O27.48 V3 -","- C28 H41 K2.695 N6 O27.507 V3 -","- C56 H82 K5.39 N12 O55.014 V6 -","2","1","","Maurya, Mannar R.; Tomar, Reshu; Avecilla, Fernando; Ribeiro, Nádia; Carvalho, M Fernanda N N; Kuznetsov, Maxim L.; Correia, Isabel; Pessoa, João Costa","Trinuclear vanadium(iv) and vanadium(v) complexes derived from 2,4,6-triacetylphloroglucinol and study of their peroxidase mimicking activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2589","2609","10.1039/c9dt04415a","","","0.71073","MoKα","","0.0835","0.0678","","","0.1798","0.1909","","","","","","1.028","","","","has coordinates,has disorder","248923","2020-10-21","18:00:00",""
"7703334","17.6152","0.0005","22.3867","0.0007","24.772","0.0007","90","","110.089","0.001","90","","9174.4","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H38 Cs3 N6 O19 V3 -","- C33 H36 Cs3 N6 O19 V3 -","- C264 H288 Cs24 N48 O152 V24 -","8","1","","Maurya, Mannar R.; Tomar, Reshu; Avecilla, Fernando; Ribeiro, Nádia; Carvalho, M Fernanda N N; Kuznetsov, Maxim L.; Correia, Isabel; Pessoa, João Costa","Trinuclear vanadium(iv) and vanadium(v) complexes derived from 2,4,6-triacetylphloroglucinol and study of their peroxidase mimicking activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2589","2609","10.1039/c9dt04415a","","","0.71073","MoKα","","0.0483","0.0366","","","0.0891","0.0933","","","","","","1.056","","","","has coordinates","248923","2020-10-21","18:00:00",""
"7703335","11.9351","0.0007","12.7326","0.0007","16.2519","0.001","99.587","0.003","108.169","0.003","102.462","0.003","2217.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H35.24 Cs3.05 N9 O19.29 V3 -","- C30 H35.24 Cs3.048 N9 O19.283 V3 -","- C60 H70.48 Cs6.096 N18 O38.566 V6 -","2","1","","Maurya, Mannar R.; Tomar, Reshu; Avecilla, Fernando; Ribeiro, Nádia; Carvalho, M Fernanda N N; Kuznetsov, Maxim L.; Correia, Isabel; Pessoa, João Costa","Trinuclear vanadium(iv) and vanadium(v) complexes derived from 2,4,6-triacetylphloroglucinol and study of their peroxidase mimicking activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2589","2609","10.1039/c9dt04415a","","","0.71073","MoKα","","0.0514","0.0398","","","0.107","0.1132","","","","","","1.073","","","","has coordinates,has disorder","248923","2020-10-21","18:00:00",""
"7703336","20.3467","0.0003","13.1849","0.0003","4.90129","0.00008","90","","90","","90","","1314.87","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","1,2-azidoaniline","","- C6 H6 N4 -","- C6 H6 N4 -","- C48 H48 N32 -","8","1","","Dickie, Tara K. K.; MacNeil, Connor S.; Hayes, Paul G.","Consecutive N<sub>2</sub> loss from a uranium diphosphazide complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","578","582","10.1039/c9dt04517a","","x-ray","1.54184","CuKα","","0.0354","0.0341","","","0.0932","0.0943","","","","","","1.064","","","","has coordinates","247074","2020-10-21","18:00:00",""
"7703337","6.739","0.0004","20.3245","0.0011","5.2307","0.0003","90","","95.7","0.005","90","","712.89","0.07","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2-diazidobenzene","","- C6 H4 N6 -","- C6 H4 N6 -","- C24 H16 N24 -","4","1","","Dickie, Tara K. K.; MacNeil, Connor S.; Hayes, Paul G.","Consecutive N<sub>2</sub> loss from a uranium diphosphazide complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","578","582","10.1039/c9dt04517a","","x-ray","1.54184","CuKα","","0.0644","0.0552","","","0.1445","0.1537","","","","","","1.044","","","","has coordinates","247074","2020-10-21","18:00:00",""
"7703338","20.827","0.0003","11.842","0.0002","15.7786","0.0003","90","","90","","90","","3891.53","0.11","100.3","0.8","100","","","","","","","","","7","P c a 21","P 2c -2ac","29","","PN3PNUCl2","","- C42 H32 Cl2 N4 O2 P2 U -","- C42 H32 Cl2 N4 O2 P2 U -","- C168 H128 Cl8 N16 O8 P8 U4 -","4","1","","Dickie, Tara K. K.; MacNeil, Connor S.; Hayes, Paul G.","Consecutive N<sub>2</sub> loss from a uranium diphosphazide complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","578","582","10.1039/c9dt04517a","","","1.54184","CuKα","","0.0373","0.0336","","","0.0802","0.0817","","","","","","1.001","","","","has coordinates","247074","2020-10-21","18:00:00",""
"7703339","13.7944","0.0001","17.44271","0.00012","20.4207","0.00016","90","","94.9425","0.0007","90","","4895.19","0.06","100","0.13","100","0.13","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","P(N3)-P=N","","- C54 H45 Cl3 N4 O2 P2 U -","- C54 H45 Cl3 N4 O2 P2 U -","- C216 H180 Cl12 N16 O8 P8 U4 -","4","1","","Dickie, Tara K. K.; MacNeil, Connor S.; Hayes, Paul G.","Consecutive N<sub>2</sub> loss from a uranium diphosphazide complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","578","582","10.1039/c9dt04517a","","x-ray","1.54184","CuKα","","0.0301","0.0291","","","0.0792","0.08","","","","","","1.124","","","","has coordinates","247074","2020-10-21","18:00:00",""
"7703340","10.72961","0.00008","11.58355","0.00006","19.45445","0.00011","103.845","0.0005","95.7658","0.0006","102.839","0.0006","2258.64","0.03","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","Phosphazide-UCl2","","- C42 H32 Cl2 N6 O2 P2 U -","- C42 H32 Cl2 N6 O2 P2 U -","- C84 H64 Cl4 N12 O4 P4 U2 -","2","1","","Dickie, Tara K. K.; MacNeil, Connor S.; Hayes, Paul G.","Consecutive N<sub>2</sub> loss from a uranium diphosphazide complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","578","582","10.1039/c9dt04517a","","x-ray","1.54184","CuKα","","0.0236","0.0229","","","0.0549","0.0551","","","","","","1.111","","","","has coordinates","247074","2020-10-21","18:00:00",""
"7703341","19.191","0.002","16.3197","0.0018","14.8442","0.0016","90","","108.715","0.003","90","","4403.3","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H63 N4 O Sc Si2 -","- C43 H63 N4 O Sc Si2 -","- C172 H252 N16 O4 Sc4 Si8 -","4","1","","Gurina, G. A.; Kissel, A. A.; Lyubov, D. M.; Luconi, L.; Rossin, A.; Tuci, G.; Cherkasov, A. V.; Lyssenko, K. A.; Shavyrin, A. S.; Ob'edkov, A. M.; Giambastiani, G.; Trifonov, A. A.","Bis(alkyl) scandium and yttrium complexes coordinated by an amidopyridinate ligand: synthesis, characterization and catalytic performance in isoprene polymerization, hydroelementation and carbon dioxide hydrosilylation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","638","650","10.1039/c9dt04338a","","","0.71073","MoKα","","0.0876","0.0535","","","0.128","0.149","","","","","","1.01","","","","has coordinates,has disorder","247075","2020-10-21","18:00:00",""
"7703342","22.286","0.001","15.6506","0.0007","26.8173","0.0012","90","","90.918","0.001","90","","9352.4","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46.5 H67 N4 O Si2 Y -","- C46.5 H67 N4 O Si2 Y -","- C372 H536 N32 O8 Si16 Y8 -","8","1","","Gurina, G. A.; Kissel, A. A.; Lyubov, D. M.; Luconi, L.; Rossin, A.; Tuci, G.; Cherkasov, A. V.; Lyssenko, K. A.; Shavyrin, A. S.; Ob'edkov, A. M.; Giambastiani, G.; Trifonov, A. A.","Bis(alkyl) scandium and yttrium complexes coordinated by an amidopyridinate ligand: synthesis, characterization and catalytic performance in isoprene polymerization, hydroelementation and carbon dioxide hydrosilylation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","638","650","10.1039/c9dt04338a","","","0.71073","MoKα","","0.1029","0.059","","","0.12","0.1383","","","","","","1.056","","","","has coordinates,has disorder","247075","2020-10-21","18:00:00",""
"7703343","11.6694","0.0006","13.2058","0.0007","17.233","0.0009","112.225","0.001","104.719","0.001","91.704","0.001","2354.1","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H70 N4 O2 Si2 Y -","- C43 H70 N4 O2 Si2 Y -","- C86 H140 N8 O4 Si4 Y2 -","2","1","","Gurina, G. A.; Kissel, A. A.; Lyubov, D. M.; Luconi, L.; Rossin, A.; Tuci, G.; Cherkasov, A. V.; Lyssenko, K. A.; Shavyrin, A. S.; Ob'edkov, A. M.; Giambastiani, G.; Trifonov, A. A.","Bis(alkyl) scandium and yttrium complexes coordinated by an amidopyridinate ligand: synthesis, characterization and catalytic performance in isoprene polymerization, hydroelementation and carbon dioxide hydrosilylation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","638","650","10.1039/c9dt04338a","","","0.71073","MoKα","","0.0845","0.0474","","","0.0981","0.1101","","","","","","1.007","","","","has coordinates,has disorder","247075","2020-10-21","18:00:00",""
"7703344","10.2865","0.0012","19.567","0.002","7.0413","0.0008","90","","95.596","0.001","90","","1410.5","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O6 Pt -","- C12 H16 N2 O6 Pt -","- C48 H64 N8 O24 Pt4 -","4","1","","Ohno, Keiji; Komuro, Masaya; Sugaya, Tomoaki; Nagasawa, Akira; Fujihara, Takashi","Luminescence of mononuclear Pt(ii) complexes with glycolate: external stimuli-induced excimer emission changes to oligomer emissions.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1873","1882","10.1039/c9dt03996a","","","0.71073","MoKα","","0.0322","0.0216","","","0.0451","0.0493","","","","","","0.85","","","","has coordinates","248950","2020-10-21","18:00:00",""
"7703345","6.8059","0.0008","13.9533","0.0016","20.231","0.002","90","","90.907","0.001","90","","1921","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N2 O3 Pt -","- C20 H26 N2 O3 Pt -","- C80 H104 N8 O12 Pt4 -","4","1","","Ohno, Keiji; Komuro, Masaya; Sugaya, Tomoaki; Nagasawa, Akira; Fujihara, Takashi","Luminescence of mononuclear Pt(ii) complexes with glycolate: external stimuli-induced excimer emission changes to oligomer emissions.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1873","1882","10.1039/c9dt03996a","","","0.71073","MoKα","","0.0398","0.0296","","","0.0713","0.075","","","","","","1.042","","","","has coordinates","248950","2020-10-21","18:00:00",""
"7703346","7.511","0.0003","7.5446","0.0002","7.5819","0.0004","99.535","0.003","96.567","0.004","96.365","0.003","417.22","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Al H I6 K2 O18 -","- Al H I6 K2 O18 -","- Al H I6 K2 O18 -","1","0.5","","Zhang, Jian-Han; Wu, Qi; Lai, Wen-Zhong","A study of composition effects on the bandgaps in a series of new alkali metal aluminum/gallium iodates.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2337","2344","10.1039/d0dt00035c","","","0.71073","MoKα","","0.028","0.0262","","","0.0631","0.0638","","","","","","1.19","","","","has coordinates","248973","2020-10-21","18:00:00",""
"7703347","7.6423","0.0005","7.6595","0.0004","7.6941","0.0006","99.12","0.006","96.854","0.006","97.319","0.005","436.57","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Ga H I6 O18 Rb2 -","- Ga H I6 O18 Rb2 -","- Ga H I6 O18 Rb2 -","1","0.5","","Zhang, Jian-Han; Wu, Qi; Lai, Wen-Zhong","A study of composition effects on the bandgaps in a series of new alkali metal aluminum/gallium iodates.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2337","2344","10.1039/d0dt00035c","","x-ray","0.71073","MoKα","","0.0713","0.0642","","","0.1702","0.1744","","","","","","1.102","","","","has coordinates","248973","2020-10-21","18:00:00",""
"7703348","7.6096","0.0003","7.6494","0.0003","7.665","0.0003","99.143","0.003","96.684","0.003","97.015","0.003","432.99","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Al H I6 O18 Rb2 -","- Al H I6 O18 Rb2 -","- Al H I6 O18 Rb2 -","1","0.5","","Zhang, Jian-Han; Wu, Qi; Lai, Wen-Zhong","A study of composition effects on the bandgaps in a series of new alkali metal aluminum/gallium iodates.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2337","2344","10.1039/d0dt00035c","","x-ray","0.71073","MoKα","","0.0253","0.0229","","","0.0516","0.0523","","","","","","1.146","","","","has coordinates","248973","2020-10-21","18:00:00",""
"7703349","7.5447","0.0002","7.5684","0.0002","7.5962","0.0002","99.565","0.002","96.84","0.002","96.488","0.002","420.75","0.02","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Ga H I6 K2 O18 -","- Ga H I6 K2 O18 -","- Ga H I6 K2 O18 -","1","0.5","","Zhang, Jian-Han; Wu, Qi; Lai, Wen-Zhong","A study of composition effects on the bandgaps in a series of new alkali metal aluminum/gallium iodates.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2337","2344","10.1039/d0dt00035c","","x-ray","0.71073","MoKα","","0.0216","0.0194","","","0.0404","0.0412","","","","","","1.213","","","","has coordinates","248973","2020-10-21","18:00:00",""
"7703350","13.6395","0.0004","14.5011","0.0004","16.4868","0.0005","98.622","0.001","96.089","0.001","98.207","0.001","3163.83","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H58 Ni O4 P2 -","- C62 H58 Ni O4 P2 -","- C124 H116 Ni2 O8 P4 -","2","1","","Zhang, Yue; Zhang, Yixin; Chi, Yue; Jian, Zhongbao","Influence of initiating groups on phosphino-phenolate nickel catalyzed ethylene (co)polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2636","2644","10.1039/c9dt04482e","","","","CuKα","","0.0815","0.0719","","","0.1812","0.1898","","","","","","1.053","","","","has coordinates","248915","2020-10-21","18:00:00",""
"7703351","15.8751","0.0006","10.53178","0.00032","10.5672","0.0004","90","","90","","90","","1766.76","0.11","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Ho10 Mo2 O21 -","- Ho10 Mo2 O21 -","- Ho40 Mo8 O84 -","4","0.5","","Shlyakhtina, A. V.; Avdeev, M.; Lyskov, N. V.; Abrantes, J. C. C.; Gomes, E.; Denisova, K. N.; Kolbanev, I. V.; Chernyak, S. A.; Volkova, O. S.; Vasiliev, A. N.","Structure, conductivity and magnetism of orthorhombic and fluorite polymorphs in MoO<sub>3</sub>-Ln<sub>2</sub>O<sub>3</sub> (Ln = Gd, Dy, Ho) systems.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2833","2842","10.1039/c9dt04724g","powder diffraction","","","","","","","","","","","","","1.16","","","","","","","has coordinates","248979","2020-10-21","18:00:00",""
"7703352","10.3185","0.0003","16.0985","0.0005","16.1412","0.0005","118.099","0.002","96","0.002","92.008","0.002","2341.39","0.13","150.15","","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H47 Br2 N14 O14 Yb -","- C38 H47 Br2 N14 O14 Yb -","- C76 H94 Br4 N28 O28 Yb2 -","2","1","","Peewasan, Krisana; Merkel, Marcel P.; Fuhr, Olaf; Powell, Annie K.","A designed and potentially decadentate ligand for use in lanthanide(iii) catalysed biomass transformations: targeting diastereoselective trans-4,5-diaminocyclopentenone derivatives.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2331","2336","10.1039/d0dt00183j","","x-ray","1.54186","CuKα","","0.0639","0.0601","","","0.1546","0.1604","","","","","","1.066","","","","has coordinates","248961","2020-10-21","18:00:00",""
"7703353","12.9343","0.0001","12.9343","0.0001","46.4828","0.0006","90","","90","","120","","6734.55","0.11","150.15","","150.15","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C40 H43 Br2 N16 O11 Y -","- C40 H43 Br2 N16 O11 Y -","- C240 H258 Br12 N96 O66 Y6 -","6","0.5","","Peewasan, Krisana; Merkel, Marcel P.; Fuhr, Olaf; Powell, Annie K.","A designed and potentially decadentate ligand for use in lanthanide(iii) catalysed biomass transformations: targeting diastereoselective trans-4,5-diaminocyclopentenone derivatives.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2331","2336","10.1039/d0dt00183j","","x-ray","1.34143","GaKα","","0.0268","0.0266","","","0.0758","0.076","","","","","","1.063","","","","has coordinates,has disorder","248961","2020-10-21","18:00:00",""
"7703354","13.0011","0.0001","13.0011","0.0001","46.6691","0.0004","90","","90","","120","","6831.57","0.09","150.15","","150.15","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C40 H43 Br2 N16 O11 Sm -","- C40 H43 Br2 N16 O11 Sm -","- C240 H258 Br12 N96 O66 Sm6 -","6","0.5","","Peewasan, Krisana; Merkel, Marcel P.; Fuhr, Olaf; Powell, Annie K.","A designed and potentially decadentate ligand for use in lanthanide(iii) catalysed biomass transformations: targeting diastereoselective trans-4,5-diaminocyclopentenone derivatives.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2331","2336","10.1039/d0dt00183j","","x-ray","1.34143","GaKα","","0.0242","0.0235","","","0.0649","0.0655","","","","","","1.068","","","","has coordinates,has disorder","248961","2020-10-21","18:00:00",""
"7703355","12.4509","0.0003","18.161","0.0004","21.2663","0.0006","90","","93.752","0.002","90","","4798.4","0.2","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 Br2 Er N13 O12 -","- C34 H36 Br2 Er N13 O12 -","- C136 H144 Br8 Er4 N52 O48 -","4","1","","Peewasan, Krisana; Merkel, Marcel P.; Fuhr, Olaf; Powell, Annie K.","A designed and potentially decadentate ligand for use in lanthanide(iii) catalysed biomass transformations: targeting diastereoselective trans-4,5-diaminocyclopentenone derivatives.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2331","2336","10.1039/d0dt00183j","","x-ray","1.34143","GaKα","","0.0636","0.0534","","","0.1596","0.1651","","","","","","1.065","","","","has coordinates","248961","2020-10-21","18:00:00",""
"7703356","13.615","0.0014","13.6873","0.0013","14.1064","0.0017","74.228","0.003","84.884","0.004","62.691","0.003","2245.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H94 Cl2 O36 P2 Tb2 Ti6 -","- C78 H94 Cl2 O36 P2 Tb2 Ti6 -","- C78 H94 Cl2 O36 P2 Tb2 Ti6 -","1","0.5","","Zhang, Kai; Lin, Ping; Du, Shao-Wu","Facile and scalable synthesis of Ti<sub>6</sub>Mn<sub>2</sub> oxo-cluster nanocrystals with flower-like morphology and excellent photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2444","2451","10.1039/c9dt04886c","","","0.71073","MoKα","","0.0321","0.0285","","","0.0679","0.0698","","","","","","1.09","","","","has coordinates","248911","2020-10-21","18:00:00",""
"7703357","12.454","0.005","22.161","0.008","14.561","0.006","90","","104.66","0.01","90","","3888","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 Mn O17 P Ti3 -","- C33 H33 Mn O17 P Ti3 -","- C132 H132 Mn4 O68 P4 Ti12 -","4","1","","Zhang, Kai; Lin, Ping; Du, Shao-Wu","Facile and scalable synthesis of Ti<sub>6</sub>Mn<sub>2</sub> oxo-cluster nanocrystals with flower-like morphology and excellent photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2444","2451","10.1039/c9dt04886c","","","0.71073","MoKα","","0.0813","0.0703","","","0.1577","0.1679","","","","","","1.28","","","","has coordinates,has disorder","248911","2020-10-21","18:00:00",""
"7703358","31.7219","0.0012","31.7219","0.0012","15.9319","0.0007","90","","90","","90","","16031.9","1.1","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C66 H70 O36 P2 Ti6 Zn2 -","- C66 H70 O36 P2 Ti6 Zn2 -","- C528 H560 O288 P16 Ti48 Zn16 -","8","0.5","","Zhang, Kai; Lin, Ping; Du, Shao-Wu","Facile and scalable synthesis of Ti<sub>6</sub>Mn<sub>2</sub> oxo-cluster nanocrystals with flower-like morphology and excellent photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2444","2451","10.1039/c9dt04886c","","","0.71073","MoKα","","0.0777","0.0734","","","0.1973","0.2005","","","","","","1.171","","","","has coordinates,has disorder","248911","2020-10-21","18:00:00",""
"7703359","7.1309","0.0004","13.7333","0.0008","21.9704","0.001","90","","90","","90","","2151.6","0.2","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Au F5 N Si -","- C21 H23 Au F5 N Si -","- C84 H92 Au4 F20 N4 Si4 -","4","1","","Seki, Tomohiro; Toyoshima, Naoki; Ito, Hajime","Mixed crystal formation of two gold isocyanide complexes with various ratios for continuous tuning of photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2073","2076","10.1039/d0dt00195c","","x-ray","0.71073","MoKα","","0.0297","0.0268","","","0.0575","0.0581","","","","","","1.008","","","","has coordinates","248962","2020-10-21","18:00:00",""
"7703360","7.151","0.0003","13.6446","0.0007","21.9432","0.0009","90","","90","","90","","2141.05","0.17","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H46 Au2 F9 N3 Si2 -","- C41 H46 Au2 F9 N3 Si2 -","- C82 H92 Au4 F18 N6 Si4 -","2","0.5","","Seki, Tomohiro; Toyoshima, Naoki; Ito, Hajime","Mixed crystal formation of two gold isocyanide complexes with various ratios for continuous tuning of photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2073","2076","10.1039/d0dt00195c","","x-ray","0.71073","MoKα","","0.0274","0.0247","","","0.0529","0.0535","","","","","","1.049","","","","has coordinates,has disorder","248962","2020-10-21","18:00:00",""
"7703361","7.2041","0.0001","13.5498","0.0002","21.864","0.0003","90","","90","","90","","2134.23","0.05","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Au F4 N2 Si -","- C20 H23 Au F4 N2 Si -","- C80 H92 Au4 F16 N8 Si4 -","4","1","","Seki, Tomohiro; Toyoshima, Naoki; Ito, Hajime","Mixed crystal formation of two gold isocyanide complexes with various ratios for continuous tuning of photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2073","2076","10.1039/d0dt00195c","","x-ray","1.54184","CuKα","","0.0345","0.034","","","0.085","0.0855","","","","","","1.065","","","","has coordinates","248962","2020-10-21","18:00:00",""
"7703362","10.60811","0.00017","7.66072","0.00012","16.1437","0.0003","90","","90","","90","","1311.93","0.04","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cs2 Ge2 O14 U3 -","- Cs2 Ge2 O14 U3 -","- Cs8 Ge8 O56 U12 -","4","0.5","","Li, Haijian; Kegler, Philip; Alekseev, Evgeny V.","Crystal growth of novel 3D skeleton uranyl germanium complexes: influence of synthetic conditions on crystal structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2244","2257","10.1039/c9dt04750f","","","0.71073","MoKα","","0.0205","0.0186","","","0.0451","0.0457","","","","","","1.085","","","","has coordinates","248970","2020-10-21","18:00:00",""
"7703363","7.4797","0.0004","9.9013","0.0006","10.1327","0.0007","70.179","0.006","89.046","0.005","86.24","0.005","704.43","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ge4 O20.5 Rb6 U3 -","- Ge4 O20.5 Rb6 U3 -","- Ge4 O20.5 Rb6 U3 -","1","0.5","","Li, Haijian; Kegler, Philip; Alekseev, Evgeny V.","Crystal growth of novel 3D skeleton uranyl germanium complexes: influence of synthetic conditions on crystal structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2244","2257","10.1039/c9dt04750f","","","0.71073","MoKα","","0.1119","0.0591","","","0.1383","0.148","","","","","","0.927","","","","has coordinates","248970","2020-10-21","18:00:00",""
"7703364","7.45","0.0003","7.8701","0.0003","14.7132","0.0006","91.077","0.003","96.005","0.003","117.601","0.004","758.08","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Cs6 Ge8 O25 U2 -","- Cs6 Ge8 O25 U2 -","- Cs6 Ge8 O25 U2 -","1","0.5","","Li, Haijian; Kegler, Philip; Alekseev, Evgeny V.","Crystal growth of novel 3D skeleton uranyl germanium complexes: influence of synthetic conditions on crystal structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2244","2257","10.1039/c9dt04750f","","","0.71073","MoKα","","0.041","0.0348","","","0.078","0.0816","","","","","","1.021","","","","has coordinates","248970","2020-10-21","18:00:00",""
"7703365","7.3647","0.0003","9.7768","0.0006","9.9186","0.0005","70.779","0.005","89.613","0.004","87.291","0.004","673.58","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Br F Ge4 K8 O20 U3 -","- Br F Ge4 K8 O20 U3 -","- Br F Ge4 K8 O20 U3 -","1","0.5","","Li, Haijian; Kegler, Philip; Alekseev, Evgeny V.","Crystal growth of novel 3D skeleton uranyl germanium complexes: influence of synthetic conditions on crystal structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2244","2257","10.1039/c9dt04750f","","","0.71073","MoKα","","0.1251","0.0757","","","0.2056","0.2193","","","","","","1.074","","","","has coordinates","248970","2020-10-21","18:00:00",""
"7703366","10.288","0.0004","7.6612","0.0002","16.1444","0.0005","90","","90","","90","","1272.48","0.07","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ge2 O14 Rb2 U3 -","- Ge2 O14 Rb2 U3 -","- Ge8 O56 Rb8 U12 -","4","0.5","","Li, Haijian; Kegler, Philip; Alekseev, Evgeny V.","Crystal growth of novel 3D skeleton uranyl germanium complexes: influence of synthetic conditions on crystal structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2244","2257","10.1039/c9dt04750f","","","0.71073","MoKα","","0.0257","0.0189","","","0.0358","0.0374","","","","","","1.015","","","","has coordinates","248970","2020-10-21","18:00:00",""
"7703367","41.409","0.004","18.5246","0.0018","37.892","0.004","90","","122.16","0.002","90","","24607","4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C164 H192 Ag12 F72 N64 P12 -","- C164 H191 Ag12 F71 N64 P12 -","- C656 H764 Ag48 F284 N256 P48 -","4","0.5","","Chen, Chao; Zhou, Liqian; Xie, Binbin; Wang, Yuchen; Ren, Lulu; Chen, Xiaona; Cen, Beini; Lv, He; Wang, Hangxiang","Novel fast-acting pyrazole/pyridine-functionalized N-heterocyclic carbene silver complexes assembled with nanoparticles show enhanced safety and efficacy as anticancer therapeutics.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2505","2516","10.1039/c9dt04751d","","","0.71073","MoKα","","0.1165","0.0851","","","0.2198","0.2415","","","","","","1.096","","","","has coordinates","248929","2020-10-21","18:00:00",""
"7703368","18.895","0.0009","23.5495","0.0009","15.6257","0.0007","90","","93.532","0.005","90","","6939.7","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H67 Ag3 F18 N17 O P3 -","- C53 H67 Ag3 F18 N17 O P3 -","- C212 H268 Ag12 F72 N68 O4 P12 -","4","0.5","","Chen, Chao; Zhou, Liqian; Xie, Binbin; Wang, Yuchen; Ren, Lulu; Chen, Xiaona; Cen, Beini; Lv, He; Wang, Hangxiang","Novel fast-acting pyrazole/pyridine-functionalized N-heterocyclic carbene silver complexes assembled with nanoparticles show enhanced safety and efficacy as anticancer therapeutics.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2505","2516","10.1039/c9dt04751d","","","0.71073","MoKα","","0.0821","0.0503","","","0.1216","0.1491","","","","","","1.018","","","","has coordinates,has disorder","248929","2020-10-21","18:00:00",""
"7703369","25.685","0.015","21.237","0.013","19.52","0.02","90","","124.195","0.007","90","","8807","12","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H72 Ag4 F30 N20 P4 -","- C60 H72 Ag4 F30 N20 P4 -","- C240 H288 Ag16 F120 N80 P16 -","4","0.5","","Chen, Chao; Zhou, Liqian; Xie, Binbin; Wang, Yuchen; Ren, Lulu; Chen, Xiaona; Cen, Beini; Lv, He; Wang, Hangxiang","Novel fast-acting pyrazole/pyridine-functionalized N-heterocyclic carbene silver complexes assembled with nanoparticles show enhanced safety and efficacy as anticancer therapeutics.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2505","2516","10.1039/c9dt04751d","","","0.71073","MoKα","","0.091","0.0746","","","0.2073","0.2318","","","","","","1.044","","","","has coordinates","248929","2020-10-21","18:00:00",""
"7703370","13.876","0.008","25.304","0.014","15.283","0.008","90","","105.803","0.01","90","","5163","5","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C75 H75 Ag6 F36 N21 O3 P6 -","- C75 H75 Ag6 F36 N21 O3 P6 -","- C150 H150 Ag12 F72 N42 O6 P12 -","2","1","","Chen, Chao; Zhou, Liqian; Xie, Binbin; Wang, Yuchen; Ren, Lulu; Chen, Xiaona; Cen, Beini; Lv, He; Wang, Hangxiang","Novel fast-acting pyrazole/pyridine-functionalized N-heterocyclic carbene silver complexes assembled with nanoparticles show enhanced safety and efficacy as anticancer therapeutics.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2505","2516","10.1039/c9dt04751d","","","0.71073","MoKα","","0.0853","0.062","","","0.1506","0.1738","","","","","","1.033","","","","has coordinates","248929","2020-10-21","18:00:00",""
"7703371","6.6665","0.0002","11.1479","0.0002","13.8916","0.0003","101.979","0.002","100.011","0.002","95.717","0.002","984.61","0.04","100.03","0.1","100.03","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C5 H12 Cl8 S4 W2 -","- C5 H12 Cl8 S4 W2 -","- C10 H24 Cl16 S8 W4 -","2","1","","Smith, Danielle E.; Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Reid, Gillian; Robinson, Fred; Thomas, Shibin","Thioether complexes of WSCl<sub>4</sub>, WOCl<sub>4</sub> and WSCl<sub>3</sub> and evaluation of thiochloride complexes as CVD precursors for WS<sub>2</sub> thin films.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2496","2504","10.1039/d0dt00068j","","x-ray","0.71073","MoKα","","0.058","0.0495","","","0.1182","0.1279","","","","","","1.177","","","","has coordinates","248909","2020-10-21","18:00:00",""
"7703372","6.7317","0.0003","6.9581","0.0003","7.1904","0.0003","108.981","0.004","98.845","0.004","114.33","0.004","273.54","0.03","100.01","0.1","100.01","0.1","","","","","","","","6","P 1","P 1","1","","","","- C4 H10 Cl3 O S2 W -","- C4 H10 Cl3 O S2 W -","- C4 H10 Cl3 O S2 W -","1","1","","Smith, Danielle E.; Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Reid, Gillian; Robinson, Fred; Thomas, Shibin","Thioether complexes of WSCl<sub>4</sub>, WOCl<sub>4</sub> and WSCl<sub>3</sub> and evaluation of thiochloride complexes as CVD precursors for WS<sub>2</sub> thin films.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2496","2504","10.1039/d0dt00068j","","x-ray","0.71073","MoKα","","0.046","0.0452","","","0.1039","0.1045","","","","","","1.041","","","","has coordinates","248909","2020-10-21","18:00:00",""
"7703373","10.579","0.0002","13.9272","0.0003","17.2182","0.0004","90","","96.368","0.002","90","","2521.21","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl8 S4 W2 -","- C14 H14 Cl8 S4 W2 -","- C56 H56 Cl32 S16 W8 -","4","1","","Smith, Danielle E.; Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Reid, Gillian; Robinson, Fred; Thomas, Shibin","Thioether complexes of WSCl<sub>4</sub>, WOCl<sub>4</sub> and WSCl<sub>3</sub> and evaluation of thiochloride complexes as CVD precursors for WS<sub>2</sub> thin films.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2496","2504","10.1039/d0dt00068j","","x-ray","0.71073","MoKα","","0.0625","0.042","","","0.0711","0.0816","","","","","","0.968","","","","has coordinates","248909","2020-10-21","18:00:00",""
"7703374","6.7576","0.0004","7.3941","0.0004","12.42","0.0005","78.514","0.004","81.724","0.004","72.508","0.005","577.68","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C5 H12 Cl3 O S2 W -","- C5 H12 Cl3 O S2 W -","- C10 H24 Cl6 O2 S4 W2 -","2","1","","Smith, Danielle E.; Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Reid, Gillian; Robinson, Fred; Thomas, Shibin","Thioether complexes of WSCl<sub>4</sub>, WOCl<sub>4</sub> and WSCl<sub>3</sub> and evaluation of thiochloride complexes as CVD precursors for WS<sub>2</sub> thin films.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2496","2504","10.1039/d0dt00068j","","x-ray","0.71073","MoKα","","0.0558","0.05","","","0.1168","0.1207","","","","","","1.097","","","","has coordinates","248909","2020-10-21","18:00:00",""
"7703375","7.6849","0.0002","10.5079","0.0003","11.824","0.0004","90","","91.882","0.003","90","","954.3","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Cl8 S4 W2 -","- C4 H10 Cl8 S4 W2 -","- C8 H20 Cl16 S8 W4 -","2","0.5","","Smith, Danielle E.; Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Reid, Gillian; Robinson, Fred; Thomas, Shibin","Thioether complexes of WSCl<sub>4</sub>, WOCl<sub>4</sub> and WSCl<sub>3</sub> and evaluation of thiochloride complexes as CVD precursors for WS<sub>2</sub> thin films.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2496","2504","10.1039/d0dt00068j","","x-ray","0.71073","MoKα","","0.0597","0.0572","","","0.1476","0.1519","","","","","","1.113","","","","has coordinates","248909","2020-10-21","18:00:00",""
"7703376","10.7903","0.0002","8.8971","0.0001","12.1898","0.0002","90","","106.732","0.002","90","","1120.7","0.03","99.97","0.13","99.97","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Cl8 S4 W2 -","- C8 H18 Cl8 S4 W2 -","- C16 H36 Cl16 S8 W4 -","2","0.5","","Smith, Danielle E.; Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Reid, Gillian; Robinson, Fred; Thomas, Shibin","Thioether complexes of WSCl<sub>4</sub>, WOCl<sub>4</sub> and WSCl<sub>3</sub> and evaluation of thiochloride complexes as CVD precursors for WS<sub>2</sub> thin films.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2496","2504","10.1039/d0dt00068j","","x-ray","0.71073","MoKα","","0.0413","0.0391","","","0.0869","0.0884","","","","","","1.18","","","","has coordinates","248909","2020-10-21","18:00:00",""
"7703377","6.8758","0.0001","13.2588","0.0002","12.5782","0.0002","90","","94.541","0.002","90","","1143.09","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 Cl3 S3 W -","- C4 H10 Cl3 S3 W -","- C16 H40 Cl12 S12 W4 -","4","1","","Smith, Danielle E.; Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Reid, Gillian; Robinson, Fred; Thomas, Shibin","Thioether complexes of WSCl<sub>4</sub>, WOCl<sub>4</sub> and WSCl<sub>3</sub> and evaluation of thiochloride complexes as CVD precursors for WS<sub>2</sub> thin films.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2496","2504","10.1039/d0dt00068j","","x-ray","0.71073","MoKα","","0.0432","0.0391","","","0.0748","0.0763","","","","","","1.085","","","","has coordinates,has disorder","248909","2020-10-21","18:00:00",""
"7703378","14.6494","0.0008","17.8655","0.0009","20.9791","0.0011","90","","100.535","0.0016","90","","5398.1","0.5","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 Ga N4 O11 -","- C28 H21 Ga N4 O11 -","- C224 H168 Ga8 N32 O88 -","8","2","","Halevas, Eleftherios; Mavroidi, Barbara; Antonoglou, Orestis; Hatzidimitriou, Antonios; Sagnou, Marina; Pantazaki, Anastasia A.; Litsardakis, George; Pelecanou, Maria","Structurally characterized gallium-chrysin complexes with anticancer potential.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2734","2746","10.1039/c9dt04540f","","","0.71073","MoKα","","0.0511","0.0356","","0.0508","0.0465","0.0465","","","","","","0.9998","","","","has coordinates","248919","2020-10-21","18:00:00",""
"7703379","12.7573","0.0014","14.3437","0.0016","14.3865","0.0017","64.532","0.005","85.398","0.006","76.28","0.005","2308.2","0.5","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H39 Ga N6 O15 -","- C51 H39 Ga N6 O15 -","- C102 H78 Ga2 N12 O30 -","2","1","","Halevas, Eleftherios; Mavroidi, Barbara; Antonoglou, Orestis; Hatzidimitriou, Antonios; Sagnou, Marina; Pantazaki, Anastasia A.; Litsardakis, George; Pelecanou, Maria","Structurally characterized gallium-chrysin complexes with anticancer potential.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2734","2746","10.1039/c9dt04540f","","","0.71073","MoKα","","0.0832","0.0657","","0.0959","0.0912","0.0912","","","","","","0.9992","","","","has coordinates","248919","2020-10-21","18:00:00",""
"7703380","11.6736","0.001","12.6245","0.0009","14.172","0.0009","79.674","0.003","67.102","0.003","87.197","0.004","1892.3","0.2","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C37.5 H34 Ga N5 O13.5 -","- C37.5 H34 Ga N5 O13.5 -","- C75 H68 Ga2 N10 O27 -","2","1","","Halevas, Eleftherios; Mavroidi, Barbara; Antonoglou, Orestis; Hatzidimitriou, Antonios; Sagnou, Marina; Pantazaki, Anastasia A.; Litsardakis, George; Pelecanou, Maria","Structurally characterized gallium-chrysin complexes with anticancer potential.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2734","2746","10.1039/c9dt04540f","","","0.71073","MoKα","","0.0729","0.0566","","0.1135","0.1016","0.1016","","","","","","1","","","","has coordinates","248919","2020-10-21","18:00:00",""
"7703381","10.71","0.002","17.59","0.004","11.29","0.002","90","","90","","90","","2126.9","0.7","263","2","263","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","NibpyfcdHp","","- C21 H22 Fe N2 Ni O5 P2 -","- C21 H22 Fe N2 Ni O5 P2 -","- C84 H88 Fe4 N8 Ni4 O20 P8 -","4","0.5","","Khrizanforova, Vera; Shekurov, Ruslan; Miluykov, Vasily; Khrizanforov, Mikhail; Bon, Volodymyr; Kaskel, Stefan; Gubaidullin, Aidar; Sinyashin, Oleg; Budnikova, Yulia","3D Ni and Co redox-active metal-organic frameworks based on ferrocenyl diphosphinate and 4,4'-bipyridine ligands as efficient electrocatalysts for the hydrogen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2794","2802","10.1039/c9dt04834k","","","0.88556","synchrotron","","0.0542","0.0426","","","0.1078","0.123","","","","","","1.234","","","","has coordinates,has disorder","248980","2020-10-21","18:00:00",""
"7703382","9.3675","0.0002","9.478","0.0002","15.8705","0.0003","100.326","0.002","92.661","0.002","99.07","0.002","1364.86","0.05","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26 N4 O6 Tb -","- C29 H29 N4 O6 Tb -","- C58 H58 N8 O12 Tb2 -","2","1","","Kitagawa, Yuichi; Kumagai, Marina; Nakanishi, Takayuki; Fushimi, Koji; Hasegawa, Yasuchika","First aggregation-induced emission of a Tb(iii) luminophore based on modulation of ligand-ligand charge transfer bands.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2431","2436","10.1039/d0dt00094a","","x-ray","0.71073","MoKα","","0.0252","0.0242","","","0.0858","0.0895","","","","","","0.793","","","","has coordinates","248913","2020-10-21","18:00:00",""
"7703383","10.9111","0.0002","12.2969","0.0002","19.3981","0.0003","104.16","0.002","93.82","0.002","110.125","0.002","2336.81","0.08","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H62 N4 O6 Tb -","- C47 H65 N4 O6 Tb -","- C94 H130 N8 O12 Tb2 -","2","1","","Kitagawa, Yuichi; Kumagai, Marina; Nakanishi, Takayuki; Fushimi, Koji; Hasegawa, Yasuchika","First aggregation-induced emission of a Tb(iii) luminophore based on modulation of ligand-ligand charge transfer bands.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2431","2436","10.1039/d0dt00094a","","x-ray","0.71073","MoKα","","0.0289","0.0244","","","0.0847","0.0946","","","","","","0.834","","","","has coordinates","248913","2020-10-21","18:00:00",""
"7703384","14.962","0.002","17.893","0.004","23.016","0.005","90","","95.821","0.015","90","","6130","2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C29 H29 Gd N4 O6 -","- C29 H29 Gd N4 O6 -","- C232 H232 Gd8 N32 O48 -","8","1","","Kitagawa, Yuichi; Kumagai, Marina; Nakanishi, Takayuki; Fushimi, Koji; Hasegawa, Yasuchika","First aggregation-induced emission of a Tb(iii) luminophore based on modulation of ligand-ligand charge transfer bands.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2431","2436","10.1039/d0dt00094a","","x-ray","0.71073","MoKα","","0.1902","0.078","","","0.1285","0.1576","","","","","","0.906","","","","has coordinates","248913","2020-10-21","18:00:00",""
"7703385","13.4029","0.0002","15.2786","0.0002","26.4644","0.0004","90","","91.693","0.001","90","","5416.95","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H65 Gd N4 O6 -","- C47 H65 Gd N4 O6 -","- C188 H260 Gd4 N16 O24 -","4","1","","Kitagawa, Yuichi; Kumagai, Marina; Nakanishi, Takayuki; Fushimi, Koji; Hasegawa, Yasuchika","First aggregation-induced emission of a Tb(iii) luminophore based on modulation of ligand-ligand charge transfer bands.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2431","2436","10.1039/d0dt00094a","","x-ray","0.71073","MoKα","","0.0504","0.0337","","","0.1063","0.1236","","","","","","1.133","","","","has coordinates","248913","2020-10-21","18:00:00",""
"7703386","8.9559","0.0009","11.5794","0.0011","10.6239","0.0011","90","","114.012","0.005","90","","1006.4","0.18","200","2","200","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C20 H18 Cl2 Mn N4 O2 -","- C20 H18 Cl2 Mn N4 O2 -","- C40 H36 Cl4 Mn2 N8 O4 -","2","0.5","","Zhang, Guoqi; Zeng, Haisu; Li, Sihan; Johnson, Jahvon; Mo, Zixuan; Neary, Michelle C.; Zheng, Shengping","1-D manganese(ii)-terpyridine coordination polymers as precatalysts for hydrofunctionalisation of carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2610","2615","10.1039/c9dt04637b","","","1.54178","CuKα","","0.0692","0.0557","","","0.1286","0.14","","","","","","1.074","","","","has coordinates","248914","2020-10-21","18:00:00",""
"7703387","8.8113","0.0002","10.2327","0.0003","11.4867","0.0003","95.176","0.001","91.449","0.001","94.407","0.001","1027.87","0.05","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Br2 Mn N4 O -","- C21 H18 Br2 Mn N4 O -","- C42 H36 Br4 Mn2 N8 O2 -","2","1","","Zhang, Guoqi; Zeng, Haisu; Li, Sihan; Johnson, Jahvon; Mo, Zixuan; Neary, Michelle C.; Zheng, Shengping","1-D manganese(ii)-terpyridine coordination polymers as precatalysts for hydrofunctionalisation of carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2610","2615","10.1039/c9dt04637b","","","0.71073","MoKα","","0.0535","0.0328","","","0.0667","0.0726","","","","","","1.037","","","","has coordinates","248914","2020-10-21","18:00:00",""
"7703388","8.8381","0.0002","10.1859","0.0002","17.7667","0.0004","101.621","0.002","94.5","0.002","113.037","0.003","1419.59","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 Cd N4 O9 -","- C29 H30 Cd N4 O9 -","- C58 H60 Cd2 N8 O18 -","2","1","","Liu, Jian-Jun; Xia, Shu-Biao; Que, Qi-Tao; Suo, Hongbo; Liu, Jiaming; Shen, Xiang; Cheng, Fei-Xiang","Naphthalimide-containing coordination polymer with mechanoresponsive luminescence and excellent metal ion sensing properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3174","3180","10.1039/c9dt04928b","","","0.71073","MoKα","","0.0254","0.0236","","","0.0599","0.0607","","","","","","1.038","","","","has coordinates","250275","2020-10-21","18:00:00",""
"7703389","22.063","0.004","9.969","0.002","24.523","0.005","90","","90","","90","","5393.7","1.8","113","2","113","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H50 N8 O10 Y2 -","- C58 H50 N8 O10 Y2 -","- C232 H200 N32 O40 Y8 -","4","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.1152","0.0826","","","0.2071","0.2309","","","","","","1.073","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703390","9.4103","0.0019","11.313","0.002","11.787","0.002","85.53","0.03","68.11","0.03","67.45","0.03","1072.2","0.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Dy2 N8 O10 -","- C40 H46 Dy2 N8 O10 -","- C40 H46 Dy2 N8 O10 -","1","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.0299","0.0262","","","0.0597","0.0613","","","","","","1.072","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703391","22.114","0.004","9.879","0.002","24.526","0.005","90","","90","","90","","5358.1","1.8","113","2","113.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H50 Ho2 N8 O10 -","- C58 H50 Ho2 N8 O10 -","- C232 H200 Ho8 N32 O40 -","4","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.0506","0.0338","","","0.0677","0.0745","","","","","","1.118","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703392","22.018","0.004","9.815","0.002","24.552","0.005","90","","90","","90","","5305.9","1.8","113","2","113.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H50 N8 O10 Yb2 -","- C58 H50 N8 O10 Yb2 -","- C232 H200 N32 O40 Yb8 -","4","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.1002","0.0833","","","0.1397","0.1455","","","","","","1.301","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703393","9.407","0.0019","11.3","0.002","11.706","0.002","85.25","0.03","68.2","0.03","67.24","0.03","1062.7","0.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Er2 N8 O10 -","- C40 H46 Er2 N8 O10 -","- C40 H46 Er2 N8 O10 -","1","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.0277","0.0257","","","0.0653","0.0709","","","","","","1.002","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703394","22.133","0.004","9.924","0.002","24.477","0.005","90","","90","","90","","5376.3","1.8","113","2","113","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H50 N8 O10 Tb2 -","- C58 H50 N8 O10 Tb2 -","- C232 H200 N32 O40 Tb8 -","4","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.0489","0.0359","","","0.0851","0.0908","","","","","","1.047","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703395","9.201","0.0018","10.889","0.002","12.038","0.002","73.38","0.03","85.05","0.03","86.6","0.03","1150.6","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 Dy2 F6 N8 O12 -","- C40 H44 Dy2 F6 N8 O12 -","- C40 H44 Dy2 F6 N8 O12 -","1","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.0345","0.0298","","","0.0745","0.0875","","","","","","1.098","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703396","22.064","0.004","9.869","0.002","24.538","0.005","90","","90","","90","","5343.1","1.8","113","2","113","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H50 Er2 N8 O10 -","- C58 H50 Er2 N8 O10 -","- C232 H200 Er8 N32 O40 -","4","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.061","0.0412","","","0.0897","0.0979","","","","","","1.09","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703397","10.583","0.002","11.808","0.002","12.599","0.003","113.07","0.03","104.13","0.03","102.28","0.03","1318.1","0.7","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H38 Cl4 Dy2 F6 N8 O10 S2 -","- C46 H40 Cl4 Dy2 F6 N8 O10 S2 -","- C46 H40 Cl4 Dy2 F6 N8 O10 S2 -","1","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.044","0.0386","","","0.1105","0.1387","","","","","","1.088","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703398","21.973","0.004","9.826","0.002","24.585","0.005","90","","90","","90","","5308.1","1.8","113","2","113","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H50 Lu2 N8 O10 -","- C58 H50 Lu2 N8 O10 -","- C232 H200 Lu8 N32 O40 -","4","0.5","","Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong","Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2850","2861","10.1039/c9dt04093e","","","0.71073","MoKα","","0.063","0.0548","","","0.176","0.1889","","","","","","1.051","","","","has coordinates","248977","2020-10-21","18:00:00",""
"7703399","29.085","0.002","13.0294","0.001","17.112","0.0013","90","","115.843","0.006","90","","5836.2","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 N6 O7 Zn -","- C29 H26 N6 O7 Zn -","- C232 H208 N48 O56 Zn8 -","8","1","","Parsekar, Sidhali U.; Velankanni, Priyanka; Sridhar, Shruti; Haldar, Paramita; Mate, Nayan A.; Banerjee, Arnab; Sudhadevi Antharjanam, P. K.; Koley, Aditya P.; Kumar, Manjuri","Protein binding studies with human serum albumin, molecular docking and in vitro cytotoxicity studies using HeLa cervical carcinoma cells of Cu(ii)/Zn(ii) complexes containing a carbohydrazone ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2947","2965","10.1039/c9dt04656a","","","0.71073","MoKα","","0.2563","0.0946","","","0.2251","0.3571","","","","","","1.011","","","","has coordinates","248985","2020-10-21","18:00:00",""
"7703400","11.207","0.0003","12.5604","0.0004","13.5908","0.0004","71.015","0.002","67.784","0.002","70.936","0.002","1628.81","0.09","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H31 B2 Co F8 N7 O0 -","- C31 H31 B2 Co F8 N7 -","- C62 H62 B4 Co2 F16 N14 -","2","1","","Yi, Gangji; Cui, Huihui; Zhang, Chunyang; Zhao, Wen; Chen, Lei; Zhang, Yi-Quan; Chen, Xue-Tai; Song, You; Yuan, Aihua","A capped trigonal prismatic cobalt(ii) complex as a structural archetype for single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2063","2067","10.1039/c9dt04881b","","","0.71073","MoKα","","0.063","0.0428","","","0.1012","0.1144","","","","","","1.018","","","","has coordinates","248958","2020-10-21","18:00:00",""
"7703401","11.5246","0.0008","12.2303","0.0009","14.0274","0.0011","111.348","0.004","97.401","0.004","111.538","0.004","1632.4","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H31 Cl2 Fe N7 O8 -","- C31 H31 Cl2 Fe N7 O8 -","- C62 H62 Cl4 Fe2 N14 O16 -","2","1","","Yi, Gangji; Cui, Huihui; Zhang, Chunyang; Zhao, Wen; Chen, Lei; Zhang, Yi-Quan; Chen, Xue-Tai; Song, You; Yuan, Aihua","A capped trigonal prismatic cobalt(ii) complex as a structural archetype for single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2063","2067","10.1039/c9dt04881b","","","0.71073","MoKα","","0.0852","0.0553","","","0.1601","0.1985","","","","","","1.059","","","","has coordinates","248958","2020-10-21","18:00:00",""
"7703402","20.0498","0.0011","24.3323","0.0011","25.4119","0.0012","89.231","0.002","72.661","0.002","80.351","0.002","11657.8","1","150","2","150","","","","","","","","","10","P -1","-P 1","2","","","","- C24 H36 As4 Cl6 K N36 Na O154 Ru6 W42 -","- C24 H36 As4 Cl6 K N36 Na O154 Ru6 W42 -","- C48 H72 As8 Cl12 K2 N72 Na2 O308 Ru12 W84 -","2","1","","Li, Huafeng; He, Peipei; Wan, Rong; Zou, Yan; Zhao, Xue; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Trinuclear ruthenium core-containing polyoxometalate-based hybrids: preparation, characterization and catalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2895","2904","10.1039/c9dt04616j","","","0.71073","MoKα","","0.1335","0.1042","","","0.2754","0.3173","","","","","","1.134","","","","has coordinates,has disorder","248978","2020-10-21","18:00:00",""
"7703403","18.3691","0.0005","18.389","0.0006","22.2929","0.0006","90","","108.358","0.0012","90","","7147.1","0.4","150","2","149.98","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C24 H36 As2 Cl6 N36 O76 Ru6 W21 -","- C24 H36 As2 Cl6 N36 O76 Ru6 W21 -","- C48 H72 As4 Cl12 N72 O152 Ru12 W42 -","2","0.5","","Li, Huafeng; He, Peipei; Wan, Rong; Zou, Yan; Zhao, Xue; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Trinuclear ruthenium core-containing polyoxometalate-based hybrids: preparation, characterization and catalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2895","2904","10.1039/c9dt04616j","","","0.71073","MoKα","","0.0983","0.0735","","","0.1913","0.2175","","","","","","1.025","","","","has coordinates","248978","2020-10-21","18:00:00",""
"7703404","11.687","0.002","18.89","0.004","18.77","0.004","90","","98.27","0.03","90","","4100.7","1.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H104 O P2 S6 Si6 Zn2 -","- C70 H104 O P2 S6 Si6 Zn2 -","- C140 H208 O2 P4 S12 Si12 Zn4 -","2","0.5","","Guschlbauer, Jannick; Vollgraff, Tobias; Sundermeyer, Jörg","Homoleptic trimethylsilylchalcogenolato zincates [Zn(ESiMe<sub>3</sub>)<sub>3</sub>]<sup>-</sup> and stannanides [Sn(ESiMe<sub>3</sub>)<sub>3</sub>]<sup>-</sup> (E = S, Se): precursors in solution-based low-temperature binary metal chalcogenide and Cu<sub>2</sub>ZnSnS<sub>4</sub> (CZTS) synthesis.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2517","2526","10.1039/c9dt04144c","","","0.71073","MoKα","","0.0385","0.0284","","","0.0649","0.069","","","","","","1.014","","","","has coordinates,has disorder","248926","2020-10-21","18:00:00",""
"7703405","12.1418","0.0007","16.0663","0.0009","22.2417","0.0013","110.185","0.002","99.2","0.002","94.62","0.002","3976.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H47 P S3 Si3 Sn -","- C33 H47 P S3 Si3 Sn -","- C132 H188 P4 S12 Si12 Sn4 -","4","2","","Guschlbauer, Jannick; Vollgraff, Tobias; Sundermeyer, Jörg","Homoleptic trimethylsilylchalcogenolato zincates [Zn(ESiMe<sub>3</sub>)<sub>3</sub>]<sup>-</sup> and stannanides [Sn(ESiMe<sub>3</sub>)<sub>3</sub>]<sup>-</sup> (E = S, Se): precursors in solution-based low-temperature binary metal chalcogenide and Cu<sub>2</sub>ZnSnS<sub>4</sub> (CZTS) synthesis.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2517","2526","10.1039/c9dt04144c","","","0.71073","MoKα","","0.0386","0.0304","","","0.0637","0.0669","","","","","","1.075","","","","has coordinates,has disorder","248926","2020-10-21","18:00:00",""
"7703406","12.36","0.006","12.641","0.006","14.29","0.007","104.645","0.014","108.529","0.013","105.841","0.014","1890.2","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H94 P2 Se6 Si6 Zn2 -","- C66 H94 P2 Se6 Si6 Zn2 -","- C66 H94 P2 Se6 Si6 Zn2 -","1","0.5","","Guschlbauer, Jannick; Vollgraff, Tobias; Sundermeyer, Jörg","Homoleptic trimethylsilylchalcogenolato zincates [Zn(ESiMe<sub>3</sub>)<sub>3</sub>]<sup>-</sup> and stannanides [Sn(ESiMe<sub>3</sub>)<sub>3</sub>]<sup>-</sup> (E = S, Se): precursors in solution-based low-temperature binary metal chalcogenide and Cu<sub>2</sub>ZnSnS<sub>4</sub> (CZTS) synthesis.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2517","2526","10.1039/c9dt04144c","","","0.71073","MoKα","","0.0426","0.0285","","","0.0547","0.0585","","","","","","1.016","","","","has coordinates,has disorder","248926","2020-10-21","18:00:00",""
"7703407","9.181","0.0003","11.4645","0.0004","20.7463","0.0007","90","","90","","90","","2183.66","0.13","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C27 H38 Ti -","- C27 H38 Ti -","- C108 H152 Ti4 -","4","0.5","","Fischer, Malte; Vincent-Heldt, Lisa; Hillje, Malena; Schmidtmann, Marc; Beckhaus, Ruediger","Synthesis of a titanium ethylene complex via C-H-activation and alternative access to Cp<sub>2</sub>Ti(η<sup>2</sup>-Me<sub>3</sub>SiC<sub>2</sub>SiMe<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2068","2072","10.1039/d0dt00237b","","","0.71073","MoKα","","0.0626","0.0438","","","0.1112","0.1238","","","","","","1.039","","","","has coordinates,has disorder","248959","2020-10-21","18:00:00",""
"7703408","11.3854","0.0003","12.8121","0.0003","21.3362","0.0005","90","","90","","90","","3112.33","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H52 Si2 Ti -","- C33 H52 Si2 Ti -","- C132 H208 Si8 Ti4 -","4","1","","Fischer, Malte; Vincent-Heldt, Lisa; Hillje, Malena; Schmidtmann, Marc; Beckhaus, Ruediger","Synthesis of a titanium ethylene complex via C-H-activation and alternative access to Cp<sub>2</sub>Ti(η<sup>2</sup>-Me<sub>3</sub>SiC<sub>2</sub>SiMe<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2068","2072","10.1039/d0dt00237b","","","0.71073","MoKα","","0.0205","0.0193","","","0.0542","0.055","","","","","","1.064","","","","has coordinates","248959","2020-10-21","18:00:00",""
"7703409","24.1194","0.0003","9.1793","0.0001","23.3012","0.0004","90","","113.303","0.002","90","","4738.04","0.13","100.01","0.11","100.01","0.11","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H24 I Ir N2 S3 -","- C23 H24 I Ir N2 S3 -","- C184 H192 I8 Ir8 N16 S24 -","8","2","","Wang, Weiran; Lynch, Vincent M.; Guo, Hongyu; Datta, Anwesha; Jones, Richard A.","Electropolymerizable N-heterocyclic carbene complexes of Rh and Ir with enantiotropic polymorphic phases.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2264","2272","10.1039/c9dt04844h","","x-ray","1.54184","CuKα","","0.0554","0.0455","","","0.113","0.125","","","","","","1.044","","","","has coordinates,has disorder","248967","2020-10-21","18:00:00",""
"7703410","24.41","0.002","9.286","0.001","23.474","0.002","90","","113.725","0.005","90","","4871.2","0.8","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 I N2 Rh S3 -","- C23 H24 I N2 Rh S3 -","- C184 H192 I8 N16 Rh8 S24 -","8","1","","Wang, Weiran; Lynch, Vincent M.; Guo, Hongyu; Datta, Anwesha; Jones, Richard A.","Electropolymerizable N-heterocyclic carbene complexes of Rh and Ir with enantiotropic polymorphic phases.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2264","2272","10.1039/c9dt04844h","","","0.71073","MoKα","","0.1151","0.0542","","","0.1185","0.1394","","","","","","1.026","","","","has coordinates,has disorder","248967","2020-10-21","18:00:00",""
"7703411","24.1194","0.0003","9.1793","0.0001","23.3012","0.0004","90","","113.303","0.002","90","","4738.04","0.13","100.01","0.11","100.01","0.11","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H24 I Ir N2 S3 -","- C23 H24 I Ir N2 S3 -","- C184 H192 I8 Ir8 N16 S24 -","8","2","","Wang, Weiran; Lynch, Vincent M.; Guo, Hongyu; Datta, Anwesha; Jones, Richard A.","Electropolymerizable N-heterocyclic carbene complexes of Rh and Ir with enantiotropic polymorphic phases.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2264","2272","10.1039/c9dt04844h","","x-ray","1.54184","CuKα","","0.0554","0.0455","","","0.1132","0.1252","","","","","","1.045","","","","has coordinates,has disorder","248967","2020-10-21","18:00:00",""
"7703412","24.425","0.002","9.2985","0.0008","23.526","0.002","90","","113.778","0.004","90","","4889.6","0.7","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 I Ir N2 S3 -","- C22.96 H24 I Ir N2 S3 -","- C183.68 H192 I8 Ir8 N16 S24 -","8","1","","Wang, Weiran; Lynch, Vincent M.; Guo, Hongyu; Datta, Anwesha; Jones, Richard A.","Electropolymerizable N-heterocyclic carbene complexes of Rh and Ir with enantiotropic polymorphic phases.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2264","2272","10.1039/c9dt04844h","","","0.71073","MoKα","","0.0571","0.0316","","","0.067","0.0738","","","","","","1.03","","","","has coordinates,has disorder","248967","2020-10-21","18:00:00",""
"7703413","12.7257","0.0003","14.9871","0.0003","15.3105","0.0003","60.9714","0.0006","80.3094","0.0007","68.9999","0.0006","2383.58","0.09","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C53 H55 F4 Ir N5 O2 -","- C44 H34 F4 Ir N5 O2 -","- C88 H68 F8 Ir2 N10 O4 -","2","1","","Benjamin, Helen; Zheng, Yonghao; Kozhevnikov, Valery N.; Siddle, Jamie S.; O'Driscoll, Luke J; Fox, Mark A.; Batsanov, Andrei S.; Griffiths, Gareth C.; Dias, Fernando B.; Monkman, Andrew P.; Bryce, Martin R.","Unusual dual-emissive heteroleptic iridium complexes incorporating TADF cyclometalating ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2190","2208","10.1039/c9dt04672k","","x-ray","0.71073","MoKα","","0.0322","0.0264","","","0.0676","0.07","","","","","","1.064","","","","has coordinates","248960","2020-10-21","18:00:00",""
"7703414","10.0759","0.0005","16.3073","0.0008","17.9412","0.0008","89.3872","0.0015","76.798","0.0014","89.1792","0.0015","2869.6","0.2","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C52 H34 Cl12 D4 F4 Ir N5 O2 -","- C52 H34 Cl12 D4 F4 Ir N5 O2 -","- C104 H68 Cl24 D8 F8 Ir2 N10 O4 -","2","1","","Benjamin, Helen; Zheng, Yonghao; Kozhevnikov, Valery N.; Siddle, Jamie S.; O'Driscoll, Luke J; Fox, Mark A.; Batsanov, Andrei S.; Griffiths, Gareth C.; Dias, Fernando B.; Monkman, Andrew P.; Bryce, Martin R.","Unusual dual-emissive heteroleptic iridium complexes incorporating TADF cyclometalating ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2190","2208","10.1039/c9dt04672k","","x-ray","0.71073","MoKα","","0.0547","0.0361","","","0.073","0.0774","","","","","","0.983","","","","has coordinates,has disorder","248960","2020-10-21","18:00:00",""
"7703415","49.022","0.004","11.4685","0.0009","25.848","0.003","90","","120.087","0.005","90","","12574","2","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C55 H94 Co N4 P3 Si Zr -","- C55 H94 Co N4 P3 Si Zr -","- C440 H752 Co8 N32 P24 Si8 Zr8 -","8","1","","Beattie, Jeffrey W.; Wang, Canning; Zhang, Hongtu; Krogman, Jeremy P.; Foxman, Bruce M.; Thomas, Christine M.","Dimerization of terminal alkynes promoted by a heterobimetallic Zr/Co complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2407","2411","10.1039/d0dt00334d","","","0.71073","MoKα","","0.1314","0.107","","","0.2162","0.2274","","","","","","1.181","","","","has coordinates,has disorder","248927","2020-10-21","18:00:00",""
"7703416","12.0196","0.0009","34.104","0.003","13.9512","0.0009","90","","97.923","0.002","90","","5664.2","0.7","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H87 Co N3 P3 Zr -","- C61 H87 Co N3 P3 Zr -","- C244 H348 Co4 N12 P12 Zr4 -","4","1","","Beattie, Jeffrey W.; Wang, Canning; Zhang, Hongtu; Krogman, Jeremy P.; Foxman, Bruce M.; Thomas, Christine M.","Dimerization of terminal alkynes promoted by a heterobimetallic Zr/Co complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2407","2411","10.1039/d0dt00334d","","","0.71073","MoKα","","0.1064","0.0502","","0.0912","0.0731","0.0912","","","","","","1.0049","","","","has coordinates","248927","2020-10-21","18:00:00",""
"7703417","10.6498","0.0012","12.2814","0.0014","13.1786","0.0016","75.85","0.005","83.335","0.005","66.493","0.005","1532.3","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H29 Cl Co N4 O7 -","- C32 H29 Cl Co N4 O7 -","- C64 H58 Cl2 Co2 N8 O14 -","2","1","","Chakraborty, Biswarup; Ghosh, Ivy; Jana, Rahul Dev; Paine, Tapan Kanti","Oxidative C-N bond cleavage of (2-pyridylmethyl)amine-based tetradentate supporting ligands in ternary cobalt(ii)-carboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3463","3472","10.1039/c9dt04438h","","","0.71073","MoKα","","0.053","0.0499","","","0.1598","0.1651","","","","","","1.236","","","","has coordinates","250301","2020-10-21","18:00:00",""
"7703418","13.263","0.002","14.74","0.003","15.25","0.005","102.166","0.006","100.967","0.006","113.879","0.004","2535.1","1.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 B Co N6 O4 -","- C48 H36 B Co N6 O4 -","- C96 H72 B2 Co2 N12 O8 -","2","1","","Chakraborty, Biswarup; Ghosh, Ivy; Jana, Rahul Dev; Paine, Tapan Kanti","Oxidative C-N bond cleavage of (2-pyridylmethyl)amine-based tetradentate supporting ligands in ternary cobalt(ii)-carboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3463","3472","10.1039/c9dt04438h","","","0.71073","MoKα","","0.0722","0.0536","","","0.0892","0.0912","","","","","","1.963","","","","has coordinates","250301","2020-10-21","18:00:00",""
"7703419","7.756","0.004","13.155","0.007","14.905","0.008","93.131","0.011","103.969","0.011","90.799","0.012","1473","1.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 Cl Co N5 O8 -","- C27 H25 Cl Co N5 O7.99 -","- C54 H50 Cl2 Co2 N10 O15.98 -","2","1","","Chakraborty, Biswarup; Ghosh, Ivy; Jana, Rahul Dev; Paine, Tapan Kanti","Oxidative C-N bond cleavage of (2-pyridylmethyl)amine-based tetradentate supporting ligands in ternary cobalt(ii)-carboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3463","3472","10.1039/c9dt04438h","","","0.71073","MoKα","","0.0803","0.0603","","","0.1601","0.1724","","","","","","1.068","","","","has coordinates","250301","2020-10-21","18:00:00",""
"7703420","31.55","0.003","12.8484","0.0011","23.58","0.002","90","","109.541","0.002","90","","9008","1.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H43 B Co N4 O2 -","- C49 H43 B Co N4 O2 -","- C392 H344 B8 Co8 N32 O16 -","8","1","","Chakraborty, Biswarup; Ghosh, Ivy; Jana, Rahul Dev; Paine, Tapan Kanti","Oxidative C-N bond cleavage of (2-pyridylmethyl)amine-based tetradentate supporting ligands in ternary cobalt(ii)-carboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3463","3472","10.1039/c9dt04438h","","","0.71073","MoKα","","0.0462","0.0348","","","0.0819","0.0858","","","","","","1.051","","","","has coordinates","250301","2020-10-21","18:00:00",""
"7703421","16.4332","0.0017","18.9379","0.0019","18.6337","0.0019","90","","113.438","0.001","90","","5320.5","0.9","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H42 Cl4 Co2 N10 O18 -","- C40 H42 Cl4 Co2 N10 O18 -","- C160 H168 Cl16 Co8 N40 O72 -","4","0.5","","Chakraborty, Biswarup; Ghosh, Ivy; Jana, Rahul Dev; Paine, Tapan Kanti","Oxidative C-N bond cleavage of (2-pyridylmethyl)amine-based tetradentate supporting ligands in ternary cobalt(ii)-carboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3463","3472","10.1039/c9dt04438h","","","0.71073","MoKα","","0.071","0.0561","","","0.1106","0.1152","","","","","","1.266","","","","has coordinates","250301","2020-10-21","18:00:00",""
"7703422","11.6649","0.0004","11.6649","0.0004","27.3173","0.001","90","","90","","120","","3219.1","0.2","295","2","295","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Co15 F2 O42 Te14 -","- Co15 F2 O42 Te14 -","- Co45 F6 O126 Te42 -","3","0.166667","","Lü, Minfeng; Jiang, Jianhua; Zhu, Bei; Zhao, Yuwei; Zhu, Tianyu; Yang, Haoming; Jin, Yong; Kabbour, Houria; Choi, Kwang-Yong; Harrison, William T. A.","Lone-pair self-containment in pyritohedron-shaped closed cavities: optimized hydrothermal synthesis, structure, magnetism and lattice thermal conductivity of Co<sub>15</sub>F<sub>2</sub>(TeO<sub>3</sub>)<sub>14</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2234","2243","10.1039/c9dt04176a","","","0.71073","MoKα","","0.0252","0.0223","","","0.0445","0.0453","","","","","","1.179","","","","has coordinates","248966","2020-10-21","18:00:00",""
"7703423","4.53","0.001","12.61","0.003","14.68","0.003","107.85","0.03","93.47","0.03","98.1","0.03","785.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","phenyl viologen lead (II) iodide","","- C11 H9 I3 N Pb -","- C11 H9 I3 N Pb -","- C22 H18 I6 N2 Pb2 -","2","1","","Latini, Alessandro; Quaranta, Simone; Menchini, Francesca; Lisi, Nicola; Di Girolamo, Diego; Tarquini, Ombretta; Colapietro, Marcello; Barba, Luisa; Demitri, Nicola; Cassetta, Alberto","A novel water-resistant and thermally stable black lead halide perovskite, phenyl viologen lead iodide C<sub>22</sub>H<sub>18</sub>N<sub>2</sub>(PbI<sub>3</sub>)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2616","2627","10.1039/c9dt04148f","","","0.7","Synchrotron","","0.0948","0.0915","","","0.2671","0.2697","","","","","","1.059","","","","has coordinates","248924","2020-10-21","18:00:00",""
"7703424","8.7017","0.0003","27.6498","0.001","11.5771","0.0004","90","","104.557","0.002","90","","2696.03","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","compound 2","Mg(OR)(sec-Bu)(THF)2","","- C27 H47.25 Mg O3 -","- C27 H48 Mg O3 -","- C108 H192 Mg4 O12 -","4","1","","Wannipurage, Duleeka; Hollingsworth, Thilini S.; Santulli, Federica; Cozzolino, Mariachiara; Lamberti, Marina; Groysman, Stanislav; Mazzeo, Mina","Synthesis of a mononuclear magnesium bis(alkoxide) complex and its reactivity in the ring-opening copolymerization of cyclic anhydrides with epoxides.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2715","2723","10.1039/c9dt04274a","","","0.71073","MoKα","","0.0712","0.0496","","","0.1218","0.1344","","","","","","1.014","","","","has coordinates,has disorder","248921","2020-10-21","18:00:00",""
"7703425","21.017","0.002","36.775","0.004","9.2521","0.001","90","","90","","90","","7150.9","1.3","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","compound 1","Mg(OR)2(THF)2","","- C19 H31 Mg0.5 O2 -","- C19 H31 Mg0.5 O2 -","- C304 H496 Mg8 O32 -","16","1","","Wannipurage, Duleeka; Hollingsworth, Thilini S.; Santulli, Federica; Cozzolino, Mariachiara; Lamberti, Marina; Groysman, Stanislav; Mazzeo, Mina","Synthesis of a mononuclear magnesium bis(alkoxide) complex and its reactivity in the ring-opening copolymerization of cyclic anhydrides with epoxides.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2715","2723","10.1039/c9dt04274a","","","0.71073","MoKα","","0.1009","0.0525","","","0.0917","0.1065","","","","","","1.004","","","","has coordinates","248921","2020-10-21","18:00:00",""
"7703426","5.2488","0.0003","5.2488","0.0003","22.702","0.0014","90","","90","","120","","541.65","0.06","298","2","298","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C Mn3 O11 Rb2 V2 -","- C Mn3 O11 Rb2 V2 -","- C2 Mn6 O22 Rb4 V4 -","2","0.166667","","Smith Pellizzeri, Tiffany M.; Sanjeewa, Liurukara D.; Pellizzeri, Steven; McMillen, Colin D.; Garlea, V. Ovidiu; Ye, Feng; Sefat, Athena S.; Kolis, Joseph W.","Single crystal neutron and magnetic measurements of Rb<sub>2</sub>Mn<sub>3</sub>(VO<sub>4</sub>)<sub>2</sub>CO<sub>3</sub> and K<sub>2</sub>Co<sub>3</sub>(VO<sub>4</sub>)<sub>2</sub>CO<sub>3</sub> with mixed honeycomb and triangular magnetic lattices.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4323","4335","10.1039/c9dt03389k","","","0.71073","MoKα","","0.04","0.0299","","","0.0667","0.0701","","","","","","1.18","","","","has coordinates","251647","2020-10-21","18:00:00",""
"7703427","5.0931","0.0002","5.0931","0.0002","22.1551","0.0013","90","","90","","120","","497.7","0.04","298","2","298","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C Co3 K2 O11 V2 -","- C Co3 K2 O11 V2 -","- C2 Co6 K4 O22 V4 -","2","0.166667","","Smith Pellizzeri, Tiffany M.; Sanjeewa, Liurukara D.; Pellizzeri, Steven; McMillen, Colin D.; Garlea, V. Ovidiu; Ye, Feng; Sefat, Athena S.; Kolis, Joseph W.","Single crystal neutron and magnetic measurements of Rb<sub>2</sub>Mn<sub>3</sub>(VO<sub>4</sub>)<sub>2</sub>CO<sub>3</sub> and K<sub>2</sub>Co<sub>3</sub>(VO<sub>4</sub>)<sub>2</sub>CO<sub>3</sub> with mixed honeycomb and triangular magnetic lattices.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4323","4335","10.1039/c9dt03389k","","","0.71073","MoKα","","0.0346","0.0327","","","0.0879","0.0895","","","","","","1.127","","","","has coordinates","251647","2020-10-21","18:00:00",""
"7703428","17.565","0.01","17.565","0.01","17.565","0.01","90","","90","","90","","5419","5","100","","100","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- O39 S W11 -","- O39.0004 S W11.0004 -","- O78.0008 S2 W22.0008 -","2","0.0208333","","Azuma, Shinya; Kadoguchi, Taiga; Eguchi, Yohei; Hirabaru, Hikaru; Ota, Hiromi; Sadakane, Masahiro; Yanagisawa, Kazumichi; Hasegawa, Takuya; Ueda, Tadaharu","Metal-substituted tungstosulfates with Keggin structure: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2766","2770","10.1039/c9dt04737a","","","0.71075","MoKα","","0.0934","0.0931","","","0.2188","0.2189","","","","","","1.282","","","","has coordinates","248986","2020-10-21","18:00:00",""
"7703429","17.747","0.014","17.747","0.014","17.747","0.014","90","","90","","90","","5590","8","100","","100","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Ni O39 S W11 -","- Ni0.9996 O39.0004 S W10.998 -","- Ni1.9992 O78.0008 S2 W21.996 -","2","0.0208333","","Azuma, Shinya; Kadoguchi, Taiga; Eguchi, Yohei; Hirabaru, Hikaru; Ota, Hiromi; Sadakane, Masahiro; Yanagisawa, Kazumichi; Hasegawa, Takuya; Ueda, Tadaharu","Metal-substituted tungstosulfates with Keggin structure: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2766","2770","10.1039/c9dt04737a","","","0.71075","MoKα","","0.0495","0.0489","","","0.1147","0.1151","","","","","","1.134","","","","has coordinates","248986","2020-10-21","18:00:00",""
"7703430","17.805","0.014","17.805","0.014","17.805","0.014","90","","90","","90","","5645","8","100","","100","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Cu O39 S W11 -","- Cu0.9996 O39.0004 S W10.998 -","- Cu1.9992 O78.0008 S2 W21.996 -","2","0.0208333","","Azuma, Shinya; Kadoguchi, Taiga; Eguchi, Yohei; Hirabaru, Hikaru; Ota, Hiromi; Sadakane, Masahiro; Yanagisawa, Kazumichi; Hasegawa, Takuya; Ueda, Tadaharu","Metal-substituted tungstosulfates with Keggin structure: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2766","2770","10.1039/c9dt04737a","","","0.71075","MoKα","","0.0373","0.0362","","","0.0859","0.0866","","","","","","1.03","","","","has coordinates","248986","2020-10-21","18:00:00",""
"7703431","17.854","0.014","17.854","0.014","17.854","0.014","90","","90","","90","","5691","8","100","","100","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Co O39 S W11 -","- Co0.9996 O39.0004 S W10.998 -","- Co1.9992 O78.0008 S2 W21.996 -","2","0.0208333","","Azuma, Shinya; Kadoguchi, Taiga; Eguchi, Yohei; Hirabaru, Hikaru; Ota, Hiromi; Sadakane, Masahiro; Yanagisawa, Kazumichi; Hasegawa, Takuya; Ueda, Tadaharu","Metal-substituted tungstosulfates with Keggin structure: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2766","2770","10.1039/c9dt04737a","","","0.71075","MoKα","","0.0419","0.0417","","","0.1054","0.1056","","","","","","1.084","","","","has coordinates","248986","2020-10-21","18:00:00",""
"7703432","17.864","0.016","17.864","0.016","17.864","0.016","90","","90","","90","","5701","9","100","","100","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Mn O39 S W11 -","- Mn0.9996 O39.0004 S W10.998 -","- Mn1.9992 O78.0008 S2 W21.996 -","2","0.0208333","","Azuma, Shinya; Kadoguchi, Taiga; Eguchi, Yohei; Hirabaru, Hikaru; Ota, Hiromi; Sadakane, Masahiro; Yanagisawa, Kazumichi; Hasegawa, Takuya; Ueda, Tadaharu","Metal-substituted tungstosulfates with Keggin structure: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2766","2770","10.1039/c9dt04737a","","","0.71075","MoKα","","0.0753","0.0726","","","0.1739","0.1755","","","","","","1.211","","","","has coordinates","248986","2020-10-21","18:00:00",""
"7703433","9.471","0.003","9.9463","0.0013","18.892","0.004","89.006","0.015","89.266","0.019","79.674","0.015","1750.5","0.7","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H54 P4 Ru -","- C30 H54 P4 Ru -","- C60 H108 P8 Ru2 -","2","1","","Naik, Surabhi; Scottwell, Synøve Ø; Li, Hsiu L.; Leong, Chanel F.; D'Alessandro, Deanna M; Field, Leslie D.","Dinuclear acetylide-bridged ruthenium(ii) complexes with rigid non-aromatic spacers.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2687","2695","10.1039/c9dt04856a","","","0.71073","MoKα","","0.0733","0.055","","","0.1333","0.1504","","","","","","1.181","","","","has coordinates","248908","2020-10-21","18:00:00",""
"7703434","9.0326","0.0008","9.5696","0.0007","17.8617","0.0018","80.212","0.003","87.485","0.004","76.091","0.004","1476.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H92 B10 P8 Ru2 -","- C42 H92 B10 P8 Ru2 -","- C42 H92 B10 P8 Ru2 -","1","0.5","","Naik, Surabhi; Scottwell, Synøve Ø; Li, Hsiu L.; Leong, Chanel F.; D'Alessandro, Deanna M; Field, Leslie D.","Dinuclear acetylide-bridged ruthenium(ii) complexes with rigid non-aromatic spacers.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2687","2695","10.1039/c9dt04856a","","","0.71073","MoKα","","0.0896","0.0577","","","0.1393","0.1589","","","","","","1.006","","","","has coordinates","248908","2020-10-21","18:00:00",""
"7703435","12.343","0.002","13.014","0.002","14.456","0.003","106.14","0.003","97.91","0.003","111.844","0.003","1993.3","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H62 Al2 Co3 Mo12 N6 O70 -","- C24 H18 Al2 Co3 Mo12 N6 O64 -","- C24 H18 Al2 Co3 Mo12 N6 O64 -","1","0.5","","Li, Jia-Hui; Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng","Various Anderson-type polyoxometalate-based metal-organic complexes induced by diverse solvents: assembly, structures and selective adsorption for organic dyes.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1265","1275","10.1039/c9dt04397g","","","0.71073","MoKα","","0.0868","0.0472","","","0.1053","0.1169","","","","","","0.924","","","","has coordinates","247554","2020-10-21","18:00:00",""
"7703436","15.0632","0.0007","11.1922","0.0006","24.2976","0.0012","90","","107.059","0.001","90","","3916.1","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H60 Cr2 Mo12 N6 O70 Zn4 -","- C24 H16 Cr2 Mo12 N6 O66 Zn4 -","- C48 H32 Cr4 Mo24 N12 O132 Zn8 -","2","0.5","","Li, Jia-Hui; Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng","Various Anderson-type polyoxometalate-based metal-organic complexes induced by diverse solvents: assembly, structures and selective adsorption for organic dyes.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1265","1275","10.1039/c9dt04397g","","","0.71073","MoKα","","0.0844","0.0637","","","0.1997","0.2128","","","","","","1.095","","","","has coordinates,has disorder","247554","2020-10-21","18:00:00",""
"7703437","26.252","0.003","9.8285","0.001","25.469","0.003","90","","117.799","0.005","90","","5813","1.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H46 Al Cu3 Mo6 N6 O42 -","- C24 H16 Al Cu3 Mo6 N6 O36 -","- C96 H64 Al4 Cu12 Mo24 N24 O144 -","4","0.5","","Li, Jia-Hui; Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng","Various Anderson-type polyoxometalate-based metal-organic complexes induced by diverse solvents: assembly, structures and selective adsorption for organic dyes.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1265","1275","10.1039/c9dt04397g","","","0.71073","MoKα","","0.0704","0.0512","","","0.1497","0.1601","","","","","","1.048","","","","has coordinates","247554","2020-10-21","18:00:00",""
"7703438","26.0599","0.0013","9.7982","0.0004","24.9355","0.0012","90","","117.296","0.001","90","","5658.1","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H46 Cr Mo6 N6 O42 Zn3 -","- C24 H16 Cr Mo6 N6 O36 Zn3 -","- C96 H64 Cr4 Mo24 N24 O144 Zn12 -","4","0.5","","Li, Jia-Hui; Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng","Various Anderson-type polyoxometalate-based metal-organic complexes induced by diverse solvents: assembly, structures and selective adsorption for organic dyes.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1265","1275","10.1039/c9dt04397g","","","0.71073","MoKα","","0.0466","0.0418","","","0.1268","0.1301","","","","","","1.044","","","","has coordinates","247554","2020-10-21","18:00:00",""
"7703439","5.873","0.002","10.453","0.003","17.204","0.005","92.808","0.007","95.027","0.007","103.268","0.007","1021.4","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H26 Cr Cu Mo6 N6 O32 -","- C24 H16 Cr Cu Mo6 N6 O32 -","- C24 H16 Cr Cu Mo6 N6 O32 -","1","0.5","","Li, Jia-Hui; Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng","Various Anderson-type polyoxometalate-based metal-organic complexes induced by diverse solvents: assembly, structures and selective adsorption for organic dyes.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1265","1275","10.1039/c9dt04397g","","","0.71069","MoKα","","0.1399","0.1","","","0.281","0.3053","","","","","","1.052","","","","has coordinates","247554","2020-10-21","18:00:00",""
"7703440","25.692","0.009","9.778","0.005","24.373","0.005","90","","116.606","0.012","90","","5475","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H25 Mo3 N3 Ni2 O22 -","- C12 H8 Mo3 N3 Ni2 O18 -","- C96 H64 Mo24 N24 Ni16 O144 -","8","1","","Li, Jia-Hui; Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng","Various Anderson-type polyoxometalate-based metal-organic complexes induced by diverse solvents: assembly, structures and selective adsorption for organic dyes.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1265","1275","10.1039/c9dt04397g","","","0.71069","MoKα","","0.137","0.091","","","0.2356","0.26","","","","","","0.973","","","","has coordinates","247554","2020-10-21","18:00:00",""
"7703441","33.4606","0.0014","17.0002","0.0004","17.9715","0.0009","90","","120.104","0.006","90","","8844","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H56 Cl2 N8 O3 Ru S2 -","- C31 H56 Cl2 N8 O3 Ru S2 -","- C248 H448 Cl16 N64 O24 Ru8 S16 -","8","1","","Fandzloch, Marzena; Jaromin, Anna; Zaremba-Czogalla, Magdalena; Wojtczak, Andrzej; Lewińska, Agnieszka; Sitkowski, Jerzy; Wiśniewska, Joanna; Łakomska, Iwona; Gubernator, Jerzy","Nanoencapsulation of a ruthenium(ii) complex with triazolopyrimidine in liposomes as a tool for improving its anticancer activity against melanoma cell lines.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1207","1219","10.1039/c9dt03464a","","","0.71073","MoKα","","0.1047","0.0522","","","0.1396","0.1588","","","","","","0.967","","","","has coordinates","247555","2020-10-21","18:00:00",""
"7703442","8.7701","0.0007","21.7923","0.0015","15.5674","0.001","90","","99.426","0.007","90","","2935.1","0.4","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C22 H36 Cl2 N8 O2 Ru S2 -","- C22 H36 Cl2 N8 O2 Ru S2 -","- C88 H144 Cl8 N32 O8 Ru4 S8 -","4","1","","Fandzloch, Marzena; Jaromin, Anna; Zaremba-Czogalla, Magdalena; Wojtczak, Andrzej; Lewińska, Agnieszka; Sitkowski, Jerzy; Wiśniewska, Joanna; Łakomska, Iwona; Gubernator, Jerzy","Nanoencapsulation of a ruthenium(ii) complex with triazolopyrimidine in liposomes as a tool for improving its anticancer activity against melanoma cell lines.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1207","1219","10.1039/c9dt03464a","","","0.71073","MoKα","","0.1098","0.0588","","","0.1206","0.1492","","","","","","1.012","","","","has coordinates,has disorder","247555","2020-10-21","18:00:00",""
"7703443","14.7951","0.0004","11.7116","0.0003","15.554","0.0004","90","","105.289","0.003","90","","2599.72","0.12","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16.5 H34 Cl2 N4 O3.5 Ru S3 -","- C16.5 H34 Cl2 N4 O3.5 Ru S3 -","- C66 H136 Cl8 N16 O14 Ru4 S12 -","4","1","","Fandzloch, Marzena; Jaromin, Anna; Zaremba-Czogalla, Magdalena; Wojtczak, Andrzej; Lewińska, Agnieszka; Sitkowski, Jerzy; Wiśniewska, Joanna; Łakomska, Iwona; Gubernator, Jerzy","Nanoencapsulation of a ruthenium(ii) complex with triazolopyrimidine in liposomes as a tool for improving its anticancer activity against melanoma cell lines.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1207","1219","10.1039/c9dt03464a","","","0.71073","MoKα","","0.0402","0.0306","","","0.0825","0.0861","","","","","","1.046","","","","has coordinates","247555","2020-10-21","18:00:00",""
"7703444","9.2984","0.001","12.1013","0.0013","12.2378","0.0013","82.298","0.009","68.456","0.01","70.1","0.01","1204.3","0.2","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","(TolTr)2PdCl2","AS868","","- C22 H30 Cl2 N6 Pd -","- C22 H30 Cl2 N6 Pd -","- C44 H60 Cl4 N12 Pd2 -","2","1","","Landman, Iris R.; Suleymanov, Abdusalom A.; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Chadwick, F. Mark; Severin, Kay","Brønsted and Lewis acid adducts of triazenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2317","2322","10.1039/d0dt00049c","","x-ray","1.54184","CuKα","","0.1062","0.0935","","","0.2469","0.2614","","","","","","1.094","","","","has coordinates","248969","2020-10-21","18:00:00",""
"7703445","8.1628","0.0004","8.4628","0.0004","12.1951","0.0006","98.576","0.004","106.738","0.004","90.52","0.004","796.52","0.07","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H38 Cl2 N6 O4 Pd -","- C28 H38 Cl2 N6 O4 Pd -","- C28 H38 Cl2 N6 O4 Pd -","1","0.5","","Landman, Iris R.; Suleymanov, Abdusalom A.; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Chadwick, F. Mark; Severin, Kay","Brønsted and Lewis acid adducts of triazenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2317","2322","10.1039/d0dt00049c","","x-ray","1.54184","CuKα","","0.0365","0.0354","","","0.0926","0.0937","","","","","","1.061","","","","has coordinates","248969","2020-10-21","18:00:00",""
"7703446","8.8991","0.0005","10.8721","0.001","11.4526","0.0009","117.321","0.009","91.458","0.006","97.837","0.006","970.37","0.15","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H20 F3 N3 O5 S -","- C15 H20 F3 N3 O5 S -","- C30 H40 F6 N6 O10 S2 -","2","1","","Landman, Iris R.; Suleymanov, Abdusalom A.; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Chadwick, F. Mark; Severin, Kay","Brønsted and Lewis acid adducts of triazenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2317","2322","10.1039/d0dt00049c","","x-ray","1.54184","CuKα","","0.0627","0.0449","","","0.1093","0.123","","","","","","1.033","","","","has coordinates","248969","2020-10-21","18:00:00",""
"7703447","8.0352","0.0003","25.0842","0.0006","8.619","0.0003","90","","94.1","0.003","90","","1732.77","0.1","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 F3 N3 O3 S -","- C13 H20 F3 N3 O3 S -","- C52 H80 F12 N12 O12 S4 -","4","1","","Landman, Iris R.; Suleymanov, Abdusalom A.; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Chadwick, F. Mark; Severin, Kay","Brønsted and Lewis acid adducts of triazenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2317","2322","10.1039/d0dt00049c","","x-ray","1.54184","CuKα","","0.0637","0.044","","","0.1104","0.124","","","","","","1.046","","","","has coordinates","248969","2020-10-21","18:00:00",""
"7703448","18.904","0.0006","16.3612","0.0006","19.3108","0.0005","90","","90","","90","","5972.7","0.3","140","0.1","140","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H19 B F15 N3 -","- C30 H19 B F15 N3 -","- C240 H152 B8 F120 N24 -","8","1","","Landman, Iris R.; Suleymanov, Abdusalom A.; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Chadwick, F. Mark; Severin, Kay","Brønsted and Lewis acid adducts of triazenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2317","2322","10.1039/d0dt00049c","","x-ray","1.54184","CuKα","","0.0643","0.0554","","","0.1445","0.151","","","","","","1.056","","","","has coordinates,has disorder","248969","2020-10-21","18:00:00",""
"7703449","19.1659","0.0005","18.1081","0.0005","35.2711","0.0011","90","","90","","90","","12241.1","0.6","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H23 B F15 N3 -","- C30 H23 B F15 N3 -","- C480 H368 B16 F240 N48 -","16","2","","Landman, Iris R.; Suleymanov, Abdusalom A.; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Chadwick, F. Mark; Severin, Kay","Brønsted and Lewis acid adducts of triazenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2317","2322","10.1039/d0dt00049c","","x-ray","1.54184","CuKα","","0.0854","0.0532","","","0.1222","0.1374","","","","","","1.016","","","","has coordinates,has disorder","248969","2020-10-21","18:00:00",""
"7703450","11.051","0.00019","10.81512","0.00018","15.9625","0.0003","90","","102.277","0.0016","90","","1864.18","0.06","139.98","0.11","139.98","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 F3 N3 O4 S -","- C13 H24 F3 N3 O4 S -","- C52 H96 F12 N12 O16 S4 -","4","1","","Landman, Iris R.; Suleymanov, Abdusalom A.; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Chadwick, F. Mark; Severin, Kay","Brønsted and Lewis acid adducts of triazenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2317","2322","10.1039/d0dt00049c","","x-ray","1.54184","CuKα","","0.049","0.0478","","","0.1256","0.1265","","","","","","1.068","","","","has coordinates","248969","2020-10-21","18:00:00",""
"7703451","24.55","0.0004","10.6232","0.0002","14.7279","0.0003","90","","96.42","0.002","90","","3816.94","0.12","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H25 Cl6 O6 Ru -","- C39 H25 Cl6 O6 Ru -","- C156 H100 Cl24 O24 Ru4 -","4","0.5","","Yoshida, Jun; Tateyama, Kazunori; Yuge, Hidetaka","Tris(tropolonato) ruthenium as a hub for connecting π-conjugated systems.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2102","2111","10.1039/c9dt04860j","","x-ray","1.54184","CuKα","","0.0848","0.0795","","","0.212","0.2199","","","","","","1.035","","","","has coordinates","248975","2020-10-21","18:00:00",""
"7703452","9.2218","0.0003","14.4491","0.0004","14.5213","0.0004","90","","90","","90","","1934.92","0.1","250","2","250.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H36 B3 Dy O3 -","- C12 H36 B3 Dy O3 -","- C48 H144 B12 Dy4 O12 -","4","0.5","","Yu, Ke-Xin; Ding, You-Song; Zhai, Yuan-Qi; Han, Tian; Zheng, Yan-Zhen","Equatorial coordination optimization for enhanced axiality of mononuclear Dy(iii) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3222","3227","10.1039/d0dt00011f","","","0.71073","MoKα","","0.0349","0.0253","","","0.0746","0.0833","","","","","","1.139","","","","has coordinates","250282","2020-10-21","18:00:00",""
"7703453","11.208","0.004","18.045","0.006","20.555","0.007","90","","101.305","0.004","90","","4077","2","250","2","250.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H112 B4 Dy Na O14 -","- C80 H112 B4 Dy Na O14 -","- C160 H224 B8 Dy2 Na2 O28 -","2","0.5","","Yu, Ke-Xin; Ding, You-Song; Zhai, Yuan-Qi; Han, Tian; Zheng, Yan-Zhen","Equatorial coordination optimization for enhanced axiality of mononuclear Dy(iii) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3222","3227","10.1039/d0dt00011f","","","0.71073","MoKα","","0.0467","0.0343","","","0.0989","0.1084","","","","","","1.104","","","","has coordinates","250282","2020-10-21","18:00:00",""
"7703454","13.651","0.003","13.265","0.003","24.81","0.006","90","","90.453","0.003","90","","4492.5","1.8","250","2","250.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H68 B3 Dy O5 -","- C44 H68 B3 Dy O5 -","- C176 H272 B12 Dy4 O20 -","4","1","","Yu, Ke-Xin; Ding, You-Song; Zhai, Yuan-Qi; Han, Tian; Zheng, Yan-Zhen","Equatorial coordination optimization for enhanced axiality of mononuclear Dy(iii) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3222","3227","10.1039/d0dt00011f","","","0.71073","MoKα","","0.0916","0.0879","","","0.2253","0.2274","","","","","","1.218","","","","has coordinates","250282","2020-10-21","18:00:00",""
"7703455","13.6433","0.001","15.2982","0.0011","15.8757","0.0012","97.413","0.002","91.715","0.003","97.494","0.002","3254.1","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","(1,3-bis(2,6-diisopropylphenyl)-5-phenyl-2,3-dihydro-1H-1,2,3-triazol-4-yl)(1-(2,6-diisopropylphenyl)-3-(2-ethyl-6-isopropylphenyl)-5-phenyl-2,3-dihydro-1H-1,2,3-triazol-4-yl)cobalt(II) chloride","","- C64 H78 Cl2 Co N6 -","- C64 H78 Cl2 Co N6 -","- C128 H156 Cl4 Co2 N12 -","2","1","","Mantanona, Alex J.; Tolentino, Daniel R.; Cay, Kristine S.; Gembicky, Milan; Jazzar, Rodolphe; Bertrand, Guy; Rinehart, Jeffrey D.","Tuning electronic structure through halide modulation of mesoionic carbene cobalt complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2426","2430","10.1039/c9dt04624k","","x-ray","0.71073","MoKα","","0.0811","0.0448","","","0.0946","0.1063","","","","","","1.036","","","","has coordinates","248920","2020-10-21","18:00:00",""
"7703456","12.5223","0.0007","19.704","0.0011","24.1592","0.0013","90","","91.489","0.001","90","","5959","0.6","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1,3-bis(2,6-diisopropylphenyl)-5-phenyl-2,3-dihydro-1H-1,2,3-triazol-4-yl)(1-(2,6-diisopropylphenyl)-3-(2-ethyl-6-isopropylphenyl)-5-phenyl-2,3-dihydro-1H-1,2,3-triazol-4-yl)cobalt(II) bromide","","- C64 H78 Br2 Co N6 -","- C64 H78 Br2 Co N6 -","- C256 H312 Br8 Co4 N24 -","4","1","","Mantanona, Alex J.; Tolentino, Daniel R.; Cay, Kristine S.; Gembicky, Milan; Jazzar, Rodolphe; Bertrand, Guy; Rinehart, Jeffrey D.","Tuning electronic structure through halide modulation of mesoionic carbene cobalt complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2426","2430","10.1039/c9dt04624k","","x-ray","0.71073","MoKα","","0.1206","0.0509","","","0.087","0.1067","","","","","","1.004","","","","has coordinates","248920","2020-10-21","18:00:00",""
"7703457","17.2279","0.0005","17.4336","0.0005","20.9343","0.0006","90","","90","","90","","6287.5","0.3","100","2","100","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","(1,3-bis(2,6-diisopropylphenyl)-5-phenyl-2,3-dihydro-1H-1,2,3-triazol-4-yl)(1-(2,6-diisopropylphenyl)-3-(2-ethyl-6-isopropylphenyl)-5-phenyl-2,3-dihydro-1H-1,2,3-triazol-4-yl)cobalt(II) iodide","","- C68 H86 Co I2 N6 O -","- C68 H86 Co I2 N6 O -","- C272 H344 Co4 I8 N24 O4 -","4","0.5","","Mantanona, Alex J.; Tolentino, Daniel R.; Cay, Kristine S.; Gembicky, Milan; Jazzar, Rodolphe; Bertrand, Guy; Rinehart, Jeffrey D.","Tuning electronic structure through halide modulation of mesoionic carbene cobalt complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2426","2430","10.1039/c9dt04624k","","x-ray","0.71073","MoKα","","0.0609","0.0407","","","0.0947","0.1084","","","","","","1.028","","","","has coordinates,has disorder","248920","2020-10-21","18:00:00",""
"7703458","13.798","0.003","12.135","0.002","15.46","0.003","90","","91.923","0.003","90","","2587.1","0.9","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 Br2 Cl F6 Ir N4 P -","- C20 H27 Br2 Cl F6 Ir N4 P -","- C80 H108 Br8 Cl4 F24 Ir4 N16 P4 -","4","1","","Volpe, Andrea; Natali, Mirco; Graiff, Claudia; Sartorel, Andrea; Tubaro, Cristina; Bonchio, Marcella","Novel iridium complexes with N-heterocyclic dicarbene ligands in light-driven water oxidation catalysis: photon management, ligand effect and catalyst evolution.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2696","2705","10.1039/c9dt04841c","","","0.71073","MoKα","","0.0672","0.038","","","0.078","0.0905","","","","","","0.982","","","","has coordinates,has disorder","248925","2020-10-21","18:00:00",""
"7703459","14.439","0.003","12.898","0.003","15.652","0.003","90","","92.895","0.003","90","","2911.2","1.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 Cl F6 Ir N4 P -","- C28 H33 Cl F6 Ir N4 P -","- C112 H132 Cl4 F24 Ir4 N16 P4 -","4","1","","Volpe, Andrea; Natali, Mirco; Graiff, Claudia; Sartorel, Andrea; Tubaro, Cristina; Bonchio, Marcella","Novel iridium complexes with N-heterocyclic dicarbene ligands in light-driven water oxidation catalysis: photon management, ligand effect and catalyst evolution.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2696","2705","10.1039/c9dt04841c","","","0.71073","MoKα","","0.057","0.0276","","","0.0518","0.0613","","","","","","1.012","","","","has coordinates","248925","2020-10-21","18:00:00",""
"7703460","10.4442","0.0006","11.2777","0.0005","14.8434","0.0008","103.166","0.002","107.531","0.002","102.434","0.002","1545.57","0.14","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N4 O15 Zn2 -","- C30 H24 N4 O15 Zn2 -","- C60 H48 N8 O30 Zn4 -","2","1","","Li, Xiao-Nan; Tu, Zu-Ming; Li, Li; Wang, Zhi-Hui; Zhang, Hong","A novel viologen-based coordination polymer with multi-stimuli responsive chromic properties: photochromism, thermochromism, chemochromism and electrochromism.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3228","3233","10.1039/c9dt04699b","","","0.71073","MoKα","","0.0473","0.0338","","","0.0915","0.1082","","","","","","1.119","","","","has coordinates","250274","2020-10-21","18:00:00",""
"7703461","14.358","0.001","15.795","0.001","16.772","0.002","101.67","0.01","109.39","0.01","112.53","0.01","3068","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H74 Fe N2 P2 Si4 -","- C56 H74 Fe N2 P2 Si4 -","- C112 H148 Fe2 N4 P4 Si8 -","2","1","","Kneusels, Nis-Julian H; Münzer, Jörn E; Flosdorf, Kimon; Jiang, Dandan; Neumüller, Bernhard; Zhao, Lili; Eichhöfer, Andreas; Frenking, Gernot; Kuzu, Istemi","Double donation in trigonal planar iron-carbodiphosphorane complexes - a concise study on their spectroscopic and electronic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2537","2546","10.1039/c9dt04725e","","x-ray","0.71073","MoKα","K-L~3~","0.0732","0.0435","","","0.0957","0.1057","","","","","","1.016","","","","has coordinates,has disorder","288543","2023-12-24","01:32:01",""
"7703462","11.215","0.001","13.123","0.001","16.998","0.001","88.64","0.01","83.8","0.01","71.76","0.01","2361.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H69 Fe N2 P2 Si4 -","- C42 H69 Fe N2 P2 Si4 -","- C84 H138 Fe2 N4 P4 Si8 -","2","1","","Kneusels, Nis-Julian H; Münzer, Jörn E; Flosdorf, Kimon; Jiang, Dandan; Neumüller, Bernhard; Zhao, Lili; Eichhöfer, Andreas; Frenking, Gernot; Kuzu, Istemi","Double donation in trigonal planar iron-carbodiphosphorane complexes - a concise study on their spectroscopic and electronic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2537","2546","10.1039/c9dt04725e","","","0.71073","MoKα","","0.0351","0.0287","","","0.0745","0.0769","","","","","","1.041","","","","has coordinates","248922","2020-10-21","18:00:00",""
"7703463","12.311","0.0008","16.4794","0.0007","21.9452","0.001","90","","90","","90","","4452.2","0.4","180.15","","180.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H62 Fe N2 P2 Si4 -","- C39 H62 Fe N2 P2 Si4 -","- C156 H248 Fe4 N8 P8 Si16 -","4","1","","Kneusels, Nis-Julian H; Münzer, Jörn E; Flosdorf, Kimon; Jiang, Dandan; Neumüller, Bernhard; Zhao, Lili; Eichhöfer, Andreas; Frenking, Gernot; Kuzu, Istemi","Double donation in trigonal planar iron-carbodiphosphorane complexes - a concise study on their spectroscopic and electronic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2537","2546","10.1039/c9dt04725e","","x-ray","0.71073","MoKα","","0.0339","0.0268","","","0.0535","0.0549","","","","","","0.921","","","","has coordinates","248922","2020-10-21","18:00:00",""
"7703464","8.5139","0.001","10.7443","0.0012","14.4956","0.0016","70.49","0.001","73.694","0.001","71.332","0.001","1161.4","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H23 Cl3 N4 O9 Pd2 -","- C13 H23 Cl3 N4 O9 Pd2 -","- C26 H46 Cl6 N8 O18 Pd4 -","2","1","","Jiao, Yang; Hong, Jin; Chen, Yuncong; Zhang, Yuming; Guo, Zijian; Han, Zhong; He, Weijiang","A novel binuclear Pd(ii) complex displaying synergic peptide cleavage behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3164","3173","10.1039/d0dt00130a","","","0.71073","MoKα","","0.0504","0.0406","","","0.106","0.1106","","","","","","1.018","","","","has coordinates,has disorder","250270","2020-10-21","18:00:00",""
"7703465","12.5487","0.0009","17.098","0.0012","21.7789","0.0016","79.764","0.002","87.198","0.002","88.546","0.002","4592.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H70 Si2 Zr -","- C48 H70 Si2 Zr -","- C192 H280 Si8 Zr4 -","4","2","","Heitkemper, Tobias; Naß, Leonard; Sindlinger, Christian P.","2,5-Bis-trimethylsilyl substituted boroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2706","2714","10.1039/d0dt00393j","","","0.56086","AgKα","","0.0652","0.0394","","","0.0824","0.0904","","","","","","1.022","","","","has coordinates,has disorder","248917","2020-10-21","18:00:00",""
"7703466","13.5409","0.0007","13.9254","0.0007","14.2996","0.0007","108.309","0.002","108.132","0.002","90.795","0.002","2414.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H70 B F5 O Si2 -","- C48 H70 B F5 O Si2 -","- C96 H140 B2 F10 O2 Si4 -","2","1","","Heitkemper, Tobias; Naß, Leonard; Sindlinger, Christian P.","2,5-Bis-trimethylsilyl substituted boroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2706","2714","10.1039/d0dt00393j","","","0.71073","MoKα","","0.0652","0.0488","","","0.1253","0.1365","","","","","","1.022","","","","has coordinates,has disorder","248917","2020-10-21","18:00:00",""
"7703467","10.4219","0.0005","11.1194","0.0005","19.8329","0.0009","74.0185","0.0019","79.046","0.002","72.581","0.002","2093.63","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H60 I2 Si2 -","- C38 H60 I2 Si2 -","- C76 H120 I4 Si4 -","2","1","","Heitkemper, Tobias; Naß, Leonard; Sindlinger, Christian P.","2,5-Bis-trimethylsilyl substituted boroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2706","2714","10.1039/d0dt00393j","","","0.56086","AgKα","","0.0447","0.0328","","","0.0752","0.0818","","","","","","1.021","","","","has coordinates,has disorder","248917","2020-10-21","18:00:00",""
"7703468","12.9527","0.001","26.578","0.002","12.273","0.001","90","","114.341","0.002","90","","3849.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H66 Si2 -","- C41 H66 Si2 -","- C164 H264 Si8 -","4","1","","Heitkemper, Tobias; Naß, Leonard; Sindlinger, Christian P.","2,5-Bis-trimethylsilyl substituted boroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2706","2714","10.1039/d0dt00393j","","","0.56086","AgKα","","0.0777","0.0468","","","0.1001","0.1131","","","","","","1.041","","","","has coordinates","248917","2020-10-21","18:00:00",""
"7703469","11.8487","0.0005","12.8443","0.0005","15.9399","0.0007","84.482","0.002","70.627","0.002","62.679","0.001","2028.67","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H66 Si2 Sn -","- C40 H66 Si2 Sn -","- C80 H132 Si4 Sn2 -","2","1","","Heitkemper, Tobias; Naß, Leonard; Sindlinger, Christian P.","2,5-Bis-trimethylsilyl substituted boroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2706","2714","10.1039/d0dt00393j","","","0.56086","AgKα","","0.0292","0.0261","","","0.0688","0.0723","","","","","","1.112","","","","has coordinates","248917","2020-10-21","18:00:00",""
"7703470","11.7378","0.0004","12.4676","0.0004","26.4693","0.0009","90","","99.127","0.001","90","","3824.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H60 B Cl Si2 -","- C38 H60 B Cl Si2 -","- C152 H240 B4 Cl4 Si8 -","4","1","","Heitkemper, Tobias; Naß, Leonard; Sindlinger, Christian P.","2,5-Bis-trimethylsilyl substituted boroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2706","2714","10.1039/d0dt00393j","","","0.56086","AgKα","","0.0566","0.0421","","","0.1001","0.1071","","","","","","1.077","","","","has coordinates","248917","2020-10-21","18:00:00",""
"7703471","13.7584","0.0009","14.0442","0.0009","14.1442","0.0009","67.341","0.001","73.098","0.001","87.994","0.001","2403.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H78 B Si2 -","- C50 H78 B Si2 -","- C100 H156 B2 Si4 -","2","1","","Heitkemper, Tobias; Naß, Leonard; Sindlinger, Christian P.","2,5-Bis-trimethylsilyl substituted boroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2706","2714","10.1039/d0dt00393j","","","0.71073","MoKα","","0.0846","0.0533","","","0.1254","0.1397","","","","","","1.021","","","","has coordinates","248917","2020-10-21","18:00:00",""
"7703472","12.1327","0.0009","17.933","0.0013","19.8813","0.0014","78.173","0.002","73.231","0.002","73.259","0.002","3931","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H120 Li4 Si4 -","- C76 H120 Li4 Si4 -","- C152 H240 Li8 Si8 -","2","1","","Heitkemper, Tobias; Naß, Leonard; Sindlinger, Christian P.","2,5-Bis-trimethylsilyl substituted boroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2706","2714","10.1039/d0dt00393j","","","0.71073","MoKα","","0.0504","0.0391","","","0.0962","0.1043","","","","","","1.024","","","","has coordinates,has disorder","248917","2020-10-21","18:00:00",""
"7703473","12.0043","0.0007","20.473","0.0012","20.6672","0.0012","101.047","0.003","90.377","0.003","91.41","0.003","4983.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H70 B2 Cl2 Si2 -","- C50 H70 B2 Cl2 Si2 -","- C200 H280 B8 Cl8 Si8 -","4","2","","Heitkemper, Tobias; Naß, Leonard; Sindlinger, Christian P.","2,5-Bis-trimethylsilyl substituted boroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2706","2714","10.1039/d0dt00393j","","","0.71073","MoKα","","0.0909","0.0648","","","0.1478","0.1613","","","","","","1.032","","","","has coordinates,has disorder","248917","2020-10-21","18:00:00",""
"7703474","17.5775","0.0017","21.32","0.002","16.318","0.003","90","","114.605","0.002","90","","5559.9","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C57 H93 B Si2 -","- C57 H93 B Si2 -","- C228 H372 B4 Si8 -","4","0.5","","Heitkemper, Tobias; Naß, Leonard; Sindlinger, Christian P.","2,5-Bis-trimethylsilyl substituted boroles.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2706","2714","10.1039/d0dt00393j","","","0.71073","MoKα","","0.076","0.0655","","","0.1854","0.2018","","","","","","1.045","","","","has coordinates,has disorder","248917","2020-10-21","18:00:00",""
"7703475","10.532","0.003","11.125","0.003","17.118","0.004","90","","102.943","0.004","90","","1954.7","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 Bi O5 Pt S5 -","- C10 H15 Bi O5 Pt S5 -","- C40 H60 Bi4 O20 Pt4 S20 -","4","1","","Yoshida, Takefumi; Ahsan, Habib Md; Zhang, Hai-Tao; Izuogu, David Chukwuma; Abe, Hitoshi; Ohtsu, Hiroyoshi; Yamaguchi, Tadashi; Breedlove, Brian K.; Thom, Alex J. W.; Yamashita, Masahiro","Ionic-caged heterometallic bismuth-platinum complex exhibiting electrocatalytic CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2652","2660","10.1039/c9dt04817k","","","0.71073","MoKα","","0.0585","0.0413","","","0.0956","0.1013","","","","","","0.958","","","","has coordinates","248918","2020-10-21","18:00:00",""
"7703476","15.581","0.008","7.767","0.004","16.411","0.008","90","","92.502","0.008","90","","1984.1","1.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl F3 Ir N -","- C22 H22 Cl F3 Ir N -","- C88 H88 Cl4 F12 Ir4 N4 -","4","1","","Davies, David L.; Singh, Kuldip; Tamosiunaite, Neringa","Steric and electronic effects on acetate-assisted cyclometallation of 2-phenylpyridines at [MCl<sub>2</sub>Cp*]<sub>2</sub> (M = Ir, Rh).","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2680","2686","10.1039/c9dt04581c","","","0.71073","MoKα","","0.0676","0.0476","","","0.0904","0.0959","","","","","","1.04","","","","has coordinates,has disorder","248928","2020-10-21","18:00:00",""
"7703477","7.3923","0.0014","14.787","0.003","16.815","0.003","90","","96.99","0.003","90","","1824.4","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Cl F N Rh -","- C21 H22 Cl F N Rh -","- C84 H88 Cl4 F4 N4 Rh4 -","4","1","","Davies, David L.; Singh, Kuldip; Tamosiunaite, Neringa","Steric and electronic effects on acetate-assisted cyclometallation of 2-phenylpyridines at [MCl<sub>2</sub>Cp*]<sub>2</sub> (M = Ir, Rh).","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2680","2686","10.1039/c9dt04581c","","","0.71073","MoKα","","0.0383","0.0311","","","0.0724","0.0747","","","","","","1.076","","","","has coordinates,has disorder","248928","2020-10-21","18:00:00",""
"7703478","7.477","0.003","14.699","0.005","17.404","0.006","90","","101.337","0.006","90","","1875.5","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cl F Ir N -","- C21 H22 Cl F Ir N -","- C84 H88 Cl4 F4 Ir4 N4 -","4","1","","Davies, David L.; Singh, Kuldip; Tamosiunaite, Neringa","Steric and electronic effects on acetate-assisted cyclometallation of 2-phenylpyridines at [MCl<sub>2</sub>Cp*]<sub>2</sub> (M = Ir, Rh).","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2680","2686","10.1039/c9dt04581c","","","0.71073","MoKα","","0.0474","0.037","","","0.0775","0.0807","","","","","","1.016","","","","has coordinates","248928","2020-10-21","18:00:00",""
"7703479","7.6543","0.0015","8.0979","0.0016","26.554","0.005","90","","90.64","0.03","90","","1645.8","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H19 Mg N O12 P2 S -","- C9 H19 Mg N O12 P2 S -","- C36 H76 Mg4 N4 O48 P8 S4 -","4","1","","Wöhlbrandt, Stephan; Igeska, Angela; Svensson Grape, Erik; Øien-Ødegaard, Sigurd; Ken Inge, A.; Stock, Norbert","Permanent porosity and role of sulfonate groups in coordination networks constructed from a new polyfunctional phosphonato-sulfonate linker molecule.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2724","2733","10.1039/c9dt04571f","","","0.71073","MoKα","","0.0352","0.0322","","","0.0861","0.088","","","","","","1.052","","","","has coordinates","248910","2020-10-21","18:00:00",""
"7703480","15.596","0.003","24.683","0.005","8.749","0.0017","90","","90","","90","","3368","1.1","170","","170.15","","","","","","","","","7","A m a 2","A 2 -2a","40","","","","- C18 H20 Ba2 N2 O21 P4 S2 -","- C18 H22 Ba2 N2 O21 P4 S2 -","- C72 H88 Ba8 N8 O84 P16 S8 -","4","0.5","","Wöhlbrandt, Stephan; Igeska, Angela; Svensson Grape, Erik; Øien-Ødegaard, Sigurd; Ken Inge, A.; Stock, Norbert","Permanent porosity and role of sulfonate groups in coordination networks constructed from a new polyfunctional phosphonato-sulfonate linker molecule.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2724","2733","10.1039/c9dt04571f","","","0.71073","MoKα","","0.0708","0.0662","","","0.1812","0.1867","","","","","","1.087","","","","has coordinates","248910","2020-10-21","18:00:00",""
"7703481","18.8531","0.0008","5.3729","0.0002","23.7906","0.001","90","","113.18","0.001","90","","2215.34","0.16","294","2","294.32","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H27 Mg2 N O17 P2 S -","- C9 H27 Mg2 N O17 P2 S -","- C36 H108 Mg8 N4 O68 P8 S4 -","4","1","","Wöhlbrandt, Stephan; Igeska, Angela; Svensson Grape, Erik; Øien-Ødegaard, Sigurd; Ken Inge, A.; Stock, Norbert","Permanent porosity and role of sulfonate groups in coordination networks constructed from a new polyfunctional phosphonato-sulfonate linker molecule.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2724","2733","10.1039/c9dt04571f","","","0.71073","MoKα","","0.0788","0.0536","","","0.1343","0.1474","","","","","","1.025","","","","has coordinates","248910","2020-10-21","18:00:00",""
"7703482","5.3434","0.0001","23.6346","0.0003","13.1707","0.0002","90","","91.839","0.001","90","","1662.46","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N O9.5 P2 Pb2 S -","- C9 H12 N O9.5 P2 Pb2 S -","- C36 H48 N4 O38 P8 Pb8 S4 -","4","1","","Wöhlbrandt, Stephan; Igeska, Angela; Svensson Grape, Erik; Øien-Ødegaard, Sigurd; Ken Inge, A.; Stock, Norbert","Permanent porosity and role of sulfonate groups in coordination networks constructed from a new polyfunctional phosphonato-sulfonate linker molecule.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2724","2733","10.1039/c9dt04571f","","","0.72932","synchrotron","","0.1808","0.1481","","","0.3646","0.39","","","","","","1.482","","","","has coordinates,has disorder","248910","2020-10-21","18:00:00",""
"7703483","25.3027","0.0002","25.3027","0.0002","25.8582","0.0003","90","","90","","90","","16555.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C18 H40 Co2 Dy3 N4 Na O33 -","- C18 H40 Co2 Dy3 N4 Na O33 -","- C288 H640 Co32 Dy48 N64 Na16 O528 -","16","1","","Lun, Hui-Jie; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Trigonal bipyramidal CoDy<sub>3</sub> cluster exhibiting single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2421","2425","10.1039/c9dt04600c","","x-ray","1.54184","CuKα","","0.0426","0.0363","","","0.0927","0.1044","","","","","","1.117","","","","has coordinates,has disorder","248930","2020-10-21","18:00:00",""
"7703484","9.2965","0.0003","11.2423","0.0003","15.8411","0.0005","90","","103.457","0.003","90","","1610.16","0.09","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu2 I2 N6 P2 -","- C30 H24 Cu2 I2 N6 P2 -","- C60 H48 Cu4 I4 N12 P4 -","2","0.5","","Baranov, Andrey Yu; Berezin, Alexey S.; Samsonenko, Denis G.; Mazur, Anton S.; Tolstoy, Peter M.; Plyusnin, Viktor F.; Kolesnikov, Ilya E.; Artem'ev, Alexander V.","New Cu(i) halide complexes showing TADF combined with room temperature phosphorescence: the balance tuned by halogens.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3155","3163","10.1039/d0dt00192a","","x-ray","0.71073","MoKα","","0.0325","0.0237","","","0.0464","0.0481","","","","","","1.022","","","","has coordinates","250273","2020-10-21","18:00:00",""
"7703485","8.744","0.0017","11.97","0.0006","15.25","0.0011","90","","103.73","0.03","90","","1550.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Br2 Cu2 N6 P2 -","- C30 H24 Br2 Cu2 N6 P2 -","- C60 H48 Br4 Cu4 N12 P4 -","2","0.5","","Baranov, Andrey Yu; Berezin, Alexey S.; Samsonenko, Denis G.; Mazur, Anton S.; Tolstoy, Peter M.; Plyusnin, Viktor F.; Kolesnikov, Ilya E.; Artem'ev, Alexander V.","New Cu(i) halide complexes showing TADF combined with room temperature phosphorescence: the balance tuned by halogens.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3155","3163","10.1039/d0dt00192a","","","0.79475","synchrotron","","0.0571","0.0449","","","0.117","0.1223","","","","","","1.066","","","","has coordinates","250273","2020-10-21","18:00:00",""
"7703486","9.3613","0.0003","11.3294","0.0004","15.9037","0.0005","90","","103.734","0.003","90","","1638.49","0.1","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu2 I2 N6 P2 -","- C30 H24 Cu2 I2 N6 P2 -","- C60 H48 Cu4 I4 N12 P4 -","2","0.5","","Baranov, Andrey Yu; Berezin, Alexey S.; Samsonenko, Denis G.; Mazur, Anton S.; Tolstoy, Peter M.; Plyusnin, Viktor F.; Kolesnikov, Ilya E.; Artem'ev, Alexander V.","New Cu(i) halide complexes showing TADF combined with room temperature phosphorescence: the balance tuned by halogens.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3155","3163","10.1039/d0dt00192a","","x-ray","0.71073","MoKα","","0.0339","0.0254","","","0.0523","0.0546","","","","","","1.027","","","","has coordinates","250273","2020-10-21","18:00:00",""
"7703487","8.7081","0.0002","11.8728","0.0002","14.9438","0.0004","90","","103.577","0.002","90","","1501.86","0.06","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Cl2 Cu2 N6 P2 -","- C30 H24 Cl2 Cu2 N6 P2 -","- C60 H48 Cl4 Cu4 N12 P4 -","2","0.5","","Baranov, Andrey Yu; Berezin, Alexey S.; Samsonenko, Denis G.; Mazur, Anton S.; Tolstoy, Peter M.; Plyusnin, Viktor F.; Kolesnikov, Ilya E.; Artem'ev, Alexander V.","New Cu(i) halide complexes showing TADF combined with room temperature phosphorescence: the balance tuned by halogens.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3155","3163","10.1039/d0dt00192a","","x-ray","0.71073","MoKα","","0.0303","0.0247","","","0.0625","0.0646","","","","","","1.044","","","","has coordinates","250273","2020-10-21","18:00:00",""
"7703488","36.2517","0.0002","6.78334","0.00005","13.08712","0.00007","90","","90","","90","","3218.22","0.03","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H56 B2 O2 P2 -","- C28 H56 B2 O2 P2 -","- C112 H224 B8 O8 P8 -","4","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","1.54184","CuKα","","0.0721","0.0711","","","0.2063","0.2077","","","","","","1.034","","","","has coordinates,has disorder","248964","2020-10-21","18:00:00",""
"7703489","12.40495","0.00016","13.12123","0.00013","39.362","0.0005","90","","90","","90","","6406.88","0.13","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H49 Cl2 O3 P2 Rh -","- C29 H49 Cl2 O3 P2 Rh -","- C232 H392 Cl16 O24 P16 Rh8 -","8","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","1.54184","CuKα","","0.0564","0.0514","","","0.1078","0.11","","","","","","1.267","","","","has coordinates,has disorder","248964","2020-10-21","18:00:00",""
"7703490","10.93786","0.00005","13.59304","0.00006","20.9333","0.00011","90","","90","","90","","3112.34","0.03","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H53 O P2 Rh -","- C31 H53 O P2 Rh -","- C124 H212 O4 P8 Rh4 -","4","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","1.54184","CuKα","","0.0194","0.0189","","","0.0484","0.0486","","","","","","1.074","","","","has coordinates","248964","2020-10-21","18:00:00",""
"7703491","11.62738","0.00006","11.80036","0.00005","24.50061","0.00012","90","","90","","90","","3361.66","0.03","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H53 Cl2 O P2 Rh -","- C31 H53 Cl2 O P2 Rh -","- C124 H212 Cl8 O4 P8 Rh4 -","4","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","1.54184","CuKα","","0.0181","0.017","","","0.0404","0.0408","","","","","","1.053","","","","has coordinates,has disorder","248964","2020-10-21","18:00:00",""
"7703492","15.09343","0.00009","12.86467","0.00007","32.65837","0.00016","90","","90.5535","0.0005","90","","6341.04","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H56 B2 O2 P2 -","- C28 H56 B2 O2 P2 -","- C224 H448 B16 O16 P16 -","8","2","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","1.54184","CuKα","","0.0442","0.0388","","","0.1031","0.1082","","","","","","1.021","","","","has coordinates,has disorder","248964","2020-10-21","18:00:00",""
"7703493","20.85015","0.00015","10.67243","0.00011","13.58703","0.00012","90","","90","","90","","3023.41","0.05","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C29 H49 O3 P2 Rh -","- C29 H49 O3 P2 Rh -","- C116 H196 O12 P8 Rh4 -","4","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","1.54184","CuKα","","0.0482","0.0474","","","0.1283","0.1297","","","","","","1.063","","","","has coordinates","248964","2020-10-21","18:00:00",""
"7703494","10.91013","0.00011","13.58277","0.00017","20.9292","0.0002","90","","90","","90","","3101.49","0.06","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H53 Ir O P2 -","- C31 H53 Ir O P2 -","- C124 H212 Ir4 O4 P8 -","4","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","0.71073","MoKα","","0.0166","0.0154","","","0.0338","0.0343","","","","","","1.07","","","","has coordinates","248964","2020-10-21","18:00:00",""
"7703495","20.8772","0.0002","10.65296","0.00008","13.56659","0.00011","90","","90","","90","","3017.26","0.04","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C29 H49 Ir O3 P2 -","- C29 H49 Ir O3 P2 -","- C116 H196 Ir4 O12 P8 -","4","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","1.54184","CuKα","","0.0205","0.0192","","","0.0464","0.0467","","","","","","1.075","","","","has coordinates","248964","2020-10-21","18:00:00",""
"7703496","11.6548","0.0002","11.78332","0.00018","24.5327","0.0004","90","","90","","90","","3369.13","0.09","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H53 Cl2 Ir O P2 -","- C31 H53 Cl2 Ir O P2 -","- C124 H212 Cl8 Ir4 O4 P8 -","4","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","0.71073","MoKα","","0.02","0.018","","","0.0377","0.0384","","","","","","1.058","","","","has coordinates,has disorder","248964","2020-10-21","18:00:00",""
"7703497","12.4393","0.0002","13.2278","0.0002","39.2327","0.0007","90","","90","","90","","6455.53","0.18","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H49 Cl2 Ir O3 P2 -","- C29 H49 Cl2 Ir O3 P2 -","- C232 H392 Cl16 Ir8 O24 P16 -","8","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","1.54184","CuKα","","0.0748","0.0677","","","0.1237","0.126","","","","","","1.445","","","","has coordinates,has disorder","248964","2020-10-21","18:00:00",""
"7703498","31.733","0.005","31.733","0.005","31.733","0.005","90","","90","","90","","31955","9","293","","293","","","","","","","","","3","F 2 3","F 2 2 3","196","","","CAU-42","- C288 Al24 O114 -","- C288 Al24 O114 -","- C576 Al48 O228 -","2","0.0416667","","Leubner, S.; Bengtsson, V. E. G.; Inge, A. K.; Wahiduzzaman, M.; Steinke, F.; Jaworski, A.; Xu, H.; Halis, S.; Rönfeldt, P; Reinsch, H.; Maurin, G.; Zou, X.; Stock, N.","Hexahydroxytriphenylene for the synthesis of group 13 MOFs - a new inorganic building unit in a β-cristobalite type structure.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3088","3092","10.1039/d0dt00235f","powder diffraction","","1.5406","CuKα1","","","","","","","","","0.0276","1.7612","","","","","","","has coordinates","250281","2020-10-21","18:00:00",""
"7703499","9.105","0.005","11.571","0.005","27.397","0.005","90","0.005","90","0.005","90","0.005","2886","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 F6 N O6 -","- C31 H25 F6 N O6 -","- C124 H100 F24 N4 O24 -","4","1","","Han, Guoying; Zhou, Yanyan; Yao, Yuan; Cheng, Zhenyu; Gao, Ting; Li, Hongfeng; Yan, Pengfei","Preorganized helical chirality controlled homochiral self-assembly and circularly polarized luminescence of a quadruple-stranded Eu<sub>2</sub>L<sub>4</sub> helicate.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3312","3320","10.1039/d0dt00062k","","","0.71069","MoKα","","0.0987","0.0608","","","0.1594","0.1962","","","","","","1.049","","","","has coordinates","250284","2020-10-21","18:00:00",""
"7703500","9.103","0.005","11.578","0.005","27.425","0.005","90","0.005","90","0.005","90","0.005","2890","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 F6 N O6 -","- C31 H25 F6 N O6 -","- C124 H100 F24 N4 O24 -","4","1","","Han, Guoying; Zhou, Yanyan; Yao, Yuan; Cheng, Zhenyu; Gao, Ting; Li, Hongfeng; Yan, Pengfei","Preorganized helical chirality controlled homochiral self-assembly and circularly polarized luminescence of a quadruple-stranded Eu<sub>2</sub>L<sub>4</sub> helicate.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3312","3320","10.1039/d0dt00062k","","","0.71069","MoKα","","0.1087","0.06","","","0.1513","0.1888","","","","","","1.022","","","","has coordinates","250284","2020-10-21","18:00:00",""
"7703501","8.1561","0.0004","9.8581","0.0005","12.6906","0.0007","67.214","0.001","81.507","0.001","80.456","0.001","923.8","0.08","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H52 N4 -","- C44 H52 N4 -","- C44 H52 N4 -","1","0.5","","Ju, Huiyeong; Tenma, Honoka; Iwase, Miki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Inclusion of alkyl nitriles by tetra-armed cyclens with styrylmethyl groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3112","3119","10.1039/d0dt00335b","","","0.71073","MoKα","","0.0486","0.0395","","","0.107","0.1159","","","","","","1.013","","","","has coordinates","250271","2020-10-21","18:00:00",""
"7703502","9.37","0.006","9.873","0.006","12.853","0.008","101.209","0.01","110.101","0.01","100.626","0.01","1053.8","1.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H60 N4 O4 -","- C48 H60 N4 O4 -","- C48 H60 N4 O4 -","1","0.5","","Ju, Huiyeong; Tenma, Honoka; Iwase, Miki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Inclusion of alkyl nitriles by tetra-armed cyclens with styrylmethyl groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3112","3119","10.1039/d0dt00335b","","","0.71073","MoKα","","0.1112","0.0729","","","0.1754","0.2064","","","","","","0.98","","","","has coordinates","250271","2020-10-21","18:00:00",""
"7703503","10.0234","0.0003","10.3546","0.0003","22.0904","0.0007","97.2008","0.0004","95.9244","0.0005","92.3991","0.0005","2259","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H51 Ag F7 N5 O3 S -","- C47 H51 Ag F7 N5 O3 S -","- C94 H102 Ag2 F14 N10 O6 S2 -","2","1","","Ju, Huiyeong; Tenma, Honoka; Iwase, Miki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Inclusion of alkyl nitriles by tetra-armed cyclens with styrylmethyl groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3112","3119","10.1039/d0dt00335b","","","0.71073","MoKα","","0.0294","0.026","","","0.0672","0.0741","","","","","","1.043","","","","has coordinates","250271","2020-10-21","18:00:00",""
"7703504","17.4039","0.001","28.4415","0.0016","8.1734","0.0004","90","","90","","90","","4045.8","0.4","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C44 H52 Co N6 O6 -","- C44 H52 Co N6 O6 -","- C176 H208 Co4 N24 O24 -","4","0.5","","Ju, Huiyeong; Tenma, Honoka; Iwase, Miki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Inclusion of alkyl nitriles by tetra-armed cyclens with styrylmethyl groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3112","3119","10.1039/d0dt00335b","","","0.71073","MoKα","","0.0569","0.0429","","","0.1085","0.1181","","","","","","1.035","","","","has coordinates,has disorder","250271","2020-10-21","18:00:00",""
"7703505","17.703","0.002","17.703","0.002","14.619","0.003","90","","90","","90","","4581.5","1.2","120","2","120","2","","","","","","","","3","P -4","P -4","81","","","","- C52 H72 N8 -","- C52 H72 N8 -","- C208 H288 N32 -","4","1","","Ju, Huiyeong; Tenma, Honoka; Iwase, Miki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Inclusion of alkyl nitriles by tetra-armed cyclens with styrylmethyl groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3112","3119","10.1039/d0dt00335b","","","0.71073","MoKα","","0.2344","0.099","","","0.2147","0.2843","","","","","","1.03","","","","has coordinates","250271","2020-10-21","18:00:00",""
"7703506","18.948","0.003","26.442","0.004","9.008","0.0013","90","","91.789","0.002","90","","4511","1.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 Cd Cl2 N6 O6 -","- C46 H56 Cd Cl2 N6 O6 -","- C184 H224 Cd4 Cl8 N24 O24 -","4","1","","Ju, Huiyeong; Tenma, Honoka; Iwase, Miki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Inclusion of alkyl nitriles by tetra-armed cyclens with styrylmethyl groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3112","3119","10.1039/d0dt00335b","","","0.71073","MoKα","","0.1172","0.0668","","","0.1608","0.2008","","","","","","1.015","","","","has coordinates","250271","2020-10-21","18:00:00",""
"7703507","9.8867","0.0006","43.59","0.002","10.084","0.0006","90","","91.9702","0.0012","90","","4343.2","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H55 Ag F6 N5 P -","- C46 H55 Ag F6 N5 P -","- C184 H220 Ag4 F24 N20 P4 -","4","1","","Ju, Huiyeong; Tenma, Honoka; Iwase, Miki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Inclusion of alkyl nitriles by tetra-armed cyclens with styrylmethyl groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3112","3119","10.1039/d0dt00335b","","","0.71073","MoKα","","0.0678","0.0447","","","0.0976","0.116","","","","","","1.016","","","","has coordinates","250271","2020-10-21","18:00:00",""
"7703508","13.6723","0.0005","13.6784","0.0005","14.1978","0.0005","71.0716","0.0005","86.927","0.0006","89.7603","0.0006","2507.77","0.16","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H51 Ag F3 N9 O11 S -","- C47 H51 Ag F3 N9 O11 S -","- C94 H102 Ag2 F6 N18 O22 S2 -","2","1","","Ju, Huiyeong; Tenma, Honoka; Iwase, Miki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Inclusion of alkyl nitriles by tetra-armed cyclens with styrylmethyl groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3112","3119","10.1039/d0dt00335b","","","0.71073","MoKα","","0.0579","0.0493","","","0.1306","0.1384","","","","","","1.021","","","","has coordinates","250271","2020-10-21","18:00:00",""
"7703509","26.6838","0.001","26.6838","0.001","12.9979","0.0007","90","","90","","90","","9254.8","0.7","100","2","100","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C88 H224 Cl8 Cu12 N16 Na2 O115 Zn4 -","- C88 H224 Cl8 Cu12 N16 Na2 O115 Zn4 -","- C176 H448 Cl16 Cu24 N32 Na4 O230 Zn8 -","2","0.25","","Iman, Khushboo; Shahid, M.; Ahmad, Musheer","A novel self-assembled Na{Cu<sub>12</sub>Zn<sub>4</sub>} multifunctional material: first report of a discrete coordination compound for detection of Ca<sup>2+</sup> ions and selective adsorption of cationic dyes in water.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3423","3433","10.1039/c9dt04461b","","","0.71073","MoKα","","0.0847","0.0599","","","0.1703","0.2098","","","","","","1.1326","","","","has coordinates","250298","2020-10-21","18:00:00",""
"7703510","6.2509","0.0008","7.0944","0.0009","20.747","0.003","90","","90","","90","","920.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Gd H6 N O11 Se2 -","- Gd H6 N O11 Se2 -","- Gd4 H24 N4 O44 Se8 -","4","1","","Wu, Chao; Li, Longhua; Lin, Lin; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","Gd(NO<sub>3</sub>)(Se<sub>2</sub>O<sub>5</sub>)·3H<sub>2</sub>O: a nitrate-selenite nonlinear optical material with a short ultraviolet cutoff edge.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3253","3259","10.1039/d0dt00116c","","","0.71073","MoKα","","0.0484","0.0403","","","0.0815","0.0842","","","","","","1.11","","","","has coordinates","250276","2020-10-21","18:00:00",""
"7703511","9.3079","0.0006","9.6561","0.0006","13.8605","0.0008","75.823","0.001","80.958","0.001","61.586","0.001","1061.11","0.11","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cl2 Si Zr -","- C24 H26 Cl2 Si Zr -","- C48 H52 Cl4 Si2 Zr2 -","2","1","","Uborsky, Dmitry V.; Mladentsev, Dmitry Y.; Guzeev, Bogdan A.; Borisov, Ilya S.; Vittoria, Antonio; Ehm, Christian; Cipullo, Roberta; Hendriksen, Coen; Friederichs, Nic; Busico, Vincenzo; Voskoboynikov, Alexander Z.","C<sub>1</sub>-Symmetric Si-bridged (2-indenyl)(1-indenyl) ansa-metallocenes as efficient ethene/1-hexene copolymerization catalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","3015","3025","10.1039/c9dt04896k","","","0.71073","MoKα","","0.0339","0.028","","","0.0661","0.069","","","","","","1.023","","","","has coordinates","248984","2020-10-21","18:00:00",""
"7703512","10.1061","0.0004","10.6032","0.0004","24.5397","0.001","90","","96.988","0.001","90","","2610.07","0.18","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Cl2 Si Zr -","- C32 H26 Cl2 Si Zr -","- C128 H104 Cl8 Si4 Zr4 -","4","1","","Uborsky, Dmitry V.; Mladentsev, Dmitry Y.; Guzeev, Bogdan A.; Borisov, Ilya S.; Vittoria, Antonio; Ehm, Christian; Cipullo, Roberta; Hendriksen, Coen; Friederichs, Nic; Busico, Vincenzo; Voskoboynikov, Alexander Z.","C<sub>1</sub>-Symmetric Si-bridged (2-indenyl)(1-indenyl) ansa-metallocenes as efficient ethene/1-hexene copolymerization catalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","3015","3025","10.1039/c9dt04896k","","","0.71073","MoKα","","0.0363","0.0271","","","0.066","0.0713","","","","","","1.052","","","","has coordinates","248984","2020-10-21","18:00:00",""
"7703513","16.243","0.005","7.354","0.002","21.148","0.008","90","","93.548","0.01","90","","2521.3","1.4","115","2","115","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cl2 F6 N5 O P Ru S -","- C21 H16 Cl2 F6 N5 O P Ru S -","- C84 H64 Cl8 F24 N20 O4 P4 Ru4 S4 -","4","1","","Labra-Vázquez, Pablo; Bocé, Mathilde; Tassé, Marine; Mallet-Ladeira, Sonia; Lacroix, Pascal G.; Farfán, Norberto; Malfant, Isabelle","Chemical and photochemical behavior of ruthenium nitrosyl complexes with terpyridine ligands in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3138","3154","10.1039/c9dt04832d","","","0.71073","MoKα","","0.0413","0.0305","","","0.0665","0.0715","","","","","","1.044","","","","has coordinates","250279","2020-10-21","18:00:00",""
"7703514","11.012","0.002","11.092","0.002","11.139","0.002","75.537","0.007","79.228","0.007","70.732","0.007","1235.5","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H20 Cl F6 N4 O2 P Ru -","- C23 H20 Cl F6 N4 O2 P Ru -","- C46 H40 Cl2 F12 N8 O4 P2 Ru2 -","2","1","","Labra-Vázquez, Pablo; Bocé, Mathilde; Tassé, Marine; Mallet-Ladeira, Sonia; Lacroix, Pascal G.; Farfán, Norberto; Malfant, Isabelle","Chemical and photochemical behavior of ruthenium nitrosyl complexes with terpyridine ligands in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3138","3154","10.1039/c9dt04832d","","","0.71073","MoKα","","0.046","0.0341","","","0.0801","0.0863","","","","","","1.048","","","","has coordinates,has disorder","250279","2020-10-21","18:00:00",""
"7703515","13.3561","0.0005","14.1266","0.0005","14.3152","0.0005","104.972","0.0016","96.3207","0.0016","97.3251","0.0017","2558.96","0.16","113","","113","","","","","","","","","9","P -1","-P 1","2","","","","- C21 H16 Cl2 F6 N5 O1.25 P Ru S -","- C21 H16 Cl2 F6 N5 O1.25 P Ru S -","- C84 H64 Cl8 F24 N20 O5 P4 Ru4 S4 -","4","2","","Labra-Vázquez, Pablo; Bocé, Mathilde; Tassé, Marine; Mallet-Ladeira, Sonia; Lacroix, Pascal G.; Farfán, Norberto; Malfant, Isabelle","Chemical and photochemical behavior of ruthenium nitrosyl complexes with terpyridine ligands in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3138","3154","10.1039/c9dt04832d","","","0.71073","MoKα","","0.0397","0.0352","","0.0622","0.0469","0.041","","","","","","1.0407","","","","has coordinates","250279","2020-10-21","18:00:00",""
"7703516","22.949","0.0008","16.5682","0.0007","14.219","0.0006","90","","112.002","0.0012","90","","5012.7","0.3","110","","110","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Cl F6 N5 O2 P Ru S -","- C21 H17 Cl F6 N5 O2 P Ru S -","- C168 H136 Cl8 F48 N40 O16 P8 Ru8 S8 -","8","1","","Labra-Vázquez, Pablo; Bocé, Mathilde; Tassé, Marine; Mallet-Ladeira, Sonia; Lacroix, Pascal G.; Farfán, Norberto; Malfant, Isabelle","Chemical and photochemical behavior of ruthenium nitrosyl complexes with terpyridine ligands in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3138","3154","10.1039/c9dt04832d","","","0.71073","MoKα","","0.0271","0.0214","","0.2002","0.0361","0.0257","","","","","","0.9837","","","","has coordinates","250279","2020-10-21","18:00:00",""
"7703517","7.6895","0.0004","10.6774","0.0006","15.5498","0.0009","80.941","0.002","85.288","0.002","69.984","0.002","1184.07","0.11","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C21 H18 Cl F6 N4 O2 P Ru S -","- C21 H18 Cl F6 N4 O2 P Ru S -","- C42 H36 Cl2 F12 N8 O4 P2 Ru2 S2 -","2","1","","Labra-Vázquez, Pablo; Bocé, Mathilde; Tassé, Marine; Mallet-Ladeira, Sonia; Lacroix, Pascal G.; Farfán, Norberto; Malfant, Isabelle","Chemical and photochemical behavior of ruthenium nitrosyl complexes with terpyridine ligands in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3138","3154","10.1039/c9dt04832d","","","0.71073","MoKα","","0.0369","0.0315","","0.049","0.0429","0.0328","","","","","","1.024","","","","has coordinates","250279","2020-10-21","18:00:00",""
"7703518","22.9917","0.0008","17.299","0.0006","14.1597","0.0005","90","","114.003","0.002","90","","5144.8","0.3","110","2","110","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C23 H19 Cl F6 N5 O2 P Ru -","- C23 H19 Cl F6 N5 O2 P Ru -","- C184 H152 Cl8 F48 N40 O16 P8 Ru8 -","8","1","","Labra-Vázquez, Pablo; Bocé, Mathilde; Tassé, Marine; Mallet-Ladeira, Sonia; Lacroix, Pascal G.; Farfán, Norberto; Malfant, Isabelle","Chemical and photochemical behavior of ruthenium nitrosyl complexes with terpyridine ligands in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3138","3154","10.1039/c9dt04832d","","","0.71073","MoKα","","0.031","0.0252","","","0.0627","0.0674","","","","","","1.108","","","","has coordinates,has disorder","250279","2020-10-21","18:00:00",""
"7703519","17.065","0.011","17.488","0.011","20.605","0.012","90","","90","","90","","6149","7","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H27 Cl3 N2 O4 Pd2 -","- C33 H27 Cl3 N2 O4 Pd2 -","- C264 H216 Cl24 N16 O32 Pd16 -","8","2","","Yamamoto, Koji; Higuchi, Kazuki; Kuwata, Shigeki; Hayashi, Yoshihiro; Kawauchi, Susumu; Takata, Toshikazu","Open clamshell dinuclear palladium(ii) complexes possessing out-of-plane anisotropy.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2781","2785","10.1039/d0dt00323a","","","0.71075","MoKα","","0.0584","0.0526","","","0.1326","0.1372","","","","","","1.036","","","","has coordinates","248981","2020-10-21","18:00:00",""
"7703520","12.641","0.003","13.964","0.003","21.656","0.005","73.184","0.011","76.622","0.012","74.112","0.012","3471","1.4","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H37 Cl N2 O6.75 Pd2 -","- C39 H37 Cl N2 O6.75 Pd2 -","- C156 H148 Cl4 N8 O27 Pd8 -","4","2","","Yamamoto, Koji; Higuchi, Kazuki; Kuwata, Shigeki; Hayashi, Yoshihiro; Kawauchi, Susumu; Takata, Toshikazu","Open clamshell dinuclear palladium(ii) complexes possessing out-of-plane anisotropy.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2781","2785","10.1039/d0dt00323a","","","0.71075","MoKα","","0.0794","0.0557","","","0.1315","0.1407","","","","","","0.807","","","","has coordinates,has disorder","248981","2020-10-21","18:00:00",""
"7703521","9.8908","0.0006","10.5382","0.0006","15.9326","0.001","81.26","0.002","86.319","0.002","68.024","0.002","1522.08","0.16","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H60 N12 O26 Re6 -","- C42 H60 N12 O26 Re6 -","- C42 H60 N12 O26 Re6 -","1","0.5","","Ghosh, Rajib; Ghosh, Tamal Kanti; Ghosh, Pradyut","Selective and efficient removal of perrhenate by an imidazolium based hexapodal receptor in water medium.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3093","3097","10.1039/d0dt00365d","","","0.71073","MoKα","","0.0666","0.0646","","","0.178","0.1811","","","","","","1.057","","","","has coordinates","250277","2020-10-21","18:00:00",""
"7703522","9.616","0.004","12.479","0.005","15.96","0.007","109.63","0.008","102.85","0.008","90.878","0.008","1750.2","1.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H72 N16 O24 Re6 -","- C50 H72 N16 O24 Re6 -","- C50 H72 N16 O24 Re6 -","1","0.5","","Ghosh, Rajib; Ghosh, Tamal Kanti; Ghosh, Pradyut","Selective and efficient removal of perrhenate by an imidazolium based hexapodal receptor in water medium.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3093","3097","10.1039/d0dt00365d","","","0.71073","MoKα","","0.1383","0.0948","","","0.2508","0.2959","","","","","","0.968","","","","has coordinates","250277","2020-10-21","18:00:00",""
"7703523","6.6594","0.0002","10.8376","0.0004","11.1557","0.0004","89.306","0.001","77.661","0.001","72.266","0.001","747.94","0.04","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H9 Cl N3 O3 Re -","- C15 H9 Cl N3 O3 Re -","- C30 H18 Cl2 N6 O6 Re2 -","2","1","","Bonfiglio, Anna; Magra, Kévin; Cebrián, Cristina; Polo, Federico; Gros, Philippe C.; Mercandelli, Pierluigi; Mauro, Matteo","Red-emitting neutral rhenium(i) complexes bearing a pyridyl pyridoannelated N-heterocyclic carbene.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3102","3111","10.1039/c9dt04890a","","","0.71073","MoKα","","0.0163","0.0152","","","0.0302","0.0305","","","","","","1.106","","","","has coordinates","250285","2020-10-21","18:00:00",""
"7703524","6.7338","0.0003","10.8986","0.0004","11.312","0.0005","88.791","0.001","76.48","0.001","72.144","0.001","767.14","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H9 Br N3 O3 Re -","- C15 H9 Br N3 O3 Re -","- C30 H18 Br2 N6 O6 Re2 -","2","1","","Bonfiglio, Anna; Magra, Kévin; Cebrián, Cristina; Polo, Federico; Gros, Philippe C.; Mercandelli, Pierluigi; Mauro, Matteo","Red-emitting neutral rhenium(i) complexes bearing a pyridyl pyridoannelated N-heterocyclic carbene.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3102","3111","10.1039/c9dt04890a","","","0.71073","MoKα","","0.0342","0.0295","","","0.0621","0.0649","","","","","","1.109","","","","has coordinates","250285","2020-10-21","18:00:00",""
"7703525","10.7913","0.0003","19.8212","0.0007","22.1761","0.0009","112.852","0.004","94.189","0.003","98.719","0.003","4275","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H29 B N8 O2 W -","- C28 H29 B N8 O2 W -","- C168 H174 B6 N48 O12 W6 -","6","3","","Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to bipyridyl carbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3272","3283","10.1039/c9dt04744a","","","1.54184","CuKα","","0.0584","0.0376","","","0.0728","0.0812","","","","","","0.946","","","","has coordinates","250283","2020-10-21","18:00:00",""
"7703526","10.1932","0.0002","15.8341","0.0004","18.7606","0.0004","90","","90.182","0.002","90","","3027.95","0.12","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 Au B Cl N8 O2 W -","- C28 H29 Au B Cl N8 O2 W -","- C112 H116 Au4 B4 Cl4 N32 O8 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to bipyridyl carbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3272","3283","10.1039/c9dt04744a","","","1.54184","CuKα","","0.0418","0.0351","","","0.0849","0.0892","","","","","","1.051","","","","has coordinates","250283","2020-10-21","18:00:00",""
"7703527","14.5705","0.0004","12.1669","0.0003","19.1692","0.0007","90","","102.297","0.003","90","","3320.31","0.18","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 Au2 B2 Cl6 N14 O4 W2 -","- C48 H54 Au2 B2 Cl6 N14 O4 W2 -","- C96 H108 Au4 B4 Cl12 N28 O8 W4 -","2","0.5","","Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to bipyridyl carbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3272","3283","10.1039/c9dt04744a","","","0.71073","MoKα","","0.0304","0.023","","","0.0507","0.0534","","","","","","1.04","","","","has coordinates,has disorder","250283","2020-10-21","18:00:00",""
"7703528","10.932","0.0004","12.4024","0.0005","13.3168","0.0005","91.062","0.003","106.316","0.003","100.294","0.003","1700.4","0.12","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C30 H36 B2 F4 N8 O3 W -","- C30 H36 B2 F4 N8 O3 W -","- C60 H72 B4 F8 N16 O6 W2 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to bipyridyl carbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3272","3283","10.1039/c9dt04744a","","","0.71073","MoKα","","0.0435","0.0337","","","0.0573","0.065","","","","","","1.077","","","","has coordinates","250283","2020-10-21","18:00:00",""
"7703529","17.2205","0.0004","12.6997","0.0003","17.2216","0.0003","90","","97.909","0.002","90","","3730.46","0.14","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 B Cl5 N8 O2 Pt W -","- C29 H30 B Cl5 N8 O2 Pt W -","- C116 H120 B4 Cl20 N32 O8 Pt4 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to bipyridyl carbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3272","3283","10.1039/c9dt04744a","","","0.71073","MoKα","","0.0243","0.0208","","","0.0459","0.0476","","","","","","1.045","","","","has coordinates","250283","2020-10-21","18:00:00",""
"7703530","12.8374","0.0006","13.7806","0.0005","14.558","0.0007","108.818","0.004","110.939","0.004","105.013","0.004","2062.6","0.2","150","0.1","150","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C36 H41 B F6 N8 O2 P Rh W -","- C36 H41 B F6 N8 O2 P Rh W -","- C72 H82 B2 F12 N16 O4 P2 Rh2 W2 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to bipyridyl carbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3272","3283","10.1039/c9dt04744a","","","1.54184","CuKα","","0.0479","0.0418","","","0.11","0.1154","","","","","","1.065","","","","has coordinates,has disorder","250283","2020-10-21","18:00:00",""
"7703531","18.0778","0.0001","12.5164","0.0001","17.187","0.0001","90","","97.423","0.001","90","","3856.29","0.04","150","0.1","150","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 B Br Cl2 N8 O5 Re W -","- C32 H31 B Br Cl2 N8 O5 Re W -","- C128 H124 B4 Br4 Cl8 N32 O20 Re4 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to bipyridyl carbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3272","3283","10.1039/c9dt04744a","","","1.54184","CuKα","","0.0263","0.0246","","","0.0636","0.065","","","","","","1.096","","","","has coordinates,has disorder","250283","2020-10-21","18:00:00",""
"7703532","17.5492","0.0006","20.796","0.0008","16.0536","0.0005","90","","90.562","0.003","90","","5858.5","0.4","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H55 B3 Cl4 F4 N14 O4 W2 -","- C46 H51 B3 F4 N14 O4 W2 -","- C184 H204 B12 F16 N56 O16 W8 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to bipyridyl carbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3272","3283","10.1039/c9dt04744a","","","0.71073","MoKα","","0.0493","0.0336","","","0.0685","0.0744","","","","","","1.021","","","","has coordinates","250283","2020-10-21","18:00:00",""
"7703533","9.5931","0.0004","19.9775","0.0007","17.8132","0.0006","90","","104.236","0.004","90","","3309","0.2","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 B Cl2 N8 O2 Pt W -","- C30 H33 B Cl2 N8 O2 Pt W -","- C120 H132 B4 Cl8 N32 O8 Pt4 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to bipyridyl carbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3272","3283","10.1039/c9dt04744a","","","0.71073","MoKα","","0.0491","0.0375","","","0.0815","0.0878","","","","","","1.049","","","","has coordinates","250283","2020-10-21","18:00:00",""
"7703534","16.0592","0.0002","26.216","0.0003","27.9017","0.0003","90","","90","","90","","11746.8","0.2","150","0.1","150","0.1","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C46 H50 B2 N14 O4 W2 -","- C46 H50 B2 N14 O4 W2 -","- C368 H400 B16 N112 O32 W16 -","8","1","","Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to bipyridyl carbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3272","3283","10.1039/c9dt04744a","","","1.54184","CuKα","","0.0329","0.0317","","","0.0928","0.0944","","","","","","1.098","","","","has coordinates","250283","2020-10-21","18:00:00",""
"7703535","12.8493","0.0004","13.8233","0.0005","14.5185","0.0005","114.14","0.004","106.442","0.003","103.774","0.003","2064.34","0.18","150","0.1","150","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C36 H41 B F6 Ir N8 O2 P W -","- C36 H41 B F6 Ir N8 O2 P W -","- C72 H82 B2 F12 Ir2 N16 O4 P2 W2 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to bipyridyl carbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3272","3283","10.1039/c9dt04744a","","","1.54184","CuKα","","0.0407","0.0354","","","0.0912","0.0972","","","","","","1.028","","","","has coordinates","250283","2020-10-21","18:00:00",""
"7703536","10.1615","0.0003","16.8699","0.0005","11.3481","0.0004","90","","111.731","0.004","90","","1807.08","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Co N4 O5 S -","- C18 H14 Co N4 O5 S -","- C72 H56 Co4 N16 O20 S4 -","4","1","","Liu, Hang; Mai, Zhongwen; Xu, Xinxin; Wang, Yi","A Co-MOF-derived oxygen-vacancy-rich Co<sub>3</sub>O<sub>4</sub>-based composite as a cathode material for hybrid Zn batteries.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2880","2887","10.1039/c9dt04682h","","","0.71073","MoKα","","0.0504","0.0438","","","0.1585","0.1678","","","","","","1.035","","","","has coordinates","248976","2020-10-21","18:00:00",""
"7703537","9.9814","0.0005","13.5654","0.0006","15.3462","0.0007","102.105","0.002","95.801","0.002","101.584","0.002","1967.95","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H33 Cl2 N2 P Ru S2 -","- C42 H33 Cl2 N2 P Ru S2 -","- C84 H66 Cl4 N4 P2 Ru2 S4 -","2","1","","Dutta, Debarpan; Kundu, Suman; Weyhermüller, Thomas; Ghosh, Prasanta","Metal promoted conversion of aromatic amines to ortho-phenylenediimine derivatives by a radical coupling path.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5015","5019","10.1039/d0dt00089b","","","0.71073","MoKα","","0.0453","0.038","","","0.0893","0.0936","","","","","","1.114","","","","has coordinates","251628","2020-10-21","18:00:00",""
"7703538","10.7982","0.0006","11.8469","0.0007","14.571","0.0008","83.92","0.003","83.224","0.003","68.376","0.003","1716.77","0.17","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H33 Cl2 N2 O2 P Ru S -","- C37 H33 Cl2 N2 O2 P Ru S -","- C74 H66 Cl4 N4 O4 P2 Ru2 S2 -","2","1","","Dutta, Debarpan; Kundu, Suman; Weyhermüller, Thomas; Ghosh, Prasanta","Metal promoted conversion of aromatic amines to ortho-phenylenediimine derivatives by a radical coupling path.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5015","5019","10.1039/d0dt00089b","","","0.71073","MoKα","","0.0974","0.0601","","","0.1218","0.1419","","","","","","1.087","","","","has coordinates","251628","2020-10-21","18:00:00",""
"7703539","9.9122","0.0005","13.5323","0.0007","15.4334","0.0007","102.528","0.002","94.871","0.002","101.684","0.002","1960.94","0.17","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H33 Cl2 N2 O0.7 P Ru S1.3 -","- C42 H33 Cl2 N2 O0.701 P Ru S1.299 -","- C84 H66 Cl4 N4 O1.402 P2 Ru2 S2.598 -","2","1","","Dutta, Debarpan; Kundu, Suman; Weyhermüller, Thomas; Ghosh, Prasanta","Metal promoted conversion of aromatic amines to ortho-phenylenediimine derivatives by a radical coupling path.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5015","5019","10.1039/d0dt00089b","","","0.71073","MoKα","","0.0904","0.0775","","","0.1964","0.2033","","","","","","1.137","","","","has coordinates,has disorder","251628","2020-10-21","18:00:00",""
"7703540","14.44","0.003","15.07","0.003","16.39","0.003","90","","108.68","0.03","90","","3378.8","1.3","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 B2 Cu F12 N4 O2 -","- C28 H28 B2 Cu F12 N4 O2 -","- C112 H112 B8 Cu4 F48 N16 O8 -","4","0.5","","Kondo, Atsushi; Kajiro, Hiroshi; Nakagawa, Tomohiro; Tanaka, Hideki; Kanoh, Hirofumi","A flexible two-dimensional layered metal-organic framework functionalized with (trifluoromethyl)trifluoroborate: synthesis, crystal structure, and adsorption/separation properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3692","3699","10.1039/c9dt04836g","","","0.71073","MoKα","","0.0964","0.0783","","","0.2029","0.2177","","","","","","1.042","","","","has coordinates","250311","2020-10-21","18:00:00",""
"7703541","19.531","0.0011","19.531","0.0011","7.6932","0.0004","90","","90","","90","","2934.6","0.3","100","2","100.15","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C7 H12 Au Cl5 N2 -","- C7 H12 Au Cl5 N2 -","- C56 H96 Au8 Cl40 N16 -","8","1","","Levchenko, Volodymyr; Glessi, Cristiano; Øien-Ødegaard, Sigurd; Tilset, Mats","Organometallic chemistry in aqua regia: metal and ligand based oxidations of (NHC)AuCl complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3473","3479","10.1039/c9dt04472h","","","0.71073","MoKα","","0.0439","0.0283","","","0.0506","0.0539","","","","","","1.031","","","","has coordinates","250308","2020-10-21","18:00:00",""
"7703542","8.684","0.002","20.099","0.005","13.321","0.003","90","","91.35","0.01","90","","2324.4","0.9","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Au Cl N2 O4 -","- C26 H22 Au Cl N2 O4 -","- C104 H88 Au4 Cl4 N8 O16 -","4","1","","Levchenko, Volodymyr; Glessi, Cristiano; Øien-Ødegaard, Sigurd; Tilset, Mats","Organometallic chemistry in aqua regia: metal and ligand based oxidations of (NHC)AuCl complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3473","3479","10.1039/c9dt04472h","","x-ray","0.71073","MoKα","","0.023","0.0217","","","0.0619","0.0683","","","","","","1.135","","","","has coordinates","250308","2020-10-21","18:00:00",""
"7703543","19.4915","0.0014","15.0501","0.0011","21.4077","0.0016","90","","113.209","0.002","90","","5771.7","0.7","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 Au Cl5 N3 O4 -","- C26 H23 Au Cl5 N3 O4 -","- C208 H184 Au8 Cl40 N24 O32 -","8","2","","Levchenko, Volodymyr; Glessi, Cristiano; Øien-Ødegaard, Sigurd; Tilset, Mats","Organometallic chemistry in aqua regia: metal and ligand based oxidations of (NHC)AuCl complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3473","3479","10.1039/c9dt04472h","","x-ray","0.71073","MoKα","","0.0557","0.0349","","","0.0752","0.0825","","","","","","1.028","","","","has coordinates,has disorder","250308","2020-10-21","18:00:00",""
"7703544","8.5971","0.0004","14.5741","0.0007","10.8547","0.0005","90","","99.788","0.001","90","","1340.24","0.11","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 Au Cl5 N2 -","- C7 H10 Au Cl5 N2 -","- C28 H40 Au4 Cl20 N8 -","4","1","","Levchenko, Volodymyr; Glessi, Cristiano; Øien-Ødegaard, Sigurd; Tilset, Mats","Organometallic chemistry in aqua regia: metal and ligand based oxidations of (NHC)AuCl complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3473","3479","10.1039/c9dt04472h","","x-ray","0.71073","MoKα","","0.0192","0.0186","","","0.0428","0.043","","","","","","1.197","","","","has coordinates","250308","2020-10-21","18:00:00",""
"7703545","7.793","0.005","13.984","0.009","11.539","0.007","90","","100.78","0.02","90","","1235.3","1.4","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Au Cl3 N2 -","- C9 H10 Au Cl3 N2 -","- C36 H40 Au4 Cl12 N8 -","4","1","","Levchenko, Volodymyr; Glessi, Cristiano; Øien-Ødegaard, Sigurd; Tilset, Mats","Organometallic chemistry in aqua regia: metal and ligand based oxidations of (NHC)AuCl complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3473","3479","10.1039/c9dt04472h","","","0.71073","MoKα","","0.0303","0.0223","","","0.0483","0.0505","","","","","","1.024","","","","has coordinates","250308","2020-10-21","18:00:00",""
"7703546","14.9973","0.0015","12.2343","0.0012","17.05","0.0017","90","","103.282","0.002","90","","3044.7","0.5","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Au Cl6 N2 O4 -","- C27 H23 Au Cl6 N2 O4 -","- C108 H92 Au4 Cl24 N8 O16 -","4","1","","Levchenko, Volodymyr; Glessi, Cristiano; Øien-Ødegaard, Sigurd; Tilset, Mats","Organometallic chemistry in aqua regia: metal and ligand based oxidations of (NHC)AuCl complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3473","3479","10.1039/c9dt04472h","","x-ray","0.71073","MoKα","","0.028","0.0218","","","0.0534","0.0558","","","","","","1.031","","","","has coordinates","250308","2020-10-21","18:00:00",""
"7703547","9.9227","0.0005","12.457","0.0006","16.0614","0.0008","80.584","0.001","74.32","0.001","67.518","0.001","1762.1","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H18 Br2 N2 O10 Ru3 -","- C34 H18 Br2 N2 O10 Ru3 -","- C68 H36 Br4 N4 O20 Ru6 -","2","1","","Yan, Xinlong; Dong, Qing; Li, Ying; Meng, Lizhen; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Aerobic oxidation of primary benzylic amines to amides and nitriles catalyzed by ruthenium carbonyl clusters carrying N,O-bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3480","3487","10.1039/d0dt00045k","","","0.71073","MoKα","","0.0473","0.0381","","","0.104","0.1211","","","","","","1.023","","","","has coordinates","250300","2020-10-21","18:00:00",""
"7703548","11.695","0.0009","16.4637","0.0014","19.9029","0.0016","90","","103.851","0.003","90","","3720.7","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 Br4 N2 O10 Ru3 -","- C32 H16 Br4 N2 O10 Ru3 -","- C128 H64 Br16 N8 O40 Ru12 -","4","0.5","","Yan, Xinlong; Dong, Qing; Li, Ying; Meng, Lizhen; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Aerobic oxidation of primary benzylic amines to amides and nitriles catalyzed by ruthenium carbonyl clusters carrying N,O-bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3480","3487","10.1039/d0dt00045k","","","0.71073","MoKα","","0.0592","0.0354","","","0.0731","0.0797","","","","","","1.044","","","","has coordinates","250300","2020-10-21","18:00:00",""
"7703549","11.4233","0.0011","12.1695","0.0012","15.1533","0.0014","70.483","0.001","87.865","0.002","78.592","0.001","1945.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 N2 O12 Ru3 -","- C36 H24 N2 O12 Ru3 -","- C72 H48 N4 O24 Ru6 -","2","1","","Yan, Xinlong; Dong, Qing; Li, Ying; Meng, Lizhen; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Aerobic oxidation of primary benzylic amines to amides and nitriles catalyzed by ruthenium carbonyl clusters carrying N,O-bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3480","3487","10.1039/d0dt00045k","","","0.71073","MoKα","","0.0531","0.04","","","0.1","0.11","","","","","","1.046","","","","has coordinates","250300","2020-10-21","18:00:00",""
"7703550","7.813","0.0001","15.561","0.0003","17.9993","0.0005","83.827","0.002","83.232","0.002","79.233","0.002","2126.6","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C45 H37 N7 O4 Os P -","- C45 H37 N7 O4 Os P -","- C90 H74 N14 O8 Os2 P2 -","2","1","","Su, Qian-Qian; Fan, Kun; Huang, Xin-Da; Xiang, Jing; Cheng, Shun-Cheung; Ko, Chi-Chiu; Zheng, Li-Min; Kurmoo, Mohamedally; Lau, Tai-Chu","Field-induced slow magnetic relaxation in low-spin S = 1/2 mononuclear osmium(v) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4084","4092","10.1039/d0dt00295j","","","0.71073","MoKα","","0.0435","0.0384","","","0.1022","0.1055","","","","","","0.786","","","","has coordinates","250295","2020-10-21","18:00:00",""
"7703551","7.751","0.0005","34.11","0.002","16.1795","0.0012","90","","101.349","0.007","90","","4194","0.5","119.99","0.1","119.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H35 N7 O4 Os P -","- C44 H35 N7 O4 Os P -","- C176 H140 N28 O16 Os4 P4 -","4","1","","Su, Qian-Qian; Fan, Kun; Huang, Xin-Da; Xiang, Jing; Cheng, Shun-Cheung; Ko, Chi-Chiu; Zheng, Li-Min; Kurmoo, Mohamedally; Lau, Tai-Chu","Field-induced slow magnetic relaxation in low-spin S = 1/2 mononuclear osmium(v) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4084","4092","10.1039/d0dt00295j","","","0.71073","MoKα","","0.1444","0.1025","","","0.2471","0.2789","","","","","","1.085","","","","has coordinates","250295","2020-10-21","18:00:00",""
"7703552","14.03","0.005","14.03","0.005","14.03","0.005","90","","90","","90","","2761.7","1.7","296","2","296","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- Ag2 Cu2 Ge4 S16 Sr6 -","- Ag1.9998 Cu2.0001 Ge4 S16 Sr6 -","- Ag7.9992 Cu8.0004 Ge16 S64 Sr24 -","4","0.0833333","","Yang, Ya; Song, Miao; Zhang, Jie; Gao, Lihua; Wu, Xiaowen; Wu, Kui","Coordinated regulation on critical physiochemical performances activated from mixed tetrahedral anionic ligands in new series of Sr<sub>6</sub>A<sub>4</sub>M<sub>4</sub>S<sub>16</sub> (A = Ag, Cu; M = Ge, Sn) nonlinear optical materials.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3388","3392","10.1039/d0dt00432d","","","0.71073","MoKα","","0.0574","0.0552","","","0.1404","0.143","","","","","","1.105","","","","has coordinates","250302","2020-10-21","18:00:00",""
"7703553","14.2219","0.0004","14.2219","0.0004","14.2219","0.0004","90","","90","","90","","2876.56","0.14","296","2","296","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ag4 S16 Sn4 Sr6 -","- Ag4.0005 S16 Sn4 Sr6 -","- Ag16.002 S64 Sn16 Sr24 -","4","0.0833333","","Yang, Ya; Song, Miao; Zhang, Jie; Gao, Lihua; Wu, Xiaowen; Wu, Kui","Coordinated regulation on critical physiochemical performances activated from mixed tetrahedral anionic ligands in new series of Sr<sub>6</sub>A<sub>4</sub>M<sub>4</sub>S<sub>16</sub> (A = Ag, Cu; M = Ge, Sn) nonlinear optical materials.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3388","3392","10.1039/d0dt00432d","","","0.71073","MoKα","","0.0453","0.0414","","","0.1303","0.133","","","","","","1.232","","","","has coordinates","250302","2020-10-21","18:00:00",""
"7703554","14.0925","0.0015","14.0925","0.0015","14.0925","0.0015","90","","90","","90","","2798.8","0.5","293","2","293","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ag4 Ge4 S16 Sr6 -","- Ag3.9999 Ge4 S16 Sr6 -","- Ag15.9996 Ge16 S64 Sr24 -","4","0.0833333","","Yang, Ya; Song, Miao; Zhang, Jie; Gao, Lihua; Wu, Xiaowen; Wu, Kui","Coordinated regulation on critical physiochemical performances activated from mixed tetrahedral anionic ligands in new series of Sr<sub>6</sub>A<sub>4</sub>M<sub>4</sub>S<sub>16</sub> (A = Ag, Cu; M = Ge, Sn) nonlinear optical materials.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3388","3392","10.1039/d0dt00432d","","","0.71073","MoKα","","0.0183","0.0181","","","0.0469","0.047","","","","","","1.098","","","","has coordinates","250302","2020-10-21","18:00:00",""
"7703555","13.982","0.003","13.982","0.003","13.982","0.003","90","","90","","90","","2733.4","1","296","2","296","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Cu4 S16 Sn4 Sr6 -","- Cu3.9999 S16 Sn4 Sr6 -","- Cu15.9996 S64 Sn16 Sr24 -","4","0.0833333","","Yang, Ya; Song, Miao; Zhang, Jie; Gao, Lihua; Wu, Xiaowen; Wu, Kui","Coordinated regulation on critical physiochemical performances activated from mixed tetrahedral anionic ligands in new series of Sr<sub>6</sub>A<sub>4</sub>M<sub>4</sub>S<sub>16</sub> (A = Ag, Cu; M = Ge, Sn) nonlinear optical materials.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3388","3392","10.1039/d0dt00432d","","","0.71073","MoKα","","0.0772","0.0692","","","0.2","0.2079","","","","","","1.181","","","","has coordinates","250302","2020-10-21","18:00:00",""
"7703556","18.3465","0.001","9.5046","0.0003","18.6302","0.0012","90","","115.491","0.002","90","","2932.4","0.3","173","2","173","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C26 H36 Cl F6 N2 P Ru S -","- C26 H36 Cl F6 N2 P Ru S -","- C104 H144 Cl4 F24 N8 P4 Ru4 S4 -","4","1","","Chen, Weiguang; Egly, Julien; Poblador-Bahamonde, Amalia I; Maisse-Francois, Aline; Bellemin-Laponnaz, Stéphane; Achard, Thierry","Synthesis, characterization, catalytic and biological application of half-sandwich ruthenium complexes bearing hemilabile (κ2-C,S)-thioether-functionalised NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3243","3252","10.1039/c9dt04825a","","","0.71073","MoKα","","0.162","0.0646","","","0.1395","0.2089","","","","","","1.059","","","","has coordinates","250272","2020-10-21","18:00:00",""
"7703557","10.3883","0.001","19.6463","0.0019","14.7966","0.0014","90","","95.526","0.002","90","","3005.8","0.5","173","2","173","2","","","","","","","","9","P 1 c 1","P -2yc","7","","","","- C28 H31 Br Cl F6 N2 P Ru S -","- C28 H31 Br Cl F6 N2 P Ru S -","- C112 H124 Br4 Cl4 F24 N8 P4 Ru4 S4 -","4","2","","Chen, Weiguang; Egly, Julien; Poblador-Bahamonde, Amalia I; Maisse-Francois, Aline; Bellemin-Laponnaz, Stéphane; Achard, Thierry","Synthesis, characterization, catalytic and biological application of half-sandwich ruthenium complexes bearing hemilabile (κ2-C,S)-thioether-functionalised NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3243","3252","10.1039/c9dt04825a","","","0.71073","MoKα","","0.1122","0.0734","","","0.1693","0.1906","","","","","","1.013","","","","has coordinates","250272","2020-10-21","18:00:00",""
"7703558","8.9199","0.0007","11.327","0.0009","15.5712","0.0013","81.652","0.002","84.987","0.002","73.995","0.002","1494.4","0.2","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C28 H31 Cl F6 N3 O2 P Ru S -","- C28 H31 Cl F6 N3 O2 P Ru S -","- C56 H62 Cl2 F12 N6 O4 P2 Ru2 S2 -","2","1","","Chen, Weiguang; Egly, Julien; Poblador-Bahamonde, Amalia I; Maisse-Francois, Aline; Bellemin-Laponnaz, Stéphane; Achard, Thierry","Synthesis, characterization, catalytic and biological application of half-sandwich ruthenium complexes bearing hemilabile (κ2-C,S)-thioether-functionalised NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3243","3252","10.1039/c9dt04825a","","","0.71073","MoKα","","0.0288","0.0247","","","0.0599","0.0625","","","","","","1.046","","","","has coordinates","250272","2020-10-21","18:00:00",""
"7703559","10.0011","0.0007","15.523","0.001","26.6754","0.0019","90","","94.253","0.006","90","","4129.9","0.5","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H65 Cl N2 O Rh Ta -","- C39 H65 Cl N2 O Rh Ta -","- C156 H260 Cl4 N8 O4 Rh4 Ta4 -","4","1","","Srivastava, Ravi; Quadrelli, Elsje Alessandra; Camp, Clément","Lability of Ta-NHC adducts as a synthetic route towards heterobimetallic Ta/Rh complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3120","3128","10.1039/d0dt00344a","","x-ray","0.71073","MoKα","","0.0862","0.0702","","0.1813","0.1709","0.1813","","","","","","1.0076","","","","has coordinates","250280","2020-10-21","18:00:00",""
"7703560","8.6557","0.0007","10.8781","0.0007","15.8244","0.0011","71.346","0.006","75.611","0.007","68.301","0.007","1297.24","0.18","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H41 N2 O Ta -","- C26 H41 N2 O Ta -","- C52 H82 N4 O2 Ta2 -","2","1","","Srivastava, Ravi; Quadrelli, Elsje Alessandra; Camp, Clément","Lability of Ta-NHC adducts as a synthetic route towards heterobimetallic Ta/Rh complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3120","3128","10.1039/d0dt00344a","","x-ray","0.71073","MoKα","","0.0513","0.042","","0.0972","0.0867","0.0972","","","","","","0.997","","","","has coordinates","250280","2020-10-21","18:00:00",""
"7703561","14.7519","0.0008","15.0383","0.0009","15.888","0.0008","68.473","0.005","71.745","0.005","85.878","0.005","3110.1","0.3","150.01","0.1","150.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C51 H93 Cl N2 O5 Rh Si Ta -","- C51 H93 Cl N2 O5 Rh Si Ta -","- C102 H186 Cl2 N4 O10 Rh2 Si2 Ta2 -","2","1","","Srivastava, Ravi; Quadrelli, Elsje Alessandra; Camp, Clément","Lability of Ta-NHC adducts as a synthetic route towards heterobimetallic Ta/Rh complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3120","3128","10.1039/d0dt00344a","","x-ray","0.71073","MoKα","","0.0802","0.0629","","0.1301","0.1126","0.1301","","","","","","0.9557","","","","has coordinates","250280","2020-10-21","18:00:00",""
"7703562","9.7495","0.0004","16.7483","0.0007","21.3697","0.0008","95.525","0.003","102.339","0.003","93.414","0.003","3381.4","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C55 H111 N2 O9 Si2 Ta -","- C55 H109 N2 O9 Si2 Ta -","- C110 H218 N4 O18 Si4 Ta2 -","2","1","","Srivastava, Ravi; Quadrelli, Elsje Alessandra; Camp, Clément","Lability of Ta-NHC adducts as a synthetic route towards heterobimetallic Ta/Rh complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3120","3128","10.1039/d0dt00344a","","x-ray","0.71073","MoKα","","0.0578","0.0473","","","0.1027","0.1123","","","","","","1.09","","","","has coordinates","250280","2020-10-21","18:00:00",""
"7703563","13.2924","0.0004","14.4434","0.0003","24.8139","0.0007","101.192","0.002","102.617","0.002","91.829","0.002","4546.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C96.75 H127 B2 Br2 Li4 N4 O4 -","- C96.7496 H126.999 B2 Br2 Li4 N4 O3.9999 -","- C193.499 H253.998 B4 Br4 Li8 N8 O7.9998 -","2","1","","Lukina, Daria A.; Skatova, Alexandra A.; Lukoyanov, Anton N.; Kozlova, Ekaterina A.; Fedushkin, Igor L.","Alkali metal reduction of 1,3,2-diazaborol and 1,3,2-diazagermol derivatives based on 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2941","2946","10.1039/c9dt04652f","","","0.71073","MoKα","","0.0997","0.0551","","","0.1285","0.1456","","","","","","1.004","","","","has coordinates,has disorder","248982","2020-10-21","18:00:00",""
"7703564","12.205","0.003","19.4474","0.0018","20.653","0.006","90","","90","","90","","4902.1","1.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H71 Ge N2 Na O6 -","- C48 H71 Ge N2 Na O6 -","- C192 H284 Ge4 N8 Na4 O24 -","4","1","","Lukina, Daria A.; Skatova, Alexandra A.; Lukoyanov, Anton N.; Kozlova, Ekaterina A.; Fedushkin, Igor L.","Alkali metal reduction of 1,3,2-diazaborol and 1,3,2-diazagermol derivatives based on 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2941","2946","10.1039/c9dt04652f","","","0.71073","MoKα","","0.0733","0.0478","","","0.0906","0.0995","","","","","","1.011","","","","has coordinates,has disorder","248982","2020-10-21","18:00:00",""
"7703565","33.394","0.003","33.394","0.003","12.337","0.0009","90","","90","","90","","13758","2","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C79 H88 B2 K2 N4 O2 -","- C79 H88 B2 K2 N4 O2 -","- C632 H704 B16 K16 N32 O16 -","8","1","","Lukina, Daria A.; Skatova, Alexandra A.; Lukoyanov, Anton N.; Kozlova, Ekaterina A.; Fedushkin, Igor L.","Alkali metal reduction of 1,3,2-diazaborol and 1,3,2-diazagermol derivatives based on 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2941","2946","10.1039/c9dt04652f","","","0.71073","MoKα","","0.0959","0.0658","","","0.1604","0.1753","","","","","","1.018","","","","has coordinates,has disorder","248982","2020-10-21","18:00:00",""
"7703566","15.9608","0.0005","16.3375","0.0004","17.8363","0.0005","90","","107.528","0.001","90","","4435","0.2","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6,6?-{N(4-hexylphenyl)-N(ethyl)-amido}-2,2?-bipyridyl tricarbonylchlororhenium","[Re(HPEAB)(CO)3Cl]","","- C47 H60 Cl N4 O6 Re -","- C47 H60 Cl N4 O6 Re -","- C188 H240 Cl4 N16 O24 Re4 -","4","1","","Shipp, James D.; Carson, Heather; Spall, Steven J. P.; Parker, Simon C.; Chekulaev, Dimitri; Jones, Natalie; Mel'nikov, Mikhail Ya; Robertson, Craig C.; Meijer, Anthony J. H. M.; Weinstein, Julia A.","Sterically hindered Re- and Mn-CO<sub>2</sub> reduction catalysts for solar energy conversion.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4230","4243","10.1039/d0dt00252f","","","1.54178","CuKα","","0.0521","0.0413","","","0.1008","0.1069","","","","","","1.041","","","","has coordinates,has disorder","251639","2020-10-21","18:00:00",""
"7703567","15.8147","0.0012","16.2939","0.0011","17.938","0.0011","90","","106.379","0.004","90","","4434.7","0.5","110.01","","110.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H55 Br Mn N4 O5.5 -","- C45 H55 Br Mn N4 O5.5 -","- C180 H220 Br4 Mn4 N16 O22 -","4","1","","Shipp, James D.; Carson, Heather; Spall, Steven J. P.; Parker, Simon C.; Chekulaev, Dimitri; Jones, Natalie; Mel'nikov, Mikhail Ya; Robertson, Craig C.; Meijer, Anthony J. H. M.; Weinstein, Julia A.","Sterically hindered Re- and Mn-CO<sub>2</sub> reduction catalysts for solar energy conversion.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4230","4243","10.1039/d0dt00252f","","","0.71073","MoKα","","0.1961","0.0947","","","0.2175","0.2798","","","","","","1.079","","","","has coordinates,has disorder","251639","2020-10-21","18:00:00",""
"7703568","27.1551","0.0016","20.3001","0.0012","50.38","0.003","90","","100.579","0.001","90","","27300","3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C171 H98 N10 O92 Si3 U12 -","- C96 H38 O92 Si3 U12 -","- C384 H152 O368 Si12 U48 -","4","0.5","","Liu, Chao; Yang, Xin-Xue; Niu, Shuai; Yi, Xiao-Yi; Pan, Qing-Jiang","Occurrence of polyoxouranium motifs in uranyl organic networks constructed by using silicon-centered carboxylate linkers: structures, spectroscopy and computation.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4155","4163","10.1039/d0dt00379d","","","0.71073","MoKα","","0.1199","0.089","","","0.2008","0.214","","","","","","1.077","","","","has coordinates,has disorder","250293","2020-10-21","18:00:00",""
"7703569","9.184","0.005","10.534","0.005","16.288","0.008","98.949","0.009","90.855","0.009","100.674","0.01","1528.1","1.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 O16 Si U2 -","- C22 H23 O16 Si U2 -","- C44 H46 O32 Si2 U4 -","2","1","","Liu, Chao; Yang, Xin-Xue; Niu, Shuai; Yi, Xiao-Yi; Pan, Qing-Jiang","Occurrence of polyoxouranium motifs in uranyl organic networks constructed by using silicon-centered carboxylate linkers: structures, spectroscopy and computation.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4155","4163","10.1039/d0dt00379d","","","0.71073","MoKα","","0.0679","0.0452","","","0.1061","0.1169","","","","","","0.971","","","","has coordinates","250293","2020-10-21","18:00:00",""
"7703570","14.2639","0.0013","16.2562","0.0015","17.8214","0.0016","76.477","0.002","81.425","0.002","73.681","0.002","3840.5","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H34 O27 Si2 U5 -","- C54 H34 O27 Si2 U5 -","- C108 H68 O54 Si4 U10 -","2","1","","Liu, Chao; Yang, Xin-Xue; Niu, Shuai; Yi, Xiao-Yi; Pan, Qing-Jiang","Occurrence of polyoxouranium motifs in uranyl organic networks constructed by using silicon-centered carboxylate linkers: structures, spectroscopy and computation.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4155","4163","10.1039/d0dt00379d","","","0.71073","MoKα","","0.0732","0.0431","","","0.1055","0.1189","","","","","","1.005","","","","has coordinates,has disorder","250293","2020-10-21","18:00:00",""
"7703571","21.9739","0.0006","21.9739","0.0006","37.455","0.002","90","","90","","90","","18085.2","1.2","150","","150","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C32 H52 O54 Si U6 -","- C32 H12 O34 Si U6 -","- C256 H96 O272 Si8 U48 -","8","0.25","","Liu, Chao; Yang, Xin-Xue; Niu, Shuai; Yi, Xiao-Yi; Pan, Qing-Jiang","Occurrence of polyoxouranium motifs in uranyl organic networks constructed by using silicon-centered carboxylate linkers: structures, spectroscopy and computation.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4155","4163","10.1039/d0dt00379d","","","0.71073","MoKα","","0.036","0.0274","","","0.0723","0.0745","","","","","","1.065","","","","has coordinates","250293","2020-10-21","18:00:00",""
"7703572","18.94","0.003","18.94","0.003","38.348","0.005","90","","90","","120","","11913","3","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C11 H3 O5 Zn -","- C11 H3 O5 Zn -","- C198 H54 O90 Zn18 -","18","0.5","","Wu, Han; Li, Mengting; Sun, Chunyi; Wang, Xinlong; Su, Zhongmin","Luminescent metal-organic frameworks encapsulating polycyclic aromatic hydrocarbons for energy transfer.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5087","5091","10.1039/c9dt04047a","","","0.71069","MoKα","","0.0965","0.0746","","","0.2653","0.287","","","","","","1.12","","","","has coordinates,has disorder","251617","2020-10-21","18:00:00",""
"7703573","11.873","0.003","17.868","0.005","18.028","0.005","113.263","0.003","97.23","","105.296","0.003","3273","1.5","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H103 Cu F6 N P3 -","- C70 H103 Cu F6 N P3 -","- C140 H206 Cu2 F12 N2 P6 -","2","1","","Takeuchi, Katsuhiko; Tanaka, Yuto; Tanigawa, Ippei; Ozawa, Fumiyuki; Choi, Jun-Chul","Cu(i) complex bearing a PNP-pincer-type phosphaalkene ligand with a bulky fused-ring Eind group: properties and applications to FLP-type bond activation and catalytic CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3630","3637","10.1039/d0dt00276c","","","0.71075","MoKα","","0.0688","0.0531","","","0.1221","0.1398","","","","","","1.102","","","","has coordinates,has disorder","250306","2020-10-21","18:00:00",""
"7703574","13.726","0.002","14.204","0.002","14.966","0.003","88.769","0.007","77.711","0.006","64.632","0.005","2568","0.7","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H75 Cl2 Cu F6 N O P3 -","- C48 H75 Cl2 Cu F6 N O P3 -","- C96 H150 Cl4 Cu2 F12 N2 O2 P6 -","2","1","","Takeuchi, Katsuhiko; Tanaka, Yuto; Tanigawa, Ippei; Ozawa, Fumiyuki; Choi, Jun-Chul","Cu(i) complex bearing a PNP-pincer-type phosphaalkene ligand with a bulky fused-ring Eind group: properties and applications to FLP-type bond activation and catalytic CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3630","3637","10.1039/d0dt00276c","","","0.71075","MoKα","","0.0544","0.0471","","","0.1334","0.1397","","","","","","1.067","","","","has coordinates","250306","2020-10-21","18:00:00",""
"7703575","10.4742","0.0002","17.0519","0.0003","19.2242","0.0004","87.4499","0.0015","85.4988","0.0016","76.9395","0.0017","3333.14","0.11","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H111 Cu F6 N P3 -","- C69 H111 Cu F6 N P3 -","- C138 H222 Cu2 F12 N2 P6 -","2","1","","Takeuchi, Katsuhiko; Tanaka, Yuto; Tanigawa, Ippei; Ozawa, Fumiyuki; Choi, Jun-Chul","Cu(i) complex bearing a PNP-pincer-type phosphaalkene ligand with a bulky fused-ring Eind group: properties and applications to FLP-type bond activation and catalytic CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3630","3637","10.1039/d0dt00276c","","","0.71073","MoKα","","0.0838","0.0681","","","0.1845","0.2037","","","","","","1.047","","","","has coordinates,has disorder","250306","2020-10-21","18:00:00",""
"7703576","20.6335","0.0004","18.0324","0.0004","40.1676","0.0007","90","","100.03","0.0018","90","","14716.8","0.5","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C77 H116 Cu F6 N O1.5 P3 -","- C77 H116 Cu F6 N O1.5 P3 -","- C616 H928 Cu8 F48 N8 O12 P24 -","8","2","","Takeuchi, Katsuhiko; Tanaka, Yuto; Tanigawa, Ippei; Ozawa, Fumiyuki; Choi, Jun-Chul","Cu(i) complex bearing a PNP-pincer-type phosphaalkene ligand with a bulky fused-ring Eind group: properties and applications to FLP-type bond activation and catalytic CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3630","3637","10.1039/d0dt00276c","","","0.71073","MoKα","","0.1164","0.0655","","","0.1499","0.1796","","","","","","1.028","","","","has coordinates,has disorder","250306","2020-10-21","18:00:00",""
"7703577","13.4305","0.0003","20.3724","0.0005","20.9305","0.0006","62.479","0.003","88.556","0.002","88.368","0.002","5076.3","0.3","100.01","0.17","100.01","0.17","","","","","","","","7","P -1","-P 1","2","","","","- C67 H101 Lu N10 O62 Si W12 -","- C67 H99 Lu N10 O62 Si W12 -","- C134 H198 Lu2 N20 O124 Si2 W24 -","2","1","","Wu, Xiao-Yuan; Zhang, Hai-Long; Wang, Sa-Sa; Wu, Weiming; Lin, Lang; Jiang, Xiao-Yu; Lu, Can-Zhong","Polyoxometalate-based room-temperature phosphorescent materials induced by anion-π interactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3408","3412","10.1039/d0dt00159g","","","0.71073","MoKα","","0.0385","0.0322","","","0.0764","0.0793","","","","","","1.071","","","","has coordinates","250296","2020-10-21","18:00:00",""
"7703578","13.4403","0.0003","20.383","0.0006","20.9638","0.0007","62.559","0.003","88.382","0.002","88.22","0.002","5093.8","0.3","99.99","0.16","99.99","0.16","","","","","","","","7","P -1","-P 1","2","","","","- C67 H101 Ho N10 O62 Si W12 -","- C67 H99 Ho N10 O62 Si W12 -","- C134 H198 Ho2 N20 O124 Si2 W24 -","2","1","","Wu, Xiao-Yuan; Zhang, Hai-Long; Wang, Sa-Sa; Wu, Weiming; Lin, Lang; Jiang, Xiao-Yu; Lu, Can-Zhong","Polyoxometalate-based room-temperature phosphorescent materials induced by anion-π interactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3408","3412","10.1039/d0dt00159g","","","0.71073","MoKα","","0.0414","0.0326","","","0.0684","0.073","","","","","","1.016","","","","has coordinates","250296","2020-10-21","18:00:00",""
"7703579","13.4362","0.0003","20.3814","0.0004","20.9477","0.0005","62.544","0.002","88.5082","0.0018","88.3316","0.0017","5087.7","0.2","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H101 N10 O62 Si W12 Yb -","- C67 H101 N10 O62 Si W12 Yb -","- C134 H202 N20 O124 Si2 W24 Yb2 -","2","1","","Wu, Xiao-Yuan; Zhang, Hai-Long; Wang, Sa-Sa; Wu, Weiming; Lin, Lang; Jiang, Xiao-Yu; Lu, Can-Zhong","Polyoxometalate-based room-temperature phosphorescent materials induced by anion-π interactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3408","3412","10.1039/d0dt00159g","","","0.71073","MoKα","","0.0434","0.0333","","","0.0707","0.0754","","","","","","1.026","","","","has coordinates","250296","2020-10-21","18:00:00",""
"7703580","13.431","0.0003","20.3758","0.0006","20.9395","0.0006","62.537","0.003","88.452","0.002","88.299","0.002","5081.9","0.3","100.01","0.19","100.01","0.19","","","","","","","","7","P -1","-P 1","2","","","","- C67 H101 N10 O62 Si Tm W12 -","- C67 H99 N10 O62 Si Tm W12 -","- C134 H198 N20 O124 Si2 Tm2 W24 -","2","1","","Wu, Xiao-Yuan; Zhang, Hai-Long; Wang, Sa-Sa; Wu, Weiming; Lin, Lang; Jiang, Xiao-Yu; Lu, Can-Zhong","Polyoxometalate-based room-temperature phosphorescent materials induced by anion-π interactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3408","3412","10.1039/d0dt00159g","","","0.71073","MoKα","","0.0374","0.0297","","","0.0666","0.0701","","","","","","1.028","","","","has coordinates","250296","2020-10-21","18:00:00",""
"7703581","13.4318","0.0003","20.4071","0.0007","21.0138","0.0007","62.561","0.003","88.22","0.002","88.023","0.002","5108.2","0.3","100.01","0.13","100.01","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C67 H101 N10 O62 Si Tb W12 -","- C67 H99 N10 O62 Si Tb W12 -","- C134 H198 N20 O124 Si2 Tb2 W24 -","2","1","","Wu, Xiao-Yuan; Zhang, Hai-Long; Wang, Sa-Sa; Wu, Weiming; Lin, Lang; Jiang, Xiao-Yu; Lu, Can-Zhong","Polyoxometalate-based room-temperature phosphorescent materials induced by anion-π interactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3408","3412","10.1039/d0dt00159g","","","0.71073","MoKα","","0.0464","0.0359","","","0.0754","0.0811","","","","","","1.052","","","","has coordinates","250296","2020-10-21","18:00:00",""
"7703582","13.4291","0.0003","20.4068","0.0005","21.0221","0.0006","62.588","0.003","88.1793","0.0019","87.9916","0.0018","5110.2","0.3","100.01","0.12","100.01","0.12","","","","","","","","7","P -1","-P 1","2","","","","- C67 H101 Gd N10 O62 Si W12 -","- C67 H99 Gd N10 O62 Si W12 -","- C134 H198 Gd2 N20 O124 Si2 W24 -","2","1","","Wu, Xiao-Yuan; Zhang, Hai-Long; Wang, Sa-Sa; Wu, Weiming; Lin, Lang; Jiang, Xiao-Yu; Lu, Can-Zhong","Polyoxometalate-based room-temperature phosphorescent materials induced by anion-π interactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3408","3412","10.1039/d0dt00159g","","","0.71073","MoKα","","0.04","0.0308","","","0.0641","0.0684","","","","","","1.059","","","","has coordinates","250296","2020-10-21","18:00:00",""
"7703583","13.4365","0.0003","20.3963","0.0005","20.9995","0.0006","62.581","0.003","88.293","0.002","88.125","0.002","5105.1","0.3","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H101 Dy N10 O62 Si W12 -","- C67 H99 Dy N10 O62 Si W12 -","- C134 H198 Dy2 N20 O124 Si2 W24 -","2","1","","Wu, Xiao-Yuan; Zhang, Hai-Long; Wang, Sa-Sa; Wu, Weiming; Lin, Lang; Jiang, Xiao-Yu; Lu, Can-Zhong","Polyoxometalate-based room-temperature phosphorescent materials induced by anion-π interactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3408","3412","10.1039/d0dt00159g","","","0.71073","MoKα","","0.043","0.0298","","","0.0581","0.0625","","","","","","1.051","","","","has coordinates","250296","2020-10-21","18:00:00",""
"7703584","13.4518","0.0003","20.4208","0.0006","21.0413","0.0005","62.578","0.003","88.041","0.002","87.902","0.002","5126.1","0.3","99.98","0.13","99.98","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C67 H101 Eu N10 O62 Si W12 -","- C67 H99 Eu N10 O62 Si W12 -","- C134 H198 Eu2 N20 O124 Si2 W24 -","2","1","","Wu, Xiao-Yuan; Zhang, Hai-Long; Wang, Sa-Sa; Wu, Weiming; Lin, Lang; Jiang, Xiao-Yu; Lu, Can-Zhong","Polyoxometalate-based room-temperature phosphorescent materials induced by anion-π interactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3408","3412","10.1039/d0dt00159g","","","1.54178","CuKα","","0.0541","0.0472","","","0.1186","0.1252","","","","","","1.027","","","","has coordinates","250296","2020-10-21","18:00:00",""
"7703585","13.4347","0.0003","20.3834","0.0004","20.96","0.0005","62.557","0.002","88.406","0.002","88.249","0.002","5090.9","0.2","100","0.11","100","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C67 H101 Er N10 O62 Si W12 -","- C67 H99 Er N10 O62 Si W12 -","- C134 H198 Er2 N20 O124 Si2 W24 -","2","1","","Wu, Xiao-Yuan; Zhang, Hai-Long; Wang, Sa-Sa; Wu, Weiming; Lin, Lang; Jiang, Xiao-Yu; Lu, Can-Zhong","Polyoxometalate-based room-temperature phosphorescent materials induced by anion-π interactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3408","3412","10.1039/d0dt00159g","","","0.71073","MoKα","","0.0376","0.0285","","","0.0624","0.066","","","","","","1.012","","","","has coordinates","250296","2020-10-21","18:00:00",""
"7703586","18.3452","0.0004","12.386","0.0003","19.8824","0.0004","90","","111.973","0.008","90","","4189.6","0.3","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C33 H48 Au2 N2 Ni O10 P2 S2 -","- C33 H36 Au2 N2 Ni O4 P2 S2 -","- C132 H144 Au8 N8 Ni4 O16 P8 S8 -","4","2","","Hanprasit, Sasikarn; Yoshinari, Nobuto; Saito, Daisuke; Kato, Masako; Konno, Takumi","Homoleptic versus heteroleptic trinuclear systems with mixed l-cysteinate and d-penicillaminate regulated by a diphosphine linker.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3503","3509","10.1039/d0dt00440e","","","0.71075","MoKα","","0.1028","0.0647","","","0.1105","0.122","","","","","","1.016","","","","has coordinates","250309","2020-10-21","18:00:00",""
"7703587","10.5688","0.0002","15.8075","0.0003","16.1811","0.0004","106.128","0.008","99.779","0.007","104.476","0.007","2429.8","0.2","200","2","200","2","","","","","","","","8","P 1","P 1","1","","","","- C34 H52 Au2 N2 Ni O11 P2 S2 -","- C34 H38 Au2 N2 Ni O4 P2 S2 -","- C68 H76 Au4 N4 Ni2 O8 P4 S4 -","2","2","","Hanprasit, Sasikarn; Yoshinari, Nobuto; Saito, Daisuke; Kato, Masako; Konno, Takumi","Homoleptic versus heteroleptic trinuclear systems with mixed l-cysteinate and d-penicillaminate regulated by a diphosphine linker.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3503","3509","10.1039/d0dt00440e","","","0.71075","MoKα","","0.1219","0.0785","","","0.1672","0.1862","","","","","","1.003","","","","has coordinates","250309","2020-10-21","18:00:00",""
"7703588","10.3527","0.0008","15.3022","0.0013","15.8338","0.0013","104.376","0.007","101.422","0.007","102.993","0.007","2280.4","0.4","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C34 H52 Au2 N2 O11 P2 S2 Zn -","- C34 H38 Au2 N2 O4 P2 S2 Zn -","- C68 H76 Au4 N4 O8 P4 S4 Zn2 -","2","2","","Hanprasit, Sasikarn; Yoshinari, Nobuto; Saito, Daisuke; Kato, Masako; Konno, Takumi","Homoleptic versus heteroleptic trinuclear systems with mixed l-cysteinate and d-penicillaminate regulated by a diphosphine linker.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3503","3509","10.1039/d0dt00440e","","","0.4117","synchrotron","","0.1612","0.1183","","","0.2869","0.3162","","","","","","0.985","","","","has coordinates","250309","2020-10-21","18:00:00",""
"7703589","18.4269","0.0004","12.2826","0.0003","20.006","0.0004","90","","111.579","0.008","90","","4210.6","0.3","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C33 H48 Au2 N2 O10 P2 S2 Zn -","- C33 H36 Au2 N2 O4 P2 S2 Zn -","- C132 H144 Au8 N8 O16 P8 S8 Zn4 -","4","2","","Hanprasit, Sasikarn; Yoshinari, Nobuto; Saito, Daisuke; Kato, Masako; Konno, Takumi","Homoleptic versus heteroleptic trinuclear systems with mixed l-cysteinate and d-penicillaminate regulated by a diphosphine linker.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3503","3509","10.1039/d0dt00440e","","","0.71075","MoKα","","0.1237","0.0736","","","0.1341","0.1521","","","","","","1.016","","","","has coordinates","250309","2020-10-21","18:00:00",""
"7703590","12.4372","0.0013","15.3865","0.0016","24.393","0.002","90","","102.838","0.003","90","","4551.3","0.8","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H32 F6 Ir N5 P -","- C47 H33 F6 Ir N5 P -","- C188 H132 F24 Ir4 N20 P4 -","4","1","","Qin, Wei-Wei; Pan, Zheng-Yin; Cai, Dai-Hong; Li, Yi; He, Liang","Cyclometalated iridium(iii) complexes for mitochondria-targeted combined chemo-photodynamic therapy.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3562","3569","10.1039/d0dt00180e","","","0.71073","MoKα","","0.1855","0.0935","","","0.2394","0.284","","","","","","0.981","","","","has coordinates","250307","2020-10-21","18:00:00",""
"7703591","10.9263","0.001","18.2168","0.0015","18.4634","0.0013","90","","98.987","0.006","90","","3629.9","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H36 Ni O3 P2 S3 -","- C39 H36 Ni O3 P2 S3 -","- C156 H144 Ni4 O12 P8 S12 -","4","1","","Anamika, ?; Yadav, Dharmendra Kumar; Manar, Krishna K.; Yadav, Chote Lal; Kumar, Kamlesh; Ganesan, Vellaichamy; Drew, Michael G. B.; Singh, Nanhai","New heteroleptic [Ni(ii) 1,1-dithiolate-phosphine] complexes: synthesis, characterization and electrocatalytic oxygen evolution studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3592","3605","10.1039/c9dt04923a","","","0.71073","MoKα","","0.1788","0.0814","","","0.1661","0.2102","","","","","","0.882","","","","has coordinates,has disorder","250305","2020-10-21","18:00:00",""
"7703592","12.9389","0.0005","18.1214","0.0011","14.0593","0.0006","90","","105.926","0.005","90","","3170","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Ni O2 P2 S3 -","- C34 H32 Ni O2 P2 S3 -","- C136 H128 Ni4 O8 P8 S12 -","4","1","","Anamika, ?; Yadav, Dharmendra Kumar; Manar, Krishna K.; Yadav, Chote Lal; Kumar, Kamlesh; Ganesan, Vellaichamy; Drew, Michael G. B.; Singh, Nanhai","New heteroleptic [Ni(ii) 1,1-dithiolate-phosphine] complexes: synthesis, characterization and electrocatalytic oxygen evolution studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3592","3605","10.1039/c9dt04923a","","","0.71073","MoKα","","0.1558","0.0855","","","0.125","0.1446","","","","","","1.036","","","","has coordinates","250305","2020-10-21","18:00:00",""
"7703593","19.7845","0.0009","15.2433","0.0006","22.34","0.0009","90","","90","","90","","6737.3","0.5","100","2","273.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H36 Ni O3 P2 S2 -","- C35 H36 Ni O3 P2 S2 -","- C280 H288 Ni8 O24 P16 S16 -","8","1","","Anamika, ?; Yadav, Dharmendra Kumar; Manar, Krishna K.; Yadav, Chote Lal; Kumar, Kamlesh; Ganesan, Vellaichamy; Drew, Michael G. B.; Singh, Nanhai","New heteroleptic [Ni(ii) 1,1-dithiolate-phosphine] complexes: synthesis, characterization and electrocatalytic oxygen evolution studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3592","3605","10.1039/c9dt04923a","","","0.71073","MoKα","","0.0838","0.0451","","","0.1112","0.1569","","","","","","1.189","","","","has coordinates","250305","2020-10-21","18:00:00",""
"7703594","12.637","0.0012","20.1246","0.0014","14.0596","0.0009","90","","109.096","0.008","90","","3378.8","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 Ni O2 P2 S2 -","- C39 H34 Ni O2 P2 S2 -","- C156 H136 Ni4 O8 P8 S8 -","4","1","","Anamika, ?; Yadav, Dharmendra Kumar; Manar, Krishna K.; Yadav, Chote Lal; Kumar, Kamlesh; Ganesan, Vellaichamy; Drew, Michael G. B.; Singh, Nanhai","New heteroleptic [Ni(ii) 1,1-dithiolate-phosphine] complexes: synthesis, characterization and electrocatalytic oxygen evolution studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3592","3605","10.1039/c9dt04923a","","","0.71073","MoKα","","0.1246","0.0757","","","0.1191","0.1348","","","","","","1.059","","","","has coordinates,has disorder","250305","2020-10-21","18:00:00",""
"7703595","18.4889","0.0006","18.4889","0.0006","55.2602","0.0018","90","","90","","120","","16359.3","0.9","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C49.5 H50.5 Cu4 N9.5 O17.5 -","- C39 H24 Cu4 N6 O14 -","- C468 H288 Cu48 N72 O168 -","12","0.333333","","Jiang, Zhenzhen; Zou, Ying; Xu, Tingting; Fan, Lihui; Zhou, Ping; He, Yabing","A hydrostable cage-based MOF with open metal sites and Lewis basic sites immobilized in the pore surface for efficient separation and purification of natural gas and C<sub>2</sub>H<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3553","3561","10.1039/d0dt00402b","","","0.71073","MoKα","","0.0495","0.0458","","","0.2036","0.2129","","","","","","1.004","","","","has coordinates","250297","2020-10-21","18:00:00",""
"7703596","17.13173","0.00012","5.77152","0.00005","23.0206","0.0002","90","","107.05","0.0008","90","","2176.15","0.03","160","0.1","160","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N O2 Pt Se -","- C24 H27 N O2 Pt Se -","- C96 H108 N4 O8 Pt4 Se4 -","4","1","","Petrenko, Alla; Leitonas, Karolis; Volyniuk, Dmytro; Baryshnikov, Gleb V.; Belyakov, Sergey; Minaev, Boris F.; Ågren, Hans; Durgaryan, Hranush; GraŽulevičius, Juozas Vidas; Arsenyan, Pavel","Benzoselenophenylpyridine platinum complexes: green versus red phosphorescence towards hybrid OLEDs.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3393","3397","10.1039/d0dt00214c","","x-ray","1.54184","CuKα","","0.0291","0.0284","","","0.0779","0.0786","","","","","","1.0513","","","","has coordinates","250304","2020-10-21","18:00:00",""
"7703597","35.3302","0.0002","6.842","0.0001","10.3388","0.0001","90","","90","","90","","2499.19","0.05","150","0.1","150","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H30 N2 O2 Pt Se -","- C26 H30 N2 O2 Pt Se -","- C104 H120 N8 O8 Pt4 Se4 -","4","0.5","","Petrenko, Alla; Leitonas, Karolis; Volyniuk, Dmytro; Baryshnikov, Gleb V.; Belyakov, Sergey; Minaev, Boris F.; Ågren, Hans; Durgaryan, Hranush; GraŽulevičius, Juozas Vidas; Arsenyan, Pavel","Benzoselenophenylpyridine platinum complexes: green versus red phosphorescence towards hybrid OLEDs.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3393","3397","10.1039/d0dt00214c","","x-ray","1.54184","CuKα","","0.0339","0.0339","","","0.0927","0.0927","","","","","","1.222","","","","has coordinates","250304","2020-10-21","18:00:00",""
"7703598","5.8878","0.0002","8.7611","0.0003","20.3085","0.0006","90","","90","","90","","1047.59","0.06","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 N Se -","- C13 H9 N Se -","- C52 H36 N4 Se4 -","4","1","","Petrenko, Alla; Leitonas, Karolis; Volyniuk, Dmytro; Baryshnikov, Gleb V.; Belyakov, Sergey; Minaev, Boris F.; Ågren, Hans; Durgaryan, Hranush; GraŽulevičius, Juozas Vidas; Arsenyan, Pavel","Benzoselenophenylpyridine platinum complexes: green versus red phosphorescence towards hybrid OLEDs.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3393","3397","10.1039/d0dt00214c","","","0.71073","MoKα","","0.0324","0.0287","","","0.0634","0.0658","","","","","","1.059","","","","has coordinates","250304","2020-10-21","18:00:00",""
"7703599","16.1302","0.0004","17.213","0.0005","19.109","0.0005","90","","103.268","0.003","90","","5164","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H61 Cl N5 O3 Re -","- C57 H61 Cl N5 O3 Re -","- C228 H244 Cl4 N20 O12 Re4 -","4","1","","Maroń, Anna M; Szlapa-Kula, Agata; Matussek, Marek; Kruszynski, Rafal; Siwy, Mariola; Janeczek, Henryk; Grzelak, Justyna; Maćkowski, Sebastian; Schab-Balcerzak, Ewa; Machura, Barbara","Photoluminescence enhancement of Re(i) carbonyl complexes bearing D-A and D-π-A ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4441","4453","10.1039/c9dt04871e","","","0.71073","MoKα","","0.0689","0.0459","","","0.0859","0.0927","","","","","","1.147","","","","has coordinates,has disorder","251632","2020-10-21","18:00:00",""
"7703600","10.2274","0.0003","9.4057","0.0003","16.1265","0.0005","90","","96.507","0.002","90","","1541.31","0.08","180","2","180","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C20 H46 Cl Cu N4 O3 P2 Se2 -","- C20 H46 Cl Cu N4 O3 P2 Se2 -","- C40 H92 Cl2 Cu2 N8 O6 P4 Se4 -","2","0.5","","Plajer, Alex J.; Lee, Sanha; Bond, Andrew D.; Goodman, Jonathan M.; Wright, Dominic S.","Charge-assisted phosph(v)azane anion receptors.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3403","3407","10.1039/d0dt00489h","","","1.54178","CuKα","","0.0511","0.0425","","","0.1","0.1069","","","","","","1.082","","","","has coordinates,has disorder","250299","2020-10-21","18:00:00",""
"7703601","11.382","0.0003","13.3316","0.0003","28.1088","0.0007","90","","98.8212","0.0014","90","","4214.79","0.18","180","2","180","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H53 B Cu F4 N4 P3 Se2 -","- C34 H53 B Cu F4.003 N4 P3 Se2 -","- C136 H212 B4 Cu4 F16.012 N16 P12 Se8 -","4","1","","Plajer, Alex J.; Lee, Sanha; Bond, Andrew D.; Goodman, Jonathan M.; Wright, Dominic S.","Charge-assisted phosph(v)azane anion receptors.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3403","3407","10.1039/d0dt00489h","","","1.54178","CuKα","","0.0638","0.041","","","0.0879","0.0966","","","","","","1.016","","","","has coordinates","250299","2020-10-21","18:00:00",""
"7703602","10.888","0.0004","19.8347","0.0007","28.1508","0.0009","90","","90.458","0.002","90","","6079.3","0.4","180","2","180","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C53 H70 B2 Cl2 F8 N4 P4 Pd Se2 -","- C52 H68 B2 F8 N4 P4 Pd Se2 -","- C208 H272 B8 F32 N16 P16 Pd4 Se8 -","4","1","","Plajer, Alex J.; Lee, Sanha; Bond, Andrew D.; Goodman, Jonathan M.; Wright, Dominic S.","Charge-assisted phosph(v)azane anion receptors.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3403","3407","10.1039/d0dt00489h","","","1.54178","CuKα","","0.0466","0.0379","","","0.0889","0.0938","","","","","","1.024","","","","has coordinates","250299","2020-10-21","18:00:00",""
"7703603","13.9995","0.0001","13.9995","0.0001","13.7306","0.0002","90","","90","","90","","2691.01","0.05","122.98","0.1","122.98","0.1","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C11 H23 Al N2 -","- C11 H23 Al N2 -","- C88 H184 Al8 N16 -","8","1","","Chernysheva, Anna M.; Weinhart, Michael; Scheer, Manfred; Timoshkin, Alexey Y.","Normal to abnormal I<sup>t</sup>Bu·AlH<sub>3</sub> isomerization in solution and in the solid state.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4665","4668","10.1039/c9dt04698d","","x-ray","1.54184","CuKα","","0.033","0.0317","","","0.0867","0.0877","","","","","","1.047","","","","has coordinates","251659","2020-10-21","18:00:00",""
"7703604","8.5552","0.0005","11.6275","0.0007","13.9902","0.0008","90","","102.264","0.006","90","","1359.92","0.14","123","0.2","123","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H23 Al N2 -","- C11 H23 Al N2 -","- C44 H92 Al4 N8 -","4","1","","Chernysheva, Anna M.; Weinhart, Michael; Scheer, Manfred; Timoshkin, Alexey Y.","Normal to abnormal I<sup>t</sup>Bu·AlH<sub>3</sub> isomerization in solution and in the solid state.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4665","4668","10.1039/c9dt04698d","","x-ray","1.54184","CuKα","","0.0649","0.0599","","","0.167","0.1755","","","","","","1.058","","","","has coordinates","251659","2020-10-21","18:00:00",""
"7703605","13.111","0.002","17.693","0.003","17.135","0.003","90","","93.414","0.003","90","","3967.8","1.1","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cs2 K O43 Se4 Ta6 -","- Cs2 K O43 Se4 Ta6 -","- Cs8 K4 O172 Se16 Ta24 -","4","0.5","","Wang, Haiying; Sun, Junjun; Ma, Yachun; Li, Chen; Li, Nan; Ma, Pengtao; Zhang, Dongdi; Wang, Guan; Wang, Jingping; Niu, Jingyang","Discovery of the selenotantalate building block and its lanthanide derivatives: design, synthesis, and RhB decolorization properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4078","4083","10.1039/c9dt04828f","","","0.71073","MoKα","","0.1017","0.0524","","","0.104","0.1264","","","","","","1.014","","","","has coordinates","250289","2020-10-21","18:00:00",""
"7703606","12.289","0.0005","27.3478","0.0011","13.9854","0.0006","90","","114.031","0.001","90","","4292.8","0.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs Er K O50 Se4 Ta6 -","- Cs Er K O50 Se4 Ta6 -","- Cs4 Er4 K4 O200 Se16 Ta24 -","4","1","","Wang, Haiying; Sun, Junjun; Ma, Yachun; Li, Chen; Li, Nan; Ma, Pengtao; Zhang, Dongdi; Wang, Guan; Wang, Jingping; Niu, Jingyang","Discovery of the selenotantalate building block and its lanthanide derivatives: design, synthesis, and RhB decolorization properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4078","4083","10.1039/c9dt04828f","","","0.71073","MoKα","","0.0468","0.0394","","","0.0954","0.0994","","","","","","1.038","","","","has coordinates","250289","2020-10-21","18:00:00",""
"7703607","12.3034","0.0007","27.2518","0.0015","14.0071","0.0008","90","","113.928","0.001","90","","4292.8","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs K O50 Se4 Ta6 Tb -","- Cs K O50 Se4 Ta6 Tb -","- Cs4 K4 O200 Se16 Ta24 Tb4 -","4","1","","Wang, Haiying; Sun, Junjun; Ma, Yachun; Li, Chen; Li, Nan; Ma, Pengtao; Zhang, Dongdi; Wang, Guan; Wang, Jingping; Niu, Jingyang","Discovery of the selenotantalate building block and its lanthanide derivatives: design, synthesis, and RhB decolorization properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4078","4083","10.1039/c9dt04828f","","","0.71073","MoKα","","0.0435","0.037","","","0.0908","0.0941","","","","","","1.012","","","","has coordinates","250289","2020-10-21","18:00:00",""
"7703608","12.2606","0.0005","27.0796","0.0012","13.9404","0.0006","90","","114.092","0.001","90","","4225.2","0.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs Dy K O50 Se4 Ta6 -","- Cs Dy K O50 Se4 Ta6 -","- Cs4 Dy4 K4 O200 Se16 Ta24 -","4","1","","Wang, Haiying; Sun, Junjun; Ma, Yachun; Li, Chen; Li, Nan; Ma, Pengtao; Zhang, Dongdi; Wang, Guan; Wang, Jingping; Niu, Jingyang","Discovery of the selenotantalate building block and its lanthanide derivatives: design, synthesis, and RhB decolorization properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4078","4083","10.1039/c9dt04828f","","","0.71073","MoKα","","0.0603","0.0466","","","0.1143","0.1233","","","","","","1.008","","","","has coordinates","250289","2020-10-21","18:00:00",""
"7703609","12.3009","0.0007","27.3358","0.0017","14.0022","0.0008","90","","114.018","0.001","90","","4300.7","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs Ho K O50 Se4 Ta6 -","- Cs Ho K O50 Se4 Ta6 -","- Cs4 Ho4 K4 O200 Se16 Ta24 -","4","1","","Wang, Haiying; Sun, Junjun; Ma, Yachun; Li, Chen; Li, Nan; Ma, Pengtao; Zhang, Dongdi; Wang, Guan; Wang, Jingping; Niu, Jingyang","Discovery of the selenotantalate building block and its lanthanide derivatives: design, synthesis, and RhB decolorization properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4078","4083","10.1039/c9dt04828f","","","0.71073","MoKα","","0.0693","0.0433","","","0.0911","0.1032","","","","","","1.027","","","","has coordinates","250289","2020-10-21","18:00:00",""
"7703610","12.2568","0.0007","27.2994","0.0016","13.9755","0.0008","90","","114.166","0.001","90","","4266.4","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs K O50 Se4 Ta6 Yb -","- Cs K O50 Se4 Ta6 Yb -","- Cs4 K4 O200 Se16 Ta24 Yb4 -","4","1","","Wang, Haiying; Sun, Junjun; Ma, Yachun; Li, Chen; Li, Nan; Ma, Pengtao; Zhang, Dongdi; Wang, Guan; Wang, Jingping; Niu, Jingyang","Discovery of the selenotantalate building block and its lanthanide derivatives: design, synthesis, and RhB decolorization properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4078","4083","10.1039/c9dt04828f","","","0.71073","MoKα","","0.0565","0.0413","","","0.0921","0.0997","","","","","","1.018","","","","has coordinates","250289","2020-10-21","18:00:00",""
"7703611","12.268","0.002","27.321","0.005","13.983","0.002","90","","114.134","0.003","90","","4277.1","1.2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs K O50 Se4 Ta6 Tm -","- Cs K O50 Se4 Ta6 Tm -","- Cs4 K4 O200 Se16 Ta24 Tm4 -","4","1","","Wang, Haiying; Sun, Junjun; Ma, Yachun; Li, Chen; Li, Nan; Ma, Pengtao; Zhang, Dongdi; Wang, Guan; Wang, Jingping; Niu, Jingyang","Discovery of the selenotantalate building block and its lanthanide derivatives: design, synthesis, and RhB decolorization properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4078","4083","10.1039/c9dt04828f","","","0.71073","MoKα","","0.0697","0.0465","","","0.103","0.1141","","","","","","1.029","","","","has coordinates","250289","2020-10-21","18:00:00",""
"7703612","19.078","0.005","12.031","0.003","17.935","0.004","90","","113.406","0.012","90","","3777.8","1.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cl2 Cu N6 O11 -","- C38 H32 Cl2 Cu N6 O11 -","- C152 H128 Cl8 Cu4 N24 O44 -","4","1","","Jain, Surbhi; Bhar, Kishalay; Kumar, Sandeep; Bandyopadhyaya, Shreetama; Tapryal, Suman; Mandal, Chandi C.; Sharma, Anuj K.","Homo- and heteroleptic trimethoxy terpyridine-Cu(ii) complexes: synthesis, characterization, DNA/BSA binding, DNA cleavage and cytotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4100","4113","10.1039/d0dt00209g","","","0.71073","MoKα","","0.0989","0.0825","","","0.2189","0.2326","","","","","","1.117","","","","has coordinates","298703","2025-04-03","05:34:23",""
"7703613","9.1079","0.0004","12.5746","0.0004","14.8504","0.0007","70.65","0.004","88.016","0.004","73.255","0.004","1533.18","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Cl2 Cu N5 O11 -","- C28 H27 Cl2 Cu N5 O11 -","- C56 H54 Cl4 Cu2 N10 O22 -","2","1","","Jain, Surbhi; Bhar, Kishalay; Kumar, Sandeep; Bandyopadhyaya, Shreetama; Tapryal, Suman; Mandal, Chandi C.; Sharma, Anuj K.","Homo- and heteroleptic trimethoxy terpyridine-Cu(ii) complexes: synthesis, characterization, DNA/BSA binding, DNA cleavage and cytotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4100","4113","10.1039/d0dt00209g","","","0.71073","MoKα","","0.0486","0.0427","","","0.1152","0.1208","","","","","","1.057","","","","has coordinates","250290","2020-10-21","18:00:00",""
"7703614","9.6483","0.0004","12.9618","0.0006","20.917","0.0009","91.46","0.003","100.086","0.003","107.065","0.003","2453.82","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H45 Cl2 Cu N7 O14 -","- C50 H45 Cl2 Cu N7 O14 -","- C100 H90 Cl4 Cu2 N14 O28 -","2","1","","Jain, Surbhi; Bhar, Kishalay; Kumar, Sandeep; Bandyopadhyaya, Shreetama; Tapryal, Suman; Mandal, Chandi C.; Sharma, Anuj K.","Homo- and heteroleptic trimethoxy terpyridine-Cu(ii) complexes: synthesis, characterization, DNA/BSA binding, DNA cleavage and cytotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4100","4113","10.1039/d0dt00209g","","","0.71073","MoKα","","0.086","0.0768","","","0.1962","0.2029","","","","","","1.169","","","","has coordinates","250290","2020-10-21","18:00:00",""
"7703615","10.9799","0.0005","14.7027","0.0005","35.1126","0.0009","90","","90","","90","","5668.4","0.4","170","2","170","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C212 H136 F48 Fe4 O28 P8 Ru12 S4 -","4","1","","Abdel-Magied, Ahmed F; Theibich, Yusuf; Singh, Amrendra K.; Rahaman, Ahibur; Doverbratt, Isa; Raha, Arun K.; Haukka, Matti; Richmond, Michael G.; Nordlander, Ebbe","Asymmetric hydrogenation of an α-unsaturated carboxylic acid catalyzed by intact chiral transition metal carbonyl clusters - diastereomeric control of enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4244","4256","10.1039/c9dt04799a","","","0.71073","MoKα","","0.0835","0.0518","","","0.0753","0.0856","","","","","","1.007","","","","has coordinates","251648","2020-10-21","18:00:00",""
"7703616","11.9655","0.0004","20.1151","0.0005","49.045","0.003","90","","90","","90","","11804.5","0.9","170","2","170","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C424 H272 F96 Fe8 O56 P16 Ru24 S8 -","8","2","","Abdel-Magied, Ahmed F; Theibich, Yusuf; Singh, Amrendra K.; Rahaman, Ahibur; Doverbratt, Isa; Raha, Arun K.; Haukka, Matti; Richmond, Michael G.; Nordlander, Ebbe","Asymmetric hydrogenation of an α-unsaturated carboxylic acid catalyzed by intact chiral transition metal carbonyl clusters - diastereomeric control of enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4244","4256","10.1039/c9dt04799a","","","0.71073","MoKα","","0.1523","0.1029","","","0.1685","0.1984","","","","","","1.073","","","","has coordinates","251648","2020-10-21","18:00:00",""
"7703617","12.11044","0.00017","20.7626","0.0004","21.0868","0.0004","90","","90","","90","","5302.15","0.16","170","2","170","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C101 H83 Fe2 O14 P4 Ru6 S2 -","- C101 H83 Fe2 O14 P4 Ru6 S2 -","- C202 H166 Fe4 O28 P8 Ru12 S4 -","2","0.5","","Abdel-Magied, Ahmed F; Theibich, Yusuf; Singh, Amrendra K.; Rahaman, Ahibur; Doverbratt, Isa; Raha, Arun K.; Haukka, Matti; Richmond, Michael G.; Nordlander, Ebbe","Asymmetric hydrogenation of an α-unsaturated carboxylic acid catalyzed by intact chiral transition metal carbonyl clusters - diastereomeric control of enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4244","4256","10.1039/c9dt04799a","","","0.71073","","","0.0704","0.0503","","","0.1054","0.1184","","","","","","1.045","","","","has coordinates,has disorder","251648","2020-10-21","18:00:00",""
"7703618","10.4751","0.0002","17.546","0.0004","30.9412","0.0008","90","","90","","90","","5686.9","0.2","170","2","170","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H50 Fe O7 P2 Ru3 S -","- C49 H50 Fe O7 P2 Ru3 S -","- C196 H200 Fe4 O28 P8 Ru12 S4 -","4","1","","Abdel-Magied, Ahmed F; Theibich, Yusuf; Singh, Amrendra K.; Rahaman, Ahibur; Doverbratt, Isa; Raha, Arun K.; Haukka, Matti; Richmond, Michael G.; Nordlander, Ebbe","Asymmetric hydrogenation of an α-unsaturated carboxylic acid catalyzed by intact chiral transition metal carbonyl clusters - diastereomeric control of enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4244","4256","10.1039/c9dt04799a","","","0.71073","MoKα","","0.0416","0.0322","","","0.0629","0.0666","","","","","","1.008","","","","has coordinates","251648","2020-10-21","18:00:00",""
"7703619","15.06019","0.00016","18.1823","0.0002","15.73196","0.00019","90","","90","","90","","4307.87","0.08","170","2","170","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C43 H46 Fe O7 P2 Ru3 S -","- C43 H46 Fe O7 P2 Ru3 S -","- C172 H184 Fe4 O28 P8 Ru12 S4 -","4","1","","Abdel-Magied, Ahmed F; Theibich, Yusuf; Singh, Amrendra K.; Rahaman, Ahibur; Doverbratt, Isa; Raha, Arun K.; Haukka, Matti; Richmond, Michael G.; Nordlander, Ebbe","Asymmetric hydrogenation of an α-unsaturated carboxylic acid catalyzed by intact chiral transition metal carbonyl clusters - diastereomeric control of enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4244","4256","10.1039/c9dt04799a","","","0.71073","MoKα","","0.0378","0.03","","","0.0608","0.0645","","","","","","1.077","","","","has coordinates,has disorder","251648","2020-10-21","18:00:00",""
"7703620","14.9044","0.0002","24.9178","0.0004","14.7954","0.0002","90","","99.887","0.001","90","","5413.18","0.14","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C212 H136 F48 Fe4 O28 P8 Ru12 S4 -","4","1","","Abdel-Magied, Ahmed F; Theibich, Yusuf; Singh, Amrendra K.; Rahaman, Ahibur; Doverbratt, Isa; Raha, Arun K.; Haukka, Matti; Richmond, Michael G.; Nordlander, Ebbe","Asymmetric hydrogenation of an α-unsaturated carboxylic acid catalyzed by intact chiral transition metal carbonyl clusters - diastereomeric control of enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4244","4256","10.1039/c9dt04799a","","","0.71073","MoKα","","0.0249","0.0218","","","0.0511","0.0526","","","","","","1.027","","","","has coordinates,has disorder","251648","2020-10-21","18:00:00",""
"7703621","17.9576","0.0009","59.4487","0.0011","10.978","0.005","90","","90","","90","","11720","5","293","","293","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C106 H68 F24 Fe2 O14 P4 Ru6 S2 -","- C106 H68 F24 Fe2 O14 P4 Ru6 S2 -","- C424 H272 F96 Fe8 O56 P16 Ru24 S8 -","4","1","","Abdel-Magied, Ahmed F; Theibich, Yusuf; Singh, Amrendra K.; Rahaman, Ahibur; Doverbratt, Isa; Raha, Arun K.; Haukka, Matti; Richmond, Michael G.; Nordlander, Ebbe","Asymmetric hydrogenation of an α-unsaturated carboxylic acid catalyzed by intact chiral transition metal carbonyl clusters - diastereomeric control of enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4244","4256","10.1039/c9dt04799a","","x-ray","0.71073","MoKα","","0.0762","0.0675","","","0.1872","0.1922","","","","2","2","1.94","","","","has coordinates","288072","2023-12-06","13:08:12",""
"7703622","20.839","0.011","18.237","0.009","21.622","0.011","90","","99.994","0.007","90","","8093","7","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C26 H62 Fe2 Mo12 N4 Na4 O71 P8 -","- C26 H32 Fe2 Mo12 N4 Na4 O71 P8 -","- C104 H128 Fe8 Mo48 N16 Na16 O284 P32 -","4","0.5","","Xin, Xing; Hu, Na; Ma, Yuanyuan; Wang, Yali; Hou, Lin; Zhang, Heng; Han, Zhangang","Polyoxometalate-based crystalline materials as a highly sensitive electrochemical sensor for detecting trace Cr(vi).","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4570","4577","10.1039/d0dt00446d","","","0.71073","MoKα","","0.0427","0.0413","","","0.122","0.1232","","","","","","1.064","","","","has coordinates,has disorder","251631","2020-10-21","18:00:00",""
"7703623","14.478","0.008","15.038","0.009","26.595","0.015","79.208","0.008","81.821","0.008","70.161","0.007","5331","5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C104 H184 Fe2 Mo24 N16 O137 P16 -","- C104 H156 Fe2 Mo24 N16 O137 P16 -","- C104 H156 Fe2 Mo24 N16 O137 P16 -","1","0.5","","Xin, Xing; Hu, Na; Ma, Yuanyuan; Wang, Yali; Hou, Lin; Zhang, Heng; Han, Zhangang","Polyoxometalate-based crystalline materials as a highly sensitive electrochemical sensor for detecting trace Cr(vi).","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4570","4577","10.1039/d0dt00446d","","","0.71073","MoKα","","0.0467","0.0429","","","0.1144","0.1177","","","","","","1.059","","","","has coordinates","251631","2020-10-21","18:00:00",""
"7703624","14.085","0.004","15.2","0.005","15.861","0.005","109.863","0.004","110.609","0.004","100.39","0.004","2810.4","1.5","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 N4 O8.5 Ru S2 -","- C24 H29 N4 O8.5 Ru S2 -","- C96 H116 N16 O34 Ru4 S8 -","4","2","","Yang, Jing; Liu, Bin; Duan, Lele","Structural evolution of the Ru-bms complex to the real water oxidation catalyst of Ru-bda: the bite angle matters.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4369","4375","10.1039/c9dt04693c","","","0.71073","MoKα","","0.0892","0.0506","","","0.1072","0.1214","","","","","","0.964","","","","has coordinates","251634","2020-10-21","18:00:00",""
"7703625","49.6","0.05","13.026","0.016","18.521","0.018","90","","90","","90","","11966","2","298","2","298.03","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C54 H36 Co2 N8 O8 -","- C54 H36 Co2 N8 O8 -","- C432 H288 Co16 N64 O64 -","8","1","","Zhang, Xiao; Wang, Lu-Jie; Han, Zhen; Meng, Xing; Wang, Hai-Ning; Zhou, Zi-Yan; Su, Zhong-Min","Degradation of azo dyes under visible light with stable MOF based on tetrastyrene imidazole ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4352","4357","10.1039/d0dt00415d","","","0.71073","MoKα","","0.2405","0.0986","","","0.2278","0.2871","","","","","","0.988","","","","has coordinates,has disorder","251640","2020-10-21","18:00:00",""
"7703626","12.6375","0.0016","13.5987","0.0017","15.052","0.003","85.585","0.005","65.242","0.003","88.095","0.003","2342","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H55 Co2 N7 O9 -","- C42 H43 Co2 N3 O9 -","- C84 H86 Co4 N6 O18 -","2","1","","Kharwar, Ajit Kumar; Konar, Sanjit","Exchange coupled Co(ii) based layered and porous metal-organic frameworks: structural diversity, gas adsorption, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4012","4021","10.1039/d0dt00211a","","","0.71073","MoKα","","0.1644","0.1141","","","0.2577","0.2759","","","","","","1.028","","","","has coordinates,has disorder","250287","2020-10-21","18:00:00",""
"7703627","9.8382","0.0006","22.024","0.0015","13.1803","0.0009","90","","105.926","0.002","90","","2746.2","0.3","147","2","147.53","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C24 H20 Co1.5 N2.75 O7.5 S1.5 -","- C24 H20 Co1.5 N2.75 O7.5 S1.5 -","- C96 H80 Co6 N11 O30 S6 -","4","1","","Kharwar, Ajit Kumar; Konar, Sanjit","Exchange coupled Co(ii) based layered and porous metal-organic frameworks: structural diversity, gas adsorption, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4012","4021","10.1039/d0dt00211a","","","0.71073","MoKα","","0.0462","0.0358","","","0.0844","0.0886","","","","","","1.053","","","","has coordinates,has disorder","250287","2020-10-21","18:00:00",""
"7703628","15.2801","0.0011","23.978","0.0017","28.247","0.002","90","","90","","90","","10349.3","1.3","100","","100","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C56 H42 Co2 N6 O11 -","- C50 H33 Co2 N3 O11 -","- C400 H264 Co16 N24 O88 -","8","0.5","","Kharwar, Ajit Kumar; Konar, Sanjit","Exchange coupled Co(ii) based layered and porous metal-organic frameworks: structural diversity, gas adsorption, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4012","4021","10.1039/d0dt00211a","","","0.71073","MoKα","","0.1236","0.0836","","","0.2091","0.2314","","","","","","1.059","","","","has coordinates,has disorder","250287","2020-10-21","18:00:00",""
"7703629","39.286","0.003","11.1011","0.0007","15.0416","0.001","90","","106.197","0.002","90","","6299.5","0.8","140","2","140","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 Co1.5 N4 O7 -","- C36 H26 Co1.5 N4 O7 -","- C288 H208 Co12 N32 O56 -","8","1","","Kharwar, Ajit Kumar; Konar, Sanjit","Exchange coupled Co(ii) based layered and porous metal-organic frameworks: structural diversity, gas adsorption, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4012","4021","10.1039/d0dt00211a","","","0.71073","MoKα","","0.124","0.0642","","","0.0981","0.114","","","","","","1.047","","","","has coordinates","250287","2020-10-21","18:00:00",""
"7703630","13.608","0.0002","12.0908","0.0001","14.8143","0.0002","90","","110.984","0.002","90","","2275.77","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 Au Cl N2 -","- C27 H22 Au Cl N2 -","- C108 H88 Au4 Cl4 N8 -","4","1","","Maliszewska, Hanna K.; Hughes, David L.; Muñoz, María Paz","Allene-derived gold and platinum complexes: synthesis and first applications in catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4034","4038","10.1039/d0dt00665c","","x-ray","0.71073","MoKα","","0.0295","0.0252","","","0.0555","0.0566","","","","","","1.106","","","","has coordinates","250286","2020-10-21","18:00:00",""
"7703631","10.7752","0.0002","14.9805","0.0003","17.339","0.0003","90","","96.371","0.002","90","","2781.54","0.09","140.2","0.9","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Au Cl5 N2 -","- C28 H24 Au Cl5 N2 -","- C112 H96 Au4 Cl20 N8 -","4","1","","Maliszewska, Hanna K.; Hughes, David L.; Muñoz, María Paz","Allene-derived gold and platinum complexes: synthesis and first applications in catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4034","4038","10.1039/d0dt00665c","","","0.71073","Mo-Kα","","0.0305","0.0233","","","0.0467","0.0484","","","","","","1.046","","","","has coordinates","250286","2020-10-21","18:00:00",""
"7703632","10.03923","0.00005","10.03923","0.00005","21.99014","0.00018","90","","90","","90","","2216.3","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 41","P 4w","76","","","","- C25 H26 Au Cl N2 -","- C25 H26 Au Cl N2 -","- C100 H104 Au4 Cl4 N8 -","4","1","","Maliszewska, Hanna K.; Hughes, David L.; Muñoz, María Paz","Allene-derived gold and platinum complexes: synthesis and first applications in catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4034","4038","10.1039/d0dt00665c","","x-ray","0.71073","MoKα","","0.0138","0.013","","","0.0289","0.0291","","","","","","1.087","","","","has coordinates","250286","2020-10-21","18:00:00",""
"7703633","9.327","0.0003","11.8674","0.0005","12.9754","0.0004","105.467","0.003","91.48","0.003","102.873","0.003","1343.84","0.09","140","1","140","1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 Cl5 N2 Pt -","- C26 H27 Cl5 N2 Pt -","- C52 H54 Cl10 N4 Pt2 -","2","1","","Maliszewska, Hanna K.; Hughes, David L.; Muñoz, María Paz","Allene-derived gold and platinum complexes: synthesis and first applications in catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4034","4038","10.1039/d0dt00665c","","","0.71073","Mo-Kα","","0.0589","0.0538","","","0.1344","0.1407","","","","","","1.065","","","","has coordinates","250286","2020-10-21","18:00:00",""
"7703634","9.46335","0.00014","19.7083","0.0002","14.0613","0.0002","90","","108.285","0.0015","90","","2490.11","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 Au Cl3 N2 -","- C25 H26 Au Cl3 N2 -","- C100 H104 Au4 Cl12 N8 -","4","1","","Maliszewska, Hanna K.; Hughes, David L.; Muñoz, María Paz","Allene-derived gold and platinum complexes: synthesis and first applications in catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4034","4038","10.1039/d0dt00665c","","x-ray","0.71073","MoKα","","0.0211","0.0184","","","0.0411","0.0418","","","","","","1.053","","","","has coordinates","250286","2020-10-21","18:00:00",""
"7703635","23.3898","0.0004","14.3443","0.0002","25.8557","0.0004","90","","107.5","0.002","90","","8273.4","0.2","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C83 H49 Eu F18 O8 P2 -","- C83 H49 Eu F18 O8 P2 -","- C332 H196 Eu4 F72 O32 P8 -","4","1","","Kitagawa, Yuichi; Kumagai, Marina; Ferreira da Rosa, P. P.; Fushimi, Koji; Hasegawa, Yasuchika","First demonstration of the π-f orbital interaction depending on the coordination geometry in Eu(iii) luminophores.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3098","3101","10.1039/d0dt00528b","","x-ray","0.71073","MoKα","","0.0681","0.0541","","","0.127","0.1321","","","","","","1.109","","","","has coordinates","250278","2020-10-21","18:00:00",""
"7703636","14.3455","0.0012","14.9749","0.0012","15.6278","0.0012","74.924","0.002","72.614","0.002","65.525","0.002","2879.8","0.4","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H44 Co4 N28 O6 -","- C50 H44 Co4 N28 O6 -","- C100 H88 Co8 N56 O12 -","2","1","","Yang, Jiong; Deng, Yi-Fei; Zhang, Yuan-Zhu","Two azido-bridged homospin Fe(ii)/Co(ii) coordination polymers featuring single-chain magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4805","4810","10.1039/d0dt00181c","","x-ray","0.71073","MoKα","","0.0583","0.0414","","","0.1024","0.11","","","","","","1.02","","","","has coordinates","251657","2020-10-21","18:00:00",""
"7703637","10.4817","0.0011","10.8265","0.0011","13.7875","0.0013","67.79","0.003","82.931","0.003","66.883","0.003","1331.6","0.2","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Fe2 N14 O2 -","- C24 H18 Fe2 N14 O2 -","- C48 H36 Fe4 N28 O4 -","2","1","","Yang, Jiong; Deng, Yi-Fei; Zhang, Yuan-Zhu","Two azido-bridged homospin Fe(ii)/Co(ii) coordination polymers featuring single-chain magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4805","4810","10.1039/d0dt00181c","","x-ray","0.71073","MoKα","","0.0397","0.03","","","0.0739","0.0864","","","","","","1.191","","","","has coordinates","251657","2020-10-21","18:00:00",""
"7703638","11.5856","0.0009","12.9455","0.001","13.6796","0.001","80.891","0.003","66.13","0.003","63.965","0.003","1685.3","0.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H18.5 Br4 Cl3 N4 O2 Zn -","- C33 H18 Br4 Cl3 N4 O2 Zn -","- C66 H36 Br8 Cl6 N8 O4 Zn2 -","2","1","","Ghorai, Pravat; Pal, Kunal; Karmakar, Parimal; Saha, Amrita","The development of two fluorescent chemosensors for the selective detection of Zn<sup>2+</sup> and Al<sup>3+</sup> ions in a quinoline platform by tuning the substituents in the receptor part: elucidation of the structures of the metal-bound chemosensors and biological studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4758","4773","10.1039/c9dt04902a","","","0.71073","MoKα","","0.2214","0.115","","","0.149","0.1781","","","","","","1.159","","","","has coordinates","251658","2020-10-21","18:00:00",""
"7703639","12.5503","0.0009","14.1977","0.001","16.88","0.0012","90","","101.622","0.002","90","","2946.1","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 Al N7 O9 -","- C32 H20 Al N7 O9 -","- C128 H80 Al4 N28 O36 -","4","1","","Ghorai, Pravat; Pal, Kunal; Karmakar, Parimal; Saha, Amrita","The development of two fluorescent chemosensors for the selective detection of Zn<sup>2+</sup> and Al<sup>3+</sup> ions in a quinoline platform by tuning the substituents in the receptor part: elucidation of the structures of the metal-bound chemosensors and biological studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4758","4773","10.1039/c9dt04902a","","","0.71073","MoKα","","0.1071","0.0936","","","0.3187","0.3438","","","","","","1.51","","","","has coordinates","251658","2020-10-21","18:00:00",""
"7703640","8.475","0.005","12.071","0.006","15.976","0.009","91.492","0.013","96.673","0.012","108.444","0.012","1536.5","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H68 F12 Mn2 N8 O5 P2 -","- C61 H68 F12 Mn2 N8 O5 P2 -","- C61 H68 F12 Mn2 N8 O5 P2 -","1","0.5","","Zhao, Sheng-Ze; Qin, Chun-Yan; Wang, Shi; Yamashita, Masahiro; Li, Yong-Hua; Huang, Wei","Structure-function correlations in mononuclear manganese(iii) spin crossover systems with a big conjugated hexadentate Schiff-base ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4293","4305","10.1039/c9dt04882k","","","0.71073","MoKα","","0.0589","0.0386","","","0.1103","0.1198","","","","","","1.096","","","","has coordinates,has disorder","251637","2020-10-21","18:00:00",""
"7703641","8.4847","0.0012","12.1212","0.0019","16.144","0.002","92.47","0.004","96.645","0.004","107.93","0.004","1563.6","0.4","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H68 F12 Mn2 N8 O5 P2 -","- C61 H68 F12 Mn2 N8 O5 P2 -","- C61 H68 F12 Mn2 N8 O5 P2 -","1","0.5","","Zhao, Sheng-Ze; Qin, Chun-Yan; Wang, Shi; Yamashita, Masahiro; Li, Yong-Hua; Huang, Wei","Structure-function correlations in mononuclear manganese(iii) spin crossover systems with a big conjugated hexadentate Schiff-base ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4293","4305","10.1039/c9dt04882k","","","0.71073","MoKα","","0.07","0.0521","","","0.1407","0.1616","","","","","","1.111","","","","has coordinates,has disorder","251637","2020-10-21","18:00:00",""
"7703642","7.502","0.004","12.789","0.007","14.764","0.008","90","","90","","90","","1416.5","1.3","93","2","93","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 H32 Cl Mn N4 O6 -","- C30 H32 Cl Mn N4 O6 -","- C60 H64 Cl2 Mn2 N8 O12 -","2","0.5","","Zhao, Sheng-Ze; Qin, Chun-Yan; Wang, Shi; Yamashita, Masahiro; Li, Yong-Hua; Huang, Wei","Structure-function correlations in mononuclear manganese(iii) spin crossover systems with a big conjugated hexadentate Schiff-base ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4293","4305","10.1039/c9dt04882k","","","0.71075","MoKα","","0.0387","0.0342","","","0.0743","0.0765","","","","","","1.059","","","","has coordinates","251637","2020-10-21","18:00:00",""
"7703643","8.0135","0.0007","16.2305","0.0012","23.848","0.0018","90","","99.336","0.002","90","","3060.7","0.4","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 As F6 Mn N4 O2 -","- C30 H32 As F6 Mn N4 O2 -","- C120 H128 As4 F24 Mn4 N16 O8 -","4","1","","Zhao, Sheng-Ze; Qin, Chun-Yan; Wang, Shi; Yamashita, Masahiro; Li, Yong-Hua; Huang, Wei","Structure-function correlations in mononuclear manganese(iii) spin crossover systems with a big conjugated hexadentate Schiff-base ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4293","4305","10.1039/c9dt04882k","","","0.71073","MoKα","","0.0748","0.047","","","0.1217","0.1456","","","","","","1.079","","","","has coordinates","251637","2020-10-21","18:00:00",""
"7703644","7.883","0.003","48.72","0.02","22.888","0.01","90","","99.105","0.012","90","","8680","6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 As F6 Mn N4 O2 -","- C30 H32 As F6 Mn N4 O2 -","- C360 H384 As12 F72 Mn12 N48 O24 -","12","3","","Zhao, Sheng-Ze; Qin, Chun-Yan; Wang, Shi; Yamashita, Masahiro; Li, Yong-Hua; Huang, Wei","Structure-function correlations in mononuclear manganese(iii) spin crossover systems with a big conjugated hexadentate Schiff-base ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4293","4305","10.1039/c9dt04882k","","","0.71073","MoKα","","0.068","0.0456","","","0.0904","0.0976","","","","","","1.068","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7703645","8.0307","0.0015","16.535","0.003","23.878","0.004","90","","98.735","0.005","90","","3133.9","1","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 F6 Mn N4 O2 Sb -","- C30 H32 F6 Mn N4 O2 Sb -","- C120 H128 F24 Mn4 N16 O8 Sb4 -","4","1","","Zhao, Sheng-Ze; Qin, Chun-Yan; Wang, Shi; Yamashita, Masahiro; Li, Yong-Hua; Huang, Wei","Structure-function correlations in mononuclear manganese(iii) spin crossover systems with a big conjugated hexadentate Schiff-base ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4293","4305","10.1039/c9dt04882k","","","0.71073","MoKα","","0.0683","0.0417","","","0.0907","0.1023","","","","","","1.023","","","","has coordinates","251637","2020-10-21","18:00:00",""
"7703646","7.641","0.003","12.994","0.004","14.716","0.005","90","","90","","90","","1461.1","0.9","273","2","273","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 H32 Cl Mn N4 O6 -","- C30 H32 Cl Mn N4 O6 -","- C60 H64 Cl2 Mn2 N8 O12 -","2","0.5","","Zhao, Sheng-Ze; Qin, Chun-Yan; Wang, Shi; Yamashita, Masahiro; Li, Yong-Hua; Huang, Wei","Structure-function correlations in mononuclear manganese(iii) spin crossover systems with a big conjugated hexadentate Schiff-base ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4293","4305","10.1039/c9dt04882k","","","0.71075","MoKα","","0.0513","0.0443","","","0.1087","0.113","","","","","","1.053","","","","has coordinates","251637","2020-10-21","18:00:00",""
"7703647","7.9515","0.0007","16.5772","0.0014","22.8646","0.0019","90","","98.186","0.002","90","","2983.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 F6 Mn N4 O2 Sb -","- C30 H32 F6 Mn N4 O2 Sb -","- C120 H128 F24 Mn4 N16 O8 Sb4 -","4","1","","Zhao, Sheng-Ze; Qin, Chun-Yan; Wang, Shi; Yamashita, Masahiro; Li, Yong-Hua; Huang, Wei","Structure-function correlations in mononuclear manganese(iii) spin crossover systems with a big conjugated hexadentate Schiff-base ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4293","4305","10.1039/c9dt04882k","","","0.71073","MoKα","","0.0399","0.0292","","","0.058","0.0615","","","","","","1.078","","","","has coordinates","251637","2020-10-21","18:00:00",""
"7703648","11.088","0.003","12.398","0.003","16.239","0.004","101.544","0.004","100.791","0.004","100.566","0.004","2091.2","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H47 Fe N9 O9 -","- C45 H47 Fe N9 O9 -","- C90 H94 Fe2 N18 O18 -","2","1","","Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki","Heteroleptic iron(ii) complexes with naphthoquinone-type ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1485","1491","10.1039/c9dt03946e","","","0.71073","MoKα","","0.1474","0.077","","","0.1762","0.2193","","","","","","1.067","","","","has coordinates","248764","2020-10-21","18:00:00",""
"7703649","10.55","0.02","13.14","0.03","28.26","0.07","95.12","0.02","91.64","0.019","107.52","0.05","3715","14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 Fe N6 O6 -","- C32 H16 Fe N6 O6 -","- C128 H64 Fe4 N24 O24 -","4","2","","Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki","Heteroleptic iron(ii) complexes with naphthoquinone-type ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1485","1491","10.1039/c9dt03946e","","","0.71073","MoKα","","0.1644","0.1197","","","0.2882","0.3019","","","","","","1.413","","","","has coordinates","295862","2024-11-09","12:08:13",""
"7703650","17.374","0.003","28.891","0.006","16.217","0.003","90","","90","","90","","8140","3","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C44 H36 Fe N10 O6 -","- C44 H36 Fe N10 O6 -","- C352 H288 Fe8 N80 O48 -","8","0.5","","Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki","Heteroleptic iron(ii) complexes with naphthoquinone-type ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1485","1491","10.1039/c9dt03946e","","","0.71073","MoKα","","0.0394","0.0321","","","0.0662","0.0689","","","","","","1.018","","","","has coordinates","248764","2020-10-21","18:00:00",""
"7703651","11.6257","0.0011","13.692","0.0012","13.7914","0.0012","106.572","0.0012","111.161","0.0011","94.9087","0.0012","1918.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 Fe N12 O6 -","- C42 H32 Fe N12 O6 -","- C84 H64 Fe2 N24 O12 -","2","1","","Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki","Heteroleptic iron(ii) complexes with naphthoquinone-type ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1485","1491","10.1039/c9dt03946e","","","0.71073","MoKα","","0.0644","0.0541","","","0.1647","0.1778","","","","","","1.288","","","","has coordinates,has disorder","248764","2020-10-21","18:00:00",""
"7703652","9.26","0.007","32.13","0.03","18.517","0.015","90","","103.237","0.009","90","","5363","8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H22 B F4 Fe N9 O6 -","- C48 H22 B F4 Fe N9 O6 -","- C192 H88 B4 F16 Fe4 N36 O24 -","4","0.5","","Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki","Heteroleptic iron(ii) complexes with naphthoquinone-type ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1485","1491","10.1039/c9dt03946e","","","0.71073","MoKα","","0.2146","0.0977","","","0.2502","0.2905","","","","","","0.87","","","","has coordinates","248764","2020-10-21","18:00:00",""
"7703653","14.218","0.003","17.474","0.004","15.627","0.004","90","","109.818","0.003","90","","3652.5","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H37 Fe N9 O5 -","- C41 H37 Fe N9 O5 -","- C164 H148 Fe4 N36 O20 -","4","1","","Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki","Heteroleptic iron(ii) complexes with naphthoquinone-type ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1485","1491","10.1039/c9dt03946e","","","0.71073","MoKα","","0.1024","0.0603","","","0.1455","0.176","","","","","","1.039","","","","has coordinates","248764","2020-10-21","18:00:00",""
"7703654","11.339","0.003","12.582","0.003","16.37","0.004","100.776","0.004","101.014","0.004","101.059","0.004","2188.4","0.9","270","2","270","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H47 Fe N9 O9 -","- C45 H47 Fe N9 O9 -","- C90 H94 Fe2 N18 O18 -","2","1","","Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki","Heteroleptic iron(ii) complexes with naphthoquinone-type ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1485","1491","10.1039/c9dt03946e","","","0.71073","MoKα","","0.2732","0.0886","","","0.1564","0.2399","","","","","","1.028","","","","has coordinates","248764","2020-10-21","18:00:00",""
"7703655","14.317","0.005","17.962","0.006","15.991","0.005","90","","110.23","0.005","90","","3859","2","270","2","270","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H37 Fe N9 O5 -","- C41 H37 Fe N9 O5 -","- C164 H148 Fe4 N36 O20 -","4","1","","Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki","Heteroleptic iron(ii) complexes with naphthoquinone-type ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1485","1491","10.1039/c9dt03946e","","","0.71073","MoKα","","0.3249","0.181","","","0.2736","0.3449","","","","","","1.056","","","","has coordinates","248764","2020-10-21","18:00:00",""
"7703656","7.8439","0.0005","7.8757","0.0005","13.5483","0.0009","90","","96.881","0.002","90","","830.93","0.09","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 K N5 O6 -","- C4 H2 K N5 O6 -","- C16 H8 K4 N20 O24 -","4","1","","Lei, Caijin; Yang, Hongwei; Cheng, Guangbin","New pyrazole energetic materials and their energetic salts: combining the dinitromethyl group with nitropyrazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1660","1667","10.1039/c9dt04235k","","","0.71073","MoKα","","0.035","0.0274","","","0.0631","0.0684","","","","","","0.95","","","","has coordinates","248765","2020-10-21","18:00:00",""
"7703657","7.1753","0.0003","14.9458","0.0006","15.9277","0.0006","90","","90","","90","","1708.1","0.12","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H6 N6 O6 -","- C4 H6 N6 O6 -","- C32 H48 N48 O48 -","8","1","","Lei, Caijin; Yang, Hongwei; Cheng, Guangbin","New pyrazole energetic materials and their energetic salts: combining the dinitromethyl group with nitropyrazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1660","1667","10.1039/c9dt04235k","","","0.71073","MoKα","","0.0692","0.0461","","","0.0902","0.0998","","","","","","1.1","","","","has coordinates","248765","2020-10-21","18:00:00",""
"7703658","7.1249","0.0014","14.795","0.003","15.912","0.003","90","","90","","90","","1677.3","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H2 N5 Na O6 -","- C4 H2 N5 Na O6 -","- C32 H16 N40 Na8 O48 -","8","1","","Lei, Caijin; Yang, Hongwei; Cheng, Guangbin","New pyrazole energetic materials and their energetic salts: combining the dinitromethyl group with nitropyrazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1660","1667","10.1039/c9dt04235k","","","0.71073","MoKα","","0.0942","0.0592","","","0.1583","0.1803","","","","","","1.116","","","","has coordinates","248765","2020-10-21","18:00:00",""
"7703659","12.035","0.002","14.4979","0.0019","30.215","0.005","93.041","0.004","96.612","0.005","113.699","0.004","4766.6","1.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H3 N5 O6 -","- C4 H3 N5 O6 -","- C96 H72 N120 O144 -","24","12","","Lei, Caijin; Yang, Hongwei; Cheng, Guangbin","New pyrazole energetic materials and their energetic salts: combining the dinitromethyl group with nitropyrazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1660","1667","10.1039/c9dt04235k","","","0.71073","MoKα","","0.176","0.0944","","","0.214","0.26","","","","","","1.044","","","","has coordinates","248765","2020-10-21","18:00:00",""
"7703660","11.5468","0.0004","13.4262","0.0003","4.4785","0.0001","90","","90","","90","","694.3","0.03","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- B Cs H2 O8 P2 -","- B Cs H2 O8 P2 -","- B4 Cs4 H8 O32 P8 -","4","1","","Feng, Yuquan; Li, Zhenke; Zhong, Zhiguo; Wang, Hongwei; Qiu, Dongfang","CsBP<sub>2</sub>O<sub>6</sub>(OH)<sub>2</sub>: a second-order NLO material with a unique borophosphate anionic partial structure and strong SHG effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1388","1392","10.1039/c9dt04358f","","","0.71073","MoKα","","0.0276","0.0274","","","0.0622","0.0623","","","","","","1.093","","","","has coordinates,has disorder","248766","2020-10-21","18:00:00",""
"7703661","22.745","0.007","16.871","0.005","18.568","0.006","90","","104.513","0.004","90","","6898","4","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H51 N2 Na O5.5 -","- C35.5 H47 N2 Na O5.5 -","- C284 H376 N16 Na8 O44 -","8","1","","Devaine-Pressing, Katalin; Oldenburg, Fabio J.; Menzel, Jan P.; Springer, Maximilian; Dawe, Louise N.; Kozak, Christopher M.","Lithium, sodium, potassium and calcium amine-bis(phenolate) complexes in the ring-opening polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1531","1544","10.1039/c9dt04561a","","","0.71075","MoKα","","0.0905","0.0789","","","0.2156","0.2275","","","","","","1.091","","","","has coordinates","248767","2020-10-21","18:00:00",""
"7703662","17.399","0.007","12.202","0.005","19.503","0.01","90","","127.7","0.009","90","","3276","3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H47 Li N2 O4 -","- C37 H47 Li N2 O4 -","- C148 H188 Li4 N8 O16 -","4","1","","Devaine-Pressing, Katalin; Oldenburg, Fabio J.; Menzel, Jan P.; Springer, Maximilian; Dawe, Louise N.; Kozak, Christopher M.","Lithium, sodium, potassium and calcium amine-bis(phenolate) complexes in the ring-opening polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1531","1544","10.1039/c9dt04561a","","","0.71075","MoKα","","0.2006","0.1163","","","0.1988","0.2396","","","","","","1.082","","","","has coordinates","248767","2020-10-21","18:00:00",""
"7703663","15.9504","0.0012","7.0252","0.0004","12.0267","0.0008","90","","118.914","0.007","90","","1179.66","0.16","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Cd N6 O8 Pb2 -","- C6 H4 Cd N6 O8 Pb2 -","- C24 H16 Cd4 N24 O32 Pb8 -","4","0.5","","Meng, Xianghe; Kang, Kaijin; Liang, Fei; Tang, Jian; Lin, Zheshuai; Yin, Wenlong; Xia, Mingjun","""Old dog, new tricks"": the lone pair effect inducing divergent optical responses in lead cyanurates containing π-bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1370","1374","10.1039/c9dt04313f","","","0.71073","MoKα","","0.0197","0.0181","","","0.0448","0.0455","","","","","","1.062","","","","has coordinates","248768","2020-10-21","18:00:00",""
"7703664","16.6034","0.0011","6.7166","0.0003","12.4132","0.0006","90","","117.563","0.006","90","","1227.19","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 N6 O8 Pb3 -","- C6 H4 N6 O8 Pb3 -","- C24 H16 N24 O32 Pb12 -","4","0.5","","Meng, Xianghe; Kang, Kaijin; Liang, Fei; Tang, Jian; Lin, Zheshuai; Yin, Wenlong; Xia, Mingjun","""Old dog, new tricks"": the lone pair effect inducing divergent optical responses in lead cyanurates containing π-bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1370","1374","10.1039/c9dt04313f","","","0.71073","MoKα","","0.0203","0.0194","","","0.0448","0.0451","","","","","","1.111","","","","has coordinates","248768","2020-10-21","18:00:00",""
"7703665","18.197","0.0009","16.7678","0.0008","17.77","0.0009","90","","107.426","0.0014","90","","5173.2","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H64 N11.5 O22.5 Re2.5 -","- C36 H64 N11.5 O22.5 Re2.5 -","- C144 H256 N46 O90 Re10 -","4","1","","Thevenet, Alexiane; Marie, Cécile; Tamain, Christelle; Amendola, Valeria; Miljkovic, Ana; Guillaumont, Dominique; Boubals, Nathalie; Guilbaud, Philippe","Perrhenate and pertechnetate complexation by an azacryptand in nitric acid medium.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1446","1455","10.1039/c9dt04314d","","","0.71073","MoKα","","0.0462","0.0326","","","0.0756","0.0821","","","","","","0.961","","","","has coordinates","248769","2020-10-21","18:00:00",""
"7703666","15.2146","0.0006","22.3485","0.0008","26.8017","0.0012","90","","102.122","0.004","90","","8910","0.6","123","2","123","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C88 H80 B3 Co5 F12 N25 O4 -","- C88 H78 B3 Co5 F12 N25 O4 -","- C352 H312 B12 Co20 F48 N100 O16 -","4","1","","Akai, Takuya; Kondo, Mio; Lee, Sze Koon; Izu, Hitoshi; Enomoto, Takafumi; Okamura, Masaya; Saga, Yutaka; Masaoka, Shigeyuki","Effect of metal ion substitution on the catalytic activity of a pentanuclear metal complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1384","1387","10.1039/c9dt04684d","","x-ray","0.71073","MoKα","","0.1469","0.075","","","0.1828","0.228","","","","","","1.03","","","","has coordinates","248770","2020-10-21","18:00:00",""
"7703667","21.827","0.002","11.6814","0.001","22.747","0.002","90","","90","","90","","5799.8","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","smp_09","","","- C35 H32 Fe2 N3 O -","- C35 H31 Fe2 N3 O -","- C280 H248 Fe16 N24 O8 -","8","1","","Prabu, Selvam; David, Ezhumalai; Viswanathan, Thamodharan; Thirumoorthy, Krishnan; Panda, Tamas; Dragonetti, Claudia; Colombo, Alessia; Marinotto, Daniele; Righetto, Stefania; Roberto, Dominique; Palanisami, Nallasamy","NLO-active Y-shaped ferrocene conjugated imidazole chromophores as precursors for SHG polymeric films.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1854","1863","10.1039/c9dt03637g","","","0.71073","MoKα","","0.1634","0.055","","","0.133","0.1884","","","","","","0.863","","","","has coordinates","248771","2020-10-21","18:00:00",""
"7703668","15.2965","0.0005","8.4134","0.0002","13.8289","0.0004","90","","107.437","0.004","90","","1697.93","0.09","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 Co K N8 -","- C12 H20 Co K N8 -","- C48 H80 Co4 K4 N32 -","4","0.5","","Rok, Magdalena; Zarychta, Bartosz; Moskwa, Marcin; Dziuk, Błażej; Medycki, Wojciech; Bator, Grażyna","Structural phase transitions coupled with prominent dielectric anomalies and dielectric relaxation in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>2</sub>[KCo(CN)<sub>6</sub>] and mixed [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>2</sub>[KFe<sub>x</sub>Co<sub>1-x</sub>(CN)<sub>6</sub>] double perovskite hybrids.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1830","1838","10.1039/c9dt04703d","","","0.71073","MoKα","","0.0258","0.0233","","","0.063","0.0649","","","","","","1.036","","","","has coordinates,has disorder","248772","2020-10-21","18:00:00",""
"7703669","12.0813","0.0002","12.0813","0.0002","12.0813","0.0002","90","","90","","90","","1763.36","0.05","360","0.1","360","0.1","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C24 H40 Co2 K2 N16 -","- C24 H40.0032 Co2 K2 N16 -","- C48 H80.0064 Co4 K4 N32 -","2","0.0104167","","Rok, Magdalena; Zarychta, Bartosz; Moskwa, Marcin; Dziuk, Błażej; Medycki, Wojciech; Bator, Grażyna","Structural phase transitions coupled with prominent dielectric anomalies and dielectric relaxation in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>2</sub>[KCo(CN)<sub>6</sub>] and mixed [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>2</sub>[KFe<sub>x</sub>Co<sub>1-x</sub>(CN)<sub>6</sub>] double perovskite hybrids.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1830","1838","10.1039/c9dt04703d","","","0.71073","MoKα","","0.0382","0.0308","","","0.0973","0.1014","","","","","","1.156","","","","has coordinates","248772","2020-10-21","18:00:00",""
"7703670","11.958","0.003","15.817","0.004","16.28","0.005","82.222","0.006","69.979","0.006","78.914","0.006","2831","1.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H36 Bi3 I9 O8 S8 -","- C16 H36 Bi3 I9 O8 S8 -","- C32 H72 Bi6 I18 O16 S16 -","2","1","","Hao, Pengfei; Wang, Weipin; Shen, Junju; Fu, Yunlong","Non-transient thermo-/photochromism of iodobismuthate hybrids directed by solvated metal cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1847","1853","10.1039/c9dt04818a","","","0.71073","MoKα","","0.2368","0.1541","","","0.3401","0.3981","","","","","","1.036","","","","has coordinates","248773","2020-10-21","18:00:00",""
"7703671","12.0219","0.0014","15.8042","0.0019","16.282","0.002","82.124","0.003","69.973","0.003","78.89","0.003","2843.5","0.6","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H45 Bi2 I9 La O8 S8 -","- C16 H45 Bi2 I9 La O8 S8 -","- C32 H90 Bi4 I18 La2 O16 S16 -","2","1","","Hao, Pengfei; Wang, Weipin; Shen, Junju; Fu, Yunlong","Non-transient thermo-/photochromism of iodobismuthate hybrids directed by solvated metal cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1847","1853","10.1039/c9dt04818a","","","0.71073","MoKα","","0.1031","0.0635","","","0.1663","0.1928","","","","","","1.059","","","","has coordinates","248773","2020-10-21","18:00:00",""
"7703672","10.3933","0.0004","11.9336","0.0004","15.6945","0.0006","87.39","","85.67","","72.08","","1846.35","0.12","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H51 Al3 La N O -","- C33.5 H51 Al3 La N O -","- C67 H102 Al6 La2 N2 O2 -","2","1","","Diether, Dominic; Meermann-Zimmermann, Melanie; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-earth metal-promoted (double) C-H-bond activation of a lutidinyl-functionalized alkoxy ligand: formation of [ONC] pincer-type ligands and implications for isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","2004","2013","10.1039/c9dt04742e","","","0.71073","MoKα","","0.0255","0.0229","","","0.0589","0.0611","","","","","","1.075","","","","has coordinates,has disorder","248774","2020-10-21","18:00:00",""
"7703673","11.1015","0.0009","21.7863","0.0018","13.0879","0.001","90","","104.751","0.001","90","","3061.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H43 Al3 Lu N O -","- C29 H43 Al3 Lu N O -","- C116 H172 Al12 Lu4 N4 O4 -","4","1","","Diether, Dominic; Meermann-Zimmermann, Melanie; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-earth metal-promoted (double) C-H-bond activation of a lutidinyl-functionalized alkoxy ligand: formation of [ONC] pincer-type ligands and implications for isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","2004","2013","10.1039/c9dt04742e","","","0.71073","MoKα","","0.0488","0.0303","","","0.0545","0.0612","","","","","","1.019","","","","has coordinates","248774","2020-10-21","18:00:00",""
"7703674","10.6177","0.0003","11.4277","0.0004","16.3857","0.0004","93.045","0.002","99.235","0.001","112.817","0.001","1794.24","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H51 Al3 N Nd O -","- C33.5 H51 Al3 N Nd O -","- C67 H102 Al6 N2 Nd2 O2 -","2","1","","Diether, Dominic; Meermann-Zimmermann, Melanie; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-earth metal-promoted (double) C-H-bond activation of a lutidinyl-functionalized alkoxy ligand: formation of [ONC] pincer-type ligands and implications for isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","2004","2013","10.1039/c9dt04742e","","","0.71073","MoKα","","0.026","0.0233","","","0.058","0.0596","","","","","","1.034","","","","has coordinates","248774","2020-10-21","18:00:00",""
"7703675","10.6476","0.0004","13.3042","0.0006","22.2103","0.0009","90","","90","","90","","3146.3","0.2","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H43 Al3 Lu N O -","- C29 H43 Al3 Lu N O -","- C116 H172 Al12 Lu4 N4 O4 -","4","1","","Diether, Dominic; Meermann-Zimmermann, Melanie; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-earth metal-promoted (double) C-H-bond activation of a lutidinyl-functionalized alkoxy ligand: formation of [ONC] pincer-type ligands and implications for isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","2004","2013","10.1039/c9dt04742e","","","0.71073","MoKα","","0.0123","0.0121","","","0.0321","0.0322","","","","","","1.042","","","","has coordinates,has disorder","248774","2020-10-21","18:00:00",""
"7703676","17.8953","0.0013","10.0184","0.0008","20.9266","0.0015","90","","109.621","0.003","90","","3533.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H51 Al3 N O Y -","- C33.5 H51 Al3 N O Y -","- C134 H204 Al12 N4 O4 Y4 -","4","1","","Diether, Dominic; Meermann-Zimmermann, Melanie; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-earth metal-promoted (double) C-H-bond activation of a lutidinyl-functionalized alkoxy ligand: formation of [ONC] pincer-type ligands and implications for isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","2004","2013","10.1039/c9dt04742e","","","0.71073","MoKα","","0.0563","0.0446","","","0.097","0.1007","","","","","","1.123","","","","has coordinates,has disorder","248774","2020-10-21","18:00:00",""
"7703677","10.3672","0.0004","12.9566","0.0005","14.9981","0.0006","99.106","0.002","95.286","0.002","109.956","0.002","1846.44","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H55 Al3 N O Y -","- C35 H55 Al3 N O Y -","- C70 H110 Al6 N2 O2 Y2 -","2","1","","Diether, Dominic; Meermann-Zimmermann, Melanie; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-earth metal-promoted (double) C-H-bond activation of a lutidinyl-functionalized alkoxy ligand: formation of [ONC] pincer-type ligands and implications for isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","2004","2013","10.1039/c9dt04742e","","","0.71073","MoKα","","0.0333","0.0307","","","0.0798","0.0817","","","","","","1.028","","","","has coordinates,has disorder","248774","2020-10-21","18:00:00",""
"7703678","11.98","0.005","12.321","0.005","12.797","0.005","76.231","0.005","75.919","0.005","83.363","0.005","1776.2","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H72 Cl2 Cu3 N28 O26 -","- C62 H72 Cl2 Cu3 N28 O26 -","- C62 H72 Cl2 Cu3 N28 O26 -","1","0.5","","Wu, Xue-Song; Cheng, Dong-Ming; Wang, Xin-Long; Sun, Jing; Zang, Hong-Ying; Su, Zhong-Min","Syntheses of cucurbit[6]uril-based metal-organic rotaxane networks by the anion regulation strategy and their proton conduction properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1747","1751","10.1039/c9dt04172a","","","0.71069","MoKα","","0.067","0.0464","","","0.1303","0.1606","","","","","","1.098","","","","has coordinates","248775","2020-10-21","18:00:00",""
"7703679","12.758","0.005","14.636","0.005","14.677","0.005","80.719","0.005","68.722","0.005","84.291","0.005","2517.8","1.6","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H110 Cu7 N28 O55 -","- C70 H106 Cu7 N28 O55 -","- C70 H106 Cu7 N28 O55 -","1","0.5","","Wu, Xue-Song; Cheng, Dong-Ming; Wang, Xin-Long; Sun, Jing; Zang, Hong-Ying; Su, Zhong-Min","Syntheses of cucurbit[6]uril-based metal-organic rotaxane networks by the anion regulation strategy and their proton conduction properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1747","1751","10.1039/c9dt04172a","","","0.71069","MoKα","","0.089","0.0592","","","0.1566","0.1788","","","","","","1.054","","","","has coordinates,has disorder","248775","2020-10-21","18:00:00",""
"7703680","7.2787","0.0016","9.128","0.002","25.164","0.006","90","","90","","90","","1671.9","0.7","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H18 Co N2 O3 -","- C20 H18 Co N2 O3 -","- C80 H72 Co4 N8 O12 -","4","0.5","","Hu, Zhao-Bo; Feng, Xin; Li, Jing; Zhang, Yi-Quan; Yin, Lei; Wang, Zhenxing; Ouyang, Zhongwen; Kurmoo, Mohamedally; Song, You","Optimal diamagnetic dilution concentration for suppressing the dipole-dipole interaction in single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2159","2167","10.1039/c9dt04403e","","","0.71073","MoKα","","0.0629","0.0415","","","0.0937","0.1042","","","","","","0.985","","","","has coordinates","248776","2020-10-21","18:00:00",""
"7703681","7.225","0.003","9.06","0.004","25.026","0.01","90","","90","","90","","1638.2","1.2","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H18 Co0 N2 O3 Zn -","- C20 H18 N2 O3 Zn -","- C80 H72 N8 O12 Zn4 -","4","0.5","","Hu, Zhao-Bo; Feng, Xin; Li, Jing; Zhang, Yi-Quan; Yin, Lei; Wang, Zhenxing; Ouyang, Zhongwen; Kurmoo, Mohamedally; Song, You","Optimal diamagnetic dilution concentration for suppressing the dipole-dipole interaction in single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2159","2167","10.1039/c9dt04403e","","","0.71073","MoKα","","0.0668","0.0479","","","0.1266","0.1374","","","","","","1.062","","","","has coordinates","248776","2020-10-21","18:00:00",""
"7703682","7.2405","0.0012","9.0605","0.0013","25.074","0.004","90","","90","","90","","1644.9","0.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H18 N2 O3 Zn -","- C20 H18 N2 O3 Zn -","- C80 H72 N8 O12 Zn4 -","4","0.5","","Hu, Zhao-Bo; Feng, Xin; Li, Jing; Zhang, Yi-Quan; Yin, Lei; Wang, Zhenxing; Ouyang, Zhongwen; Kurmoo, Mohamedally; Song, You","Optimal diamagnetic dilution concentration for suppressing the dipole-dipole interaction in single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2159","2167","10.1039/c9dt04403e","","","0.71073","MoKα","","0.0742","0.0509","","","0.1108","0.1205","","","","","","1.086","","","","has coordinates","248776","2020-10-21","18:00:00",""
"7703683","12.36586","0.00011","26.05266","0.00018","11.08994","0.0001","90","","114.209","0.0011","90","","3258.57","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H59 B2 N P2 -","- C29 H59 B2 N P2 -","- C116 H236 B8 N4 P8 -","4","1","","Hood, Thomas M.; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and rhodium complexes of macrocyclic PNP and PONOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2077","2086","10.1039/c9dt04474d","","x-ray","1.54184","CuKα","","0.0515","0.0471","","","0.126","0.1304","","","","","","1.029","","","","has coordinates","248777","2020-10-21","18:00:00",""
"7703684","25.6216","0.0004","7.714","0.0001","35.6578","0.0006","90","","102.897","0.002","90","","6869.8","0.19","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C30 H62 B2 N O2 P2 -","- C30 H62 B2 N O2 P2 -","- C240 H496 B16 N8 O16 P16 -","8","1","","Hood, Thomas M.; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and rhodium complexes of macrocyclic PNP and PONOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2077","2086","10.1039/c9dt04474d","","x-ray","1.54184","CuKα","","0.0586","0.0448","","","0.1081","0.1119","","","","","","0.917","","","","has coordinates,has disorder","248777","2020-10-21","18:00:00",""
"7703685","13.44737","0.0001","13.57276","0.0001","38.9533","0.0003","90","","94.8285","0.0007","90","","7084.44","0.09","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C71 H69 B F24 N O2 P2 Rh -","- C71 H69 B F24 N O2 P2 Rh -","- C284 H276 B4 F96 N4 O8 P8 Rh4 -","4","1","","Hood, Thomas M.; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and rhodium complexes of macrocyclic PNP and PONOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2077","2086","10.1039/c9dt04474d","","x-ray","1.54184","CuKα","","0.0792","0.0768","","","0.1977","0.1994","","","","","","1.11","","","","has coordinates,has disorder","248777","2020-10-21","18:00:00",""
"7703686","26.48866","0.00018","18.27115","0.00017","27.8172","0.0002","90","","93.5082","0.0006","90","","13437.7","0.18","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C60.5 H62 B Cl F24 N O3 P2 Rh -","- C60.5 H62 B Cl F24 N O3 P2 Rh -","- C484 H496 B8 Cl8 F192 N8 O24 P16 Rh8 -","8","2","","Hood, Thomas M.; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and rhodium complexes of macrocyclic PNP and PONOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2077","2086","10.1039/c9dt04474d","","x-ray","1.54184","CuKα","","0.0862","0.0719","","","0.1919","0.2087","","","","","","1.028","","","","has coordinates,has disorder","248777","2020-10-21","18:00:00",""
"7703687","13.6274","0.00016","13.36471","0.00014","39.2179","0.0005","90","","95.3071","0.001","90","","7111.99","0.14","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C73 H73 B F24 N P2 Rh -","- C73 H73 B F24 N P2 Rh -","- C292 H292 B4 F96 N4 P8 Rh4 -","4","1","","Hood, Thomas M.; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and rhodium complexes of macrocyclic PNP and PONOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2077","2086","10.1039/c9dt04474d","","x-ray","0.71073","MoKα","","0.0421","0.036","","","0.0864","0.0901","","","","","","1.035","","","","has coordinates,has disorder","248777","2020-10-21","18:00:00",""
"7703688","8.9454","0.0009","9.7562","0.0009","10.7268","0.001","89.496","0.004","87.482","0.005","71.661","0.004","887.74","0.15","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H11 Cl3 Co N4 -","- C18 H11 Cl3 Co N4 -","- C36 H22 Cl6 Co2 N8 -","2","1","","Sinha, Suman; Das, Siuli; Mondal, Rakesh; Mandal, Sutanuva; Paul, Nanda D.","Cobalt complexes of redox noninnocent azo-aromatic pincers. Isolation, characterization, and application as catalysts for the synthesis of quinazolin-4(3H)-ones.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8448","8459","10.1039/d0dt00394h","","","0.71073","MoKα","","0.0512","0.0399","","","0.1083","0.1186","","","","","","1.043","","","","has coordinates","253898","2020-10-21","18:00:00",""
"7703689","8.7","0.3","12.8","0.3","15.5","0.5","75.4","0.7","89.2","1.1","89.9","0.5","1670","9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 Cl4 Co2 N8 -","- C36 H24 Cl4 Co2 N8 -","- C72 H48 Cl8 Co4 N16 -","2","1","","Sinha, Suman; Das, Siuli; Mondal, Rakesh; Mandal, Sutanuva; Paul, Nanda D.","Cobalt complexes of redox noninnocent azo-aromatic pincers. Isolation, characterization, and application as catalysts for the synthesis of quinazolin-4(3H)-ones.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8448","8459","10.1039/d0dt00394h","","","0.71073","MoKα","","0.1787","0.0613","","","0.0923","0.1084","","","","","","1.139","","","","has coordinates","253898","2020-10-21","18:00:00",""
"7703690","8.4667","0.0007","10.9982","0.0009","12.1179","0.001","101.699","0.002","98.267","0.002","90.736","0.002","1092.45","0.16","127","2","127","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Cl2 Co N6 -","- C24 H16 Cl2 Co N6 -","- C48 H32 Cl4 Co2 N12 -","2","1","","Sinha, Suman; Das, Siuli; Mondal, Rakesh; Mandal, Sutanuva; Paul, Nanda D.","Cobalt complexes of redox noninnocent azo-aromatic pincers. Isolation, characterization, and application as catalysts for the synthesis of quinazolin-4(3H)-ones.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8448","8459","10.1039/d0dt00394h","","","0.71073","MoKα","","0.0437","0.0324","","","0.0799","0.0848","","","","","","1.079","","","","has coordinates,has disorder","253898","2020-10-21","18:00:00",""
"7703691","7.906","0.0008","11.3704","0.0011","13.0336","0.0013","67.016","0.002","88.956","0.002","74.969","0.002","1037.18","0.18","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H50 Co2 N2 O26 -","- C36 H50 Co2 N2 O26 -","- C36 H50 Co2 N2 O26 -","1","0.5","","Liu, Jinjian; Lu, Yiwei; Lu, Wenbo","Metal-dependent photosensitivity of three isostructural 1D CPs based on the 1,1'-bis(3-carboxylatobenzyl)-4,4'-bipyridinium moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4044","4049","10.1039/d0dt00157k","","","0.71073","MoKα","","0.0351","0.032","","","0.0882","0.0904","","","","","","1.058","","","","has coordinates","250292","2020-10-21","18:00:00",""
"7703692","7.9165","0.0007","11.3395","0.001","12.9997","0.0011","66.934","0.002","89.039","0.002","75.182","0.002","1033.39","0.16","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H50 N2 Ni2 O26 -","- C36 H50 N2 Ni2 O26 -","- C36 H50 N2 Ni2 O26 -","1","0.5","","Liu, Jinjian; Lu, Yiwei; Lu, Wenbo","Metal-dependent photosensitivity of three isostructural 1D CPs based on the 1,1'-bis(3-carboxylatobenzyl)-4,4'-bipyridinium moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4044","4049","10.1039/d0dt00157k","","","0.71073","MoKα","","0.039","0.0367","","","0.1052","0.107","","","","","","1.074","","","","has coordinates","250292","2020-10-21","18:00:00",""
"7703693","7.9095","0.0011","11.3558","0.0015","13.058","0.0017","67.002","0.003","89.013","0.003","75.004","0.003","1038.2","0.2","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H50 N2 O26 Zn2 -","- C36 H50 N2 O26 Zn2 -","- C36 H50 N2 O26 Zn2 -","1","0.5","","Liu, Jinjian; Lu, Yiwei; Lu, Wenbo","Metal-dependent photosensitivity of three isostructural 1D CPs based on the 1,1'-bis(3-carboxylatobenzyl)-4,4'-bipyridinium moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4044","4049","10.1039/d0dt00157k","","","0.71073","MoKα","","0.0384","0.0353","","","0.1007","0.1036","","","","","","1.041","","","","has coordinates","250292","2020-10-21","18:00:00",""
"7703694","9.7033","0.0004","10.0984","0.0004","11.5708","0.0004","99.098","0.001","107.096","0.001","98.352","0.001","1047.75","0.07","173","2","173","","","","","","","","","6","P -1","-P 1","2","","JNB017","","- C24 H8 B F10 N S -","- C24 H8 B F10 N S -","- C48 H16 B2 F20 N2 S2 -","2","1","","Bentley, Jordan N.; Pradhan, Ekadashi; Zeng, Tao; Caputo, Christopher B.","Bis(pentafluorophenyl)phenothiazylborane - an intramolecular frustrated Lewis pair catalyst for stannane dehydrocoupling.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16054","16058","10.1039/d0dt00506a","","","0.71073","MoKα","","0.1575","0.097","","","0.201","0.2497","","","","","","1.068","","","","has coordinates","260784","2021-01-07","06:30:07",""
"7703695","12.1297","0.0006","12.7797","0.0005","24.5958","0.0011","100.177","0.003","90.169","0.004","111.086","0.003","3492.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H39 B O3 P2 -","- C39 H39 B O3 P2 -","- C156 H156 B4 O12 P8 -","4","2","","Murphy, Maia C.; Trofimova, Alina; LaFortune, James H. W.; Vogels, Christopher M.; Geier, Stephen J.; Binder, Justin F.; Macdonald, Charles L. B.; Stephan, Douglas W.; Westcott, Stephen A.","The phosphinoboration of acyl chlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5092","5099","10.1039/d0dt00579g","","","0.71073","MoKα","","0.1041","0.0516","","","0.1239","0.163","","","","","","1.06","","","","has coordinates","251619","2020-10-21","18:00:00",""
"7703696","10.3384","0.0005","17.0645","0.0008","11.1586","0.0006","90","","91.508","0.002","90","","1967.91","0.17","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H44 B O3 P2 Rh -","- C46 H44 B O3 P2 Rh -","- C92 H88 B2 O6 P4 Rh2 -","2","1","","Murphy, Maia C.; Trofimova, Alina; LaFortune, James H. W.; Vogels, Christopher M.; Geier, Stephen J.; Binder, Justin F.; Macdonald, Charles L. B.; Stephan, Douglas W.; Westcott, Stephen A.","The phosphinoboration of acyl chlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5092","5099","10.1039/d0dt00579g","","","0.71073","MoKα","","0.0287","0.0245","","","0.0481","0.0498","","","","","","1.093","","","","has coordinates","251619","2020-10-21","18:00:00",""
"7703697","10.299","0.004","10.93","0.003","14.818","0.005","76.664","0.012","84.069","0.012","68.725","0.012","1512.1","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H29 B O3 P2 -","- C37 H29 B O3 P2 -","- C74 H58 B2 O6 P4 -","2","1","","Murphy, Maia C.; Trofimova, Alina; LaFortune, James H. W.; Vogels, Christopher M.; Geier, Stephen J.; Binder, Justin F.; Macdonald, Charles L. B.; Stephan, Douglas W.; Westcott, Stephen A.","The phosphinoboration of acyl chlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5092","5099","10.1039/d0dt00579g","","","0.71073","MoKα","","0.0912","0.0469","","","0.0969","0.1221","","","","","","1.01","","","","has coordinates","251619","2020-10-21","18:00:00",""
"7703698","8.317","0.003","11.854","0.004","11.878","0.003","99.213","0.007","105.491","0.008","107.793","0.007","1036.6","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 O P -","- C25 H27 O P -","- C50 H54 O2 P2 -","2","1","","Murphy, Maia C.; Trofimova, Alina; LaFortune, James H. W.; Vogels, Christopher M.; Geier, Stephen J.; Binder, Justin F.; Macdonald, Charles L. B.; Stephan, Douglas W.; Westcott, Stephen A.","The phosphinoboration of acyl chlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5092","5099","10.1039/d0dt00579g","","","0.71073","MoKα","","0.0939","0.0491","","","0.0931","0.1077","","","","","","1.013","","","","has coordinates","251619","2020-10-21","18:00:00",""
"7703699","11.0144","0.0016","11.8183","0.0017","13.2158","0.0019","90","","90","","90","","1720.3","0.4","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 Cl2 Ir N2 O2 -","- C14 H23 Cl2 Ir N2 O2 -","- C56 H92 Cl8 Ir4 N8 O8 -","4","1","","Han, Seong Ho; Agbenyeke, Raphael Edem; Lee, Ga Yeon; Park, Bo Keun; Kim, Chang Gyoun; Lee, Young Kuk; Son, Seung Uk; Chung, Taek-Mo","Synthesis and characterization of novel zinc precursors for ZnO thin film deposition by atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4306","4314","10.1039/c9dt04644e","","","0.71075","MoKα","","0.0353","0.0348","","","0.0865","0.0868","","","","","","1.074","","","","has coordinates","251642","2020-10-21","18:00:00",""
"7703700","28.918","0.008","28.918","0.008","12.364","0.003","90","","90","","120","","8954","4","93","","93","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C14 H21 Cl Ir K N2 O2 -","- C14 H21 Cl Ir K N2 O2 -","- C252 H378 Cl18 Ir18 K18 N36 O36 -","18","1","","Han, Seong Ho; Agbenyeke, Raphael Edem; Lee, Ga Yeon; Park, Bo Keun; Kim, Chang Gyoun; Lee, Young Kuk; Son, Seung Uk; Chung, Taek-Mo","Synthesis and characterization of novel zinc precursors for ZnO thin film deposition by atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4306","4314","10.1039/c9dt04644e","","","0.71075","MoKα","","0.054","0.0434","","","0.092","0.0981","","","","","","1.017","","","","has coordinates","251642","2020-10-21","18:00:00",""
"7703701","10.914","0.003","11.526","0.002","13.116","0.003","90","","112.208","0.003","90","","1527.5","0.6","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl Ir N2 O2 -","- C14 H22 Cl Ir N2 O2 -","- C56 H88 Cl4 Ir4 N8 O8 -","4","1","","Han, Seong Ho; Agbenyeke, Raphael Edem; Lee, Ga Yeon; Park, Bo Keun; Kim, Chang Gyoun; Lee, Young Kuk; Son, Seung Uk; Chung, Taek-Mo","Synthesis and characterization of novel zinc precursors for ZnO thin film deposition by atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4306","4314","10.1039/c9dt04644e","","","0.71075","MoKα","","0.0464","0.0454","","","0.1088","0.1098","","","","","","1.095","","","","has coordinates","251642","2020-10-21","18:00:00",""
"7703702","8.4368","0.0007","9.2545","0.0008","16.2121","0.0014","90","","97.626","0.004","90","","1254.62","0.19","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H23 N O Zn -","- C10 H23 N O Zn -","- C40 H92 N4 O4 Zn4 -","4","1","","Han, Seong Ho; Agbenyeke, Raphael Edem; Lee, Ga Yeon; Park, Bo Keun; Kim, Chang Gyoun; Lee, Young Kuk; Son, Seung Uk; Chung, Taek-Mo","Synthesis and characterization of novel zinc precursors for ZnO thin film deposition by atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4306","4314","10.1039/c9dt04644e","","","0.71073","MoKα","","0.0492","0.0441","","","0.1291","0.136","","","","","","1.056","","","","has coordinates","251642","2020-10-21","18:00:00",""
"7703703","8.7333","0.0005","9.0204","0.0006","9.2754","0.0006","74.598","0.003","74.548","0.003","62.454","0.003","615.72","0.07","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C10 H23 N O Zn -","- C10 H23 N O Zn -","- C20 H46 N2 O2 Zn2 -","2","1","","Han, Seong Ho; Agbenyeke, Raphael Edem; Lee, Ga Yeon; Park, Bo Keun; Kim, Chang Gyoun; Lee, Young Kuk; Son, Seung Uk; Chung, Taek-Mo","Synthesis and characterization of novel zinc precursors for ZnO thin film deposition by atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4306","4314","10.1039/c9dt04644e","","","0.71073","MoKα","","0.0462","0.0435","","","0.1215","0.1234","","","","","","1.077","","","","has coordinates","251642","2020-10-21","18:00:00",""
"7703704","8.9302","0.0003","7.9409","0.0002","16.0244","0.0005","90","","94.905","0.002","90","","1132.19","0.06","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H21 N O Zn -","- C9 H21 N O Zn -","- C36 H84 N4 O4 Zn4 -","4","1","","Han, Seong Ho; Agbenyeke, Raphael Edem; Lee, Ga Yeon; Park, Bo Keun; Kim, Chang Gyoun; Lee, Young Kuk; Son, Seung Uk; Chung, Taek-Mo","Synthesis and characterization of novel zinc precursors for ZnO thin film deposition by atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4306","4314","10.1039/c9dt04644e","","","0.71073","MoKα","","0.0202","0.0181","","","0.0448","0.0457","","","","","","1.048","","","","has coordinates","251642","2020-10-21","18:00:00",""
"7703705","9.952","0.005","10.298","0.005","12.228","0.006","72.78","0.02","89.89","0.03","63.71","0.02","1060.9","0.9","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H38 N2 O2 Zn2 -","- C16 H38 N2 O2 Zn2 -","- C32 H76 N4 O4 Zn4 -","2","1","","Han, Seong Ho; Agbenyeke, Raphael Edem; Lee, Ga Yeon; Park, Bo Keun; Kim, Chang Gyoun; Lee, Young Kuk; Son, Seung Uk; Chung, Taek-Mo","Synthesis and characterization of novel zinc precursors for ZnO thin film deposition by atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4306","4314","10.1039/c9dt04644e","","","0.71073","MoKα","","0.0668","0.043","","","0.0956","0.1049","","","","","","0.943","","","","has coordinates","251642","2020-10-21","18:00:00",""
"7703706","13.3959","0.0008","10.9681","0.0006","19.05","0.002","90","","100.283","0.007","90","","2754","0.4","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 B Ge N4 -","- C27 H41 B Ge N4 -","- C108 H164 B4 Ge4 N16 -","4","1","","Böserle, Jiří; Jambor, Roman; RůŽička, Aleš; Erben, Milan; Dostál, Libor","Reactivity of boraguanidinato germylenes toward carbonyl compounds and isocyanides: C-O, C-F and C-N bond activation.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4869","4877","10.1039/c9dt04839a","","","0.71073","MoKα","","0.0456","0.0331","","","0.0735","0.0831","","","","","","1.111","","","","has coordinates","251662","2020-10-21","18:00:00",""
"7703707","14.103","0.0017","22.561","0.002","18.11","0.0018","90","","112.285","0.006","90","","5331.8","1","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H79 B2 Ge2 N7 -","- C55 H79 B2 Ge2 N7 -","- C220 H316 B8 Ge8 N28 -","4","1","","Böserle, Jiří; Jambor, Roman; RůŽička, Aleš; Erben, Milan; Dostál, Libor","Reactivity of boraguanidinato germylenes toward carbonyl compounds and isocyanides: C-O, C-F and C-N bond activation.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4869","4877","10.1039/c9dt04839a","","","0.71073","MoKα","","0.1291","0.0678","","","0.1214","0.1517","","","","","","1.093","","","","has coordinates","251662","2020-10-21","18:00:00",""
"7703708","16.2361","0.0011","14.0029","0.0013","23.556","0.003","90","","106.592","0.007","90","","5132.5","0.9","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H74 B2 Ge2 N7 -","- C51 H74 B2 Ge2 N7 -","- C204 H296 B8 Ge8 N28 -","4","1","","Böserle, Jiří; Jambor, Roman; RůŽička, Aleš; Erben, Milan; Dostál, Libor","Reactivity of boraguanidinato germylenes toward carbonyl compounds and isocyanides: C-O, C-F and C-N bond activation.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4869","4877","10.1039/c9dt04839a","","","0.71073","MoKα","","0.0827","0.0455","","","0.0855","0.1034","","","","","","1.105","","","","has coordinates","251662","2020-10-21","18:00:00",""
"7703709","16.9688","0.0011","11.069","0.0006","15.7622","0.0013","90","","102.325","0.006","90","","2892.3","0.3","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H42 B Ge N5 -","- C29 H42 B Ge N5 -","- C116 H168 B4 Ge4 N20 -","4","1","","Böserle, Jiří; Jambor, Roman; RůŽička, Aleš; Erben, Milan; Dostál, Libor","Reactivity of boraguanidinato germylenes toward carbonyl compounds and isocyanides: C-O, C-F and C-N bond activation.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4869","4877","10.1039/c9dt04839a","","","0.71073","MoKα","","0.0523","0.0338","","","0.0653","0.074","","","","","","1.115","","","","has coordinates","251662","2020-10-21","18:00:00",""
"7703710","13.2217","0.001","13.5451","0.0011","20.1024","0.0015","78.791","0.002","74.532","0.002","66.824","0.002","3173.4","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H82 B2 F5 Ge2 N6 O -","- C67 H82 B2 F5 Ge2 N6 O -","- C134 H164 B4 F10 Ge4 N12 O2 -","2","1","","Böserle, Jiří; Jambor, Roman; RůŽička, Aleš; Erben, Milan; Dostál, Libor","Reactivity of boraguanidinato germylenes toward carbonyl compounds and isocyanides: C-O, C-F and C-N bond activation.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4869","4877","10.1039/c9dt04839a","","","0.71073","MoKα","","0.0512","0.0424","","","0.0982","0.1036","","","","","","1.028","","","","has coordinates,has disorder","251662","2020-10-21","18:00:00",""
"7703711","17.935","0.004","13.777","0.003","22.017","0.004","90","","95.854","0.008","90","","5412","2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H72 B2 F3 Ge2 N6 O -","- C52 H69 B2 F3 Ge2 N6 O -","- C208 H276 B8 F12 Ge8 N24 O4 -","4","1","","Böserle, Jiří; Jambor, Roman; RůŽička, Aleš; Erben, Milan; Dostál, Libor","Reactivity of boraguanidinato germylenes toward carbonyl compounds and isocyanides: C-O, C-F and C-N bond activation.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4869","4877","10.1039/c9dt04839a","","","0.71073","MoKα","","0.1428","0.0837","","","0.2252","0.2863","","","","","","1.061","","","","has coordinates","251662","2020-10-21","18:00:00",""
"7703712","10.039","0.002","21.238","0.005","21.261","0.004","90","","101.419","0.006","90","","4443.3","1.6","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 Au Br N3 O2 -","- C21 H25 Au Br N3 O2 -","- C168 H200 Au8 Br8 N24 O16 -","8","2","","Gallati, Caroline M.; Goetzfried, Sina K.; Ausserer, Marjana; Sagasser, Jessica; Plangger, Matthias; Wurst, Klaus; Hermann, Martin; Baecker, Daniel; Kircher, Brigitte; Gust, Ronald","Synthesis, characterization and biological activity of bromido[3-ethyl-4-aryl-5-(2-methoxypyridin-5-yl)-1-propyl-1,3-dihydro-2H-imidazol-2-ylidene]gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5471","5481","10.1039/c9dt04824c","","","0.71073","MoKα","","0.0434","0.0328","","","0.059","0.0613","","","","","","1.118","","","","has coordinates,has disorder","252759","2020-10-21","18:00:00",""
"7703713","11.338","0.0003","12.5181","0.0003","12.8599","0.0003","70.595","0.002","70.544","0.002","82.812","0.002","1623.01","0.07","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 N8 O2 Pd S4 -","- C26 H36 N8 O2 Pd S4 -","- C52 H72 N16 O4 Pd2 S8 -","2","1","","Papadakis, Michael; Barrozo, Alexandre; Straistari, Tatiana; Queyriaux, Nicolas; Putri, Anisa; Fize, Jennifer; Giorgi, Michel; Réglier, Marius; Massin, Julien; Hardré, Renaud; Orio, Maylis","Ligand-based electronic effects on the electrocatalytic hydrogen production by thiosemicarbazone nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5064","5073","10.1039/c9dt04775a","","x-ray","1.54184","CuKα","","0.0423","0.0405","","","0.1099","0.1123","","","","","","1.023","","","","has coordinates","251621","2020-10-21","18:00:00",""
"7703714","7.6311","0.0009","9.9671","0.0011","16.9752","0.0017","90","","90","","90","","1291.1","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H2 N12 O6 -","- C8 H2 N12 O6 -","- C32 H8 N48 O24 -","4","0.5","","Ma, Jinchao; Yang, Hongwei; Tang, Jie; Zhang, Guojie; Yi, Zhenxin; Zhu, Shunguan; Cheng, Guangbin","A novel energetic framework combining the advantages of furazan and triazole: a design for high-performance insensitive explosives.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4675","4679","10.1039/d0dt00498g","","","0.71073","MoKα","","0.0846","0.0474","","","0.0984","0.1148","","","","","","1.025","","","","has coordinates,has disorder","251652","2020-10-21","18:00:00",""
"7703715","5.2901","0.0003","18.3313","0.0011","33.371","0.002","90","","92.366","0.002","90","","3233.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13.33 H19.64 N12 O5.49 S2.67 -","- C13.3333 H19.6373 N12 O5.48533 S2.66667 -","- C80 H117.824 N72 O32.912 S16 -","6","1.5","","Ma, Jinchao; Yang, Hongwei; Tang, Jie; Zhang, Guojie; Yi, Zhenxin; Zhu, Shunguan; Cheng, Guangbin","A novel energetic framework combining the advantages of furazan and triazole: a design for high-performance insensitive explosives.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4675","4679","10.1039/d0dt00498g","","","0.71073","MoKα","","0.115","0.067","","","0.1259","0.1421","","","","","","1.052","","","","has coordinates,has disorder","251652","2020-10-21","18:00:00",""
"7703716","7.20011","0.00012","7.20961","0.00014","27.7581","0.0007","91.5713","0.0019","93.4633","0.0018","108.362","0.0016","1363.42","0.05","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 N6 O6 Re S -","- C28 H27 N6 O6 Re S -","- C56 H54 N12 O12 Re2 S2 -","2","1","","Wiratpruk, Nuchareenat; Noor, Asif; McLean, Catriona A.; Donnelly, Paul S.; Barnard, Peter J.","Charge neutral rhenium tricarbonyl complexes of tridentate N-heterocyclic carbene ligands that bind to amyloid plaques of Alzheimer's disease.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4559","4569","10.1039/c9dt04687a","","","1.54184","CuKα","","0.046","0.0452","","","0.1233","0.1246","","","","","","1.04","","","","has coordinates","251645","2020-10-21","18:00:00",""
"7703717","15.6976","0.0011","11.3209","0.0005","19.2779","0.001","90","","109.671","0.007","90","","3226","0.3","136","5","136","5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cl2 N5 O6 Re -","- C30 H32 Cl2 N5 O6 Re -","- C120 H128 Cl8 N20 O24 Re4 -","4","1","","Wiratpruk, Nuchareenat; Noor, Asif; McLean, Catriona A.; Donnelly, Paul S.; Barnard, Peter J.","Charge neutral rhenium tricarbonyl complexes of tridentate N-heterocyclic carbene ligands that bind to amyloid plaques of Alzheimer's disease.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4559","4569","10.1039/c9dt04687a","","","1.54184","CuKα","","0.063","0.0506","","","0.1275","0.1394","","","","","","1.049","","","","has coordinates","251645","2020-10-21","18:00:00",""
"7703718","18.2568","0.0017","14.37","0.0013","26.52","0.002","90","","90","","90","","6957.5","1","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C88 H76 B Dy N10 -","- C78 H66 B Dy N8 -","- C312 H264 B4 Dy4 N32 -","4","0.5","","Long, Jérôme; Selikhov, Alexander N.; Mamontova, Ekaterina; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Single-molecule magnet behavior in luminescent carbazolyl Dy(iii) octahedral complexes with a quasi linear N<sup>-</sup>-Dy-N<sup>-</sup> angle.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4039","4043","10.1039/d0dt00072h","","","0.71073","MoKα","","0.0545","0.0439","","","0.0853","0.0904","","","","","","1.008","","","","has coordinates,has disorder","250294","2020-10-21","18:00:00",""
"7703719","43.568","0.006","43.568","0.006","25.538","0.004","90","","90","","120","","41981","10","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H84 B Dy N2 O6 -","- C64 H68 B Dy N2 O4 -","- C1152 H1224 B18 Dy18 N36 O72 -","18","1","","Long, Jérôme; Selikhov, Alexander N.; Mamontova, Ekaterina; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Single-molecule magnet behavior in luminescent carbazolyl Dy(iii) octahedral complexes with a quasi linear N<sup>-</sup>-Dy-N<sup>-</sup> angle.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4039","4043","10.1039/d0dt00072h","","","0.71073","MoKα","","0.1156","0.0495","","","0.0981","0.1155","","","","","","1.182","","","","has coordinates,has disorder","250294","2020-10-21","18:00:00",""
"7703720","19.6406","0.0006","19.6406","0.0006","28.4472","0.0011","90","","90","","120","","9503.4","0.6","100","2","100","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C96 H103 Cl6 Gd Mn6 N6 Na2 O25 -","- C96 H93 Cl6 Gd Mn6 N6 Na2 O25 -","- C288 H279 Cl18 Gd3 Mn18 N18 Na6 O75 -","3","0.333333","","Mayans, Júlia; Font-Bardia, Mercè; Escuer, Albert","Na<sub>2</sub>MnLn<sup>III</sup> clusters with a non-equivalent core: chiral vs. meso isomerism.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4216","4219","10.1039/d0dt00540a","","","0.71073","MoKα","","0.0382","0.0329","","","0.0904","0.0924","","","","","","1.011","","","","has coordinates","251641","2020-10-21","18:00:00",""
"7703721","19.424","0.0008","19.424","0.0008","28.5924","0.001","90","","90","","120","","9342.4","0.6","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C99 H110 Cl6 Mn6 N6 Na2 O27 Tb -","- C99 H93 Cl6 Mn6 N6 Na2 O26.9998 Tb -","- C297 H279 Cl18 Mn18 N18 Na6 O80.9994 Tb3 -","3","0.166667","","Mayans, Júlia; Font-Bardia, Mercè; Escuer, Albert","Na<sub>2</sub>MnLn<sup>III</sup> clusters with a non-equivalent core: chiral vs. meso isomerism.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4216","4219","10.1039/d0dt00540a","","","0.71073","MoKα","","0.0673","0.0465","","","0.1229","0.1269","","","","","","0.946","","","","has coordinates","251641","2020-10-21","18:00:00",""
"7703722","19.5854","0.001","19.5854","0.001","28.5183","0.0018","90","","90","","120","","9473.7","0.9","100","2","100","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C96 H104 Cl6 Mn6 N6 Na2 O27 Tb -","- C96 H90 Cl6 Mn6 N6 Na2 O27 Tb -","- C288 H270 Cl18 Mn18 N18 Na6 O81 Tb3 -","3","0.333333","","Mayans, Júlia; Font-Bardia, Mercè; Escuer, Albert","Na<sub>2</sub>MnLn<sup>III</sup> clusters with a non-equivalent core: chiral vs. meso isomerism.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4216","4219","10.1039/d0dt00540a","","","0.71073","MoKα","","0.0646","0.0625","","","0.1844","0.1883","","","","","","1.039","","","","has coordinates","251641","2020-10-21","18:00:00",""
"7703723","19.9312","0.0003","19.9312","0.0003","28.8052","0.0008","90","","90","","120","","9909.9","0.3","100","2","100","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C96 H99 Br7 Mn6 N6 Na2 O23 Tb -","- C96 H93 Br7 Mn6 N6 Na2 O23 Tb -","- C288 H279 Br21 Mn18 N18 Na6 O69 Tb3 -","3","0.333333","","Mayans, Júlia; Font-Bardia, Mercè; Escuer, Albert","Na<sub>2</sub>MnLn<sup>III</sup> clusters with a non-equivalent core: chiral vs. meso isomerism.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4216","4219","10.1039/d0dt00540a","","","0.71073","MoKα","","0.0428","0.0363","","","0.0869","0.0895","","","","","","1.008","","","","has coordinates","251641","2020-10-21","18:00:00",""
"7703724","19.4486","0.0006","19.4486","0.0006","28.7046","0.0009","90","","90","","120","","9402.8","0.5","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C100.5 H110 Cl6 Gd Mn6 N6 Na2 O25.5 -","- C100.5 H108 Cl6 Gd Mn6 N6 Na2 O25.5 -","- C301.5 H324 Cl18 Gd3 Mn18 N18 Na6 O76.5 -","3","0.166667","","Mayans, Júlia; Font-Bardia, Mercè; Escuer, Albert","Na<sub>2</sub>MnLn<sup>III</sup> clusters with a non-equivalent core: chiral vs. meso isomerism.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4216","4219","10.1039/d0dt00540a","","","0.71073","MoKα","","0.1052","0.0692","","","0.2011","0.2255","","","","","","1.048","","","","has coordinates","251641","2020-10-21","18:00:00",""
"7703725","19.5945","0.0005","19.5945","0.0005","28.3967","0.0007","90","","90","","120","","9442.1","0.4","100","2","100","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C99 H115 Cl6 Mn6 N6 Na2 O29.5 Tb -","- C99 H90 Cl6 Mn6 N6 Na2 O29.4999 Tb -","- C297 H270 Cl18 Mn18 N18 Na6 O88.4997 Tb3 -","3","0.333333","","Mayans, Júlia; Font-Bardia, Mercè; Escuer, Albert","Na<sub>2</sub>MnLn<sup>III</sup> clusters with a non-equivalent core: chiral vs. meso isomerism.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4216","4219","10.1039/d0dt00540a","","","0.71073","MoKα","","0.0548","0.0477","","","0.1355","0.1394","","","","","","1.112","","","","has coordinates","251641","2020-10-21","18:00:00",""
"7703726","36.329","0.003","5.491","0.0004","17.2779","0.0014","90","","116.024","0.002","90","","3097.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cl7 N10 Sb -","- C24 H22 Cl7 N10 Sb -","- C96 H88 Cl28 N40 Sb4 -","4","0.5","","Shen, Jun-Ju; Kang, Xiao-Li; Ren, Qiao-Zhen; Li, Guo-Ping; Gao, Ya-Na; Hao, Peng-Fei; Fu, Yun-Long","Effect of positional isomers on the photochromic behaviors of bipyridyltriazolium chloroantimonate hybrids.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4470","4475","10.1039/d0dt00092b","","","0.71073","MoKα","","0.0326","0.032","","","0.0912","0.0917","","","","","","1.122","","","","has coordinates","251633","2020-10-21","18:00:00",""
"7703727","36.287","0.005","5.4885","0.0007","17.28","0.002","90","","115.978","0.003","90","","3093.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cl7 N10 Sb -","- C24 H22 Cl7 N10 Sb -","- C96 H88 Cl28 N40 Sb4 -","4","0.5","","Shen, Jun-Ju; Kang, Xiao-Li; Ren, Qiao-Zhen; Li, Guo-Ping; Gao, Ya-Na; Hao, Peng-Fei; Fu, Yun-Long","Effect of positional isomers on the photochromic behaviors of bipyridyltriazolium chloroantimonate hybrids.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4470","4475","10.1039/d0dt00092b","","","0.71073","MoKα","","0.0256","0.0246","","","0.0614","0.0621","","","","","","1.075","","","","has coordinates","251633","2020-10-21","18:00:00",""
"7703728","19.7255","0.0004","19.7255","0.0004","31.1693","0.0006","90","","90","","120","","10503","0.4","101.5","0.6","101.5","0.6","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","Compound 1","","- C62 H114 Cl4 In10 N16 Se16 -","- Cl4 In10 Se16 -","- Cl16 In40 Se64 -","4","0.166667","","Wang, Yanqi; Hu, Qianqian; Jin, Jiance; Li, Jilong; Li, Jianrong; Huang, Xiaoying","[Bmmim]<sub>6</sub>[In<sub>10</sub>Se<sub>16</sub>Cl<sub>4</sub>]·(MIm)<sub>2</sub>: an organic-ligand free discrete T3 cluster for efficient hydrogen evolution under visible light irradiation.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5020","5023","10.1039/d0dt00013b","","","1.3405","GaKα","","0.0759","0.0731","","","0.151","0.1522","","","","","","1.02","","","","has coordinates","251618","2020-10-21","18:00:00",""
"7703729","34.9266","0.0013","34.9266","0.0013","25.815","0.002","90","","90","","90","","31491","3","172","2","172","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C432 H480 F0 Fe8 N72 O48 S0 -","- C432 H480 Fe8 N72 O48 -","- C864 H960 Fe16 N144 O96 -","2","0.125","","Lu, Hui-Shu; Han, Wang-Kang; Yan, Xiaodong; Xu, Ya-Xin; Zhang, Hai-Xia; Li, Tao; Gong, Yu; Hu, Qing-Tao; Gu, Zhi-Guo","Supramolecular assemblies based on Fe<sub>8</sub>L<sub>12</sub> cubic metal-organic cages: synergistic adsorption and spin-crossover properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4220","4224","10.1039/d0dt00353k","","","0.71073","MoKα","","0.209","0.0847","","","0.2043","0.2615","","","","","","1.186","","","","has coordinates,has disorder","251636","2020-10-21","18:00:00",""
"7703730","35.1488","0.0012","35.1488","0.0012","25.6895","0.0018","90","","90","","90","","31738","3","173","2","173","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C448 H504 F12 Fe8 N72 O60 S4 -","- C448 H504 F12 Fe8 N72 O60 S4 -","- C896 H1008 F24 Fe16 N144 O120 S8 -","2","0.125","","Lu, Hui-Shu; Han, Wang-Kang; Yan, Xiaodong; Xu, Ya-Xin; Zhang, Hai-Xia; Li, Tao; Gong, Yu; Hu, Qing-Tao; Gu, Zhi-Guo","Supramolecular assemblies based on Fe<sub>8</sub>L<sub>12</sub> cubic metal-organic cages: synergistic adsorption and spin-crossover properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4220","4224","10.1039/d0dt00353k","","","0.71073","MoKα","","0.2017","0.1143","","","0.2729","0.3492","","","","","","1.198","","","","has coordinates,has disorder","251636","2020-10-21","18:00:00",""
"7703731","11.2065","0.0008","14.1626","0.001","16.1136","0.0011","69.848","0.003","85.511","0.003","87.425","0.003","2393.1","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H36 Ag2 N6 O5 S4 -","- C57 H36 Ag2 N6 O5 S4 -","- C114 H72 Ag4 N12 O10 S8 -","2","1","","Zatsikha, Yuriy V.; Shamova, Liliya I.; Blesener, Tanner S.; Herbert, David E.; Nemykin, Victor N.","Rigid, yet flexible: formation of unprecedented silver MB-DIPY dimers with orthogonal chromophore geometry.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5034","5038","10.1039/d0dt00927j","","","0.71073","MoKα","","0.1032","0.0554","","","0.1286","0.1482","","","","","","1.028","","","","has coordinates,has disorder","251626","2020-10-21","18:00:00",""
"7703732","15.3966","0.0008","17.1849","0.0009","20.4428","0.001","111.135","0.002","90.178","0.002","101.146","0.002","4934.2","0.4","150","2","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C73 H61 Dy5 N16 O24 -","- C73 H61 Dy5 N16 O24 -","- C146 H122 Dy10 N32 O48 -","2","1","","Meng, Ting; Liu, Tong; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Mitochondria-localizing dicarbohydrazide Ln complexes and their mechanism of in vitro anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4404","4415","10.1039/d0dt00210k","","","0.71073","MoKα","","0.1237","0.0668","","","0.1562","0.2054","","","","","","1.085","","","","has coordinates","251643","2020-10-21","18:00:00",""
"7703733","15.4027","0.0002","15.9505","0.0003","19.8366","0.0004","108.286","0.002","95.024","0.001","102.381","0.001","4456.31","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H61 Dy5 N12 O25 -","- C67 H61 Dy5 N12 O25 -","- C134 H122 Dy10 N24 O50 -","2","1","","Meng, Ting; Liu, Tong; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Mitochondria-localizing dicarbohydrazide Ln complexes and their mechanism of in vitro anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4404","4415","10.1039/d0dt00210k","","","1.54178","CuKα","","0.0605","0.0481","","","0.1243","0.1448","","","","","","1.108","","","","has coordinates","251643","2020-10-21","18:00:00",""
"7703734","15.3903","0.0011","17.2122","0.0014","20.4239","0.0016","111.207","0.003","90.116","0.004","101.204","0.003","4932.3","0.7","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H65 Gd5 N16 O25 -","- C74 H65 Gd5 N16 O25 -","- C148 H130 Gd10 N32 O50 -","2","1","","Meng, Ting; Liu, Tong; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Mitochondria-localizing dicarbohydrazide Ln complexes and their mechanism of in vitro anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4404","4415","10.1039/d0dt00210k","","","0.71073","MoKα","","0.0988","0.0531","","","0.1289","0.1534","","","","","","0.999","","","","has coordinates","251643","2020-10-21","18:00:00",""
"7703735","15.6215","0.0003","16.9622","0.0003","20.0435","0.0004","74.828","0.002","73.689","0.002","62.78","0.002","4477.19","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H57 Dy5 N12 O23 -","- C66 H59 Dy5 N12 O23 -","- C132 H118 Dy10 N24 O46 -","2","1","","Meng, Ting; Liu, Tong; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Mitochondria-localizing dicarbohydrazide Ln complexes and their mechanism of in vitro anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4404","4415","10.1039/d0dt00210k","","","0.71073","MoKα","","0.0703","0.0468","","","0.1176","0.1319","","","","","","1.022","","","","has coordinates","251643","2020-10-21","18:00:00",""
"7703736","15.3856","0.0002","16.2878","0.0002","19.7277","0.0002","78.402","0.001","74.551","0.001","78.443","0.001","4611.04","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H66 Dy5 N12 O25 -","- C72 H67 Dy5 N12 O25 -","- C144 H134 Dy10 N24 O50 -","2","1","","Meng, Ting; Liu, Tong; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Mitochondria-localizing dicarbohydrazide Ln complexes and their mechanism of in vitro anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4404","4415","10.1039/d0dt00210k","","","1.54178","CuKα","","0.0532","0.0432","","","0.1088","0.1335","","","","","","1.13","","","","has coordinates","251643","2020-10-21","18:00:00",""
"7703737","15.441","0.0009","17.2204","0.001","20.4129","0.0011","111.301","0.002","90.017","0.002","101.333","0.002","4943.1","0.5","150","2","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H65 N16 O25 Tb5 -","- C74 H65 N16 O25 Tb5 -","- C148 H130 N32 O50 Tb10 -","2","1","","Meng, Ting; Liu, Tong; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Mitochondria-localizing dicarbohydrazide Ln complexes and their mechanism of in vitro anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4404","4415","10.1039/d0dt00210k","","","0.71073","MoKα","","0.0788","0.0458","","","0.1098","0.1299","","","","","","1.036","","","","has coordinates","251643","2020-10-21","18:00:00",""
"7703738","13.8753","0.0004","14.9584","0.0004","18.8648","0.0006","77.359","0.001","76.291","0.001","86.483","0.001","3711.5","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H75 Cl4 Mn2 N17 O26 -","- C61 H75 Cl4 Mn2 N17 O26 -","- C122 H150 Cl8 Mn4 N34 O52 -","2","1","","Drahoš, Bohuslav; Císařová, Ivana; Laguta, Oleksii; Santana, Vinicius T.; Neugebauer, Petr; Herchel, Radovan","Structural, magnetic, redox and theoretical characterization of seven-coordinate first-row transition metal complexes with a macrocyclic ligand containing two benzimidazolyl N-pendant arms.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4425","4440","10.1039/d0dt00166j","","","0.71073","MoKα","","0.0689","0.0505","","","0.13","0.1375","","","","","","1.045","","","","has coordinates,has disorder","251635","2020-10-21","18:00:00",""
"7703739","13.8335","0.0004","14.9487","0.0004","18.7892","0.0005","77.147","0.001","76.102","0.001","86.413","0.001","3677.05","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H75 Cl4 Fe2 N17 O26 -","- C61 H75 Cl4 Fe2 N17 O26 -","- C122 H150 Cl8 Fe4 N34 O52 -","2","1","","Drahoš, Bohuslav; Císařová, Ivana; Laguta, Oleksii; Santana, Vinicius T.; Neugebauer, Petr; Herchel, Radovan","Structural, magnetic, redox and theoretical characterization of seven-coordinate first-row transition metal complexes with a macrocyclic ligand containing two benzimidazolyl N-pendant arms.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4425","4440","10.1039/d0dt00166j","","","0.71073","MoKα","","0.059","0.0535","","","0.1487","0.1521","","","","","","1.031","","","","has coordinates,has disorder","251635","2020-10-21","18:00:00",""
"7703740","13.8322","0.0004","14.9418","0.0004","18.7191","0.0005","77.145","0.001","76.418","0.001","86.214","0.001","3665.99","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H75 Cl4 Co2 N17 O26 -","- C61 H75 Cl4 Co2 N17 O26 -","- C122 H150 Cl8 Co4 N34 O52 -","2","1","","Drahoš, Bohuslav; Císařová, Ivana; Laguta, Oleksii; Santana, Vinicius T.; Neugebauer, Petr; Herchel, Radovan","Structural, magnetic, redox and theoretical characterization of seven-coordinate first-row transition metal complexes with a macrocyclic ligand containing two benzimidazolyl N-pendant arms.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4425","4440","10.1039/d0dt00166j","","","0.71073","MoKα","","0.0607","0.0457","","","0.1206","0.1273","","","","","","1.028","","","","has coordinates,has disorder","251635","2020-10-21","18:00:00",""
"7703741","13.8336","0.0004","14.9837","0.0004","18.6193","0.0005","76.937","0.001","76.347","0.001","86.028","0.001","3652.76","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30.5 H37.5 Cl2 N8.5 Ni O13 -","- C30.5 H37.5 Cl2 N8.5 Ni O13 -","- C122 H150 Cl8 N34 Ni4 O52 -","4","2","","Drahoš, Bohuslav; Císařová, Ivana; Laguta, Oleksii; Santana, Vinicius T.; Neugebauer, Petr; Herchel, Radovan","Structural, magnetic, redox and theoretical characterization of seven-coordinate first-row transition metal complexes with a macrocyclic ligand containing two benzimidazolyl N-pendant arms.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4425","4440","10.1039/d0dt00166j","","","0.71073","MoKα","","0.0641","0.0491","","","0.1278","0.137","","","","","","1.021","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7703742","15.6742","0.0016","9.0717","0.0008","26.436","0.003","90","","94.398","0.009","90","","3747.9","0.7","150","","150","","","","","","","","from U of Wollongong","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 N4 Ni O4 -","- C42 H48 N4 Ni O4 -","- C168 H192 N16 Ni4 O16 -","4","1","","Pham, Son Q. T.; Assadawi, Nawal; Wells, Jadon; Sophocleous, Reece A.; Davis, Kimberley J.; Yu, Haibo; Sluyter, Ronald; Dillon, Carolyn T.; Kelso, Celine; Beck, Jennifer L.; Willis, Anthony C.; Richardson, Christopher; Ralph, Stephen F.","A new class of quadruplex DNA-binding nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4843","4860","10.1039/d0dt00319k","","x-ray","1.54184","CuKα","","0.1307","0.081","","0.2019","0.1717","0.2019","","","","","","0.9532","","","","has coordinates","251668","2020-10-21","18:00:00",""
"7703743","12.8742","0.0001","9.3175","0.0001","25.5985","0.0002","90","","98.479","0.0007","90","","3037.11","0.05","150","","150","","","","","","","","from U of Wollongong","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H36 N2 Ni O8 S -","- C31 H36 N2 Ni O8 S -","- C124 H144 N8 Ni4 O32 S4 -","4","1","","Pham, Son Q. T.; Assadawi, Nawal; Wells, Jadon; Sophocleous, Reece A.; Davis, Kimberley J.; Yu, Haibo; Sluyter, Ronald; Dillon, Carolyn T.; Kelso, Celine; Beck, Jennifer L.; Willis, Anthony C.; Richardson, Christopher; Ralph, Stephen F.","A new class of quadruplex DNA-binding nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4843","4860","10.1039/d0dt00319k","","x-ray","1.54184","CuKα","","0.0313","0.0298","","0.0794","0.0783","0.0794","","","","","","0.9963","","","","has coordinates","251668","2020-10-21","18:00:00",""
"7703744","14.6486","0.0001","8.8879","0.0001","31.2974","0.0003","90","","91.8126","0.0008","90","","4072.74","0.07","150","","150","","","","","","","","from U of Wollongong","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 Cl2 N4 Ni O4 -","- C44 H52 Cl2 N4 Ni O4 -","- C176 H208 Cl8 N16 Ni4 O16 -","4","1","","Pham, Son Q. T.; Assadawi, Nawal; Wells, Jadon; Sophocleous, Reece A.; Davis, Kimberley J.; Yu, Haibo; Sluyter, Ronald; Dillon, Carolyn T.; Kelso, Celine; Beck, Jennifer L.; Willis, Anthony C.; Richardson, Christopher; Ralph, Stephen F.","A new class of quadruplex DNA-binding nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4843","4860","10.1039/d0dt00319k","","x-ray","1.54184","CuKα","","0.0556","0.0522","","0.1397","0.136","0.1397","","","","","","0.9957","","","","has coordinates","251668","2020-10-21","18:00:00",""
"7703745","9.9443","0.0002","10.8213","0.0002","15.0907","0.0003","90.918","0.0016","95.2472","0.0016","94.9377","0.0015","1610.64","0.05","150","","150","","","","","","","","from U of Wollongong","6","P -1","-P 1","2","","","","- C33 H38 N2 Ni O7 S2 -","- C33 H38 N2 Ni O7 S2 -","- C66 H76 N4 Ni2 O14 S4 -","2","1","","Pham, Son Q. T.; Assadawi, Nawal; Wells, Jadon; Sophocleous, Reece A.; Davis, Kimberley J.; Yu, Haibo; Sluyter, Ronald; Dillon, Carolyn T.; Kelso, Celine; Beck, Jennifer L.; Willis, Anthony C.; Richardson, Christopher; Ralph, Stephen F.","A new class of quadruplex DNA-binding nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4843","4860","10.1039/d0dt00319k","","x-ray","1.54184","CuKα","","0.0388","0.0383","","0.097","0.0967","0.097","","","","","","1.0076","","","","has coordinates","251668","2020-10-21","18:00:00",""
"7703746","10.5477","0.0005","15.4745","0.0006","16.5986","0.0008","88.093","0.003","83.802","0.004","70.576","0.004","2540.1","0.2","150","","150","","","","","","","","from U of Wollongong","5","P -1","-P 1","2","","","","- C56 H74 N6 Ni O6 -","- C56 H74 N6 Ni O6 -","- C112 H148 N12 Ni2 O12 -","2","1","","Pham, Son Q. T.; Assadawi, Nawal; Wells, Jadon; Sophocleous, Reece A.; Davis, Kimberley J.; Yu, Haibo; Sluyter, Ronald; Dillon, Carolyn T.; Kelso, Celine; Beck, Jennifer L.; Willis, Anthony C.; Richardson, Christopher; Ralph, Stephen F.","A new class of quadruplex DNA-binding nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4843","4860","10.1039/d0dt00319k","","x-ray","1.54184","CuKα","","0.091","0.0638","","0.1766","0.1534","0.1766","","","","","","0.9641","","","","has coordinates","251668","2020-10-21","18:00:00",""
"7703747","18.3041","0.0004","8.07129","0.00016","21.2716","0.0004","90","","100.144","0.002","90","","3093.49","0.11","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N'-Bis-(4-(hydroxybenzophenylidene))-2-hydroxy-1,3-propylenediaminenickel(II)","","- C33 H34 N4 Ni O7 -","- C33 H34 N4 Ni O7 -","- C132 H136 N16 Ni4 O28 -","4","1","","Pham, Son Q. T.; Assadawi, Nawal; Wells, Jadon; Sophocleous, Reece A.; Davis, Kimberley J.; Yu, Haibo; Sluyter, Ronald; Dillon, Carolyn T.; Kelso, Celine; Beck, Jennifer L.; Willis, Anthony C.; Richardson, Christopher; Ralph, Stephen F.","A new class of quadruplex DNA-binding nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4843","4860","10.1039/d0dt00319k","","x-ray","0.71073","MoKα","","0.0617","0.0448","","","0.1041","0.1109","","","","","","1.026","","","","has coordinates,has disorder","251668","2020-10-21","18:00:00",""
"7703748","11.8348","0.00019","12.9908","0.0002","16.1427","0.0003","67.3813","0.0017","74.2421","0.0015","79.8434","0.0015","2197.61","0.07","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","N,N'-Bis-(4-((1-(2-ethyl)piperidine)oxy)benzophenylidene)-1,2-propylenediaminenickel(II)","","- C43 H50 N4 Ni O4 -","- C43 H50 N4 Ni O4 -","- C86 H100 N8 Ni2 O8 -","2","1","","Pham, Son Q. T.; Assadawi, Nawal; Wells, Jadon; Sophocleous, Reece A.; Davis, Kimberley J.; Yu, Haibo; Sluyter, Ronald; Dillon, Carolyn T.; Kelso, Celine; Beck, Jennifer L.; Willis, Anthony C.; Richardson, Christopher; Ralph, Stephen F.","A new class of quadruplex DNA-binding nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4843","4860","10.1039/d0dt00319k","","x-ray","0.71073","MoKα","","0.0429","0.0354","","","0.0965","0.1","","","","","","1.071","","","","has coordinates,has disorder","251668","2020-10-21","18:00:00",""
"7703749","16.41","0.0002","9.8299","0.0002","21.9572","0.0005","90","","100.163","0.0018","90","","3486.31","0.12","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","N,N'-Bis-(4-(hydroxybenzophenylidene))ethylenediaminenickel(II)","","- C32 H22 D12 N2 Ni O6 S2 -","- C32 H22 D12 N2 Ni O6 S2 -","- C128 H88 D48 N8 Ni4 O24 S8 -","4","1","","Pham, Son Q. T.; Assadawi, Nawal; Wells, Jadon; Sophocleous, Reece A.; Davis, Kimberley J.; Yu, Haibo; Sluyter, Ronald; Dillon, Carolyn T.; Kelso, Celine; Beck, Jennifer L.; Willis, Anthony C.; Richardson, Christopher; Ralph, Stephen F.","A new class of quadruplex DNA-binding nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4843","4860","10.1039/d0dt00319k","","x-ray","0.71073","MoKα","","0.0389","0.0329","","","0.0862","0.0895","","","","","","1.024","","","","has coordinates,has disorder","251668","2020-10-21","18:00:00",""
"7703750","12.9739","0.0003","18.8657","0.0003","13.1912","0.0002","90","","97.9782","0.0017","90","","3197.45","0.1","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N'-Bis-(4,4'(dihydroxybenzophenylidene))ethylenediaminenickel(II)","","- C32 H38 N2 Ni O10 -","- C32 H38 N2 Ni O10 -","- C128 H152 N8 Ni4 O40 -","4","1","","Pham, Son Q. T.; Assadawi, Nawal; Wells, Jadon; Sophocleous, Reece A.; Davis, Kimberley J.; Yu, Haibo; Sluyter, Ronald; Dillon, Carolyn T.; Kelso, Celine; Beck, Jennifer L.; Willis, Anthony C.; Richardson, Christopher; Ralph, Stephen F.","A new class of quadruplex DNA-binding nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4843","4860","10.1039/d0dt00319k","","x-ray","0.71073","MoKα","","0.0508","0.0421","","","0.1158","0.1212","","","","","","1.031","","","","has coordinates","251668","2020-10-21","18:00:00",""
"7703751","9.5758","0.0004","33.1938","0.0014","8.9652","0.0003","90","","115.621","0.001","90","","2569.46","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 Fe N3 P -","- C29 H34 Fe N3 P -","- C116 H136 Fe4 N12 P4 -","4","1","","Bárta, Ondřej; Gyepes, Róbert; Císařová, Ivana; Alemayehu, Adam; Štěpnička, Petr","Synthesis and study of Fe →Pd interactions in unsymmetric Pd(ii) complexes with phosphinoferrocene guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4225","4229","10.1039/d0dt00812e","","","0.71073","MoKα","","0.0353","0.028","","","0.0666","0.0695","","","","","","1.034","","","","has coordinates","251644","2020-10-21","18:00:00",""
"7703752","10.5019","0.0006","10.3649","0.0006","17.149","0.0009","90","","103.169","0.002","90","","1817.6","0.18","120","2","120","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C35 H42 Cl F6 Fe N3 P Pd Sb -","- C35 H42 Cl F6 Fe N3 P Pd Sb -","- C70 H84 Cl2 F12 Fe2 N6 P2 Pd2 Sb2 -","2","1","","Bárta, Ondřej; Gyepes, Róbert; Císařová, Ivana; Alemayehu, Adam; Štěpnička, Petr","Synthesis and study of Fe →Pd interactions in unsymmetric Pd(ii) complexes with phosphinoferrocene guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4225","4229","10.1039/d0dt00812e","","","0.71073","MoKα","","0.0126","0.0124","","","0.0312","0.0317","","","","","","1.066","","","","has coordinates","251644","2020-10-21","18:00:00",""
"7703753","11.7326","0.0006","11.979","0.0006","12.1754","0.0006","84.599","0.001","75.101","0.001","81.174","0.002","1631.4","0.14","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H42 Cl2 Fe N3 P Pd -","- C35 H42 Cl2 Fe N3 P Pd -","- C70 H84 Cl4 Fe2 N6 P2 Pd2 -","2","1","","Bárta, Ondřej; Gyepes, Róbert; Císařová, Ivana; Alemayehu, Adam; Štěpnička, Petr","Synthesis and study of Fe →Pd interactions in unsymmetric Pd(ii) complexes with phosphinoferrocene guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4225","4229","10.1039/d0dt00812e","","","0.71073","MoKα","","0.0213","0.0195","","","0.0467","0.0477","","","","","","1.054","","","","has coordinates","251644","2020-10-21","18:00:00",""
"7703754","10.8536","0.0005","11.6697","0.0005","17.6614","0.0008","97.12","0.001","106.206","0.001","108.55","0.001","1980.09","0.16","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C39.25 H38.5 Cl1.5 F6 Fe N3 P Pd Sb -","- C39.25 H38.5 Cl1.5 F6 Fe N3 P Pd Sb -","- C78.5 H77 Cl3 F12 Fe2 N6 P2 Pd2 Sb2 -","2","1","","Bárta, Ondřej; Gyepes, Róbert; Císařová, Ivana; Alemayehu, Adam; Štěpnička, Petr","Synthesis and study of Fe →Pd interactions in unsymmetric Pd(ii) complexes with phosphinoferrocene guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4225","4229","10.1039/d0dt00812e","","","0.71073","MoKα","","0.0249","0.0237","","","0.0599","0.0607","","","","","","1.055","","","","has coordinates","251644","2020-10-21","18:00:00",""
"7703755","13.2176","0.0005","13.0451","0.0004","16.9643","0.0007","90","","98.462","0.002","90","","2893.22","0.19","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 Cl2 Fe N3 P Pd -","- C29 H34 Cl2 Fe N3 P Pd -","- C116 H136 Cl8 Fe4 N12 P4 Pd4 -","4","1","","Bárta, Ondřej; Gyepes, Róbert; Císařová, Ivana; Alemayehu, Adam; Štěpnička, Petr","Synthesis and study of Fe →Pd interactions in unsymmetric Pd(ii) complexes with phosphinoferrocene guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4225","4229","10.1039/d0dt00812e","","","0.71073","MoKα","","0.0322","0.0236","","","0.0524","0.0555","","","","","","1.037","","","","has coordinates","251644","2020-10-21","18:00:00",""
"7703756","16.6294","0.0003","10.307","0.0002","20.8488","0.0004","90","","105.72","0.001","90","","3439.81","0.11","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 Cl F6 Fe N3 P Pd Sb -","- C29 H34 Cl F6 Fe N3 P Pd Sb -","- C116 H136 Cl4 F24 Fe4 N12 P4 Pd4 Sb4 -","4","1","","Bárta, Ondřej; Gyepes, Róbert; Císařová, Ivana; Alemayehu, Adam; Štěpnička, Petr","Synthesis and study of Fe →Pd interactions in unsymmetric Pd(ii) complexes with phosphinoferrocene guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4225","4229","10.1039/d0dt00812e","","","0.71073","MoKα","","0.0244","0.0222","","","0.0539","0.0549","","","","","","1.077","","","","has coordinates","251644","2020-10-21","18:00:00",""
"7703757","10.1594","0.0005","12.8169","0.0006","14.6022","0.0011","115.562","0.002","96.014","0.002","106.604","0.002","1585.52","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H38 Fe N3 P -","- C39 H38 Fe N3 P -","- C78 H76 Fe2 N6 P2 -","2","1","","Bárta, Ondřej; Gyepes, Róbert; Císařová, Ivana; Alemayehu, Adam; Štěpnička, Petr","Synthesis and study of Fe →Pd interactions in unsymmetric Pd(ii) complexes with phosphinoferrocene guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4225","4229","10.1039/d0dt00812e","","","0.71073","MoKα","","0.0351","0.0299","","","0.0717","0.0743","","","","","","1.034","","","","has coordinates","251644","2020-10-21","18:00:00",""
"7703758","13.8254","0.0005","13.2164","0.0004","15.3735","0.0005","90","","98.088","0.003","90","","2781.14","0.16","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30.05 H29.1 B Cl0.1 F4 N2 O4 -","- C30.05 H29.1 B Cl0.1 F4 N2 O4 -","- C120.2 H116.4 B4 Cl0.4 F16 N8 O16 -","4","1","","Mei, Liangyong; Veleta, José M; Bloch, Jan; Goodman, Hannah J.; Pierce-Navarro, Dominic; Villalobos, Alejandro; Gianetti, Thomas L.","Tunable carbocation-based redox active ambiphilic ligands: synthesis, coordination and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16095","16105","10.1039/d0dt00419g","","x-ray","0.71073","MoKα","","0.085","0.0513","","","0.1024","0.1179","","","","","","1.026","","","","has coordinates,has disorder","260794","2021-01-07","06:33:15",""
"7703759","10.823","0.003","21.139","0.005","12.359","0.003","90","","110.983","0.012","90","","2640.1","1.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","mly135","","- C32 H31 B F4 N2 O2 -","- C31 H30 B F4 N3 O2 -","- C124 H120 B4 F16 N12 O8 -","4","1","","Mei, Liangyong; Veleta, José M; Bloch, Jan; Goodman, Hannah J.; Pierce-Navarro, Dominic; Villalobos, Alejandro; Gianetti, Thomas L.","Tunable carbocation-based redox active ambiphilic ligands: synthesis, coordination and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16095","16105","10.1039/d0dt00419g","","","0.71073","MoKα","","0.0778","0.0546","","","0.1458","0.16","","","","","","1.061","","","","has coordinates","260794","2021-01-07","06:33:15",""
"7703760","7.9579","0.0003","12.8642","0.0004","16.4462","0.0005","67.782","0.003","76.185","0.003","78.925","0.003","1503.8","0.09","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H30 Cl3 Co N3 O4 -","- C31 H30 Cl3 Co N3 O4 -","- C62 H60 Cl6 Co2 N6 O8 -","2","1","","Mei, Liangyong; Veleta, José M; Bloch, Jan; Goodman, Hannah J.; Pierce-Navarro, Dominic; Villalobos, Alejandro; Gianetti, Thomas L.","Tunable carbocation-based redox active ambiphilic ligands: synthesis, coordination and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16095","16105","10.1039/d0dt00419g","","x-ray","0.71073","MoKα","","0.0664","0.0431","","","0.0894","0.1025","","","","","","1.051","","","","has coordinates","260794","2021-01-07","06:33:15",""
"7703761","7.5471","0.0002","13.4245","0.0004","16.5205","0.0005","110.441","0.003","98.644","0.003","101.914","0.002","1488.78","0.09","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H31 Cl3 N2 Ni O4.5 -","- C31 H31 Cl3 N2 Ni O4.5 -","- C62 H62 Cl6 N4 Ni2 O9 -","2","1","","Mei, Liangyong; Veleta, José M; Bloch, Jan; Goodman, Hannah J.; Pierce-Navarro, Dominic; Villalobos, Alejandro; Gianetti, Thomas L.","Tunable carbocation-based redox active ambiphilic ligands: synthesis, coordination and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16095","16105","10.1039/d0dt00419g","","x-ray","0.71073","MoKα","","0.0623","0.0455","","","0.0961","0.1071","","","","","","1.076","","","","has coordinates,has disorder","260794","2021-01-07","06:33:15",""
"7703762","25.405","0.006","10.88","0.002","25.515","0.008","90","","117.562","0.009","90","","6252","3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H33 Cl3 Co N4 O2 -","- C33 H33 Cl3 Co N4 O2 -","- C264 H264 Cl24 Co8 N32 O16 -","8","1","","Mei, Liangyong; Veleta, José M; Bloch, Jan; Goodman, Hannah J.; Pierce-Navarro, Dominic; Villalobos, Alejandro; Gianetti, Thomas L.","Tunable carbocation-based redox active ambiphilic ligands: synthesis, coordination and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16095","16105","10.1039/d0dt00419g","","","0.71073","MoKα","","0.0683","0.0418","","","0.0916","0.1025","","","","","","1.028","","","","has coordinates","260794","2021-01-07","06:33:15",""
"7703763","8.7176","0.0003","12.5351","0.0004","13.2082","0.0005","84.043","0.003","74.577","0.003","85.088","0.003","1381.31","0.09","100","0.16","100","0.16","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Cl3 Co N2 O4 -","- C30 H29 Cl3 Co N2 O4 -","- C60 H58 Cl6 Co2 N4 O8 -","2","1","","Mei, Liangyong; Veleta, José M; Bloch, Jan; Goodman, Hannah J.; Pierce-Navarro, Dominic; Villalobos, Alejandro; Gianetti, Thomas L.","Tunable carbocation-based redox active ambiphilic ligands: synthesis, coordination and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16095","16105","10.1039/d0dt00419g","","x-ray","0.71073","MoKα","","0.0673","0.043","","","0.0869","0.099","","","","","","1.068","","","","has coordinates","260794","2021-01-07","06:33:15",""
"7703764","8.6529","0.0003","12.5362","0.0004","13.2372","0.0005","83.92","0.003","74.506","0.003","84.865","0.003","1373.12","0.09","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Cl3 N2 Ni O4 -","- C30 H29 Cl3 N2 Ni O4 -","- C60 H58 Cl6 N4 Ni2 O8 -","2","1","","Mei, Liangyong; Veleta, José M; Bloch, Jan; Goodman, Hannah J.; Pierce-Navarro, Dominic; Villalobos, Alejandro; Gianetti, Thomas L.","Tunable carbocation-based redox active ambiphilic ligands: synthesis, coordination and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16095","16105","10.1039/d0dt00419g","","x-ray","0.71073","MoKα","","0.0568","0.0414","","","0.0956","0.1067","","","","","","1.059","","","","has coordinates","260794","2021-01-07","06:33:15",""
"7703765","17.6162","0.0005","9.1037","0.0002","10.3973","0.0003","90","","105.338","0.003","90","","1608.05","0.08","130","2","130","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C38 H34 N2 O6 Zn -","- C38 H34 N2 O6 Zn -","- C76 H68 N4 O12 Zn2 -","2","1","","Aleksovska, Angela; Lönnecke, Peter; Hey-Hawkins, Evamarie","Zn- and Cd-based coordination polymers with a novel anthracene dicarboxylate ligand for highly selective detection of hydrogen peroxide.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4817","4823","10.1039/d0dt00333f","","","0.71073","MoKα","","0.0577","0.0457","","","0.1043","0.1116","","","","","","1.059","","","","has coordinates","251650","2020-10-21","18:00:00",""
"7703766","8.0584","0.0002","9.4051","0.0002","41.9284","0.0008","90","","91.246","0.002","90","","3177","0.12","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Cd N2 O6 -","- C38 H34 Cd N2 O6 -","- C152 H136 Cd4 N8 O24 -","4","1","","Aleksovska, Angela; Lönnecke, Peter; Hey-Hawkins, Evamarie","Zn- and Cd-based coordination polymers with a novel anthracene dicarboxylate ligand for highly selective detection of hydrogen peroxide.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4817","4823","10.1039/d0dt00333f","","","0.71073","MoKα","","0.0489","0.0387","","","0.086","0.0943","","","","","","0.983","","","","has coordinates,has disorder","251650","2020-10-21","18:00:00",""
"7703767","7.8864","0.0004","9.2043","0.0004","11.9198","0.0006","76.155","0.004","81.642","0.004","75.045","0.004","808.42","0.07","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H40 N2 O6 -","- C40 H40 N2 O6 -","- C40 H40 N2 O6 -","1","0.5","","Aleksovska, Angela; Lönnecke, Peter; Hey-Hawkins, Evamarie","Zn- and Cd-based coordination polymers with a novel anthracene dicarboxylate ligand for highly selective detection of hydrogen peroxide.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4817","4823","10.1039/d0dt00333f","","","0.71073","MoKα","","0.0702","0.0501","","","0.1172","0.1291","","","","","","1.015","","","","has coordinates,has disorder","251650","2020-10-21","18:00:00",""
"7703768","9.5838","0.0006","13.0175","0.0009","13.8929","0.0009","96.049","0.001","91.88","0.001","107.217","0.001","1642.61","0.19","173","2","173.01","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H64 Br4 N4 Ni2 O2 -","- C78 H64 Br4 N4 Ni2 O2 -","- C78 H64 Br4 N4 Ni2 O2 -","1","0.5","","Wang, Chaoqun; Zhang, Yuxing; Mu, Hongliang; Jian, Zhongbao","Systematic studies on dibenzhydryl and pentiptycenyl substituted pyridine-imine nickel(ii) mediated ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4824","4833","10.1039/d0dt00505c","","","0.71073","MoKα","","0.0358","0.0284","","","0.0711","0.0756","","","","","","1.02","","","","has coordinates","251655","2020-10-21","18:00:00",""
"7703769","10.9201","0.0002","22.8955","0.0005","14.1583","0.0003","90","","109.86","0.001","90","","3329.34","0.12","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H60 Br4 N4 Ni2 O2 -","- C84 H60 Br4 N4 Ni2 O2 -","- C168 H120 Br8 N8 Ni4 O4 -","2","0.5","","Wang, Chaoqun; Zhang, Yuxing; Mu, Hongliang; Jian, Zhongbao","Systematic studies on dibenzhydryl and pentiptycenyl substituted pyridine-imine nickel(ii) mediated ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4824","4833","10.1039/d0dt00505c","","","1.54184","CuKα","","0.0596","0.0485","","","0.1231","0.1371","","","","","","1.075","","","","has coordinates","251655","2020-10-21","18:00:00",""
"7703770","11.6818","0.0017","16.776","0.002","22.885","0.003","90","","104.612","0.003","90","","4339.8","1","173","2","173.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H56 Br4 N4 Ni2 O2 -","- C82 H56 Br4 N4 Ni2 O2 -","- C164 H112 Br8 N8 Ni4 O4 -","2","0.5","","Wang, Chaoqun; Zhang, Yuxing; Mu, Hongliang; Jian, Zhongbao","Systematic studies on dibenzhydryl and pentiptycenyl substituted pyridine-imine nickel(ii) mediated ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4824","4833","10.1039/d0dt00505c","","","0.71073","MoKα","","0.1013","0.0806","","","0.2202","0.2325","","","","","","1.014","","","","has coordinates","251655","2020-10-21","18:00:00",""
"7703771","10.7994","0.0007","20.1287","0.0014","16.4169","0.0011","90","","105.258","0.001","90","","3442.9","0.4","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Br2 N2 Ni O -","- C40 H34 Br2 N2 Ni O -","- C160 H136 Br8 N8 Ni4 O4 -","4","1","","Wang, Chaoqun; Zhang, Yuxing; Mu, Hongliang; Jian, Zhongbao","Systematic studies on dibenzhydryl and pentiptycenyl substituted pyridine-imine nickel(ii) mediated ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4824","4833","10.1039/d0dt00505c","","","0.71073","MoKα","","0.0504","0.033","","","0.0703","0.0775","","","","","","1.048","","","","has coordinates","251655","2020-10-21","18:00:00",""
"7703772","16.4698","0.0008","8.1305","0.0004","17.6932","0.0009","90","","100.979","0.002","90","","2325.9","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 Cl2 Co N3 O -","- C23 H29 Cl2 Co N3 O -","- C92 H116 Cl8 Co4 N12 O4 -","4","1","","Acharya, Joydev; Sarkar, Arup; Kumar, Pawan; Kumar, Vierandra; Flores Gonzalez, Jessica; Cador, Olivier; Pointillart, Fabrice; Rajaraman, Gopalan; Chandrasekhar, Vadapalli","Influence of ligand field on magnetic anisotropy in a family of pentacoordinate Co<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4785","4796","10.1039/d0dt00315h","","","0.71073","MoKα","","0.042","0.0335","","","0.0782","0.083","","","","","","1.058","","","","has coordinates","251656","2020-10-21","18:00:00",""
"7703773","8.4712","0.0001","9.4205","0.0002","15.808","0.0002","101.448","0.001","91.172","0.001","102.322","0.001","1205.34","0.03","119.97","0.1","119.97","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Co N5 S2 -","- C24 H25 Co N5 S2 -","- C48 H50 Co2 N10 S4 -","2","1","","Acharya, Joydev; Sarkar, Arup; Kumar, Pawan; Kumar, Vierandra; Flores Gonzalez, Jessica; Cador, Olivier; Pointillart, Fabrice; Rajaraman, Gopalan; Chandrasekhar, Vadapalli","Influence of ligand field on magnetic anisotropy in a family of pentacoordinate Co<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4785","4796","10.1039/d0dt00315h","","x-ray","0.71073","MoKα","","0.0381","0.0329","","","0.0826","0.0857","","","","","","1.072","","","","has coordinates","251656","2020-10-21","18:00:00",""
"7703774","8.3183","0.0014","10.3241","0.0018","13.067","0.002","98.325","0.005","92.15","0.005","110.353","0.005","1036.4","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 Cl2 N3 Zn -","- C22 H25 Cl2 N3 Zn -","- C44 H50 Cl4 N6 Zn2 -","2","1","","Acharya, Joydev; Sarkar, Arup; Kumar, Pawan; Kumar, Vierandra; Flores Gonzalez, Jessica; Cador, Olivier; Pointillart, Fabrice; Rajaraman, Gopalan; Chandrasekhar, Vadapalli","Influence of ligand field on magnetic anisotropy in a family of pentacoordinate Co<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4785","4796","10.1039/d0dt00315h","","","0.71073","MoKα","","0.0789","0.0664","","","0.1808","0.1948","","","","","","1.041","","","","has coordinates","251656","2020-10-21","18:00:00",""
"7703775","8.4626","0.0005","10.2744","0.0006","13.2348","0.0007","98.374","0.002","90.925","0.002","109.403","0.002","1071.24","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 Br2 N3 Zn -","- C22 H25 Br2 N3 Zn -","- C44 H50 Br4 N6 Zn2 -","2","1","","Acharya, Joydev; Sarkar, Arup; Kumar, Pawan; Kumar, Vierandra; Flores Gonzalez, Jessica; Cador, Olivier; Pointillart, Fabrice; Rajaraman, Gopalan; Chandrasekhar, Vadapalli","Influence of ligand field on magnetic anisotropy in a family of pentacoordinate Co<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4785","4796","10.1039/d0dt00315h","","","0.71073","MoKα","","0.0552","0.0389","","","0.0835","0.0993","","","","","","1.047","","","","has coordinates","251656","2020-10-21","18:00:00",""
"7703776","8.4526","0.0006","10.2684","0.0008","13.3275","0.0011","99.01","0.002","90.814","0.002","110.221","0.002","1069.15","0.14","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 Br2 Co N3 -","- C22 H25 Br2 Co N3 -","- C44 H50 Br4 Co2 N6 -","2","1","","Acharya, Joydev; Sarkar, Arup; Kumar, Pawan; Kumar, Vierandra; Flores Gonzalez, Jessica; Cador, Olivier; Pointillart, Fabrice; Rajaraman, Gopalan; Chandrasekhar, Vadapalli","Influence of ligand field on magnetic anisotropy in a family of pentacoordinate Co<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4785","4796","10.1039/d0dt00315h","","","0.71073","MoKα","","0.0441","0.0291","","","0.0806","0.1039","","","","","","1.189","","","","has coordinates","251656","2020-10-21","18:00:00",""
"7703777","13.817","0.0002","4.7263","0.0001","18.1904","0.0003","90","","102.366","0.002","90","","1160.33","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 B O2 -","- C16 H11 B O2 -","- C64 H44 B4 O8 -","4","1","","Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens","Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4834","4842","10.1039/d0dt00745e","","x-ray","1.54178","CuKα","","0.0418","0.0394","","","0.1113","0.1135","","","","","","1.098","","","","has coordinates","251653","2020-10-21","18:00:00",""
"7703778","12.3335","0.0002","5.125","0.0001","12.2086","0.0003","90","","100.641","0.002","90","","758.43","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 B2 O4 -","- C20 H12 B2 O4 -","- C40 H24 B4 O8 -","2","0.5","","Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens","Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4834","4842","10.1039/d0dt00745e","","x-ray","1.54178","CuKα","","0.0454","0.0394","","","0.0951","0.0981","","","","","","1.177","","","","has coordinates,has disorder","251653","2020-10-21","18:00:00",""
"7703779","22.9961","0.0002","8.7684","0.0001","14.2648","0.0002","90","","102.73","0.001","90","","2805.64","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 B O3 -","- C11 H9 B O3 -","- C132 H108 B12 O36 -","12","3","","Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens","Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4834","4842","10.1039/d0dt00745e","","x-ray","1.54178","CuKα","","0.0393","0.0343","","","0.0907","0.094","","","","","","1.059","","","","has coordinates","251653","2020-10-21","18:00:00",""
"7703780","14.6895","0.0001","4.7207","0.0001","18.1961","0.0002","90","","102.421","0.001","90","","1232.27","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 B F3 O2 -","- C16 H8 B F3 O2 -","- C64 H32 B4 F12 O8 -","4","1","","Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens","Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4834","4842","10.1039/d0dt00745e","","x-ray","1.54178","CuKα","","0.0365","0.0348","","","0.1012","0.1033","","","","","","1.067","","","","has coordinates","251653","2020-10-21","18:00:00",""
"7703781","9.30604","0.00007","9.01092","0.00006","15.64505","0.00012","90","","103.849","0.0007","90","","1273.79","0.017","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H6 B F5 O2 -","- C16 H6 B F5 O2 -","- C64 H24 B4 F20 O8 -","4","1","","Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens","Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4834","4842","10.1039/d0dt00745e","","x-ray","1.54178","CuKα","","0.0341","0.0329","","","0.0941","0.0955","","","","","","1.055","","","","has coordinates","251653","2020-10-21","18:00:00",""
"7703782","16.7035","0.0001","16.7035","0.0001","23.095","0.0002","90","","90","","120","","5580.38","0.07","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C76 H84 B6 N8 O12 -","- C76 H83.9994 B6 N8 O12 -","- C228 H251.998 B18 N24 O36 -","3","0.166667","","Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens","Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4834","4842","10.1039/d0dt00745e","","x-ray","1.54178","CuKα","","0.0395","0.0384","","","0.1041","0.1051","","","","","","1.045","","","","has coordinates","251653","2020-10-21","18:00:00",""
"7703783","9","0.002","9.222","0.002","15.177","0.003","90","","102.643","0.003","90","","1229.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 B F3 O2 -","- C16 H8 B F3 O2 -","- C64 H32 B4 F12 O8 -","4","1","","Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens","Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4834","4842","10.1039/d0dt00745e","","","0.71073","MoKα","","0.0685","0.0419","","","0.096","0.1066","","","","","","1.052","","","","has coordinates","251653","2020-10-21","18:00:00",""
"7703784","11.8872","0.0001","19.0982","0.0001","11.3226","0.0001","90","","102.329","0.001","90","","2511.22","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 B Cl O4 P2 -","- C22 H36 B Cl O4 P2 -","- C88 H144 B4 Cl4 O16 P8 -","4","1","","Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens","Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4834","4842","10.1039/d0dt00745e","","x-ray","1.54178","CuKα","","0.0404","0.0373","","","0.0963","0.0985","","","","","","1.039","","","","has coordinates,has disorder","251653","2020-10-21","18:00:00",""
"7703785","7.7613","0.0005","23.5453","0.0015","8.1854","0.0005","90","","98.411","0.001","90","","1479.73","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 B O4 -","- C18 H15 B O4 -","- C72 H60 B4 O16 -","4","1","","Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens","Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4834","4842","10.1039/d0dt00745e","","","0.71073","MoKα","","0.0388","0.0352","","","0.0931","0.0962","","","","","","1.054","","","","has coordinates","251653","2020-10-21","18:00:00",""
"7703786","12.73","0.0002","13.2386","0.0002","15.2532","0.0002","84.424","0.001","74.941","0.001","88.598","0.001","2470.56","0.06","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H88 B5 Cl4 N8 O11 -","- C114 H88 B5 Cl4 N8 O11 -","- C114 H88 B5 Cl4 N8 O11 -","1","0.5","","Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens","Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4834","4842","10.1039/d0dt00745e","","x-ray","1.54178","CuKα","","0.051","0.0396","","","0.1036","0.1097","","","","","","1.045","","","","has coordinates,has disorder","251653","2020-10-21","18:00:00",""
"7703787","7.4723","0.0002","8.4806","0.0001","13.3696","0.0003","87.668","0.002","82.555","0.002","67.591","0.002","776.61","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 B2 O5 -","- C20 H12 B2 O5 -","- C40 H24 B4 O10 -","2","1","","Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens","Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4834","4842","10.1039/d0dt00745e","","x-ray","1.54178","CuKα","","0.0362","0.0333","","","0.0923","0.095","","","","","","1.09","","","","has coordinates","251653","2020-10-21","18:00:00",""
"7703788","8.5798","0.0001","11.1059","0.0001","12.9485","0.0001","90","","99.977","0.001","90","","1215.16","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 B F2 O2 -","- C16 H9 B F2 O2 -","- C64 H36 B4 F8 O8 -","4","1","","Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens","Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4834","4842","10.1039/d0dt00745e","","x-ray","1.54178","CuKα","","0.0324","0.0311","","","0.0842","0.0853","","","","","","1.06","","","","has coordinates","251653","2020-10-21","18:00:00",""
"7703789","6.069","0.0003","8.383","0.0006","12.2268","0.0006","83.361","0.002","78.909","0.002","75.168","0.002","588.65","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H24 N14 O10 S2 -","- C10 H24 N14 O10 S2 -","- C10 H24 N14 O10 S2 -","1","0.5","","Zhang, Shiyu; Cheng, Guangbin; Yang, Hongwei","Studies on the synthesis and properties of nitramino compounds based on tetrazine backbones.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5590","5596","10.1039/c9dt04426d","","","0.71073","MoKα","","0.0572","0.0451","","","0.1084","0.116","","","","","","1.063","","","","has coordinates","252758","2020-10-21","18:00:00",""
"7703790","7.5426","0.0008","7.2253","0.0008","21.79","0.002","90","","92.711","0.003","90","","1186.2","0.2","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 N14 O10 -","- C12 H30 N14 O10 -","- C24 H60 N28 O20 -","2","0.5","","Zhang, Shiyu; Cheng, Guangbin; Yang, Hongwei","Studies on the synthesis and properties of nitramino compounds based on tetrazine backbones.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5590","5596","10.1039/c9dt04426d","","","0.71073","MoKα","","0.1053","0.0608","","","0.1585","0.1992","","","","","","1.071","","","","has coordinates","252758","2020-10-21","18:00:00",""
"7703791","14.5553","0.0005","28.1801","0.0008","19.0752","0.0006","90","","102.067","0.003","90","","7651.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H79 Cl2 Co N3 -","- C86 H79 Cl2 Co N3 -","- C344 H316 Cl8 Co4 N12 -","4","1","","Han, Mingyang; Zhang, Qiuyue; Oleynik, Ivan I.; Suo, Hongyi; Solan, Gregory A.; Oleynik, Irina V.; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","High molecular weight polyethylenes of narrow dispersity promoted using bis(arylimino)cyclohepta[b]pyridine-cobalt catalysts ortho-substituted with benzhydryl & cycloalkyl groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4774","4784","10.1039/d0dt00576b","","","0.71073","MoKα","","0.1981","0.1307","","","0.3244","0.3715","","","","","","1.065","","","","has coordinates,has disorder","251666","2020-10-21","18:00:00",""
"7703792","13.8218","0.0007","26.1887","0.0009","19.0442","0.0008","90","","110.514","0.005","90","","6456.4","0.5","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H77 Cl4 Co N3 -","- C71 H77 Cl4 Co N3 -","- C284 H308 Cl16 Co4 N12 -","4","1","","Han, Mingyang; Zhang, Qiuyue; Oleynik, Ivan I.; Suo, Hongyi; Solan, Gregory A.; Oleynik, Irina V.; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","High molecular weight polyethylenes of narrow dispersity promoted using bis(arylimino)cyclohepta[b]pyridine-cobalt catalysts ortho-substituted with benzhydryl & cycloalkyl groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4774","4784","10.1039/d0dt00576b","","","0.71073","MoKα","","0.1149","0.0728","","","0.187","0.2198","","","","","","1.024","","","","has coordinates,has disorder","251666","2020-10-21","18:00:00",""
"7703793","32.8106","0.0006","32.8106","0.0006","31.0827","0.0009","90","","90","","90","","33461.6","1.3","173","","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C92 H91 Cl2 Co N3 -","- C92 H91 Cl2 Co N3 -","- C1472 H1456 Cl32 Co16 N48 -","16","1","","Han, Mingyang; Zhang, Qiuyue; Oleynik, Ivan I.; Suo, Hongyi; Solan, Gregory A.; Oleynik, Irina V.; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","High molecular weight polyethylenes of narrow dispersity promoted using bis(arylimino)cyclohepta[b]pyridine-cobalt catalysts ortho-substituted with benzhydryl & cycloalkyl groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4774","4784","10.1039/d0dt00576b","","","0.71073","MoKα","","0.203","0.1079","","","0.2453","0.3005","","","","","","1.029","","","","has coordinates,has disorder","251666","2020-10-21","18:00:00",""
"7703794","10.108","0.002","11.895","0.002","11.922","0.002","90","","109.549","0.005","90","","1350.8","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Br3 N2 Sb -","- C10 H8 Br3 N2 Sb -","- C40 H32 Br12 N8 Sb4 -","4","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0491","0.0314","","","0.0552","0.0603","","","","","","1.017","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703795","8.883","0.0007","9.5706","0.0008","10.6472","0.0009","67.951","0.003","85.798","0.003","78.961","0.003","823.45","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 I3 N2 Sb -","- C12 H10 I3 N2 Sb -","- C24 H20 I6 N4 Sb2 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0606","0.0348","","","0.0662","0.0742","","","","","","1.026","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703796","8.9201","0.0019","9.0385","0.0018","9.896","0.002","73.326","0.007","72.259","0.007","76.842","0.007","719.3","0.3","100","2","100","","","","","","","","","5","P -1","-P 1","2","Antimony chloride 1,2-Bis(4-pyridyl)ethane coordination polymer","","","- C12 H12 Cl3 N2 Sb -","- C12 H12 Cl3 N2 Sb -","- C24 H24 Cl6 N4 Sb2 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0842","0.0526","","","0.1138","0.1275","","","","","","1.01","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703797","8.8098","0.0007","9.2439","0.0008","9.9241","0.0008","74.791","0.003","65.696","0.003","74.641","0.003","699.36","0.1","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Bi Cl3 N2 -","- C12 H10 Bi Cl3 N2 -","- C24 H20 Bi2 Cl6 N4 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0286","0.0239","","","0.0524","0.0542","","","","","","1.068","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703798","8.854","0.0018","9.0738","0.0018","9.4445","0.0019","77.42","0.03","69.22","0.03","75.99","0.03","681","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cl3 N2 Sb -","- C12 H10 Cl3 N2 Sb -","- C24 H20 Cl6 N4 Sb2 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0412","0.0303","","","0.0602","0.0633","","","","","","1.029","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703799","8.9483","0.0004","9.4511","0.0004","10.5223","0.0006","69.645","0.003","70.592","0.003","78.476","0.002","783.33","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Bi Br3 N2 -","- C12 H12 Bi Br3 N2 -","- C24 H24 Bi2 Br6 N4 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0478","0.0361","","","0.081","0.0872","","","","","","1.036","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703800","7.6243","0.0005","9.9837","0.0007","10.7548","0.0007","117.035","0.003","90.144","0.003","95.474","0.003","724.89","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 I3 N2 Sb -","- C10 H8 I3 N2 Sb -","- C20 H16 I6 N4 Sb2 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.02","0.0182","","","0.0431","0.0438","","","","","","1.089","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703801","8.9715","0.0011","9.0939","0.0013","10.1897","0.0015","70.894","0.004","73.05","0.003","77.176","0.003","744.02","0.18","300","2","300","","","","","","","","","5","P -1","-P 1","2","Antimony 1,2-di(pyridin-4-yl)ethane trichloride","","","- C12 H12 Cl3 N2 Sb -","- C12 H12 Cl3 N2 Sb -","- C24 H24 Cl6 N4 Sb2 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0583","0.0411","","","0.0915","0.097","","","","","","1.034","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703802","8.9814","0.0005","9.6454","0.0005","10.7022","0.0006","67.547","0.002","84.936","0.002","78.17","0.002","838.59","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Bi I3 N2 -","- C12 H10 Bi I3 N2 -","- C24 H20 Bi2 I6 N4 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0329","0.026","","","0.0469","0.0496","","","","","","1.057","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703803","9.2174","0.0007","9.864","0.0008","11.0619","0.0008","66.722","0.002","73.097","0.002","84.01","0.002","883.91","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Bi I3 N2 -","- C12 H12 Bi I3 N2 -","- C24 H24 Bi2 I6 N4 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0295","0.0256","","","0.0567","0.0586","","","","","","1.032","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703804","9.621","0.0019","11.545","0.002","11.876","0.002","90","","109.13","0.03","90","","1246.3","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl3 N2 Sb -","- C10 H8 Cl3 N2 Sb -","- C40 H32 Cl12 N8 Sb4 -","4","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0456","0.034","","","0.0809","0.0867","","","","","","1.063","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703805","8.8401","0.0007","9.1362","0.0007","10.5082","0.0009","68.695","0.004","71.645","0.004","75.065","0.003","740.54","0.11","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Bi Cl3 N2 -","- C12 H12 Bi Cl3 N2 -","- C24 H24 Bi2 Cl6 N4 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0381","0.0307","","","0.0694","0.0749","","","","","","1.089","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703806","8.912","0.0007","9.4583","0.0008","10.5549","0.0009","68.216","0.002","71.675","0.002","80.174","0.002","782.8","0.11","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Br3 N2 Sb -","- C12 H12 Br3 N2 Sb -","- C24 H24 Br6 N4 Sb2 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0583","0.0401","","","0.084","0.0902","","","","","","1.038","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703807","9.0434","0.0009","9.1919","0.0009","10.1119","0.001","77.649","0.003","65.792","0.003","75.676","0.003","736.77","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Bi Br3 N2 -","- C12 H10 Bi Br3 N2 -","- C24 H20 Bi2 Br6 N4 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0335","0.0273","","","0.0552","0.0574","","","","","","1.044","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703808","9.0736","0.0016","9.0994","0.0016","9.8812","0.0017","67.632","0.003","80.45","0.004","76.867","0.004","731.9","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Br3 N2 Sb -","- C12 H10 Br3 N2 Sb -","- C24 H20 Br6 N4 Sb2 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0184","0.0173","","","0.0443","0.0448","","","","","","1.066","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703809","9.1035","0.001","9.8191","0.0011","10.9715","0.0013","66.414","0.003","73.361","0.003","84.398","0.003","861","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 I3 N2 Sb -","- C12 H12 I3 N2 Sb -","- C24 H24 I6 N4 Sb2 -","2","1","","Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus","Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4904","4913","10.1039/d0dt00265h","","","0.71073","MoKα","","0.0318","0.024","","","0.0477","0.0508","","","","","","1.035","","","","has coordinates","251651","2020-10-21","18:00:00",""
"7703810","18.634","0.005","7.2576","0.0014","19.698","0.005","90","","117.131","0.01","90","","2370.8","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cl2 Ir N3 O -","- C24 H30 Cl2 Ir N3 O -","- C96 H120 Cl8 Ir4 N12 O4 -","4","1","","Mansour, Ahmed M.; Radacki, Krzysztof","Antimicrobial properties of half-sandwich Ir(iii) cyclopentadienyl complexes with pyridylbenzimidazole ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4491","4501","10.1039/d0dt00451k","","","0.71073","MoKα","","0.019","0.0177","","","0.0412","0.0418","","","","","","1.072","","","","has coordinates","251646","2020-10-21","18:00:00",""
"7703811","16.1669","0.0009","15.0455","0.0008","26.4547","0.0015","90","","99.286","0.0007","90","","6350.5","0.6","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H100 N4 Ni2 P2 -","- C60 H88 N4 Ni2 P2 -","- C240 H352 N16 Ni8 P8 -","4","0.5","","Macaulay, Casper M.; Samolia, Madhu; Ferguson, Michael J.; Sydora, Orson L.; Ess, Daniel H.; Stradiotto, Mark; Turculet, Laura","Synthetic investigations of low-coordinate (N-phosphino-amidinate) nickel chemistry: agostic alkyl complexes and benzene insertion into Ni-H.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4811","4816","10.1039/d0dt00527d","","","0.71073","MoKα","","0.0386","0.0314","","","0.0839","0.0894","","","","","","1.031","","","","has coordinates","251661","2020-10-21","18:00:00",""
"7703812","17.7217","0.0003","10.9584","0.0002","16.7015","0.0003","90","","103.483","0.0009","90","","3154.06","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H51 N2 Ni P -","- C32 H51 N2 Ni P -","- C128 H204 N8 Ni4 P4 -","4","1","","Macaulay, Casper M.; Samolia, Madhu; Ferguson, Michael J.; Sydora, Orson L.; Ess, Daniel H.; Stradiotto, Mark; Turculet, Laura","Synthetic investigations of low-coordinate (N-phosphino-amidinate) nickel chemistry: agostic alkyl complexes and benzene insertion into Ni-H.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4811","4816","10.1039/d0dt00527d","","","1.54178","CuKα","","0.0407","0.0347","","","0.0889","0.0937","","","","","","1.035","","","","has coordinates,has disorder","251661","2020-10-21","18:00:00",""
"7703813","22.242","0.005","15.656","0.004","38.588","0.008","90","","90","","90","","13437","5","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C96 H175.6 Ca4 Mn6 N O48.3 -","- C96 H175.6 Ca4 Mn6 N O48.3 -","- C384 H702.4 Ca16 Mn24 N4 O193.2 -","4","0.5","","Mousazade, Younes; Mohammadi, Mohammad Reza; Bagheri, Robabeh; Bikas, Rahman; Chernev, Petko; Song, Zhenlun; Lis, Tadeusz; Siczek, Milosz; Noshiranzadeh, Nader; Mebs, Stefan; Dau, Holger; Zaharieva, Ivelina; Najafpour, Mohammad Mahdi","A synthetic manganese-calcium cluster similar to the catalyst of Photosystem II: challenges for biomimetic water oxidation.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5597","5605","10.1039/d0dt00536c","","","0.71073","MoKα","","0.1216","0.0718","","","0.1477","0.1705","","","","","","1.07","","","","has coordinates,has disorder","252757","2020-10-21","18:00:00",""
"7703814","10.2242","0.0003","7.44722","0.00017","10.3407","0.0003","90","","115.904","0.004","90","","708.25","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Ba Cl Li O5 Te2 -","- Ba Cl Li O5 Te2 -","- Ba4 Cl4 Li4 O20 Te8 -","4","1","","Wang, Ting; Chen, Yi-Gang; Guo, Yao; Wang, Fang; Song, Qi; Jia, Ying-Jie; Zhang, Xian-Ming","BaLiTe<sub>2</sub>O<sub>5</sub>X (X = Cl, Br): mixed alkali/alkaline-earth metal tellurite halides with [Te<sub>2</sub>O<sub>5</sub>]<sub>∞</sub> chains.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4914","4919","10.1039/d0dt00141d","","x-ray","0.71","MoKα","","0.0207","0.0171","","","0.0327","0.0336","","","","","","1.12","","","","has coordinates","251667","2020-10-21","18:00:00",""
"7703815","6.91929","0.00013","12.7504","0.0003","9.7223","0.0002","90","","127.503","0.0017","90","","680.47","0.03","298","","298","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C12 Ga2 O8.72 -","- C12 Ga2 O8.723 -","- C24 Ga4 O17.446 -","2","0.5","","Rabe, Timo; Pewe, Harm; Reinsch, Helge; Willhammar, Tom; Svensson Grape, Erik; Stock, Norbert","Influence of the substitution pattern of four naphthalenedicarboxylic acids on the structures and properties of group 13 metal-organic frameworks and coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4861","4868","10.1039/d0dt00387e","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0264","2.26557","","","","","","","has coordinates","251660","2020-10-21","18:00:00",""
"7703816","17.0649","0.0015","6.7215","0.0003","10.0314","0.0003","90","","116.222","0.005","90","","1032.21","0.12","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 Ga O5 -","- C12 Ga O5 -","- C48 Ga4 O20 -","4","1","","Rabe, Timo; Pewe, Harm; Reinsch, Helge; Willhammar, Tom; Svensson Grape, Erik; Stock, Norbert","Influence of the substitution pattern of four naphthalenedicarboxylic acids on the structures and properties of group 13 metal-organic frameworks and coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4861","4868","10.1039/d0dt00387e","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0188","2.54892","","","","","","","has coordinates","251660","2020-10-21","18:00:00",""
"7703817","21.3392","0.0003","21.3392","0.0003","6.71422","0.00015","90","","90","","90","","3057.4","0.09","298","","298","","","","","","","","","3","P 42/n m c :2","-P 4ac 2a","137","","","","- C48 Ga4 O28 -","- C48 Ga4 O28 -","- C96 Ga8 O56 -","2","0.125","","Rabe, Timo; Pewe, Harm; Reinsch, Helge; Willhammar, Tom; Svensson Grape, Erik; Stock, Norbert","Influence of the substitution pattern of four naphthalenedicarboxylic acids on the structures and properties of group 13 metal-organic frameworks and coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4861","4868","10.1039/d0dt00387e","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0572","2.74312","","","","","","","has coordinates","251660","2020-10-21","18:00:00",""
"7703818","7.5927","0.0018","12.86","0.002","9.7151","0.0014","90","","135.335","0.008","90","","666.8","0.2","298","","298","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C12 Al2 O8.85 -","- C12 Al2 O8.854 -","- C24 Al4 O17.708 -","2","0.5","","Rabe, Timo; Pewe, Harm; Reinsch, Helge; Willhammar, Tom; Svensson Grape, Erik; Stock, Norbert","Influence of the substitution pattern of four naphthalenedicarboxylic acids on the structures and properties of group 13 metal-organic frameworks and coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4861","4868","10.1039/d0dt00387e","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0113","2.31117","","","","","","","has coordinates","251660","2020-10-21","18:00:00",""
"7703819","16.9726","0.0016","6.6331","0.0006","10.0413","0.0005","90","","116.505","0.009","90","","1011.64","0.16","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 Al O5 -","- C12 Al O5 -","- C48 Al4 O20 -","4","1","","Rabe, Timo; Pewe, Harm; Reinsch, Helge; Willhammar, Tom; Svensson Grape, Erik; Stock, Norbert","Influence of the substitution pattern of four naphthalenedicarboxylic acids on the structures and properties of group 13 metal-organic frameworks and coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4861","4868","10.1039/d0dt00387e","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0236","2.69344","","","","","","","has coordinates","251660","2020-10-21","18:00:00",""
"7703820","24.5518","0.0013","7.1261","0.0005","6.6983","0.0004","90","","104.225","0.006","90","","1135.99","0.12","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 Ga2 O10.12 -","- C24 Ga2 O10.124 -","- C48 Ga4 O20.248 -","2","0.25","","Rabe, Timo; Pewe, Harm; Reinsch, Helge; Willhammar, Tom; Svensson Grape, Erik; Stock, Norbert","Influence of the substitution pattern of four naphthalenedicarboxylic acids on the structures and properties of group 13 metal-organic frameworks and coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4861","4868","10.1039/d0dt00387e","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0181","3.83682","","","","","","","has coordinates","251660","2020-10-21","18:00:00",""
"7703821","11.05922","0.00016","11.05922","0.00016","30.7432","0.0007","90","","90","","90","","3760.09","0.12","180","0.1","180","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","trans-[FeCl2{(R,R)-Me-DuPhos}2]","","","- C36 H56 Cl2 Fe P4 -","- C36 H56 Cl2 Fe P4 -","- C144 H224 Cl8 Fe4 P16 -","4","0.5","","Estevan, Francisco; Feliz, Marta","Configurational landscape of chiral iron(ii) bis(phosphane) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4528","4538","10.1039/c9dt04821a","","","0.71073","MoKα","","0.0323","0.0266","","","0.0576","0.0604","","","","","","1.083","","","","has coordinates","251638","2020-10-21","18:00:00",""
"7703822","14.8107","0.0003","16.8676","0.0004","15.5365","0.0003","90","","90","","90","","3881.34","0.14","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[FeCl{(R,R)-Me-DuPhos}2](BF4)","","","- C36 H56 B Cl F4 Fe P4 -","- C36 H56 B Cl F4 Fe P4 -","- C144 H224 B4 Cl4 F16 Fe4 P16 -","4","1","","Estevan, Francisco; Feliz, Marta","Configurational landscape of chiral iron(ii) bis(phosphane) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4528","4538","10.1039/c9dt04821a","","x-ray","0.71073","MoKα","","0.0464","0.0425","","","0.1096","0.1142","","","","","","1.057","","","","has coordinates,has disorder","251638","2020-10-21","18:00:00",""
"7703823","11.3411","0.0003","20.8867","0.0004","17.3185","0.0003","90","","103.587","0.002","90","","3987.57","0.15","200","0.1","200","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","cappa-[FeI{(R,R)-Me-DuPhos}2]I2Â.H2O","","","- C36 H58 Fe I2 O P4 -","- C36 H58 Fe I2 O P4 -","- C144 H232 Fe4 I8 O4 P16 -","4","2","","Estevan, Francisco; Feliz, Marta","Configurational landscape of chiral iron(ii) bis(phosphane) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4528","4538","10.1039/c9dt04821a","","x-ray","0.71073","MoKα","","0.0235","0.0217","","","0.0531","0.0542","","","","","","1.025","","","","has coordinates,has disorder","251638","2020-10-21","18:00:00",""
"7703824","11.23747","0.00014","20.9195","0.0003","33.7258","0.0004","90","","90","","90","","7928.34","0.18","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","delta-[FeI{(S,S)-Me-DuPhos}2](ClO4)","","","- C36 H56 Cl Fe I O4 P4 -","- C36 H56 Cl Fe I O4 P4 -","- C288 H448 Cl8 Fe8 I8 O32 P32 -","8","2","","Estevan, Francisco; Feliz, Marta","Configurational landscape of chiral iron(ii) bis(phosphane) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4528","4538","10.1039/c9dt04821a","","x-ray","0.71073","MoKα","","0.0509","0.0397","","","0.1011","0.1098","","","","","","1.06","","","","has coordinates,has disorder","251638","2020-10-21","18:00:00",""
"7703825","17.0183","0.0005","17.0183","0.0005","17.0183","0.0005","90","","90","","90","","4928.9","0.3","100","0.2","100","0.2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C7 H4 N6 Zn -","- C7 H2 N6 Zn -","- C84 H24 N72 Zn12 -","12","0.25","","Li, Hai-Zhen; Du, Dong-Ying; Sun, Yayong; Wang, Fei; Zhang, Jian","Adjustment of the performance and stability of isostructural zeolitic tetrazolate-imidazolate frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4690","4693","10.1039/d0dt00791a","","x-ray","1.54184","CuKα","","0.0258","0.0256","","","0.0772","0.0777","","","","","","1.107","","","","has coordinates","251665","2020-10-21","18:00:00",""
"7703826","17.0156","0.0007","17.0156","0.0007","17.0156","0.0007","90","","90","","90","","4926.5","0.4","99.98","0.15","99.98","0.15","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C7 H4 N6 Zn -","- C6.5 H4 N6 Zn -","- C78 H48 N72 Zn12 -","12","0.25","","Li, Hai-Zhen; Du, Dong-Ying; Sun, Yayong; Wang, Fei; Zhang, Jian","Adjustment of the performance and stability of isostructural zeolitic tetrazolate-imidazolate frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4690","4693","10.1039/d0dt00791a","","x-ray","1.54184","CuKα","","0.0563","0.0544","","","0.1653","0.1661","","","","","","1.135","","","","has coordinates","251665","2020-10-21","18:00:00",""
"7703827","8.747","0.003","8.747","0.003","19.074","0.003","90","","90","","120","","1263.8","0.6","298","2","298","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C12 H10 Co0.58 Fe0.42 K N10 -","- C12 H9.9996 Co0.5761 Fe0.4238 K N9.9996 -","- C36 H29.9988 Co1.7283 Fe1.2714 K3 N29.9988 -","3","0.0833333","","Rok, Magdalena; Moskwa, Marcin; Pawlukojć, Andrzej; Janicki, Rafał; Zuba, Iga; Zieliński, Piotr; Sobieszczyk, Paweł; Bator, Grażyna","Phase transition tuning by Fe(iii)/Co(iii) substitution in switchable cyano-bridged perovskites: (C<sub>3</sub>H<sub>5</sub>N<sub>2</sub>)<sub>2</sub>[KFe<sub>x</sub>Co<sub>1-x</sub>(CN)<sub>6</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5503","5512","10.1039/d0dt00615g","","","0.71073","MoKα","","0.0378","0.0366","","","0.0959","0.0977","","","","","","1.101","","","","has coordinates,has disorder","252764","2020-10-21","18:00:00",""
"7703828","8.763","0.002","8.763","0.002","18.8","0.004","90","","90","","120","","1250.2","0.5","170","2","170","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H10 Co0.58 Fe0.42 K N10 -","- C12 H9.9996 Co0.5761 Fe0.4239 K N9.9996 -","- C36 H29.9988 Co1.7283 Fe1.2717 K3 N29.9988 -","3","0.166667","","Rok, Magdalena; Moskwa, Marcin; Pawlukojć, Andrzej; Janicki, Rafał; Zuba, Iga; Zieliński, Piotr; Sobieszczyk, Paweł; Bator, Grażyna","Phase transition tuning by Fe(iii)/Co(iii) substitution in switchable cyano-bridged perovskites: (C<sub>3</sub>H<sub>5</sub>N<sub>2</sub>)<sub>2</sub>[KFe<sub>x</sub>Co<sub>1-x</sub>(CN)<sub>6</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5503","5512","10.1039/d0dt00615g","","","0.71073","MoKα","","0.0523","0.0521","","","0.1353","0.1354","","","","","","1.312","","","","has coordinates,has disorder","252764","2020-10-21","18:00:00",""
"7703829","15.089","0.002","8.773","0.003","13.454","0.002","90","","111.74","0.03","90","","1654.3","0.7","100","2","100","2","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","","- C12 H10 Co0.57 Fe0.43 K N10 -","- C12 H10 Co0.5761 Fe0.4239 K N10 -","- C48 H40 Co2.3044 Fe1.6956 K4 N40 -","4","0.5","","Rok, Magdalena; Moskwa, Marcin; Pawlukojć, Andrzej; Janicki, Rafał; Zuba, Iga; Zieliński, Piotr; Sobieszczyk, Paweł; Bator, Grażyna","Phase transition tuning by Fe(iii)/Co(iii) substitution in switchable cyano-bridged perovskites: (C<sub>3</sub>H<sub>5</sub>N<sub>2</sub>)<sub>2</sub>[KFe<sub>x</sub>Co<sub>1-x</sub>(CN)<sub>6</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5503","5512","10.1039/d0dt00615g","","","0.71073","MoKα","","0.0556","0.0513","","","0.1362","0.1407","","","","","","1.122","","","","has coordinates","252764","2020-10-21","18:00:00",""
"7703830","11.473","0.009","12.935","0.01","16.291","0.013","68.059","0.01","74.282","0.01","84.609","0.01","2159","3","296.15","","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H34 Cl3 Ir N3 O3 P S2 -","- C48 H34 Cl3 Ir N3 O3 P S2 -","- C96 H68 Cl6 Ir2 N6 O6 P2 S4 -","2","1","","Liu, Zhao; Xu, Yanmin; Yue, Ling; Li, Ming; Yang, Xiaolong; Sun, Yuanhui; Yan, Lihe; Zhou, Guijiang","Iridium(iii) complexes with the dithieno[3,2-b:2',3'-d]phosphole oxide group and their high optical power limiting performances.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4967","4976","10.1039/d0dt00102c","","","0.71073","MoKα","","0.0893","0.0598","","","0.1391","0.158","","","","","","1.011","","","","has coordinates","251649","2020-10-21","18:00:00",""
"7703831","19.85","0.004","9.268","0.0019","14.146","0.003","90","","90","","90","","2602.4","0.9","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H33 Co N2 O12.5 -","- C23 H33 Co N2 O12.5 -","- C92 H132 Co4 N8 O50 -","4","1","","Chahine, Ali Y.; Phonsri, Wasinee; Murray, Keith S.; Turner, David R.; Batten, Stuart R.","Coordination polymers of a bis-isophthalate bridging ligand with single molecule magnet behaviour of the Co<sup>II</sup> analogue.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5241","5249","10.1039/c9dt04606b","","","0.71075","Synchrotron","","0.0491","0.0398","","","0.0924","0.097","","","","","","1.092","","","","has coordinates,has disorder","251622","2020-10-21","18:00:00",""
"7703832","19.8716","0.0004","9.3173","0.0002","14.114","0.0004","90","","90","","90","","2613.2","0.11","123","0.13","123","0.13","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H33 N2 O12.5 Zn -","- C23 H33 N2 O12.5 Zn -","- C92 H132 N8 O50 Zn4 -","4","1","","Chahine, Ali Y.; Phonsri, Wasinee; Murray, Keith S.; Turner, David R.; Batten, Stuart R.","Coordination polymers of a bis-isophthalate bridging ligand with single molecule magnet behaviour of the Co<sup>II</sup> analogue.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5241","5249","10.1039/c9dt04606b","","x-ray","1.54184","CuKα","","0.0671","0.0586","","","0.1481","0.1551","","","","","","1.091","","","","has coordinates","251622","2020-10-21","18:00:00",""
"7703833","20.457","0.0003","9.32","0.0002","14.195","0.0002","90","","90","","90","","2706.41","0.08","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H33 Cd N2 O12.5 -","- C23 H28 Cd N2 O11 -","- C92 H112 Cd4 N8 O44 -","4","1","","Chahine, Ali Y.; Phonsri, Wasinee; Murray, Keith S.; Turner, David R.; Batten, Stuart R.","Coordination polymers of a bis-isophthalate bridging ligand with single molecule magnet behaviour of the Co<sup>II</sup> analogue.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5241","5249","10.1039/c9dt04606b","","","0.7109","Synchrotron","","0.0333","0.0329","","","0.0892","0.0896","","","","","","1.066","","","","has coordinates,has disorder","251622","2020-10-21","18:00:00",""
"7703834","8.1599","0.0002","10.2806","0.0002","18.7575","0.0005","82.534","0.001","83.468","0.001","84.872","0.001","1545.62","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H47 Cd N3 O17 -","- C23 H28 Cd N2 O10 -","- C46 H56 Cd2 N4 O20 -","2","1","","Chahine, Ali Y.; Phonsri, Wasinee; Murray, Keith S.; Turner, David R.; Batten, Stuart R.","Coordination polymers of a bis-isophthalate bridging ligand with single molecule magnet behaviour of the Co<sup>II</sup> analogue.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5241","5249","10.1039/c9dt04606b","","","0.71073","MoKα","","0.0292","0.0263","","","0.0702","0.0757","","","","","","1.083","","","","has coordinates,has disorder","287902","2023-11-30","17:30:53",""
"7703835","9.6056","0.0016","15.424","0.003","16.78","0.003","95.434","0.007","106.266","0.007","91.765","0.009","2371.6","0.7","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H46 La2 N3 O15 P3 -","- C22 H46 La2 N3 O15 P3 -","- C44 H92 La4 N6 O30 P6 -","2","1","","Levenson, Daniel A.; Zhang, Jinfeng; Gelfand, Benjamin S.; Kammampata, Sanoop P.; Thangadurai, Venkataraman; Shimizu, George K. H.","Particle size dependence of proton conduction in a cationic lanthanum phosphonate MOF.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4022","4029","10.1039/c9dt04229f","","","0.71073","MoKα","","0.0768","0.0494","","","0.1156","0.1272","","","","","","0.968","","","","has coordinates","250288","2020-10-21","18:00:00",""
"7703836","8.5576","0.0001","14.0902","0.0001","13.4262","0.0001","90","","99.307","0.001","90","","1597.6","0.03","150","0.1","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 S2 Si -","- C16 H20 S2 Si -","- C64 H80 S8 Si4 -","4","1","","Azpeitia, S.; Martínez-Martínez, A J; Garralda, M. A.; Weller, A. S.; Huertos, M. A.","Si-C(sp<sup>3</sup>) bond activation through oxidative addition at a Rh(i) centre.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5416","5419","10.1039/d0dt00725k","","","1.54184","CuKα","","0.0257","0.0243","","","0.0625","0.0636","","","","","","1.044","","","","has coordinates","252754","2020-10-21","18:00:00",""
"7703837","26.2033","0.0002","12.75","0.0001","38.5848","0.0003","90","","105.003","0.001","90","","12451.5","0.18","150.01","0.14","150.01","0.14","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C57 H44 B Cl4 F24 Rh S2 Si -","- C57 H44 B Cl4 F24 Rh S2 Si -","- C456 H352 B8 Cl32 F192 Rh8 S16 Si8 -","8","1","","Azpeitia, S.; Martínez-Martínez, A J; Garralda, M. A.; Weller, A. S.; Huertos, M. A.","Si-C(sp<sup>3</sup>) bond activation through oxidative addition at a Rh(i) centre.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5416","5419","10.1039/d0dt00725k","","x-ray","1.54184","CuKα","","0.0326","0.0306","","","0.0811","0.0829","","","","","","1.025","","","","has coordinates,has disorder","252754","2020-10-21","18:00:00",""
"7703838","12.4418","0.0003","12.9564","0.0003","20.2172","0.0006","99.872","0.002","101.171","0.002","97.292","0.002","3106.4","0.14","150","0.16","150","0.16","","","","","","","","8","P -1","-P 1","2","","","","- C57 H46 B Cl2 F24 Rh S2 Si -","- C57 H46 B Cl2 F24 Rh S2 Si -","- C114 H92 B2 Cl4 F48 Rh2 S4 Si2 -","2","1","","Azpeitia, S.; Martínez-Martínez, A J; Garralda, M. A.; Weller, A. S.; Huertos, M. A.","Si-C(sp<sup>3</sup>) bond activation through oxidative addition at a Rh(i) centre.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5416","5419","10.1039/d0dt00725k","","x-ray","1.54184","CuKα","","0.0532","0.0464","","","0.1202","0.1265","","","","","","1.02","","","","has coordinates,has disorder","252754","2020-10-21","18:00:00",""
"7703839","13.0258","0.0004","14.6748","0.0005","16.5971","0.0006","64.937","0.003","82.448","0.003","74.53","0.003","2769.1","0.18","150.01","0.1","150.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C52 H38 B F24 N2 Rh S2 Si -","- C52 H38 B F24 N2 Rh S2 Si -","- C104 H76 B2 F48 N4 Rh2 S4 Si2 -","2","1","","Azpeitia, S.; Martínez-Martínez, A J; Garralda, M. A.; Weller, A. S.; Huertos, M. A.","Si-C(sp<sup>3</sup>) bond activation through oxidative addition at a Rh(i) centre.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5416","5419","10.1039/d0dt00725k","","x-ray","1.54184","CuKα","","0.0593","0.0546","","","0.1486","0.1536","","","","","","1.036","","","","has coordinates,has disorder","252754","2020-10-21","18:00:00",""
"7703840","14.31","0.004","14.8","0.004","7.2165","0.0018","90","","102.584","0.008","90","","1491.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 Cu N2 O6 -","- C28 H44 Cu N2 O6 -","- C56 H88 Cu2 N4 O12 -","2","0.5","","Nesterova, Oksana V.; Bondarenko, Olena E.; Pombeiro, Armando J. L.; Nesterov, Dmytro S.","Phenoxazinone synthase-like catalytic activity of novel mono- and tetranuclear copper(ii) complexes with 2-benzylaminoethanol.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4710","4724","10.1039/d0dt00222d","","","0.71073","MoKα","","0.1645","0.0679","","","0.154","0.2069","","","","","","1.049","","","","has coordinates,has disorder","251654","2020-10-21","18:00:00",""
"7703841","7.5254","0.0016","7.7391","0.0015","22.763","0.005","90","","90","","90","","1325.7","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H9 N O -","- C7 H9 N O -","- C56 H72 N8 O8 -","8","1","","Nesterova, Oksana V.; Bondarenko, Olena E.; Pombeiro, Armando J. L.; Nesterov, Dmytro S.","Phenoxazinone synthase-like catalytic activity of novel mono- and tetranuclear copper(ii) complexes with 2-benzylaminoethanol.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4710","4724","10.1039/d0dt00222d","","","0.71073","MoKα","","0.0553","0.0412","","","0.1067","0.1177","","","","","","1.03","","","","has coordinates","251654","2020-10-21","18:00:00",""
"7703842","7.0928","0.0016","15.026","0.004","16.003","0.004","90","","92.895","0.009","90","","1703.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Cu N2 O6 -","- C36 H40 Cu N2 O6 -","- C72 H80 Cu2 N4 O12 -","2","0.5","","Nesterova, Oksana V.; Bondarenko, Olena E.; Pombeiro, Armando J. L.; Nesterov, Dmytro S.","Phenoxazinone synthase-like catalytic activity of novel mono- and tetranuclear copper(ii) complexes with 2-benzylaminoethanol.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4710","4724","10.1039/d0dt00222d","","","0.71073","MoKα","","0.0538","0.0408","","","0.106","0.1134","","","","","","1.07","","","","has coordinates","251654","2020-10-21","18:00:00",""
"7703843","17.161","0.005","18.613","0.005","19.954","0.006","87.895","0.01","84.097","0.01","83.089","0.01","6292","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H84 Cu4 N4 O13 -","- C56 H84 Cu4 N4 O13 -","- C224 H336 Cu16 N16 O52 -","4","2","","Nesterova, Oksana V.; Bondarenko, Olena E.; Pombeiro, Armando J. L.; Nesterov, Dmytro S.","Phenoxazinone synthase-like catalytic activity of novel mono- and tetranuclear copper(ii) complexes with 2-benzylaminoethanol.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4710","4724","10.1039/d0dt00222d","","","0.71073","MoKα","","0.114","0.0665","","","0.1733","0.2002","","","","","","1.135","","","","has coordinates,has disorder","251654","2020-10-21","18:00:00",""
"7703844","7.0962","0.0007","7.1676","0.0007","10.1546","0.0016","71.083","0.011","74.381","0.011","89.881","0.008","468.49","0.11","200.05","0.1","200.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Fe N8 Pd -","- C20 H12 Fe N8 Pd -","- C20 H12 Fe N8 Pd -","1","0.5","","Hiiuk, Volodymyr M.; Shova, Sergiu; Rotaru, Aurelian; Golub, Alexander A.; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin crossover in 2D iron(ii) phthalazine cyanometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5302","5311","10.1039/d0dt00783h","","x-ray","0.71073","MoKα","","0.0699","0.0558","","","0.1287","0.1362","","","","","","1.022","","","","has coordinates","251616","2020-10-21","18:00:00",""
"7703845","7.2754","0.0008","7.4315","0.0009","10.3903","0.0014","72.23","0.011","70.501","0.011","89.988","0.01","501.04","0.12","260","1","260","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Fe N8 Pt -","- C20 H12 Fe N8 Pt -","- C20 H12 Fe N8 Pt -","1","0.5","","Hiiuk, Volodymyr M.; Shova, Sergiu; Rotaru, Aurelian; Golub, Alexander A.; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin crossover in 2D iron(ii) phthalazine cyanometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5302","5311","10.1039/d0dt00783h","","x-ray","0.71073","MoKα","","0.0557","0.0546","","","0.1052","0.1071","","","","","","1.048","","","","has coordinates","251616","2020-10-21","18:00:00",""
"7703846","7.2433","0.0004","7.4455","0.0004","10.4263","0.0009","71.858","0.006","69.586","0.006","89.943","0.005","497.11","0.06","260","","260","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Fe N8 Pd -","- C20 H12 Fe N8 Pd -","- C20 H12 Fe N8 Pd -","1","0.5","","Hiiuk, Volodymyr M.; Shova, Sergiu; Rotaru, Aurelian; Golub, Alexander A.; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin crossover in 2D iron(ii) phthalazine cyanometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5302","5311","10.1039/d0dt00783h","","","0.71073","MoKα","","0.0444","0.0417","","","0.1113","0.1134","","","","","","1.141","","","","has coordinates","251616","2020-10-21","18:00:00",""
"7703847","7.1262","0.0005","7.1724","0.0005","10.1727","0.0008","71.02","0.007","75.175","0.006","89.95","0.006","473.38","0.07","200","0.14","200","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Fe N8 Pt -","- C20 H12 Fe N8 Pt -","- C20 H12 Fe N8 Pt -","1","0.5","","Hiiuk, Volodymyr M.; Shova, Sergiu; Rotaru, Aurelian; Golub, Alexander A.; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin crossover in 2D iron(ii) phthalazine cyanometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5302","5311","10.1039/d0dt00783h","","x-ray","0.71073","MoKα","","0.0371","0.0366","","","0.0765","0.0771","","","","","","1.052","","","","has coordinates","251616","2020-10-21","18:00:00",""
"7703848","11.6631","0.0002","19.2898","0.0002","20.1981","0.0002","90","","93.545","0.001","90","","4535.45","0.1","123.15","","123.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H31 Eu F18 N2 O8 P2 -","- C33 H31 Eu F18 N2 O8 P2 -","- C132 H124 Eu4 F72 N8 O32 P8 -","4","2","","Tsurui, Makoto; Kitagawa, Yuichi; Fushimi, Koji; Gon, Masayuki; Tanaka, Kazuo; Hasegawa, Yasuchika","Electronic strain effect on Eu(iii) complexes for enhanced circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5352","5361","10.1039/d0dt00699h","","x-ray","0.71073","MoKα","","0.0548","0.0439","","","0.1127","0.1177","","","","","","1.053","","","","has coordinates,has disorder","251630","2020-10-21","18:00:00",""
"7703849","11.6565","0.0002","19.2883","0.0003","20.1991","0.0003","90","","93.463","0.001","90","","4533.15","0.12","123.15","","123.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H31 F18 Gd N2 O8 P2 -","- C33 H31 F18 Gd N2 O8 P2 -","- C132 H124 F72 Gd4 N8 O32 P8 -","4","2","","Tsurui, Makoto; Kitagawa, Yuichi; Fushimi, Koji; Gon, Masayuki; Tanaka, Kazuo; Hasegawa, Yasuchika","Electronic strain effect on Eu(iii) complexes for enhanced circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5352","5361","10.1039/d0dt00699h","","","0.71073","MoKα","","0.0432","0.0395","","","0.1039","0.107","","","","","","1.031","","","","has coordinates,has disorder","251630","2020-10-21","18:00:00",""
"7703850","11.6679","0.0003","19.2967","0.0004","20.2075","0.0004","90","","93.568","0.002","90","","4540.94","0.18","123.15","","123.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H31 Eu F18 N2 O8 P2 -","- C32.6845 H31 Eu F18 N2 O8 P2 -","- C130.738 H124 Eu4 F72 N8 O32 P8 -","4","2","","Tsurui, Makoto; Kitagawa, Yuichi; Fushimi, Koji; Gon, Masayuki; Tanaka, Kazuo; Hasegawa, Yasuchika","Electronic strain effect on Eu(iii) complexes for enhanced circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5352","5361","10.1039/d0dt00699h","","x-ray","0.71073","MoKα","","0.0485","0.0418","","","0.1102","0.1142","","","","","","1.042","","","","has coordinates,has disorder","251630","2020-10-21","18:00:00",""
"7703851","11.1654","0.0001","20.571","0.0002","20.3672","0.0002","90","","99.695","0.001","90","","4611.2","0.08","123.15","","123.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H37 F18 Gd N2 O8 P2 -","- C36 H37 F18 Gd N2 O8 P2 -","- C144 H148 F72 Gd4 N8 O32 P8 -","4","2","","Tsurui, Makoto; Kitagawa, Yuichi; Fushimi, Koji; Gon, Masayuki; Tanaka, Kazuo; Hasegawa, Yasuchika","Electronic strain effect on Eu(iii) complexes for enhanced circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5352","5361","10.1039/d0dt00699h","","","0.71073","MoKα","","0.0229","0.0212","","","0.0505","0.0512","","","","","","1.026","","","","has coordinates,has disorder","251630","2020-10-21","18:00:00",""
"7703852","11.202","0.0002","20.6003","0.0003","20.384","0.0004","90","","99.687","0.002","90","","4636.83","0.14","123.15","","123.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H37 Eu F18 N2 O8 P2 -","- C36 H37.5 Eu F18 N2 O8 P2 -","- C144 H150 Eu4 F72 N8 O32 P8 -","4","2","","Tsurui, Makoto; Kitagawa, Yuichi; Fushimi, Koji; Gon, Masayuki; Tanaka, Kazuo; Hasegawa, Yasuchika","Electronic strain effect on Eu(iii) complexes for enhanced circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5352","5361","10.1039/d0dt00699h","","","0.71073","MoKα","","0.0358","0.0303","","","0.0691","0.0711","","","","","","1.033","","","","has coordinates,has disorder","251630","2020-10-21","18:00:00",""
"7703853","11.1904","0.0001","20.5895","0.0002","20.3663","0.0002","90","","99.79","0.001","90","","4624.16","0.08","123.15","","123.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H37 Eu F18 N2 O8 P2 -","- C36 H37 Eu F18 N2 O8 P2 -","- C144 H148 Eu4 F72 N8 O32 P8 -","4","2","","Tsurui, Makoto; Kitagawa, Yuichi; Fushimi, Koji; Gon, Masayuki; Tanaka, Kazuo; Hasegawa, Yasuchika","Electronic strain effect on Eu(iii) complexes for enhanced circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5352","5361","10.1039/d0dt00699h","","","0.71073","MoKα","","0.0272","0.024","","","0.0563","0.0572","","","","","","1.031","","","","has coordinates,has disorder","251630","2020-10-21","18:00:00",""
"7703854","27.367","0.004","7.1959","0.0007","12.6155","0.001","90","","98.721","0.01","90","","2455.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- B34 H8 K6 Na4 O60 -","- B34 H8 K6 Na4 O60 -","- B68 H16 K12 Na8 O120 -","2","0.25","","Qin, Dan; Zhang, Tian-Jiao; Ma, Cheng-Bing; Yang, Guo-Yu","Two novel 3D borates: porous-layer and layer-pillar frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3824","3829","10.1039/c9dt03867a","","","0.71073","MoKα","","0.0497","0.0415","","","0.1223","0.1277","","","","","","1.068","","","","has coordinates","249694","2020-10-21","18:00:00",""
"7703855","9.962","0.0008","8.4251","0.0007","26.509","0.002","90","","93.982","0.007","90","","2219.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Al4 B26 H8 Na14 O56 -","- Al4 B26 H8 Na14 O56 -","- Al8 B52 H16 Na28 O112 -","2","0.25","","Qin, Dan; Zhang, Tian-Jiao; Ma, Cheng-Bing; Yang, Guo-Yu","Two novel 3D borates: porous-layer and layer-pillar frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3824","3829","10.1039/c9dt03867a","","","0.71073","MoKα","","0.0343","0.0278","","","0.0698","0.0729","","","","","","1.059","","","","has coordinates","249694","2020-10-21","18:00:00",""
"7703856","11.0834","0.0004","13.298","0.0004","18.3364","0.0007","90","","94.584","0.001","90","","2693.9","0.16","233","2","232.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H62 Br4 Co4 N4 -","- C56 H62 Br4 Co4 N4 -","- C112 H124 Br8 Co8 N8 -","2","0.5","","Huang, Li-Cheng; Zhang, Jing-Shun; Jia, Teng; Mu, Ying; Gao, Wei","Bis(imino)aryl NCN pincer cobalt complexes: synthesis and disproportionation.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5219","5227","10.1039/d0dt00747a","","","0.71073","MoKα","","0.0504","0.042","","","0.1052","0.1108","","","","","","1.053","","","","has coordinates","251623","2020-10-21","18:00:00",""
"7703857","11.4966","0.0012","13.3441","0.0013","22.168","0.002","76.217","0.002","82.452","0.002","76.299","0.002","3198.8","0.5","184","2","184.65","","","","","","","","","5","P -1","-P 1","2","","","","- C67 H87 Co N4 P -","- C67 H87 Co N4 P -","- C134 H174 Co2 N8 P2 -","2","1","","Huang, Li-Cheng; Zhang, Jing-Shun; Jia, Teng; Mu, Ying; Gao, Wei","Bis(imino)aryl NCN pincer cobalt complexes: synthesis and disproportionation.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5219","5227","10.1039/d0dt00747a","","","0.71073","MoKα","","0.177","0.0883","","","0.1881","0.2371","","","","","","1.004","","","","has coordinates","251623","2020-10-21","18:00:00",""
"7703858","16.5905","0.0007","23.4842","0.001","15.8812","0.0006","90","","90","","90","","6187.5","0.4","200","2","200","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H41 Br Co N2 P2 -","- C30 H41 Br Co N2 P2 -","- C240 H328 Br8 Co8 N16 P16 -","8","1","","Huang, Li-Cheng; Zhang, Jing-Shun; Jia, Teng; Mu, Ying; Gao, Wei","Bis(imino)aryl NCN pincer cobalt complexes: synthesis and disproportionation.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5219","5227","10.1039/d0dt00747a","","","0.71073","MoKα","","0.0704","0.0657","","","0.2125","0.2196","","","","","","1.105","","","","has coordinates","251623","2020-10-21","18:00:00",""
"7703859","21.7144","0.0007","21.179","0.0007","10.5333","0.0003","90","","90","","90","","4844.2","0.3","296","2","296.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C48 H71 Br2 Co Li N2 O4 -","- C48 H71 Br2 Co Li N2 O4 -","- C192 H284 Br8 Co4 Li4 N8 O16 -","4","0.5","","Huang, Li-Cheng; Zhang, Jing-Shun; Jia, Teng; Mu, Ying; Gao, Wei","Bis(imino)aryl NCN pincer cobalt complexes: synthesis and disproportionation.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5219","5227","10.1039/d0dt00747a","","","0.71073","MoKα","","0.0815","0.0486","","","0.1157","0.1333","","","","","","1.063","","","","has coordinates","251623","2020-10-21","18:00:00",""
"7703860","11.2848","0.0007","13.9972","0.0009","18.1516","0.0012","101.351","0.001","105.326","0.001","109.046","0.001","2484.6","0.3","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H71 Cl3 Co2 Li N2 O4 -","- C48 H71 Cl3 Co2 Li N2 O4 -","- C96 H142 Cl6 Co4 Li2 N4 O8 -","2","1","","Huang, Li-Cheng; Zhang, Jing-Shun; Jia, Teng; Mu, Ying; Gao, Wei","Bis(imino)aryl NCN pincer cobalt complexes: synthesis and disproportionation.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5219","5227","10.1039/d0dt00747a","","","0.71073","MoKα","","0.0605","0.0413","","","0.0969","0.107","","","","","","1.018","","","","has coordinates","251623","2020-10-21","18:00:00",""
"7703861","11.4692","0.0008","15.6632","0.0011","21.5144","0.0015","70.367","0.001","80.862","0.001","69.885","0.001","3414.1","0.4","184","2","184.65","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H78 Br0.6 Cl3.41 Co3 N4 -","- C64 H78 Br0.604 Cl3.396 Co3 N4 -","- C128 H156 Br1.208 Cl6.792 Co6 N8 -","2","1","","Huang, Li-Cheng; Zhang, Jing-Shun; Jia, Teng; Mu, Ying; Gao, Wei","Bis(imino)aryl NCN pincer cobalt complexes: synthesis and disproportionation.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5219","5227","10.1039/d0dt00747a","","","0.71073","MoKα","","0.0614","0.0431","","","0.1126","0.1286","","","","","","0.981","","","","has coordinates,has disorder","251623","2020-10-21","18:00:00",""
"7703862","14.969","0.005","16.001","0.005","19.069","0.006","91.88","0.005","109.446","0.006","110.618","0.005","3972","2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H53 Cl2 N O3 Si2 W -","- C39 H53 Cl2 N O3 Si2 W -","- C156 H212 Cl8 N4 O12 Si8 W4 -","4","2","","Muraoka, Takako; Tsuchimoto, Masato; Ueno, Keiji","Synthesis, structure, and reactivity of a pyridine-stabilized silanonetungsten complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5100","5107","10.1039/d0dt00497a","","","0.71073","MoKα","","0.0401","0.0336","","","0.0903","0.0925","","","","","","1.01","","","","has coordinates,has disorder","251625","2020-10-21","18:00:00",""
"7703863","41.02","0.005","10.8934","0.0011","16.974","0.0019","90","","107.113","0.002","90","","7249","1.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H55 O2 P Si2 W -","- C35 H55 O2 P Si2 W -","- C280 H440 O16 P8 Si16 W8 -","8","1","","Muraoka, Takako; Tsuchimoto, Masato; Ueno, Keiji","Synthesis, structure, and reactivity of a pyridine-stabilized silanonetungsten complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5100","5107","10.1039/d0dt00497a","","","0.71073","MoKα","","0.0273","0.0256","","","0.0692","0.0696","","","","","","1.159","","","","has coordinates","251625","2020-10-21","18:00:00",""
"7703864","28.087","0.002","28.087","0.002","9.4238","0.0007","90","","90","","90","","7434.2","0.9","120","2","120","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C36 H55 O3 P Si2 W -","- C36 H55 O3 P Si2 W -","- C288 H440 O24 P8 Si16 W8 -","8","1","","Muraoka, Takako; Tsuchimoto, Masato; Ueno, Keiji","Synthesis, structure, and reactivity of a pyridine-stabilized silanonetungsten complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5100","5107","10.1039/d0dt00497a","","","0.71073","MoKα","","0.036","0.0289","","","0.0636","0.0654","","","","","","0.982","","","","has coordinates","251625","2020-10-21","18:00:00",""
"7703865","7.8767","0.0004","10.0877","0.0005","10.6978","0.0005","105.23","0.004","107.161","0.004","102.068","0.004","744.83","0.07","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","dimethyl 2-iodo-[1,1'-biphenyl]-4,4'-dicarboxylate","","- C16 H13 I O4 -","- C16 H13 I O4 -","- C32 H26 I2 O8 -","2","1","","Bryant, Macguire R.; Richardson, Christopher","Hypervalent organoiodine(v) metal-organic frameworks: syntheses, thermal studies and stoichiometric oxidants.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5167","5174","10.1039/d0dt00870b","","x-ray","0.71073","MoKα","","0.0217","0.0197","","","0.0527","0.0533","","","","","","1.043","","","","has coordinates","251620","2020-10-21","18:00:00",""
"7703866","8.19869","0.00018","8.27594","0.00019","13.9191","0.0002","86.9929","0.0016","74.1903","0.0017","69.153","0.002","848.18","0.03","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","2-iodo-[1,1'-biphenyl]-4,4'-dicarboxylic acid dimethylsulfoxide solvate","","- C16 H15 I O5 S -","- C16 H15 I O5 S -","- C32 H30 I2 O10 S2 -","2","1","","Bryant, Macguire R.; Richardson, Christopher","Hypervalent organoiodine(v) metal-organic frameworks: syntheses, thermal studies and stoichiometric oxidants.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5167","5174","10.1039/d0dt00870b","","x-ray","0.71073","MoKα","","0.0341","0.0262","","","0.064","0.0676","","","","","","1.039","","","","has coordinates,has disorder","251620","2020-10-21","18:00:00",""
"7703867","14.6757","0.0006","15.6115","0.0006","21.3053","0.0008","90","","109.233","0.002","90","","4608.8","0.3","180","","180","","","","","","","","synthetic","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H38 Cl2 Mo2 N6 O6 P2 -","- C43 H38 Cl2 Mo2 N6 O6 P2 -","- C172 H152 Cl8 Mo8 N24 O24 P8 -","4","1","","Hanf, Schirin; Colebatch, Annie L.; Stehr, Philipp; García-Rodríguez, Raúl; Hey-Hawkins, Evamarie; Wright, Dominic S.","An experimental and theoretical study of the coordination and donor properties of tris-2-pyridyl-phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5312","5322","10.1039/d0dt00609b","","","1.5418","CuKα","","0.0483","0.0378","","0.0813","0.0757","0.0813","","","","","","0.9133","","","","has coordinates","251629","2020-10-21","18:00:00",""
"7703868","10.4126","0.0003","22.0156","0.0005","10.8107","0.0003","90","","109.128","0.003","90","","2341.41","0.12","130","0.1","130","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 Mo N3 O5 P -","- C23 H18 Mo N3 O5 P -","- C92 H72 Mo4 N12 O20 P4 -","4","1","","Hanf, Schirin; Colebatch, Annie L.; Stehr, Philipp; García-Rodríguez, Raúl; Hey-Hawkins, Evamarie; Wright, Dominic S.","An experimental and theoretical study of the coordination and donor properties of tris-2-pyridyl-phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5312","5322","10.1039/d0dt00609b","","","0.71073","MoKα","","0.0463","0.0332","","","0.0649","0.0698","","","","","","1.028","","","","has coordinates","251629","2020-10-21","18:00:00",""
"7703869","10.5568","0.0003","14.7613","0.0005","15.457","0.0004","105.255","0.003","108.189","0.003","92.397","0.003","2187.43","0.13","130","0.14","130","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C20 H14 Cl2 N3 O4 P W -","- C20 H14 Cl2 N3 O4 P W -","- C80 H56 Cl8 N12 O16 P4 W4 -","4","2","","Hanf, Schirin; Colebatch, Annie L.; Stehr, Philipp; García-Rodríguez, Raúl; Hey-Hawkins, Evamarie; Wright, Dominic S.","An experimental and theoretical study of the coordination and donor properties of tris-2-pyridyl-phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5312","5322","10.1039/d0dt00609b","","","0.71073","MoKα","","0.0455","0.0281","","","0.0504","0.0551","","","","","","1.033","","","","has coordinates","251629","2020-10-21","18:00:00",""
"7703870","9.329","0.0003","14.1222","0.0005","14.9039","0.0006","90","","92.657","0.0013","90","","1961.42","0.12","180","","180","","","","","","","","synthetic","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Mo N3 O3 P -","- C21 H18 Mo N3 O3 P -","- C84 H72 Mo4 N12 O12 P4 -","4","1","","Hanf, Schirin; Colebatch, Annie L.; Stehr, Philipp; García-Rodríguez, Raúl; Hey-Hawkins, Evamarie; Wright, Dominic S.","An experimental and theoretical study of the coordination and donor properties of tris-2-pyridyl-phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5312","5322","10.1039/d0dt00609b","","","1.54178","CuKα","","0.0259","0.0231","","0.0593","0.0559","0.0593","","","","","","0.942","","","","has coordinates","251629","2020-10-21","18:00:00",""
"7703871","10.7277","0.0006","11.7959","0.0005","19.1179","0.0007","79.702","0.003","84.994","0.004","65.607","0.005","2167.54","0.19","130","0.14","130","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C34 H18 Br6 Mo N6 O4 P2 -","- C34 H18 Br6 Mo N6 O4 P2 -","- C68 H36 Br12 Mo2 N12 O8 P4 -","2","1","","Hanf, Schirin; Colebatch, Annie L.; Stehr, Philipp; García-Rodríguez, Raúl; Hey-Hawkins, Evamarie; Wright, Dominic S.","An experimental and theoretical study of the coordination and donor properties of tris-2-pyridyl-phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5312","5322","10.1039/d0dt00609b","","","0.71073","MoKα","","0.0788","0.0449","","","0.0961","0.1064","","","","","","1.032","","","","has coordinates,has disorder","251629","2020-10-21","18:00:00",""
"7703872","17.0942","0.0002","10.2626","0.0001","17.9547","0.0002","90","","90","","90","","3149.81","0.06","130","0.14","130","0.14","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H24 N6 O4 P2 W -","- C34 H24 N6 O4 P2 W -","- C136 H96 N24 O16 P8 W4 -","4","1","","Hanf, Schirin; Colebatch, Annie L.; Stehr, Philipp; García-Rodríguez, Raúl; Hey-Hawkins, Evamarie; Wright, Dominic S.","An experimental and theoretical study of the coordination and donor properties of tris-2-pyridyl-phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5312","5322","10.1039/d0dt00609b","","","0.71073","MoKα","","0.0203","0.0177","","","0.036","0.0369","","","","","","1.103","","","","has coordinates","251629","2020-10-21","18:00:00",""
"7703873","9.573","0.0007","11.5948","0.0007","5.1311","0.0004","90","","90","","90","","569.54","0.07","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F4 H8 N2 O8 S2 Sb2 -","- F4 H8 N2 O8 S2 Sb2 -","- F8 H16 N4 O16 S4 Sb4 -","2","0.5","","He, Fangfang; Ge, Yuwei; Zhao, Xiaoyu; He, Jing; Huang, Ling; Gao, Daojiang; Bi, Jian; Wang, Xin; Zou, Guohong","Two-stage evolution from phosphate to sulfate of new KTP-type family members as UV nonlinear optical materials through chemical cosubstitution-oriented design.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5276","5282","10.1039/d0dt00846j","","","0.71073","MoKα","","0.0261","0.0223","","","0.0537","0.0554","","","","","","1.005","","","","has coordinates","251614","2020-10-21","18:00:00",""
"7703874","6.5374","0.0004","6.5425","0.0005","8.3743","0.0006","68.272","0.003","68.966","0.003","89.938","0.004","306.95","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- F H6 N O5 P Sb -","- F H6 N O5 P Sb -","- F2 H12 N2 O10 P2 Sb2 -","2","1","","He, Fangfang; Ge, Yuwei; Zhao, Xiaoyu; He, Jing; Huang, Ling; Gao, Daojiang; Bi, Jian; Wang, Xin; Zou, Guohong","Two-stage evolution from phosphate to sulfate of new KTP-type family members as UV nonlinear optical materials through chemical cosubstitution-oriented design.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5276","5282","10.1039/d0dt00846j","","","0.71073","MoKα","","0.0396","0.0344","","","0.091","0.0948","","","","","","0.973","","","","has coordinates","251614","2020-10-21","18:00:00",""
"7703875","6.3803","0.0003","15.7214","0.0006","10.7123","0.0004","90","","92.886","0.001","90","","1073.16","0.08","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H8 Ba N6 O7 -","- C3 H8 Ba N6 O7 -","- C12 H32 Ba4 N24 O28 -","4","1","","Hao, Wenjia; Jin, Bo; Zhang, Jinhao; Li, Xiaoyi; Huang, Tao; Shen, Juan; Peng, Rufang","Novel energetic metal-organic frameworks assembled from the energetic combination of furazan and tetrazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6295","6301","10.1039/d0dt00862a","","","1.34139","GaKα","","0.0486","0.047","","","0.1192","0.1202","","","","","","1.171","","","","has coordinates","252771","2020-10-21","18:00:00",""
"7703876","12.7154","0.0007","4.4053","0.0002","14.5814","0.0009","90","","98.481","0.005","90","","807.85","0.08","200.01","0.1","200.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H4 N6 O5 Pb -","- C3 H4 N6 O5 Pb -","- C12 H16 N24 O20 Pb4 -","4","0.5","","Hao, Wenjia; Jin, Bo; Zhang, Jinhao; Li, Xiaoyi; Huang, Tao; Shen, Juan; Peng, Rufang","Novel energetic metal-organic frameworks assembled from the energetic combination of furazan and tetrazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6295","6301","10.1039/d0dt00862a","","x-ray","0.71073","MoKα","","0.0175","0.0174","","","0.0419","0.0421","","","","","","0.96","","","","has coordinates,has disorder","252771","2020-10-21","18:00:00",""
"7703877","7.7863","0.0001","25.6928","0.0001","11.0626","0.0001","90","","91.291","0.001","90","","2212.53","0.04","273","0.1","273","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Br4 Mn N2 -","- C16 H22 Br4 Mn N2 -","- C64 H88 Br16 Mn4 N8 -","4","1","","Gao, Wanru; Leng, Meiying; Hu, Zhixiang; Li, Junze; Li, Dehui; Liu, Huan; Gao, Liang; Niu, Guangda; Tang, Jiang","Reversible luminescent humidity chromism of organic-inorganic hybrid PEA<sub>2</sub>MnBr<sub>4</sub> single crystals.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5662","5668","10.1039/d0dt00514b","","x-ray","1.54184","CuKα","","0.0493","0.0468","","","0.1195","0.1214","","","","","","1.0236","","","","has coordinates","252755","2020-10-21","18:00:00",""
"7703878","13.2722","0.0005","13.4363","0.0005","15.3662","0.0007","81.307","0.002","74.676","0.002","77.317","0.002","2565.68","0.18","150","","150","","","","","","","","","5","P -1","-P 1","2","","[{Rh(CO)2(N3Dipp2)}2]","","- C52 H68 N6 O4 Rh2 -","- C52 H68 N6 O4 Rh2 -","- C104 H136 N12 O8 Rh4 -","2","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0709","0.0409","","","0.078","0.0891","","","","","","1.04","","","","has coordinates","252762","2020-10-21","18:00:00",""
"7703879","16.5557","0.0005","11.0635","0.0003","18.9451","0.0006","90","","104.915","0.001","90","","3353.15","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Li(OEt2)2(N3Dipp2)]","","- C32 H54 Li N3 O2 -","- C32 H54 Li N3 O2 -","- C128 H216 Li4 N12 O8 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0979","0.0613","","","0.1647","0.19","","","","","","1.03","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703880","17.0526","0.0008","8.8969","0.0003","18.8292","0.0008","90","","93.738","0.002","90","","2850.6","0.2","150.15","","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","[Rh(N3Dipp2)(COD)]","","- C32 H46 N3 Rh -","- C32 H46 N3 Rh -","- C128 H184 N12 Rh4 -","4","0.5","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0189","0.0186","","","0.0477","0.0479","","","","","","1.117","","","","has coordinates","252762","2020-10-21","18:00:00",""
"7703881","13.5047","0.0012","14.7204","0.0012","18.3174","0.0017","85.51","0.004","76.563","0.004","84.116","0.004","3517.5","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C71 H108 N7 O2 Rh2 -","- C71 H108 N7 O2 Rh2 -","- C142 H216 N14 O4 Rh4 -","2","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0823","0.0438","","","0.0897","0.1039","","","","","","1.021","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703882","10.5092","0.0006","11.2966","0.0006","14.1488","0.0007","93.648","0.002","102.187","0.002","113.466","0.002","1485.51","0.14","150","","150","","","","","","","","","4","P -1","-P 1","2","","[Rh(cod)(DippForm)]","","- C33 H47 N2 Rh -","- C33 H47 N2 Rh -","- C66 H94 N4 Rh2 -","2","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0686","0.046","","","0.1016","0.1134","","","","","","1.059","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703883","15.7881","0.0019","13.8759","0.0018","17.064","0.002","90","","90.921","0.005","90","","3737.8","0.8","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H60 N2 O Rh2 -","- C41 H60 N2 O Rh2 -","- C164 H240 N8 O4 Rh8 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0278","0.0237","","","0.0556","0.0581","","","","","","1.029","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703884","34.876","0.003","26.438","0.003","22.979","0.002","90","","115.098","0.005","90","","19187","3","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C81 H105 Cl Li N6 O6 Rh3 -","- C81 H105 Cl Li N6 O6 Rh3 -","- C648 H840 Cl8 Li8 N48 O48 Rh24 -","8","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0931","0.0589","","","0.1656","0.1918","","","","","","1.037","","","","has coordinates","252762","2020-10-21","18:00:00",""
"7703885","10.105","0.003","14.969","0.005","24.904","0.007","90","","99.173","0.016","90","","3719","2","150","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Na(THF)3(N3Dipp2)]","","- C36 H58 N3 Na O3 -","- C36 H58 N3 Na O3 -","- C144 H232 N12 Na4 O12 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.2305","0.0817","","","0.1968","0.2909","","","","","","0.892","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703886","18.8789","0.0009","18.6075","0.0009","19.515","0.0008","90","","111.063","0.002","90","","6397.4","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Li(THF)2(N3Dipp2)]","","- C32 H50 Li N3 O2 -","- C32 H50 Li N3 O2 -","- C256 H400 Li8 N24 O16 -","8","2","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.1352","0.0621","","","0.1548","0.1917","","","","","","1.034","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703887","8.978","0.0006","10.663","0.0009","21.8772","0.0019","80.65","0.004","85.194","0.004","79.586","0.004","2029.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","[K(18-crown-6)(N3Dipp2)]","","","- C39.5 H62 K N3 O6 -","- C39.5 H62 K N3 O6 -","- C79 H124 K2 N6 O12 -","2","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0879","0.049","","","0.1091","0.126","","","","","","1.042","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703888","20.0231","0.0015","10.9042","0.0008","33.135","0.003","90","","105.34","0.004","90","","6976.8","1","150","2","149.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Na(DME)2(N3Dipp2)]","","- C32 H54 N3 Na O4 -","- C32 H54 N3 Na O4 -","- C256 H432 N24 Na8 O32 -","8","2","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.2242","0.078","","","0.1772","0.2454","","","","","","0.978","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703889","14.2751","0.0005","15.4085","0.0005","16.3889","0.0006","90","","108.583","0.001","90","","3416.9","0.2","150","","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[K(DME)2(N3Dipp2)]","","","- C32 H54 K N3 O4 -","- C32 H54 K N3 O4 -","- C128 H216 K4 N12 O16 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0625","0.0422","","","0.0982","0.1088","","","","","","1.033","","","","has coordinates","252762","2020-10-21","18:00:00",""
"7703890","14.0109","0.0015","16.0444","0.0013","18.2255","0.0018","90","","86.298","0.004","90","","4088.5","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Na(N3Dipp2)(15-crown-5)]","","- C41 H62 N3 Na O5 -","- C41 H62 N3 Na O5 -","- C164 H248 N12 Na4 O20 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.2016","0.0703","","","0.138","0.1868","","","","","","0.96","","","","has coordinates","252762","2020-10-21","18:00:00",""
"7703891","13.1068","0.0009","14.9847","0.001","15.9757","0.0011","96.923","0.004","110.851","0.003","98.577","0.003","2847.7","0.3","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","[K(THF)1.5(N3Dipp2)]","","","- C57.5 H84 K2 N6 O1.5 -","- C57.5 H84 K2 N6 O1.5 -","- C115 H168 K4 N12 O3 -","2","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.1096","0.0612","","","0.1501","0.1725","","","","","","1.033","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703892","14.5014","0.0004","16.4263","0.0004","21.0903","0.0006","90","","109.584","0.003","90","","4733.2","0.2","112","2","112","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[InCl(N3Dipp2)2]","","- C48 H68 Cl In N6 -","- C48 H68 Cl In N6 -","- C192 H272 Cl4 In4 N24 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0385","0.0275","","","0.0613","0.0667","","","","","","1.049","","","","has coordinates","252762","2020-10-21","18:00:00",""
"7703893","13.5767","0.0005","20.2026","0.0007","35.6666","0.0011","90","","90","","90","","9782.8","0.6","180","","180.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[Tl(N3Dipp2)]2","","- C48 H68 N6 Tl2 -","- C48 H68 N6 Tl2 -","- C384 H544 N48 Tl16 -","8","2","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0671","0.0379","","","0.0554","0.0615","","","","","","1.023","","","","has coordinates","252762","2020-10-21","18:00:00",""
"7703894","14.375","0.003","16.586","0.003","21.259","0.004","90","","109.19","0.03","90","","4787","1.8","150","2","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[InI(N3Dipp2)2]","","- C48 H66 I In N6 -","- C48 H66 I In N6 -","- C192 H264 I4 In4 N24 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.1797","0.0905","","","0.2067","0.2658","","","","","","1.039","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703895","14.6502","0.0006","16.1245","0.0006","20.9328","0.0008","90","","110.465","0.002","90","","4632.8","0.3","150","2","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[GaH(N3Dipp2)2]","","- C48 H69 Ga N6 -","- C48 H69 Ga N6 -","- C192 H276 Ga4 N24 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0805","0.0571","","","0.1535","0.1675","","","","","","1.046","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703896","10.764","0.003","11.169","0.003","12.729","0.005","96.76","0.017","114.864","0.01","105.707","0.012","1288.8","0.7","150","","150.15","","","","","","","","","5","P -1","-P 1","2","","[GaI(N3Dipp2)]2","","- C48 H68 Ga2 I2 N6 -","- C48 H68 Ga2 I2 N6 -","- C48 H68 Ga2 I2 N6 -","1","0.5","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.1809","0.089","","","0.2015","0.2382","","","","","","1.06","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703897","14.315","0.003","16.444","0.003","21.068","0.004","90","","109.614","0.009","90","","4671.6","1.6","150","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[GaCl(N3Dipp2)2]","","- C48 H68 Cl Ga N6 -","- C48 H68 Cl Ga N6 -","- C192 H272 Cl4 Ga4 N24 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.1154","0.0544","","","0.1134","0.1359","","","","","","1.021","","","","has coordinates","252762","2020-10-21","18:00:00",""
"7703898","10.2807","0.0004","10.9865","0.0004","14.6713","0.0005","70.88","0.0011","79.7465","0.0013","74.6877","0.0015","1502.48","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","[(Piso)Rh(CO)2]","","- C31 H43 N2 O2 Rh -","- C31 H43 N2 O2 Rh -","- C62 H86 N4 O4 Rh2 -","2","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0265","0.0242","","","0.0609","0.0625","","","","","","1.055","","","","has coordinates","252762","2020-10-21","18:00:00",""
"7703899","9.4904","0.0004","18.29","0.0008","20.8209","0.0007","90","","99.416","0.002","90","","3565.4","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[(Giso)Rh(CO2)]","","- C39 H56 N3 O2 Rh -","- C39 H56 N3 O2 Rh -","- C156 H224 N12 O8 Rh4 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0356","0.028","","","0.0649","0.0689","","","","","","1.036","","","","has coordinates","252762","2020-10-21","18:00:00",""
"7703900","14.6044","0.0006","16.5465","0.0009","21.0726","0.0011","90","","109.055","0.002","90","","4813.2","0.4","150","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[TlCl(N3Dipp2)2]","","- C48 H68 Cl N6 Tl -","- C48 H68 Cl N6 Tl -","- C192 H272 Cl4 N24 Tl4 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0364","0.0244","","","0.0497","0.0532","","","","","","1.041","","","","has coordinates","252762","2020-10-21","18:00:00",""
"7703901","14.57","0.003","16.835","0.003","21.235","0.004","90","","108.21","0.03","90","","4947.8","1.8","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[TlBr(N3Dipp2)2]","","- C48 H68 Br N6 Tl -","- C48 H68 Br N6 Tl -","- C192 H272 Br4 N24 Tl4 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.1294","0.0591","","","0.1352","0.1558","","","","","","1.041","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703902","14.667","0.005","16.51","0.006","21.164","0.006","90","","109.752","0.011","90","","4823","3","150","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[InH(N3Dipp2)2]","","- C48 H69 In N6 -","- C48 H69 In N6 -","- C192 H276 In4 N24 -","4","1","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0484","0.033","","","0.0827","0.0935","","","","","","1.026","","","","has coordinates,has disorder","252762","2020-10-21","18:00:00",""
"7703903","14.2522","0.0003","5.9764","0.0001","12.0658","0.0002","90","","90","","90","","1027.73","0.03","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H11 O2 P -","- C11 H11 O2 P -","- C44 H44 O8 P4 -","4","1","","Pearce, Kyle G.; Simenok, Vladimir; Crossley, Ian R.","Phosphacycloalkyldiones: synthesis and coordinative behaviour of 6- and 7-member cyclic diketophosphanyls.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5482","5492","10.1039/d0dt00864h","","x-ray","1.54184","CuKα","","0.0611","0.0593","","","0.1632","0.1647","","","","","","1.098","","","","has coordinates","252766","2020-10-21","18:00:00",""
"7703904","6.89715","0.00009","12.94011","0.00018","15.83074","0.0002","90","","101.052","0.0013","90","","1386.69","0.03","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 O7 P W -","- C11 H9 O7 P W -","- C44 H36 O28 P4 W4 -","4","1","","Pearce, Kyle G.; Simenok, Vladimir; Crossley, Ian R.","Phosphacycloalkyldiones: synthesis and coordinative behaviour of 6- and 7-member cyclic diketophosphanyls.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5482","5492","10.1039/d0dt00864h","","x-ray","1.54184","CuKα","","0.0212","0.0204","","","0.0503","0.0507","","","","","","1.201","","","","has coordinates","252766","2020-10-21","18:00:00",""
"7703905","10.8705","0.0003","9.7423","0.0002","11.9176","0.0002","90","","93.452","0.002","90","","1259.83","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 O2 P -","- C14 H17 O2 P -","- C56 H68 O8 P4 -","4","1","","Pearce, Kyle G.; Simenok, Vladimir; Crossley, Ian R.","Phosphacycloalkyldiones: synthesis and coordinative behaviour of 6- and 7-member cyclic diketophosphanyls.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5482","5492","10.1039/d0dt00864h","","x-ray","1.54184","CuKα","","0.0379","0.0344","","","0.0894","0.0915","","","","","","1.082","","","","has coordinates","252766","2020-10-21","18:00:00",""
"7703906","7.4569","0.0009","10.591","0.002","26.251","0.004","90","","90","","90","","2073.2","0.6","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 Cl2 O2 P2 Pt -","- C17 H26 Cl2 O2 P2 Pt -","- C68 H104 Cl8 O8 P8 Pt4 -","4","1","","Pearce, Kyle G.; Simenok, Vladimir; Crossley, Ian R.","Phosphacycloalkyldiones: synthesis and coordinative behaviour of 6- and 7-member cyclic diketophosphanyls.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5482","5492","10.1039/d0dt00864h","","x-ray","1.54184","CuKα","","0.1763","0.1055","","","0.2316","0.3003","","","","","","1.01","","","","has coordinates","252766","2020-10-21","18:00:00",""
"7703907","12.3442","0.0002","12.5495","0.0002","21.9424","0.0004","90","","90","","90","","3399.17","0.1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H15 O7 P W -","- C14 H15 O7 P W -","- C112 H120 O56 P8 W8 -","8","1","","Pearce, Kyle G.; Simenok, Vladimir; Crossley, Ian R.","Phosphacycloalkyldiones: synthesis and coordinative behaviour of 6- and 7-member cyclic diketophosphanyls.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5482","5492","10.1039/d0dt00864h","","x-ray","1.54184","CuKα","","0.036","0.0302","","","0.0821","0.0851","","","","","","1.064","","","","has coordinates","252766","2020-10-21","18:00:00",""
"7703908","12.2774","0.0002","24.2123","0.0003","13.4741","0.0002","90","","113.14","0.002","90","","3683.12","0.11","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H29 P Si2 -","- C15 H29 P Si2 -","- C120 H232 P8 Si16 -","8","2","","Pearce, Kyle G.; Simenok, Vladimir; Crossley, Ian R.","Phosphacycloalkyldiones: synthesis and coordinative behaviour of 6- and 7-member cyclic diketophosphanyls.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5482","5492","10.1039/d0dt00864h","","x-ray","1.54184","CuKα","","0.0356","0.0331","","","0.0873","0.0895","","","","","","1.035","","","","has coordinates","297289","2025-01-11","08:06:24",""
"7703909","11.0044","0.0003","9.7434","0.0003","32.7494","0.001","90","","91.882","0.003","90","","3509.51","0.18","100","0.1","100","10","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 O14 P2 W2 -","- C32.0012 H22 O14.0012 P2 W1.9988 -","- C128.005 H88 O56.0048 P8 W7.9952 -","4","1","","Pearce, Kyle G.; Simenok, Vladimir; Crossley, Ian R.","Phosphacycloalkyldiones: synthesis and coordinative behaviour of 6- and 7-member cyclic diketophosphanyls.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5482","5492","10.1039/d0dt00864h","","x-ray","1.54184","CuKα","","0.0798","0.0672","","","0.1603","0.1672","","","","","","1.15","","","","has coordinates,has disorder","252766","2020-10-21","18:00:00",""
"7703910","10.47577","0.00014","18.4399","0.0002","26.7555","0.0003","90","","95.9198","0.0013","90","","5140.86","0.11","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54.25 H33.5 Cl2.5 F10 N3 P2 Pt2 S -","- C54.25 H33.5 Cl2.5 F10 N3 P2 Pt2 S -","- C217 H134 Cl10 F40 N12 P8 Pt8 S4 -","4","1","","Fortuño, Consuelo; Martín, Antonio; Mastrorilli, Piero; Latronico, Mario; Petrelli, Valentina; Todisco, Stefano","Stable mixed-valence diphenylphosphanido bridged platinum(ii)-platinum(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4935","4955","10.1039/d0dt00712a","","","0.71073","MoKα","","0.0296","0.0266","","","0.0705","0.0721","","","","","","1.066","","","","has coordinates","251663","2020-10-21","18:00:00",""
"7703911","14.682","0.0002","16.6776","0.0002","24.2836","0.0003","90","","97.7564","0.0013","90","","5891.69","0.13","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H64 F10 N2 O P2 Pt2 -","- C65 H64 F10 N2 O P2 Pt2 -","- C260 H256 F40 N8 O4 P8 Pt8 -","4","1","","Fortuño, Consuelo; Martín, Antonio; Mastrorilli, Piero; Latronico, Mario; Petrelli, Valentina; Todisco, Stefano","Stable mixed-valence diphenylphosphanido bridged platinum(ii)-platinum(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4935","4955","10.1039/d0dt00712a","","","0.71073","MoKα","","0.0303","0.0231","","","0.0463","0.0486","","","","","","1.03","","","","has coordinates,has disorder","251663","2020-10-21","18:00:00",""
"7703912","10.3815","0.0005","14.8245","0.0008","21.6355","0.0012","108.174","0.005","103.83","0.004","90.839","0.004","3057.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H64 F10 I N5 P2 Pt2 -","- C65 H64 F10 I N5 P2 Pt2 -","- C130 H128 F20 I2 N10 P4 Pt4 -","2","1","","Fortuño, Consuelo; Martín, Antonio; Mastrorilli, Piero; Latronico, Mario; Petrelli, Valentina; Todisco, Stefano","Stable mixed-valence diphenylphosphanido bridged platinum(ii)-platinum(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4935","4955","10.1039/d0dt00712a","","","0.71073","MoKα","","0.1172","0.0826","","","0.1838","0.2029","","","","","","1.118","","","","has coordinates","251663","2020-10-21","18:00:00",""
"7703913","10.9852","0.0009","24.082","0.002","20.5966","0.0017","90","","97.523","0.001","90","","5401.8","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","CFT 128.1 CH2Cl2/hex","","","- C54 H38 Cl4 F10 N2 P2 Pt2 S2 -","- C54 H38 Cl4 F10 N2 P2 Pt2 S2 -","- C216 H152 Cl16 F40 N8 P8 Pt8 S8 -","4","1","","Fortuño, Consuelo; Martín, Antonio; Mastrorilli, Piero; Latronico, Mario; Petrelli, Valentina; Todisco, Stefano","Stable mixed-valence diphenylphosphanido bridged platinum(ii)-platinum(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4935","4955","10.1039/d0dt00712a","","","0.71073","MoKα","","0.0298","0.0232","","","0.0505","0.0525","","","","","","1.005","","","","has coordinates,has disorder","251663","2020-10-21","18:00:00",""
"7703914","12.1374","0.0008","33.666","0.002","16.3939","0.0011","90","","99.688","0.001","90","","6603.3","0.7","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C67.5 H67 Cl3 F10 N2 O P2 Pt2 S2 -","- C67.5 H67 Cl3 F10 N2 O P2 Pt2 S2 -","- C270 H268 Cl12 F40 N8 O4 P8 Pt8 S8 -","4","1","","Fortuño, Consuelo; Martín, Antonio; Mastrorilli, Piero; Latronico, Mario; Petrelli, Valentina; Todisco, Stefano","Stable mixed-valence diphenylphosphanido bridged platinum(ii)-platinum(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4935","4955","10.1039/d0dt00712a","","","0.71073","MoKα","","0.0538","0.0443","","","0.0841","0.0868","","","","","","1.231","","","","has coordinates,has disorder","251663","2020-10-21","18:00:00",""
"7703915","19.3698","0.0006","18.5637","0.0005","23.0499","0.0007","90","","114.034","0.001","90","","7569.6","0.4","100","2","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Fe2FebnbpenTp100k","","- C67 H84 B2 Fe3 N22 O8 -","- C67 H84 B2 Fe3 N22 O8 -","- C268 H336 B8 Fe12 N88 O32 -","4","0.5","","Chen, Jia-Tao; Zhao, Xin-Hua; Zhang, Yuan-Zhu","Manipulating the spin crossover behavior in a series of {FeFe<sup>II</sup>} complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5949","5956","10.1039/d0dt00016g","","","0.71073","MoKα","","0.0507","0.0443","","","0.1083","0.1129","","","","","","1.028","","","","has coordinates,has disorder","252818","2020-10-21","18:00:00",""
"7703916","19.309","0.004","18.909","0.004","23.215","0.004","90","","113.646","0.005","90","","7764","3","299","2","299.97","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H84 B2 Fe3 N22 O8 -","- C60 H54 B2 Fe3 N22 -","- C240 H216 B8 Fe12 N88 -","4","0.5","","Chen, Jia-Tao; Zhao, Xin-Hua; Zhang, Yuan-Zhu","Manipulating the spin crossover behavior in a series of {FeFe<sup>II</sup>} complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5949","5956","10.1039/d0dt00016g","","","0.71073","MoKα","","0.0669","0.0485","","","0.1229","0.1379","","","","","","1.029","","","","has coordinates","252818","2020-10-21","18:00:00",""
"7703917","23.678","0.007","21.345","0.008","22.221","0.009","90","","116.701","0.009","90","","10033","6","100","2","100.02","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bnbpenTp+300k","","- C78 H118 B2 Fe3 N22 O14 -","- C72 H78 B2 Fe3 N22 -","- C288 H312 B8 Fe12 N88 -","4","0.5","","Chen, Jia-Tao; Zhao, Xin-Hua; Zhang, Yuan-Zhu","Manipulating the spin crossover behavior in a series of {FeFe<sup>II</sup>} complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5949","5956","10.1039/d0dt00016g","","","0.71073","MoKα","","0.1155","0.0658","","","0.1553","0.1847","","","","","","1.041","","","","has coordinates,has disorder","252818","2020-10-21","18:00:00",""
"7703918","18.936","0.006","20.261","0.006","23.361","0.005","90","","113.627","0.009","90","","8211","4","300","2","300.02","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C71 H82 B2 Cl4 Fe3 N22 O3 -","- C66 H66 B2 Fe3 N22 -","- C264 H264 B8 Fe12 N88 -","4","0.5","","Chen, Jia-Tao; Zhao, Xin-Hua; Zhang, Yuan-Zhu","Manipulating the spin crossover behavior in a series of {FeFe<sup>II</sup>} complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5949","5956","10.1039/d0dt00016g","","","0.71073","MoKα","","0.1053","0.0704","","","0.1792","0.1948","","","","","","1.034","","","","has coordinates,has disorder","252818","2020-10-21","18:00:00",""
"7703919","23.0454","0.0012","19.9288","0.0012","21.8359","0.0011","90","","114.754","0.002","90","","9107","0.9","100","2","100.02","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H118 B2 Fe3 N22 O14 -","- C78 H118 B2 Fe3 N22 O14 -","- C312 H472 B8 Fe12 N88 O56 -","4","0.5","","Chen, Jia-Tao; Zhao, Xin-Hua; Zhang, Yuan-Zhu","Manipulating the spin crossover behavior in a series of {FeFe<sup>II</sup>} complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5949","5956","10.1039/d0dt00016g","","","0.71073","MoKα","","0.1153","0.0719","","","0.1948","0.2408","","","","","","1.053","","","","has coordinates,has disorder","252818","2020-10-21","18:00:00",""
"7703920","18.4576","0.0012","20.1964","0.0013","23.1855","0.0012","90","","113.46","","90","","7928.6","0.8","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C73 H90 B2 Cl4 Fe3 N22 O5 -","- C73 H90 B2 Cl4 Fe3 N22 O5 -","- C292 H360 B8 Cl16 Fe12 N88 O20 -","4","0.5","","Chen, Jia-Tao; Zhao, Xin-Hua; Zhang, Yuan-Zhu","Manipulating the spin crossover behavior in a series of {FeFe<sup>II</sup>} complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5949","5956","10.1039/d0dt00016g","","","0.71073","MoKα","","0.096","0.0754","","","0.1937","0.2095","","","","","","1.052","","","","has coordinates,has disorder","252818","2020-10-21","18:00:00",""
"7703921","11.3337","0.0003","14.1733","0.0003","14.5035","0.0004","82.893","0.001","72.502","0.001","85.981","0.001","2203.57","0.1","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H46 Br3 Dy O4 P2 -","- C44 H46 Br3 Dy O4 P2 -","- C88 H92 Br6 Dy2 O8 P4 -","2","1","","Vignesh, Kuduva R.; Alexandropoulos, Dimitris I.; Xie, Haomiao; Dunbar, Kim R.","Six-coordinate mononuclear dysprosium(iii) single-molecule magnets with the triphenylphosphine oxide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4694","4698","10.1039/d0dt00801j","","","1.54178","CuKα","","0.0226","0.0207","","","0.0472","0.0487","","","","","","1.063","","","","has coordinates","251664","2020-10-21","18:00:00",""
"7703922","11.1577","0.0003","13.7559","0.0004","14.4609","0.0004","83.82","0.001","73.207","0.001","86.08","0.001","2110.9","0.1","100","","100.02","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H46 Cl3 Dy O4 P2 -","- C44 H46 Cl3 Dy O4 P2 -","- C88 H92 Cl6 Dy2 O8 P4 -","2","1","","Vignesh, Kuduva R.; Alexandropoulos, Dimitris I.; Xie, Haomiao; Dunbar, Kim R.","Six-coordinate mononuclear dysprosium(iii) single-molecule magnets with the triphenylphosphine oxide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4694","4698","10.1039/d0dt00801j","","","1.54178","CuKα","","0.024","0.0232","","","0.0588","0.06","","","","","","1.077","","","","has coordinates","251664","2020-10-21","18:00:00",""
"7703923","18.5253","0.0008","23.7303","0.001","20.0073","0.0008","90","","106.966","0.001","90","","8412.6","0.6","110","2","110.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C92 H100.8 Dy I3 O10.3 P4 -","- C84 H84.296 Dy I3 O7.296 P4 -","- C336 H337.184 Dy4 I12 O29.184 P16 -","4","1","","Vignesh, Kuduva R.; Alexandropoulos, Dimitris I.; Xie, Haomiao; Dunbar, Kim R.","Six-coordinate mononuclear dysprosium(iii) single-molecule magnets with the triphenylphosphine oxide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4694","4698","10.1039/d0dt00801j","","","0.71073","MoKα","","0.0324","0.0297","","","0.0739","0.0765","","","","","","1.183","","","","has coordinates,has disorder","251664","2020-10-21","18:00:00",""
"7703924","18.291","0.002","17.4258","0.0019","26.727","0.003","90","","90","","90","","8518.8","1.6","100","2","99.99","","","","","","","","","6","P b c n","-P 2n 2ab","60","","Ag4(PN)4","","- C240 H544 Ag16 N64 O4 P16 -","- C240 H544 Ag16 N64 O4 P16 -","- C240 H544 Ag16 N64 O4 P16 -","1","0.125","","Aguirre Quintana, Luis M.; Jiang, Ningxin; Bacsa, John; La Pierre, Henry S.","Coinage metal tris(dialkylamido)imidophosphorane complexes as transmetallation reagents for cerium complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5420","5423","10.1039/d0dt00842g","","x-ray","0.71073","MoKα","","0.1036","0.0713","","","0.1725","0.2138","","","","","","1.067","","","","has coordinates,has disorder","252752","2020-10-21","18:00:00",""
"7703925","25.417","0.004","15.104","0.002","40.405","0.008","90","","105.657","0.008","90","","14936","4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ag4N16P4C60H120","","- C60 H120 Ag4 N16 P4 -","- C60 H120 Ag4 N16 P4 -","- C480 H960 Ag32 N128 P32 -","8","1","","Aguirre Quintana, Luis M.; Jiang, Ningxin; Bacsa, John; La Pierre, Henry S.","Coinage metal tris(dialkylamido)imidophosphorane complexes as transmetallation reagents for cerium complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5420","5423","10.1039/d0dt00842g","","x-ray","0.71073","MoKα","","0.0563","0.0455","","","0.1135","0.122","","","","","","1.037","","","","has coordinates,has disorder","252752","2020-10-21","18:00:00",""
"7703926","13.827","0.002","14.5142","0.0018","16.6474","0.0019","88.104","0.005","70.874","0.007","62.002","0.006","2757.7","0.7","100","","99.99","","","","","","","","","5","P -1","-P 1","2","","Ce2(Pipen)6","","- C45 H90 Ce N12 P3 -","- C45 H90 Ce N12 P3 -","- C90 H180 Ce2 N24 P6 -","2","1","","Aguirre Quintana, Luis M.; Jiang, Ningxin; Bacsa, John; La Pierre, Henry S.","Coinage metal tris(dialkylamido)imidophosphorane complexes as transmetallation reagents for cerium complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5420","5423","10.1039/d0dt00842g","","x-ray","0.71073","MoKα","","0.0288","0.0266","","","0.0637","0.0656","","","","","","1.052","","","","has coordinates,has disorder","252752","2020-10-21","18:00:00",""
"7703927","13.463","0.002","22.899","0.004","24.461","0.004","90","","93.561","0.007","90","","7527","2","100","","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cu4(PN)4 THF","","- C240 H548 Cu16 N64 O4 P16 -","- C240 H548 Cu16 N64 O4 P16 -","- C240 H548 Cu16 N64 O4 P16 -","1","0.25","","Aguirre Quintana, Luis M.; Jiang, Ningxin; Bacsa, John; La Pierre, Henry S.","Coinage metal tris(dialkylamido)imidophosphorane complexes as transmetallation reagents for cerium complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5420","5423","10.1039/d0dt00842g","","x-ray","0.71073","MoKα","","0.0791","0.0451","","","0.0953","0.1123","","","","","","1.014","","","","has coordinates,has disorder","252752","2020-10-21","18:00:00",""
"7703928","38.6411","0.0012","17.6379","0.0006","33.0067","0.0017","90","","119.314","0.001","90","","19615.1","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C156 H240 N6 Ni21.37 O52 Pd20.63 -","- C156 H240 N6 Ni21.382 O52 Pd20.618 -","- C624 H960 N24 Ni85.528 O208 Pd82.472 -","4","0.5","","Berti, Beatrice; Cesari, Cristiana; Femoni, Cristina; Funaioli, Tiziana; Iapalucci, Maria Carmela; Zacchini, Stefano","Redox active Ni-Pd carbonyl alloy nanoclusters: syntheses, molecular structures and electrochemistry of [Ni<sub>22-x</sub>Pd<sub>20+x</sub>(CO)<sub>48</sub>]<sup>6-</sup> (x = 0.62), [Ni<sub>29-x</sub>Pd<sub>6+x</sub>(CO)<sub>42</sub>]<sup>6-</sup> (x = 0.09) and [Ni<sub>29+x</sub>Pd<sub>6-x</sub>(CO)<sub>42</sub>]<sup>6-</sup> (x = 0.27).","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5513","5522","10.1039/d0dt00337a","","","0.71073","MoKα","","0.0567","0.0452","","","0.0981","0.1033","","","","","","1.061","","","","has coordinates,has disorder","252756","2020-10-21","18:00:00",""
"7703929","18.013","0.0014","18.013","0.0014","23.271","0.0017","90","","90","","120","","6539.1","0.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C96 H129 N9 Ni29.27 O42 Pd5.73 -","- C96 H129 N9 Ni29.268 O42 Pd5.732 -","- C192 H258 N18 Ni58.536 O84 Pd11.464 -","2","0.166667","","Berti, Beatrice; Cesari, Cristiana; Femoni, Cristina; Funaioli, Tiziana; Iapalucci, Maria Carmela; Zacchini, Stefano","Redox active Ni-Pd carbonyl alloy nanoclusters: syntheses, molecular structures and electrochemistry of [Ni<sub>22-x</sub>Pd<sub>20+x</sub>(CO)<sub>48</sub>]<sup>6-</sup> (x = 0.62), [Ni<sub>29-x</sub>Pd<sub>6+x</sub>(CO)<sub>42</sub>]<sup>6-</sup> (x = 0.09) and [Ni<sub>29+x</sub>Pd<sub>6-x</sub>(CO)<sub>42</sub>]<sup>6-</sup> (x = 0.27).","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5513","5522","10.1039/d0dt00337a","","","0.71073","MoKα","","0.1234","0.0988","","","0.2516","0.2793","","","","","","1.089","","","","has coordinates,has disorder","252756","2020-10-21","18:00:00",""
"7703930","18.0295","0.0015","18.0295","0.0015","23.386","0.002","90","","90","","120","","6583.5","1","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C95 H129 N9 Ni28.91 O42 Pd6.09 -","- C94.9998 H129 N9 Ni28.914 O42 Pd6.086 -","- C190 H258 N18 Ni57.828 O84 Pd12.172 -","2","0.166667","","Berti, Beatrice; Cesari, Cristiana; Femoni, Cristina; Funaioli, Tiziana; Iapalucci, Maria Carmela; Zacchini, Stefano","Redox active Ni-Pd carbonyl alloy nanoclusters: syntheses, molecular structures and electrochemistry of [Ni<sub>22-x</sub>Pd<sub>20+x</sub>(CO)<sub>48</sub>]<sup>6-</sup> (x = 0.62), [Ni<sub>29-x</sub>Pd<sub>6+x</sub>(CO)<sub>42</sub>]<sup>6-</sup> (x = 0.09) and [Ni<sub>29+x</sub>Pd<sub>6-x</sub>(CO)<sub>42</sub>]<sup>6-</sup> (x = 0.27).","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5513","5522","10.1039/d0dt00337a","","","0.71073","MoKα","","0.1205","0.1011","","","0.2246","0.239","","","","","","1.212","","","","has coordinates,has disorder","252756","2020-10-21","18:00:00",""
"7703931","11.8454","0.0006","7.2758","0.0004","18.8865","0.001","90","","107.701","0.005","90","","1550.67","0.15","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Ag N3 O7 S -","- C13 H12 Ag N3 O7 S -","- C52 H48 Ag4 N12 O28 S4 -","4","1","","Andrejević, Tina P; Milivojevic, Dusan; Glišić, Biljana Đ; Kljun, Jakob; Stevanović, Nevena Lj; Vojnovic, Sandra; Medic, Strahinja; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I","Silver(i) complexes with different pyridine-4,5-dicarboxylate ligands as efficient agents for the control of cow mastitis associated pathogens.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6084","6096","10.1039/d0dt00518e","","x-ray","0.71073","MoKα","","0.0382","0.0297","","","0.0707","0.0773","","","","","","1.042","","","","has coordinates","252803","2020-10-21","18:00:00",""
"7703932","12.346","0.0006","7.4026","0.0004","16.9382","0.0007","90","","104.169","0.004","90","","1500.93","0.13","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Ag N3 O7 -","- C14 H12 Ag N3 O7 -","- C56 H48 Ag4 N12 O28 -","4","1","","Andrejević, Tina P; Milivojevic, Dusan; Glišić, Biljana Đ; Kljun, Jakob; Stevanović, Nevena Lj; Vojnovic, Sandra; Medic, Strahinja; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I","Silver(i) complexes with different pyridine-4,5-dicarboxylate ligands as efficient agents for the control of cow mastitis associated pathogens.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6084","6096","10.1039/d0dt00518e","","x-ray","0.71073","MoKα","","0.04","0.0292","","","0.062","0.0694","","","","","","1.07","","","","has coordinates","252803","2020-10-21","18:00:00",""
"7703933","6.8388","0.0006","11.9872","0.0009","12.9686","0.0009","113.877","0.007","93.318","0.006","100.412","0.007","945.94","0.14","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C32 H30 Ag2 B2 F8 N6 O8 -","- C32 H30 Ag2 B2 F8 N6 O8 -","- C32 H30 Ag2 B2 F8 N6 O8 -","1","0.5","","Andrejević, Tina P; Milivojevic, Dusan; Glišić, Biljana Đ; Kljun, Jakob; Stevanović, Nevena Lj; Vojnovic, Sandra; Medic, Strahinja; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I","Silver(i) complexes with different pyridine-4,5-dicarboxylate ligands as efficient agents for the control of cow mastitis associated pathogens.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6084","6096","10.1039/d0dt00518e","","x-ray","0.71073","MoKα","","0.0539","0.0391","","","0.0878","0.0986","","","","","","1.067","","","","has coordinates,has disorder","252803","2020-10-21","18:00:00",""
"7703934","10.5822","0.0005","24.4148","0.0008","12.6708","0.0005","90","","114.002","0.006","90","","2990.6","0.3","153","6","153","6","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Ag B F4 N4 O8 S2 -","- C26 H24 Ag B F4 N4 O8 S2 -","- C104 H96 Ag4 B4 F16 N16 O32 S8 -","4","1","","Andrejević, Tina P; Milivojevic, Dusan; Glišić, Biljana Đ; Kljun, Jakob; Stevanović, Nevena Lj; Vojnovic, Sandra; Medic, Strahinja; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I","Silver(i) complexes with different pyridine-4,5-dicarboxylate ligands as efficient agents for the control of cow mastitis associated pathogens.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6084","6096","10.1039/d0dt00518e","","x-ray","0.71073","MoKα","","0.0442","0.0325","","","0.0758","0.0832","","","","","","1.037","","","","has coordinates","252803","2020-10-21","18:00:00",""
"7703935","12.2044","0.0005","7.9645","0.0003","29.653","0.0009","90","","97.886","0.003","90","","2855.07","0.18","160","16","160","16","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Ag B F4 N4 O8 S2 -","- C24 H20 Ag B F4 N4 O8 S2 -","- C96 H80 Ag4 B4 F16 N16 O32 S8 -","4","1","","Andrejević, Tina P; Milivojevic, Dusan; Glišić, Biljana Đ; Kljun, Jakob; Stevanović, Nevena Lj; Vojnovic, Sandra; Medic, Strahinja; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I","Silver(i) complexes with different pyridine-4,5-dicarboxylate ligands as efficient agents for the control of cow mastitis associated pathogens.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6084","6096","10.1039/d0dt00518e","","x-ray","0.71073","MoKα","","0.0391","0.0293","","","0.0641","0.0688","","","","","","1.019","","","","has coordinates,has disorder","252803","2020-10-21","18:00:00",""
"7703936","6.888","0.0014","6.775","0.0014","11.928","0.002","90","","90.08","0.03","90","","556.63","0.19","100","2","100","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- O28 Pr3 U6 -","- O28 Pr3 U6 -","- O28 Pr3 U6 -","1","0.5","","Lu, Kimbal Thane; Zhang, Yingjie; Wei, Tao; Čejka, Jiří; Zheng, Rongkun","Layer-structured uranyl-oxide hydroxy-hydrates with Pr(iii) and Tb(iii) ions: hydroxyl to oxo transition driven by interlayer cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5832","5841","10.1039/d0dt00526f","","","0.71078","silicondoublecrystalmonochromatedsynchrotron","","0.0468","0.0467","","","0.1073","0.1074","","","","","","1.111","","","","has coordinates","252806","2020-10-21","18:00:00",""
"7703937","13.772","0.003","14.798","0.003","13.743","0.003","90","","119.66","0.03","90","","2433.8","1.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O27.5 Tb U6 -","- O27.5 Tb U6 -","- O110 Tb4 U24 -","4","1","","Lu, Kimbal Thane; Zhang, Yingjie; Wei, Tao; Čejka, Jiří; Zheng, Rongkun","Layer-structured uranyl-oxide hydroxy-hydrates with Pr(iii) and Tb(iii) ions: hydroxyl to oxo transition driven by interlayer cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5832","5841","10.1039/d0dt00526f","","","0.71077","silicondoublecrystalmonochromatedsynchrotron","","0.0698","0.0587","","","0.1434","0.1512","","","","","","1.016","","","","has coordinates","252806","2020-10-21","18:00:00",""
"7703938","24.5552","0.0017","9.921","0.0006","19.9673","0.0012","90","","102.042","0.002","90","","4757.2","0.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 Cu2 N8 O4 -","- C42 H32 Cu2 N8 O4 -","- C168 H128 Cu8 N32 O16 -","4","0.5","","Sartoris, Rosana P.; Santana, Vinicius T.; Freire, Eleonora; Baggio, Ricardo F.; Nascimento, Otaciro R.; Calvo, Rafael","Exchange couplings and quantum phases in two dissimilar arrays of similar copper dinuclear units.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5228","5240","10.1039/d0dt00567c","","","0.71073","MoKα","","0.0358","0.0284","","","0.075","0.0788","","","","","","1.011","","","","has coordinates","295835","2024-11-08","15:48:26",""
"7703939","6.9333","0.00015","9.2527","0.0002","10.8291","0.0002","93.0017","0.0018","96.8379","0.0018","96.4142","0.0018","683.93","0.02","183","1","183","1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Cl F6 P Re -","- C12 H11 Cl F6 P Re -","- C24 H22 Cl2 F12 P2 Re2 -","2","1","","Hernández-Valdés, Daniel; Avignon, Frédéric; Müller, Peter; Meola, Giuseppe; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","[Re(η<sup>6</sup>-arene)<sub>2</sub>]<sup>+</sup> as a highly stable ferrocene-like scaffold for ligands and complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5250","5256","10.1039/d0dt00731e","","x-ray","0.71073","MoKα","","0.0265","0.0218","","","0.0458","0.0478","","","","","","1.05","","","","has coordinates","251627","2020-10-21","18:00:00",""
"7703940","7.4498","0.0003","8.9441","0.0003","12.475","0.0004","87.943","0.003","81.378","0.003","81.589","0.003","812.91","0.05","183","1","183","1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 F6 N P Re -","- C16 H15 F6 N P Re -","- C32 H30 F12 N2 P2 Re2 -","2","1","","Hernández-Valdés, Daniel; Avignon, Frédéric; Müller, Peter; Meola, Giuseppe; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","[Re(η<sup>6</sup>-arene)<sub>2</sub>]<sup>+</sup> as a highly stable ferrocene-like scaffold for ligands and complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5250","5256","10.1039/d0dt00731e","","x-ray","0.71073","MoKα","","0.0327","0.0286","","","0.0604","0.0634","","","","","","1.042","","","","has coordinates","251627","2020-10-21","18:00:00",""
"7703941","9.2519","0.00008","8.61633","0.00007","21.15676","0.0002","90","","101.937","0.0009","90","","1650.09","0.03","183","0.1","183","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 F6 N3 P -","- C16 H14 F6 N3 P -","- C64 H56 F24 N12 P4 -","4","1","","Hernández-Valdés, Daniel; Avignon, Frédéric; Müller, Peter; Meola, Giuseppe; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","[Re(η<sup>6</sup>-arene)<sub>2</sub>]<sup>+</sup> as a highly stable ferrocene-like scaffold for ligands and complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5250","5256","10.1039/d0dt00731e","","x-ray","1.54184","CuKα","","0.0522","0.0506","","","0.1462","0.1475","","","","","","1.091","","","","has coordinates","251627","2020-10-21","18:00:00",""
"7703942","8.7827","0.0004","11.5752","0.0003","14.4118","0.0005","90","","95.847","0.003","90","","1457.5","0.09","183.05","0.1","183.05","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cl2 F6 P Re -","- C12 H10 Cl2 F6 P Re -","- C48 H40 Cl8 F24 P4 Re4 -","4","0.5","","Hernández-Valdés, Daniel; Avignon, Frédéric; Müller, Peter; Meola, Giuseppe; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","[Re(η<sup>6</sup>-arene)<sub>2</sub>]<sup>+</sup> as a highly stable ferrocene-like scaffold for ligands and complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5250","5256","10.1039/d0dt00731e","","x-ray","0.71073","MoKα","","0.0263","0.0236","","","0.0548","0.056","","","","","","1.11","","","","has coordinates","251627","2020-10-21","18:00:00",""
"7703943","14.62401","0.00013","7.99651","0.00007","25.03769","0.00019","90","","102.434","0.0008","90","","2859.26","0.04","160","0.1","160","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 F6 N6 P Re -","- C32 H26 F6 N6 P Re -","- C128 H104 F24 N24 P4 Re4 -","4","0.5","","Hernández-Valdés, Daniel; Avignon, Frédéric; Müller, Peter; Meola, Giuseppe; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","[Re(η<sup>6</sup>-arene)<sub>2</sub>]<sup>+</sup> as a highly stable ferrocene-like scaffold for ligands and complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5250","5256","10.1039/d0dt00731e","","x-ray","1.54184","CuKα","","0.0282","0.0277","","","0.0748","0.0752","","","","","","1.179","","","","has coordinates","251627","2020-10-21","18:00:00",""
"7703944","8.25941","0.00009","16.80045","0.0002","11.25367","0.00014","90","","90","","90","","1561.58","0.03","159.99","0.1","159.99","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C15 H14 F6 N2 P Re -","- C15 H14 F6 N2 P Re -","- C60 H56 F24 N8 P4 Re4 -","4","0.5","","Hernández-Valdés, Daniel; Avignon, Frédéric; Müller, Peter; Meola, Giuseppe; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","[Re(η<sup>6</sup>-arene)<sub>2</sub>]<sup>+</sup> as a highly stable ferrocene-like scaffold for ligands and complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5250","5256","10.1039/d0dt00731e","","x-ray","0.71073","MoKα","","0.0249","0.0196","","","0.0385","0.0396","","","","","","1.091","","","","has coordinates,has disorder","251627","2020-10-21","18:00:00",""
"7703945","10.70728","0.00014","16.7513","0.0002","12.06921","0.00017","90","","103.977","0.0014","90","","2100.65","0.05","160","0.1","160","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 F6 N3 P Re -","- C22 H19 F6 N3 P Re -","- C88 H76 F24 N12 P4 Re4 -","4","1","","Hernández-Valdés, Daniel; Avignon, Frédéric; Müller, Peter; Meola, Giuseppe; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","[Re(η<sup>6</sup>-arene)<sub>2</sub>]<sup>+</sup> as a highly stable ferrocene-like scaffold for ligands and complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5250","5256","10.1039/d0dt00731e","","x-ray","0.71073","MoKα","","0.0276","0.0207","","","0.0456","0.0474","","","","","","1.018","","","","has coordinates,has disorder","251627","2020-10-21","18:00:00",""
"7703946","9.12699","0.00016","11.2066","0.0002","13.6865","0.0002","88.3898","0.0015","71.1433","0.0016","86.0932","0.0015","1321.65","0.04","160","0.1","160","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H22.5 F6 N6 O0.25 P Re -","- C28 H22 F6 N6 O0.25 P Re -","- C56 H44 F12 N12 O0.5 P2 Re2 -","2","1","","Hernández-Valdés, Daniel; Avignon, Frédéric; Müller, Peter; Meola, Giuseppe; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","[Re(η<sup>6</sup>-arene)<sub>2</sub>]<sup>+</sup> as a highly stable ferrocene-like scaffold for ligands and complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5250","5256","10.1039/d0dt00731e","","x-ray","0.71073","MoKα","","0.0291","0.0235","","","0.0479","0.0491","","","","","","1.05","","","","has coordinates","251627","2020-10-21","18:00:00",""
"7703947","24.24","0.0001","8.2533","0.0001","42.2847","0.0002","90","","92.709","0.001","90","","8450.02","0.12","160","0.1","160","0.1","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C36 H28 Co F9 N4 O11 Re S3 -","- C36 H28 Co F9 N4 O11 Re S3 -","- C288 H224 Co8 F72 N32 O88 Re8 S24 -","8","2","","Hernández-Valdés, Daniel; Avignon, Frédéric; Müller, Peter; Meola, Giuseppe; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","[Re(η<sup>6</sup>-arene)<sub>2</sub>]<sup>+</sup> as a highly stable ferrocene-like scaffold for ligands and complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5250","5256","10.1039/d0dt00731e","","x-ray","1.54184","CuKα","","0.0712","0.0692","","","0.1587","0.1594","","","","","","1.354","","","","has coordinates","251627","2020-10-21","18:00:00",""
"7703948","12.7527","0.004","13.5827","0.0038","15.2564","0.0041","90","","93.4404","0.0139","90","","2637.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 Cu6 I6 N4 P2 -","- C44 H50 Cu6 I6 N4 P2 -","- C88 H100 Cu12 I12 N8 P4 -","2","0.5","","Xu, Ke; Chen, Bu-Lin; Zhang, Rui; Liu, Li; Zhong, Xin-Xin; Wang, Lei; Li, Feng-Yan; Li, Guang-Hua; Alamry, Khalid A.; Li, Fa-Bao; Wong, Wai-Yeung; Qin, Hai-Mei","From a blue to white to yellow emitter: a hexanuclear copper iodide nanocluster.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5859","5868","10.1039/c9dt04701h","","","0.71073","MoKα","","0.0598","0.0536","","","0.1263","0.1304","","","","","","1.082","","","","has coordinates","252814","2020-10-21","18:00:00",""
"7703949","11.3684","0.0011","15.6863","0.0016","18.5667","0.0012","90","","90","","90","","3311","0.5","156","2","156.15","","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C64 H96 Mg Na2 O8 -","- C64 H96 Mg Na2 O8 -","- C128 H192 Mg2 Na4 O16 -","2","0.25","","Yeardley, Callum; Kennedy, Alan R.; Gros, Philippe C.; Touchet, Sabrina; Fairley, Michael; McLellan, Ross; Martínez-Martínez, Antonio J; O'Hara, Charles T","Structural and metal-halogen exchange reactivity studies of sodium magnesiate biphenolate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5257","5263","10.1039/d0dt00904k","","","0.71073","MoKα","","0.0513","0.0426","","","0.1066","0.1128","","","","","","1.043","","","","has coordinates,has disorder","251615","2020-10-21","18:00:00",""
"7703950","13.3331","0.0001","13.3331","0.0001","37.0015","0.0005","90","","90","","90","","6577.81","0.11","123.05","0.1","123.05","0.1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C65.6 H99.2 Na4 O8.4 -","- C65.6 H99.2 Na4 O8.4 -","- C262.4 H396.8 Na16 O33.6 -","4","0.5","","Yeardley, Callum; Kennedy, Alan R.; Gros, Philippe C.; Touchet, Sabrina; Fairley, Michael; McLellan, Ross; Martínez-Martínez, Antonio J; O'Hara, Charles T","Structural and metal-halogen exchange reactivity studies of sodium magnesiate biphenolate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5257","5263","10.1039/d0dt00904k","","x-ray","1.54184","CuKα","","0.047","0.0453","","","0.1348","0.1365","","","","","","1.069","","","","has coordinates,has disorder","251615","2020-10-21","18:00:00",""
"7703951","12.9924","0.0003","14.0108","0.0003","15.4464","0.0005","90","","100.04","0.003","90","","2768.71","0.13","123.25","0.1","123.25","0.1","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C50 H96 Mg N6 Na2 O2 -","- C50 H96 Mg N6 Na2 O2 -","- C100 H192 Mg2 N12 Na4 O4 -","2","1","","Yeardley, Callum; Kennedy, Alan R.; Gros, Philippe C.; Touchet, Sabrina; Fairley, Michael; McLellan, Ross; Martínez-Martínez, Antonio J; O'Hara, Charles T","Structural and metal-halogen exchange reactivity studies of sodium magnesiate biphenolate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5257","5263","10.1039/d0dt00904k","","x-ray","1.54184","CuKα","","0.0773","0.0713","","","0.1806","0.1896","","","","","","1.038","","","","has coordinates,has disorder","251615","2020-10-21","18:00:00",""
"7703952","12.9288","0.0003","9.5177","0.0002","18.2171","0.0005","90","","108.78","0.001","90","","2122.32","0.09","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Co I2 N3 O -","- C19 H19 Co I2 N3 O -","- C76 H76 Co4 I8 N12 O4 -","4","1","","Anjana, S. S.; Varghese, B.; Murthy, Narasimha N.","Coligand modulated oxidative O-demethylation of a methyl ether appended tetradentate N-ligand in Co(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3187","3197","10.1039/c9dt04609g","","","0.71073","MoKα","","0.0356","0.0273","","","0.0607","0.0654","","","","","","1.062","","","","has coordinates,has disorder","250132","2020-10-21","18:00:00",""
"7703953","9.636","0.0003","13.9208","0.0004","15.4915","0.0005","90","","90","","90","","2078.04","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Cl2 Mn N3 O1.5 -","- C19 H19 Cl2 Mn N3 O1.5 -","- C76 H76 Cl8 Mn4 N12 O6 -","4","1","","Anjana, S. S.; Varghese, B.; Murthy, Narasimha N.","Coligand modulated oxidative O-demethylation of a methyl ether appended tetradentate N-ligand in Co(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3187","3197","10.1039/c9dt04609g","","","0.71073","MoKα","","0.0285","0.0242","","","0.0544","0.0564","","","","","","1.038","","","","has coordinates","250132","2020-10-21","18:00:00",""
"7703954","16.073","0.0004","16.52","0.0004","16.853","0.0004","90","","90","","90","","4474.91","0.19","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36.73 H43.09 Cl0.64 Co2 I1.36 N6.36 O8 -","- C36.728 H43.092 Cl0.637 Co2 I1.362 N6.364 O8 -","- C146.912 H172.368 Cl2.548 Co8 I5.448 N25.456 O32 -","4","0.5","","Anjana, S. S.; Varghese, B.; Murthy, Narasimha N.","Coligand modulated oxidative O-demethylation of a methyl ether appended tetradentate N-ligand in Co(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3187","3197","10.1039/c9dt04609g","","","0.71073","MoKα","","0.0777","0.0596","","","0.1827","0.1988","","","","","","1.08","","","","has coordinates,has disorder","250132","2020-10-21","18:00:00",""
"7703955","10.8936","0.0005","19.2866","0.001","13.2468","0.0006","90","","112.981","0.002","90","","2562.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 Cl2 Co N3 O12 -","- C19 H25 Cl2 Co N3 O12 -","- C76 H100 Cl8 Co4 N12 O48 -","4","1","","Anjana, S. S.; Varghese, B.; Murthy, Narasimha N.","Coligand modulated oxidative O-demethylation of a methyl ether appended tetradentate N-ligand in Co(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3187","3197","10.1039/c9dt04609g","","","0.71073","MoKα","","0.0657","0.0401","","","0.1019","0.1233","","","","","","1.083","","","","has coordinates,has disorder","250132","2020-10-21","18:00:00",""
"7703956","9.0682","0.0003","11.6181","0.0004","12.1412","0.0004","103.087","0.001","104.193","0.001","90.194","0.001","1205.53","0.07","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H21 Cl Co I N3 O6 -","- C19 H21 Cl Co I N3 O6 -","- C38 H42 Cl2 Co2 I2 N6 O12 -","2","1","","Anjana, S. S.; Varghese, B.; Murthy, Narasimha N.","Coligand modulated oxidative O-demethylation of a methyl ether appended tetradentate N-ligand in Co(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3187","3197","10.1039/c9dt04609g","","","0.71073","MoKα","","0.0383","0.0321","","","0.0815","0.0877","","","","","","1.049","","","","has coordinates,has disorder","250132","2020-10-21","18:00:00",""
"7703957","9.5758","0.0002","13.8028","0.0003","15.2197","0.0002","90","","90","","90","","2011.63","0.07","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Cl2 Co N3 O1.5 -","- C19 H19 Cl2 Co N3 O1.5 -","- C76 H76 Cl8 Co4 N12 O6 -","4","1","","Anjana, S. S.; Varghese, B.; Murthy, Narasimha N.","Coligand modulated oxidative O-demethylation of a methyl ether appended tetradentate N-ligand in Co(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3187","3197","10.1039/c9dt04609g","","","0.71073","MoKα","","0.023","0.0207","","","0.0514","0.0523","","","","","","1.039","","","","has coordinates","250132","2020-10-21","18:00:00",""
"7703958","13.7658","0.0005","15.0676","0.0006","8.9198","0.0003","90","","90","","90","","1850.12","0.12","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H18 Cl2 Co N3 O2 -","- C18 H18 Cl2 Co N3 O2 -","- C72 H72 Cl8 Co4 N12 O8 -","4","1","","Anjana, S. S.; Varghese, B.; Murthy, Narasimha N.","Coligand modulated oxidative O-demethylation of a methyl ether appended tetradentate N-ligand in Co(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3187","3197","10.1039/c9dt04609g","","","0.71073","MoKα","","0.0271","0.0245","","","0.0599","0.0615","","","","","","1.054","","","","has coordinates","250132","2020-10-21","18:00:00",""
"7703959","7.29913","0.00016","15.8333","0.0003","8.64504","0.00018","90","","90","","90","","999.1","0.04","297","","297","","","","","","","","","4","P n m a","-P 2ac 2n","62","Strontium Europium Oxide Borate","Sr3Eu2B4O12","","- B4 Eu2.001 O12 Sr3.001 -","- B4 Eu2.001 O12 Sr3.001 -","- B16 Eu8.004 O48 Sr12.004 -","4","0.5","","Li, Gui-Hua; Yang, Nian; Guo, Jian-Gang; Wang, Zheng-Liang; Cai, Ge-Mei; Wang, Xiao-Jun","Efficient and stable Sr<sub>3</sub>Eu<sub>2</sub>B<sub>4</sub>O<sub>12</sub> red phosphor benefiting from low symmetry and distorted local environment.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3260","3271","10.1039/c9dt04769g","powder diffraction","","1.5418","CuKα","","","","","","","","","6.7604","2.05","","","","","","","has coordinates","250133","2020-10-21","18:00:00",""
"7703960","13.48","0.008","17.68","0.005","22.61","0.004","90","","92.636","0.01","90","","5383","4","100","1","100","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H45 F12 N11 O P2 Ru2 S -","- C50 H45 F12 N11 O P2 Ru2 S -","- C200 H180 F48 N44 O4 P8 Ru8 S4 -","4","1","","Domínguez, Sofía E; Pieslinger, German E.; Sanchez-Merlinsky, Luciano; Baraldo, Luis M.","Does geometry matter? Effect of the ligand position in bimetallic ruthenium polypyridine siblings.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4125","4135","10.1039/d0dt00040j","","","0.82602","synchrotron","","0.0573","0.0508","","","0.1188","0.1224","","","","","","1.088","","","","has coordinates,has disorder","250134","2020-10-21","18:00:00",""
"7703961","18.9555","0.0007","12.7596","0.0006","19.0307","0.0006","90","","91.243","0.004","90","","4601.8","0.3","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C67 H126 N4 O29 Ti8 -","- C64 H118 N4 O28 Ti8 -","- C128 H236 N8 O56 Ti16 -","2","0.5","","Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Jian; Zhang, Lei","Synergistic ligand effect for the construction of titanium-oxo clusters with planar chirality and high solution stability.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4030","4033","10.1039/d0dt00197j","","","0.71073","MoKα","","0.1116","0.0946","","","0.2823","0.3003","","","","","","1.095","","","","has coordinates","250135","2020-10-21","18:00:00",""
"7703962","13.686","0.002","25.029","0.004","25.781","0.005","90","","90","","90","","8831","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H110 N6 O30 Ti9 -","- C62 H109 N6 O30 Ti9 -","- C248 H436 N24 O120 Ti36 -","4","1","","Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Jian; Zhang, Lei","Synergistic ligand effect for the construction of titanium-oxo clusters with planar chirality and high solution stability.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4030","4033","10.1039/d0dt00197j","","","0.71073","MoKα","","0.0637","0.0618","","","0.1646","0.1669","","","","","","1.045","","","","has coordinates","250135","2020-10-21","18:00:00",""
"7703963","13.6676","0.0002","25.0164","0.0004","25.7877","0.0003","90","","90","","90","","8817.2","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H110 N6 O30 Ti9 -","- C62 H110 N6 O30 Ti9 -","- C248 H440 N24 O120 Ti36 -","4","1","","Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Jian; Zhang, Lei","Synergistic ligand effect for the construction of titanium-oxo clusters with planar chirality and high solution stability.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4030","4033","10.1039/d0dt00197j","","","0.71073","MoKα","","0.0561","0.0486","","","0.1283","0.1333","","","","","","1.029","","","","has coordinates","250135","2020-10-21","18:00:00",""
"7703964","13.4809","0.0005","24.6175","0.0006","25.6441","0.0007","90","","90","","90","","8510.4","0.4","100","0.3","100","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H110 N6 O30 Ti9 -","- C62 H110 N6 O30 Ti9 -","- C248 H440 N24 O120 Ti36 -","4","1","","Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Jian; Zhang, Lei","Synergistic ligand effect for the construction of titanium-oxo clusters with planar chirality and high solution stability.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4030","4033","10.1039/d0dt00197j","","x-ray","1.54184","CuKα","","0.0651","0.0523","","","0.1251","0.137","","","","","","1.072","","","","has coordinates","250135","2020-10-21","18:00:00",""
"7703965","17.0355","0.0004","19.0161","0.0007","52.224","0.002","90","","90","","90","","16917.9","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H110 N6 O30 Ti9 -","- C56 H110 N6 O30 Ti9 -","- C448 H880 N48 O240 Ti72 -","8","1","","Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Jian; Zhang, Lei","Synergistic ligand effect for the construction of titanium-oxo clusters with planar chirality and high solution stability.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4030","4033","10.1039/d0dt00197j","","","0.71073","MoKα","","0.1392","0.1088","","","0.2903","0.3093","","","","","","1.042","","","","has coordinates","250135","2020-10-21","18:00:00",""
"7703966","16.191","0.012","16.55","0.012","18.984","0.012","93.273","0.01","95.531","0.006","119.23","0.009","4387","5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H106 N6 O30 Ti9 -","- C56 H106 N6 O30 Ti9 -","- C112 H212 N12 O60 Ti18 -","2","1","","Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Jian; Zhang, Lei","Synergistic ligand effect for the construction of titanium-oxo clusters with planar chirality and high solution stability.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4030","4033","10.1039/d0dt00197j","","","0.71073","MoKα","","0.1258","0.1035","","","0.2927","0.3141","","","","","","1.083","","","","has coordinates","250135","2020-10-21","18:00:00",""
"7703967","12.3641","0.0007","13.154","0.0008","16.321","0.0011","94.343","0.002","100.65","0.002","98.303","0.002","2567","0.3","120","2","119.88","","","","","","","","","6","P -1","-P 1","2","","","","- C124 H90 Cl4 Dy2 N4 O14 -","- C124 H90 Cl4 Dy2 N4 O14 -","- C124 H90 Cl4 Dy2 N4 O14 -","1","0.5","","Wu, Si-Guo; Zhan, Chang-Ye; Huang, Guo-Zhang; Ruan, Ze-Yu; Liu, Jun-Liang; Tong, Ming-Liang","Slow magnetic dynamics in centrosymmetric didysprosium and equilateral triangular tridysprosium molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4164","4171","10.1039/d0dt00481b","","","0.71073","MoKα","","0.0947","0.0586","","","0.1279","0.1432","","","","","","1.035","","","","has coordinates","250136","2020-10-21","18:00:00",""
"7703968","22.1474","0.0008","22.1474","0.0008","45.8653","0.0018","90","","90","","120","","19483.2","1.3","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C139 H115 Cl6 Dy3 N6 O19 -","- C136 H101 Dy3 N6 O15 -","- C816 H605.998 Dy18 N36 O90 -","6","0.333333","","Wu, Si-Guo; Zhan, Chang-Ye; Huang, Guo-Zhang; Ruan, Ze-Yu; Liu, Jun-Liang; Tong, Ming-Liang","Slow magnetic dynamics in centrosymmetric didysprosium and equilateral triangular tridysprosium molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4164","4171","10.1039/d0dt00481b","","","0.71073","MoKα","","0.0783","0.0526","","","0.1493","0.1645","","","","","","1.063","","","","has coordinates,has disorder","250136","2020-10-21","18:00:00",""
"7703969","22.7108","0.0008","25.6088","0.0011","15.9567","0.0006","90","","134.64","","90","","6603.3","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N5 O7 Zn -","- C26 H22 N5 O7 Zn -","- C208 H176 N40 O56 Zn8 -","8","1","","Guo, Xiang-Guang; Su, Jia; Xie, Wen-Qi; Ni, Shuai-Nan; Gao, Yun; Su, Xiang; Sun, Xiao-Qi","Selective Th(iv) capture from a new metal-organic framework with O<sup>-</sup> groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4060","4066","10.1039/c9dt04912f","","","0.71073","MoKα","","0.0763","0.0714","","","0.1961","0.1986","","","","","","1.401","","","","has coordinates","250137","2020-10-21","18:00:00",""
"7703970","18.4319","0.0011","8.4812","0.0005","10.0288","0.0005","90","","100.191","0.004","90","","1543.01","0.15","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H25 K N O9 P S -","- C6 H25 K N O9 P S -","- C24 H100 K4 N4 O36 P4 S4 -","4","1","","Taschner, Ian S.; Aubuchon, Ethan; Schrage, Briana R.; Ziegler, Christopher J.; van der Est, Art","Synthesis and structural studies of copper(ii) complex with N<sub>2</sub>S<sub>2</sub> based N-substituted pendant phosphonic acid arms.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3545","3552","10.1039/c9dt04869c","","","0.71073","MoKα","","0.0743","0.0452","","","0.088","0.1008","","","","","","1.018","","","","has coordinates","250138","2020-10-21","18:00:00",""
"7703971","18.4749","0.0004","8.1865","0.0002","21.1388","0.0005","90","","90","","90","","3197.13","0.13","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H20 Mn N3 O7 -","- C12 H20 Mn N3 O7 -","- C96 H160 Mn8 N24 O56 -","8","1","","Mandal, Arnab; Dasgupta, Sanchari; Adhikary, Amit; Samanta, Debabrata; Zangrando, Ennio; Das, Debasis","Synthesis of Mn<sub>3</sub>O<sub>4</sub> nanozymes from structurally characterized phenoxazinone synthase models based on manganese(iii) Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5999","6011","10.1039/d0dt00355g","","","0.71073","MoKα","","0.056","0.0435","","","0.1015","0.1093","","","","","","1.025","","","","has coordinates,has disorder","252822","2020-10-21","18:00:00",""
"7703972","14.004","0.002","14.366","0.002","14.52","0.003","67.61","0.03","61.177","0.017","78.511","0.019","2365.9","0.9","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H49 Mn3 N9 O6.75 S3 -","- C39 H49 Mn3 N9 O6.75 S3 -","- C78 H98 Mn6 N18 O13.5 S6 -","2","1","","Mandal, Arnab; Dasgupta, Sanchari; Adhikary, Amit; Samanta, Debabrata; Zangrando, Ennio; Das, Debasis","Synthesis of Mn<sub>3</sub>O<sub>4</sub> nanozymes from structurally characterized phenoxazinone synthase models based on manganese(iii) Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5999","6011","10.1039/d0dt00355g","","","0.71073","MoKα","","0.2359","0.0987","","","0.229","0.2776","","","","","","0.983","","","","has coordinates","252822","2020-10-21","18:00:00",""
"7703973","18.4286","0.0004","7.767","0.0002","20.6985","0.0005","90","","90","","90","","2962.68","0.12","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H20 Cl Mn N2 O4 -","- C12 H20 Cl Mn N2 O4 -","- C96 H160 Cl8 Mn8 N16 O32 -","8","1","","Mandal, Arnab; Dasgupta, Sanchari; Adhikary, Amit; Samanta, Debabrata; Zangrando, Ennio; Das, Debasis","Synthesis of Mn<sub>3</sub>O<sub>4</sub> nanozymes from structurally characterized phenoxazinone synthase models based on manganese(iii) Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5999","6011","10.1039/d0dt00355g","","","0.71073","MoKα","","0.0412","0.0281","","","0.0672","0.0728","","","","","","1.043","","","","has coordinates","252822","2020-10-21","18:00:00",""
"7703974","13.8316","0.0002","13.8316","0.0002","20.212","0.0004","90","","90","","90","","3866.82","0.11","173","0.1","173","0.1","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C8 H28 N4 O36 S6 Ti4 -","- C8 H28 N4 O36 S6 Ti4 -","- C32 H112 N16 O144 S24 Ti16 -","4","0.125","","Liu, Weiming; Liu, Caiyun; Wu, Wenli; Zhang, Guanyun; Zhang, Jian; Tung, Chen-Ho; Wang, Yifeng","Effects of organic ammonium cations on the isolation of {Ti<sub>4</sub>} cyclic clusters from water: an <sup>17</sup>O NMR study.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5957","5964","10.1039/d0dt00165a","","x-ray","1.54178","CuKα","","0.1047","0.0995","","","0.2233","0.2269","","","","","","1.129","","","","has coordinates,has disorder","252812","2020-10-21","18:00:00",""
"7703975","13.7675","0.0002","13.7675","0.0002","20.9391","0.0004","90","","90","","90","","3968.88","0.11","172.99","0.1","172.99","0.1","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C48 H192 N16 O144 S24 Ti16 -","- C48 H192 N16 O144 S24 Ti16 -","- C48 H192 N16 O144 S24 Ti16 -","1","0.03125","","Liu, Weiming; Liu, Caiyun; Wu, Wenli; Zhang, Guanyun; Zhang, Jian; Tung, Chen-Ho; Wang, Yifeng","Effects of organic ammonium cations on the isolation of {Ti<sub>4</sub>} cyclic clusters from water: an <sup>17</sup>O NMR study.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5957","5964","10.1039/d0dt00165a","","x-ray","1.54184","CuKα","","0.0901","0.0858","","","0.1855","0.1897","","","","","","1.228","","","","has coordinates,has disorder","252812","2020-10-21","18:00:00",""
"7703976","24.0919","0.0002","24.0919","0.0002","23.1592","0.0003","90","","90","","90","","13442.1","0.2","173","","173","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- H28 O50 S8 Ti4 -","- H8 O40 S8 Ti4 -","- H96 O480 S96 Ti48 -","12","0.75","","Liu, Weiming; Liu, Caiyun; Wu, Wenli; Zhang, Guanyun; Zhang, Jian; Tung, Chen-Ho; Wang, Yifeng","Effects of organic ammonium cations on the isolation of {Ti<sub>4</sub>} cyclic clusters from water: an <sup>17</sup>O NMR study.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5957","5964","10.1039/d0dt00165a","","","1.54184","CuKα","","0.0499","0.0439","","","0.1065","0.1175","","","","","","1.082","","","","has coordinates,has disorder","252812","2020-10-21","18:00:00",""
"7703977","15.4295","0.0004","17.3585","0.0005","18.1126","0.0004","109.769","0.002","90.193","0.002","109.105","0.002","4278.2","0.2","173","0.1","173","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C72 H224 Cl3 N18 O90 S17 Ti8 -","- C72 H224 Cl3 N18 O90 S17 Ti8 -","- C72 H224 Cl3 N18 O90 S17 Ti8 -","1","0.5","","Liu, Weiming; Liu, Caiyun; Wu, Wenli; Zhang, Guanyun; Zhang, Jian; Tung, Chen-Ho; Wang, Yifeng","Effects of organic ammonium cations on the isolation of {Ti<sub>4</sub>} cyclic clusters from water: an <sup>17</sup>O NMR study.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5957","5964","10.1039/d0dt00165a","","x-ray","1.54184","CuKα","","0.1876","0.1504","","","0.3949","0.4155","","","","","","1.045","","","","has coordinates,has disorder","252812","2020-10-21","18:00:00",""
"7703978","8.0951","0.0008","19.3688","0.0018","26.478","0.003","90","","93.395","0.002","90","","4144.3","0.7","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H54 Cl2 N6 O29 Zn2 -","- C21 H53.65 Cl2 N6 O29 Zn2 -","- C84 H214.6 Cl8 N24 O116 Zn8 -","4","1","","Aleshin, Gleb Yu; Egorova, Bayirta V.; Priselkova, Anna B.; Zamurueva, Lyubov S.; Khabirova, Sofia Yu; Zubenko, Anastasia D.; Karnoukhova, Valentina A.; Fedorova, Olga A.; Kalmykov, Stepan N.","Zinc and copper complexes with azacrown ethers and their comparative stability in vitro and in vivo.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6249","6258","10.1039/d0dt00645a","","","0.71073","MoKα","","0.1036","0.0571","","","0.1148","0.132","","","","","","1.019","","","","has coordinates,has disorder","252769","2020-10-21","18:00:00",""
"7703979","14.5419","0.0009","25.0959","0.0017","18.1368","0.0012","90","","90","","90","","6618.9","0.7","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H46 Mn3 N4 O14 -","- C58 H46 Mn3 N4 O14 -","- C232 H184 Mn12 N16 O56 -","4","0.5","","Bora, Sanchay J.; Paul, Rima; Dutta, Anurag; Goswami, Shyam; Guha, Ankur K.; Thakur, Ashim J.","Trinuclear Mn<sup>2+</sup>/Zn<sup>2+</sup> based microporous coordination polymers as efficient catalysts for ipso-hydroxylation of boronic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5454","5462","10.1039/d0dt00794c","","","0.71073","MoKα","","0.1049","0.0826","","","0.2459","0.2731","","","","","","1.05","","","","has coordinates","252760","2020-10-21","18:00:00",""
"7703980","14.5387","0.0004","25.0165","0.0008","18.1249","0.0007","90","","90","","90","","6592.2","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H46 N4 O14 Zn3 -","- C58 H46 N4 O14 Zn3 -","- C232 H184 N16 O56 Zn12 -","4","0.5","","Bora, Sanchay J.; Paul, Rima; Dutta, Anurag; Goswami, Shyam; Guha, Ankur K.; Thakur, Ashim J.","Trinuclear Mn<sup>2+</sup>/Zn<sup>2+</sup> based microporous coordination polymers as efficient catalysts for ipso-hydroxylation of boronic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5454","5462","10.1039/d0dt00794c","","","0.71073","MoKα","","0.0836","0.0583","","","0.1708","0.1843","","","","","","1.084","","","","has coordinates,has disorder","252760","2020-10-21","18:00:00",""
"7703981","28.6963","0.0003","28.6963","0.0003","33.2864","0.0006","90","","90","","90","","27410.6","0.6","223","2","223.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C63 H102 La N3 O6.5 -","- C63 H102 La N3 O6.5 -","- C1008 H1632 La16 N48 O104 -","16","1","","Shao, Jingjing; Zhou, Hairong; Wang, Yaorong; Luo, Yunjie; Yao, Yingming","Lanthanum complexes stabilized by a pentadentate Schiff-base ligand: synthesis, characterization, and reactivity in statistical copolymerization of ε-caprolactone and l-lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5842","5850","10.1039/d0dt00179a","","","0.71073","MoKα","","0.0724","0.0464","","","0.1174","0.1392","","","","","","1.104","","","","has coordinates,has disorder","252813","2020-10-21","18:00:00",""
"7703982","10.3685","0.0004","13.2339","0.0005","18.9841","0.0008","101.37","0.003","105.032","0.004","92.632","0.003","2453.41","0.18","223.15","","223.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H68 La N3 O4 -","- C42 H68 La N3 O4 -","- C84 H136 La2 N6 O8 -","2","1","","Shao, Jingjing; Zhou, Hairong; Wang, Yaorong; Luo, Yunjie; Yao, Yingming","Lanthanum complexes stabilized by a pentadentate Schiff-base ligand: synthesis, characterization, and reactivity in statistical copolymerization of ε-caprolactone and l-lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5842","5850","10.1039/d0dt00179a","","","0.71073","MoKα","","0.0532","0.042","","","0.098","0.1058","","","","","","1.055","","","","has coordinates,has disorder","252813","2020-10-21","18:00:00",""
"7703983","12.1234","0.0006","13.8634","0.0005","15.2486","0.0006","94.998","0.003","107.017","0.004","104.611","0.004","2335.25","0.19","223","2","223.15","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H74 La N3 O5 -","- C45 H74 La N3 O5 -","- C90 H148 La2 N6 O10 -","2","1","","Shao, Jingjing; Zhou, Hairong; Wang, Yaorong; Luo, Yunjie; Yao, Yingming","Lanthanum complexes stabilized by a pentadentate Schiff-base ligand: synthesis, characterization, and reactivity in statistical copolymerization of ε-caprolactone and l-lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5842","5850","10.1039/d0dt00179a","","","1.54184","CuKα","","0.0624","0.0528","","","0.1309","0.1416","","","","","","1.032","","","","has coordinates","252813","2020-10-21","18:00:00",""
"7703984","12.0092","0.0006","13.9383","0.0006","14.9998","0.0005","95.089","0.003","107.153","0.004","104.378","0.004","2288.12","0.19","223","2","223.15","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H144 La2 N6 O10 -","- C88 H144 La2 N6 O10 -","- C88 H144 La2 N6 O10 -","1","0.5","","Shao, Jingjing; Zhou, Hairong; Wang, Yaorong; Luo, Yunjie; Yao, Yingming","Lanthanum complexes stabilized by a pentadentate Schiff-base ligand: synthesis, characterization, and reactivity in statistical copolymerization of ε-caprolactone and l-lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5842","5850","10.1039/d0dt00179a","","","0.71073","MoKα","","0.1096","0.0944","","","0.2344","0.26","","","","","","1.089","","","","has coordinates,has disorder","252813","2020-10-21","18:00:00",""
"7703985","12.9998","0.0005","14.5735","0.0005","15.2374","0.0007","114.717","0.004","101.976","0.004","104.959","0.003","2364.1","0.2","223","2","223.15","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H70 La N3 O4.5 -","- C47 H70 La N3 O4.5 -","- C94 H140 La2 N6 O9 -","2","1","","Shao, Jingjing; Zhou, Hairong; Wang, Yaorong; Luo, Yunjie; Yao, Yingming","Lanthanum complexes stabilized by a pentadentate Schiff-base ligand: synthesis, characterization, and reactivity in statistical copolymerization of ε-caprolactone and l-lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5842","5850","10.1039/d0dt00179a","","","0.71073","MoKα","","0.054","0.0419","","","0.1049","0.114","","","","","","1.069","","","","has coordinates,has disorder","252813","2020-10-21","18:00:00",""
"7703986","14.273","0.0003","14.273","0.0003","13.9589","0.0003","90","","90","","90","","2843.69","0.1","293","2","293","2","","","","","","","","6","P 42","P 4c","77","","","","- C48 H56 Cu4 N8 O16 S4 -","- C48 H56 Cu4 N8 O16 S4 -","- C96 H112 Cu8 N16 O32 S8 -","2","0.5","","Zhang, Pei-Lu; Hou, Xiao-Xiao; Liu, Mei-Rong; Huang, Fu-Ping; Qin, Xiu-Ying","Two novel chiral tetranucleate copper-based complexes: crystal structures, nanoparticles, and inhibiting angiogenesis and the growth of human breast cancer by regulating the VEGF/VEGFR2 signal pathway in vitro.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6043","6055","10.1039/d0dt00380h","","x-ray","0.71073","MoKα","","0.0765","0.0512","","","0.1435","0.1676","","","","","","1.079","","","","has coordinates,has disorder","252820","2020-10-21","18:00:00",""
"7703987","10.1515","0.0003","13.6106","0.0004","22.1971","0.0009","85.732","0.003","84.872","0.003","85.986","0.002","3039.98","0.18","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C48 H56 Br4 Cl4 Cu4 N4 O10 S4 -","- C48 H56 Br4 Cl4 Cu4 N4 O10 S4 -","- C96 H112 Br8 Cl8 Cu8 N8 O20 S8 -","2","2","","Zhang, Pei-Lu; Hou, Xiao-Xiao; Liu, Mei-Rong; Huang, Fu-Ping; Qin, Xiu-Ying","Two novel chiral tetranucleate copper-based complexes: crystal structures, nanoparticles, and inhibiting angiogenesis and the growth of human breast cancer by regulating the VEGF/VEGFR2 signal pathway in vitro.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6043","6055","10.1039/d0dt00380h","","x-ray","0.71073","MoKα","","0.0939","0.0614","","","0.1514","0.181","","","","","","1.042","","","","has coordinates","295677","2024-10-30","18:34:33",""
"7703988","11.8593","0.0006","14.5737","0.0007","18.897","0.001","80.335","0.004","74.598","0.004","69.591","0.004","2940.8","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H88 Ge4 K2 N6 O12 Zn2 -","- C40 H88 Ge4 K2 N6 O12 Zn2 -","- C80 H176 Ge8 K4 N12 O24 Zn4 -","2","1","","Wallach, C.; Mayer, K.; Henneberger, T.; Klein, W.; Fässler, T F","Intermediates and products of the reaction of Zn(ii) organyls with tetrel element Zintl ions: cluster extension versus complexation.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6191","6198","10.1039/d0dt01096k","","","0.71073","MoKα","","0.0425","0.0259","","","0.0527","0.0571","","","","","","0.965","","","","has coordinates,has disorder","252774","2020-10-21","18:00:00",""
"7703989","9.6916","0.0006","12.2418","0.0007","18.6684","0.0008","99.12","0.004","90.067","0.004","94.894","0.005","2178.7","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- H48 K6 N16 Sn8 Zn -","- H48 K6 N16 Sn8 Zn -","- H96 K12 N32 Sn16 Zn2 -","2","1","","Wallach, C.; Mayer, K.; Henneberger, T.; Klein, W.; Fässler, T F","Intermediates and products of the reaction of Zn(ii) organyls with tetrel element Zintl ions: cluster extension versus complexation.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6191","6198","10.1039/d0dt01096k","","","0.71073","MoKα","","0.0494","0.0322","","","0.0667","0.0694","","","","","","0.919","","","","has coordinates","252774","2020-10-21","18:00:00",""
"7703990","11.963","0.005","12.328","0.005","12.683","0.006","107.43","0.04","106.66","0.04","104.16","0.03","1594","1.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H96 K2 N10 O12 Zn2 -","- C48 H96 K2 N10 O12 Zn2 -","- C48 H96 K2 N10 O12 Zn2 -","1","0.5","","Wallach, C.; Mayer, K.; Henneberger, T.; Klein, W.; Fässler, T F","Intermediates and products of the reaction of Zn(ii) organyls with tetrel element Zintl ions: cluster extension versus complexation.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6191","6198","10.1039/d0dt01096k","","","0.71073","MoKα","","0.1097","0.051","","","0.1003","0.1106","","","","","","0.768","","","","has coordinates","252774","2020-10-21","18:00:00",""
"7703991","21.842","0.002","7.2588","0.0015","18.322","0.003","90","","90","","90","","2904.9","0.8","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H39 K0.84 O6 Rb0.16 Zn -","- C30 H39 K0.843 O6 Rb0.157 Zn -","- C120 H156 K3.372 O24 Rb0.628 Zn4 -","4","1","","Wallach, C.; Mayer, K.; Henneberger, T.; Klein, W.; Fässler, T F","Intermediates and products of the reaction of Zn(ii) organyls with tetrel element Zintl ions: cluster extension versus complexation.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6191","6198","10.1039/d0dt01096k","","","0.71073","MoKα","","0.1647","0.054","","","0.0902","0.1059","","","","","","0.655","","","","has coordinates","252774","2020-10-21","18:00:00",""
"7703992","15.757","0.0005","13.1722","0.0005","23.6712","0.0008","90","","94.486","0.003","90","","4898","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H76 K N O8 Zn -","- C47 H76 K N O8 Zn -","- C188 H304 K4 N4 O32 Zn4 -","4","1","","Wallach, C.; Mayer, K.; Henneberger, T.; Klein, W.; Fässler, T F","Intermediates and products of the reaction of Zn(ii) organyls with tetrel element Zintl ions: cluster extension versus complexation.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6191","6198","10.1039/d0dt01096k","","","0.71073","MoKα","","0.095","0.0455","","","0.1018","0.1107","","","","","","0.84","","","","has coordinates,has disorder","252774","2020-10-21","18:00:00",""
"7703993","14.6139","0.0007","14.9181","0.0006","23.6002","0.0008","97.552","0.003","91.645","0.003","117.312","0.003","4508.7","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H135.22 Ge9 K3 N13.4 O18 Zn -","- C56 H135.164 Ge9 K3 N13.388 O18 Zn -","- C112 H270.328 Ge18 K6 N26.776 O36 Zn2 -","2","1","","Wallach, C.; Mayer, K.; Henneberger, T.; Klein, W.; Fässler, T F","Intermediates and products of the reaction of Zn(ii) organyls with tetrel element Zintl ions: cluster extension versus complexation.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6191","6198","10.1039/d0dt01096k","","","0.71073","MoKα","","0.0793","0.0509","","","0.121","0.1374","","","","","","1.022","","","","has coordinates","252774","2020-10-21","18:00:00",""
"7703994","11.554","0.002","14.14","0.003","18.988","0.004","89.02","0.03","77.37","0.03","87.11","0.03","3023.2","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H99 K2 N13 O12 Zn5 -","- C32 H99 K2 N13 O12 Zn5 -","- C64 H198 K4 N26 O24 Zn10 -","2","1","","Wallach, C.; Mayer, K.; Henneberger, T.; Klein, W.; Fässler, T F","Intermediates and products of the reaction of Zn(ii) organyls with tetrel element Zintl ions: cluster extension versus complexation.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6191","6198","10.1039/d0dt01096k","","","0.71073","MoKα","","0.034","0.0267","","","0.0613","0.0668","","","","","","1.104","","","","has coordinates","252774","2020-10-21","18:00:00",""
"7703995","10.191","0.0002","16.1458","0.0003","32.8773","0.0009","90","","90","","90","","5409.7","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H45 K N2 O6 -","- C22 H45 K N2 O6 -","- C176 H360 K8 N16 O48 -","8","1","","Wallach, C.; Mayer, K.; Henneberger, T.; Klein, W.; Fässler, T F","Intermediates and products of the reaction of Zn(ii) organyls with tetrel element Zintl ions: cluster extension versus complexation.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6191","6198","10.1039/d0dt01096k","","","0.71073","MoKα","","0.0422","0.0353","","","0.0939","0.0987","","","","","","1.021","","","","has coordinates","252774","2020-10-21","18:00:00",""
"7703996","8.2136","0.0008","9.9605","0.0009","15.7811","0.0012","76.15","0.002","79.874","0.003","71.854","0.001","1184","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 Cl Ir N O3 -","- C27 H27 Cl Ir N O3 -","- C54 H54 Cl2 Ir2 N2 O6 -","2","1","","Liu, Cong; Liu, Xicheng; Ge, Xingxing; Wang, Qinghui; Zhang, Lei; Shang, Wenjing; Zhang, Yue; Yuan, Xiang Ai; Tian, Laijin; Liu, Zhe; You, Jinmao","Fluorescent iridium(iii) coumarin-salicylaldehyde Schiff base compounds as lysosome-targeted antitumor agents.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5988","5998","10.1039/d0dt00627k","","","0.71073","MoKα","","0.0584","0.0492","","","0.1306","0.1378","","","","","","1.052","","","","has coordinates","252807","2020-10-21","18:00:00",""
"7703997","13.4707","0.0011","19.1603","0.0016","10.0964","0.0009","90","","104.571","0.002","90","","2522.1","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Cl F3 Ir N O3 -","- C27 H24 Cl F3 Ir N O3 -","- C108 H96 Cl4 F12 Ir4 N4 O12 -","4","1","","Liu, Cong; Liu, Xicheng; Ge, Xingxing; Wang, Qinghui; Zhang, Lei; Shang, Wenjing; Zhang, Yue; Yuan, Xiang Ai; Tian, Laijin; Liu, Zhe; You, Jinmao","Fluorescent iridium(iii) coumarin-salicylaldehyde Schiff base compounds as lysosome-targeted antitumor agents.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5988","5998","10.1039/d0dt00627k","","","0.71073","MoKα","","0.0357","0.0253","","","0.0564","0.0599","","","","","","1.058","","","","has coordinates","252807","2020-10-21","18:00:00",""
"7703998","14.7064","0.0006","14.7064","0.0006","14.7064","0.0006","90","","90","","90","","3180.7","0.2","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- Ag2 Ba6 Mn S16 Sn4 -","- Ag1.9998 Ba6 Mn0.9999 S16 Sn4 -","- Ag7.9992 Ba24 Mn3.9996 S64 Sn16 -","4","0.0833333","","Duan, Ruihuan; Lin, Hua; Wang, Yue; Zhou, Yuqiao; Wu, Liming","Non-centrosymmetric sulfides A<sub>2</sub>Ba<sub>6</sub>MnSn<sub>4</sub>S<sub>16</sub> (A = Li, Ag): syntheses, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5914","5920","10.1039/d0dt00894j","","","0.71073","MoKα","","0.0093","0.0093","","","0.0232","0.0232","","","","","","1.023","","","","has coordinates","252823","2020-10-21","18:00:00",""
"7703999","14.608","0.0005","14.608","0.0005","14.608","0.0005","90","","90","","90","","3117.25","0.18","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- Ba6 Li2 Mn S16 Sn4 -","- Ba6 Li2.04 Mn0.969 S16 Sn4 -","- Ba24 Li8.16 Mn3.876 S64 Sn16 -","4","0.0833333","","Duan, Ruihuan; Lin, Hua; Wang, Yue; Zhou, Yuqiao; Wu, Liming","Non-centrosymmetric sulfides A<sub>2</sub>Ba<sub>6</sub>MnSn<sub>4</sub>S<sub>16</sub> (A = Li, Ag): syntheses, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5914","5920","10.1039/d0dt00894j","","","0.71073","MoKα","","0.0122","0.0121","","","0.0279","0.028","","","","","","1.014","","","","has coordinates,has disorder","252823","2020-10-21","18:00:00",""
"7704000","9.8575","0.0005","18.2757","0.0008","19.2762","0.0009","90","","96.23","0.002","90","","3452.2","0.3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 F3 N2 O5 P Ru S -","- C37 H32 F3 N2 O5 P Ru S -","- C148 H128 F12 N8 O20 P4 Ru4 S4 -","4","1","","Franco Machado, João; Machuqueiro, Miguel; Marques, Fernanda; Robalo, M. Paula; Piedade, M Fátima M; Garcia, M. Helena; Correia, João D G; Morais, Tânia S","Novel ""ruthenium cyclopentadienyl""-peptide conjugate complexes against human FGFR(+) breast cancer.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5974","5987","10.1039/d0dt00955e","","","0.71073","MoKα","","0.0423","0.0296","","","0.0642","0.0689","","","","","","1.015","","","","has coordinates","252821","2020-10-21","18:00:00",""
"7704001","10.5328","0.0008","12.322","0.0008","24.8165","0.0018","90","","95.282","0.004","90","","3207.1","0.4","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 F3 N2 O5 P Ru S -","- C35 H28 F3 N2 O5 P Ru S -","- C140 H112 F12 N8 O20 P4 Ru4 S4 -","4","1","","Franco Machado, João; Machuqueiro, Miguel; Marques, Fernanda; Robalo, M. Paula; Piedade, M Fátima M; Garcia, M. Helena; Correia, João D G; Morais, Tânia S","Novel ""ruthenium cyclopentadienyl""-peptide conjugate complexes against human FGFR(+) breast cancer.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5974","5987","10.1039/d0dt00955e","","","0.71073","MoKα","","0.0499","0.0347","","","0.0738","0.0802","","","","","","1.014","","","","has coordinates","252821","2020-10-21","18:00:00",""
"7704002","8.4643","0.0004","8.9107","0.0004","9.5","0.0005","114.489","0.001","106.946","0.002","90.151","0.002","617.44","0.05","100","","100","","","","","","","","","5","P 1","P 1","1","","4-bromo-octadecaborane","","- C12 H34 B18 Br0.94 Cl0.2 -","- C12 H34 B18 Br0.941 Cl0.1983 -","- C12 H34 B18 Br0.941 Cl0.1983 -","1","1","","Anderson, Kierstyn P.; Waddington, Mary A.; Balaich, Gary J.; Stauber, Julia M.; Bernier, Nicholas A.; Caram, Justin R.; Djurovich, Peter I.; Spokoyny, Alexander M.","A molecular boron cluster-based chromophore with dual emission.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16245","16251","10.1039/d0dt00826e","","","0.71073","MoKα","","0.0362","0.033","","","0.0804","0.0817","","","","","","1.067","","","","has coordinates,has disorder","260777","2021-01-07","06:28:13",""
"7704003","11.154","0.01","16.19","0.014","12.03","0.011","90","","103.248","0.012","90","","2115","3","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 B2 Co N12 S6 W2 -","- C30 H44 B2 Co N12 S6 W2 -","- C60 H88 B4 Co2 N24 S12 W4 -","2","0.5","","Guo, Jia-Ting; Chen, Xu-Dong","Templated syntheses of heterometal tungsten-cobalt-sulfur clusters with different nuclearities.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5523","5530","10.1039/d0dt00765j","","","0.71073","MoKα","","0.059","0.0331","","","0.0609","0.0684","","","","","","1.021","","","","has coordinates","252761","2020-10-21","18:00:00",""
"7704004","11.3792","0.0001","14.4818","0.0002","31.9209","0.0003","90","","90.496","0.001","90","","5260.09","0.1","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H67 B2 Co N14 S6 W2 -","- C40 H67 B2 Co N14 S6 W2 -","- C160 H268 B8 Co4 N56 S24 W8 -","4","1","","Guo, Jia-Ting; Chen, Xu-Dong","Templated syntheses of heterometal tungsten-cobalt-sulfur clusters with different nuclearities.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5523","5530","10.1039/d0dt00765j","","","1.54178","CuKα","","0.0471","0.0382","","","0.0976","0.1018","","","","","","1.039","","","","has coordinates","252761","2020-10-21","18:00:00",""
"7704005","12.7233","0.0014","15.7004","0.0018","29.118","0.003","90","","93.167","0.002","90","","5807.8","1.1","296.15","","296.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C42 H70 B2 Cl Co2 N15 S6 W2 -","- C42 H70 B2 Cl Co2 N15 S6 W2 -","- C168 H280 B8 Cl4 Co8 N60 S24 W8 -","4","0.5","","Guo, Jia-Ting; Chen, Xu-Dong","Templated syntheses of heterometal tungsten-cobalt-sulfur clusters with different nuclearities.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5523","5530","10.1039/d0dt00765j","","x-ray","0.71073","MoKα","","0.046","0.0324","","","0.0733","0.0812","","","","","","1.07","","","","has coordinates,has disorder","252761","2020-10-21","18:00:00",""
"7704006","12.638","0.012","15.62","0.015","29.22","0.03","90","","92.876","0.013","90","","5761","10","296.15","","296.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C42 H70 B2 Cl0.5 Co1.5 N15 S6 W2 -","- C42 H70 B2 Cl0.5 Co1.5 N15 S6 W2 -","- C168 H280 B8 Cl2 Co6 N60 S24 W8 -","4","0.5","","Guo, Jia-Ting; Chen, Xu-Dong","Templated syntheses of heterometal tungsten-cobalt-sulfur clusters with different nuclearities.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5523","5530","10.1039/d0dt00765j","","","0.71073","MoKα","","0.0788","0.0436","","","0.0877","0.0999","","","","","","1.025","","","","has coordinates,has disorder","252761","2020-10-21","18:00:00",""
"7704007","11.9709","0.0003","17.0437","0.0003","20.5403","0.0004","112.024","0.002","95.703","0.002","100.406","0.002","3756.37","0.16","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C49 H89 B2 Cl2 Co4.5 N17 O6 S6 W2 -","- C49 H89 B2 Cl2 Co4.5 N17 O6 S6 W2 -","- C98 H178 B4 Cl4 Co9 N34 O12 S12 W4 -","2","1","","Guo, Jia-Ting; Chen, Xu-Dong","Templated syntheses of heterometal tungsten-cobalt-sulfur clusters with different nuclearities.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5523","5530","10.1039/d0dt00765j","","x-ray","1.54178","CuKα","","0.0742","0.0608","","","0.1689","0.1794","","","","","","1.092","","","","has coordinates,has disorder","252761","2020-10-21","18:00:00",""
"7704008","9.968","0.0005","13.4495","0.0006","21.0791","0.001","90","","90","","90","","2826","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 Al F36 Li O4.02 -","- C16 Al F36 Li O4.0202 -","- C64 Al4 F144 Li4 O16.0808 -","4","1","","Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo","Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7766","7773","10.1039/d0dt00592d","","","0.71073","MoKα","","0.0283","0.028","","","0.0737","0.0739","","","","","","1.156","","","","has coordinates,has disorder","253912","2020-10-21","18:00:00",""
"7704009","9.6213","0.0007","10.4768","0.0007","16.8127","0.0012","81.079","0.004","73.385","0.003","62.701","0.003","1442.53","0.18","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C16 Al F36 O4 Rb -","- C16 Al F36 O4 Rb -","- C32 Al2 F72 O8 Rb2 -","2","2","","Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo","Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7766","7773","10.1039/d0dt00592d","","","0.71073","MoKα","","0.0223","0.0217","","","0.0477","0.0478","","","","","","1.036","","","","has coordinates,has disorder","253912","2020-10-21","18:00:00",""
"7704010","17.1845","0.0018","17.4964","0.0018","18.6544","0.0019","105.94","0.002","105.366","0.002","113.601","0.002","4472.3","0.8","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C24 Al1.5 Cs1.5 F54 O6 -","- C24 Al1.5 Cs1.5 F54 O6 -","- C96 Al6 Cs6 F216 O24 -","4","4","","Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo","Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7766","7773","10.1039/d0dt00592d","","","0.71073","MoKα","","0.0804","0.0462","","","0.1071","0.1304","","","","","","1.043","","","","has coordinates","253912","2020-10-21","18:00:00",""
"7704011","23.8816","0.0011","12.9259","0.0006","20.6284","0.001","90","","115.546","0.002","90","","5745.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 Al F36 K O4 -","- C16 Al F36 K O4 -","- C128 Al8 F288 K8 O32 -","8","2","","Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo","Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7766","7773","10.1039/d0dt00592d","","","0.71073","MoKα","","0.0389","0.033","","","0.082","0.0847","","","","","","1.034","","","","has coordinates","253912","2020-10-21","18:00:00",""
"7704012","13.641","0.0008","10.1222","0.0006","21.3566","0.0013","90","","89.957","0.003","90","","2948.9","0.3","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 Al F36 Na O4 -","- C16 Al F36 Na O4 -","- C64 Al4 F144 Na4 O16 -","4","1","","Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo","Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7766","7773","10.1039/d0dt00592d","","","0.71073","MoKα","","0.0463","0.0378","","","0.1025","0.1115","","","","","","1.052","","","","has coordinates,has disorder","253912","2020-10-21","18:00:00",""
"7704013","9.6278","0.0004","10.5021","0.0004","16.867","0.0004","81.237","0.003","73.421","0.003","62.778","0.004","1453.04","0.1","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C16 H4 Al F36 N O4 -","- C16 H4 Al F36 N O4 -","- C32 H8 Al2 F72 N2 O8 -","2","2","","Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo","Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7766","7773","10.1039/d0dt00592d","","","1.54184","CuKα","","0.0564","0.0557","","","0.1498","0.1506","","","","","","1.056","","","","has coordinates","253912","2020-10-21","18:00:00",""
"7704014","10.5661","0.0005","10.7463","0.0004","22.2844","0.0008","82.6","0.003","87.1","0.003","61.46","0.004","2204.15","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 Ag0.04 Al2 Cu0.95 F55 O6 -","- C24 Ag0.0446 Al2 Cu0.9526 F55 O6 -","- C48 Ag0.0892 Al4 Cu1.9052 F110 O12 -","2","1","","Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo","Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7766","7773","10.1039/d0dt00592d","","","1.54184","CuKα","","0.0853","0.0719","","","0.1946","0.2131","","","","","","1.026","","","","has coordinates,has disorder","253912","2020-10-21","18:00:00",""
"7704015","9.645","0.0004","10.6675","0.0005","17.0803","0.0008","82.791","0.004","73.622","0.004","63.24","0.004","1505.47","0.13","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C16 H5 Al F36 N2 O4 -","- C16 H5.0199 Al F36 N2 O4 -","- C32 H10.0398 Al2 F72 N4 O8 -","2","2","","Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo","Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7766","7773","10.1039/d0dt00592d","","","1.54184","CuKα","","0.0454","0.0452","","","0.1194","0.1198","","","","","","1.034","","","","has coordinates,has disorder","253912","2020-10-21","18:00:00",""
"7704016","17.4972","0.0008","17.5074","0.0007","20.376","0.0009","91.583","0.002","91.488","0.002","105.979","0.002","5994.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H7 Al F36 N2 O4 -","- C16 H7 Al F36 N2 O4 -","- C128 H56 Al8 F288 N16 O32 -","8","4","","Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo","Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7766","7773","10.1039/d0dt00592d","","","0.71073","MoKα","","0.0549","0.0495","","","0.129","0.1336","","","","","","1.033","","","","has coordinates,has disorder","253912","2020-10-21","18:00:00",""
"7704017","21.7362","0.0002","31.2247","0.0002","33.096","0.0003","90","","107.891","0.001","90","","21376.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H8 Al Cs F36 O4 -","- C22.9999 H8 Al Cs0.99995 F35.9998 O3.99998 -","- C551.998 H192 Al24 Cs23.9988 F863.996 O95.9996 -","24","6","","Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo","Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7766","7773","10.1039/d0dt00592d","","","1.54184","CuKα","","0.0613","0.0562","","","0.1468","0.1541","","","","","","1.04","","","","has coordinates,has disorder","253912","2020-10-21","18:00:00",""
"7704018","13.1004","0.0006","15.7386","0.0007","17.8971","0.0008","65.224","0.003","70.191","0.003","79.065","0.004","3147.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H156 N16 O10 Sn4 -","- C120 H156 N16 O10 Sn4 -","- C120 H156 N16 O10 Sn4 -","1","0.5","","Chandra, Anirban; Mebs, Stefan; Kundu, Subrata; Kuhlmann, Uwe; Hildebrandt, Peter; Dau, Holger; Ray, Kallol","Catalytic dioxygen reduction mediated by a tetranuclear cobalt complex supported on a stannoxane core.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6065","6073","10.1039/d0dt00475h","","","0.71073","MoKα","","0.0825","0.0482","","","0.0859","0.0929","","","","","","0.994","","","","has coordinates,has disorder","252811","2020-10-21","18:00:00",""
"7704019","5.0235","0.0003","27.1171","0.0019","6.1914","0.0004","90","","92.475","0.002","90","","842.62","0.09","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 N Ni0.5 O S4 -","- C5 H5 N Ni0.5 O S4 -","- C20 H20 N4 Ni2 O4 S16 -","4","1","","Hachem, Hadi; Bellec, Nathalie; Fourmigué, Marc; Lorcy, Dominique","Hydrogen bonding interactions in single component molecular conductors based on metal (Ni, Au) bis(dithiolene) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6056","6064","10.1039/d0dt00960a","","x-ray","0.71073","MoKα","","0.0563","0.0395","","","0.0888","0.094","","","","","","1.037","","","","has coordinates","252801","2020-10-21","18:00:00",""
"7704020","4.9715","0.0006","27.272","0.003","6.172","0.0008","90","","91.722","0.005","90","","836.44","0.17","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Au N2 O2 S8 -","- C10 H10 Au N2 O2 S8 -","- C20 H20 Au2 N4 O4 S16 -","2","0.5","","Hachem, Hadi; Bellec, Nathalie; Fourmigué, Marc; Lorcy, Dominique","Hydrogen bonding interactions in single component molecular conductors based on metal (Ni, Au) bis(dithiolene) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6056","6064","10.1039/d0dt00960a","","x-ray","0.71073","MoKα","","0.056","0.0499","","","0.0978","0.0993","","","","","","1.468","","","","has coordinates","252801","2020-10-21","18:00:00",""
"7704021","26.407","0.002","18.2569","0.0015","23.1623","0.0019","90","","98.355","0.003","90","","11048.3","1.5","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","[Ph4P][Au(HOEt-tzdt)2]","","- C34 H30 Au N2 O2 P S8 -","- C34 H30 Au N2 O2 P S8 -","- C408 H360 Au12 N24 O24 P12 S96 -","12","3","","Hachem, Hadi; Bellec, Nathalie; Fourmigué, Marc; Lorcy, Dominique","Hydrogen bonding interactions in single component molecular conductors based on metal (Ni, Au) bis(dithiolene) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6056","6064","10.1039/d0dt00960a","","x-ray","0.71073","MoKα","","0.1269","0.067","","","0.15","0.1931","","","","","","1.063","","","","has coordinates,has disorder","252801","2020-10-21","18:00:00",""
"7704022","9.4133","0.0006","15.4886","0.0009","13.6365","0.0008","90","","104.721","0.002","90","","1922.9","0.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","9aprf","","","- C27 H21 Fe N O -","- C27 H21 Fe N O -","- C108 H84 Fe4 N4 O4 -","4","1","","Gayen, Firdaus Rahaman; Ali, Abdul Aziz; Bora, Debashree; Roy, Saptarshi; Saha, Supriya; Saikia, Lakshi; Goswamee, Rajib Lochan; Saha, Biswajit","A ferrocene functionalized Schiff base containing Cu(ii) complex: synthesis, characterization and parts-per-million level catalysis for azide alkyne cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6578","6586","10.1039/d0dt00915f","","","0.71073","MoKα","","0.0407","0.0341","","","0.0875","0.0922","","","","","","1.08","","","","has coordinates","252798","2020-10-21","18:00:00",""
"7704023","10.0021","0.0004","12.9594","0.0005","15.1607","0.0005","90","","94.303","0.001","90","","1959.61","0.13","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","3sep","","","- C54 H40 Cu Fe2 N2 O2 -","- C54 H40 Cu Fe2 N2 O2 -","- C108 H80 Cu2 Fe4 N4 O4 -","2","0.5","","Gayen, Firdaus Rahaman; Ali, Abdul Aziz; Bora, Debashree; Roy, Saptarshi; Saha, Supriya; Saikia, Lakshi; Goswamee, Rajib Lochan; Saha, Biswajit","A ferrocene functionalized Schiff base containing Cu(ii) complex: synthesis, characterization and parts-per-million level catalysis for azide alkyne cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6578","6586","10.1039/d0dt00915f","","","0.71073","MoKα","","0.0684","0.0433","","","0.1092","0.1305","","","","","","1.073","","","","has coordinates","252798","2020-10-21","18:00:00",""
"7704024","11.4659","0.0003","11.7021","0.0003","21.3015","0.0006","79.168","0.002","79.681","0.002","76.855","0.002","2705.71","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H84 N6 Si4 Sm2 -","- C48 H84 N6 Si4 Sm2 -","- C96 H168 N12 Si8 Sm4 -","2","1","","Mukthar, Nishya F. M.; Schley, Nathan D.; Ung, Gaël","Alkali-metal- and halide-free dinuclear mixed-valent samarium and europium complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16059","16061","10.1039/d0dt01095b","","x-ray","0.71073","MoKα","","0.046","0.0395","","","0.0823","0.085","","","","","","1.116","","","","has coordinates","260786","2021-01-07","06:30:30",""
"7704025","11.4426","0.0005","11.6392","0.0005","21.2371","0.0009","79.337","0.004","79.682","0.004","77.099","0.004","2681.2","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H84 Eu2 N6 Si4 -","- C48 H84 Eu2 N6 Si4 -","- C96 H168 Eu4 N12 Si8 -","2","1","","Mukthar, Nishya F. M.; Schley, Nathan D.; Ung, Gaël","Alkali-metal- and halide-free dinuclear mixed-valent samarium and europium complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16059","16061","10.1039/d0dt01095b","","x-ray","0.71073","MoKα","","0.1028","0.0585","","","0.1056","0.1237","","","","","","1.029","","","","has coordinates","260786","2021-01-07","06:30:30",""
"7704026","13.7438","0.0004","20.1221","0.0006","17.6945","0.0004","90","","90.855","0.002","90","","4892.9","0.2","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H74 Eu2 N5 O Si2 -","- C46 H74 Eu2 N5 O Si2 -","- C184 H296 Eu8 N20 O4 Si8 -","4","0.5","","Mukthar, Nishya F. M.; Schley, Nathan D.; Ung, Gaël","Alkali-metal- and halide-free dinuclear mixed-valent samarium and europium complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16059","16061","10.1039/d0dt01095b","","x-ray","0.71073","MoKα","","0.0515","0.0407","","","0.0939","0.0998","","","","","","1.097","","","","has coordinates","260786","2021-01-07","06:30:30",""
"7704027","17.947","0.0008","21.5868","0.0006","23.2649","0.0009","90","","108.706","0.004","90","","8537.1","0.6","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H64 N4 O2 Sm2 -","- C47 H64 N4 O2 Sm2 -","- C376 H512 N32 O16 Sm16 -","8","1","","Mukthar, Nishya F. M.; Schley, Nathan D.; Ung, Gaël","Alkali-metal- and halide-free dinuclear mixed-valent samarium and europium complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16059","16061","10.1039/d0dt01095b","","x-ray","1.54184","CuKα","","0.0831","0.0659","","","0.1888","0.203","","","","","","1.116","","","","has coordinates,has disorder","260786","2021-01-07","06:30:30",""
"7704028","29.6681","0.0015","27.6756","0.0017","14.3832","0.0007","90","","92.371","0.002","90","","11799.7","1.1","278","2","278","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C101 H69 N15 O36 Zn7 -","- C101 H69 N15 O36 Zn7 -","- C404 H276 N60 O144 Zn28 -","4","1","","Li, Jingyang; He, Ying; Wang, Li; Pan, Qinhe; Song, Zhiguang; Shi, Xiaodong","Design and synthesis of photoluminescent active interpenetrating metal-organic frameworks using N-2-aryl-1,2,3-triazole ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5429","5433","10.1039/d0dt00933d","","","0.71073","MoKα","","0.1539","0.0935","","","0.2412","0.2665","","","","","","1.089","","","","has coordinates","252753","2020-10-21","18:00:00",""
"7704029","24.0057","0.0012","24.6946","0.0013","8.5544","0.0004","90","","90","","90","","5071.1","0.4","299","2","299","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C23 H16 N3 O5 Zn -","- C23 H16 N3 O5 Zn -","- C184 H128 N24 O40 Zn8 -","8","0.5","","Li, Jingyang; He, Ying; Wang, Li; Pan, Qinhe; Song, Zhiguang; Shi, Xiaodong","Design and synthesis of photoluminescent active interpenetrating metal-organic frameworks using N-2-aryl-1,2,3-triazole ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5429","5433","10.1039/d0dt00933d","","","0.71073","MoKα","","0.0484","0.0433","","","0.1403","0.1427","","","","","","1.224","","","","has coordinates","252753","2020-10-21","18:00:00",""
"7704030","10.5305","0.0005","11.0781","0.0005","12.767","0.0006","103.931","0.002","109.833","0.002","96.579","0.002","1328.03","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Eu N3 O12 -","- C21 H27 Eu N3 O12 -","- C42 H54 Eu2 N6 O24 -","2","1","","De Bellis, Jacopo; Bellucci, Luca; Bottaro, Gregorio; Labella, Luca; Marchetti, Fabio; Samaritani, Simona; Belli Dell'Amico, Daniela; Armelao, Lidia","Single-crystal-to-single-crystal post-synthetic modifications of three-dimensional LOFs (Ln = Gd, Eu): a way to modulate their luminescence and thermometric properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6030","6042","10.1039/d0dt00449a","","","0.71073","MoKα","","0.0312","0.0247","","","0.0608","0.0632","","","","","","1.047","","","","has coordinates,has disorder","252816","2020-10-21","18:00:00",""
"7704031","10.6393","0.0013","11.157","0.0013","11.7912","0.0015","97.296","0.003","111.893","0.003","101.042","0.003","1244","0.3","296","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H21 Cl3 Gd N2 O11 -","- C19 H21 Cl3 Gd N2 O11 -","- C38 H42 Cl6 Gd2 N4 O22 -","2","1","","De Bellis, Jacopo; Bellucci, Luca; Bottaro, Gregorio; Labella, Luca; Marchetti, Fabio; Samaritani, Simona; Belli Dell'Amico, Daniela; Armelao, Lidia","Single-crystal-to-single-crystal post-synthetic modifications of three-dimensional LOFs (Ln = Gd, Eu): a way to modulate their luminescence and thermometric properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6030","6042","10.1039/d0dt00449a","","","0.71073","MoKα","","0.0592","0.0508","","","0.1223","0.1306","","","","","","1.251","","","","has coordinates,has disorder","252816","2020-10-21","18:00:00",""
"7704032","12.226","0.0005","14.8722","0.0006","16.0462","0.0006","93.197","0.001","91.883","0.001","113.851","0.001","2659.41","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H39 Cl3 Gd2 N12 O19 -","- C43 H39 Cl3 Gd2 N12 O19 -","- C86 H78 Cl6 Gd4 N24 O38 -","2","1","","De Bellis, Jacopo; Bellucci, Luca; Bottaro, Gregorio; Labella, Luca; Marchetti, Fabio; Samaritani, Simona; Belli Dell'Amico, Daniela; Armelao, Lidia","Single-crystal-to-single-crystal post-synthetic modifications of three-dimensional LOFs (Ln = Gd, Eu): a way to modulate their luminescence and thermometric properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6030","6042","10.1039/d0dt00449a","","","0.71073","MoKα","","0.0442","0.031","","","0.0817","0.0924","","","","","","1.062","","","","has coordinates,has disorder","252816","2020-10-21","18:00:00",""
"7704033","17.54","0.005","14.333","0.003","12.987","0.003","90","","108.92","0.03","90","","3088.5","1.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H64 B2 F8 N8 O8 Pd -","- C62 H64 B2 F8 N8 O8 Pd -","- C124 H128 B4 F16 N16 O16 Pd2 -","2","0.5","","Sarada, Ganguri; Kim, Ahreum; Kim, Dongwon; Jung, Ok-Sang","Diverse anion exchange of pliable [X<sub>2</sub>@Pd<sub>3</sub>L<sub>4</sub>]<sup>4+</sup> double cages: a molecular ruler for recognition of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6183","6190","10.1039/d0dt01027h","","","0.68","synchrotron","","0.0757","0.0677","","","0.1897","0.1965","","","","","","1.088","","","","has coordinates","252780","2020-10-21","18:00:00",""
"7704034","14.451","0.003","19.15","0.004","23.82","0.005","96.52","0.03","106.07","0.03","90.14","0.03","6289","3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C184 H188 F60 N26 O40 P10 Pd6 -","- C184 H184 F54 N26 O40 P9 Pd6 -","- C184 H184 F54 N26 O40 P9 Pd6 -","1","0.5","","Sarada, Ganguri; Kim, Ahreum; Kim, Dongwon; Jung, Ok-Sang","Diverse anion exchange of pliable [X<sub>2</sub>@Pd<sub>3</sub>L<sub>4</sub>]<sup>4+</sup> double cages: a molecular ruler for recognition of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6183","6190","10.1039/d0dt01027h","","","0.8","synchrotron","","0.0534","0.0506","","","0.1402","0.1425","","","","","","1.01","","","","has coordinates,has disorder","252780","2020-10-21","18:00:00",""
"7704035","13.814","0.003","16.319","0.003","18.37","0.004","68.07","0.03","88.03","0.03","71.71","0.03","3631.3","1.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C96 H104 F24 N14 O24 P4 Pd3 S2 -","- C96 H104 F24 N14 O24 P4 Pd3 S2 -","- C96 H104 F24 N14 O24 P4 Pd3 S2 -","1","0.5","","Sarada, Ganguri; Kim, Ahreum; Kim, Dongwon; Jung, Ok-Sang","Diverse anion exchange of pliable [X<sub>2</sub>@Pd<sub>3</sub>L<sub>4</sub>]<sup>4+</sup> double cages: a molecular ruler for recognition of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6183","6190","10.1039/d0dt01027h","","","0.65","synchrotron","","0.0577","0.0538","","","0.1708","0.173","","","","","","1.215","","","","has coordinates,has disorder","252780","2020-10-21","18:00:00",""
"7704036","17.463","0.004","42.738","0.009","9.117","0.0018","90","","93.09","0.03","90","","6794","3","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C92 H92 F36 N12 O16 P6 Pd3 -","- C92 H92 F36 N12 O16 P6 Pd3 -","- C184 H184 F72 N24 O32 P12 Pd6 -","2","0.25","","Sarada, Ganguri; Kim, Ahreum; Kim, Dongwon; Jung, Ok-Sang","Diverse anion exchange of pliable [X<sub>2</sub>@Pd<sub>3</sub>L<sub>4</sub>]<sup>4+</sup> double cages: a molecular ruler for recognition of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6183","6190","10.1039/d0dt01027h","","","0.8","synchrotron","","0.1302","0.1115","","","0.3264","0.334","","","","","","2.123","","","","has coordinates","252780","2020-10-21","18:00:00",""
"7704037","9.315","0.0019","22.198","0.004","28.653","0.006","90","","92.76","0.03","90","","5918","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C96 H104 Cl6 N12 O42 Pd3 S2 -","- C96 H104 Cl6.142 N12 O42.568 Pd3 S2 -","- C192 H208 Cl12.284 N24 O85.136 Pd6 S4 -","2","0.5","","Sarada, Ganguri; Kim, Ahreum; Kim, Dongwon; Jung, Ok-Sang","Diverse anion exchange of pliable [X<sub>2</sub>@Pd<sub>3</sub>L<sub>4</sub>]<sup>4+</sup> double cages: a molecular ruler for recognition of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6183","6190","10.1039/d0dt01027h","","","0.8","synchrotron","","0.1274","0.1057","","","0.3047","0.3159","","","","","","2.067","","","","has coordinates,has disorder","252780","2020-10-21","18:00:00",""
"7704038","41.454","0.003","16.3397","0.0012","19.2485","0.0013","90","","95.416","0.001","90","","12979.7","1.6","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H138 B4 F16 N20 O30 Pd3 -","- C110 H134 B4 F16 N20 O30 Pd3 -","- C440 H536 B16 F64 N80 O120 Pd12 -","4","0.5","","Sarada, Ganguri; Kim, Ahreum; Kim, Dongwon; Jung, Ok-Sang","Diverse anion exchange of pliable [X<sub>2</sub>@Pd<sub>3</sub>L<sub>4</sub>]<sup>4+</sup> double cages: a molecular ruler for recognition of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6183","6190","10.1039/d0dt01027h","","","0.71073","MoKα","","0.0926","0.0659","","","0.1891","0.2157","","","","","","1.062","","","","has coordinates,has disorder","252780","2020-10-21","18:00:00",""
"7704039","14.016","0.005","16.03","0.006","18.468","0.007","66.969","0.002","86.217","0.003","70.922","0.003","3600","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C112 H128 Cl4 N14 O42 Pd3 S4 -","- C112 H128 Cl4 N14 O42 Pd3 S4 -","- C112 H128 Cl4 N14 O42 Pd3 S4 -","1","0.5","","Sarada, Ganguri; Kim, Ahreum; Kim, Dongwon; Jung, Ok-Sang","Diverse anion exchange of pliable [X<sub>2</sub>@Pd<sub>3</sub>L<sub>4</sub>]<sup>4+</sup> double cages: a molecular ruler for recognition of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6183","6190","10.1039/d0dt01027h","","","0.71073","MoKα","","0.2143","0.0746","","","0.1364","0.1824","","","","","","0.972","","","","has coordinates,has disorder","252780","2020-10-21","18:00:00",""
"7704040","24.117","0.005","16.548","0.003","37.143","0.007","90","","101.83","0.03","90","","14508","5","173","2","173","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C106 H112 N18 O36 Pd3 S -","- C106 H110 N18 O36 Pd3 S -","- C424 H440 N72 O144 Pd12 S4 -","4","1","","Sarada, Ganguri; Kim, Ahreum; Kim, Dongwon; Jung, Ok-Sang","Diverse anion exchange of pliable [X<sub>2</sub>@Pd<sub>3</sub>L<sub>4</sub>]<sup>4+</sup> double cages: a molecular ruler for recognition of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6183","6190","10.1039/d0dt01027h","","","0.8","synchrotron","","0.1446","0.0944","","","0.2715","0.3063","","","","","","1.012","","","","has coordinates,has disorder","252780","2020-10-21","18:00:00",""
"7704041","14.393","0.003","19.113","0.004","23.51","0.005","98.23","0.03","106.16","0.03","90.4","0.03","6140","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C95 H101 Cl4 N15 O40 Pd3 -","- C94.548 H99 Cl5 N14 O41 Pd3 -","- C189.096 H198 Cl10 N28 O82 Pd6 -","2","1","","Sarada, Ganguri; Kim, Ahreum; Kim, Dongwon; Jung, Ok-Sang","Diverse anion exchange of pliable [X<sub>2</sub>@Pd<sub>3</sub>L<sub>4</sub>]<sup>4+</sup> double cages: a molecular ruler for recognition of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6183","6190","10.1039/d0dt01027h","","","0.8","synchrotron","","0.1568","0.1065","","","0.2957","0.3226","","","","","","1.106","","","","has coordinates,has disorder","252780","2020-10-21","18:00:00",""
"7704042","15.158","0.003","11.271","0.002","20.489","0.004","90","","95.62","0.03","90","","3483.6","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H41 N3 O4 Pd S2 -","- C37 H41 N3 O4 Pd S2 -","- C148 H164 N12 O16 Pd4 S8 -","4","1","","Scattolin, Thomas; Santo, Claudio; Demitri, Nicola; Canovese, Luciano; Visentin, Fabiano","Chemoselective oxidative addition of vinyl sulfones mediated by palladium complexes bearing picolyl-N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5684","5694","10.1039/d0dt01144d","","","0.7","Synchrotron","","0.0496","0.0369","","","0.095","0.1023","","","","","","1.021","","","","has coordinates","252765","2020-10-21","18:00:00",""
"7704043","28.638","0.001","28.638","0.001","13.096","0.001","90","","90","","90","","10740.5","1","293","2","293","2","","","","","","","synthesis as described","7","I -4","I -4","82","cisdppeLAP","","","- C53 H50 F6 N2 O3.5 P3 Ru -","- C53 H50 F6 N2 O3.5 P3 Ru -","- C424 H400 F48 N16 O28 P24 Ru8 -","8","1","","Oliveira, Katia M.; Peterson, Erica J.; Carroccia, Murilo C.; Cominetti, Marcia R.; Deflon, Victor M.; Farrell, Nicholas P.; Batista, Alzir A.; Correa, Rodrigo S.","Ru(II)-Naphthoquinone complexes with high selectivity for triple-negative breast cancer.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16193","16203","10.1039/d0dt01091j","","x-ray","0.71073","MoKα","","0.0701","0.0449","","","0.1071","0.1142","","","","","","0.935","","","","has coordinates","260785","2021-01-07","06:30:17",""
"7704044","11.786","0.0002","12.8648","0.0002","17.3677","0.0003","94.521","0.001","100.421","0.001","92.807","0.001","2576.5","0.07","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C54 H51 Cl2 F6 N2 O3 P3 Ru -","- C54 H51 Cl2 F6 N2 O3 P3 Ru -","- C108 H102 Cl4 F12 N4 O6 P6 Ru2 -","2","1","","Oliveira, Katia M.; Peterson, Erica J.; Carroccia, Murilo C.; Cominetti, Marcia R.; Deflon, Victor M.; Farrell, Nicholas P.; Batista, Alzir A.; Correa, Rodrigo S.","Ru(II)-Naphthoquinone complexes with high selectivity for triple-negative breast cancer.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16193","16203","10.1039/d0dt01091j","","","0.71073","MoKα","","0.0417","0.0346","","","0.0835","0.0887","","","","","","1.024","","","","has coordinates,has disorder","260785","2021-01-07","06:30:18",""
"7704045","13.7656","0.0003","14.7135","0.0003","23.3155","0.0005","90","","91.892","0.001","90","","4719.75","0.17","296","2","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H43 Cl2 F6 N2 O3 P3 Ru -","- C49 H43 Cl2 F6 N2 O3 P3 Ru -","- C196 H172 Cl8 F24 N8 O12 P12 Ru4 -","4","1","","Oliveira, Katia M.; Peterson, Erica J.; Carroccia, Murilo C.; Cominetti, Marcia R.; Deflon, Victor M.; Farrell, Nicholas P.; Batista, Alzir A.; Correa, Rodrigo S.","Ru(II)-Naphthoquinone complexes with high selectivity for triple-negative breast cancer.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16193","16203","10.1039/d0dt01091j","","","0.71073","MoKα","","0.0571","0.0469","","","0.133","0.1417","","","","","","1.035","","","","has coordinates,has disorder","260785","2021-01-07","06:30:18",""
"7704046","8.8832","0.0003","12.699","0.0005","21.7752","0.0008","105.676","0.001","95.872","0.001","94.301","0.001","2339.09","0.15","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 Cl2 F2 N4 Zn -","- C23 H20 Cl2 F2 N4 Zn -","- C92 H80 Cl8 F8 N16 Zn4 -","4","2","","Braun, Jason D.; Gray, Paul A.; Sidhu, Baldeep K.; Nemez, Dion B.; Herbert, David E.","Zn-Templated synthesis of substituted (2,6-diimine)pyridine proligands and evaluation of their iron complexes as anolytes for flow battery applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16175","16183","10.1039/d0dt00543f","","","0.71073","MoKα","","0.0952","0.0618","","","0.094","0.1038","","","","","","1.111","","","","has coordinates","260773","2021-01-07","06:26:46",""
"7704047","11.5217","0.0006","32.6571","0.0016","13.8662","0.0007","90","","98.732","0.002","90","","5156.9","0.5","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 F12 Fe N12 P2 -","- C50 H40 F12 Fe N12 P2 -","- C200 H160 F48 Fe4 N48 P8 -","4","1","","Braun, Jason D.; Gray, Paul A.; Sidhu, Baldeep K.; Nemez, Dion B.; Herbert, David E.","Zn-Templated synthesis of substituted (2,6-diimine)pyridine proligands and evaluation of their iron complexes as anolytes for flow battery applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16175","16183","10.1039/d0dt00543f","","","0.71073","MoKα","","0.0938","0.0717","","","0.1487","0.1611","","","","","","1.058","","","","has coordinates","260773","2021-01-07","06:26:47",""
"7704048","7.7284","0.0007","14.8601","0.0013","22.4323","0.0019","90","","97.628","0.004","90","","2553.4","0.4","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Cl2 N6 Zn -","- C25 H20 Cl2 N6 Zn -","- C100 H80 Cl8 N24 Zn4 -","4","1","","Braun, Jason D.; Gray, Paul A.; Sidhu, Baldeep K.; Nemez, Dion B.; Herbert, David E.","Zn-Templated synthesis of substituted (2,6-diimine)pyridine proligands and evaluation of their iron complexes as anolytes for flow battery applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16175","16183","10.1039/d0dt00543f","","","0.71073","MoKα","","0.0998","0.0656","","","0.138","0.1495","","","","","","1.219","","","","has coordinates","260773","2021-01-07","06:26:47",""
"7704049","12.9613","0.0007","14.5938","0.0006","15.1144","0.0007","92.855","0.002","110.335","0.002","102.818","0.002","2588.7","0.2","151","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18.5 Br2 Cl2 N3.5 Zn -","- C22 H18.5 Br2 Cl2 N3.5 Zn -","- C88 H74 Br8 Cl8 N14 Zn4 -","4","2","","Braun, Jason D.; Gray, Paul A.; Sidhu, Baldeep K.; Nemez, Dion B.; Herbert, David E.","Zn-Templated synthesis of substituted (2,6-diimine)pyridine proligands and evaluation of their iron complexes as anolytes for flow battery applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16175","16183","10.1039/d0dt00543f","","","0.71073","MoKα","","0.1361","0.0708","","","0.1138","0.1345","","","","","","1.037","","","","has coordinates","260773","2021-01-07","06:26:47",""
"7704050","17.9244","0.0007","17.557","0.0007","15.988","0.0006","90","","102.194","0.002","90","","4917.9","0.3","150","2","150","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C44 H37 Br4 F12 Fe N7 P2 -","- C44 H37 Br4 F12 Fe N7 P2 -","- C176 H148 Br16 F48 Fe4 N28 P8 -","4","1","","Braun, Jason D.; Gray, Paul A.; Sidhu, Baldeep K.; Nemez, Dion B.; Herbert, David E.","Zn-Templated synthesis of substituted (2,6-diimine)pyridine proligands and evaluation of their iron complexes as anolytes for flow battery applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16175","16183","10.1039/d0dt00543f","","","0.71073","MoKα","","0.0541","0.0356","","","0.0547","0.059","","","","","","1.048","","","","has coordinates","260773","2021-01-07","06:26:47",""
"7704051","7.8687","0.0002","7.8687","0.0002","12.8302","0.0003","90","","90","","120","","687.97","0.03","300","2","300","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ce3 Cs2 F16 Ni -","- Ce3 Cs2 F16 Ni -","- Ce6 Cs4 F32 Ni2 -","2","0.0833333","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Pace, Kristen A.; Zur Loye, Hans-Conrad","Quaternary cerium(iv) containing fluorides exhibiting Ce<sub>3</sub>F<sub>16</sub> sheets and Ce<sub>6</sub>F<sub>30</sub> frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5898","5905","10.1039/d0dt00616e","","","0.71073","MoKα","","0.0236","0.0231","","","0.0448","0.045","","","","","","1.148","","","","has coordinates","252809","2020-10-21","18:00:00",""
"7704052","7.8769","0.0002","7.8769","0.0002","12.9013","0.0003","90","","90","","120","","693.23","0.03","304","2","304.1","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ce3 Cs2 F16 Zn -","- Ce3 Cs2 F16 Zn -","- Ce6 Cs4 F32 Zn2 -","2","0.0833333","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Pace, Kristen A.; Zur Loye, Hans-Conrad","Quaternary cerium(iv) containing fluorides exhibiting Ce<sub>3</sub>F<sub>16</sub> sheets and Ce<sub>6</sub>F<sub>30</sub> frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5898","5905","10.1039/d0dt00616e","","","0.71073","MoKα","","0.0116","0.0113","","","0.0236","0.0237","","","","","","1.155","","","","has coordinates","252809","2020-10-21","18:00:00",""
"7704053","7.8823","0.0002","7.8823","0.0002","12.9303","0.0003","90","","90","","120","","695.74","0.03","300","2","300","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ce3 Co Cs2 F16 -","- Ce3 Co Cs2 F16 -","- Ce6 Co2 Cs4 F32 -","2","0.0833333","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Pace, Kristen A.; Zur Loye, Hans-Conrad","Quaternary cerium(iv) containing fluorides exhibiting Ce<sub>3</sub>F<sub>16</sub> sheets and Ce<sub>6</sub>F<sub>30</sub> frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5898","5905","10.1039/d0dt00616e","","","0.71073","MoKα","","0.0114","0.0113","","","0.0236","0.0236","","","","","","1.22","","","","has coordinates","252809","2020-10-21","18:00:00",""
"7704054","9.6715","0.0002","9.6715","0.0002","12.7479","0.0003","90","","90","","120","","1032.66","0.04","303","2","303","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Al Ce6 F30 Na3 -","- Al Ce6 F30 Na3 -","- Al2 Ce12 F60 Na6 -","2","0.166667","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Pace, Kristen A.; Zur Loye, Hans-Conrad","Quaternary cerium(iv) containing fluorides exhibiting Ce<sub>3</sub>F<sub>16</sub> sheets and Ce<sub>6</sub>F<sub>30</sub> frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5898","5905","10.1039/d0dt00616e","","","0.71073","MoKα","","0.0098","0.0097","","","0.028","0.0281","","","","","","1.082","","","","has coordinates","252809","2020-10-21","18:00:00",""
"7704055","9.7142","0.0003","9.7142","0.0003","12.798","0.0005","90","","90","","120","","1045.89","0.06","300","2","300.02","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Ce6 Cr F30 Na3 -","- Ce6 Cr F30 Na3 -","- Ce12 Cr2 F60 Na6 -","2","0.166667","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Pace, Kristen A.; Zur Loye, Hans-Conrad","Quaternary cerium(iv) containing fluorides exhibiting Ce<sub>3</sub>F<sub>16</sub> sheets and Ce<sub>6</sub>F<sub>30</sub> frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5898","5905","10.1039/d0dt00616e","","","0.71073","MoKα","","0.0168","0.0141","","","0.0291","0.0299","","","","","","1.187","","","","has coordinates","252809","2020-10-21","18:00:00",""
"7704056","9.7126","0.0003","9.7126","0.0003","12.7972","0.0004","90","","90","","120","","1045.48","0.06","300","2","300","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Ce6 F30 Ga Na3 -","- Ce6 F30 Ga Na3 -","- Ce12 F60 Ga2 Na6 -","2","0.166667","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Pace, Kristen A.; Zur Loye, Hans-Conrad","Quaternary cerium(iv) containing fluorides exhibiting Ce<sub>3</sub>F<sub>16</sub> sheets and Ce<sub>6</sub>F<sub>30</sub> frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5898","5905","10.1039/d0dt00616e","","","0.71073","MoKα","","0.0113","0.0112","","","0.0245","0.0246","","","","","","1.058","","","","has coordinates","252809","2020-10-21","18:00:00",""
"7704057","9.7288","0.0002","9.7288","0.0002","12.8247","0.0003","90","","90","","120","","1051.23","0.04","300","2","300.02","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Ce6 F30 Fe Na3 -","- Ce6 F30 Fe Na3 -","- Ce12 F60 Fe2 Na6 -","2","0.166667","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Pace, Kristen A.; Zur Loye, Hans-Conrad","Quaternary cerium(iv) containing fluorides exhibiting Ce<sub>3</sub>F<sub>16</sub> sheets and Ce<sub>6</sub>F<sub>30</sub> frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5898","5905","10.1039/d0dt00616e","","","0.71073","MoKα","","0.0091","0.009","","","0.0206","0.0206","","","","","","1.156","","","","has coordinates","252809","2020-10-21","18:00:00",""
"7704058","7.9014","0.0002","7.9014","0.0002","13.0931","0.0004","90","","90","","120","","707.92","0.03","300","2","300","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ce3 Cs2 F16 Mn -","- Ce3 Cs2 F16 Mn -","- Ce6 Cs4 F32 Mn2 -","2","0.0833333","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Pace, Kristen A.; Zur Loye, Hans-Conrad","Quaternary cerium(iv) containing fluorides exhibiting Ce<sub>3</sub>F<sub>16</sub> sheets and Ce<sub>6</sub>F<sub>30</sub> frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5898","5905","10.1039/d0dt00616e","","","0.71073","MoKα","","0.0141","0.013","","","0.0295","0.0299","","","","","","1.09","","","","has coordinates","252809","2020-10-21","18:00:00",""
"7704059","13.6466","0.0011","14.0282","0.0007","16.2009","0.0009","91.859","0.004","96.471","0.005","117.397","0.007","2723.5","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H72 N7 O20.5 P2 Zn2 -","- C43 H46 N7 O8 P2 Zn2 -","- C86 H92 N14 O16 P4 Zn4 -","2","1","","Torres-Huerta, Aaron; Chan, Tiffany G.; White, Andrew J. P.; Vilar, Ramon","Molecular recognition of bisphosphonate-based drugs by di-zinc receptors in aqueous solution and on gold nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5939","5948","10.1039/d0dt00930j","","","1.54184","CuKα","","0.0687","0.0465","","","0.107","0.1214","","","","","","0.971","","","","has coordinates","252819","2020-10-21","18:00:00",""
"7704060","12.3489","0.0003","13.7028","0.0005","18.1556","0.0008","90.414","0.003","93.3","0.003","100.305","0.003","3017.14","0.19","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H79 B F4 N8 O17.5 P2 Zn2 -","- C48.5 H53 B F4 N8 O16 P2 Zn2 -","- C97 H106 B2 F8 N16 O32 P4 Zn4 -","2","1","","Torres-Huerta, Aaron; Chan, Tiffany G.; White, Andrew J. P.; Vilar, Ramon","Molecular recognition of bisphosphonate-based drugs by di-zinc receptors in aqueous solution and on gold nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5939","5948","10.1039/d0dt00930j","","","1.54184","CuKα","","0.0769","0.0567","","","0.1567","0.1796","","","","","","1.025","","","","has coordinates,has disorder","252819","2020-10-21","18:00:00",""
"7704061","20.5298","0.0008","15.796","0.0006","16.5926","0.0006","90","","90","","90","","5380.8","0.4","100.04","","100.04","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H45 I N3 O4.5 -","- C24 H45 I N3 O4.5 -","- C192 H360 I8 N24 O36 -","8","1","","Guzmán Santiago, Alexis J; Brown, Caleb A.; Sommer, Roger D.; Ison, Elon A.","Identification of key functionalization species in the Cp*Ir(III)-catalyzed-<i>ortho</i> halogenation of benzamides.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16166","16174","10.1039/d0dt00565g","","","0.71073","MoKα","","0.0636","0.0355","","","0.0814","0.0932","","","","","","1.02","","","","has coordinates","260783","2021-01-07","06:30:01",""
"7704062","7.9117","0.0004","15.8043","0.0007","21.3583","0.001","74.469","0.001","80.475","0.002","88.799","0.002","2536.9","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H43 I N2 O4 -","- C22 H43 I N2 O4 -","- C88 H172 I4 N8 O16 -","4","2","","Guzmán Santiago, Alexis J; Brown, Caleb A.; Sommer, Roger D.; Ison, Elon A.","Identification of key functionalization species in the Cp*Ir(III)-catalyzed-<i>ortho</i> halogenation of benzamides.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16166","16174","10.1039/d0dt00565g","","","0.71073","MoKα","","0.0616","0.0437","","","0.1028","0.1123","","","","","","1.139","","","","has coordinates","260783","2021-01-07","06:30:01",""
"7704063","21.1476","0.0014","8.1712","0.0005","17.1899","0.0011","90","","100.901","0.002","90","","2916.8","0.3","296.15","","296.15","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C26 H39 F3 Ir N O5 S2 -","- C26 H39 F3 Ir N O5 S2 -","- C104 H156 F12 Ir4 N4 O20 S8 -","4","2","","Guzmán Santiago, Alexis J; Brown, Caleb A.; Sommer, Roger D.; Ison, Elon A.","Identification of key functionalization species in the Cp*Ir(III)-catalyzed-<i>ortho</i> halogenation of benzamides.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16166","16174","10.1039/d0dt00565g","","","0.71073","MoKα","","0.028","0.0272","","","0.0597","0.0601","","","","","","1.08","","","","has coordinates,has disorder","260783","2021-01-07","06:30:01",""
"7704064","9.2923","0.0019","16.814","0.003","9.4272","0.0019","90","","114.86","0.03","90","","1336.4","0.6","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H34 N4 O5 -","- C28 H34 N4 O5 -","- C56 H68 N8 O10 -","2","1","","Lippi, Martina; Caputo, Josefina; Famulari, Antonino; Sacchetti, Alessandro; Castellano, Carlo; Meneghetti, Fiorella; Martí-Rujas, Javier; Cametti, Massimo","Combined structural and theoretical investigation on differently substituted bispidine ligands: predicting the properties of their corresponding coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5965","5973","10.1039/d0dt00799d","","","0.71073","MoKα","","0.0559","0.0485","","","0.1192","0.1274","","","","","","1.051","","","","has coordinates","252815","2020-10-21","18:00:00",""
"7704065","14.548","0.003","11.382","0.002","14.751","0.003","90","","103.41","0.03","90","","2376","0.9","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 N4 O5 -","- C25 H30 N4 O5 -","- C100 H120 N16 O20 -","4","1","","Lippi, Martina; Caputo, Josefina; Famulari, Antonino; Sacchetti, Alessandro; Castellano, Carlo; Meneghetti, Fiorella; Martí-Rujas, Javier; Cametti, Massimo","Combined structural and theoretical investigation on differently substituted bispidine ligands: predicting the properties of their corresponding coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5965","5973","10.1039/d0dt00799d","","","0.71073","MoKα","","0.077","0.0591","","","0.1473","0.1638","","","","","","1.036","","","","has coordinates","252815","2020-10-21","18:00:00",""
"7704066","8.338","0.0017","27.317","0.006","16.519","0.003","90","","94.12","0.03","90","","3752.8","1.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","L6 dimeric Mn complex","","","- C32 H36 Cl4 F3 Mn0.5 N4 O8 -","- C32 H34 Cl4 F3 Mn0.5 N4 O8 -","- C128 H136 Cl16 F12 Mn2 N16 O32 -","4","1","","Lippi, Martina; Caputo, Josefina; Famulari, Antonino; Sacchetti, Alessandro; Castellano, Carlo; Meneghetti, Fiorella; Martí-Rujas, Javier; Cametti, Massimo","Combined structural and theoretical investigation on differently substituted bispidine ligands: predicting the properties of their corresponding coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5965","5973","10.1039/d0dt00799d","","","0.71073","MoKα","","0.1237","0.1022","","","0.27","0.2892","","","","","","1.065","","","","has coordinates,has disorder","252815","2020-10-21","18:00:00",""
"7704067","13.127","0.003","16.744","0.003","25.548","0.005","90","","90","","90","","5615","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H29 F3 Mn0 N4 O6 -","- C30 H29 F3 N4 O6 -","- C240 H232 F24 N32 O48 -","8","1","","Lippi, Martina; Caputo, Josefina; Famulari, Antonino; Sacchetti, Alessandro; Castellano, Carlo; Meneghetti, Fiorella; Martí-Rujas, Javier; Cametti, Massimo","Combined structural and theoretical investigation on differently substituted bispidine ligands: predicting the properties of their corresponding coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5965","5973","10.1039/d0dt00799d","","","0.71073","MoKα","","0.0734","0.0425","","","0.0984","0.1079","","","","","","1.015","","","","has coordinates","252815","2020-10-21","18:00:00",""
"7704068","12.767","0.003","13.128","0.003","16.753","0.003","90","","98.22","0.03","90","","2779","1.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 F3 N4 O5 -","- C30 H29 F3 N4 O5 -","- C120 H116 F12 N16 O20 -","4","1","","Lippi, Martina; Caputo, Josefina; Famulari, Antonino; Sacchetti, Alessandro; Castellano, Carlo; Meneghetti, Fiorella; Martí-Rujas, Javier; Cametti, Massimo","Combined structural and theoretical investigation on differently substituted bispidine ligands: predicting the properties of their corresponding coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5965","5973","10.1039/d0dt00799d","","","0.71073","MoKα","","0.0667","0.0517","","","0.1202","0.1299","","","","","","1.058","","","","has coordinates","252815","2020-10-21","18:00:00",""
"7704069","13.089","0.011","17.019","0.014","25.19","0.02","90","","90","","90","","5611","8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H32 N4 O6 -","- C30 H32 N4 O6 -","- C240 H256 N32 O48 -","8","1","","Lippi, Martina; Caputo, Josefina; Famulari, Antonino; Sacchetti, Alessandro; Castellano, Carlo; Meneghetti, Fiorella; Martí-Rujas, Javier; Cametti, Massimo","Combined structural and theoretical investigation on differently substituted bispidine ligands: predicting the properties of their corresponding coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5965","5973","10.1039/d0dt00799d","","","1.54178","CuKα","","0.154","0.0667","","","0.1242","0.1527","","","","","","0.976","","","","has coordinates","252815","2020-10-21","18:00:00",""
"7704070","10.7819","0.0004","15.5823","0.0004","16.9994","0.0005","81.532","0.002","87.046","0.003","83.092","0.003","2802.71","0.15","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H70 Cl6 O26 V6 W3 -","- C28 H70 Cl6 O26 V6 W3 -","- C56 H140 Cl12 O52 V12 W6 -","2","1","","Maiola, Michela L.; Petel, Brittney E.; Brennessel, William W.; Matson, Ellen M.","Site-selective halogenation of mixed-valent vanadium oxide clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16184","16192","10.1039/d0dt01077d","","x-ray","1.54184","CuKα","","0.128","0.1002","","","0.2861","0.3201","","","","","","1.082","","","","has coordinates,has disorder","260774","2021-01-07","06:27:05",""
"7704071","10.7617","0.0007","17.7653","0.0009","10.9667","0.0007","90","","107.866","0.007","90","","1995.6","0.2","223","0.1","223","0.1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C24 H60 Cl O18 V6 -","- C24 H60 Cl0.994 O18.006 V6 -","- C48 H120 Cl1.988 O36.012 V12 -","2","0.25","","Maiola, Michela L.; Petel, Brittney E.; Brennessel, William W.; Matson, Ellen M.","Site-selective halogenation of mixed-valent vanadium oxide clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16184","16192","10.1039/d0dt01077d","","x-ray","1.54184","CuKα","","0.1006","0.0712","","","0.2043","0.2392","","","","","","1.04","","","","has coordinates,has disorder","260774","2021-01-07","06:27:16",""
"7704072","10.7375","0.0002","11.6187","0.0003","19.2768","0.0004","83.447","0.002","77.638","0.002","64.53","0.002","2120.16","0.09","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H60 F3 O21 S V6 -","- C25 H60 F3 O21 S V6 -","- C50 H120 F6 O42 S2 V12 -","2","1","","Maiola, Michela L.; Petel, Brittney E.; Brennessel, William W.; Matson, Ellen M.","Site-selective halogenation of mixed-valent vanadium oxide clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16184","16192","10.1039/d0dt01077d","","x-ray","1.54184","CuKα","","0.0817","0.0732","","","0.2077","0.2154","","","","","","1.044","","","","has coordinates,has disorder","260774","2021-01-07","06:27:28",""
"7704073","8.72446","0.00014","22.3339","0.0004","20.8612","0.0003","90","","90","","90","","4064.83","0.11","294","3","294","3","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C6 H12 N O6 P Zn -","- C6 H12 N O6 P Zn -","- C96 H192 N16 O96 P16 Zn16 -","16","1","","Huang, Lijuan; Wang, Lei; Zhao, Yan; Huang, Ling; Bi, Jian; Zou, Guohong; Lin, Zhien; Gao, Daojiang","Two amino acid-templated metal phosphates: surfactant-thermal synthesis, water stability, and proton conduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5440","5444","10.1039/d0dt00966k","","x-ray","1.54184","CuKα","","0.0542","0.0517","","","0.1391","0.1422","","","","","","1.077","","","","has coordinates","252763","2020-10-21","18:00:00",""
"7704074","24.02326","0.00018","24.02326","0.00018","24.02326","0.00018","90","","90","","90","","13864.2","0.18","291","0.1","291","0.1","","","","","","","","7","F m -3 c","-F 4a 2 3","226","","","","- C5 H16 F Ga4 N O21 P4 -","- F Ga4 O16 P4 -","- F24 Ga96 O384 P96 -","24","0.125","","Huang, Lijuan; Wang, Lei; Zhao, Yan; Huang, Ling; Bi, Jian; Zou, Guohong; Lin, Zhien; Gao, Daojiang","Two amino acid-templated metal phosphates: surfactant-thermal synthesis, water stability, and proton conduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5440","5444","10.1039/d0dt00966k","","x-ray","1.54184","CuKα","","0.067","0.0652","","","0.1827","0.1855","","","","","","1.069","","","","has coordinates","252763","2020-10-21","18:00:00",""
"7704075","13.7115","0.0002","18.8612","0.0003","21.0299","0.0004","90","","108.308","0.002","90","","5163.36","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H36 Cl9 F6 Ir N5 P -","- C51 H36 Cl9 F6 Ir N5 P -","- C204 H144 Cl36 F24 Ir4 N20 P4 -","4","1","","Solomatina, Anastasia I.; Kuznetsov, Kirill M.; Gurzhiy, Vladislav V.; Pavlovskiy, Vladimir V.; Porsev, Vitaly V.; Evarestov, Robert A.; Tunik, Sergey P.","Luminescent organic dyes containing a phenanthro[9,10-D]imidazole core and [Ir(N^C)(N^N)]<sup>+</sup> complexes based on the cyclometalating and diimine ligands of this type.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6751","6763","10.1039/d0dt00568a","","","0.71073","MoKα","","0.0384","0.0304","","","0.0697","0.0751","","","","","","1.043","","","","has coordinates,has disorder","252790","2020-10-21","18:00:00",""
"7704076","30.2713","0.0006","15.7377","0.0002","31.0641","0.0006","90","","113.642","0.002","90","","13556.9","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H54 F6 Ir N9 O4.5 P -","- C82 H54 F6 Ir N9 O4.5 P -","- C656 H432 F48 Ir8 N72 O36 P8 -","8","1","","Solomatina, Anastasia I.; Kuznetsov, Kirill M.; Gurzhiy, Vladislav V.; Pavlovskiy, Vladimir V.; Porsev, Vitaly V.; Evarestov, Robert A.; Tunik, Sergey P.","Luminescent organic dyes containing a phenanthro[9,10-D]imidazole core and [Ir(N^C)(N^N)]<sup>+</sup> complexes based on the cyclometalating and diimine ligands of this type.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6751","6763","10.1039/d0dt00568a","","x-ray","1.54184","CuKα","","0.0287","0.0266","","","0.0679","0.0691","","","","","","1.036","","","","has coordinates,has disorder","252790","2020-10-21","18:00:00",""
"7704077","27.1016","0.0009","11.3994","0.0005","6.2796","0.0003","90","","90","","90","","1940.03","0.14","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H17 N3 O2 -","- C27 H17 N3 O2 -","- C108 H68 N12 O8 -","4","1","","Solomatina, Anastasia I.; Kuznetsov, Kirill M.; Gurzhiy, Vladislav V.; Pavlovskiy, Vladimir V.; Porsev, Vitaly V.; Evarestov, Robert A.; Tunik, Sergey P.","Luminescent organic dyes containing a phenanthro[9,10-D]imidazole core and [Ir(N^C)(N^N)]<sup>+</sup> complexes based on the cyclometalating and diimine ligands of this type.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6751","6763","10.1039/d0dt00568a","","","0.71073","MoKα","","0.0513","0.0435","","","0.0898","0.0935","","","","","","1.058","","","","has coordinates","252790","2020-10-21","18:00:00",""
"7704078","17.5554","0.0002","20.8344","0.0003","21.1839","0.0004","61.714","0.002","86.958","0.001","82.312","0.001","6761.2","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C80.88 H52.62 Cl0.38 F6 Ir N7 O0.25 P -","- C80.875 H52.625 Cl0.375 F6 Ir N7 O0.25 P -","- C323.5 H210.5 Cl1.5 F24 Ir4 N28 O P4 -","4","2","","Solomatina, Anastasia I.; Kuznetsov, Kirill M.; Gurzhiy, Vladislav V.; Pavlovskiy, Vladimir V.; Porsev, Vitaly V.; Evarestov, Robert A.; Tunik, Sergey P.","Luminescent organic dyes containing a phenanthro[9,10-D]imidazole core and [Ir(N^C)(N^N)]<sup>+</sup> complexes based on the cyclometalating and diimine ligands of this type.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6751","6763","10.1039/d0dt00568a","","x-ray","1.54184","CuKα","","0.0651","0.056","","","0.1619","0.1687","","","","","","1.072","","","","has coordinates,has disorder","252790","2020-10-21","18:00:00",""
"7704079","52.252","0.002","13.6314","0.0004","23.8081","0.0009","90","","120.633","0.005","90","","14591.3","1.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80 H49 F6 I2 Ir N7 P -","- C80 H49 F6 I2 Ir N7 P -","- C640 H392 F48 I16 Ir8 N56 P8 -","8","1","","Solomatina, Anastasia I.; Kuznetsov, Kirill M.; Gurzhiy, Vladislav V.; Pavlovskiy, Vladimir V.; Porsev, Vitaly V.; Evarestov, Robert A.; Tunik, Sergey P.","Luminescent organic dyes containing a phenanthro[9,10-D]imidazole core and [Ir(N^C)(N^N)]<sup>+</sup> complexes based on the cyclometalating and diimine ligands of this type.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6751","6763","10.1039/d0dt00568a","","x-ray","1.54184","CuKα","","0.1034","0.0617","","","0.142","0.1576","","","","","","0.898","","","","has coordinates,has disorder","252790","2020-10-21","18:00:00",""
"7704080","35.673","0.0005","33.4826","0.0005","19.7402","0.0002","90","","90","","90","","23578.2","0.5","100","2","100","2","","","","","","","","9","F d d 2","F 2 -2d","43","","","","- C61.25 H55.75 Cl1.5 F6 Ir N5 O2.12 P S2 -","- C61.25 H55.75 Cl1.5 F6 Ir N5 O2.125 P S2 -","- C980 H892 Cl24 F96 Ir16 N80 O34 P16 S32 -","16","1","","Solomatina, Anastasia I.; Kuznetsov, Kirill M.; Gurzhiy, Vladislav V.; Pavlovskiy, Vladimir V.; Porsev, Vitaly V.; Evarestov, Robert A.; Tunik, Sergey P.","Luminescent organic dyes containing a phenanthro[9,10-D]imidazole core and [Ir(N^C)(N^N)]<sup>+</sup> complexes based on the cyclometalating and diimine ligands of this type.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6751","6763","10.1039/d0dt00568a","","x-ray","1.54184","CuKα","","0.0617","0.061","","","0.1578","0.159","","","","","","1.067","","","","has coordinates,has disorder","252790","2020-10-21","18:00:00",""
"7704081","6.658","0.0002","30.3359","0.0008","8.7411","0.0002","90","","90.952","0.001","90","","1765.25","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B11 Ba3 H5 O23 Pb -","- B11 Ba3 O23 Pb -","- B44 Ba12 O92 Pb4 -","4","1","","Kuo, Yu-Chen; Liu, Hsin-Kuan; Wang, Sue-Lein; Lii, Kwang-Hwa","High-temperature, high-pressure hydrothermal synthesis, crystal structure, and infrared and NMR spectroscopy of a barium lead borate with a 2D layer structure: [Ba<sub>3</sub>Pb(H<sub>2</sub>O)][B<sub>11</sub>O<sub>19</sub>(OH)<sub>3</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6220","6226","10.1039/d0dt01172j","","","0.71073","MoKα","","0.0368","0.0362","","","0.0894","0.0899","","","","","","1.072","","","","has coordinates","252773","2020-10-21","18:00:00",""
"7704082","9.1938","0.0008","9.302","0.001","10.8819","0.0011","92.223","0.004","113.075","0.003","113.397","0.004","764.66","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H40 Cl6 N4 Np O6 -","- C16 H40 Cl6 N4 Np O6 -","- C16 H40 Cl6 N4 Np O6 -","1","0.5","","Pyrch, Mikaela M.; Bjorklund, Jennifer L.; Williams, James M.; Parr Iv, Daniel L.; Mason, Sara E.; Leddy, Johna; Forbes, Tori Z.","Impacts of hydrogen bonding interactions with Np(v/vi)O<sub>2</sub>Cl<sub>4</sub> complexes: vibrational spectroscopy, redox behavior, and computational analysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6854","6866","10.1039/d0dt00848f","","","0.71073","MoKα","","0.0197","0.0189","","","0.0377","0.038","","","","","","1.051","","","","has coordinates","252785","2020-10-21","18:00:00",""
"7704083","7.3582","0.0004","20.4362","0.0011","14.4158","0.0008","90","","96.69","0.002","90","","2153","0.2","107","2","107","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 Cl4 N3 Np O5 -","- C12 H30 Cl4 N3 Np O5 -","- C48 H120 Cl16 N12 Np4 O20 -","4","1","","Pyrch, Mikaela M.; Bjorklund, Jennifer L.; Williams, James M.; Parr Iv, Daniel L.; Mason, Sara E.; Leddy, Johna; Forbes, Tori Z.","Impacts of hydrogen bonding interactions with Np(v/vi)O<sub>2</sub>Cl<sub>4</sub> complexes: vibrational spectroscopy, redox behavior, and computational analysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6854","6866","10.1039/d0dt00848f","","","0.71073","MoKα","","0.0139","0.0124","","","0.0293","0.0296","","","","","","1.167","","","","has coordinates","252785","2020-10-21","18:00:00",""
"7704084","8.4972","0.0003","14.6869","0.0005","21.5538","0.0012","90","","91.647","0.004","90","","2688.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H18 Bi2 I9 N3 -","- C3 H18 Bi2 I9 N3 -","- C12 H72 Bi8 I36 N12 -","4","1","","Zhang, Yi; Fadaei Tirani, Farzaneh; Pattison, Philip; Schenk-Joß, Kurt; Xiao, Zewen; Nazeeruddin, Mohammad Khaja; Gao, Peng","Zero-dimensional hybrid iodobismuthate derivatives: from structure study to photovoltaic application.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5815","5822","10.1039/d0dt00015a","","x-ray","0.6804","synchrotron","","0.0989","0.092","","","0.2803","0.2867","","","","","","1.211","","","","has coordinates","252804","2020-10-21","18:00:00",""
"7704085","8.53568","0.00006","8.53568","0.00006","21.7298","0.0002","90","","90","","120","","1371.08","0.019","230","2","230","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C3 H18 Bi2 I9 N3 -","- C3 H18 Bi2 I9 N3 -","- C6 H36 Bi4 I18 N6 -","2","0.0833333","","Zhang, Yi; Fadaei Tirani, Farzaneh; Pattison, Philip; Schenk-Joß, Kurt; Xiao, Zewen; Nazeeruddin, Mohammad Khaja; Gao, Peng","Zero-dimensional hybrid iodobismuthate derivatives: from structure study to photovoltaic application.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5815","5822","10.1039/d0dt00015a","","","0.6804","synchrotron","","0.0204","0.0187","","","0.0481","0.0488","","","","","","1.085","","","","has coordinates,has disorder","252804","2020-10-21","18:00:00",""
"7704086","8.5731","0.0001","8.5731","0.0001","21.7479","0.0003","90","","90","","120","","1384.28","0.03","293","1","293","1","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C3 H18 Bi2 I9 N3 -","- C3 H18 Bi2 I9 N3 -","- C6 H36 Bi4 I18 N6 -","2","0.0833333","","Zhang, Yi; Fadaei Tirani, Farzaneh; Pattison, Philip; Schenk-Joß, Kurt; Xiao, Zewen; Nazeeruddin, Mohammad Khaja; Gao, Peng","Zero-dimensional hybrid iodobismuthate derivatives: from structure study to photovoltaic application.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5815","5822","10.1039/d0dt00015a","","","0.6804","synchrotron","","0.0223","0.0203","","","0.0497","0.0506","","","","","","1.062","","","","has coordinates,has disorder","252804","2020-10-21","18:00:00",""
"7704087","18.94284","0.00014","18.83413","0.00012","9.13917","0.00006","90","","90","","90","","3260.6","0.04","100","1","100","1","","","","","","","","6","C m m a","-C 2a 2","67","","","","- C6 H36 Bi Cl3 I6 N6 -","- C6 H36 Bi Cl3 I6 N6 -","- C24 H144 Bi4 Cl12 I24 N24 -","4","0.25","","Zhang, Yi; Fadaei Tirani, Farzaneh; Pattison, Philip; Schenk-Joß, Kurt; Xiao, Zewen; Nazeeruddin, Mohammad Khaja; Gao, Peng","Zero-dimensional hybrid iodobismuthate derivatives: from structure study to photovoltaic application.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5815","5822","10.1039/d0dt00015a","","x-ray","0.6935","synchrotron","","0.0217","0.0217","","","0.0589","0.0589","","","","","","1.117","","","","has coordinates","252804","2020-10-21","18:00:00",""
"7704088","11.5817","0.0011","17.9358","0.0017","21.123","0.002","90","","90","","90","","4387.8","0.7","100","2","100.04","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H74 O4 P2 Pd -","- C44 H74 O4 P2 Pd -","- C176 H296 O16 P8 Pd4 -","4","1","","Becica, Joseph; Gaube, Gregory; Sabbers, William A.; Leitch, David C.","Oxidative addition of activated aryl-carboxylates to Pd(0): divergent reactivity dependant on temperature and structure.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16067","16071","10.1039/d0dt01119c","","","0.71073","MoKα","","0.0209","0.019","","","0.0428","0.0435","","","","","","1.068","","","","has coordinates","260775","2021-01-07","06:27:37",""
"7704089","13.5548","0.0009","13.7277","0.001","14.8809","0.001","67.878","0.001","74.021","0.001","86.4","0.002","2463.4","0.3","100","2","99.95","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H81.98 O4 P2 Pd -","- C54 H81.98 O4 P2 Pd -","- C108 H163.96 O8 P4 Pd2 -","2","1","","Becica, Joseph; Gaube, Gregory; Sabbers, William A.; Leitch, David C.","Oxidative addition of activated aryl-carboxylates to Pd(0): divergent reactivity dependant on temperature and structure.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16067","16071","10.1039/d0dt01119c","","","0.71073","MoKα","","0.0419","0.0342","","","0.0865","0.0912","","","","","","1.049","","","","has coordinates,has disorder","260775","2021-01-07","06:27:39",""
"7704090","14.905","0.007","24.92","0.012","10.988","0.005","90","","102.752","0.004","90","","3981","3","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Chloridotris{(4,4-dimethyloxazolin-2-yl)methyl}aminenickel(II)]tetraphenylborate","[Ni(TOAMe2)(Cl)](BPh4)","","- C42 H50 B Cl N4 Ni O3 -","- C42 H50 B Cl N4 Ni O3 -","- C168 H200 B4 Cl4 N16 Ni4 O12 -","4","1","","Terao, Ikumi; Horii, Sena; Nakazawa, Jun; Okamura, Masaya; Hikichi, Shiro","Efficient alkane hydroxylation catalysis of nickel(ii) complexes with oxazoline donor containing tripodal tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6108","6118","10.1039/d0dt00733a","","","0.71073","MoKα","","0.0788","0.0667","","","0.1871","0.1957","","","","","","1.077","","","","has coordinates","252817","2020-10-21","18:00:00",""
"7704091","12.0793","0.0006","13.4525","0.0005","15.135","0.0006","90","","111.02","0.002","90","","2295.73","0.17","133","2","133","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Chloridotris{((S)-4-tert-butyloxazolin-2-yl)methyl}aminenickel(II)]tetraphenylborate","[Ni(s-TOABu)(Cl)](BPh4)","","- C48 H62 B Cl N4 Ni O3 -","- C48 H62 B Cl N4 Ni O3 -","- C96 H124 B2 Cl2 N8 Ni2 O6 -","2","1","","Terao, Ikumi; Horii, Sena; Nakazawa, Jun; Okamura, Masaya; Hikichi, Shiro","Efficient alkane hydroxylation catalysis of nickel(ii) complexes with oxazoline donor containing tripodal tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6108","6118","10.1039/d0dt00733a","","","0.71073","MoKα","","0.0246","0.0214","","","0.0438","0.0443","","","","","","0.892","","","","has coordinates","252817","2020-10-21","18:00:00",""
"7704092","11.79","0.006","13.799","0.006","15.362","0.007","64.129","0.015","83.65","0.02","81.82","0.02","2222.6","1.8","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","[Ni(OAc)(TOAMe2)](BPh4)","[(Acetato){tris(4,4-dimethyl-2-oxazolylmethyl)amine}nickel(II)]tetraphenylborate","","- C44 H53 B N4 Ni O5 -","- C44 H53 B N4 Ni O5 -","- C88 H106 B2 N8 Ni2 O10 -","2","1","","Terao, Ikumi; Horii, Sena; Nakazawa, Jun; Okamura, Masaya; Hikichi, Shiro","Efficient alkane hydroxylation catalysis of nickel(ii) complexes with oxazoline donor containing tripodal tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6108","6118","10.1039/d0dt00733a","","","0.71073","MoKα","","0.0618","0.0437","","","","0.1589","","","","","","0.725","","","","has coordinates","252817","2020-10-21","18:00:00",""
"7704093","14.544","0.005","11.405","0.004","28.205","0.01","90","","102.024","0.004","90","","4576","3","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[nitratotris{(4,4-dimethyloxazolin-2-yl)methyl}aminenickel(II)]tetraphenylborate bisdichloromethane","[Ni(TOAMe2)(NO3)](BPh4)2CH2Cl2","","- C44 H54 B Cl4 N5 Ni O6 -","- C44 H54 B Cl4 N5 Ni O6 -","- C176 H216 B4 Cl16 N20 Ni4 O24 -","4","1","","Terao, Ikumi; Horii, Sena; Nakazawa, Jun; Okamura, Masaya; Hikichi, Shiro","Efficient alkane hydroxylation catalysis of nickel(ii) complexes with oxazoline donor containing tripodal tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6108","6118","10.1039/d0dt00733a","","","0.71073","MoKα","","0.0807","0.0661","","","0.1825","0.1974","","","","","","1.037","","","","has coordinates,has disorder","252817","2020-10-21","18:00:00",""
"7704094","63.3792","0.0017","58.8576","0.0015","9.7929","0.0002","90","","90","","90","","36530.9","1.5","113","2","113","2","","","","","","","","7","F d d 2","F 2 -2d","43","[(3-chlorobenzoato)aquatris{(4,4-dimethyloxazolin-2-yl)methyl}aminenickel(II)]tetraphenylborate","[Ni(mCBA)(TOAMe2)(OH2)](BPh4)","","- C49 H56 B Cl N4 Ni O6 -","- C49 H56 B Cl N4 Ni O6 -","- C1568 H1792 B32 Cl32 N128 Ni32 O192 -","32","2","","Terao, Ikumi; Horii, Sena; Nakazawa, Jun; Okamura, Masaya; Hikichi, Shiro","Efficient alkane hydroxylation catalysis of nickel(ii) complexes with oxazoline donor containing tripodal tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6108","6118","10.1039/d0dt00733a","","","0.71073","MoKα","","0.0394","0.037","","","0.0757","0.077","","","","","","1.152","","","","has coordinates","252817","2020-10-21","18:00:00",""
"7704095","9.4856","0.0004","26.4577","0.0014","13.9175","0.0007","90","","108.917","0.002","90","","3304.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 Co N2 O3 -","- C38 H50 Co N2 O3 -","- C152 H200 Co4 N8 O12 -","4","1","","Peng, Guo; Chen, Yue; Li, Bo; Zhang, Yi-Quan; Ren, Xiao-Ming","Bulky Schiff-base ligand supported Co(ii) single-ion magnets with zero-field slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5798","5802","10.1039/d0dt00790k","","","0.71073","MoKα","","0.0802","0.0444","","","0.0884","0.1011","","","","","","1.023","","","","has coordinates","252805","2020-10-21","18:00:00",""
"7704096","9.9489","0.0007","25.4584","0.0017","13.7446","0.001","90","","107.112","0.002","90","","3327.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Br2 Co N2 O3 -","- C36 H44 Br2 Co N2 O3 -","- C144 H176 Br8 Co4 N8 O12 -","4","1","","Peng, Guo; Chen, Yue; Li, Bo; Zhang, Yi-Quan; Ren, Xiao-Ming","Bulky Schiff-base ligand supported Co(ii) single-ion magnets with zero-field slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5798","5802","10.1039/d0dt00790k","","","0.71073","MoKα","","0.0906","0.0489","","","0.0925","0.1056","","","","","","1.036","","","","has coordinates","252805","2020-10-21","18:00:00",""
"7704097","12.6015","0.0013","7.4542","0.0008","15.1789","0.0016","90","","102.403","0.001","90","","1392.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 N O6 Pb -","- C15 H9 N O6 Pb -","- C60 H36 N4 O24 Pb4 -","4","1","","Zhao, Xue-Yan; Liang, Bing; Xiong, Ke-Cai; Shi, Yu-Wen; Yang, Si-Lei; Wei, Ting-Yu; Zhang, Hui; Zhang, Qing-Fu; Gai, Yan-Li","Two novel lead-based coordination polymers for luminescence sensing of anions, cations and small organic molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5695","5702","10.1039/d0dt00533a","","","0.71073","MoKα","","0.0243","0.0216","","","0.0529","0.054","","","","","","1.038","","","","has coordinates","252751","2020-10-21","18:00:00",""
"7704098","24.1364","0.0016","8.7914","0.0006","7.5418","0.0005","90","","90","","90","","1600.32","0.19","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15.5 H12 N O7 Pb -","- C15.5 H11 N O7 Pb -","- C62 H44 N4 O28 Pb4 -","4","1","","Zhao, Xue-Yan; Liang, Bing; Xiong, Ke-Cai; Shi, Yu-Wen; Yang, Si-Lei; Wei, Ting-Yu; Zhang, Hui; Zhang, Qing-Fu; Gai, Yan-Li","Two novel lead-based coordination polymers for luminescence sensing of anions, cations and small organic molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5695","5702","10.1039/d0dt00533a","","","0.71073","MoKα","","0.0251","0.0225","","","0.0521","0.0529","","","","","","1.076","","","","has coordinates","252751","2020-10-21","18:00:00",""
"7704099","9.429","0.0005","10.4037","0.0008","12.8727","0.0008","107.115","0.007","90.214","0.005","100.707","0.006","1183.54","0.14","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","1","","- C24 H28 Cl2 N4 Ni -","- C24 H28 Cl2 N4 Ni -","- C48 H56 Cl4 N8 Ni2 -","2","1","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","","0.71073","MoKα","","0.0444","0.0375","","","0.0811","0.0862","","","","","","1.041","","","","has coordinates","252792","2020-10-21","18:00:00",""
"7704100","9.0074","0.0005","9.9859","0.0006","11.7946","0.0006","87.05","0.004","75.671","0.004","71.025","0.005","971.54","0.1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cl2 N4 Ni -","- C20 H20 Cl2 N4 Ni -","- C40 H40 Cl4 N8 Ni2 -","2","1","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","","1.54184","CuKα","","0.0578","0.0563","","","0.1534","0.1554","","","","","","1.045","","","","has coordinates","252792","2020-10-21","18:00:00",""
"7704101","9.1097","0.0005","10.1284","0.0005","12.2167","0.0007","90.864","0.004","100.473","0.004","101.39","0.004","1085.07","0.1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","6","","- C23 H21 Cl2 N5 Ni -","- C23 H21 Cl2 N5 Ni -","- C46 H42 Cl4 N10 Ni2 -","2","1","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","","0.71073","MoKα","","0.0319","0.0278","","","0.062","0.0648","","","","","","1.057","","","","has coordinates","252792","2020-10-21","18:00:00",""
"7704102","13.7101","0.0008","14.8189","0.0006","17.3058","0.0008","90","","90","","90","","3516","0.3","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 Cl2 N4 Ni -","- C18 H14 Cl2 N4 Ni -","- C144 H112 Cl16 N32 Ni8 -","8","1","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","","0.71073","MoKα","","0.047","0.0358","","","0.0893","0.0975","","","","","","1.055","","","","has coordinates","252792","2020-10-21","18:00:00",""
"7704103","10.4316","0.0003","15.7887","0.0004","13.0106","0.0003","90","","100.576","0.002","90","","2106.46","0.1","100.03","0.11","100.03","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cl6.64 I1.36 N8 Ni2 -","- C38 H32 Cl6.6436 I1.3564 N8 Ni2 -","- C76 H64 Cl13.2872 I2.7128 N16 Ni4 -","2","0.5","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","","1.54184","CuKα","","0.0289","0.0271","","","0.0697","0.0707","","","","","","1.068","","","","has coordinates,has disorder","252792","2020-10-21","18:00:00",""
"7704104","13.3625","0.0002","14.1391","0.0002","20.0908","0.0002","90","","90","","90","","3795.83","0.09","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H18 Cl2 N4 Ni -","- C20 H18 Cl2 N4 Ni -","- C160 H144 Cl16 N32 Ni8 -","8","1","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","x-ray","1.54184","CuKα","","0.0281","0.0271","","","0.0747","0.0755","","","","","","1.057","","","","has coordinates","252792","2020-10-21","18:00:00",""
"7704105","29.279","0.004","10.4375","0.0013","4.6429","0.0006","90","","90","","90","","1418.9","0.3","100","0.1","100","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","HLc","","- C18 H16 N4 -","- C18 H16 N4 -","- C72 H64 N16 -","4","1","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","x-ray","1.54184","CuKα","","0.0475","0.0432","","","0.105","0.1092","","","","","","1.072","","","","has coordinates","252792","2020-10-21","18:00:00",""
"7704106","12.3109","0.0015","9.8915","0.0013","15.806","0.002","90","","108.517","0.007","90","","1825.1","0.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl4 N8 Ni2 -","- C36 H28 Cl4 N8 Ni2 -","- C72 H56 Cl8 N16 Ni4 -","2","0.5","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","","0.71073","MoKα","","0.0488","0.0294","","","0.0599","0.0672","","","","","","1.03","","","","has coordinates","252792","2020-10-21","18:00:00",""
"7704107","10.3761","0.0006","15.2932","0.0009","11.9597","0.0007","90","","95.102","0.001","90","","1890.29","0.19","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 I2 N4 Ni -","- C18 H14 I2 N4 Ni -","- C72 H56 I8 N16 Ni4 -","4","1","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","","0.71073","MoKα","","0.0322","0.0288","","","0.0694","0.0709","","","","","","1.127","","","","has coordinates","252792","2020-10-21","18:00:00",""
"7704108","8.6058","0.0004","10.9184","0.0004","11.7427","0.0004","68.67","0.003","83.291","0.003","89.466","0.003","1020.09","0.07","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C24 H26 N4 -","- C24 H26 N4 -","- C48 H52 N8 -","2","1","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","x-ray","1.54184","CuKα","","0.0383","0.0361","","","0.0972","0.0991","","","","","","1.055","","","","has coordinates","252792","2020-10-21","18:00:00",""
"7704109","9.6504","0.0004","14.5816","0.0005","12.5608","0.0004","90","","98.294","0.002","90","","1749.05","0.11","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Cl4 N8 Ni2 -","- C36 H32 Cl4 N8 Ni2 -","- C72 H64 Cl8 N16 Ni4 -","2","0.5","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","","0.71073","MoKα","","0.0423","0.0281","","","0.0609","0.0663","","","","","","1.047","","","","has coordinates","252792","2020-10-21","18:00:00",""
"7704110","19.0222","0.0004","12.3486","0.0002","20.4706","0.0004","90","","90.436","0.002","90","","4808.35","0.16","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Cl2 N4 Ni -","- C24 H26 Cl2 N4 Ni -","- C192 H208 Cl16 N32 Ni8 -","8","2","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","x-ray","1.54184","CuKα","","0.0492","0.0468","","","0.1267","0.1297","","","","","","1.039","","","","has coordinates","252792","2020-10-21","18:00:00",""
"7704111","13.272","0.009","9.007","0.008","5.04","0.003","90","","90","","90","","602.5","0.8","296","2","296","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Li2 Na2 O7 P2 -","- Li2 Na2 O7 P2 -","- Li8 Na8 O28 P8 -","4","0.5","","Wen, Ming; Hu, Cong; Wu, Hongping; Yang, Zhihua; Wu, Xiaohong; Pan, Shilie","Three diphosphates, α-Li<sub>2</sub>Na<sub>2</sub>P<sub>2</sub>O<sub>7</sub>, Li<sub>8</sub>Pb<sub>3</sub>Ba(P<sub>2</sub>O<sub>7</sub>)<sub>4</sub> and Li<sub>7</sub>Rb(P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: influences of co-substitution on the crystal structure.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6744","6750","10.1039/d0dt01070g","","","0.71073","MoKα","","0.0436","0.0386","","","0.0848","0.0877","","","","","","1.076","","","","has coordinates","252789","2020-10-21","18:00:00",""
"7704112","9.783","0.003","9.914","0.004","13.749","0.005","90","","90","","90","","1333.5","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Mg O15 P4 Pb4 -","- Mg O15 P4 Pb4 -","- Mg4 O60 P16 Pb16 -","4","1","","Wen, Ming; Hu, Cong; Wu, Hongping; Yang, Zhihua; Wu, Xiaohong; Pan, Shilie","Three diphosphates, α-Li<sub>2</sub>Na<sub>2</sub>P<sub>2</sub>O<sub>7</sub>, Li<sub>8</sub>Pb<sub>3</sub>Ba(P<sub>2</sub>O<sub>7</sub>)<sub>4</sub> and Li<sub>7</sub>Rb(P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: influences of co-substitution on the crystal structure.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6744","6750","10.1039/d0dt01070g","","","0.71073","MoKα","","0.0977","0.0647","","","0.1264","0.1468","","","","","","0.97","","","","has coordinates","252789","2020-10-21","18:00:00",""
"7704113","25.65","0.004","9.9763","0.0013","9.9245","0.0013","90","","109.709","0.003","90","","2390.8","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ba Li8 O28 P8 Pb3 -","- Ba Li8 O28 P8 Pb3 -","- Ba4 Li32 O112 P32 Pb12 -","4","0.5","","Wen, Ming; Hu, Cong; Wu, Hongping; Yang, Zhihua; Wu, Xiaohong; Pan, Shilie","Three diphosphates, α-Li<sub>2</sub>Na<sub>2</sub>P<sub>2</sub>O<sub>7</sub>, Li<sub>8</sub>Pb<sub>3</sub>Ba(P<sub>2</sub>O<sub>7</sub>)<sub>4</sub> and Li<sub>7</sub>Rb(P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: influences of co-substitution on the crystal structure.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6744","6750","10.1039/d0dt01070g","","","0.71073","MoKα","","0.0466","0.0386","","","0.0839","0.0876","","","","","","1.066","","","","has coordinates","252789","2020-10-21","18:00:00",""
"7704114","18.621","0.002","14.8023","0.0014","13.5101","0.0014","90","","102.987","0.004","90","","3628.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","18RPA009","","","- C36 H39 Au3 N6 -","- C36 H39 Au3 N6 -","- C144 H156 Au12 N24 -","4","1","","Ruiz, Javier; Sol, Daniel; Mateo, María A; Vivanco, Marilín; Badía-Laiño, Rosana","A new approach to the synthesis of trinuclear gold(i) imidazolate complexes and their silver(i)-induced photoluminescence behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6561","6565","10.1039/d0dt01246g","","","0.71073","MoKα","","0.073","0.0572","","","0.1288","0.1344","","","","","","1.21","","","","has coordinates,has disorder","252794","2020-10-21","18:00:00",""
"7704115","19.878","0.0005","7.8195","0.0002","20.0027","0.0005","90","","94.113","0.001","90","","3101.13","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DS-423","","","- C12 H15 Au3 N6 -","- C12 H15 Au3 N6 -","- C96 H120 Au24 N48 -","8","2","","Ruiz, Javier; Sol, Daniel; Mateo, María A; Vivanco, Marilín; Badía-Laiño, Rosana","A new approach to the synthesis of trinuclear gold(i) imidazolate complexes and their silver(i)-induced photoluminescence behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6561","6565","10.1039/d0dt01246g","","x-ray","0.71073","MoKα","","0.0654","0.0357","","","0.0595","0.067","","","","","","1.002","","","","has coordinates","252794","2020-10-21","18:00:00",""
"7704116","9.7911","0.0002","11.508","0.0002","11.9686","0.0002","90","","92.2034","0.0012","90","","1347.58","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","DS-603 - 18RPA006","","","- C12 H14 Au Cl N2 -","- C12 H14 Au Cl N2 -","- C48 H56 Au4 Cl4 N8 -","4","1","","Ruiz, Javier; Sol, Daniel; Mateo, María A; Vivanco, Marilín; Badía-Laiño, Rosana","A new approach to the synthesis of trinuclear gold(i) imidazolate complexes and their silver(i)-induced photoluminescence behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6561","6565","10.1039/d0dt01246g","","","0.71073","MoKα","","0.0463","0.0282","","","0.0517","0.056","","","","","","1.041","","","","has coordinates","252794","2020-10-21","18:00:00",""
"7704117","11.544","0.0011","18.4996","0.0018","20.653","0.002","81.069","0.003","87.896","0.003","76.262","0.003","4232.5","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H90 Ag Au6 B Cl6 F4 N12 -","- C78 H90 Ag Au6 B Cl6 F4 N12 -","- C156 H180 Ag2 Au12 B2 Cl12 F8 N24 -","2","1","","Ruiz, Javier; Sol, Daniel; Mateo, María A; Vivanco, Marilín; Badía-Laiño, Rosana","A new approach to the synthesis of trinuclear gold(i) imidazolate complexes and their silver(i)-induced photoluminescence behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6561","6565","10.1039/d0dt01246g","","x-ray","0.71073","MoKα","","0.0405","0.0269","","","0.0505","0.0544","","","","","","1.023","","","","has coordinates,has disorder","252794","2020-10-21","18:00:00",""
"7704118","11.7619","0.0005","23.8487","0.001","14.2711","0.0006","90","","101.465","0.001","90","","3923.3","0.3","100","","100.05","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H23 B F15 N P Re S3 -","- C40 H23 B F15 N P Re S3 -","- C160 H92 B4 F60 N4 P4 Re4 S12 -","4","1","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","Synthesis and reactivity of nitridorhenium complexes incorporating the mercaptoethylsulfide (SSS) ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6127","6134","10.1039/d0dt00631a","","","0.71073","MoKα","","0.02","0.0174","","","0.0423","0.0434","","","","","","1.078","","","","has coordinates","252800","2020-10-21","18:00:00",""
"7704119","11.511","0.004","8.675","0.003","16.414","0.006","90","","96.823","0.008","90","","1627.5","1","446","2","446","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N2 Re S3 -","- C12 H20 N2 Re S3 -","- C48 H80 N8 Re4 S12 -","4","1","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","Synthesis and reactivity of nitridorhenium complexes incorporating the mercaptoethylsulfide (SSS) ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6127","6134","10.1039/d0dt00631a","","","0.71073","MoKα","","0.0425","0.0357","","","0.083","0.0858","","","","","","0.994","","","","has coordinates","252800","2020-10-21","18:00:00",""
"7704120","13.1433","0.0003","13.2755","0.0003","14.1699","0.0003","107.595","0.001","99.184","0.001","111.442","0.001","2089.51","0.09","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H40 B Cl2 F4 N P Re S3 -","- C42 H40 B Cl2 F4 N P Re S3 -","- C84 H80 B2 Cl4 F8 N2 P2 Re2 S6 -","2","1","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","Synthesis and reactivity of nitridorhenium complexes incorporating the mercaptoethylsulfide (SSS) ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6127","6134","10.1039/d0dt00631a","","","0.71073","MoKα","","0.0431","0.0345","","","0.0886","0.093","","","","","","1.045","","","","has coordinates,has disorder","252800","2020-10-21","18:00:00",""
"7704121","12.0543","0.0003","11.8676","0.0003","12.4149","0.0003","90","","98.794","0.001","90","","1755.14","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H40 Cu F12 N4 O6 -","- C28 H40 Cu F12 N4 O6 -","- C56 H80 Cu2 F24 N8 O12 -","2","1","","Navarro, Yolanda; Guedes, Guilherme P.; Cano, Joan; Ocón, Pilar; Iglesias, María José; Lloret, Francisco; López-Ortiz, Fernando","Synthesis, structural characterization and electrochemical and magnetic studies of M(hfac)<sub>2</sub> (M = Cu<sup>II</sup>, Co<sup>II</sup>) and Nd(hfac)<sub>3</sub> complexes of 4-amino-TEMPO.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6280","6294","10.1039/d0dt00541j","","","1.54178","CuKα","","0.0308","0.0275","","","0.0639","0.0656","","","","","","1.021","","","","has coordinates","252778","2020-10-21","18:00:00",""
"7704122","20.826","0.002","21.226","0.002","12.0638","0.0012","90","","99.785","0.003","90","","5255.3","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Cu F12 N2 O5 -","- C19 H21 Cu F12 N2 O5 -","- C152 H168 Cu8 F96 N16 O40 -","8","1","","Navarro, Yolanda; Guedes, Guilherme P.; Cano, Joan; Ocón, Pilar; Iglesias, María José; Lloret, Francisco; López-Ortiz, Fernando","Synthesis, structural characterization and electrochemical and magnetic studies of M(hfac)<sub>2</sub> (M = Cu<sup>II</sup>, Co<sup>II</sup>) and Nd(hfac)<sub>3</sub> complexes of 4-amino-TEMPO.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6280","6294","10.1039/d0dt00541j","","","0.71073","MoKα","","0.1008","0.081","","","0.2203","0.2403","","","","","","1.064","","","","has coordinates,has disorder","252778","2020-10-21","18:00:00",""
"7704123","16.6805","0.0005","11.8287","0.0004","27.8879","0.0011","90","","105.118","0.002","90","","5312.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H45 F24 N4 Nd O11 -","- C38 H45 F24 N4 Nd O11 -","- C152 H180 F96 N16 Nd4 O44 -","4","1","","Navarro, Yolanda; Guedes, Guilherme P.; Cano, Joan; Ocón, Pilar; Iglesias, María José; Lloret, Francisco; López-Ortiz, Fernando","Synthesis, structural characterization and electrochemical and magnetic studies of M(hfac)<sub>2</sub> (M = Cu<sup>II</sup>, Co<sup>II</sup>) and Nd(hfac)<sub>3</sub> complexes of 4-amino-TEMPO.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6280","6294","10.1039/d0dt00541j","","","1.54178","CuKα","","0.0572","0.048","","","0.1155","0.1213","","","","","","1.042","","","","has coordinates,has disorder","252778","2020-10-21","18:00:00",""
"7704124","11.5195","0.0003","19.0369","0.0005","19.033","0.0006","90","","90.392","0.002","90","","4173.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Co F12 N4 O8 -","- C32 H48 Co F12 N4 O8 -","- C128 H192 Co4 F48 N16 O32 -","4","1","","Navarro, Yolanda; Guedes, Guilherme P.; Cano, Joan; Ocón, Pilar; Iglesias, María José; Lloret, Francisco; López-Ortiz, Fernando","Synthesis, structural characterization and electrochemical and magnetic studies of M(hfac)<sub>2</sub> (M = Cu<sup>II</sup>, Co<sup>II</sup>) and Nd(hfac)<sub>3</sub> complexes of 4-amino-TEMPO.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6280","6294","10.1039/d0dt00541j","","","1.54178","CuKα","","0.074","0.0616","","","0.1287","0.1355","","","","","","1.055","","","","has coordinates,has disorder","252778","2020-10-21","18:00:00",""
"7704125","18.3236","0.0005","18.3236","0.0005","15.2023","0.0008","90","","90","","90","","5104.2","0.3","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C76 H84 Cu4 F48 N8 O20 -","- C76 H84 Cu4 F48 N8 O20 -","- C152 H168 Cu8 F96 N16 O40 -","2","0.25","","Navarro, Yolanda; Guedes, Guilherme P.; Cano, Joan; Ocón, Pilar; Iglesias, María José; Lloret, Francisco; López-Ortiz, Fernando","Synthesis, structural characterization and electrochemical and magnetic studies of M(hfac)<sub>2</sub> (M = Cu<sup>II</sup>, Co<sup>II</sup>) and Nd(hfac)<sub>3</sub> complexes of 4-amino-TEMPO.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6280","6294","10.1039/d0dt00541j","","","0.71073","MoKα","","0.0474","0.0428","","","0.1079","0.1126","","","","","","1.034","","","","has coordinates","252778","2020-10-21","18:00:00",""
"7704126","16.4723","0.0009","24.244","0.0009","19.1309","0.0006","90","","93.463","0.004","90","","7626.1","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C63 H112 Cr K2 N8 O4 P4 -","- C63 H112 Cr K2 N8 O4 P4 -","- C252 H448 Cr4 K8 N32 O16 P16 -","4","0.5","","Su, Jing; Yin, Lei; Ouyang, Zhongwen; Wang, Zhenxing; Zheng, Wenjun","1,2-Diaza-4-phospholide complexes of chromium(ii): dipotassium organochromates behaving as single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6945","6949","10.1039/d0dt00878h","","x-ray","0.71073","MoKα","","0.0918","0.0537","","","0.1407","0.1636","","","","","","1.025","","","","has coordinates,has disorder","252840","2020-10-21","18:00:00",""
"7704127","24.1285","0.0018","16.1863","0.0011","18.8547","0.001","90","","101.428","0.006","90","","7217.7","0.8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H72 Cr K2 N8 O4 P4 -","- C72 H72 Cr K2 N8 O4 P4 -","- C288 H288 Cr4 K8 N32 O16 P16 -","4","0.5","","Su, Jing; Yin, Lei; Ouyang, Zhongwen; Wang, Zhenxing; Zheng, Wenjun","1,2-Diaza-4-phospholide complexes of chromium(ii): dipotassium organochromates behaving as single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6945","6949","10.1039/d0dt00878h","","x-ray","0.71073","MoKα","","0.1513","0.0776","","","0.1955","0.2488","","","","","","0.982","","","","has coordinates","252840","2020-10-21","18:00:00",""
"7704128","13.084","0.0008","15.8238","0.0009","8.6839","0.0005","90","","98.385","0.003","90","","1778.68","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(4-nacac-2-tertbutyl-phenanthridine)","","","- C22 H24 N2 O -","- C22 H24 N2 O -","- C88 H96 N8 O4 -","4","1","","Lozada, Issiah B.; Huang, Bin; Stilgenbauer, Morgan; Beach, Travis; Qiu, Zihan; Zheng, Yaorong; Herbert, David E.","Monofunctional platinum(ii) anticancer complexes based on multidentate phenanthridine-containing ligand frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6557","6560","10.1039/d0dt01275k","","","0.71073","MoKα","","0.0793","0.0594","","","0.141","0.1499","","","","","","1.101","","","","has coordinates","252796","2020-10-21","18:00:00",""
"7704129","6.9467","0.0003","18.7502","0.0006","18.4435","0.0006","90","","100.077","0.001","90","","2365.24","0.15","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cl4 N2 O Pt -","- C23 H24 Cl4 N2 O Pt -","- C92 H96 Cl16 N8 O4 Pt4 -","4","1","","Lozada, Issiah B.; Huang, Bin; Stilgenbauer, Morgan; Beach, Travis; Qiu, Zihan; Zheng, Yaorong; Herbert, David E.","Monofunctional platinum(ii) anticancer complexes based on multidentate phenanthridine-containing ligand frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6557","6560","10.1039/d0dt01275k","","","0.71073","MoKα","","0.0489","0.0326","","","0.0632","0.0677","","","","","","1.075","","","","has coordinates","252796","2020-10-21","18:00:00",""
"7704130","8.8652","0.0004","15.5584","0.0008","15.4688","0.0006","90","","97.047","0.004","90","","2117.47","0.17","295","0.2","295","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N2 O4 V -","- C23 H23 N2 O4 V -","- C92 H92 N8 O16 V4 -","4","1","","Choroba, Katarzyna; Raposo, Luis R.; Palion-Gazda, Joanna; Malicka, Ewa; Erfurt, Karol; Machura, Barbara; Fernandes, Alexandra R.","In vitro antiproliferative effect of vanadium complexes bearing 8-hydroxyquinoline-based ligands - the substituent effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6596","6606","10.1039/d0dt01017k","","","0.71073","MoKα","","0.0789","0.0583","","","0.1579","0.17","","","","","","1.06","","","","has coordinates","252793","2020-10-21","18:00:00",""
"7704131","10.1605","0.0012","7.5416","0.0008","9.999","0.0012","90","","90","","90","","766.19","0.15","110","2","110","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- Al2 H6 K2 O7 -","- Al2 H6 K2 O7 -","- Al8 H24 K8 O28 -","4","0.5","","Dembowski, Mateusz; Prange, Micah P.; Pouvreau, Maxime; Graham, Trent R.; Bowden, Mark E.; N'Diaye, Alpha; Schenter, Gregory K.; Clark, Sue B.; Clark, Aurora E.; Rosso, Kevin M.; Pearce, Carolyn I.","Inference of principal species in caustic aluminate solutions through solid-state spectroscopic characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5869","5880","10.1039/d0dt00229a","","","0.56086","AgKα","","0.0503","0.0367","","","0.0642","0.0677","","","","","","1.122","","","","has coordinates","252802","2020-10-21","18:00:00",""
"7704132","10.3511","0.0008","7.6823","0.0007","10.2481","0.0008","90","","90","","90","","814.93","0.12","110","2","110","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- Al2 H6 O7 Rb2 -","- Al2 H6 O7 Rb2 -","- Al8 H24 O28 Rb8 -","4","0.5","","Dembowski, Mateusz; Prange, Micah P.; Pouvreau, Maxime; Graham, Trent R.; Bowden, Mark E.; N'Diaye, Alpha; Schenter, Gregory K.; Clark, Sue B.; Clark, Aurora E.; Rosso, Kevin M.; Pearce, Carolyn I.","Inference of principal species in caustic aluminate solutions through solid-state spectroscopic characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5869","5880","10.1039/d0dt00229a","","","0.56086","AgKα","","0.0791","0.0426","","","0.0549","0.0619","","","","","","1.07","","","","has coordinates","252802","2020-10-21","18:00:00",""
"7704133","10.4124","0.0015","6.6986","0.001","6.2156","0.001","90","","126.129","0.004","90","","350.16","0.09","110","2","110","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- Al Cs H8 O6 -","- Al Cs O6 -","- Al2 Cs2 O12 -","2","0.5","","Dembowski, Mateusz; Prange, Micah P.; Pouvreau, Maxime; Graham, Trent R.; Bowden, Mark E.; N'Diaye, Alpha; Schenter, Gregory K.; Clark, Sue B.; Clark, Aurora E.; Rosso, Kevin M.; Pearce, Carolyn I.","Inference of principal species in caustic aluminate solutions through solid-state spectroscopic characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5869","5880","10.1039/d0dt00229a","","","0.56086","AgKα","","0.0274","0.0274","","","0.0786","0.0786","","","","","","1.207","","","","has coordinates","252802","2020-10-21","18:00:00",""
"7704134","19.9039","0.0003","16.3725","0.0002","38.5734","0.0005","90","","93.98","0.001","90","","12539.9","0.3","149.97","0.1","149.97","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C124 H161 F N12 P4 -","- C124 H161 F N12 P4 -","- C496 H644 F4 N48 P16 -","4","1","","Zhang, Xu; Chen, Xiaodan; Zhai, Haojiang; Liu, Shihua; Hu, Chenyang; Liu, Liu Leo; Wang, Shuhai; Li, Zhongshu","Facile addition of E-H bonds to a dicarbondiphosphide.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6384","6390","10.1039/d0dt01341b","","x-ray","1.54184","CuKα","","0.0844","0.0753","","","0.1982","0.2035","","","","","","1.052","","","","has coordinates,has disorder","252776","2020-10-21","18:00:00",""
"7704135","14.3667","0.0001","12.0332","0.0001","15.3119","0.0001","90","","96.611","0.001","90","","2629.48","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H78 N4 O P2 -","- C56 H78 N4 O P2 -","- C112 H156 N8 O2 P4 -","2","0.5","","Zhang, Xu; Chen, Xiaodan; Zhai, Haojiang; Liu, Shihua; Hu, Chenyang; Liu, Liu Leo; Wang, Shuhai; Li, Zhongshu","Facile addition of E-H bonds to a dicarbondiphosphide.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6384","6390","10.1039/d0dt01341b","","x-ray","1.54184","CuKα","","0.0446","0.0422","","","0.1088","0.1105","","","","","","1.054","","","","has coordinates","252776","2020-10-21","18:00:00",""
"7704136","22.9944","0.0004","13.1476","0.0002","19.4279","0.0003","90","","90","","90","","5873.47","0.16","235.01","0.1","235.01","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C63 H82 F3 N5 P2 -","- C63 H82 F3 N5 P2 -","- C252 H328 F12 N20 P8 -","4","1","","Zhang, Xu; Chen, Xiaodan; Zhai, Haojiang; Liu, Shihua; Hu, Chenyang; Liu, Liu Leo; Wang, Shuhai; Li, Zhongshu","Facile addition of E-H bonds to a dicarbondiphosphide.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6384","6390","10.1039/d0dt01341b","","x-ray","1.54184","CuKα","","0.0482","0.0424","","","0.1129","0.1182","","","","","","1.021","","","","has coordinates,has disorder","252776","2020-10-21","18:00:00",""
"7704137","12.715","0.0001","22.9346","0.0002","21.8186","0.0002","90","","99.435","0.001","90","","6276.53","0.1","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H82 N4 O P2 -","- C62 H82 N4 O P2 -","- C248 H328 N16 O4 P8 -","4","1","","Zhang, Xu; Chen, Xiaodan; Zhai, Haojiang; Liu, Shihua; Hu, Chenyang; Liu, Liu Leo; Wang, Shuhai; Li, Zhongshu","Facile addition of E-H bonds to a dicarbondiphosphide.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6384","6390","10.1039/d0dt01341b","","x-ray","1.54184","CuKα","","0.0507","0.0461","","","0.1268","0.1303","","","","","","1.06","","","","has coordinates,has disorder","252776","2020-10-21","18:00:00",""
"7704138","12.5962","0.0002","13.0948","0.0002","34.8018","0.0004","90","","90","","90","","5740.37","0.14","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C64 H82 N4 P2 -","- C64 H82 N4 P2 -","- C256 H328 N16 P8 -","4","1","","Zhang, Xu; Chen, Xiaodan; Zhai, Haojiang; Liu, Shihua; Hu, Chenyang; Liu, Liu Leo; Wang, Shuhai; Li, Zhongshu","Facile addition of E-H bonds to a dicarbondiphosphide.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6384","6390","10.1039/d0dt01341b","","x-ray","1.54184","CuKα","","0.0405","0.0371","","","0.0934","0.096","","","","","","1.033","","","","has coordinates","252776","2020-10-21","18:00:00",""
"7704139","12.4233","0.0001","33.6427","0.0003","12.6296","0.0001","90","","94.227","0.001","90","","5264.23","0.08","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H80 N4 O P2 -","- C57 H80 N4 O P2 -","- C228 H320 N16 O4 P8 -","4","1","","Zhang, Xu; Chen, Xiaodan; Zhai, Haojiang; Liu, Shihua; Hu, Chenyang; Liu, Liu Leo; Wang, Shuhai; Li, Zhongshu","Facile addition of E-H bonds to a dicarbondiphosphide.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6384","6390","10.1039/d0dt01341b","","x-ray","1.54184","CuKα","","0.0408","0.0385","","","0.0978","0.0995","","","","","","1.016","","","","has coordinates,has disorder","252776","2020-10-21","18:00:00",""
"7704140","13.3039","0.0003","22.5743","0.0007","26.5944","0.0006","67.479","0.002","80.235","0.002","81.533","0.002","7241.3","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C77 H94 D3 N4 O3 P2 -","- C77 H94 D3 N4 O3 P2 -","- C308 H376 D12 N16 O12 P8 -","4","2","","Zhang, Xu; Chen, Xiaodan; Zhai, Haojiang; Liu, Shihua; Hu, Chenyang; Liu, Liu Leo; Wang, Shuhai; Li, Zhongshu","Facile addition of E-H bonds to a dicarbondiphosphide.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6384","6390","10.1039/d0dt01341b","","x-ray","1.54184","CuKα","","0.0687","0.0531","","","0.1373","0.1498","","","","","","1.041","","","","has coordinates,has disorder","252776","2020-10-21","18:00:00",""
"7704141","26.2082","0.0009","21.2732","0.0009","22.2484","0.0008","90","","95.906","0.003","90","","12338.4","0.8","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C256 H334 N26 P8 -","- C252 H328 N24 P8 -","- C504 H656 N48 P16 -","2","0.5","","Zhang, Xu; Chen, Xiaodan; Zhai, Haojiang; Liu, Shihua; Hu, Chenyang; Liu, Liu Leo; Wang, Shuhai; Li, Zhongshu","Facile addition of E-H bonds to a dicarbondiphosphide.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6384","6390","10.1039/d0dt01341b","","x-ray","1.54184","CuKα","","0.1228","0.0639","","","0.1536","0.1739","","","","","","1.006","","","","has coordinates,has disorder","252776","2020-10-21","18:00:00",""
"7704142","11.3365","0.0003","11.3427","0.0003","17.7686","0.0006","71.578","0.003","80.431","0.002","80.447","0.002","2121.79","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H55 Au B N10 -","- C41 H55 Au B N10 -","- C82 H110 Au2 B2 N20 -","2","1","","Ángel-Jijón, Carlos; Rendón-Nava, David; Vazques-Pérez, Jose M; Álvarez-Hernández, Alejandro; Mendoza-Espinosa, Daniel; Salazar-Pereda, Verónica","NHC-Au(i) complexes bearing trispyrazolyl borate (Tp) ligands: efficient platforms for bimetallic species.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6199","6204","10.1039/d0dt00908c","","x-ray","1.54184","CuKα","","0.0362","0.0318","","","0.0795","0.0825","","","","","","1.01","","","","has coordinates","252772","2020-10-21","18:00:00",""
"7704143","10.6045","0.0004","11.9711","0.0004","20.2522","0.0008","97.609","0.003","102.029","0.003","93.076","0.003","2483.6","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H59 Au B N8 -","- C42 H58 Au B N8 -","- C84 H116 Au2 B2 N16 -","2","1","","Ángel-Jijón, Carlos; Rendón-Nava, David; Vazques-Pérez, Jose M; Álvarez-Hernández, Alejandro; Mendoza-Espinosa, Daniel; Salazar-Pereda, Verónica","NHC-Au(i) complexes bearing trispyrazolyl borate (Tp) ligands: efficient platforms for bimetallic species.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6199","6204","10.1039/d0dt00908c","","x-ray","0.71073","MoKα","","0.0938","0.0409","","","0.0728","0.0887","","","","","","1.008","","","","has coordinates","252772","2020-10-21","18:00:00",""
"7704144","10.7562","0.0004","12.2016","0.0004","16.3263","0.0005","92.925","0.003","97.466","0.003","115.809","0.004","1898.68","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 Au B N8 -","- C36 H46 Au B N8 -","- C72 H92 Au2 B2 N16 -","2","1","","Ángel-Jijón, Carlos; Rendón-Nava, David; Vazques-Pérez, Jose M; Álvarez-Hernández, Alejandro; Mendoza-Espinosa, Daniel; Salazar-Pereda, Verónica","NHC-Au(i) complexes bearing trispyrazolyl borate (Tp) ligands: efficient platforms for bimetallic species.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6199","6204","10.1039/d0dt00908c","","x-ray","0.71073","MoKα","","0.0547","0.0307","","","0.0476","0.0547","","","","","","1.059","","","","has coordinates","252772","2020-10-21","18:00:00",""
"7704145","9.709","0.007","14.458","0.01","26.69","0.02","90","","90","","90","","3747","5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H64 N6 Si4 Sn -","- C26 H64 N6 Si4 Sn -","- C104 H256 N24 Si16 Sn4 -","4","1","","Ungpittagul, Thasanaporn; Wongmahasirikun, Phonpimon; Phomphrai, Khamphee","Synthesis and characterization of guanidinate tin(ii) complexes for ring-opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8460","8471","10.1039/d0dt01115k","","","0.71073","MoKα","","0.0241","0.0223","","","0.052","0.0527","","","","","","1.038","","","","has coordinates","253899","2020-10-21","18:00:00",""
"7704146","9.9288","0.0009","17.5771","0.0014","14.6517","0.0012","90","","92.141","0.003","90","","2555.2","0.4","105","2","105","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H78 N6 O2 Si4 Sn2 -","- C40 H78 N6 O2 Si4 Sn2 -","- C80 H156 N12 O4 Si8 Sn4 -","2","0.5","","Ungpittagul, Thasanaporn; Wongmahasirikun, Phonpimon; Phomphrai, Khamphee","Synthesis and characterization of guanidinate tin(ii) complexes for ring-opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8460","8471","10.1039/d0dt01115k","","","0.71073","MoKα","","0.0233","0.0186","","","0.0436","0.0455","","","","","","1.074","","","","has coordinates","253899","2020-10-21","18:00:00",""
"7704147","9.0266","0.0005","15.8031","0.001","15.9397","0.001","67.3","0.002","83.976","0.002","83.677","0.002","2080","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H32 Cl N3 Si2 Sn -","- C13 H32 Cl0.9996 N3 Si2 Sn0.9996 -","- C52 H128 Cl3.9984 N12 Si8 Sn3.9984 -","4","2","","Ungpittagul, Thasanaporn; Wongmahasirikun, Phonpimon; Phomphrai, Khamphee","Synthesis and characterization of guanidinate tin(ii) complexes for ring-opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8460","8471","10.1039/d0dt01115k","","","0.71073","MoKα","","0.0647","0.0402","","","0.0721","0.0779","","","","","","1.031","","","","has coordinates,has disorder","253899","2020-10-21","18:00:00",""
"7704148","16.171","0.011","16.289","0.01","18.325","0.012","90","","95.01","0.02","90","","4809","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H80 N6 Si4 Sn -","- C38 H80 N6 Si4 Sn -","- C152 H320 N24 Si16 Sn4 -","4","1","","Ungpittagul, Thasanaporn; Wongmahasirikun, Phonpimon; Phomphrai, Khamphee","Synthesis and characterization of guanidinate tin(ii) complexes for ring-opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8460","8471","10.1039/d0dt01115k","","","0.71073","MoKα","","0.0316","0.0229","","","0.0531","0.0563","","","","","","1.058","","","","has coordinates","253899","2020-10-21","18:00:00",""
"7704149","15.001","0.0007","16.7068","0.0008","16.6727","0.0008","90","","90.289","0.0019","90","","4178.4","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H48.67 Cl Co2 F18 N10 O4.33 P3 -","- C26 H48.6666 Cl Co2 F18 N10 O4.3333 P3 -","- C104 H194.666 Cl4 Co8 F72 N40 O17.3332 P12 -","4","1","","Kozsup, Máté; Keogan, Donal M.; Fitzgerald-Hughes, Deirdre; Enyedy, Éva A; Twamley, Brendan; Buglyó, Péter; Griffith, Darren M.","Synthesis and characterisation of Co(iii) complexes of N-formyl hydroxylamines and antibacterial activity of a Co(iii) peptide deformylase inhibitor complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6980","6988","10.1039/d0dt01123a","","x-ray","0.71073","MoKα","","0.0617","0.0502","","","0.1142","0.1214","","","","","","1.03","","","","has coordinates,has disorder","252834","2020-10-21","18:00:00",""
"7704150","21.6357","0.001","9.0441","0.0004","17.7227","0.0008","90","","126.292","0.001","90","","2795.2","0.2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H42 F N7 O5 -","- C26 H42 F N7 O5 -","- C104 H168 F4 N28 O20 -","4","1","","Kozsup, Máté; Keogan, Donal M.; Fitzgerald-Hughes, Deirdre; Enyedy, Éva A; Twamley, Brendan; Buglyó, Péter; Griffith, Darren M.","Synthesis and characterisation of Co(iii) complexes of N-formyl hydroxylamines and antibacterial activity of a Co(iii) peptide deformylase inhibitor complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6980","6988","10.1039/d0dt01123a","","x-ray","0.71073","MoKα","","0.0432","0.037","","","0.088","0.0926","","","","","","1.047","","","","has coordinates,has disorder","252834","2020-10-21","18:00:00",""
"7704151","15.2195","0.0012","13.7845","0.0011","14.5792","0.0013","90","","105.564","0.003","90","","2946.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 Cl2 Co N5 O7 -","- C25 H34 Cl2 Co N5 O7 -","- C100 H136 Cl8 Co4 N20 O28 -","4","1","","Kozsup, Máté; Keogan, Donal M.; Fitzgerald-Hughes, Deirdre; Enyedy, Éva A; Twamley, Brendan; Buglyó, Péter; Griffith, Darren M.","Synthesis and characterisation of Co(iii) complexes of N-formyl hydroxylamines and antibacterial activity of a Co(iii) peptide deformylase inhibitor complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6980","6988","10.1039/d0dt01123a","","x-ray","0.71073","MoKα","","0.087","0.0697","","","0.1685","0.1798","","","","","","1.031","","","","has coordinates,has disorder","252834","2020-10-21","18:00:00",""
"7704152","10.8913","0.0008","11.6608","0.0008","19.6414","0.0015","90","","90","","90","","2494.5","0.3","301","2","301","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- H39 K3 Nb14 O58 Si -","- K3 Nb14 O58 Si -","- K6 Nb28 O116 Si2 -","2","0.25","","Zhang, Ting-Ting; Lin, Po-Han; Yu, Gui-Yang; Zhang, Xiao; Cui, Xiao-Bing","Syntheses, characterization and properties of two new dodeca-niobates presenting unprecedented features.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6495","6503","10.1039/d0dt00953a","","","0.71073","MoKα","","0.0845","0.0758","","","0.2183","0.229","","","","","","1.062","","","","has coordinates","252779","2020-10-21","18:00:00",""
"7704153","12.9876","0.0003","15.2026","0.0004","21.4184","0.0006","90.056","0.002","91.376","0.002","105.376","0.002","4076.3","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C37.25 H190.38 Cu9 N37.25 Nb24.63 O104.69 V5.37 -","- C37.252 H149.008 Cu9 N37.252 Nb24.626 O104.69 V5.374 -","- C37.252 H149.008 Cu9 N37.252 Nb24.626 O104.69 V5.374 -","1","0.5","","Zhang, Ting-Ting; Lin, Po-Han; Yu, Gui-Yang; Zhang, Xiao; Cui, Xiao-Bing","Syntheses, characterization and properties of two new dodeca-niobates presenting unprecedented features.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6495","6503","10.1039/d0dt00953a","","","0.71073","MoKα","","0.0748","0.0507","","","0.1212","0.1352","","","","","","1.098","","","","has coordinates,has disorder","252779","2020-10-21","18:00:00",""
"7704154","10.5246","0.0004","10.5246","0.0004","27.1616","0.0011","90","","90","","90","","3008.6","0.2","150","2","150","2","","","","","","","","6","I 4/m","-I 4","87","","CoPdCo2Pd(tpda)4Cl2","","- C61 H46 Cl4 Co3 N20 Pd2 -","- C61 H45 Cl4 Co3 N20 Pd2 -","- C122 H90 Cl8 Co6 N40 Pd4 -","2","0.125","","Cheng, Ming-Chuan; Huang, Rui-Xiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Lee, Gene-Hsiang; Song, You; Lin, Tien-Sung; Peng, Shie-Ming","Structures and paramagnetism of five heterometallic pentanuclear metal strings containing as many as four different metals: NiPtCo<sub>2</sub>Pd(tpda)<sub>4</sub>Cl<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7299","7303","10.1039/d0dt01088j","","","0.71073","MoKα","","0.0753","0.045","","","0.1203","0.1384","","","","","","1.087","","","","has coordinates,has disorder","253882","2020-10-21","18:00:00",""
"7704155","16.0911","0.0002","15.7779","0.0002","17.0753","0.0002","90","","97.7811","0.0008","90","","4295.23","0.09","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl2 Co2 N12 O Pt -","- C44 H42 Cl2 Co2 N12 O Pt -","- C176 H168 Cl8 Co8 N48 O4 Pt4 -","4","1","","Cheng, Ming-Chuan; Huang, Rui-Xiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Lee, Gene-Hsiang; Song, You; Lin, Tien-Sung; Peng, Shie-Ming","Structures and paramagnetism of five heterometallic pentanuclear metal strings containing as many as four different metals: NiPtCo<sub>2</sub>Pd(tpda)<sub>4</sub>Cl<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7299","7303","10.1039/d0dt01088j","","","0.71073","MoKα","","0.0631","0.0388","","","0.0814","0.0885","","","","","","0.977","","","","has coordinates","253882","2020-10-21","18:00:00",""
"7704156","10.5398","0.0006","10.5398","0.0006","27.112","0.0014","90","","90","","90","","3011.8","0.3","293","2","293","2","","","","","","","","7","I 4/m","-I 4","87","","CoPtCo2Pd(tpda)4Cl2","","- C60.5 H45 Cl3 Co3 N20 Pd Pt -","- C60.5 H44.5 Cl3 Co3 N20 Pd Pt -","- C121 H89 Cl6 Co6 N40 Pd2 Pt2 -","2","0.125","","Cheng, Ming-Chuan; Huang, Rui-Xiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Lee, Gene-Hsiang; Song, You; Lin, Tien-Sung; Peng, Shie-Ming","Structures and paramagnetism of five heterometallic pentanuclear metal strings containing as many as four different metals: NiPtCo<sub>2</sub>Pd(tpda)<sub>4</sub>Cl<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7299","7303","10.1039/d0dt01088j","","","0.71073","MoKα","","0.0534","0.0369","","","0.1102","0.1199","","","","","","1.078","","","","has coordinates,has disorder","253882","2020-10-21","18:00:00",""
"7704157","10.5523","0.0004","10.5523","0.0004","27.0046","0.0009","90","","90","","90","","3006.99","0.19","293","2","293","2","","","","","","","","8","I 4/m","-I 4","87","","NiPtCo2Pd(tpda)4Cl2","","- C60.5 H45 Cl3 Co2 N20 Ni Pd Pt -","- C60.5 H44.5 Cl3 Co2 N20 Ni Pd Pt -","- C121 H89 Cl6 Co4 N40 Ni2 Pd2 Pt2 -","2","0.125","","Cheng, Ming-Chuan; Huang, Rui-Xiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Lee, Gene-Hsiang; Song, You; Lin, Tien-Sung; Peng, Shie-Ming","Structures and paramagnetism of five heterometallic pentanuclear metal strings containing as many as four different metals: NiPtCo<sub>2</sub>Pd(tpda)<sub>4</sub>Cl<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7299","7303","10.1039/d0dt01088j","","","0.71073","MoKα","","0.0365","0.0287","","","0.0886","0.0961","","","","","","1.084","","","","has coordinates,has disorder","253882","2020-10-21","18:00:00",""
"7704158","20.0796","0.0002","15.9485","0.0002","21.4276","0.0003","90","","108.43","0.0007","90","","6510.02","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","CoPdCo3(tpda)4Cl2","","- C63 H50 Cl8 Co4 N20 Pd -","- C63 H50 Cl8 Co4 N20 Pd -","- C252 H200 Cl32 Co16 N80 Pd4 -","4","1","","Cheng, Ming-Chuan; Huang, Rui-Xiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Lee, Gene-Hsiang; Song, You; Lin, Tien-Sung; Peng, Shie-Ming","Structures and paramagnetism of five heterometallic pentanuclear metal strings containing as many as four different metals: NiPtCo<sub>2</sub>Pd(tpda)<sub>4</sub>Cl<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7299","7303","10.1039/d0dt01088j","","","0.71073","MoKα","","0.0872","0.0432","","","0.0999","0.1122","","","","","","1.036","","","","has coordinates,has disorder","253882","2020-10-21","18:00:00",""
"7704159","20.0753","0.0003","15.9501","0.0002","21.4567","0.0003","90","","108.447","0.0005","90","","6517.48","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","CoPtCo3(tpda)4Cl2","","- C63 H50 Cl8 Co4 N20 Pt -","- C63 H50 Cl8 Co4 N20 Pt -","- C252 H200 Cl32 Co16 N80 Pt4 -","4","1","","Cheng, Ming-Chuan; Huang, Rui-Xiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Lee, Gene-Hsiang; Song, You; Lin, Tien-Sung; Peng, Shie-Ming","Structures and paramagnetism of five heterometallic pentanuclear metal strings containing as many as four different metals: NiPtCo<sub>2</sub>Pd(tpda)<sub>4</sub>Cl<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7299","7303","10.1039/d0dt01088j","","","0.71073","MoKα","","0.0711","0.041","","","0.0983","0.1067","","","","","","1.057","","","","has coordinates,has disorder","253882","2020-10-21","18:00:00",""
"7704160","5.9824","0.0003","11.4997","0.0005","14.2042","0.0007","106.267","0.004","99.849","0.004","98.211","0.004","905.26","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 O6 Zn -","- C22 H18 O6 Zn -","- C44 H36 O12 Zn2 -","2","1","","Xu, Hao; Zeng, Xianghua; Pan, Wei; Zhang, Junyong; Cao, Yangzheng; Guo, Haiyang; Xie, Jingli","Structural diversity of metal-organic frameworks based on a chalcone dicarboxylic acid ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5783","5786","10.1039/d0dt00654h","","x-ray","1.54184","CuKα","","0.0452","0.0399","","","0.1036","0.1089","","","","","","1.07","","","","has coordinates","252810","2020-10-21","18:00:00",""
"7704161","5.99377","0.00017","20.9969","0.0006","14.6167","0.0005","90","","96.052","0.003","90","","1829.27","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cd O6 -","- C22 H18 Cd O6 -","- C88 H72 Cd4 O24 -","4","1","","Xu, Hao; Zeng, Xianghua; Pan, Wei; Zhang, Junyong; Cao, Yangzheng; Guo, Haiyang; Xie, Jingli","Structural diversity of metal-organic frameworks based on a chalcone dicarboxylic acid ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5783","5786","10.1039/d0dt00654h","","x-ray","1.54184","CuKα","","0.0819","0.073","","","0.1921","0.1999","","","","","","1.176","","","","has coordinates","252810","2020-10-21","18:00:00",""
"7704162","5.9985","0.0003","11.615","0.0009","14.3679","0.0009","107.3","0.006","99.607","0.005","100.199","0.005","914.63","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 Cd O6 -","- C22 H18 Cd O6 -","- C44 H36 Cd2 O12 -","2","1","","Xu, Hao; Zeng, Xianghua; Pan, Wei; Zhang, Junyong; Cao, Yangzheng; Guo, Haiyang; Xie, Jingli","Structural diversity of metal-organic frameworks based on a chalcone dicarboxylic acid ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5783","5786","10.1039/d0dt00654h","","x-ray","1.54184","CuKα","","0.0365","0.0321","","","0.0774","0.0814","","","","","","1.033","","","","has coordinates","252810","2020-10-21","18:00:00",""
"7704163","13.1049","0.0007","7.6167","0.0011","9.4788","0.0008","90","","90","","90","","946.14","0.17","293","","293","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al9 Ca2 Pt3 -","- Al9 Ca2 Pt3 -","- Al36 Ca8 Pt12 -","4","0.25","","Stegemann, Frank; Zhang, Yuemei; Fokwa, Boniface P. T.; Janka, Oliver","On the formation of the Gd<sub>3</sub>Ru<sub>4</sub>Al<sub>12</sub>versus the Y<sub>2</sub>Co<sub>3</sub>Ga<sub>9</sub> type structure - M<sub>3</sub>Rh<sub>4</sub>Al<sub>12</sub> (M = Ca, Eu) versus M<sub>2</sub>T<sub>3</sub>Al<sub>9</sub> (M = Ca, Sr, Eu, Yb; T = Ir, Pt).","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6398","6406","10.1039/d0dt00521e","","x-ray","0.71073","MoKα","","0.0554","0.0166","","","0.0302","0.0387","","","","0.98","0.98","0.84","","","","has coordinates","252775","2020-10-21","18:00:00",""
"7704164","8.8324","0.0004","8.8324","0.0004","9.5325","0.0005","90","","90","","120","","644.01","0.05","293","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al12 Ca3 Rh4 -","- Al12 Ca3 Rh4 -","- Al24 Ca6 Rh8 -","2","0.0833333","","Stegemann, Frank; Zhang, Yuemei; Fokwa, Boniface P. T.; Janka, Oliver","On the formation of the Gd<sub>3</sub>Ru<sub>4</sub>Al<sub>12</sub>versus the Y<sub>2</sub>Co<sub>3</sub>Ga<sub>9</sub> type structure - M<sub>3</sub>Rh<sub>4</sub>Al<sub>12</sub> (M = Ca, Eu) versus M<sub>2</sub>T<sub>3</sub>Al<sub>9</sub> (M = Ca, Sr, Eu, Yb; T = Ir, Pt).","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6398","6406","10.1039/d0dt00521e","","x-ray","0.71073","MoKα","","0.0167","0.0112","","","0.027","0.0286","","","","0.99","0.99","0.95","","","","has coordinates","252775","2020-10-21","18:00:00",""
"7704165","8.876","0.0004","8.876","0.0004","9.6122","0.0004","90","","90","","120","","655.83","0.05","293","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al12 Eu3 Rh4 -","- Al12 Eu3 Rh4 -","- Al24 Eu6 Rh8 -","2","0.0833333","","Stegemann, Frank; Zhang, Yuemei; Fokwa, Boniface P. T.; Janka, Oliver","On the formation of the Gd<sub>3</sub>Ru<sub>4</sub>Al<sub>12</sub>versus the Y<sub>2</sub>Co<sub>3</sub>Ga<sub>9</sub> type structure - M<sub>3</sub>Rh<sub>4</sub>Al<sub>12</sub> (M = Ca, Eu) versus M<sub>2</sub>T<sub>3</sub>Al<sub>9</sub> (M = Ca, Sr, Eu, Yb; T = Ir, Pt).","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6398","6406","10.1039/d0dt00521e","","x-ray","0.71073","MoKα","","0.0247","0.0202","","","0.0502","0.0509","","","","1.92","1.92","1.83","","","","has coordinates","252775","2020-10-21","18:00:00",""
"7704166","12.955","0.0003","7.5834","0.0005","9.6175","0.0004","90","","90","","90","","944.85","0.08","293","","293","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al9 Ca2 Ir3 -","- Al9 Ca2 Ir3 -","- Al36 Ca8 Ir12 -","4","0.25","","Stegemann, Frank; Zhang, Yuemei; Fokwa, Boniface P. T.; Janka, Oliver","On the formation of the Gd<sub>3</sub>Ru<sub>4</sub>Al<sub>12</sub>versus the Y<sub>2</sub>Co<sub>3</sub>Ga<sub>9</sub> type structure - M<sub>3</sub>Rh<sub>4</sub>Al<sub>12</sub> (M = Ca, Eu) versus M<sub>2</sub>T<sub>3</sub>Al<sub>9</sub> (M = Ca, Sr, Eu, Yb; T = Ir, Pt).","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6398","6406","10.1039/d0dt00521e","","x-ray","0.71073","MoKα","","0.0508","0.0214","","","0.0458","0.0496","","","","1.45","1.45","1.11","","","","has coordinates","252775","2020-10-21","18:00:00",""
"7704167","7.0921","0.0014","14.229","0.003","9.4303","0.0019","90","","94.57","0.03","90","","948.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 Be2 Cl4 N2 -","- C12 H30 Be2 Cl4 N2 -","- C24 H60 Be4 Cl8 N4 -","2","0.5","","Buchner, Magnus R.; Müller, Matthias; Spang, Nils","Probing the electronic boundaries between trigonal and tetrahedral coordination at beryllium.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7708","7712","10.1039/d0dt01442g","","","1.54186","CuKα","","0.0634","0.0456","","","0.1189","0.1343","","","","","","1.042","","","","has coordinates,has disorder","253915","2020-10-21","18:00:00",""
"7704168","7.8122","0.0003","9.8904","0.0003","13.0159","0.0005","90","","93.991","0.003","90","","1003.24","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Be Br2 N -","- C6 H15 Be Br2 N -","- C24 H60 Be4 Br8 N4 -","4","1","","Buchner, Magnus R.; Müller, Matthias; Spang, Nils","Probing the electronic boundaries between trigonal and tetrahedral coordination at beryllium.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7708","7712","10.1039/d0dt01442g","","","1.54178","CuKα","","0.0191","0.0187","","","0.0527","0.053","","","","","","1.144","","","","has coordinates","253915","2020-10-21","18:00:00",""
"7704169","12.2229","0.0003","10.8012","0.0003","13.2687","0.0003","90","","92.653","0.002","90","","1749.88","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H31 Be Cl3 N2 -","- C12 H31 Be Cl3 N2 -","- C48 H124 Be4 Cl12 N8 -","4","1","","Buchner, Magnus R.; Müller, Matthias; Spang, Nils","Probing the electronic boundaries between trigonal and tetrahedral coordination at beryllium.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7708","7712","10.1039/d0dt01442g","","","1.54178","CuKα","","0.0429","0.0318","","","0.0824","0.0862","","","","","","1.04","","","","has coordinates","253915","2020-10-21","18:00:00",""
"7704170","14.0352","0.0002","14.0352","0.0002","12.0689","0.0002","90","","90","","90","","2377.41","0.06","100","2","100","2","","","","","","","","5","P -4","P -4","81","","","","- C14 H34 Be1.5 Cl7 N2 -","- C14 H34 Be1.5 Cl7 N2 -","- C56 H136 Be6 Cl28 N8 -","4","1","","Buchner, Magnus R.; Müller, Matthias; Spang, Nils","Probing the electronic boundaries between trigonal and tetrahedral coordination at beryllium.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7708","7712","10.1039/d0dt01442g","","","1.54178","CuKα","","0.0284","0.028","","","0.0831","0.0835","","","","","","1.039","","","","has coordinates,has disorder","253915","2020-10-21","18:00:00",""
"7704171","7.5575","0.0001","11.6638","0.0002","13.2585","0.0002","90","","98.333","0.001","90","","1156.39","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Be I2 N -","- C6 H15 Be I2 N -","- C24 H60 Be4 I8 N4 -","4","1","","Buchner, Magnus R.; Müller, Matthias; Spang, Nils","Probing the electronic boundaries between trigonal and tetrahedral coordination at beryllium.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7708","7712","10.1039/d0dt01442g","","","1.54178","CuKα","","0.0369","0.0359","","","0.0977","0.0987","","","","","","1.055","","","","has coordinates","253915","2020-10-21","18:00:00",""
"7704172","11.0572","0.0003","8.7404","0.0002","13.093","0.0003","90","","91.947","0.002","90","","1264.63","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H17 Be Cl4 N -","- C7 H17 Be Cl4 N -","- C28 H68 Be4 Cl16 N4 -","4","1","","Buchner, Magnus R.; Müller, Matthias; Spang, Nils","Probing the electronic boundaries between trigonal and tetrahedral coordination at beryllium.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7708","7712","10.1039/d0dt01442g","","","1.54178","CuKα","","0.0432","0.0405","","","0.1258","0.1283","","","","","","1.081","","","","has coordinates","253915","2020-10-21","18:00:00",""
"7704173","17.825","0.0009","11.1737","0.0006","18.7813","0.0009","90","","115.091","0.001","90","","3387.7","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H44 Hf N2 Si -","- C39 H44 Hf N2 Si -","- C156 H176 Hf4 N8 Si4 -","4","1","","Kulyabin, Pavel S.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z.; Canich, Jo Ann M.; Hagadorn, John R.","Pyridylamido hafnium complexes with a silylene bridge: synthesis and olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6693","6702","10.1039/d0dt01031f","","x-ray","0.71073","MoKα","","0.0301","0.0243","","","0.0567","0.0586","","","","","","1.055","","","","has coordinates","252788","2020-10-21","18:00:00",""
"7704174","10.6765","0.0009","11.0521","0.001","15.8719","0.0014","98.919","0.004","95.327","0.004","106.367","0.004","1756.7","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H44 Hf N2 Si -","- C41 H44 Hf N2 Si -","- C82 H88 Hf2 N4 Si2 -","2","1","","Kulyabin, Pavel S.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z.; Canich, Jo Ann M.; Hagadorn, John R.","Pyridylamido hafnium complexes with a silylene bridge: synthesis and olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6693","6702","10.1039/d0dt01031f","","","0.71073","MoKα","","0.0281","0.0236","","","0.0531","0.0551","","","","","","1.048","","","","has coordinates","252788","2020-10-21","18:00:00",""
"7704175","18.805","0.003","11.0536","0.0019","19.59","0.003","90","","116.015","0.003","90","","3659.5","1","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H46 Hf N2 Si -","- C43 H46 Hf N2 Si -","- C172 H184 Hf4 N8 Si4 -","4","1","","Kulyabin, Pavel S.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z.; Canich, Jo Ann M.; Hagadorn, John R.","Pyridylamido hafnium complexes with a silylene bridge: synthesis and olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6693","6702","10.1039/d0dt01031f","","","0.71073","MoKα","","0.0283","0.0219","","","0.0492","0.0526","","","","","","1.033","","","","has coordinates","252788","2020-10-21","18:00:00",""
"7704176","9.7827","0.0004","10.8823","0.0005","17.9126","0.0008","90.629","0.001","92.415","0.001","111.607","0.001","1770.65","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C40.5 H44 Hf N2 Si -","- C40.5 H44 Hf N2 Si -","- C81 H88 Hf2 N4 Si2 -","2","1","","Kulyabin, Pavel S.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z.; Canich, Jo Ann M.; Hagadorn, John R.","Pyridylamido hafnium complexes with a silylene bridge: synthesis and olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6693","6702","10.1039/d0dt01031f","","","0.71073","MoKα","","0.0284","0.0228","","","0.0512","0.0532","","","","","","1.023","","","","has coordinates,has disorder","252788","2020-10-21","18:00:00",""
"7704177","16.539","0.003","16.867","0.005","17.917","0.004","75.33","0.02","65.839","0.018","71.128","0.019","4272.7","1.9","123","2","123","2","","","","","","","","9","P -1","-P 1","2","","","","- C82 H94 Br2 Cl2 Co2 F0 N10 O12 P0 -","- C82 H94 Br2 Cl2 Co2 N10 O12 -","- C164 H188 Br4 Cl4 Co4 N20 O24 -","2","1","","Zhu, Xiao-Quan; Cao, Wen-Hai; Su, Shao-Dong; Wu, Xin-Tao; Sheng, Tian-Lu","Effects of ligand substituents on the single-molecule magnetic behavior of quinonoid-bridged dicobalt compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6738","6743","10.1039/d0dt00033g","","","0.71073","MoKα","","0.1053","0.0658","","","0.1605","0.1859","","","","","","0.994","","","","has coordinates","252784","2020-10-21","18:00:00",""
"7704178","23.12","0.02","16.952","0.013","25.161","0.017","90","","121.52","","90","","8406","11","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C160 H186 Cl4 Co4 N18 O25 -","- C160 H186 Cl4 Co4 N18 O25 -","- C320 H372 Cl8 Co8 N36 O50 -","2","0.5","","Zhu, Xiao-Quan; Cao, Wen-Hai; Su, Shao-Dong; Wu, Xin-Tao; Sheng, Tian-Lu","Effects of ligand substituents on the single-molecule magnetic behavior of quinonoid-bridged dicobalt compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6738","6743","10.1039/d0dt00033g","","","0.71073","MoKα","","0.1053","0.0846","","","0.1915","0.2078","","","","","","1.013","","","","has coordinates","252784","2020-10-21","18:00:00",""
"7704179","18.947","0.005","16.237","0.004","31.011","0.006","90","","114.933","0.012","90","","8651","4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C173 H208 Cl6 Co4 N22 O28 -","- C173 H208 Cl6 Co4 N22 O28 -","- C346 H416 Cl12 Co8 N44 O56 -","2","0.5","","Zhu, Xiao-Quan; Cao, Wen-Hai; Su, Shao-Dong; Wu, Xin-Tao; Sheng, Tian-Lu","Effects of ligand substituents on the single-molecule magnetic behavior of quinonoid-bridged dicobalt compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6738","6743","10.1039/d0dt00033g","","","0.71073","MoKα","","0.0775","0.0679","","","0.183","0.195","","","","","","1.011","","","","has coordinates","252784","2020-10-21","18:00:00",""
"7704180","22.586","0.002","11.7778","0.0012","17.703","0.003","90","","126.618","0.002","90","","3779.8","0.8","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H60 Li2 Mg N4 O4 -","- C34 H60 Li2 Mg N4 O4 -","- C136 H240 Li8 Mg4 N16 O16 -","4","0.5","","Guo, Zhiqiang; Pang, Tengfei; Wang, Yakong; Zhang, Yongbin; Wei, Xuehong","Alkali-metal organomagnesiate complexes as catalysts for highly chemoselective crossed-Tishchenko reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6418","6424","10.1039/d0dt01114b","","","0.71073","MoKα","","0.1635","0.0795","","","0.1336","0.1826","","","","","","0.989","","","","has coordinates","252777","2020-10-21","18:00:00",""
"7704181","8.2096","0.0012","8.2608","0.0012","9.391","0.0013","76.231","0.006","81.102","0.005","84.399","0.005","609.9","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 Br O2 -","- C14 H11 Br O2 -","- C28 H22 Br2 O4 -","2","1","","Guo, Zhiqiang; Pang, Tengfei; Wang, Yakong; Zhang, Yongbin; Wei, Xuehong","Alkali-metal organomagnesiate complexes as catalysts for highly chemoselective crossed-Tishchenko reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6418","6424","10.1039/d0dt01114b","","","0.71076","MoKα","","0.0567","0.0448","","","0.0859","0.0899","","","","","","1.129","","","","has coordinates","252777","2020-10-21","18:00:00",""
"7704182","18.5707","0.0007","17.223","0.0006","15.7369","0.0006","90","","112.561","0.001","90","","4648.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H77 Mg2 N8 Na2 -","- C38 H77 Mg2 N8 Na2 -","- C152 H308 Mg8 N32 Na8 -","4","1","","Guo, Zhiqiang; Pang, Tengfei; Wang, Yakong; Zhang, Yongbin; Wei, Xuehong","Alkali-metal organomagnesiate complexes as catalysts for highly chemoselective crossed-Tishchenko reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6418","6424","10.1039/d0dt01114b","","","0.71073","MoKα","","0.094","0.0704","","","0.1882","0.2121","","","","","","1.036","","","","has coordinates,has disorder","252777","2020-10-21","18:00:00",""
"7704183","7.1524","0.0007","9.2277","0.001","10.941","0.0011","76.639","0.004","70.963","0.004","77.997","0.003","657.2","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Br N O4 -","- C14 H10 Br N O4 -","- C28 H20 Br2 N2 O8 -","2","1","","Guo, Zhiqiang; Pang, Tengfei; Wang, Yakong; Zhang, Yongbin; Wei, Xuehong","Alkali-metal organomagnesiate complexes as catalysts for highly chemoselective crossed-Tishchenko reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6418","6424","10.1039/d0dt01114b","","","0.71073","MoKα","","0.0269","0.0248","","","0.0816","0.0851","","","","","","1.06","","","","has coordinates","252777","2020-10-21","18:00:00",""
"7704184","17.2336","0.0006","19.0795","0.0006","24.5532","0.0008","90","","90","","90","","8073.3","0.5","136","2","135.93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H66 Mg2 N4 Na2 O2 -","- C34 H66 Mg2 N4 Na2 O2 -","- C272 H528 Mg16 N32 Na16 O16 -","8","1","","Guo, Zhiqiang; Pang, Tengfei; Wang, Yakong; Zhang, Yongbin; Wei, Xuehong","Alkali-metal organomagnesiate complexes as catalysts for highly chemoselective crossed-Tishchenko reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6418","6424","10.1039/d0dt01114b","","","0.71073","MoKα","","0.0666","0.0561","","","0.147","0.1617","","","","","","1.062","","","","has coordinates,has disorder","252777","2020-10-21","18:00:00",""
"7704185","10.2705","0.0001","38.3219","0.0003","9.6139","0.0001","90","","99.199","0.001","90","","3735.22","0.06","253","0.1","253","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H41 Mn O4 P2 -","- C44 H41 Mn O4 P2 -","- C176 H164 Mn4 O16 P8 -","4","1","","Kadassery, Karthika J.; Crawley, Matthew R.; MacMillan, Samantha N.; Lacy, David C.","A hemilabile manganese(I)-phenol complex and its coordination induced O-H bond weakening.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16217","16225","10.1039/d0dt00973c","","x-ray","1.54184","CuKα","","0.0373","0.0336","","","0.0809","0.0846","","","","","","1.048","","","","has coordinates","260790","2021-01-07","06:31:09",""
"7704186","17.6945","0.0003","12.1223","0.0001","20.1275","0.0003","90","","95.436","0.001","90","","4297.89","0.1","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H46 Cl2 Mn N O4 P2 -","- C46 H44 Mn N O4 P2 -","- C184 H176 Mn4 N4 O16 P8 -","4","1","","Kadassery, Karthika J.; Crawley, Matthew R.; MacMillan, Samantha N.; Lacy, David C.","A hemilabile manganese(I)-phenol complex and its coordination induced O-H bond weakening.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16217","16225","10.1039/d0dt00973c","","x-ray","1.54184","CuKα","","0.0401","0.0383","","","0.1054","0.1068","","","","","","1.042","","","","has coordinates","260790","2021-01-07","06:31:20",""
"7704187","15.2772","0.0006","15.5914","0.0004","22.7448","0.0007","90","","106.623","0.004","90","","5191.2","0.3","120","0.1","120","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H82 Br3 Ho N12 O9 P4 -","- C24 H82 Br3 Ho N12 O9 P4 -","- C96 H328 Br12 Ho4 N48 O36 P16 -","4","1","","Li, Lei-Lei; Su, Hong-Dan; Liu, Shuang; Wang, Wen-Zhen","Enhancing the energy barrier by replacing the counterions in two holmium(iii)-pentagonal bipyramidal single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6703","6709","10.1039/d0dt00905a","","x-ray","0.71073","MoKα","","0.0521","0.042","","","0.0609","0.067","","","","","","0.984","","","","has coordinates,has disorder","252795","2020-10-21","18:00:00",""
"7704188","11.3789","0.0009","38.503","0.003","19.9088","0.0016","90","","101.95","0.002","90","","8533.5","1.2","293","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H132 Cl6 Ho2 N18 O18 P6 -","- C36 H132 Cl6 Ho2 N18 O18 P6 -","- C144 H528 Cl24 Ho8 N72 O72 P24 -","4","1","","Li, Lei-Lei; Su, Hong-Dan; Liu, Shuang; Wang, Wen-Zhen","Enhancing the energy barrier by replacing the counterions in two holmium(iii)-pentagonal bipyramidal single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6703","6709","10.1039/d0dt00905a","","","0.71073","MoKα","","0.0985","0.0501","","","0.0954","0.1145","","","","","","1.014","","","","has coordinates,has disorder","252795","2020-10-21","18:00:00",""
"7704189","38.6072","0.0015","14.9578","0.0006","17.7771","0.0008","90","","115.3","0.0012","90","","9281.2","0.7","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C86 H64 Cl8 F6 N30 Ni5 P Ru2 S2 -","- C86 H64 Cl8 F6 N30 Ni5 P Ru2 S2 -","- C344 H256 Cl32 F24 N120 Ni20 P4 Ru8 S8 -","4","0.5","","Chiu, Cheng-Chang; Cheng, Ming-Chuan; Lin, Sheng-Hsiang; Yan, Cheng-Wei; Lee, Gene-Hsiang; Chang, Mu-Chieh; Lin, Tien-Sung; Peng, Shie-Ming","Structure and magnetic properties of a novel heteroheptanuclear metal string complex [Ni<sub>3</sub>Ru<sub>2</sub>Ni<sub>2</sub>(μ<sub>7</sub>-teptra)<sub>4</sub>(NCS)<sub>2</sub>](PF<sub>6</sub>).","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6635","6643","10.1039/d0dt00156b","","","0.71073","MoKα","","0.0649","0.0422","","","0.1032","0.1305","","","","","","1.095","","","","has coordinates,has disorder","252786","2020-10-21","18:00:00",""
"7704190","5.83485","0.00014","17.7768","0.0006","20.0446","0.0005","90","","90","","90","","2079.13","0.1","160","1","160","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 Fe N3 O2 S -","- C23 H25 Fe N3 O2 S -","- C92 H100 Fe4 N12 O8 S4 -","4","1","","Lin, Yan; Ong, Yih Ching; Keller, Sarah; Karges, Johannes; Bouchene, Rafika; Manoury, Eric; Blacque, Olivier; Müller, Joachim; Anghel, Nicoleta; Hemphill, Andrew; Häberli, Cécile; Taki, Aya C.; Gasser, Robin B.; Cariou, Kevin; Keiser, Jennifer; Gasser, Gilles","Synthesis, characterization and antiparasitic activity of organometallic derivatives of the anthelmintic drug albendazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6616","6626","10.1039/d0dt01107j","","x-ray","1.54184","CuKα","","0.0558","0.0485","","","0.1225","0.1265","","","","","","1.037","","","","has coordinates","252791","2020-10-21","18:00:00",""
"7704191","14.3677","0.0005","5.7086","0.0002","24.4132","0.0007","90","","97.675","0.003","90","","1984.42","0.11","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N3 O2 Ru S -","- C23 H25 N3 O2 Ru S -","- C92 H100 N12 O8 Ru4 S4 -","4","1","","Lin, Yan; Ong, Yih Ching; Keller, Sarah; Karges, Johannes; Bouchene, Rafika; Manoury, Eric; Blacque, Olivier; Müller, Joachim; Anghel, Nicoleta; Hemphill, Andrew; Häberli, Cécile; Taki, Aya C.; Gasser, Robin B.; Cariou, Kevin; Keiser, Jennifer; Gasser, Gilles","Synthesis, characterization and antiparasitic activity of organometallic derivatives of the anthelmintic drug albendazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6616","6626","10.1039/d0dt01107j","","x-ray","1.54184","CuKα","","0.0371","0.0309","","","0.0743","0.0765","","","","","","1.002","","","","has coordinates","252791","2020-10-21","18:00:00",""
"7704192","16.3901","0.0005","5.60261","0.00016","23.944","0.0006","90","","92.292","0.003","90","","2196.95","0.11","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","to be completed","","- C25 H27 Fe N3 O2 S -","- C25 H27 Fe N3 O2 S -","- C100 H108 Fe4 N12 O8 S4 -","4","1","","Lin, Yan; Ong, Yih Ching; Keller, Sarah; Karges, Johannes; Bouchene, Rafika; Manoury, Eric; Blacque, Olivier; Müller, Joachim; Anghel, Nicoleta; Hemphill, Andrew; Häberli, Cécile; Taki, Aya C.; Gasser, Robin B.; Cariou, Kevin; Keiser, Jennifer; Gasser, Gilles","Synthesis, characterization and antiparasitic activity of organometallic derivatives of the anthelmintic drug albendazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6616","6626","10.1039/d0dt01107j","","x-ray","1.54184","CuKα","","0.1048","0.0595","","","0.1333","0.1563","","","","","","1.018","","","","has coordinates","252791","2020-10-21","18:00:00",""
"7704193","17.25","0.004","9.3653","0.0015","16.656","0.004","90","","118.132","0.007","90","","2372.9","0.9","298","2","297.8","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","{[YFe(CN)6](PNO)2(H2O)4}(H2O),ZhangY-15Dec04e","","","- C16 H20 Fe N8 O7 Y -","- C16 H20 Fe N8 O7 Y -","- C64 H80 Fe4 N32 O28 Y4 -","4","0.5","","Xue, An-Qi; Liu, Yang-Yu; Li, Jia-Xin; Zhang, Yan; Meng, Yin-Shan; Zhu, Wen-Hua; Zhang, Yi-Quan; Sun, Hao-Ling; Wang, Fei; Qiu, Guan-Xia; Liang, Lu-Yu; Wang, Xiang; Gao, Song","The differential magnetic relaxation behaviours of slightly distorted triangular dodecahedral dysprosium analogues in a type of cyano-bridged 3d-4f zig-zag chain compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6867","6875","10.1039/d0dt00990c","","","0.71073","MoKα","","0.0522","0.0331","","","0.0707","0.0777","","","","","","1.056","","","","has coordinates","252799","2020-10-21","18:00:00",""
"7704194","17.167","0.0013","9.3455","0.0007","16.549","0.002","90","","117.999","0.003","90","","2344.3","0.4","298","2","298.6","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","{[DyCo(CN)6](PNO)2(H2O)4}(H2O),15Dec07a","","","- C16 H20 Co Dy N8 O7 -","- C16 H20 Co Dy N8 O7 -","- C64 H80 Co4 Dy4 N32 O28 -","4","0.5","","Xue, An-Qi; Liu, Yang-Yu; Li, Jia-Xin; Zhang, Yan; Meng, Yin-Shan; Zhu, Wen-Hua; Zhang, Yi-Quan; Sun, Hao-Ling; Wang, Fei; Qiu, Guan-Xia; Liang, Lu-Yu; Wang, Xiang; Gao, Song","The differential magnetic relaxation behaviours of slightly distorted triangular dodecahedral dysprosium analogues in a type of cyano-bridged 3d-4f zig-zag chain compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6867","6875","10.1039/d0dt00990c","","","0.71073","MoKα","","0.0278","0.0228","","","0.0468","0.0485","","","","","","1.066","","","","has coordinates","252799","2020-10-21","18:00:00",""
"7704195","17.337","0.005","9.3823","0.0019","16.651","0.007","90","","118.219","0.007","90","","2386.6","1.3","292","2","291.7","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","{[DyFe(CN)6](PNO)2(H2O)4}(H2O),15Jan23f","","","- C16 H20 Dy Fe N8 O7 -","- C16 H20 Dy Fe N8 O7 -","- C64 H80 Dy4 Fe4 N32 O28 -","4","0.5","","Xue, An-Qi; Liu, Yang-Yu; Li, Jia-Xin; Zhang, Yan; Meng, Yin-Shan; Zhu, Wen-Hua; Zhang, Yi-Quan; Sun, Hao-Ling; Wang, Fei; Qiu, Guan-Xia; Liang, Lu-Yu; Wang, Xiang; Gao, Song","The differential magnetic relaxation behaviours of slightly distorted triangular dodecahedral dysprosium analogues in a type of cyano-bridged 3d-4f zig-zag chain compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6867","6875","10.1039/d0dt00990c","","","0.71073","MoKα","","0.0636","0.0413","","","0.0643","0.0708","","","","","","1.023","","","","has coordinates","252799","2020-10-21","18:00:00",""
"7704196","22.41","0.003","22.131","0.003","18.447","0.003","90","","108.832","0.002","90","","8659","2","193","","193","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C57 H72 Ag F21 N24 O9 P2 Pt6 S7 -","- C57 H72 Ag F21 N24 O9 P2 Pt6 S7 -","- C228 H288 Ag4 F84 N96 O36 P8 Pt24 S28 -","4","0.5","","Yabune, Natsuki; Nakajima, Hiroshi; Nishioka, Takanori","Metal-metal bond formation of triplatinum cores with a silver(i) ion affording a heptanuclear cluster bearing four Pt-Ag bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7680","7683","10.1039/d0dt01227k","","","0.71075","MoKα","","0.0421","0.0377","","","0.0922","0.0952","","","","","","1.054","","","","has coordinates","253922","2020-10-21","18:00:00",""
"7704197","38.466","0.007","18.519","0.003","28.967","0.005","90","","113.924","0.0016","90","","18862","6","193","","193","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 Cl F3 N12 O3 Pt3 S3 -","- C28 H36 Cl F3 N12 O3 Pt3 S3 -","- C448 H576 Cl16 F48 N192 O48 Pt48 S48 -","16","2","","Yabune, Natsuki; Nakajima, Hiroshi; Nishioka, Takanori","Metal-metal bond formation of triplatinum cores with a silver(i) ion affording a heptanuclear cluster bearing four Pt-Ag bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7680","7683","10.1039/d0dt01227k","","","0.71075","MoKα","","0.0699","0.0651","","","0.1769","0.1813","","","","","","1.095","","","","has coordinates","253922","2020-10-21","18:00:00",""
"7704198","10.553","0.002","14.046","0.003","14.758","0.003","92.22","0.03","108.48","0.03","97.02","0.03","2052.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C100 H110 Ca2 N6 -","- C100 H110 Ca2 N6 -","- C100 H110 Ca2 N6 -","1","0.5","","Dawkins, Michael J. C.; Simonov, Alexandr N.; Jones, Cameron","2,6-Diiminopyridine complexes of group 2 metals: synthesis, characterisation and redox behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6627","6634","10.1039/d0dt01278e","","","0.7109","Synchrotron","","0.0432","0.0398","","","0.1042","0.1068","","","","","","1.055","","","","has coordinates","252787","2020-10-21","18:00:00",""
"7704199","10.582","0.002","14.1","0.003","14.769","0.003","91.27","0.03","108.93","0.03","96.4","0.03","2067.5","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C100 H110 N6 Sr2 -","- C100 H110 N6 Sr2 -","- C100 H110 N6 Sr2 -","1","0.5","","Dawkins, Michael J. C.; Simonov, Alexandr N.; Jones, Cameron","2,6-Diiminopyridine complexes of group 2 metals: synthesis, characterisation and redox behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6627","6634","10.1039/d0dt01278e","","","0.7109","Synchrotron","","0.0413","0.0359","","","0.0868","0.0894","","","","","","1.062","","","","has coordinates","252787","2020-10-21","18:00:00",""
"7704200","14.0702","0.001","19.231","0.0013","15.6894","0.0012","90","","105.232","0.003","90","","4096.2","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H47 Ca I2 N3 -","- C43 H47 Ca I2 N3 -","- C172 H188 Ca4 I8 N12 -","4","1","","Dawkins, Michael J. C.; Simonov, Alexandr N.; Jones, Cameron","2,6-Diiminopyridine complexes of group 2 metals: synthesis, characterisation and redox behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6627","6634","10.1039/d0dt01278e","","","0.71073","MoKα","","0.136","0.0589","","","0.1261","0.1601","","","","","","1.035","","","","has coordinates,has disorder","252787","2020-10-21","18:00:00",""
"7704201","8.398","0.0017","27.96","0.006","17.207","0.003","90","","101.17","0.03","90","","3963.8","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H57 Mg N3 O -","- C47 H57 Mg N3 O -","- C188 H228 Mg4 N12 O4 -","4","1","","Dawkins, Michael J. C.; Simonov, Alexandr N.; Jones, Cameron","2,6-Diiminopyridine complexes of group 2 metals: synthesis, characterisation and redox behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6627","6634","10.1039/d0dt01278e","","","0.7109","Synchrotron","","0.0626","0.0461","","","0.1082","0.1169","","","","","","1.056","","","","has coordinates","252787","2020-10-21","18:00:00",""
"7704202","10.538","0.002","14.14","0.003","14.454","0.003","87.98","0.03","75.31","0.03","85.85","0.03","2077.6","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C100 H110 Ba2 N6 -","- C100 H110 Ba2 N6 -","- C100 H110 Ba2 N6 -","1","0.5","","Dawkins, Michael J. C.; Simonov, Alexandr N.; Jones, Cameron","2,6-Diiminopyridine complexes of group 2 metals: synthesis, characterisation and redox behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6627","6634","10.1039/d0dt01278e","","","0.7109","Synchrotron","","0.0333","0.0302","","","0.0745","0.0759","","","","","","1.064","","","","has coordinates,has disorder","252787","2020-10-21","18:00:00",""
"7704203","21.635","0.0009","21.6488","0.0008","17.4647","0.0006","90","","93.448","0.001","90","","8165.2","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H47 I2 Mg N3 -","- C43 H47 I2 Mg N3 -","- C344 H376 I16 Mg8 N24 -","8","2","","Dawkins, Michael J. C.; Simonov, Alexandr N.; Jones, Cameron","2,6-Diiminopyridine complexes of group 2 metals: synthesis, characterisation and redox behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6627","6634","10.1039/d0dt01278e","","","0.71073","MoKα","","0.0752","0.0386","","","0.0583","0.0661","","","","","","0.861","","","","has coordinates","252787","2020-10-21","18:00:00",""
"7704204","9.662","0.0019","25.268","0.005","17.731","0.004","90","","92.75","0.03","90","","4323.9","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H63 Mg N3 O2 -","- C51 H63 Mg N3 O2 -","- C204 H252 Mg4 N12 O8 -","4","1","","Dawkins, Michael J. C.; Simonov, Alexandr N.; Jones, Cameron","2,6-Diiminopyridine complexes of group 2 metals: synthesis, characterisation and redox behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6627","6634","10.1039/d0dt01278e","","","0.7109","Synchrotron","","0.0952","0.0642","","","0.147","0.1644","","","","","","1.049","","","","has coordinates","252787","2020-10-21","18:00:00",""
"7704205","11.024","0.002","14.654","0.003","26.069","0.005","97.74","0.03","100.95","0.03","109.95","0.03","3794.7","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H47 I Mg N3 -","- C43 H47 I Mg N3 -","- C172 H188 I4 Mg4 N12 -","4","2","","Dawkins, Michael J. C.; Simonov, Alexandr N.; Jones, Cameron","2,6-Diiminopyridine complexes of group 2 metals: synthesis, characterisation and redox behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6627","6634","10.1039/d0dt01278e","","","0.7109","Synchrotron","","0.0689","0.0446","","","0.0924","0.1013","","","","","","1.031","","","","has coordinates","252787","2020-10-21","18:00:00",""
"7704206","14.5559","0.00004","18.2554","0.00004","17.9135","0.00004","90","","103.15","0.004","90","","4635.22","0.08","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H72 F42 N10 O12 Yb2 -","- C66 H72 F42 N10 O12 Yb2 -","- C132 H144 F84 N20 O24 Yb4 -","2","0.5","","Richardson, Paul; Gálico, Diogo Alves; Ovens, Jeffrey; Sigoli, Fernando A.; Murugesu, Muralee","Incorporation of a nitrogen-rich energetic ligand in a {Yb} complex exhibiting slow relaxation of the magnetisation under an applied field.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10344","10348","10.1039/d0dt00696c","","","0.71073","MoKα","","0.1469","0.1036","","0.0679","0.0651","0.0679","","","","","","0.8545","","","","has coordinates,has disorder","257519","2020-10-21","18:00:00",""
"7704207","8.5144","0.0004","25.1345","0.0008","15.3247","0.0006","90","","98.919","0.003","90","","3239.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 Fe P2 -","- C40 H40 Fe P2 -","- C160 H160 Fe4 P8 -","4","1","","Dey, Subhayan; Buzsáki, Daniel; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf","Bulky 1,1'-bisphosphanoferrocenes and their coordination behaviour towards Cu(i).","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6668","6681","10.1039/d0dt00941e","","x-ray","0.71073","MoKα","","0.082","0.0543","","","0.1119","0.1302","","","","","","1.076","","","","has coordinates","252797","2020-10-21","18:00:00",""
"7704208","10.4268","0.0004","13.356","0.0005","16.4319","0.0007","90","","103.866","0.003","90","","2221.63","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H52 Fe P2 Se2 -","- C46 H52 Fe P2 Se2 -","- C92 H104 Fe2 P4 Se4 -","2","0.5","","Dey, Subhayan; Buzsáki, Daniel; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf","Bulky 1,1'-bisphosphanoferrocenes and their coordination behaviour towards Cu(i).","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6668","6681","10.1039/d0dt00941e","","x-ray","0.71073","MoKα","","0.0378","0.0316","","","0.0795","0.0829","","","","","","1.049","","","","has coordinates","252797","2020-10-21","18:00:00",""
"7704209","31.3894","0.0012","14.2794","0.0004","26.1071","0.0011","90","","143.827","0.002","90","","6906.7","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 Fe P2 Se2 -","- C40 H40 Fe P2 Se2 -","- C320 H320 Fe8 P16 Se16 -","8","1","","Dey, Subhayan; Buzsáki, Daniel; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf","Bulky 1,1'-bisphosphanoferrocenes and their coordination behaviour towards Cu(i).","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6668","6681","10.1039/d0dt00941e","","x-ray","0.71073","MoKα","","0.0746","0.0452","","","0.105","0.1441","","","","","","1.034","","","","has coordinates","252797","2020-10-21","18:00:00",""
"7704210","8.4912","0.0004","23.5605","0.0007","23.4724","0.0009","90","","90.731","0.003","90","","4695.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Br Fe P -","- C28 H30 Br Fe P -","- C224 H240 Br8 Fe8 P8 -","8","2","","Dey, Subhayan; Buzsáki, Daniel; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf","Bulky 1,1'-bisphosphanoferrocenes and their coordination behaviour towards Cu(i).","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6668","6681","10.1039/d0dt00941e","","x-ray","0.71073","MoKα","","0.0705","0.0541","","","0.131","0.147","","","","","","1.025","","","","has coordinates","252797","2020-10-21","18:00:00",""
"7704211","12.6946","0.0006","15.431","0.0005","17.5511","0.0008","90","","98.194","0.004","90","","3403","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Br Cu Fe P2 -","- C40 H40 Br Cu Fe P2 -","- C160 H160 Br4 Cu4 Fe4 P8 -","4","1","","Dey, Subhayan; Buzsáki, Daniel; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf","Bulky 1,1'-bisphosphanoferrocenes and their coordination behaviour towards Cu(i).","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6668","6681","10.1039/d0dt00941e","","x-ray","1.54186","CuKα","","0.0722","0.0634","","","0.1718","0.1828","","","","","","1.094","","","","has coordinates","252797","2020-10-21","18:00:00",""
"7704212","12.8168","0.0004","19.2843","0.0005","16.9754","0.0005","90","","97.048","0.003","90","","4164","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 B Cu F4 Fe N2 P2 -","- C44 H46 B Cu F4 Fe N2 P2 -","- C176 H184 B4 Cu4 F16 Fe4 N8 P8 -","4","1","","Dey, Subhayan; Buzsáki, Daniel; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf","Bulky 1,1'-bisphosphanoferrocenes and their coordination behaviour towards Cu(i).","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6668","6681","10.1039/d0dt00941e","","x-ray","0.71073","MoKα","","0.0487","0.0408","","","0.1073","0.1204","","","","","","1.078","","","","has coordinates,has disorder","252797","2020-10-21","18:00:00",""
"7704213","33.3874","0.0012","9.2825","0.0002","34.0895","0.0011","90","","92.551","0.003","90","","10554.5","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 Br4 Cu2 Fe2 P2 -","- C56 H60 Br4 Cu2 Fe2 P2 -","- C448 H480 Br32 Cu16 Fe16 P16 -","8","1","","Dey, Subhayan; Buzsáki, Daniel; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf","Bulky 1,1'-bisphosphanoferrocenes and their coordination behaviour towards Cu(i).","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6668","6681","10.1039/d0dt00941e","","x-ray","1.54186","CuKα","","0.0671","0.0631","","","0.1763","0.1814","","","","","","1.063","","","","has coordinates","252797","2020-10-21","18:00:00",""
"7704214","12.8345","0.0003","15.7867","0.0004","25.8517","0.0006","90","","103.724","0.002","90","","5088.4","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H104 Br4 Cu4 Fe2 P4 -","- C92 H104 Br4 Cu4 Fe2 P4 -","- C184 H208 Br8 Cu8 Fe4 P8 -","2","0.5","","Dey, Subhayan; Buzsáki, Daniel; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf","Bulky 1,1'-bisphosphanoferrocenes and their coordination behaviour towards Cu(i).","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6668","6681","10.1039/d0dt00941e","","x-ray","1.54186","CuKα","","0.0529","0.0482","","","0.1308","0.1362","","","","","","1.051","","","","has coordinates","252797","2020-10-21","18:00:00",""
"7704215","20.647","0.003","12.9366","0.0009","20.2887","0.0017","90","","91.935","0.01","90","","5416.1","1","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[Ce(Htp)2(BH4)]2","","- C48 H88 B2 Ce2 P4 -","- C48 H88 B2 Ce2 P4 -","- C192 H352 B8 Ce8 P16 -","4","0.5","","Liu, Jingjing; Nodaraki, Lydia E.; Cobb, Philip J.; Giansiracusa, Marcus J.; Ortu, Fabrizio; Tuna, Floriana; Mills, David P.","Synthesis and characterisation of light lanthanide bis-phospholyl borohydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6504","6511","10.1039/d0dt01241f","","x-ray","1.54184","CuKα","","0.1223","0.0925","","","0.2215","0.2417","","","","","","1.071","","","","has coordinates","252768","2020-10-21","18:00:00",""
"7704216","20.4242","0.0011","12.8734","0.0009","20.6935","0.0018","90","","94.177","0.007","90","","5426.5","0.7","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[Sm(Htp)2(BH4)]2","","- C48 H88 B2 P4 Sm2 -","- C48 H88 B2 P4 Sm2 -","- C192 H352 B8 P16 Sm8 -","4","0.5","","Liu, Jingjing; Nodaraki, Lydia E.; Cobb, Philip J.; Giansiracusa, Marcus J.; Ortu, Fabrizio; Tuna, Floriana; Mills, David P.","Synthesis and characterisation of light lanthanide bis-phospholyl borohydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6504","6511","10.1039/d0dt01241f","","x-ray","1.54184","CuKα","","0.1396","0.0809","","","0.2104","0.2508","","","","","","1.043","","","","has coordinates,has disorder","252768","2020-10-21","18:00:00",""
"7704217","20.7897","0.001","12.9165","0.0004","20.3007","0.0006","90","","92.015","0.004","90","","5448","0.4","159","2","159","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[La(Htp)2(BH4)]2","","- C48 H88 B2 La2 P4 -","- C48 H88 B2 La2 P4 -","- C192 H352 B8 La8 P16 -","4","0.5","","Liu, Jingjing; Nodaraki, Lydia E.; Cobb, Philip J.; Giansiracusa, Marcus J.; Ortu, Fabrizio; Tuna, Floriana; Mills, David P.","Synthesis and characterisation of light lanthanide bis-phospholyl borohydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6504","6511","10.1039/d0dt01241f","","","1.54184","CuKα","","0.1123","0.0982","","","0.2536","0.2657","","","","","","1.0628","","","","has coordinates,has disorder","252768","2020-10-21","18:00:00",""
"7704218","10.679","0.0002","21.0788","0.0004","18.755","0.0005","90","","98.041","0.002","90","","4180.25","0.16","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[La(Htp)2(BH4)2K(DME)2]2","","- C64 H136 B4 K2 La2 O8 P4 -","- C64 H136 B4 K2 La2 O8 P4 -","- C128 H272 B8 K4 La4 O16 P8 -","2","0.5","","Liu, Jingjing; Nodaraki, Lydia E.; Cobb, Philip J.; Giansiracusa, Marcus J.; Ortu, Fabrizio; Tuna, Floriana; Mills, David P.","Synthesis and characterisation of light lanthanide bis-phospholyl borohydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6504","6511","10.1039/d0dt01241f","","x-ray","0.71073","MoKα","","0.0392","0.0278","","","0.0579","0.0611","","","","","","1.046","","","","has coordinates,has disorder","252768","2020-10-21","18:00:00",""
"7704219","20.3618","0.0013","12.8239","0.0019","20.685","0.003","90","","93.734","0.01","90","","5389.8","1.2","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[Nd(Htp)2(BH4)]2","","- C48 H88 B2 Nd2 P4 -","- C48 H88 B2 Nd2 P4 -","- C192 H352 B8 Nd8 P16 -","4","0.5","","Liu, Jingjing; Nodaraki, Lydia E.; Cobb, Philip J.; Giansiracusa, Marcus J.; Ortu, Fabrizio; Tuna, Floriana; Mills, David P.","Synthesis and characterisation of light lanthanide bis-phospholyl borohydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6504","6511","10.1039/d0dt01241f","","x-ray","0.71073","MoKα","","0.254","0.1188","","","0.2827","0.3781","","","","","","0.988","","","","has coordinates,has disorder","252768","2020-10-21","18:00:00",""
"7704220","10.6463","0.0004","21.0099","0.0009","18.7079","0.0008","90","","98.442","0.004","90","","4139.2","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Ce(Htp)2(BH4)2K(DME)2]2","","- C64 H136 B4 Ce2 K2 O8 P4 -","- C64 H136 B4 Ce2 K2 O8 P4 -","- C128 H272 B8 Ce4 K4 O16 P8 -","2","0.5","","Liu, Jingjing; Nodaraki, Lydia E.; Cobb, Philip J.; Giansiracusa, Marcus J.; Ortu, Fabrizio; Tuna, Floriana; Mills, David P.","Synthesis and characterisation of light lanthanide bis-phospholyl borohydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6504","6511","10.1039/d0dt01241f","","x-ray","0.71073","MoKα","","0.0719","0.0475","","","0.0772","0.0859","","","","","","1.024","","","","has coordinates,has disorder","252768","2020-10-21","18:00:00",""
"7704221","19.861","0.001","15.8524","0.0006","12.8759","0.0007","90","","106.613","0.006","90","","3884.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Ce(Htp)2(BH4)2K(THF)(Et2O)]n","","- C32 H66 B2 Ce K O2 P2 -","- C32 H66 B2 Ce K O2 P2 -","- C128 H264 B8 Ce4 K4 O8 P8 -","4","1","","Liu, Jingjing; Nodaraki, Lydia E.; Cobb, Philip J.; Giansiracusa, Marcus J.; Ortu, Fabrizio; Tuna, Floriana; Mills, David P.","Synthesis and characterisation of light lanthanide bis-phospholyl borohydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6504","6511","10.1039/d0dt01241f","","x-ray","0.71073","MoKα","","0.0821","0.0464","","","0.0767","0.087","","","","","","1.022","","","","has coordinates,has disorder","252768","2020-10-21","18:00:00",""
"7704222","11.5267","0.0006","10.329","0.0005","36.2615","0.0019","90","","98.4471","0.0018","90","","4270.4","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Clip)OsCl2 . EtOAc","2,2'-biphenylenediamido-N,N'-bis(2-oxy-3,5-di-tertbutylphenyl)-dichloroosmium(VI) ethyl acetate solvate","","- C44 H56 Cl2 N2 O4 Os -","- C44 H56 Cl2 N2 O4 Os -","- C176 H224 Cl8 N8 O16 Os4 -","4","1","","Gianino, Jacqueline; Brown, Seth N.","Highly covalent metal-ligand π bonding in chelated bis- and tris(iminoxolene) complexes of osmium and ruthenium.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7015","7027","10.1039/d0dt01287d","","","0.71073","MoKα","","0.0416","0.028","","","0.0557","0.0605","","","","","","1.009","","","","has coordinates,has disorder","252835","2020-10-21","18:00:00",""
"7704223","9.87","0.007","23.816","0.019","19.126","0.014","90","","90.1","0.02","90","","4496","6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Clip)Os(py)2","2,2'-Biphenylbis((2-oxy-3,5-di-tert-butylphenyl)amido)-bis(pyridine)osmium(IV)","","- C50 H58 N4 O2 Os -","- C50 H58 N4 O2 Os -","- C200 H232 N16 O8 Os4 -","4","1","","Gianino, Jacqueline; Brown, Seth N.","Highly covalent metal-ligand π bonding in chelated bis- and tris(iminoxolene) complexes of osmium and ruthenium.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7015","7027","10.1039/d0dt01287d","","","0.71073","MoKα","","0.0721","0.0606","","","0.1495","0.1544","","","","","","1.219","","","","has coordinates","252835","2020-10-21","18:00:00",""
"7704224","12.2048","0.0011","28.05","0.003","17.3586","0.0016","90","","92.9257","0.0013","90","","5934.9","1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(MeClamp)Os","[Tris(2-(3',5'-di-tert-butyl-2'-oxyphenyl)amido-4- methylphenyl)amine]osmium(VI)","","- C63 H78 N4 O3 Os -","- C63 H78 N4 O3 Os -","- C252 H312 N16 O12 Os4 -","4","1","","Gianino, Jacqueline; Brown, Seth N.","Highly covalent metal-ligand π bonding in chelated bis- and tris(iminoxolene) complexes of osmium and ruthenium.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7015","7027","10.1039/d0dt01287d","","","0.71073","MoKα","","0.0472","0.0297","","","0.0536","0.0573","","","","","","1.002","","","","has coordinates","252835","2020-10-21","18:00:00",""
"7704225","25.7596","0.0003","17.4114","0.0002","27.7512","0.0004","90","","90","","90","","12446.7","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(MeClamp)Ru . C6D6","[Tris(2-(3',5'-di-tert-butyl-2'-oxyphenyl)amido-4- methylphenyl)amine]ruthenium(VI)","","- C69 H78 D6 N4 O3 Ru -","- C69 H78 D6 N4 O3 Ru -","- C552 H624 D48 N32 O24 Ru8 -","8","1","","Gianino, Jacqueline; Brown, Seth N.","Highly covalent metal-ligand π bonding in chelated bis- and tris(iminoxolene) complexes of osmium and ruthenium.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7015","7027","10.1039/d0dt01287d","","","1.54178","CuKα","","0.0339","0.0297","","","0.0754","0.0784","","","","","","1.043","","","","has coordinates,has disorder","252835","2020-10-21","18:00:00",""
"7704226","12.013","0.004","17.863","0.006","9.836","0.003","90","","101.484","0.005","90","","2068.4","1.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H35 N O2 -","- C21 H35 N O2 -","- C84 H140 N4 O8 -","4","1","","Plommer, Hart; Stein, Laura; Murphy, Jennifer N.; Ikpo, Nduka; Mora-Diez, Nelaine; Kerton, Francesca M.","Copolymerization of CHO/CO<sub>2</sub> catalyzed by a series of aluminum amino-phenolate complexes and insights into structure-activity relationships.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6884","6895","10.1039/d0dt00726a","","","0.71075","MoKα","","0.0529","0.0497","","","0.1251","0.1276","","","","","","1.112","","","","has coordinates","252783","2020-10-21","18:00:00",""
"7704227","7.775","0.0002","11.1513","0.0003","21.4322","0.0005","75.708","0.002","89.494","0.002","74.48","0.002","1731.77","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C75 H111 Al2 Cl2 N4 O4 -","- C75 H111 Al2 Cl2 N4 O4 -","- C75 H111 Al2 Cl2 N4 O4 -","1","0.5","","Plommer, Hart; Stein, Laura; Murphy, Jennifer N.; Ikpo, Nduka; Mora-Diez, Nelaine; Kerton, Francesca M.","Copolymerization of CHO/CO<sub>2</sub> catalyzed by a series of aluminum amino-phenolate complexes and insights into structure-activity relationships.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6884","6895","10.1039/d0dt00726a","","x-ray","0.71073","MoKα","","0.0675","0.0598","","","0.1499","0.1563","","","","","","1.086","","","","has coordinates","252783","2020-10-21","18:00:00",""
"7704228","11.4893","0.0003","13.7084","0.0004","15.1276","0.0003","111.101","0.002","105.252","0.002","93.044","0.002","2115.43","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H68 Al Cl N2 O4 -","- C42 H68 Al Cl N2 O4 -","- C84 H136 Al2 Cl2 N4 O8 -","2","1","","Plommer, Hart; Stein, Laura; Murphy, Jennifer N.; Ikpo, Nduka; Mora-Diez, Nelaine; Kerton, Francesca M.","Copolymerization of CHO/CO<sub>2</sub> catalyzed by a series of aluminum amino-phenolate complexes and insights into structure-activity relationships.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6884","6895","10.1039/d0dt00726a","","x-ray","0.71073","MoKα","","0.0604","0.0491","","","0.1161","0.125","","","","","","1.057","","","","has coordinates","252783","2020-10-21","18:00:00",""
"7704229","13.1378","0.0004","24.9763","0.0006","14.4263","0.0004","90","","110.413","0.003","90","","4436.5","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H70 Al Cl N2 O2 -","- C48 H70 Al Cl N2 O2 -","- C192 H280 Al4 Cl4 N8 O8 -","4","1","","Plommer, Hart; Stein, Laura; Murphy, Jennifer N.; Ikpo, Nduka; Mora-Diez, Nelaine; Kerton, Francesca M.","Copolymerization of CHO/CO<sub>2</sub> catalyzed by a series of aluminum amino-phenolate complexes and insights into structure-activity relationships.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6884","6895","10.1039/d0dt00726a","","x-ray","0.71073","MoKα","","0.1157","0.0981","","","0.1769","0.1875","","","","","","1.181","","","","has coordinates","252783","2020-10-21","18:00:00",""
"7704230","13.739","0.0002","13.739","0.0002","13.739","0.0002","90","","90","","90","","2593.38","0.07","173","2","173","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C17 H36 F3 N4 O3 P3 S -","- C16.333 H35.9991 F3 N3.9999 O3 P3.001 S -","- C65.332 H143.996 F12 N15.9996 O12 P12.004 S4 -","4","0.333333","","Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar","Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6341","6354","10.1039/d0dt01163k","","","0.71073","MoKα","","0.0361","0.0339","","","0.0992","0.1021","","","","","","1.091","","","","has coordinates,has disorder","252767","2020-10-21","18:00:00",""
"7704231","9.5164","0.0005","9.9718","0.0005","15.6775","0.0009","79.744","0.003","87.738","0.003","63.228","0.003","1305.62","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H41 As N4 P2 -","- C22 H41 As N4 P2 -","- C44 H82 As2 N8 P4 -","2","1","","Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar","Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6341","6354","10.1039/d0dt01163k","","","0.71073","MoKα","","0.0538","0.0383","","","0.0848","0.1031","","","","","","1.0002","","","","has coordinates","252767","2020-10-21","18:00:00",""
"7704232","9.6134","0.0005","11.6759","0.0006","10.3557","0.0005","90","","98.442","0.002","90","","1149.78","0.1","100","","99.97","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C16 H36 As N7 P2 -","- C16 H36 As N7 P2 -","- C32 H72 As2 N14 P4 -","2","0.5","","Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar","Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6341","6354","10.1039/d0dt01163k","","","0.71073","MoKα","","0.0265","0.0252","","","0.0683","0.0689","","","","","","1.09","","","","has coordinates","252767","2020-10-21","18:00:00",""
"7704233","9.8985","0.0006","16.8686","0.001","11.0098","0.0006","90","","114.486","0.0019","90","","1673.01","0.17","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H46 Cl2 N4 P4 -","- C28 H46 Cl2 N4 P4 -","- C56 H92 Cl4 N8 P8 -","2","1","","Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar","Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6341","6354","10.1039/d0dt01163k","","x-ray","0.71073","MoKα","","0.0367","0.0299","","","0.0724","0.0762","","","","","","1.0314","","","","has coordinates","252767","2020-10-21","18:00:00",""
"7704234","16.4218","0.0012","10.8323","0.0008","18.0205","0.0014","90","","96.409","0.003","90","","3185.6","0.4","100.04","","100.04","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H54 Bi N5 P2 Si2 -","- C22 H54 Bi N5 P2 Si2 -","- C88 H216 Bi4 N20 P8 Si8 -","4","1","","Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar","Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6341","6354","10.1039/d0dt01163k","","","0.71073","MoKα","","0.034","0.0287","","","0.0747","0.0836","","","","","","1.05","","","","has coordinates","252767","2020-10-21","18:00:00",""
"7704235","16.0318","0.0006","9.609","0.0004","18.2097","0.0007","90","","110.363","0.0014","90","","2629.88","0.18","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H41 N4 P2 Sb -","- C22 H41 N4 P2 Sb -","- C88 H164 N16 P8 Sb4 -","4","1","","Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar","Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6341","6354","10.1039/d0dt01163k","","","0.71073","MoKα","","0.0231","0.0205","","","0.0496","0.0516","","","","","","1.0312","","","","has coordinates","252767","2020-10-21","18:00:00",""
"7704236","9.5405","0.0007","11.8694","0.0008","10.3274","0.0007","90","","96.573","0.002","90","","1161.79","0.14","150","","149.99","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C16 H36 I N4 P3 -","- C16 H36 I N4 P3 -","- C32 H72 I2 N8 P6 -","2","0.5","","Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar","Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6341","6354","10.1039/d0dt01163k","","x-ray","0.71073","MoKα","","0.0225","0.0192","","","0.0435","0.0452","","","","","","1.0401","","","","has coordinates,has disorder","252767","2020-10-21","18:00:00",""
"7704237","9.5274","0.0008","11.9897","0.0009","10.3478","0.0007","90","","96.533","0.003","90","","1174.36","0.15","150","","149.99","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H36 As I N4 P2 -","- C16 H36 As I N4 P2 -","- C32 H72 As2 I2 N8 P4 -","2","0.5","","Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar","Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6341","6354","10.1039/d0dt01163k","","x-ray","0.71073","MoKα","","0.0294","0.0225","","","0.0463","0.0493","","","","","","1.0219","","","","has coordinates,has disorder","252767","2020-10-21","18:00:00",""
"7704238","9.606","0.0006","18.7374","0.0012","26.7135","0.0018","90","","93.325","0.003","90","","4800.1","0.5","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 I N4 P2 Sb -","- C16 H36 I N4 P2 Sb -","- C128 H288 I8 N32 P16 Sb8 -","8","2","","Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar","Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6341","6354","10.1039/d0dt01163k","","x-ray","0.71073","MoKα","","0.0501","0.0333","","","0.0732","0.0806","","","","","","1.0235","","","","has coordinates","252767","2020-10-21","18:00:00",""
"7704239","9.7212","0.0003","18.601","0.0005","15.2849","0.0004","90","","100.53","0.0012","90","","2717.33","0.13","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C17 H36 F3 N4 O3 P2 S Sb -","- C17 H36 F3 N4 O3 P2 S Sb -","- C68 H144 F12 N16 O12 P8 S4 Sb4 -","4","1","","Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar","Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6341","6354","10.1039/d0dt01163k","","","0.71073","MoKα","","0.0518","0.0429","","","0.0807","0.0859","","","","","","1.0568","","","","has coordinates","252767","2020-10-21","18:00:00",""
"7704240","12.3466","0.0007","16.0952","0.0009","26.4133","0.0015","90","","90","","90","","5248.9","0.5","100","","100","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H83 N5 O2 Si2 -","- C53 H83 N5 O2 Si2 -","- C212 H332 N20 O8 Si8 -","4","1","","Reiter, Dominik; Frisch, Philipp; Wendel, Daniel; Hörmann, Fabian M; Inoue, Shigeyoshi","Oxidation reactions of a versatile, two-coordinate, acyclic iminosiloxysilylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7060","7068","10.1039/d0dt01522a","","x-ray","0.71073","MoKα","","0.0493","0.0366","","","0.0814","0.0896","","","","","","1.066","","","","has coordinates","252833","2020-10-21","18:00:00",""
"7704241","21.649","0.0015","21.649","0.0015","24.0739","0.0018","90","","90","","120","","9771.3","1.2","100","","100","","","","","","","","see text","7","P 65","P 65","170","","","","- C64 H71 B F15 N3 O Si2 -","- C64 H71 B F15 N3 O Si2 -","- C384 H426 B6 F90 N18 O6 Si12 -","6","1","","Reiter, Dominik; Frisch, Philipp; Wendel, Daniel; Hörmann, Fabian M; Inoue, Shigeyoshi","Oxidation reactions of a versatile, two-coordinate, acyclic iminosiloxysilylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7060","7068","10.1039/d0dt01522a","","x-ray","0.71073","MoKα","","0.0393","0.0387","","","0.0983","0.0987","","","","","","1.096","","","","has coordinates,has disorder","252833","2020-10-21","18:00:00",""
"7704242","13.2094","0.0008","18.7067","0.0012","20.357","0.0013","90","","91.315","0.002","90","","5029","0.5","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H84 N4 O Si3 -","- C48 H84 N4 O Si3 -","- C192 H336 N16 O4 Si12 -","4","1","","Reiter, Dominik; Frisch, Philipp; Wendel, Daniel; Hörmann, Fabian M; Inoue, Shigeyoshi","Oxidation reactions of a versatile, two-coordinate, acyclic iminosiloxysilylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7060","7068","10.1039/d0dt01522a","","x-ray","0.71073","MoKα","","0.073","0.0662","","","0.1423","0.1462","","","","","","1.125","","","","has coordinates,has disorder","252833","2020-10-21","18:00:00",""
"7704243","26.09","0.02","13.509","0.011","27.21","0.03","90","","107.52","0.04","90","","9145","15","100","","100","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H126 N6 O6 Si4 -","- C78 H126 N6 O6 Si4 -","- C312 H504 N24 O24 Si16 -","4","0.5","","Reiter, Dominik; Frisch, Philipp; Wendel, Daniel; Hörmann, Fabian M; Inoue, Shigeyoshi","Oxidation reactions of a versatile, two-coordinate, acyclic iminosiloxysilylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7060","7068","10.1039/d0dt01522a","","x-ray","0.71073","MoKα","","0.0606","0.0484","","","0.112","0.1177","","","","","","1.054","","","","has coordinates","252833","2020-10-21","18:00:00",""
"7704244","16.804","0.002","14.1855","0.0018","34.372","0.004","90","","90","","90","","8193.4","1.7","100","","100","","","","","","","","see text","5","P c a 21","P 2c -2ac","29","","","","- C40 H63 N3 O4 Si2 -","- C40 H63 N3 O4 Si2 -","- C320 H504 N24 O32 Si16 -","8","2","","Reiter, Dominik; Frisch, Philipp; Wendel, Daniel; Hörmann, Fabian M; Inoue, Shigeyoshi","Oxidation reactions of a versatile, two-coordinate, acyclic iminosiloxysilylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7060","7068","10.1039/d0dt01522a","","x-ray","0.71073","MoKα","","0.0301","0.029","","","0.0722","0.0729","","","","","","1.084","","","","has coordinates","252833","2020-10-21","18:00:00",""
"7704245","18.2755","0.0011","10.7417","0.0007","22.0169","0.0015","90","","90.804","0.002","90","","4321.7","0.5","123","","123","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 N3 O P4 Si2 -","- C39 H63 N3 O P4 Si2 -","- C156 H252 N12 O4 P16 Si8 -","4","1","","Reiter, Dominik; Frisch, Philipp; Wendel, Daniel; Hörmann, Fabian M; Inoue, Shigeyoshi","Oxidation reactions of a versatile, two-coordinate, acyclic iminosiloxysilylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7060","7068","10.1039/d0dt01522a","","x-ray","0.71073","MoKα","","0.0427","0.0348","","","0.0866","0.0917","","","","","","1.04","","","","has coordinates,has disorder","252833","2020-10-21","18:00:00",""
"7704246","13.5215","0.0006","17.5358","0.0008","22.5862","0.001","90","","93.012","0.002","90","","5348","0.4","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H84 N4 O3 Si3 -","- C49 H84 N4 O3 Si3 -","- C196 H336 N16 O12 Si12 -","4","1","","Reiter, Dominik; Frisch, Philipp; Wendel, Daniel; Hörmann, Fabian M; Inoue, Shigeyoshi","Oxidation reactions of a versatile, two-coordinate, acyclic iminosiloxysilylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7060","7068","10.1039/d0dt01522a","","x-ray","0.71073","MoKα","","0.0523","0.0452","","","0.1149","0.1208","","","","","","1.055","","","","has coordinates,has disorder","252833","2020-10-21","18:00:00",""
"7704247","11.3834","0.0005","23.2108","0.001","15.7395","0.0007","90","","111.121","0.005","90","","3879.3","0.3","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C36 H47 B2 Dy N12 O2 -","- C29 H31 B2 Dy N12 O2 -","- C116 H124 B8 Dy4 N48 O8 -","4","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","x-ray","1.54184","CuKα","","0.0375","0.0346","","","0.0861","0.0884","","","","","","1.038","","","","has coordinates","253924","2020-10-21","18:00:00",""
"7704248","18.094","0.003","7.9885","0.0012","22.585","0.004","90","","100.683","0.003","90","","3207.9","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H60 B4 Cl4 Eu2 N24 O4 -","- C54 H60 B4 Cl4 Eu2 N24 O4 -","- C108 H120 B8 Cl8 Eu4 N48 O8 -","2","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0928","0.0443","","","0.0854","0.1008","","","","","","1.005","","","","has coordinates","253924","2020-10-21","18:00:00",""
"7704249","15.9362","0.0005","22.9093","0.0007","11.483","0.0004","90","","112.196","0.001","90","","3881.6","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H45 B2 Eu N12 O2 -","- C35 H45 B2 Eu N12 O2 -","- C140 H180 B8 Eu4 N48 O8 -","4","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0531","0.0461","","","0.116","0.1208","","","","","","1.154","","","","has coordinates","253924","2020-10-21","18:00:00",""
"7704250","7.802","0.0002","29.0926","0.0008","30.3533","0.0008","90","","95.2817","0.0011","90","","6860.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C125 H136 B8 Dy4 N48 O8 -","- C125 H136 B8 Dy4 N48 O8 -","- C250 H272 B16 Dy8 N96 O16 -","2","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","1.54178","CuKα","","0.0433","0.0379","","","0.087","0.0894","","","","","","1.05","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704251","33.2419","0.0015","16.0002","0.0007","14.863","0.0007","90","","90.9174","0.0018","90","","7904.3","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C73 H80 B4 Dy2 N24 O4 -","- C73 H80 B4 Dy2 N24 O4 -","- C292 H320 B16 Dy8 N96 O16 -","4","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0596","0.0338","","","0.0579","0.0639","","","","","","1.008","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704252","15.7647","0.0008","23.1997","0.001","11.4127","0.0006","90","","111.495","0.002","90","","3883.7","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H47 B2 Gd N12 O2 -","- C36 H47 B2 Gd N12 O2 -","- C144 H188 B8 Gd4 N48 O8 -","4","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0267","0.0222","","","0.049","0.0504","","","","","","1.1","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704253","33.3788","0.0008","16.0649","0.0005","14.8904","0.0004","90","","90.8372","0.0011","90","","7983.8","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C73 H80 B4 N24 O4 Tb2 -","- C73 H80 B4 N24 O4 Tb2 -","- C292 H320 B16 N96 O16 Tb8 -","4","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0686","0.0383","","","0.0748","0.0849","","","","","","1.015","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704254","15.7398","0.0009","23.0751","0.001","11.3694","0.0015","90","","111.416","0.003","90","","3844.2","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H31 B2 N12 O2 Tb -","- C29 H31 B2 N12 O2 Tb -","- C116 H124 B8 N48 O8 Tb4 -","4","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0447","0.04","","","0.105","0.1073","","","","","","1.163","","","","has coordinates","253924","2020-10-21","18:00:00",""
"7704255","15.4693","0.0012","15.8266","0.0012","18.8399","0.0014","68.361","0.001","69.361","0.001","69.376","0.001","3879.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C67.1 H96.05 B4 N24 O4 Tb2 -","- C67.096 H96.04 B4 N24 O4 Tb2 -","- C134.192 H192.08 B8 N48 O8 Tb4 -","2","1","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0387","0.0286","","","0.0676","0.0736","","","","","","1.021","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704256","13.3869","0.0004","15.1537","0.0005","17.5408","0.0006","108.845","0.0013","107.205","0.0012","93.7594","0.0014","3165.41","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H60 B4 Dy2 N24 O4 -","- C53 H60 B4 Dy2 N24 O4 -","- C106 H120 B8 Dy4 N48 O8 -","2","1","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","1.54178","CuKα","","0.0741","0.0575","","","0.1255","0.1333","","","","","","1.038","","","","has coordinates","253924","2020-10-21","18:00:00",""
"7704257","15.3596","0.001","15.8399","0.001","19.0548","0.0008","68.093","0.0013","69.8068","0.0018","69.0277","0.0013","3894.5","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C67.94 H87.79 B4 Eu2 N24 O4 -","- C67.943 H87.792 B4 Eu2 N24 O4 -","- C135.886 H175.584 B8 Eu4 N48 O8 -","2","1","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0413","0.0303","","","0.0678","0.0739","","","","","","1.128","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704258","15.3014","0.0008","16.0243","0.0008","19.0473","0.0009","66.903","0.001","69.911","0.001","69.338","0.001","3903.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C141 H160 B8 Gd4 N48 O8 -","- C141 H160 B8 Gd4 N48 O8 -","- C141 H160 B8 Gd4 N48 O8 -","1","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0379","0.0312","","","0.07","0.0757","","","","","","1.208","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704259","23.4251","0.0011","23.4251","0.0011","29.729","0.0018","90","","90","","120","","14127.8","1.3","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C82 H89 B6 Eu3 N36 O6 -","- C82.0014 H89.0016 B6 Eu3 N36 O6 -","- C492.008 H534.01 B36 Eu18 N216 O36 -","6","0.166667","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0529","0.0341","","","0.0613","0.0682","","","","","","1.072","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704260","15.2024","0.0007","20.4812","0.0009","21.8182","0.001","108.623","0.0018","108.881","0.002","95.255","0.002","5945.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C213 H242 B12 Dy6 N72 O12 -","- C213 H242 B12 Dy6 N72 O12 -","- C213 H242 B12 Dy6 N72 O12 -","1","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","1.54178","CuKα","","0.0562","0.0442","","","0.1075","0.1152","","","","","","1.032","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704261","19.81","0.003","19.81","0.003","13.4702","0.0019","90","","90","","120","","4578","1.2","100","2","100","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C25.134 H27.716 B2 Cl0.268 N12 O2.224 Tb -","- C25.134 H27.716 B2 Cl0.268 N12 O2.224 Tb -","- C150.804 H166.296 B12 Cl1.608 N72 O13.344 Tb6 -","6","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0644","0.037","","","0.0708","0.0787","","","","","","1.071","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704262","33.4373","0.0013","16.0652","0.0006","14.88","0.0006","90","","90.6487","0.0014","90","","7992.7","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C73 H80 B4 Gd2 N24 O4 -","- C73 H80 B4 Gd2 N24 O4 -","- C292 H320 B16 Gd8 N96 O16 -","4","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0197","0.0175","","","0.0412","0.0424","","","","","","1.11","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704263","7.8229","0.0005","29.326","0.002","30.5001","0.0017","90","","95.385","0.003","90","","6966.3","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C125 H136 B8 Eu4 N48 O8 -","- C125 H136 B8 Eu4 N48 O8 -","- C250 H272 B16 Eu8 N96 O16 -","2","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0806","0.0451","","","0.0928","0.1079","","","","","","1.021","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704264","15.4419","0.0006","15.4442","0.0006","16.9108","0.0007","75.8661","0.0014","79.6313","0.0014","74.4742","0.0012","3739.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H70 B4 Gd2 N24 O4 -","- C59 H70 B4 Gd2 N24 O4 -","- C118 H140 B8 Gd4 N48 O8 -","2","1","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0673","0.0418","","","0.0948","0.107","","","","","","1.016","","","","has coordinates","253924","2020-10-21","18:00:00",""
"7704265","15.3419","0.0006","15.4724","0.0006","17.5268","0.0008","110.858","0.002","103.635","0.002","105.523","0.002","3483.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C125 H136 B8 N48 O8 Tb4 -","- C125 H136 B8 N48 O8 Tb4 -","- C125 H136 B8 N48 O8 Tb4 -","1","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0604","0.0425","","","0.1044","0.1199","","","","","","1.09","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704266","23.392","0.0011","23.392","0.0011","29.8357","0.0014","90","","90","","120","","14138.4","1.2","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C82 H89 B6 Gd3 N36 O6 -","- C82.0014 H89.0016 B6 Gd3 N36 O6 -","- C492.008 H534.01 B36 Gd18 N216 O36 -","6","0.166667","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0399","0.0333","","","0.0666","0.0713","","","","","","1.214","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00",""
"7704267","9.9113","0.0006","11.7477","0.0007","20.9842","0.0012","102.037","0.002","100.172","0.002","93.337","0.002","2340.5","0.2","302","2","302.11","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Mo5 N6 O28 P2 -","- C30 H40 Mo5 N6 O28 P2 -","- C60 H80 Mo10 N12 O56 P4 -","2","1","","Joshi, Arti; Gupta, Ruby; Singh, Bharti; Sharma, Deepika; Singh, Monika","Effective inhibitory activity against MCF-7, A549 and HepG2 cancer cells by a phosphomolybdate based hybrid solid.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7069","7077","10.1039/d0dt01042a","","","0.71073","MoKα","","0.0395","0.0323","","","0.0801","0.0856","","","","","","1.075","","","","has coordinates,has disorder","252831","2020-10-21","18:00:00",""
"7704268","13.7426","0.0002","17.5278","0.0003","22.4882","0.0003","90","","105.024","0.001","90","","5231.74","0.14","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H82 Al2 N4 -","- C58 H82 Al2 N4 -","- C232 H328 Al8 N16 -","4","1","","Kysliak, Oleksandr; Görls, Helmar; Kretschmer, Robert","Salt metathesis as an alternative approach to access aluminium(i) and gallium(i) β-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6377","6383","10.1039/d0dt01342k","","","0.71073","MoKα","","0.0645","0.0507","","","0.1085","0.1166","","","","","","1.048","","","","has coordinates","252770","2020-10-21","18:00:00",""
"7704269","16.6563","0.0012","14.3947","0.0011","17.3244","0.0015","90","","139.294","0.002","90","","2709","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 Br2 Ni P -","- C30 H35 Br2 Ni P -","- C120 H140 Br8 Ni4 P4 -","4","1","","Shvydkiy, Nikita V.; Dlin, Egor A.; Ivanov, Klimentiy V.; Buyanovskaya, Anastasiya G.; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Synthesis and reactivity of cyclobutadiene nickel bromide.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6801","6806","10.1039/d0dt01510e","","","0.71073","MoKα","","0.0567","0.0362","","","0.0727","0.08","","","","","","1.022","","","","has coordinates","252782","2020-10-21","18:00:00",""
"7704270","7.9405","0.0004","9.2273","0.0005","13.9856","0.0007","83.818","0.001","80.472","0.001","70.034","0.001","948.39","0.08","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H31 B9 Ni -","- C14 H31 B9 Ni -","- C28 H62 B18 Ni2 -","2","1","","Shvydkiy, Nikita V.; Dlin, Egor A.; Ivanov, Klimentiy V.; Buyanovskaya, Anastasiya G.; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Synthesis and reactivity of cyclobutadiene nickel bromide.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6801","6806","10.1039/d0dt01510e","","","0.71073","MoKα","","0.041","0.0336","","","0.0752","0.079","","","","","","1.036","","","","has coordinates","252782","2020-10-21","18:00:00",""
"7704271","8.7709","0.0005","16.2919","0.0009","17.2763","0.0009","90","","96.782","0.004","90","","2451.4","0.2","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Br F6 N2 Ni P -","- C24 H28 Br F6 N2 Ni P -","- C96 H112 Br4 F24 N8 Ni4 P4 -","4","1","","Shvydkiy, Nikita V.; Dlin, Egor A.; Ivanov, Klimentiy V.; Buyanovskaya, Anastasiya G.; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Synthesis and reactivity of cyclobutadiene nickel bromide.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6801","6806","10.1039/d0dt01510e","","","1.54178","CuKα","","0.0481","0.0345","","","0.0826","0.09","","","","","","1.022","","","","has coordinates","252782","2020-10-21","18:00:00",""
"7704272","19.2163","0.0003","12.0734","0.0002","12.3104","0.0002","90","","90","","90","","2856.09","0.08","120","","120","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C25 H34 Br F6 N2 Ni O P -","- C25 H34 Br F6 N2 Ni O P -","- C100 H136 Br4 F24 N8 Ni4 O4 P4 -","4","0.5","","Shvydkiy, Nikita V.; Dlin, Egor A.; Ivanov, Klimentiy V.; Buyanovskaya, Anastasiya G.; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Synthesis and reactivity of cyclobutadiene nickel bromide.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6801","6806","10.1039/d0dt01510e","","","1.54178","CuKα","","0.0395","0.0346","","","0.0885","0.0919","","","","","","1.058","","","","has coordinates","252782","2020-10-21","18:00:00",""
"7704273","14.526","0.0009","16.9081","0.0011","17.1531","0.0011","90","","143.607","0.001","90","","2499.6","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 Br4 Ni2 P2 -","- C50 H64 Br4 Ni2 P2 -","- C100 H128 Br8 Ni4 P4 -","2","0.5","","Shvydkiy, Nikita V.; Dlin, Egor A.; Ivanov, Klimentiy V.; Buyanovskaya, Anastasiya G.; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Synthesis and reactivity of cyclobutadiene nickel bromide.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6801","6806","10.1039/d0dt01510e","","","0.71073","MoKα","","0.0669","0.0544","","","0.1614","0.1721","","","","","","1.057","","","","has coordinates","252782","2020-10-21","18:00:00",""
"7704274","27.2275","0.0006","16.8312","0.0005","14.5288","0.0003","90","","101.28","0.002","90","","6529.5","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Co N6 O16 -","- C30 H28 Co N6 O16 -","- C240 H224 Co8 N48 O128 -","8","1","","Rajnák, Cyril; Titiš, Ján; Moncol', Ján; Boča, Roman","Effect of the distant substituent on the slow magnetic relaxation of the mononuclear Co(ii) complex with pincer-type ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4206","4210","10.1039/d0dt00096e","","","1.54186","CuKα","","0.062","0.0424","","","0.0862","0.0942","","","","","","1.031","","","","has coordinates,has disorder","251493","2020-10-21","18:00:00",""
"7704275","27.2147","0.0009","16.8283","0.0007","14.5231","0.0006","90","","101.134","0.003","90","","6526.1","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Co0.8 N6 O16 Zn0.2 -","- C30 H28 Co0.804 N6 O16 Zn0.196 -","- C240 H224 Co6.432 N48 O128 Zn1.568 -","8","1","","Rajnák, Cyril; Titiš, Ján; Moncol', Ján; Boča, Roman","Effect of the distant substituent on the slow magnetic relaxation of the mononuclear Co(ii) complex with pincer-type ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4206","4210","10.1039/d0dt00096e","","","1.54186","CuKα","","0.089","0.0591","","","0.1394","0.1594","","","","","","1.055","","","","has coordinates,has disorder","251493","2020-10-21","18:00:00",""
"7704276","27.3034","0.0009","16.8405","0.0008","14.4655","0.0006","90","","101.163","0.003","90","","6525.4","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N6 O16 Zn -","- C30 H28 N6 O16 Zn -","- C240 H224 N48 O128 Zn8 -","8","1","","Rajnák, Cyril; Titiš, Ján; Moncol', Ján; Boča, Roman","Effect of the distant substituent on the slow magnetic relaxation of the mononuclear Co(ii) complex with pincer-type ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4206","4210","10.1039/d0dt00096e","","","1.54186","CuKα","","0.0916","0.07","","","0.1581","0.1687","","","","","","1.068","","","","has coordinates,has disorder","251493","2020-10-21","18:00:00",""
"7704277","10.8277","0.0009","13.0401","0.0009","15.7196","0.0013","96.621","0.002","101.707","0.003","102.68","0.001","2090.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 N4 O4 Zn -","- C42 H50.112 N4 O4 Zn -","- C84 H100.224 N8 O8 Zn2 -","2","1","","Song, Jian-Biao; Wang, Pengfei; Yan, Li; Hao, Liang; Khan, Maroof Ahmad; Liu, Gui-Lei; Li, Hui","Crystal structures, red-shifted luminescence and iodide-anion recognition properties of four novel D-A type Zn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4358","4368","10.1039/c9dt04840e","","","0.71073","MoKα","","0.1201","0.0567","","","0.115","0.1391","","","","","","1.041","","","","has coordinates,has disorder","251494","2020-10-21","18:00:00",""
"7704278","31.102","0.006","13.649","0.003","33.418","0.007","90","","90","","90","","14186","5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C75 H94 N6 O5 Zn2 -","- C75 H94 N6 O5 Zn2 -","- C600 H752 N48 O40 Zn16 -","8","1","","Song, Jian-Biao; Wang, Pengfei; Yan, Li; Hao, Liang; Khan, Maroof Ahmad; Liu, Gui-Lei; Li, Hui","Crystal structures, red-shifted luminescence and iodide-anion recognition properties of four novel D-A type Zn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4358","4368","10.1039/c9dt04840e","","","0.71073","MoKα","","0.1543","0.0653","","","0.1644","0.2058","","","","","","1.025","","","","has coordinates","251494","2020-10-21","18:00:00",""
"7704279","7.3914","0.001","11.1728","0.0015","18.077","0.002","88.21","0.003","79.092","0.004","87.909","0.005","1464.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H37 N3 O4 Zn -","- C31 H37 N3 O4 Zn -","- C62 H74 N6 O8 Zn2 -","2","1","","Song, Jian-Biao; Wang, Pengfei; Yan, Li; Hao, Liang; Khan, Maroof Ahmad; Liu, Gui-Lei; Li, Hui","Crystal structures, red-shifted luminescence and iodide-anion recognition properties of four novel D-A type Zn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4358","4368","10.1039/c9dt04840e","","","0.71073","MoKα","","0.0908","0.0667","","","0.1938","0.2074","","","","","","1.044","","","","has coordinates","251494","2020-10-21","18:00:00",""
"7704280","7.3811","0.0013","13.9023","0.0018","16.664","0.002","99.06","0.03","102.13","0.02","104.723","0.018","1576.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N4 O4 Zn -","- C32 H36 N4 O4 Zn -","- C64 H72 N8 O8 Zn2 -","2","1","","Song, Jian-Biao; Wang, Pengfei; Yan, Li; Hao, Liang; Khan, Maroof Ahmad; Liu, Gui-Lei; Li, Hui","Crystal structures, red-shifted luminescence and iodide-anion recognition properties of four novel D-A type Zn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4358","4368","10.1039/c9dt04840e","","","0.71073","MoKα","","0.2595","0.1108","","","0.1782","0.2209","","","","","","1.101","","","","has coordinates","251494","2020-10-21","18:00:00",""
"7704281","14.9213","0.0014","28.264","0.002","29.056","0.003","90","","102.555","0.005","90","","11960.9","1.9","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C108 H107 F9 N12 O13 P6 Pd3 S3 -","- C108 H107 F9 N12 O13 P6 Pd3 S3 -","- C432 H428 F36 N48 O52 P24 Pd12 S12 -","4","1","","Eskandari, Arvin; Kundu, Arunangshu; Johnson, Alice; Karmakar, Sanjib; Ghosh, Sushobhan; Suntharalingam, Kogularamanan","A tri-metallic palladium complex with breast cancer stem cell potency.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4211","4215","10.1039/d0dt00006j","","","0.71073","MoKα","","0.1329","0.0822","","","0.1983","0.2284","","","","","","1.061","","","","has coordinates,has disorder","251495","2020-10-21","18:00:00",""
"7704282","10.6979","0.0005","12.2441","0.0006","18.0543","0.0008","90","","95.091","0.004","90","","2355.53","0.19","","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Dy N3 O8 -","- C24 H16 Dy N3 O8 -","- C96 H64 Dy4 N12 O32 -","4","1","","Feng, Xun; Shang, Yapei; Zhang, Heng; Liu, Xinfang; Wang, Xinyi; Chen, Nan; Wang, Liya; Li, Zhongjun","Multi-functional lanthanide-CPs based on tricarboxylphenyl terpyridyl ligand as ratiometric luminescent thermometer and highly sensitive ion sensor with turn on/off effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4741","4750","10.1039/d0dt00310g","","x-ray","0.71073","MoKα","","0.0713","0.0507","","","0.1277","0.138","","","","","","1.003","","","","has coordinates,has disorder","251496","2020-10-21","18:00:00",""
"7704283","10.7541","0.0003","12.3686","0.0004","18.2242","0.0004","90","","95.145","0.002","90","","2414.29","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N3 O8 Sm -","- C24 H16 N3 O8 Sm -","- C96 H64 N12 O32 Sm4 -","4","1","","Feng, Xun; Shang, Yapei; Zhang, Heng; Liu, Xinfang; Wang, Xinyi; Chen, Nan; Wang, Liya; Li, Zhongjun","Multi-functional lanthanide-CPs based on tricarboxylphenyl terpyridyl ligand as ratiometric luminescent thermometer and highly sensitive ion sensor with turn on/off effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4741","4750","10.1039/d0dt00310g","","x-ray","0.71073","MoKα","","0.0509","0.0385","","","0.0743","0.0804","","","","","","1.032","","","","has coordinates","251496","2020-10-21","18:00:00",""
"7704284","10.7504","0.0004","12.3081","0.0007","18.1494","0.0007","90","","95.071","0.004","90","","2392.07","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Gd N3 O8 -","- C24 H17 Gd N3 O8 -","- C96 H68 Gd4 N12 O32 -","4","1","","Feng, Xun; Shang, Yapei; Zhang, Heng; Liu, Xinfang; Wang, Xinyi; Chen, Nan; Wang, Liya; Li, Zhongjun","Multi-functional lanthanide-CPs based on tricarboxylphenyl terpyridyl ligand as ratiometric luminescent thermometer and highly sensitive ion sensor with turn on/off effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4741","4750","10.1039/d0dt00310g","","x-ray","0.71073","MoKα","","0.0731","0.0508","","","0.0887","0.0994","","","","","","1.03","","","","has coordinates","251496","2020-10-21","18:00:00",""
"7704285","10.6848","0.0005","12.2007","0.0008","18.0868","0.0009","90","","95.351","0.004","90","","2347.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N3 O8 Tb -","- C24 H16 N3 O8 Tb -","- C96 H64 N12 O32 Tb4 -","4","1","","Feng, Xun; Shang, Yapei; Zhang, Heng; Liu, Xinfang; Wang, Xinyi; Chen, Nan; Wang, Liya; Li, Zhongjun","Multi-functional lanthanide-CPs based on tricarboxylphenyl terpyridyl ligand as ratiometric luminescent thermometer and highly sensitive ion sensor with turn on/off effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4741","4750","10.1039/d0dt00310g","","x-ray","0.71073","MoKα","","0.0893","0.0568","","","0.0886","0.0974","","","","","","1.018","","","","has coordinates","251496","2020-10-21","18:00:00",""
"7704286","10.7464","0.0004","12.2838","0.0005","18.176","0.0006","90","","95.143","0.003","90","","2389.69","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Eu N3 O8 -","- C24 H16 Eu N3 O8 -","- C96 H64 Eu4 N12 O32 -","4","1","","Feng, Xun; Shang, Yapei; Zhang, Heng; Liu, Xinfang; Wang, Xinyi; Chen, Nan; Wang, Liya; Li, Zhongjun","Multi-functional lanthanide-CPs based on tricarboxylphenyl terpyridyl ligand as ratiometric luminescent thermometer and highly sensitive ion sensor with turn on/off effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4741","4750","10.1039/d0dt00310g","","x-ray","0.71073","MoKα","","0.0495","0.0377","","","0.0708","0.0752","","","","","","1.042","","","","has coordinates","251496","2020-10-21","18:00:00",""
"7704287","12.563","0.005","18.556","0.008","23.167","0.01","90","","94.53","0.006","90","","5384","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 Cl3 Co2 N10 O17 -","- C46 H46 Cl3 Co2 N10 O17 -","- C184 H184 Cl12 Co8 N40 O68 -","4","1","","Biswas, Sachidulal; Bose, Suranjana; Debgupta, Joyashish; Das, Purak; Biswas, Achintesh N.","Redox-active ligand assisted electrocatalytic water oxidation by a mononuclear cobalt complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7155","7165","10.1039/d0dt00838a","","","0.71073","MoKα","","0.147","0.0852","","","0.2221","0.2615","","","","","","1.008","","","","has coordinates","252836","2020-10-21","18:00:00",""
"7704288","8.7167","0.0006","13.2069","0.0008","13.7214","0.0012","112.93","0.007","92.528","0.007","108.905","0.006","1349.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Cl2 Co N5 O4 -","- C23 H20 Cl2 Co N5 O -","- C46 H40 Cl4 Co2 N10 O2 -","2","1","","Biswas, Sachidulal; Bose, Suranjana; Debgupta, Joyashish; Das, Purak; Biswas, Achintesh N.","Redox-active ligand assisted electrocatalytic water oxidation by a mononuclear cobalt complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7155","7165","10.1039/d0dt00838a","","","0.71073","MoKα","","0.1057","0.0899","","","0.2221","0.2417","","","","","","1.026","","","","has coordinates","252836","2020-10-21","18:00:00",""
"7704289","9.9875","0.0005","11.0201","0.0004","19.3941","0.0007","90","","90","","90","","2134.58","0.15","123.01","0.12","123.01","0.12","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diphenyl bismuth mono-diphenylphosphinate","","- C24 H20 Bi O2 P -","- C24 H20 Bi O2 P -","- C96 H80 Bi4 O8 P4 -","4","1","","Herdman, Megan E.; Werrett, Melissa V.; Duffin, Rebekah N.; Stephens, Liam J.; Brammananth, Rajini; Coppel, Ross L.; Batchelor, Warren; Andrews, Philip C.","Impact of structural changes in heteroleptic bismuth phosphinates on their antibacterial activity in Bi-nanocellulose composites.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7341","7354","10.1039/d0dt01226b","","x-ray","1.54184","CuKα","","0.03","0.0291","","","0.0724","0.0735","","","","","","1.033","","","","has coordinates","253877","2020-10-21","18:00:00",""
"7704290","18.5068","0.0011","8.9144","0.0006","21.9738","0.0018","90","","112.186","0.004","90","","3356.8","0.4","123","1","123","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","diphenyl bismuth mono-phenylphosphinate","","- C18 H16 Bi O2 P -","- C18 H16 Bi O2 P -","- C144 H128 Bi8 O16 P8 -","8","1","","Herdman, Megan E.; Werrett, Melissa V.; Duffin, Rebekah N.; Stephens, Liam J.; Brammananth, Rajini; Coppel, Ross L.; Batchelor, Warren; Andrews, Philip C.","Impact of structural changes in heteroleptic bismuth phosphinates on their antibacterial activity in Bi-nanocellulose composites.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7341","7354","10.1039/d0dt01226b","","","0.71073","MoKα","","0.0412","0.028","","","0.0556","0.0599","","","","","","1.003","","","","has coordinates","253877","2020-10-21","18:00:00",""
"7704291","12.018","0.0003","10.7673","0.0003","17.6146","0.0004","90","","94.874","0.002","90","","2271.11","0.1","123","0.1","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diphenyl bismuth mono-bis-p-methoxyphenylphosphinate","","- C26 H24 Bi O4 P -","- C26 H24 Bi O4 P -","- C104 H96 Bi4 O16 P4 -","4","1","","Herdman, Megan E.; Werrett, Melissa V.; Duffin, Rebekah N.; Stephens, Liam J.; Brammananth, Rajini; Coppel, Ross L.; Batchelor, Warren; Andrews, Philip C.","Impact of structural changes in heteroleptic bismuth phosphinates on their antibacterial activity in Bi-nanocellulose composites.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7341","7354","10.1039/d0dt01226b","","x-ray","1.54178","CuKα","","0.035","0.0317","","","0.0774","0.0808","","","","","","1.071","","","","has coordinates","253877","2020-10-21","18:00:00",""
"7704292","9.0005","0.0002","16.2512","0.0003","10.029","0.0002","90","","90","","90","","1466.93","0.05","123","0.13","123","0.13","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","diphenyl bismuth mono-dimethylphosphinate","","- C14 H16 Bi O2 P -","- C14 H16 Bi O2 P -","- C56 H64 Bi4 O8 P4 -","4","1","","Herdman, Megan E.; Werrett, Melissa V.; Duffin, Rebekah N.; Stephens, Liam J.; Brammananth, Rajini; Coppel, Ross L.; Batchelor, Warren; Andrews, Philip C.","Impact of structural changes in heteroleptic bismuth phosphinates on their antibacterial activity in Bi-nanocellulose composites.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7341","7354","10.1039/d0dt01226b","","x-ray","1.54184","CuKα","","0.0208","0.0192","","","0.0454","0.0463","","","","","","1.044","","","","has coordinates","253877","2020-10-21","18:00:00",""
"7704293","10.0392","0.0002","11.7966","0.0002","21.7852","0.0003","105.507","0.001","94.707","0.001","105.747","0.002","2359.28","0.08","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C53 H47 Cl2 F4 Fe N3 -","- C53 H47 Cl2 F4 Fe N3 -","- C106 H94 Cl4 F8 Fe2 N6 -","2","1","","Zhang, Qiuyue; Zhang, Randi; Han, Mingyang; Yang, Wenhong; Liang, Tongling; Sun, Wen-Hua","4,4'-Difluorobenzhydryl-modified bis(imino)-pyridyliron(ii) chlorides as thermally stable precatalysts for strictly linear polyethylenes with narrow dispersities.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7384","7396","10.1039/d0dt01344g","","","0.71073","MoKα","","0.0744","0.0522","","","0.1204","0.134","","","","","","1.043","","","","has coordinates","253888","2020-10-21","18:00:00",""
"7704294","15.8334","0.001","16.755","0.0007","28.0601","0.0012","90","","100.806","0.005","90","","7312","0.6","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81 H67 Cl2 F8 Fe N3 -","- C81 H67 Cl2 F8 Fe N3 -","- C324 H268 Cl8 F32 Fe4 N12 -","4","1","","Zhang, Qiuyue; Zhang, Randi; Han, Mingyang; Yang, Wenhong; Liang, Tongling; Sun, Wen-Hua","4,4'-Difluorobenzhydryl-modified bis(imino)-pyridyliron(ii) chlorides as thermally stable precatalysts for strictly linear polyethylenes with narrow dispersities.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7384","7396","10.1039/d0dt01344g","","","0.71073","MoKα","","0.2665","0.0982","","","0.1744","0.2417","","","","","","0.942","","","","has coordinates","253888","2020-10-21","18:00:00",""
"7704295","12.2707","0.0005","36.6662","0.0014","12.3316","0.0005","90","","92.264","0.001","90","","5543.9","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H47 B F24 N2 O P Rh -","- C52 H47 B F24 N2 O P Rh -","- C208 H188 B4 F96 N8 O4 P4 Rh4 -","4","1","","Gallego, Cecilia Mariel; Gaviglio, Carina; Ben-David, Yehoshoa; Milstein, David; Doctorovich, Fabio; Pellegrino, Juan","Synthesis, structure and reactivity of NO<sup>+</sup>, NO˙ and NO<sup>-</sup> pincer PCN-Rh complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7093","7108","10.1039/d0dt00962h","","","0.71073","MoKα","","0.0593","0.053","","","0.116","0.1196","","","","","","1.163","","","","has coordinates,has disorder","252839","2020-10-21","18:00:00",""
"7704296","12.2786","0.0005","13.4049","0.0005","13.7401","0.0005","90","","105.066","0.004","90","","2183.79","0.15","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 Cl N P Rh -","- C20 H35 Cl N P Rh -","- C80 H140 Cl4 N4 P4 Rh4 -","4","1","","Gallego, Cecilia Mariel; Gaviglio, Carina; Ben-David, Yehoshoa; Milstein, David; Doctorovich, Fabio; Pellegrino, Juan","Synthesis, structure and reactivity of NO<sup>+</sup>, NO˙ and NO<sup>-</sup> pincer PCN-Rh complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7093","7108","10.1039/d0dt00962h","","x-ray","0.71073","MoKα","","0.0984","0.0548","","","0.1143","0.1475","","","","","","1.061","","","","has coordinates","252839","2020-10-21","18:00:00",""
"7704297","10.9238","0.0005","12.2412","0.0005","19.478","0.0008","90","","99.966","0.001","90","","2565.3","0.19","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 F3 N2 O4 P Rh S -","- C21 H35 F3 N2 O4 P Rh S -","- C84 H140 F12 N8 O16 P4 Rh4 S4 -","4","1","","Gallego, Cecilia Mariel; Gaviglio, Carina; Ben-David, Yehoshoa; Milstein, David; Doctorovich, Fabio; Pellegrino, Juan","Synthesis, structure and reactivity of NO<sup>+</sup>, NO˙ and NO<sup>-</sup> pincer PCN-Rh complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7093","7108","10.1039/d0dt00962h","","","0.71073","MoKα","","0.0386","0.0255","","","0.0516","0.0567","","","","","","1.045","","","","has coordinates,has disorder","252839","2020-10-21","18:00:00",""
"7704298","10.8734","0.0005","15.0578","0.0006","14.9966","0.0007","90","","110.744","0.005","90","","2296.21","0.19","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H35 Cl N2 O P Rh -","- C20 H35 Cl N2 O P Rh -","- C80 H140 Cl4 N8 O4 P4 Rh4 -","4","1","","Gallego, Cecilia Mariel; Gaviglio, Carina; Ben-David, Yehoshoa; Milstein, David; Doctorovich, Fabio; Pellegrino, Juan","Synthesis, structure and reactivity of NO<sup>+</sup>, NO˙ and NO<sup>-</sup> pincer PCN-Rh complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7093","7108","10.1039/d0dt00962h","","x-ray","0.71073","MoKα","","0.0713","0.0424","","","0.0913","0.1085","","","","","","1.062","","","","has coordinates","252839","2020-10-21","18:00:00",""
"7704299","12.9981","0.0004","14.4017","0.0005","16.7912","0.0005","85.179","0.001","67.241","0.001","84.668","0.001","2881.99","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H50 B F24 N3 O P Rh -","- C54 H50 B F24 N3 O P Rh -","- C108 H100 B2 F48 N6 O2 P2 Rh2 -","2","1","","Gallego, Cecilia Mariel; Gaviglio, Carina; Ben-David, Yehoshoa; Milstein, David; Doctorovich, Fabio; Pellegrino, Juan","Synthesis, structure and reactivity of NO<sup>+</sup>, NO˙ and NO<sup>-</sup> pincer PCN-Rh complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7093","7108","10.1039/d0dt00962h","","","0.71073","MoKα","","0.0759","0.0472","","","0.1165","0.1315","","","","","","1.017","","","","has coordinates,has disorder","252839","2020-10-21","18:00:00",""
"7704300","7.4125","0.0006","28.588","0.003","7.5142","0.0006","90","","90","","90","","1592.3","0.2","298","","298","","","","","","","","","5","C m m m","-C 2 2","65","","","","- C28 H20 Fe N8 Pd -","- C28 H20 Fe N8 Pd -","- C56 H40 Fe2 N16 Pd2 -","2","0.125","","Li, Yue; Liu, Min; Yao, Zi-Shuo; Tao, Jun","Temperature-dependent hysteretic two-step spin crossover in two-dimensional Hofmann-type compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7245","7251","10.1039/d0dt00866d","","x-ray","0.71073","MoKα","","0.0439","0.0345","","","0.0852","0.0892","","","","","","1.014","","","","has coordinates,has disorder","252825","2020-10-21","18:00:00",""
"7704301","7.1424","0.0004","28.216","0.003","7.3155","0.0007","90","","90","","90","","1474.3","0.2","89","7","89","7","","","","","","","","5","C m m m","-C 2 2","65","","","","- C28 H20 Fe N8 Pt -","- C28 H20 Fe N8 Pt -","- C56 H40 Fe2 N16 Pt2 -","2","0.125","","Li, Yue; Liu, Min; Yao, Zi-Shuo; Tao, Jun","Temperature-dependent hysteretic two-step spin crossover in two-dimensional Hofmann-type compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7245","7251","10.1039/d0dt00866d","","x-ray","0.71073","MoKα","","0.0302","0.0295","","","0.075","0.0752","","","","","","1.132","","","","has coordinates,has disorder","252825","2020-10-21","18:00:00",""
"7704302","7.2305","0.0003","28.393","0.0014","7.3865","0.0005","90","","90","","90","","1516.42","0.14","190","","190","","","","","","","","","5","C m m m","-C 2 2","65","","","","- C28 H20 Fe N8 Pt -","- C28 H20 Fe N7 Pt -","- C56 H40 Fe2 N14 Pt2 -","2","0.125","","Li, Yue; Liu, Min; Yao, Zi-Shuo; Tao, Jun","Temperature-dependent hysteretic two-step spin crossover in two-dimensional Hofmann-type compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7245","7251","10.1039/d0dt00866d","","x-ray","0.71073","MoKα","","0.0491","0.0451","","","0.1157","0.1176","","","","","","1.067","","","","has coordinates,has disorder","252825","2020-10-21","18:00:00",""
"7704303","7.4043","0.0004","15.1012","0.0006","28.6158","0.0014","90","","90","","90","","3199.6","0.3","298","1","298","1","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C56 H40 Fe2 N16 Pt2 -","- C56 H40 Fe2 N15 Pt2 -","- C112 H80 Fe4 N30 Pt4 -","2","0.125","","Li, Yue; Liu, Min; Yao, Zi-Shuo; Tao, Jun","Temperature-dependent hysteretic two-step spin crossover in two-dimensional Hofmann-type compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7245","7251","10.1039/d0dt00866d","","x-ray","0.71073","MoKα","","0.0443","0.0348","","","0.0815","0.0874","","","","","","1.06","","","","has coordinates,has disorder","252825","2020-10-21","18:00:00",""
"7704304","7.2795","0.0005","14.9441","0.0013","28.394","0.002","90","","90","","90","","3088.9","0.4","195","","195","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C56 H40 Fe2 N16 Pd2 -","- C56 H39 Fe2 N16 Pd2 -","- C112 H78 Fe4 N32 Pd4 -","2","0.125","","Li, Yue; Liu, Min; Yao, Zi-Shuo; Tao, Jun","Temperature-dependent hysteretic two-step spin crossover in two-dimensional Hofmann-type compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7245","7251","10.1039/d0dt00866d","","x-ray","0.71073","MoKα","","0.0871","0.0741","","","0.1778","0.1829","","","","","","1.177","","","","has coordinates,has disorder","252825","2020-10-21","18:00:00",""
"7704305","14.6772","0.0011","7.1611","0.0004","28.221","0.002","90","","90","","90","","2966.2","0.3","84.9","1","84.9","1","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C56 H40 Fe2 N16 Pd2 -","- C55 H39 Fe2 N16 Pd2 -","- C110 H78 Fe4 N32 Pd4 -","2","0.125","","Li, Yue; Liu, Min; Yao, Zi-Shuo; Tao, Jun","Temperature-dependent hysteretic two-step spin crossover in two-dimensional Hofmann-type compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7245","7251","10.1039/d0dt00866d","","x-ray","0.71073","MoKα","","0.0696","0.0572","","","0.1422","0.1481","","","","","","1.169","","","","has coordinates,has disorder","252825","2020-10-21","18:00:00",""
"7704306","8.9646","0.0002","20.5099","0.0003","19.7286","0.0003","90","","90.345","0.001","90","","3627.29","0.11","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","compound3","","- C30 H59 Br Ge Si4 -","- C30 H59 Br Ge Si4 -","- C120 H236 Br4 Ge4 Si16 -","4","1","","Sugahara, Tomohiro; Espinosa Ferao, Arturo; Rey Planells, Alicia; Guo, Jing-Dong; Aoyama, Shin; Igawa, Kazunobu; Tomooka, Katsuhiko; Sasamori, Takahiro; Hashizume, Daisuke; Nagase, Shigeru; Tokitoh, Norihiro","1,2-Insertion reactions of alkynes into Ge-C bonds of arylbromogermylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7189","7196","10.1039/d0dt01223h","","","0.71073","MoKα","","0.0273","0.0246","","","0.0597","0.0607","","","","","","1.138","","","","has coordinates","252838","2020-10-21","18:00:00",""
"7704307","11.8162","0.0002","12.9307","0.0003","23.7235","0.0006","74.247","0.002","88.954","0.002","65.242","0.002","3149.01","0.14","103","2","103.15","","","","","","","","","8","P -1","-P 1","2","","","","- C54.22 H84.22 Br Ge N2 O4 S2 Si4 -","- C54.222 H84.222 Br Ge N2 O4 S2 Si4 -","- C108.444 H168.444 Br2 Ge2 N4 O8 S4 Si8 -","2","1","","Sugahara, Tomohiro; Espinosa Ferao, Arturo; Rey Planells, Alicia; Guo, Jing-Dong; Aoyama, Shin; Igawa, Kazunobu; Tomooka, Katsuhiko; Sasamori, Takahiro; Hashizume, Daisuke; Nagase, Shigeru; Tokitoh, Norihiro","1,2-Insertion reactions of alkynes into Ge-C bonds of arylbromogermylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7189","7196","10.1039/d0dt01223h","","","0.71073","MoKα","","0.0943","0.0674","","","0.1639","0.1788","","","","","","1.087","","","","has coordinates,has disorder","252838","2020-10-21","18:00:00",""
"7704308","10.5503","0.0005","20.8083","0.0007","24.3847","0.0009","90","","93.32","0.003","90","","5344.3","0.4","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H73 Br N2 O4 S2 Si5 -","- C45 H73 Br N2 O4 S2 Si5 -","- C180 H292 Br4 N8 O16 S8 Si20 -","4","1","","Sugahara, Tomohiro; Espinosa Ferao, Arturo; Rey Planells, Alicia; Guo, Jing-Dong; Aoyama, Shin; Igawa, Kazunobu; Tomooka, Katsuhiko; Sasamori, Takahiro; Hashizume, Daisuke; Nagase, Shigeru; Tokitoh, Norihiro","1,2-Insertion reactions of alkynes into Ge-C bonds of arylbromogermylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7189","7196","10.1039/d0dt01223h","","","0.71073","MoKα","","0.1052","0.0613","","","0.1464","0.1655","","","","","","1.052","","","","has coordinates","252838","2020-10-21","18:00:00",""
"7704309","10.1417","0.0002","16.7487","0.0003","22.3189","0.0004","90","","92.75","0.002","90","","3786.73","0.12","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H59 Br Si5 -","- C30 H59 Br Si5 -","- C120 H236 Br4 Si20 -","4","1","","Sugahara, Tomohiro; Espinosa Ferao, Arturo; Rey Planells, Alicia; Guo, Jing-Dong; Aoyama, Shin; Igawa, Kazunobu; Tomooka, Katsuhiko; Sasamori, Takahiro; Hashizume, Daisuke; Nagase, Shigeru; Tokitoh, Norihiro","1,2-Insertion reactions of alkynes into Ge-C bonds of arylbromogermylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7189","7196","10.1039/d0dt01223h","","","0.71073","MoKα","","0.0482","0.0372","","","0.091","0.0956","","","","","","1.022","","","","has coordinates","252838","2020-10-21","18:00:00",""
"7704310","10.7385","0.0001","20.7088","0.0002","26.3913","0.0003","76.872","0.001","88.089","0.001","78.773","0.001","5605.81","0.1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H80.06 Br0.94 Ge N2 O4.06 S2 Si4 -","- C50 H80.06 Br0.94 Ge N2 O4.06 S2 Si4 -","- C200 H320.24 Br3.76 Ge4 N8 O16.24 S8 Si16 -","4","2","","Sugahara, Tomohiro; Espinosa Ferao, Arturo; Rey Planells, Alicia; Guo, Jing-Dong; Aoyama, Shin; Igawa, Kazunobu; Tomooka, Katsuhiko; Sasamori, Takahiro; Hashizume, Daisuke; Nagase, Shigeru; Tokitoh, Norihiro","1,2-Insertion reactions of alkynes into Ge-C bonds of arylbromogermylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7189","7196","10.1039/d0dt01223h","","","0.71073","MoKα","","0.0598","0.0381","","","0.0819","0.0893","","","","","","1.018","","","","has coordinates,has disorder","252838","2020-10-21","18:00:00",""
"7704311","10.5431","0.0002","20.8098","0.0003","26.3903","0.0004","76.58","0.001","88.846","0.001","77.458","0.001","5494.74","0.16","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H76 Br Ge N2 O4 S2 Si4 -","- C48 H76 Br Ge N2 O4 S2 Si4 -","- C192 H304 Br4 Ge4 N8 O16 S8 Si16 -","4","2","","Sugahara, Tomohiro; Espinosa Ferao, Arturo; Rey Planells, Alicia; Guo, Jing-Dong; Aoyama, Shin; Igawa, Kazunobu; Tomooka, Katsuhiko; Sasamori, Takahiro; Hashizume, Daisuke; Nagase, Shigeru; Tokitoh, Norihiro","1,2-Insertion reactions of alkynes into Ge-C bonds of arylbromogermylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7189","7196","10.1039/d0dt01223h","","","0.71073","MoKα","","0.0932","0.0558","","","0.1198","0.1344","","","","","","1.016","","","","has coordinates,has disorder","252838","2020-10-21","18:00:00",""
"7704312","9.4929","0.0002","14.976","0.0005","17.9421","0.0004","108.253","0.002","97.505","0.002","106.236","0.003","2258.23","0.12","100","0.11","100","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C33 H36 Cl3 Cu6 N18 O12 -","- C33 H36 Cl3 Cu6 N18 O12 -","- C66 H72 Cl6 Cu12 N36 O24 -","2","1","","Lai, Ya-Liang; Wang, Xue-Zhi; Dai, Rui-Rong; Huang, Yong-Liang; Zhou, Xian-Chao; Zhou, Xiao-Ping; Li, Dan","Self-assembly of mixed-valence and heterometallic metallocycles: efficient catalysts for the oxidation of alcohols to aldehydes in ambient air.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7304","7308","10.1039/d0dt01340d","","x-ray","1.54184","CuKα","","0.0665","0.0552","","","0.1555","0.1612","","","","","","1.125","","","","has coordinates,has disorder","253890","2020-10-21","18:00:00",""
"7704313","9.3378","0.0001","16.306","0.0003","17.6821","0.0003","112.78","0.002","93.55","0.001","102.595","0.001","2390.32","0.08","102","3","102","3","","","","","","","","6","P -1","-P 1","2","","","","- C36 H41.33 Cl3 Cu6 N18 O12 -","- C36 H41.3333 Cl3 Cu6 N18 O12 -","- C72 H82.6666 Cl6 Cu12 N36 O24 -","2","1","","Lai, Ya-Liang; Wang, Xue-Zhi; Dai, Rui-Rong; Huang, Yong-Liang; Zhou, Xian-Chao; Zhou, Xiao-Ping; Li, Dan","Self-assembly of mixed-valence and heterometallic metallocycles: efficient catalysts for the oxidation of alcohols to aldehydes in ambient air.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7304","7308","10.1039/d0dt01340d","","x-ray","1.54184","CuKα","","0.0573","0.0507","","","0.1417","0.1462","","","","","","1.092","","","","has coordinates,has disorder","253890","2020-10-21","18:00:00",""
"7704314","9.4794","0.0006","15.6237","0.0008","17.3463","0.0006","109.865","0.004","96.933","0.004","102.87","0.005","2300.8","0.2","100.01","0.13","100.01","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 Ag3 Cu3 N21 O9 -","- C36 H42 Ag3 Cu3 N21 O9 -","- C72 H84 Ag6 Cu6 N42 O18 -","2","1","","Lai, Ya-Liang; Wang, Xue-Zhi; Dai, Rui-Rong; Huang, Yong-Liang; Zhou, Xian-Chao; Zhou, Xiao-Ping; Li, Dan","Self-assembly of mixed-valence and heterometallic metallocycles: efficient catalysts for the oxidation of alcohols to aldehydes in ambient air.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7304","7308","10.1039/d0dt01340d","","x-ray","1.54184","CuKα","","0.0835","0.0767","","","0.2203","0.2332","","","","","","1.098","","","","has coordinates,has disorder","253890","2020-10-21","18:00:00",""
"7704315","9.5892","0.0003","14.4378","0.0003","17.4445","0.0003","106.568","0.002","94.899","0.002","107.855","0.002","2163.47","0.1","100","0.13","100","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C33 H36 Ag3 Cu3 N21 O9 -","- C33 H36 Ag3 Cu3 N21 O9 -","- C66 H72 Ag6 Cu6 N42 O18 -","2","1","","Lai, Ya-Liang; Wang, Xue-Zhi; Dai, Rui-Rong; Huang, Yong-Liang; Zhou, Xian-Chao; Zhou, Xiao-Ping; Li, Dan","Self-assembly of mixed-valence and heterometallic metallocycles: efficient catalysts for the oxidation of alcohols to aldehydes in ambient air.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7304","7308","10.1039/d0dt01340d","","","1.54184","CuKα","","0.0746","0.0694","","","0.1968","0.2015","","","","","","1.142","","","","has coordinates","253890","2020-10-21","18:00:00",""
"7704316","9.6819","0.0006","13.4083","0.0009","22.4107","0.0015","90","","101.786","0.004","90","","2848","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Br3 N6 Ru2 -","- C28 H20 Br3 N6 Ru2 -","- C112 H80 Br12 N24 Ru8 -","4","1","","Kang, Shi-Rui; Zhou, Zi-Qin; Xiong, Chang-Feng; Liu, Bin; McGrady, John E.; Obies, Mohammed; Liu, Chao; He, Piao; Yi, Xiao-Yi","Structural, spectroscopic and electronic properties of a family of face-shared bi-octahedral Ru<sub>2</sub><sup>5+/6+</sup> complexes with a bridging 2,5-di(2-pyridyl)pyrrolide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7053","7059","10.1039/d0dt01325k","","","0.71073","MoKα","","0.0528","0.0327","","","0.0633","0.0714","","","","","","1.019","","","","has coordinates","252828","2020-10-21","18:00:00",""
"7704317","10.995","0.003","9.262","0.003","16.685","0.004","90","","125.483","0.016","90","","1383.6","0.7","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H20 Cl3 N6 O0 Ru2 -","- C28 H20 Cl3 N6 Ru2 -","- C56 H40 Cl6 N12 Ru4 -","2","0.5","","Kang, Shi-Rui; Zhou, Zi-Qin; Xiong, Chang-Feng; Liu, Bin; McGrady, John E.; Obies, Mohammed; Liu, Chao; He, Piao; Yi, Xiao-Yi","Structural, spectroscopic and electronic properties of a family of face-shared bi-octahedral Ru<sub>2</sub><sup>5+/6+</sup> complexes with a bridging 2,5-di(2-pyridyl)pyrrolide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7053","7059","10.1039/d0dt01325k","","","0.71073","MoKα","","0.0401","0.0286","","","0.0744","0.0805","","","","","","0.918","","","","has coordinates","252828","2020-10-21","18:00:00",""
"7704318","18.0733","0.0008","18.0733","0.0008","18.3272","0.0013","90","","90","","120","","5184.4","0.5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H10 N3 Ru0.33 -","- C14 H10 N3 Ru0.333333 -","- C252 H180 N54 Ru6 -","18","1","","Kang, Shi-Rui; Zhou, Zi-Qin; Xiong, Chang-Feng; Liu, Bin; McGrady, John E.; Obies, Mohammed; Liu, Chao; He, Piao; Yi, Xiao-Yi","Structural, spectroscopic and electronic properties of a family of face-shared bi-octahedral Ru<sub>2</sub><sup>5+/6+</sup> complexes with a bridging 2,5-di(2-pyridyl)pyrrolide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7053","7059","10.1039/d0dt01325k","","x-ray","0.71073","MoKα","","0.0539","0.0394","","","0.1061","0.1141","","","","","","1.076","","","","has coordinates,has disorder","252828","2020-10-21","18:00:00",""
"7704319","14.1146","0.0012","18.9344","0.0015","16.0229","0.0014","90","","115.47","0.005","90","","3866","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 I7 N6 Ru2 -","- C28 H20 I7 N6 Ru2 -","- C112 H80 I28 N24 Ru8 -","4","1","","Kang, Shi-Rui; Zhou, Zi-Qin; Xiong, Chang-Feng; Liu, Bin; McGrady, John E.; Obies, Mohammed; Liu, Chao; He, Piao; Yi, Xiao-Yi","Structural, spectroscopic and electronic properties of a family of face-shared bi-octahedral Ru<sub>2</sub><sup>5+/6+</sup> complexes with a bridging 2,5-di(2-pyridyl)pyrrolide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7053","7059","10.1039/d0dt01325k","","","0.71073","MoKα","","0.1345","0.0702","","","0.1905","0.2305","","","","","","1.041","","","","has coordinates","252828","2020-10-21","18:00:00",""
"7704320","7.378","0.0012","8.3356","0.0014","11.1835","0.0018","92.525","0.002","93.756","0.002","112.471","0.002","632.42","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Br6 F2 N2 Sn -","- C16 H22 Br6 F2 N2 Sn -","- C16 H22 Br6 F2 N2 Sn -","1","0.5","","You, Xiuli; Yao, Jiaojiao; Wei, Zhenhong","Tin based organic-inorganic hybrid semiconductors with reversible phase transition and dielectric anomaly.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7252","7257","10.1039/d0dt01401j","","","0.71073","MoKα","","0.0533","0.0363","","","0.1083","0.1287","","","","","","0.892","","","","has coordinates","252837","2020-10-21","18:00:00",""
"7704321","7.1559","0.0002","8.1399","0.0002","10.8356","0.0003","92.294","0.002","93.386","0.003","111.595","0.003","584.53","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Cl6 F2 N2 Sn -","- C16 H22 Cl6 F2 N2 Sn -","- C16 H22 Cl6 F2 N2 Sn -","1","0.5","","You, Xiuli; Yao, Jiaojiao; Wei, Zhenhong","Tin based organic-inorganic hybrid semiconductors with reversible phase transition and dielectric anomaly.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7252","7257","10.1039/d0dt01401j","","","0.71073","MoKα","","0.0309","0.0299","","","0.0778","0.0779","","","","","","2.979","","","","has coordinates","252837","2020-10-21","18:00:00",""
"7704322","7.6657","0.0002","17.2855","0.0005","17.1528","0.0005","90","","90","","90","","2272.84","0.11","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H27 N3 O2 S2 -","- C23 H27 N3 O2 S2 -","- C92 H108 N12 O8 S8 -","4","1","","Johnson, Katherine R.; Vittardi, Sebastian B.; Gracia-Nava, Manuel A; Rack, Jeffrey J.; de Bettencourt-Dias, Ana","Luminescent lanthanide complexes with a pyridine-bis(carboxamide)-bithiophene sensitizer showing wavelength-dependent singlet oxygen generation.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6661","6667","10.1039/d0dt01034k","","","0.71073","MoKα","","0.032","0.031","","","0.0895","0.0905","","","","","","1.096","","","","has coordinates,has disorder","252781","2020-10-21","18:00:00",""
"7704323","18.1321","0.0014","18.8474","0.0014","20.315","0.0015","85.563","0.001","86.474","0.001","62.93","0.001","6160.7","0.8","296","2","296.15","","","","","","","","","9","P -1","-P 1","2","","","","- C36 H48 Co9 N12 Na14 O202 P12 Se4 W24 -","- C36 H48 Co9 N12 Na14 O202 P12 Se4 W24 -","- C36 H48 Co9 N12 Na14 O202 P12 Se4 W24 -","1","0.5","","Kong, Hui; He, Peipei; Yang, Zongfei; Xu, Qiaofei; Wang, Jiawei; Ban, Ran; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Selenotungstates incorporating organophosphonate ligands and metal ions: synthesis, characterization, magnetism and catalytic efficiency in the Knoevenagel condensation reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7420","7425","10.1039/d0dt00444h","","","0.71073","MoKα","","0.0844","0.0601","","","0.1596","0.1758","","","","","","1.074","","","","has coordinates,has disorder","253870","2020-10-21","18:00:00",""
"7704324","16.7391","0.001","19.6892","0.0013","24.9113","0.0015","91.136","0.001","103.471","0.001","109.907","0.001","7463","0.8","296","2","296.15","","","","","","","","","10","P -1","-P 1","2","","","","- C18 H24 Co4 Cs2 N6 Na2 O87 P6 Se2 W12 -","- C18 H24 Co4 Cs2 N6 Na2 O87 P6 Se2 W12 -","- C36 H48 Co8 Cs4 N12 Na4 O174 P12 Se4 W24 -","2","1","","Kong, Hui; He, Peipei; Yang, Zongfei; Xu, Qiaofei; Wang, Jiawei; Ban, Ran; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Selenotungstates incorporating organophosphonate ligands and metal ions: synthesis, characterization, magnetism and catalytic efficiency in the Knoevenagel condensation reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7420","7425","10.1039/d0dt00444h","","","0.71073","MoKα","","0.1025","0.0609","","","0.1636","0.1923","","","","","","1.026","","","","has coordinates,has disorder","253870","2020-10-21","18:00:00",""
"7704325","16.9074","0.0019","19.793","0.002","24.551","0.003","90.418","0.002","104.442","0.002","111.826","0.002","7340.1","1.4","296","2","296.15","","","","","","","","","10","P -1","-P 1","2","","","","- C18 H24 Cs2 N6 Na2 Ni4 O90 P6 Se2 W12 -","- C18 H24 Cs2 N6 Na2 Ni4 O90 P6 Se2 W12 -","- C36 H48 Cs4 N12 Na4 Ni8 O180 P12 Se4 W24 -","2","1","","Kong, Hui; He, Peipei; Yang, Zongfei; Xu, Qiaofei; Wang, Jiawei; Ban, Ran; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Selenotungstates incorporating organophosphonate ligands and metal ions: synthesis, characterization, magnetism and catalytic efficiency in the Knoevenagel condensation reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7420","7425","10.1039/d0dt00444h","","","0.71073","MoKα","","0.1081","0.0554","","","0.125","0.1513","","","","","","0.94","","","","has coordinates,has disorder","253870","2020-10-21","18:00:00",""
"7704326","13.432","0.0004","14.8221","0.0005","15.7791","0.0005","90.092","0.002","101.455","0.002","91.416","0.002","3077.88","0.17","140","2","140","","","","","","","","","4","P -1","-P 1","2","DEOC","di(ethoxycarbonyl)oxacalix[4]arene","","- C60 H40 N8 O32 -","- C60 H40 N8 O32 -","- C120 H80 N16 O64 -","2","1","","Dey, Shuvankar; Kumar, Anshu; Mondal, Pradip Kumar; Modi, Krunal M.; Chopra, Deepak; Jain, Vinod K.","An oxacalix[4]arene derived dual sensing fluorescent probe for the detection of As(v) and Cr(vi) oxyanions in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7459","7466","10.1039/d0dt00452a","","","0.71073","MoKα","","0.2316","0.0789","","","0.1867","0.2483","","","","","","0.914","","","","has coordinates,has disorder","253876","2020-10-21","18:00:00",""
"7704327","36.8408","0.0013","36.8408","0.0013","14.839","0.001","90","","90","","90","","20140.2","1.7","150","2","150","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C196 H186 Cl4 Dy4 N40 O13 S8 -","- C136 H118 Cl4 Dy4 N28 O13 S8 -","- C544 H472 Cl16 Dy16 N112 O52 S32 -","4","0.25","","Salinas-Uber, Jorge; Barrios, Leoní A; Roubeau, Olivier; Aromí, Guillem","Two [Ln<sub>4</sub>] molecular rings folded as compact tetrahedra.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7182","7188","10.1039/d0dt01259a","","","0.71073","MoKα","","0.1113","0.0798","","","0.1783","0.1946","","","","","","1.058","","","","has coordinates,has disorder","252841","2020-10-21","18:00:00",""
"7704328","36.883","0.0014","36.883","0.0014","14.7878","0.0007","90","","90","","90","","20116.7","1.4","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C178 H174 Cl4 N36 O15 S8 Tb4 -","- C168 H148 Cl4 N34 O15 S8 Tb4 -","- C672 H592 Cl16 N136 O60 S32 Tb16 -","4","0.25","","Salinas-Uber, Jorge; Barrios, Leoní A; Roubeau, Olivier; Aromí, Guillem","Two [Ln<sub>4</sub>] molecular rings folded as compact tetrahedra.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7182","7188","10.1039/d0dt01259a","","","0.7749","synchrotron","","0.0913","0.0722","","","0.1849","0.2065","","","","","","1.04","","","","has coordinates,has disorder","252841","2020-10-21","18:00:00",""
"7704329","5.0341","0.0007","5.0341","0.0007","27.005","0.005","90","","90","","90","","684.37","0.18","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","","","- C4 H8 N4 O3 -","- C4 H8 N4 O3 -","- C16 H32 N16 O12 -","4","1","","Matos, Catiúcia R M O; S Junior, Henrique C; D'Amato, Dayenny L; de Souza, Acácio S; Pinheiro, Sérgio; Guedes, Guilherme P.; Ferreira, Glaucio B.; Alves, Odivaldo C.; de Almeida, Filipe B.; Garcia, Flávio; Ronconi, Célia M","Spin-frustration with two quasi-degenerated spin states of a copper(II) heptanuclear complex obtained from an amino acid ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16359","16367","10.1039/c9dt04501e","","","0.71073","MoKα","","0.0519","0.0342","","","0.0574","0.0621","","","","","","1.046","","","","has coordinates","260772","2021-01-07","06:26:31",""
"7704330","11.1571","0.0003","11.6296","0.0004","13.2772","0.0003","109.647","0.001","105.502","0.001","102.936","0.001","1467.04","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H26 Cu3.5 N15 O21 -","- C12 H26 Cu3.5 N15 O21 -","- C24 H52 Cu7 N30 O42 -","2","1","","Matos, Catiúcia R M O; S Junior, Henrique C; D'Amato, Dayenny L; de Souza, Acácio S; Pinheiro, Sérgio; Guedes, Guilherme P.; Ferreira, Glaucio B.; Alves, Odivaldo C.; de Almeida, Filipe B.; Garcia, Flávio; Ronconi, Célia M","Spin-frustration with two quasi-degenerated spin states of a copper(II) heptanuclear complex obtained from an amino acid ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16359","16367","10.1039/c9dt04501e","","","0.71073","MoKα","","0.0412","0.0306","","","0.0785","0.0846","","","","","","1.019","","","","has coordinates,has disorder","260772","2021-01-07","06:26:34",""
"7704331","6.0559","0.0003","22.1208","0.0011","12.1647","0.0006","90","","94.721","0.005","90","","1624.07","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Pb4(2,6-ndc)3Cl2]n","","","- C18 H9 Cl O6 Pb2 -","- C18 H9 Cl O6 Pb2 -","- C72 H36 Cl4 O24 Pb8 -","4","1","","Lu, Jian; Wang, Shuai-Hua; Li, Yan; Wang, Wen-Fei; Sun, Cai; Li, Pei-Xin; Zheng, Fa-Kun; Guo, Guo-Cong","Heat-resistant Pb(ii)-based X-ray scintillating metal-organic frameworks for sensitive dosage detection via an aggregation-induced luminescent chromophore.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7309","7314","10.1039/d0dt00974a","","x-ray","0.71073","MoKα","","0.0386","0.0315","","","0.0667","0.0686","","","","","","1.06","","","","has coordinates","253878","2020-10-21","18:00:00",""
"7704332","6.0493","0.0004","12.1823","0.0006","22.6741","0.0014","90","","91.064","0.005","90","","1670.67","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Pb4(2,6-ndc)3Br2]n","","","- C18 H9 Br O6 Pb2 -","- C18 H9 Br O6 Pb2 -","- C72 H36 Br4 O24 Pb8 -","4","1","","Lu, Jian; Wang, Shuai-Hua; Li, Yan; Wang, Wen-Fei; Sun, Cai; Li, Pei-Xin; Zheng, Fa-Kun; Guo, Guo-Cong","Heat-resistant Pb(ii)-based X-ray scintillating metal-organic frameworks for sensitive dosage detection via an aggregation-induced luminescent chromophore.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7309","7314","10.1039/d0dt00974a","","x-ray","0.71073","MoKα","","0.0683","0.0522","","","0.0903","0.0941","","","","","","1.165","","","","has coordinates","253878","2020-10-21","18:00:00",""
"7704333","35.3443","0.0012","11.0755","0.0004","30.2179","0.0011","90","","118.915","0.001","90","","10354.3","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H34 Au Cl N P S2 -","- C23.5 H34 Au Cl N P S2 -","- C376 H544 Au16 Cl16 N16 P16 S32 -","16","2","","Le, Hai Van; Babak, Maria V.; Ehsan, Muhammad Ali; Altaf, Muhammad; Reichert, Lisa; Gushchin, Artem L.; Ang, Wee Han; Isab, Anvarhusein A.","Highly cytotoxic gold(i)-phosphane dithiocarbamate complexes trigger an ER stress-dependent immune response in ovarian cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7355","7363","10.1039/d0dt01411g","","","0.71073","MoKα","","0.0269","0.0231","","","0.0463","0.0475","","","","","","1.065","","","","has coordinates,has disorder","253880","2020-10-21","18:00:00",""
"7704334","26.0916","0.001","44.773","0.002","24.543","0.001","90","","90","","90","","28671","2","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C40.5 H81 Au8 Cl N8 S16 -","- C40.5 H81 Au8 Cl N8 S16 -","- C648 H1296 Au128 Cl16 N128 S256 -","16","1","","Le, Hai Van; Babak, Maria V.; Ehsan, Muhammad Ali; Altaf, Muhammad; Reichert, Lisa; Gushchin, Artem L.; Ang, Wee Han; Isab, Anvarhusein A.","Highly cytotoxic gold(i)-phosphane dithiocarbamate complexes trigger an ER stress-dependent immune response in ovarian cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7355","7363","10.1039/d0dt01411g","","","0.71073","MoKα","","0.043","0.0284","","","0.0434","0.0463","","","","","","1.021","","","","has coordinates","253880","2020-10-21","18:00:00",""
"7704335","9.5931","0.0002","11.3803","0.0003","15.108","0.0003","107.692","0.001","104.572","0.001","96.872","0.001","1486.02","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H45 Au N P S2 -","- C29 H45 Au N P S2 -","- C58 H90 Au2 N2 P2 S4 -","2","1","","Le, Hai Van; Babak, Maria V.; Ehsan, Muhammad Ali; Altaf, Muhammad; Reichert, Lisa; Gushchin, Artem L.; Ang, Wee Han; Isab, Anvarhusein A.","Highly cytotoxic gold(i)-phosphane dithiocarbamate complexes trigger an ER stress-dependent immune response in ovarian cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7355","7363","10.1039/d0dt01411g","","","0.71073","MoKα","","0.019","0.0174","","","0.0373","0.038","","","","","","1.059","","","","has coordinates,has disorder","253880","2020-10-21","18:00:00",""
"7704336","10.9925","0.0004","13.0068","0.0004","19.473","0.0006","90","","97.212","0.0013","90","","2762.17","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 Au N P S2 -","- C27 H41 Au N P S2 -","- C108 H164 Au4 N4 P4 S8 -","4","1","","Le, Hai Van; Babak, Maria V.; Ehsan, Muhammad Ali; Altaf, Muhammad; Reichert, Lisa; Gushchin, Artem L.; Ang, Wee Han; Isab, Anvarhusein A.","Highly cytotoxic gold(i)-phosphane dithiocarbamate complexes trigger an ER stress-dependent immune response in ovarian cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7355","7363","10.1039/d0dt01411g","","","0.71073","MoKα","","0.0285","0.0248","","","0.0569","0.0583","","","","","","1.118","","","","has coordinates,has disorder","253880","2020-10-21","18:00:00",""
"7704337","9.1592","0.0003","15.1831","0.0005","14.3006","0.0005","90","","103.649","0.001","90","","1932.55","0.11","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Pt(tape)(CH3)2","","- C16 H30 P2 Pt -","- C16 H30 P2 Pt -","- C64 H120 P8 Pt4 -","4","0.5","","Drover, Marcus W.; Bowes, Eric G.; Dufour, Maeve C.; Lesperance-Nantau, Lindsay A","Platinum complexes of a boron-rich diphosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16312","16318","10.1039/d0dt00963f","","","1.54178","CuKα","","0.0182","0.0172","","","0.0443","0.0448","","","","","","1.171","","","","has coordinates","260787","2021-01-07","06:30:38",""
"7704338","16.643","0.003","9.42","0.0019","17.491","0.004","90","","90","","90","","2742.2","1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H24 Eu N7 O9 -","- C24 H24 Eu N7 O9 -","- C96 H96 Eu4 N28 O36 -","4","0.5","","Kim, Seongwoo; Lee, Jooyeon; Jeoung, Sungeun; Moon, Hoi Ri; Kim, Min","Dual-fixations of europium cations and TEMPO species on metal-organic frameworks for the aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8060","8066","10.1039/d0dt01324b","","","0.71073","MoKα","","0.0579","0.0357","","","0.0986","0.1227","","","","","","1.008","","","","has coordinates","253866","2020-10-21","18:00:00",""
"7704339","24.99","0.002","18.4811","0.0017","17.3011","0.0017","90","","108.166","0.006","90","","7592.1","1.2","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H74 B2 Cl6 N4 O2 -","- C78 H74 B2 Cl6 N4 O2 -","- C312 H296 B8 Cl24 N16 O8 -","4","0.5","","Vanga, Mukundam; Sa, Shreenibasa; Kumari, Anupa; Murali, Anna Chandrasekar; Nayak, Prakash; Das, Ritwick; Venkatasubbaiah, Krishnan","Synthesis of π-extended B ←N coordinated phenanthroimidazole dimers and their linear and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7737","7746","10.1039/d0dt01024c","","","0.71073","MoKα","","0.1665","0.0764","","","0.1972","0.2331","","","","","","0.933","","","","has coordinates,has disorder","253907","2020-10-21","18:00:00",""
"7704340","15.4087","0.0005","16.283","0.0006","16.8471","0.0008","103.453","0.004","115.561","0.004","105.55","0.003","3365.7","0.3","293.6","0.2","293.6","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C83 H76 B2 N4 -","- C83 H76 B2 N4 -","- C166 H152 B4 N8 -","2","1","","Vanga, Mukundam; Sa, Shreenibasa; Kumari, Anupa; Murali, Anna Chandrasekar; Nayak, Prakash; Das, Ritwick; Venkatasubbaiah, Krishnan","Synthesis of π-extended B ←N coordinated phenanthroimidazole dimers and their linear and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7737","7746","10.1039/d0dt01024c","","x-ray","1.54184","CuKα","","0.1181","0.083","","","0.2417","0.2715","","","","","","1.031","","","","has coordinates","253907","2020-10-21","18:00:00",""
"7704341","16.7657","0.0016","17.7131","0.0016","38.891","0.003","90","","95.378","0.007","90","","11498.7","1.8","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H68 B2 N4 -","- C70 H68 B2 N4 -","- C560 H544 B16 N32 -","8","1","","Vanga, Mukundam; Sa, Shreenibasa; Kumari, Anupa; Murali, Anna Chandrasekar; Nayak, Prakash; Das, Ritwick; Venkatasubbaiah, Krishnan","Synthesis of π-extended B ←N coordinated phenanthroimidazole dimers and their linear and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7737","7746","10.1039/d0dt01024c","","","0.71073","MoKα","","0.1209","0.0731","","","0.206","0.2287","","","","","","1.107","","","","has coordinates","253907","2020-10-21","18:00:00",""
"7704342","10.0256","0.0008","11.0728","0.0011","23.605","0.002","82.719","0.005","81.3","0.005","78.268","0.006","2523.7","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H46 B2 N4 S -","- C62 H46 B2 N4 S -","- C124 H92 B4 N8 S2 -","2","1","","Vanga, Mukundam; Sa, Shreenibasa; Kumari, Anupa; Murali, Anna Chandrasekar; Nayak, Prakash; Das, Ritwick; Venkatasubbaiah, Krishnan","Synthesis of π-extended B ←N coordinated phenanthroimidazole dimers and their linear and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7737","7746","10.1039/d0dt01024c","","","0.71073","MoKα","","0.1535","0.0614","","","0.1345","0.1577","","","","","","0.896","","","","has coordinates","253907","2020-10-21","18:00:00",""
"7704343","18.6199","0.0003","18.6199","0.0003","38.2895","0.0008","90","","90","","120","","11496.5","0.4","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C37 H50 Cu2 N6 O16 -","- C23 H12 Cu2 N O11 -","- C207 H108 Cu18 N9 O99 -","9","0.25","","Xu, Tingting; Fan, Lihui; Jiang, Zhenzhen; Zhou, Ping; Li, Ziruo; Lu, Huangyan; He, Yabing","Immobilization of N-oxide functionality into NbO-type MOFs for significantly enhanced C<sub>2</sub>H<sub>2</sub>/CH<sub>4</sub> and CO<sub>2</sub>/CH<sub>4</sub> separations.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7174","7181","10.1039/d0dt01081b","","x-ray","0.71073","MoKα","","0.0386","0.0366","","","0.1208","0.1227","","","","","","1.078","","","","has coordinates,has disorder","252826","2020-10-21","18:00:00",""
"7704344","18.5543","0.0007","18.5543","0.0007","38.4604","0.0019","90","","90","","120","","11466.6","0.8","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C37 H50 Cu2 N6 O16 -","- C22 H11 Cu2 N O11 -","- C198 H99 Cu18 N9 O99 -","9","0.25","","Xu, Tingting; Fan, Lihui; Jiang, Zhenzhen; Zhou, Ping; Li, Ziruo; Lu, Huangyan; He, Yabing","Immobilization of N-oxide functionality into NbO-type MOFs for significantly enhanced C<sub>2</sub>H<sub>2</sub>/CH<sub>4</sub> and CO<sub>2</sub>/CH<sub>4</sub> separations.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7174","7181","10.1039/d0dt01081b","","x-ray","1.54178","CuKα","","0.0601","0.0515","","","0.1443","0.1523","","","","","","0.97","","","","has coordinates,has disorder","252826","2020-10-21","18:00:00",""
"7704345","18.5593","0.001","18.5593","0.001","38.48","0.002","90","","90","","120","","11478.6","1.1","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C37 H52 Cu2 N6 O16 -","- C22 H11 Cu2 N O10 -","- C198 H99 Cu18 N9 O90 -","9","0.25","","Xu, Tingting; Fan, Lihui; Jiang, Zhenzhen; Zhou, Ping; Li, Ziruo; Lu, Huangyan; He, Yabing","Immobilization of N-oxide functionality into NbO-type MOFs for significantly enhanced C<sub>2</sub>H<sub>2</sub>/CH<sub>4</sub> and CO<sub>2</sub>/CH<sub>4</sub> separations.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7174","7181","10.1039/d0dt01081b","","x-ray","1.54178","CuKα","","0.0461","0.043","","","0.1334","0.1391","","","","","","1.083","","","","has coordinates,has disorder","252826","2020-10-21","18:00:00",""
"7704346","18.8787","0.0011","15.7181","0.0009","27.6141","0.0015","90","","105.651","0.001","90","","7890.3","0.8","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H78 N2 O2 P2 Zr -","- C68 H78 N2 O2 P2 Zr -","- C272 H312 N8 O8 P8 Zr4 -","4","0.5","","Normand, Adrien T.; Malacea-Kabbara, Raluca; Lapenta, Rosita; Dajnak, Aymeric; Richard, Philippe; Cattey, Hélène; Bolley, Anaëlle; Grassi, Alfonso; Milione, Stefano; Auffrant, Audrey; Dagorne, Samuel; Le Gendre, Pierre","Phosphasalen group IV metal complexes: synthesis, characterization and ring opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6989","7004","10.1039/d0dt00972e","","x-ray","0.71073","MoKα","","0.0659","0.0514","","","0.139","0.1497","","","","","","1.042","","","","has coordinates,has disorder","252830","2020-10-21","18:00:00",""
"7704347","13.2872","0.0007","16.4819","0.001","16.7752","0.0009","69.077","0.002","75.579","0.003","80.202","0.003","3310","0.3","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C80 H114 N2 O2 P2 Zr -","- C62 H72 N2 O2 P2 Zr -","- C124 H144 N4 O4 P4 Zr2 -","2","1","","Normand, Adrien T.; Malacea-Kabbara, Raluca; Lapenta, Rosita; Dajnak, Aymeric; Richard, Philippe; Cattey, Hélène; Bolley, Anaëlle; Grassi, Alfonso; Milione, Stefano; Auffrant, Audrey; Dagorne, Samuel; Le Gendre, Pierre","Phosphasalen group IV metal complexes: synthesis, characterization and ring opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6989","7004","10.1039/d0dt00972e","","x-ray","0.71073","MoKα","K-L~3~","0.0913","0.0531","","","0.1366","0.1546","","","","","","1.025","","","","has coordinates,has disorder","252830","2020-10-21","18:00:00",""
"7704348","9.7379","0.0004","18.0542","0.0008","28.0036","0.0019","90","","90","","90","","4923.3","0.4","115","","115","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H68 N2 O2 P2 -","- C55 H68 N2 O2 P2 -","- C220 H272 N8 O8 P8 -","4","1","","Normand, Adrien T.; Malacea-Kabbara, Raluca; Lapenta, Rosita; Dajnak, Aymeric; Richard, Philippe; Cattey, Hélène; Bolley, Anaëlle; Grassi, Alfonso; Milione, Stefano; Auffrant, Audrey; Dagorne, Samuel; Le Gendre, Pierre","Phosphasalen group IV metal complexes: synthesis, characterization and ring opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6989","7004","10.1039/d0dt00972e","","x-ray","0.71073","MoKα","","0.0499","0.0395","","","0.0807","0.0851","","","","","","1.031","","","","has coordinates,has disorder","252830","2020-10-21","18:00:00",""
"7704349","16.866","0.018","13.874","0.014","20.49","0.02","90","","92.56","0.03","90","","4790","8","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54.1 H66.2 Cl0.2 N2 O2 P2 -","- C54.1 H66.2 Cl0.2 N2 O2 P2 -","- C216.4 H264.8 Cl0.8 N8 O8 P8 -","4","0.5","","Normand, Adrien T.; Malacea-Kabbara, Raluca; Lapenta, Rosita; Dajnak, Aymeric; Richard, Philippe; Cattey, Hélène; Bolley, Anaëlle; Grassi, Alfonso; Milione, Stefano; Auffrant, Audrey; Dagorne, Samuel; Le Gendre, Pierre","Phosphasalen group IV metal complexes: synthesis, characterization and ring opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6989","7004","10.1039/d0dt00972e","","x-ray","0.71073","MoKα","","0.1045","0.0484","","","0.097","0.1176","","","","","","1.009","","","","has coordinates,has disorder","252830","2020-10-21","18:00:00",""
"7704350","13.449","0.003","27.82","0.007","14.86","0.004","90","","97.91","0.004","90","","5507","2","115","","115","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H78 N4 O2 P2 Ti -","- C59 H78 N4 O2 P2 Ti -","- C236 H312 N16 O8 P8 Ti4 -","4","1","","Normand, Adrien T.; Malacea-Kabbara, Raluca; Lapenta, Rosita; Dajnak, Aymeric; Richard, Philippe; Cattey, Hélène; Bolley, Anaëlle; Grassi, Alfonso; Milione, Stefano; Auffrant, Audrey; Dagorne, Samuel; Le Gendre, Pierre","Phosphasalen group IV metal complexes: synthesis, characterization and ring opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6989","7004","10.1039/d0dt00972e","","","0.71073","MoKα","","0.1","0.056","","","0.1022","0.1182","","","","","","1.044","","","","has coordinates,has disorder","252830","2020-10-21","18:00:00",""
"7704351","9.628","","15.392","","19.387","","73.03","","82.93","","88.87","","2726.65","","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C62.79 H77.45 Br0.04 N2 O2 P2 -","- C62.788 H77.4488 Br0.0424 N2 O2 P2 -","- C125.576 H154.898 Br0.0848 N4 O4 P4 -","2","1","","Normand, Adrien T.; Malacea-Kabbara, Raluca; Lapenta, Rosita; Dajnak, Aymeric; Richard, Philippe; Cattey, Hélène; Bolley, Anaëlle; Grassi, Alfonso; Milione, Stefano; Auffrant, Audrey; Dagorne, Samuel; Le Gendre, Pierre","Phosphasalen group IV metal complexes: synthesis, characterization and ring opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6989","7004","10.1039/d0dt00972e","","x-ray","1.54178","CuKα","","0.0718","0.0553","","","0.1364","0.1467","","","","","","1.041","","","","has coordinates,has disorder","252830","2020-10-21","18:00:00",""
"7704352","13.3263","0.0004","15.6278","0.0005","16.7838","0.0006","97.578","0.0016","94.767","0.0015","106.99","0.0015","3286.27","0.19","115","","115","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H84 Cl6 N2 O4 P2 Zr -","- C63 H84 Cl6 N2 O4 P2 Zr -","- C126 H168 Cl12 N4 O8 P4 Zr2 -","2","1","","Normand, Adrien T.; Malacea-Kabbara, Raluca; Lapenta, Rosita; Dajnak, Aymeric; Richard, Philippe; Cattey, Hélène; Bolley, Anaëlle; Grassi, Alfonso; Milione, Stefano; Auffrant, Audrey; Dagorne, Samuel; Le Gendre, Pierre","Phosphasalen group IV metal complexes: synthesis, characterization and ring opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6989","7004","10.1039/d0dt00972e","","x-ray","0.71073","MoKα","","0.0637","0.0452","","","0.1075","0.1208","","","","","","1.045","","","","has coordinates,has disorder","252830","2020-10-21","18:00:00",""
"7704353","13.3206","0.0009","13.3221","0.0008","22.2555","0.0013","104.471","0.003","102.628","0.003","101.728","0.003","3589.9","0.4","115","","115","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H82 Cl4 N2 O4 P2 Zr -","- C66 H82 Cl4 N2 O4 P2 Zr -","- C132 H164 Cl8 N4 O8 P4 Zr2 -","2","1","","Normand, Adrien T.; Malacea-Kabbara, Raluca; Lapenta, Rosita; Dajnak, Aymeric; Richard, Philippe; Cattey, Hélène; Bolley, Anaëlle; Grassi, Alfonso; Milione, Stefano; Auffrant, Audrey; Dagorne, Samuel; Le Gendre, Pierre","Phosphasalen group IV metal complexes: synthesis, characterization and ring opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6989","7004","10.1039/d0dt00972e","","x-ray","0.71073","MoKα","","0.1175","0.088","","","0.2468","0.2619","","","","","","1.179","","","","has coordinates,has disorder","252830","2020-10-21","18:00:00",""
"7704354","16.9665","0.001","27.054","0.0017","18.9109","0.0012","90","","116.274","0.0018","90","","7783.6","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C138 H160 N4 O4 P4 Zr2 -","- C138 H160 N4 O4 P4 Zr2 -","- C276 H320 N8 O8 P8 Zr4 -","2","0.5","","Normand, Adrien T.; Malacea-Kabbara, Raluca; Lapenta, Rosita; Dajnak, Aymeric; Richard, Philippe; Cattey, Hélène; Bolley, Anaëlle; Grassi, Alfonso; Milione, Stefano; Auffrant, Audrey; Dagorne, Samuel; Le Gendre, Pierre","Phosphasalen group IV metal complexes: synthesis, characterization and ring opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6989","7004","10.1039/d0dt00972e","","x-ray","0.71073","MoKα","","0.0783","0.0567","","","0.1528","0.1749","","","","","","1.034","","","","has coordinates","252830","2020-10-21","18:00:00",""
"7704355","13.146","0.003","16.86","0.004","26.432","0.007","77.952","0.004","76.799","0.004","69.323","0.004","5283","2","296","2","296","2","","","","","","","","10","P -1","-P 1","2","","","","- C9 H64 Co K N15 Na2 O83 Si2 Sn W19 -","- C9 H48 Co K N15 Na2 O83 Si2 Sn W19 -","- C18 H96 Co2 K2 N30 Na4 O166 Si4 Sn2 W38 -","2","1","","Zhang, Yao; Li, Meng-Xuan; Hao, Qiang; Su, Fang; Zhu, Zai-Ming; Li, Jian-Sheng; Sang, Xiao-Jing; Wang, Chang-Sheng; Zhang, Lan-Cui","Two new estertin modified tungstosilicates: synthesis, catalytic activity and photoelectrochemical property.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7234","7244","10.1039/d0dt00217h","","","0.71073","MoKα","","0.0732","0.0454","","","0.1","0.1123","","","","","","1.04","","","","has coordinates,has disorder","252829","2020-10-21","18:00:00",""
"7704356","24.415","0.003","33.577","0.004","14.3325","0.0017","90","","109.104","0.002","90","","11102","2","296","2","296","2","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","","- C9 H70 K Mn N15 Na2 O86 Si2 Sn W19 -","- C9 H42.5 K Mn N15 Na2 O86 Si2 Sn W19 -","- C36 H170 K4 Mn4 N60 Na8 O344 Si8 Sn4 W76 -","4","0.5","","Zhang, Yao; Li, Meng-Xuan; Hao, Qiang; Su, Fang; Zhu, Zai-Ming; Li, Jian-Sheng; Sang, Xiao-Jing; Wang, Chang-Sheng; Zhang, Lan-Cui","Two new estertin modified tungstosilicates: synthesis, catalytic activity and photoelectrochemical property.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7234","7244","10.1039/d0dt00217h","","","0.71073","MoKα","","0.0471","0.0351","","","0.0841","0.0899","","","","","","1.032","","","","has coordinates,has disorder","252829","2020-10-21","18:00:00",""
"7704357","4.3066","0.0004","17.7428","0.0011","8.1657","0.0005","90","","102.475","0.007","90","","609.22","0.08","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H12 Cl N5 O -","- C11 H12 Cl N5 O -","- C22 H24 Cl2 N10 O2 -","2","1","","Cukierman, Daphne S.; Lázaro, Diana F; Sacco, Pamela; Ferreira, Patrícia R; Diniz, Renata; Fernández, Claudio O; Outeiro, Tiago F.; Rey, Nicolás A","X1INH, an improved next-generation affinity-optimized hydrazonic ligand, attenuates abnormal copper(I)/copper(II)-α-Syn interactions and affects protein aggregation in a cellular model of synucleinopathy.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16252","16267","10.1039/d0dt01138j","","x-ray","0.71073","MoKα","","0.0815","0.0493","","","0.0919","0.1077","","","","","","1.047","","","","has coordinates","288221","2023-12-11","22:20:44",""
"7704358","11.7759","0.0002","12.0484","0.0002","13.1386","0.0002","100.481","0.001","106.242","0.001","117.299","0.001","1481.55","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H48 O2 P2 Ru -","- C31 H48 O2 P2 Ru -","- C62 H96 O4 P4 Ru2 -","2","1","","Wiedmaier, Nicholas R.; Speth, Hansjörg; Leistikow, Georg; Eichele, Klaus; Schubert, Hartmut; Mayer, Hermann A.; Wesemann, Lars","Conformation controlled stepwise hydride shuffling from the metal to the ligand backbone.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7218","7227","10.1039/d0dt01431a","","","0.71073","MoKα","","0.0239","0.0201","","","0.0473","0.0488","","","","","","1.039","","","","has coordinates","252832","2020-10-21","18:00:00",""
"7704359","12.9706","0.0003","16.5597","0.0003","31.8663","0.0007","90","","99.524","0.001","90","","6750.2","0.2","99","2","99","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31.5 H31.5 B0.5 Cl0 F12 O P Ru0.5 -","- C31.5 H31.5 B0.5 F12 O P Ru0.5 -","- C252 H252 B4 F96 O8 P8 Ru4 -","8","2","","Wiedmaier, Nicholas R.; Speth, Hansjörg; Leistikow, Georg; Eichele, Klaus; Schubert, Hartmut; Mayer, Hermann A.; Wesemann, Lars","Conformation controlled stepwise hydride shuffling from the metal to the ligand backbone.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7218","7227","10.1039/d0dt01431a","","","0.71073","MoKα","","0.0532","0.0418","","","0.1026","0.1098","","","","","","1.028","","","","has coordinates,has disorder","252832","2020-10-21","18:00:00",""
"7704360","10.5466","0.0008","11.631","0.0008","27.2772","0.0019","90","","98.329","0.003","90","","3310.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H56 O2.5 P2 Ru -","- C33 H56 O2.5 P2 Ru -","- C132 H224 O10 P8 Ru4 -","4","1","","Wiedmaier, Nicholas R.; Speth, Hansjörg; Leistikow, Georg; Eichele, Klaus; Schubert, Hartmut; Mayer, Hermann A.; Wesemann, Lars","Conformation controlled stepwise hydride shuffling from the metal to the ligand backbone.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7218","7227","10.1039/d0dt01431a","","","0.71073","MoKα","","0.0297","0.0251","","","0.0564","0.0584","","","","","","1.026","","","","has coordinates,has disorder","252832","2020-10-21","18:00:00",""
"7704361","11.911","0.0003","12.8598","0.0003","23.657","0.0005","90","","98.835","0.001","90","","3580.62","0.14","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H51 B Cl2 F4 O2 P2 Ru -","- C32 H51 B Cl2 F4 O2 P2 Ru -","- C128 H204 B4 Cl8 F16 O8 P8 Ru4 -","4","1","","Wiedmaier, Nicholas R.; Speth, Hansjörg; Leistikow, Georg; Eichele, Klaus; Schubert, Hartmut; Mayer, Hermann A.; Wesemann, Lars","Conformation controlled stepwise hydride shuffling from the metal to the ligand backbone.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7218","7227","10.1039/d0dt01431a","","","0.71073","MoKα","","0.038","0.036","","","0.0766","0.0775","","","","","","1.253","","","","has coordinates,has disorder","252832","2020-10-21","18:00:00",""
"7704362","13.075","0.014","7.672","0.008","17.79","0.02","90","","98.93","0.03","90","","1763","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Cl0.67 Cu0.33 H Li0.67 O2.17 Se0.67 -","- Cl0.666667 Cu0.333333 H Li0.666667 O2.16667 Se0.666667 -","- Cl16 Cu8 H24 Li16 O52 Se16 -","24","3","","Markovski, Mishel R.; Siidra, Oleg I.; Charkin, Dmitri O.; Vladimirova, Victoria A.; Tsirlin, Alexander A.; Grishaev, Vasili Yu","Li<sub>2</sub>(Se<sub>2</sub>O<sub>5</sub>)(H<sub>2</sub>O)<sub>1.5</sub>·CuCl<sub>2</sub>, a salt-inclusion diselenite structurally based on tetranuclear Li<sub>4</sub> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7790","7795","10.1039/d0dt01260b","","","0.71073","MoKα","","0.0527","0.0329","","","0.0655","0.0733","","","","","","1.015","","","","has coordinates","253913","2020-10-21","18:00:00",""
"7704363","11.3259","0.0008","13.2252","0.0009","14.6526","0.0013","67.349","0.007","76.175","0.007","65.591","0.007","1836.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H31 Co N5 O8 -","- C44 H31 Co N5 O8 -","- C88 H62 Co2 N10 O16 -","2","1","","Gu, Jin-Zhong; Wan, Shi-Mao; Kirillova, Marina V.; Kirillov, Alexander M.","H-Bonded and metal(ii)-organic architectures assembled from an unexplored aromatic tricarboxylic acid: structural variety and functional properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7197","7209","10.1039/d0dt01261k","","","0.71073","MoKα","","0.0946","0.0582","","","0.1121","0.1339","","","","","","1.05","","","","has coordinates","252842","2020-10-21","18:00:00",""
"7704364","9.0097","0.0004","12.2876","0.0005","14.01","0.0007","98.691","0.004","103.242","0.004","94.766","0.003","1481.23","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H58 N6 O22 Zn2 -","- C60 H58 N6 O22 Zn2 -","- C60 H58 N6 O22 Zn2 -","1","0.5","","Gu, Jin-Zhong; Wan, Shi-Mao; Kirillova, Marina V.; Kirillov, Alexander M.","H-Bonded and metal(ii)-organic architectures assembled from an unexplored aromatic tricarboxylic acid: structural variety and functional properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7197","7209","10.1039/d0dt01261k","","","1.54178","CuKα","","0.0382","0.034","","","0.0972","0.1015","","","","","","1.053","","","","has coordinates","252842","2020-10-21","18:00:00",""
"7704365","6.1632","0.0004","12.265","0.0007","24.6163","0.0017","95.914","0.005","93.921","0.005","101.777","0.005","1804.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H66 N8 Ni2 O16 -","- C88 H62 N8 Ni2 O16 -","- C88 H62 N8 Ni2 O16 -","1","0.5","","Gu, Jin-Zhong; Wan, Shi-Mao; Kirillova, Marina V.; Kirillov, Alexander M.","H-Bonded and metal(ii)-organic architectures assembled from an unexplored aromatic tricarboxylic acid: structural variety and functional properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7197","7209","10.1039/d0dt01261k","","","1.54178","CuKα","","0.1112","0.0736","","","0.1989","0.2336","","","","","","1.064","","","","has coordinates","252842","2020-10-21","18:00:00",""
"7704366","6.9066","0.0008","9.3698","0.0008","14.8244","0.0009","74.751","0.006","85.796","0.007","82.493","0.008","916.87","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 Fe N O8 -","- C20 H13 Fe N O8 -","- C40 H26 Fe2 N2 O16 -","2","1","","Gu, Jin-Zhong; Wan, Shi-Mao; Kirillova, Marina V.; Kirillov, Alexander M.","H-Bonded and metal(ii)-organic architectures assembled from an unexplored aromatic tricarboxylic acid: structural variety and functional properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7197","7209","10.1039/d0dt01261k","","","0.71073","MoKα","","0.0562","0.0418","","","0.0967","0.1093","","","","","","1.032","","","","has coordinates","252842","2020-10-21","18:00:00",""
"7704367","6.9985","0.0006","9.2423","0.0013","21.235","0.002","91.236","0.01","91.092","0.008","105.276","0.01","1324.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 Co N3 O9 -","- C30 H25 Co N3 O9 -","- C60 H50 Co2 N6 O18 -","2","1","","Gu, Jin-Zhong; Wan, Shi-Mao; Kirillova, Marina V.; Kirillov, Alexander M.","H-Bonded and metal(ii)-organic architectures assembled from an unexplored aromatic tricarboxylic acid: structural variety and functional properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7197","7209","10.1039/d0dt01261k","","","0.71073","MoKα","","0.173","0.0868","","","0.1597","0.2158","","","","","","1.022","","","","has coordinates","252842","2020-10-21","18:00:00",""
"7704368","9.1466","0.0007","9.5909","0.0007","13.2159","0.001","84.013","0.006","78.778","0.007","77.986","0.007","1109.82","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H17 N5 O6 Zn -","- C26 H17 N5 O6 Zn -","- C52 H34 N10 O12 Zn2 -","2","1","","Gu, Jin-Zhong; Wan, Shi-Mao; Kirillova, Marina V.; Kirillov, Alexander M.","H-Bonded and metal(ii)-organic architectures assembled from an unexplored aromatic tricarboxylic acid: structural variety and functional properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7197","7209","10.1039/d0dt01261k","","","1.54178","CuKα","","0.0333","0.0286","","","0.0724","0.076","","","","","","1.05","","","","has coordinates","252842","2020-10-21","18:00:00",""
"7704369","17.6863","0.0004","17.2313","0.0003","18.248","0.0003","90","","108.186","0.002","90","","5283.43","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H19 N3 O6 Zn -","- C32 H19 N3 O6 Zn -","- C256 H152 N24 O48 Zn8 -","8","2","","Gu, Jin-Zhong; Wan, Shi-Mao; Kirillova, Marina V.; Kirillov, Alexander M.","H-Bonded and metal(ii)-organic architectures assembled from an unexplored aromatic tricarboxylic acid: structural variety and functional properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7197","7209","10.1039/d0dt01261k","","","1.54178","CuKα","","0.0627","0.0486","","","0.1338","0.1515","","","","","","1.024","","","","has coordinates","252842","2020-10-21","18:00:00",""
"7704370","11.3784","0.0007","13.1996","0.0008","14.5453","0.0009","67.404","0.006","76.097","0.005","65.856","0.006","1831.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H31 N5 Ni O8 -","- C44 H31 N5 Ni O8 -","- C88 H62 N10 Ni2 O16 -","2","1","","Gu, Jin-Zhong; Wan, Shi-Mao; Kirillova, Marina V.; Kirillov, Alexander M.","H-Bonded and metal(ii)-organic architectures assembled from an unexplored aromatic tricarboxylic acid: structural variety and functional properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7197","7209","10.1039/d0dt01261k","","","1.54178","CuKα","","0.0555","0.0388","","","0.094","0.1054","","","","","","1.018","","","","has coordinates","252842","2020-10-21","18:00:00",""
"7704371","9.4017","0.0013","10.8041","0.0018","14.535","0.0016","105.013","0.012","99.708","0.011","107.961","0.014","1306","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H44 Mn3 N6 O16 -","- C60 H40 Mn3 N6 O16 -","- C60 H40 Mn3 N6 O16 -","1","0.5","","Gu, Jin-Zhong; Wan, Shi-Mao; Kirillova, Marina V.; Kirillov, Alexander M.","H-Bonded and metal(ii)-organic architectures assembled from an unexplored aromatic tricarboxylic acid: structural variety and functional properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7197","7209","10.1039/d0dt01261k","","","1.54184","CuKα","","0.0926","0.0826","","","0.207","0.2285","","","","","","1.001","","","","has coordinates","252842","2020-10-21","18:00:00",""
"7704372","24.901","0.005","24.48","0.005","26.342","0.005","90","","90","","90","","16057","6","193.15","","193.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C172 H128 Ag4 Cl4 N2 O P4 Pt4 -","- C172 H128 Ag4 Cl4 N2 O P4 Pt4 -","- C688 H512 Ag16 Cl16 N8 O4 P16 Pt16 -","4","0.5","","Han, Li-Jing; Wu, Xiu-Xin; Ma, Zheng-Gen; Li, Yi; Wei, Qiao-Hua","Novel luminescent homo/heterometallic platinum(ii) alkynyl complexes based on Y-shaped pyridyl diphosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8347","8353","10.1039/d0dt01173h","","","0.71073","MoKα","","0.0628","0.0618","","","0.1657","0.1664","","","","","","1.185","","","","has coordinates,has disorder","253861","2020-10-21","18:00:00",""
"7704373","18.249","0.004","14.605","0.003","27.333","0.006","90","","91.31","0.03","90","","7283","3","77","2","77","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C179 H140 Ag4 Cl2 N2 P4 Pt4 -","- C179 H140 Ag4 Cl2 N2 P4 Pt4 -","- C358 H280 Ag8 Cl4 N4 P8 Pt8 -","2","0.5","","Han, Li-Jing; Wu, Xiu-Xin; Ma, Zheng-Gen; Li, Yi; Wei, Qiao-Hua","Novel luminescent homo/heterometallic platinum(ii) alkynyl complexes based on Y-shaped pyridyl diphosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8347","8353","10.1039/d0dt01173h","","","0.72","synchrotron","","0.0494","0.0484","","","0.1449","0.1451","","","","","","1.143","","","","has coordinates","253861","2020-10-21","18:00:00",""
"7704374","23.599","0.005","37.492","0.007","19.73","0.004","90","","90","","90","","17457","6","193","2","193","2","","","","","","","","8","P n n a","-P 2a 2bc","52","","","","- C208 H148 Cl4 Cu0 N4 O2 P8 Pt4 -","- C208 H148 Cl4 N4 O2 P8 Pt4 -","- C832 H592 Cl16 N16 O8 P32 Pt16 -","4","0.5","","Han, Li-Jing; Wu, Xiu-Xin; Ma, Zheng-Gen; Li, Yi; Wei, Qiao-Hua","Novel luminescent homo/heterometallic platinum(ii) alkynyl complexes based on Y-shaped pyridyl diphosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8347","8353","10.1039/d0dt01173h","","","0.72","synchrotron","","0.0685","0.0627","","","0.1729","0.1762","","","","","","1.077","","","","has coordinates","253861","2020-10-21","18:00:00",""
"7704375","32.222","0.006","16.172","0.003","20.802","0.004","90","","92.77","0.03","90","","10827","4","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C123 H112 Au0 Cl2 N4 O0 P4 Pt2 -","- C123 H112 Cl2 N4 P4 Pt2 -","- C492 H448 Cl8 N16 P16 Pt8 -","4","0.5","","Han, Li-Jing; Wu, Xiu-Xin; Ma, Zheng-Gen; Li, Yi; Wei, Qiao-Hua","Novel luminescent homo/heterometallic platinum(ii) alkynyl complexes based on Y-shaped pyridyl diphosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8347","8353","10.1039/d0dt01173h","","","0.72","synchrotron","","0.0382","0.0375","","","0.1068","0.1081","","","","","","1.056","","","","has coordinates","253861","2020-10-21","18:00:00",""
"7704376","11.1122","0.001","17.1592","0.0017","18.425","0.002","90","","100.195","0.004","90","","3457.7","0.6","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H43 Co N2 O5 -","- C33 H43 Co N2 O5 -","- C132 H172 Co4 N8 O20 -","4","1","","Yadav, Ravi; Hossain, Md Elius; Peedika Paramban, Ramees; Simler, Thomas; Schoo, Christoph; Wang, Jun; Deacon, Glen B.; Junk, Peter C.; Roesky, Peter W.","3d-4f heterometallic complexes by the reduction of transition metal carbonyls with bulky Ln<sup>II</sup> amidinates.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7701","7707","10.1039/d0dt01271h","","","0.71073","MoKα","","0.1341","0.0675","","","0.1845","0.2308","","","","","","0.944","","","","has coordinates","253911","2020-10-21","18:00:00",""
"7704377","11.942","0.002","24.391","0.005","18.91","0.004","90","","96.75","0.03","90","","5469.9","1.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C116 H156 Co2 N8 O10 Sm2 -","- C116 H156 Co2 N8 O10 Sm2 -","- C232 H312 Co4 N16 O20 Sm4 -","2","0.5","","Yadav, Ravi; Hossain, Md Elius; Peedika Paramban, Ramees; Simler, Thomas; Schoo, Christoph; Wang, Jun; Deacon, Glen B.; Junk, Peter C.; Roesky, Peter W.","3d-4f heterometallic complexes by the reduction of transition metal carbonyls with bulky Ln<sup>II</sup> amidinates.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7701","7707","10.1039/d0dt01271h","","","0.71073","MoKα","","0.0533","0.039","","","0.0927","0.1008","","","","","","1.04","","","","has coordinates","253911","2020-10-21","18:00:00",""
"7704378","12.205","0.002","14.11","0.003","18.032","0.004","82.87","0.03","77.96","0.03","68.54","0.03","2822.6","1.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H78 Co N4 O5 Yb -","- C58 H78 Co N4 O5 Yb -","- C116 H156 Co2 N8 O10 Yb2 -","2","1","","Yadav, Ravi; Hossain, Md Elius; Peedika Paramban, Ramees; Simler, Thomas; Schoo, Christoph; Wang, Jun; Deacon, Glen B.; Junk, Peter C.; Roesky, Peter W.","3d-4f heterometallic complexes by the reduction of transition metal carbonyls with bulky Ln<sup>II</sup> amidinates.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7701","7707","10.1039/d0dt01271h","","","0.71073","MoKα","","0.0378","0.0258","","","0.0526","0.0549","","","","","","0.968","","","","has coordinates","253911","2020-10-21","18:00:00",""
"7704379","17.4276","0.0004","20.8564","0.0003","18.053","0.0004","90","","93.692","0.002","90","","6548.2","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C139 H172 Fe3 N8 O11 Sm2 -","- C139 H172 Fe3 N8 O11 Sm2 -","- C278 H344 Fe6 N16 O22 Sm4 -","2","0.5","","Yadav, Ravi; Hossain, Md Elius; Peedika Paramban, Ramees; Simler, Thomas; Schoo, Christoph; Wang, Jun; Deacon, Glen B.; Junk, Peter C.; Roesky, Peter W.","3d-4f heterometallic complexes by the reduction of transition metal carbonyls with bulky Ln<sup>II</sup> amidinates.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7701","7707","10.1039/d0dt01271h","","","0.71073","MoKα","","0.0418","0.0349","","","0.0942","0.0971","","","","","","1.053","","","","has coordinates,has disorder","253911","2020-10-21","18:00:00",""
"7704380","12.0983","0.00017","12.74775","0.00018","20.3042","0.0003","106.157","0.0012","100.57","0.0012","91.9771","0.0011","2944.55","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H39 B F24 N5 Rh -","- C63 H39 B F24 N5 Rh -","- C126 H78 B2 F48 N10 Rh2 -","2","1","","Gyton, Matthew R.; Kynman, Amy E.; Leforestier, Baptiste; Gallo, Angelo; Lewandowski, Józef R; Chaplin, Adrian B.","Isolation and structural characterisation of rhodium(iii) η<sup>2</sup>-fluoroarene complexes: experimental verification of predicted regioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5791","5793","10.1039/d0dt01137a","","x-ray","1.54184","CuKα","","0.0331","0.0309","","","0.0789","0.0804","","","","","","1.051","","","","has coordinates,has disorder","252009","2020-10-21","18:00:00",""
"7704381","11.99374","0.00014","12.79924","0.00016","20.3888","0.0002","106.139","0.0011","100.402","0.001","91.6652","0.001","2946.72","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H37 B F26 N5 Rh -","- C63 H37 B F26 N5 Rh -","- C126 H74 B2 F52 N10 Rh2 -","2","1","","Gyton, Matthew R.; Kynman, Amy E.; Leforestier, Baptiste; Gallo, Angelo; Lewandowski, Józef R; Chaplin, Adrian B.","Isolation and structural characterisation of rhodium(iii) η<sup>2</sup>-fluoroarene complexes: experimental verification of predicted regioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5791","5793","10.1039/d0dt01137a","","x-ray","1.54184","CuKα","","0.0324","0.0303","","","0.0768","0.0776","","","","","","1.043","","","","has coordinates,has disorder","252009","2020-10-21","18:00:00",""
"7704382","12.68561","0.00011","27.25348","0.00015","18.40461","0.00013","90","","106.875","0.0008","90","","6088.98","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H37 B F26 N5 Rh -","- C63 H37 B F26 N5 Rh -","- C252 H148 B4 F104 N20 Rh4 -","4","1","","Gyton, Matthew R.; Kynman, Amy E.; Leforestier, Baptiste; Gallo, Angelo; Lewandowski, Józef R; Chaplin, Adrian B.","Isolation and structural characterisation of rhodium(iii) η<sup>2</sup>-fluoroarene complexes: experimental verification of predicted regioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5791","5793","10.1039/d0dt01137a","","x-ray","1.54184","CuKα","","0.0535","0.0494","","","0.1207","0.1234","","","","","","1.038","","","","has coordinates,has disorder","252009","2020-10-21","18:00:00",""
"7704383","12.8386","0.0003","13.1411","0.0003","18.6851","0.0004","107.313","0.0018","99.054","0.0018","97.382","0.0017","2920.26","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H35 B Cl2 F24 N5 Rh -","- C58 H35 B Cl2 F24 N5 Rh -","- C116 H70 B2 Cl4 F48 N10 Rh2 -","2","1","","Gyton, Matthew R.; Kynman, Amy E.; Leforestier, Baptiste; Gallo, Angelo; Lewandowski, Józef R; Chaplin, Adrian B.","Isolation and structural characterisation of rhodium(iii) η<sup>2</sup>-fluoroarene complexes: experimental verification of predicted regioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5791","5793","10.1039/d0dt01137a","","x-ray","0.71073","MoKα","","0.0508","0.043","","","0.0964","0.1017","","","","","","1.017","","","","has coordinates,has disorder","252009","2020-10-21","18:00:00",""
"7704384","12.0141","0.0002","12.6951","0.0003","20.5019","0.0004","106.123","0.0018","99.7261","0.0017","91.3253","0.0016","2952.67","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H37 B F26 N5 Rh -","- C63 H37 B F26 N5 Rh -","- C126 H74 B2 F52 N10 Rh2 -","2","1","","Gyton, Matthew R.; Kynman, Amy E.; Leforestier, Baptiste; Gallo, Angelo; Lewandowski, Józef R; Chaplin, Adrian B.","Isolation and structural characterisation of rhodium(iii) η<sup>2</sup>-fluoroarene complexes: experimental verification of predicted regioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5791","5793","10.1039/d0dt01137a","","x-ray","1.54184","CuKα","","0.0323","0.0311","","","0.0787","0.0794","","","","","","1.014","","","","has coordinates,has disorder","252009","2020-10-21","18:00:00",""
"7704385","12.05682","0.00013","12.73132","0.00013","20.3856","0.0002","106.163","0.0009","100.195","0.0009","91.666","0.0009","2947.87","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H38 B F25 N5 Rh -","- C63 H38 B F25 N5 Rh -","- C126 H76 B2 F50 N10 Rh2 -","2","1","","Gyton, Matthew R.; Kynman, Amy E.; Leforestier, Baptiste; Gallo, Angelo; Lewandowski, Józef R; Chaplin, Adrian B.","Isolation and structural characterisation of rhodium(iii) η<sup>2</sup>-fluoroarene complexes: experimental verification of predicted regioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5791","5793","10.1039/d0dt01137a","","x-ray","1.54184","CuKα","","0.0358","0.0318","","","0.0814","0.0825","","","","","","1.04","","","","has coordinates,has disorder","252009","2020-10-21","18:00:00",""
"7704386","12.7592","0.0015","13.6618","0.0017","18.171","0.002","107.544","0.002","105.251","0.002","98.746","0.002","2820.1","0.6","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H65 N9 O4 S6 Zn -","- C56 H65 N9 O4 S6 Zn -","- C112 H130 N18 O8 S12 Zn2 -","2","1","","Ballesteros Ii, Moises; Tsui, Emily Y.","Sulfur transfer reactions of a zinc tetrasulfanido complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16305","16311","10.1039/d0dt01384f","","","0.71073","MoKα","","0.0598","0.043","","","0.1102","0.1205","","","","","","1.033","","","","has coordinates","260779","2021-01-07","06:28:52",""
"7704387","8.8573","0.001","9.1035","0.001","25.109","0.003","80.268","0.002","86.33","0.002","61.618","0.001","1755.3","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H52 N2 O8 S4 Zn -","- C28 H52 N2 O8 S4 Zn -","- C56 H104 N4 O16 S8 Zn2 -","2","1","","Ballesteros Ii, Moises; Tsui, Emily Y.","Sulfur transfer reactions of a zinc tetrasulfanido complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16305","16311","10.1039/d0dt01384f","","","0.71073","MoKα","","0.0233","0.0207","","","0.0517","0.0531","","","","","","1.024","","","","has coordinates","260779","2021-01-07","06:28:52",""
"7704388","11.127","0.0008","16.8656","0.0012","13.2685","0.0009","90","","112.292","0.002","90","","2303.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 La O15 -","- C23 H17 La O15 -","- C92 H68 La4 O60 -","4","1","","Yang, Dongdong; Lu, Liping; Feng, Sisi; Zhu, Miaoli","First Ln-MOF as a trifunctional luminescent probe for the efficient sensing of aspartic acid, Fe<sup>3+</sup> and DMSO.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7514","7524","10.1039/d0dt00938e","","","0.71073","MoKα","","0.078","0.0473","","","0.0899","0.0999","","","","","","1.04","","","","has coordinates","253887","2020-10-21","18:00:00",""
"7704389","11.0093","0.0006","16.7313","0.0009","13.0739","0.0008","90","","112.039","0.0014","90","","2232.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Eu O15 -","- C23 H17 Eu O15 -","- C92 H68 Eu4 O60 -","4","1","","Yang, Dongdong; Lu, Liping; Feng, Sisi; Zhu, Miaoli","First Ln-MOF as a trifunctional luminescent probe for the efficient sensing of aspartic acid, Fe<sup>3+</sup> and DMSO.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7514","7524","10.1039/d0dt00938e","","","0.71073","MoKα","","0.0765","0.044","","","0.062","0.07","","","","","","1.014","","","","has coordinates","253887","2020-10-21","18:00:00",""
"7704390","11.0859","0.0009","16.7946","0.0011","13.1735","0.001","90","","112.126","0.0019","90","","2272.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Nd O15 -","- C23 H17 Nd O15 -","- C92 H68 Nd4 O60 -","4","1","","Yang, Dongdong; Lu, Liping; Feng, Sisi; Zhu, Miaoli","First Ln-MOF as a trifunctional luminescent probe for the efficient sensing of aspartic acid, Fe<sup>3+</sup> and DMSO.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7514","7524","10.1039/d0dt00938e","","","0.71073","MoKα","","0.0886","0.0489","","","0.0863","0.1278","","","","","","1.014","","","","has coordinates","253887","2020-10-21","18:00:00",""
"7704391","11.0358","0.0008","16.7709","0.0011","13.1223","0.0009","90","","112.047","0.0017","90","","2251.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 O15 Sm -","- C23 H17 O15 Sm -","- C92 H68 O60 Sm4 -","4","1","","Yang, Dongdong; Lu, Liping; Feng, Sisi; Zhu, Miaoli","First Ln-MOF as a trifunctional luminescent probe for the efficient sensing of aspartic acid, Fe<sup>3+</sup> and DMSO.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7514","7524","10.1039/d0dt00938e","","","0.71073","MoKα","","0.0776","0.0424","","","0.0673","0.077","","","","","","0.982","","","","has coordinates","253887","2020-10-21","18:00:00",""
"7704392","10.9945","0.0007","16.7248","0.0011","13.0563","0.0008","90","","112.027","0.001","90","","2225.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 O15 Tb -","- C23 H17 O15 Tb -","- C92 H68 O60 Tb4 -","4","1","","Yang, Dongdong; Lu, Liping; Feng, Sisi; Zhu, Miaoli","First Ln-MOF as a trifunctional luminescent probe for the efficient sensing of aspartic acid, Fe<sup>3+</sup> and DMSO.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7514","7524","10.1039/d0dt00938e","","","0.71073","MoKα","","0.0772","0.0412","","","0.0584","0.0722","","","","","","1.05","","","","has coordinates","253887","2020-10-21","18:00:00",""
"7704393","4.15427","0.00003","4.15427","0.00003","9.2183","0.0001","90","","90","","90","","159.089","0.002","293","","293","","","","100","","","","solid state reaction","4","P 4/n m m :2","-P 4a 2a","129","EuAgSeF","EuAgSeF","","- Ag Eu F Se -","- Ag Eu F Se -","- Ag2 Eu2 F2 Se2 -","2","0.125","","Plokhikh, Igor V.; Tsirlin, Alexander A.; Heletta, Lukas; Klenner, Steffen; Charkin, Dmitri O.; Kuznetsov, Alexey N.; Shevelkov, Andrei V.; Pöttgen, Rainer; Pfitzner, Arno","Synthesis, electronic structure and physical properties of two new layered compounds, EuFAgSe and EuFAg<sub>1-δ</sub>Te, featuring the active redox pair Eu<sup>2+</sup>/Ag<sup/>.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7426","7435","10.1039/d0dt01504k","powder diffraction","x-ray","0.7093","MoKα~1~","","0.0276","0.0219","","0.0253","0.0241","","","","2.04","","","","","","","has coordinates","253871","2020-10-21","18:00:00",""
"7704394","4.32552","0.00004","4.32552","0.00004","9.54858","0.00011","90","","90","","90","","178.655","0.003","293","","293","","","","100","","","","solid state reaction","4","P 4/n m m :1","P 4ab 2ab -1ab","129","EuAgTeF","EuAgTeF","","- Ag0.948 Eu F Te -","- Ag0.948 Eu F Te -","- Ag1.896 Eu2 F2 Te2 -","2","0.125","","Plokhikh, Igor V.; Tsirlin, Alexander A.; Heletta, Lukas; Klenner, Steffen; Charkin, Dmitri O.; Kuznetsov, Alexey N.; Shevelkov, Andrei V.; Pöttgen, Rainer; Pfitzner, Arno","Synthesis, electronic structure and physical properties of two new layered compounds, EuFAgSe and EuFAg<sub>1-δ</sub>Te, featuring the active redox pair Eu<sup>2+</sup>/Ag<sup/>.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7426","7435","10.1039/d0dt01504k","powder diffraction","x-ray","0.7093","MoKα~1~","","0.0226","0.0195","","0.0227","0.0219","","","","1.6","","","","","","","has coordinates","253871","2020-10-21","18:00:00",""
"7704395","24.9627","0.0011","24.9627","0.0011","20.5795","0.0011","90","","90","","120","","11105.8","0.9","293.15","","293.15","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C84 H60 Fe3 N6 -","- C84 H60 Fe3 N6 -","- C504 H360 Fe18 N36 -","6","0.333333","","Kasprzak, Artur; Guńka, Piotr A","A ferrocene-templated Pd-bearing molecular reactor.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6974","6979","10.1039/d0dt01366h","","x-ray","0.71073","MoKα","","0.0854","0.0467","","","0.0982","0.1154","","","","","","0.964","","","","has coordinates","252824","2020-10-21","18:00:00",""
"7704396","7.3908","0.0003","7.3908","0.0003","7.5568","0.0003","90","","90","","120","","357.48","0.02","296","","296","","","","","","","","","4","P 63/m","-P 6c","176","","","","- F16 Fe3.28 O2.6 V2.72 -","- F16 Fe3.276 O2.60004 V2.724 -","- F16 Fe3.276 O2.60004 V2.724 -","1","0.0833333","","Lemoine, Kévin; Moury, Romain; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Tarascon, Jean-Marie; Maisonneuve, Vincent","Stabilization of a mixed iron vanadium based hexagonal tungsten bronze hydroxyfluoride HTB-(Fe<sub>0.55</sub>V<sub>0.45</sub>)F<sub>2.67</sub>(OH)<sub>0.33</sub> as a positive electrode for lithium-ion batteries.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8186","8193","10.1039/d0dt01310b","powder diffraction","","1.78901","CoKα","","","","","","","","","8.6297","1.3557","","","","","","","has coordinates","253869","2020-10-21","18:00:00",""
"7704397","7.5835","0.0003","7.4814","0.0003","7.5269","0.0003","90","","119.925","0.003","90","","370.11","0.03","296","","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- F8 Fe1.64 O2 V1.36 -","- F8 Fe1.64 O2 V1.36 -","- F16 Fe3.28 O4 V2.72 -","2","0.25","","Lemoine, Kévin; Moury, Romain; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Tarascon, Jean-Marie; Maisonneuve, Vincent","Stabilization of a mixed iron vanadium based hexagonal tungsten bronze hydroxyfluoride HTB-(Fe<sub>0.55</sub>V<sub>0.45</sub>)F<sub>2.67</sub>(OH)<sub>0.33</sub> as a positive electrode for lithium-ion batteries.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8186","8193","10.1039/d0dt01310b","powder diffraction","","1.5406","CuKα","","","","","","","","","3.9346","1.4751","","","","","","","has coordinates","253869","2020-10-21","18:00:00",""
"7704398","33.692","0.0004","10.7045","0.0001","16.4568","0.0002","90","","92.674","0.001","90","","5928.78","0.12","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 F18 Fe2 O19.5 Zn -","- C12 H8 F18 Fe2 O19.5 Zn -","- C96 H64 F144 Fe16 O156 Zn8 -","8","1","","Sanchez-Lievanos, Karla R; Tariq, Mehrin; Brennessel, William W.; Knowles, Kathryn E.","Heterometallic trinuclear oxo-centered clusters as single-source precursors for synthesis of stoichiometric monodisperse transition metal ferrite nanocrystals.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16348","16358","10.1039/d0dt01369b","","x-ray","1.54184","CuKα","","0.0528","0.0511","","","0.1353","0.1371","","","","","","1.019","","","","has coordinates,has disorder","260778","2021-01-07","06:28:29",""
"7704399","10.5655","0.0001","11.5802","0.0002","19.9032","0.0001","92.634","0.001","97.241","0.001","111.913","0.001","2229.74","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32 F18 Fe2 Ni O21 -","- C24 H32 F18 Fe2.001 Ni0.999 O21 -","- C48 H64 F36 Fe4.002 Ni1.998 O42 -","2","1","","Sanchez-Lievanos, Karla R; Tariq, Mehrin; Brennessel, William W.; Knowles, Kathryn E.","Heterometallic trinuclear oxo-centered clusters as single-source precursors for synthesis of stoichiometric monodisperse transition metal ferrite nanocrystals.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16348","16358","10.1039/d0dt01369b","","x-ray","1.54184","CuKα","","0.0571","0.0522","","","0.1404","0.1444","","","","","","1.053","","","","has coordinates,has disorder","260778","2021-01-07","06:28:32",""
"7704400","33.7504","0.0003","10.7155","0.0001","16.4299","0.0002","90","","92.853","0.001","90","","5934.55","0.11","99.97","0.1","99.97","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 F18 Fe3 O19.5 -","- C12 H8 F18 Fe3 O19.5 -","- C96 H64 F144 Fe24 O156 -","8","1","","Sanchez-Lievanos, Karla R; Tariq, Mehrin; Brennessel, William W.; Knowles, Kathryn E.","Heterometallic trinuclear oxo-centered clusters as single-source precursors for synthesis of stoichiometric monodisperse transition metal ferrite nanocrystals.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16348","16358","10.1039/d0dt01369b","","x-ray","1.54184","CuKα","","0.0503","0.0477","","","0.1325","0.1347","","","","","","1.079","","","","has coordinates,has disorder","260778","2021-01-07","06:28:32",""
"7704401","33.6407","0.0008","10.6483","0.0003","16.528","0.0004","90","","93.306","0.002","90","","5910.7","0.3","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 Cu F18 Fe2 O19.5 -","- C12.001 H8 Cu F18.003 Fe2 O19.5005 -","- C96.008 H64 Cu8 F144.024 Fe16 O156.004 -","8","1","","Sanchez-Lievanos, Karla R; Tariq, Mehrin; Brennessel, William W.; Knowles, Kathryn E.","Heterometallic trinuclear oxo-centered clusters as single-source precursors for synthesis of stoichiometric monodisperse transition metal ferrite nanocrystals.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16348","16358","10.1039/d0dt01369b","","x-ray","0.71073","MoKα","","0.0516","0.0448","","","0.0934","0.0957","","","","","","1.15","","","","has coordinates,has disorder","260778","2021-01-07","06:28:42",""
"7704402","33.6911","0.0003","10.7211","0.0002","16.4167","0.0002","90","","92.606","0.001","90","","5923.67","0.14","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 Co F18 Fe2 O19.5 -","- C12 H8 Co F18 Fe2 O19.5005 -","- C96 H64 Co8 F144 Fe16 O156.004 -","8","1","","Sanchez-Lievanos, Karla R; Tariq, Mehrin; Brennessel, William W.; Knowles, Kathryn E.","Heterometallic trinuclear oxo-centered clusters as single-source precursors for synthesis of stoichiometric monodisperse transition metal ferrite nanocrystals.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16348","16358","10.1039/d0dt01369b","","x-ray","1.54184","CuKα","","0.0561","0.0545","","","0.1499","0.1516","","","","","","1.06","","","","has coordinates,has disorder","260778","2021-01-07","06:28:44",""
"7704403","15.182","0.003","20.962","0.004","13.078","0.003","90","","92.72","0.013","90","","4157.3","1.5","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H49 Li N8 O8 -","- C48 H49 Li N8 O8 -","- C192 H196 Li4 N32 O32 -","4","1","","Peterson, Madeline; Hunt, Camden; Wang, Zongheng; Heinrich, Shannon E.; Wu, Guang; Ménard, Gabriel","Synthesis, characterization, and electrochemical properties of a first-row metal phthalocyanine series.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16268","16277","10.1039/d0dt01372b","","","0.71073","MoKα","","0.2038","0.0741","","","0.1245","0.1746","","","","","","0.9833","","","","has coordinates","260776","2021-01-07","06:28:06",""
"7704404","21.508","0.003","24.769","0.004","9.0646","0.0014","90","","110.69","0.009","90","","4517.6","1.2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H54 Fe N8 O8 -","- C54 H48 Fe N8 O8 -","- C216 H192 Fe4 N32 O32 -","4","0.5","","Peterson, Madeline; Hunt, Camden; Wang, Zongheng; Heinrich, Shannon E.; Wu, Guang; Ménard, Gabriel","Synthesis, characterization, and electrochemical properties of a first-row metal phthalocyanine series.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16268","16277","10.1039/d0dt01372b","","","0.71073","MoKα","","0.0887","0.0539","","","0.1284","0.1458","","","","","","1.04","","","","has coordinates,has disorder","260776","2021-01-07","06:28:06",""
"7704405","15.1518","0.0016","20.927","0.002","13.0887","0.0013","90","","92.599","0.007","90","","4145.9","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 N8 O8 -","- C48 H50 N8 O8 -","- C192 H200 N32 O32 -","4","1","","Peterson, Madeline; Hunt, Camden; Wang, Zongheng; Heinrich, Shannon E.; Wu, Guang; Ménard, Gabriel","Synthesis, characterization, and electrochemical properties of a first-row metal phthalocyanine series.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16268","16277","10.1039/d0dt01372b","","","0.71073","MoKα","","0.1647","0.057","","","0.1089","0.1342","","","","","","0.835","","","","has coordinates,has disorder","260776","2021-01-07","06:28:06",""
"7704406","12.439","0.005","29.787","0.011","13.837","0.005","90","","100.338","0.009","90","","5044","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Fe N8 O8 -","- C60 H60 Fe N8 O8 -","- C240 H240 Fe4 N32 O32 -","4","0.5","","Peterson, Madeline; Hunt, Camden; Wang, Zongheng; Heinrich, Shannon E.; Wu, Guang; Ménard, Gabriel","Synthesis, characterization, and electrochemical properties of a first-row metal phthalocyanine series.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16268","16277","10.1039/d0dt01372b","","","0.71073","MoKα","","0.2155","0.069","","","0.1415","0.1907","","","","","","0.924","","","","has coordinates","260776","2021-01-07","06:28:06",""
"7704407","17.115","0.003","21.523","0.004","27.618","0.005","90","","90","","90","","10174","3","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C53 H60 Cl2 N8 O10 V -","- C53 H60 Cl2 N8 O10 V -","- C424 H480 Cl16 N64 O80 V8 -","8","1","","Peterson, Madeline; Hunt, Camden; Wang, Zongheng; Heinrich, Shannon E.; Wu, Guang; Ménard, Gabriel","Synthesis, characterization, and electrochemical properties of a first-row metal phthalocyanine series.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16268","16277","10.1039/d0dt01372b","","","0.71073","MoKα","","0.0475","0.0385","","","0.1006","0.1072","","","","","","1.049","","","","has coordinates","260776","2021-01-07","06:28:06",""
"7704408","15.0873","0.0009","19.2617","0.0011","16.4895","0.0009","90","","97.573","0.003","90","","4750.2","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 Cl4 N8 Ni O8 -","- C50 H52 Cl4 N8 Ni O8 -","- C200 H208 Cl16 N32 Ni4 O32 -","4","1","","Peterson, Madeline; Hunt, Camden; Wang, Zongheng; Heinrich, Shannon E.; Wu, Guang; Ménard, Gabriel","Synthesis, characterization, and electrochemical properties of a first-row metal phthalocyanine series.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16268","16277","10.1039/d0dt01372b","","","0.71073","MoKα","","0.0673","0.0414","","","0.0919","0.1053","","","","","","0.9","","","","has coordinates,has disorder","260776","2021-01-07","06:28:06",""
"7704409","32.759","0.002","24.05","0.003","22.8653","0.0015","90","","134.27","","90","","12899","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H95.75 Cr N8 O13 -","- C69 H74 Cr N8 O13 -","- C552 H592 Cr8 N64 O104 -","8","1","","Peterson, Madeline; Hunt, Camden; Wang, Zongheng; Heinrich, Shannon E.; Wu, Guang; Ménard, Gabriel","Synthesis, characterization, and electrochemical properties of a first-row metal phthalocyanine series.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16268","16277","10.1039/d0dt01372b","","","0.71073","MoKα","","0.1399","0.0949","","","0.2722","0.3086","","","","","","1.075","","","","has coordinates","260776","2021-01-07","06:28:06",""
"7704410","15.08","0.004","19.284","0.006","16.581","0.005","90","","97.719","0.018","90","","4778","2","126","2","126","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 Cl4 Cu N8 O8 -","- C50 H52 Cl4 Cu N8 O8 -","- C200 H208 Cl16 Cu4 N32 O32 -","4","1","","Peterson, Madeline; Hunt, Camden; Wang, Zongheng; Heinrich, Shannon E.; Wu, Guang; Ménard, Gabriel","Synthesis, characterization, and electrochemical properties of a first-row metal phthalocyanine series.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16268","16277","10.1039/d0dt01372b","","","0.71073","MoKα","","0.1193","0.0625","","","0.1501","0.1821","","","","","","0.927","","","","has coordinates,has disorder","260776","2021-01-07","06:28:06",""
"7704411","15.072","0.008","19.377","0.008","16.392","0.005","90","","97.374","0.014","90","","4748","4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 Cl4 Co N8 O8 -","- C50 H52 Cl4 Co N8 O8 -","- C200 H208 Cl16 Co4 N32 O32 -","4","1","","Peterson, Madeline; Hunt, Camden; Wang, Zongheng; Heinrich, Shannon E.; Wu, Guang; Ménard, Gabriel","Synthesis, characterization, and electrochemical properties of a first-row metal phthalocyanine series.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16268","16277","10.1039/d0dt01372b","","","0.71073","MoKα","","0.1416","0.0612","","","0.1106","0.1386","","","","","","0.968","","","","has coordinates","260776","2021-01-07","06:28:06",""
"7704412","8.5221","0.0007","18.6073","0.0014","11.5804","0.0008","90","","90.784","0.002","90","","1836.2","0.2","100","2","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O4 -","- C23 H19 N O4 -","- C92 H76 N4 O16 -","4","1","","Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Novel syntheses of carbazole-3,6-dicarboxylate ligands and their utilization for porous coordination cages.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16340","16347","10.1039/d0dt01149e","","","0.71073","MoKα","","0.0563","0.049","","","0.14","0.1479","","","","","","1.035","","","","has coordinates","260781","2021-01-07","06:29:12",""
"7704413","8.0842","0.0004","11.3339","0.0005","26.9495","0.0013","90","","91.201","0.004","90","","2468.7","0.2","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C128 H104 N8 O16 -","8","2","","Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Novel syntheses of carbazole-3,6-dicarboxylate ligands and their utilization for porous coordination cages.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16340","16347","10.1039/d0dt01149e","","","1.54178","CuKα","","0.0871","0.0625","","","0.1665","0.1817","","","","","","1.128","","","","has coordinates","260781","2021-01-07","06:29:12",""
"7704414","11.9548","0.0005","11.976","0.0005","14.6392","0.0007","85.735","0.002","70.006","0.002","60.546","0.001","1703.72","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","2","","Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Novel syntheses of carbazole-3,6-dicarboxylate ligands and their utilization for porous coordination cages.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16340","16347","10.1039/d0dt01149e","","","1.54178","CuKα","","0.0404","0.0384","","","0.1006","0.103","","","","","","1.029","","","","has coordinates","260781","2021-01-07","06:29:12",""
"7704415","20.36","0.0011","21.1957","0.0011","23.9825","0.0013","81.376","0.003","71.855","0.003","68.009","0.003","9112.8","0.9","109","2","109","2","","","","","","","","5","P -1","-P 1","2","","","","- C303.74 H272.41 Cu12 N24.93 O64 -","- C303.736 H272.406 Cu12 N24.934 O64 -","- C303.736 H272.406 Cu12 N24.934 O64 -","1","0.5","","Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Novel syntheses of carbazole-3,6-dicarboxylate ligands and their utilization for porous coordination cages.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16340","16347","10.1039/d0dt01149e","","","1.54178","CuKα","","0.1139","0.0849","","","0.2405","0.2718","","","","","","1.035","","","","has coordinates,has disorder","260781","2021-01-07","06:29:12",""
"7704416","13.1936","0.0004","13.4238","0.0005","18.4168","0.0006","95.402","0.002","94.625","0.002","98.023","0.002","3200.92","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H71 B2 Co N7 -","- C79 H71 B2 Co N7 -","- C158 H142 B4 Co2 N14 -","2","1","","Yi, Gangji; Zhang, Chunyang; Zhao, Wen; Cui, Huihui; Chen, Lei; Wang, Zhenxing; Chen, Xue-Tai; Yuan, Aihua; Liu, Yuan-Zhong; Ouyang, Zhong-Wen","Structure, magnetic anisotropy and relaxation behavior of seven-coordinate Co(ii) single-ion magnets perturbed by counter-anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7620","7627","10.1039/d0dt01232g","","","0.71073","MoKα","","0.1032","0.0454","","","0.1082","0.1446","","","","","","1.003","","","","has coordinates","253889","2020-10-21","18:00:00",""
"7704417","18.1032","0.0015","13.331","0.0011","29.071","0.002","90","","90","","90","","7015.8","1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H33 Cl2 Co N7 O9 -","- C31 H31 Cl2 Co N7 O9 -","- C248 H248 Cl16 Co8 N56 O72 -","8","1","","Yi, Gangji; Zhang, Chunyang; Zhao, Wen; Cui, Huihui; Chen, Lei; Wang, Zhenxing; Chen, Xue-Tai; Yuan, Aihua; Liu, Yuan-Zhong; Ouyang, Zhong-Wen","Structure, magnetic anisotropy and relaxation behavior of seven-coordinate Co(ii) single-ion magnets perturbed by counter-anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7620","7627","10.1039/d0dt01232g","","","0.71073","MoKα","","0.1475","0.0653","","","0.127","0.1534","","","","","","1.032","","","","has coordinates,has disorder","253889","2020-10-21","18:00:00",""
"7704418","20.6301","0.0011","17.5943","0.001","19.326","0.0011","90","","90","","90","","7014.8","0.7","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C31 H31 Co F12 N7 P2 -","- C31 H31 Co F12 N7 P2 -","- C248 H248 Co8 F96 N56 P16 -","8","2","","Yi, Gangji; Zhang, Chunyang; Zhao, Wen; Cui, Huihui; Chen, Lei; Wang, Zhenxing; Chen, Xue-Tai; Yuan, Aihua; Liu, Yuan-Zhong; Ouyang, Zhong-Wen","Structure, magnetic anisotropy and relaxation behavior of seven-coordinate Co(ii) single-ion magnets perturbed by counter-anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7620","7627","10.1039/d0dt01232g","","","0.71073","MoKα","","0.08","0.0545","","","0.1411","0.1592","","","","","","1.104","","","","has coordinates","253889","2020-10-21","18:00:00",""
"7704419","36.052","0.007","10.495","0.002","35.315","0.006","90","","113.603","0.01","90","","12244","4","170","2","170","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H50 B2 F8 Fe N4 P2 -","- C58 H50 B2 F8 Fe N4 P2 -","- C464 H400 B16 F64 Fe8 N32 P16 -","8","1","","Huo, Shangfei; Wang, Qingwei; Zuo, Weiwei","An iron variant of the Noyori hydrogenation catalyst for the asymmetric transfer hydrogenation of ketones.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7959","7967","10.1039/d0dt01204a","","","1.34139","GaKα","","0.1906","0.0989","","","0.2082","0.2778","","","","","","0.7","","","","has coordinates,has disorder","253920","2020-10-21","18:00:00",""
"7704420","22.13","0.03","23.55","0.04","20.35","0.03","90","","96.071","0.017","90","","10546","3","114","2","114.51","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H108 Dy3 N5 Ni5 O46 -","- C80 H94 Dy3 N5 Ni5 O48 -","- C320 H376 Dy12 N20 Ni20 O192 -","4","0.5","","Bhanja, Avik; Moreno-Pineda, Eufemio; Herchel, Radovan; Wernsdorfer, Wolfgang; Ray, Debashis","Self-assembled octanuclear [Ni<sub>5</sub>Ln<sub>3</sub>] (Ln = Dy, Tb and Ho) complexes: synthesis, coordination induced ligand hydrolysis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7968","7976","10.1039/d0dt01675f","","","0.71073","MoKα","","0.0828","0.0465","","","0.1036","0.1175","","","","","","1.036","","","","has coordinates,has disorder","253909","2020-10-21","18:00:00",""
"7704421","22.194","0.003","23.629","0.003","20.418","0.003","90","","96.094","0.004","90","","10647","3","114.51","","114.51","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H108 N5 Ni5 O46 Tb3 -","- C80 H106 N5 Ni5 O46 Tb3 -","- C320 H424 N20 Ni20 O184 Tb12 -","4","0.5","","Bhanja, Avik; Moreno-Pineda, Eufemio; Herchel, Radovan; Wernsdorfer, Wolfgang; Ray, Debashis","Self-assembled octanuclear [Ni<sub>5</sub>Ln<sub>3</sub>] (Ln = Dy, Tb and Ho) complexes: synthesis, coordination induced ligand hydrolysis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7968","7976","10.1039/d0dt01675f","","","0.71073","MoKα","","0.0798","0.0662","","","0.177","0.197","","","","","","1.042","","","","has coordinates,has disorder","253909","2020-10-21","18:00:00",""
"7704422","22.15","0.03","23.57","0.04","20.37","0.03","90","","96.081","0.017","90","","10575","3","114","2","114.51","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H108 Ho3 N5 Ni5 O46 -","- C80 H102 Ho3 N5 Ni5 O46 -","- C320 H408 Ho12 N20 Ni20 O184 -","4","0.5","","Bhanja, Avik; Moreno-Pineda, Eufemio; Herchel, Radovan; Wernsdorfer, Wolfgang; Ray, Debashis","Self-assembled octanuclear [Ni<sub>5</sub>Ln<sub>3</sub>] (Ln = Dy, Tb and Ho) complexes: synthesis, coordination induced ligand hydrolysis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7968","7976","10.1039/d0dt01675f","","","0.71073","MoKα","","0.0623","0.041","","","0.0856","0.092","","","","","","0.986","","","","has coordinates,has disorder","253909","2020-10-21","18:00:00",""
"7704423","9.8438","0.0002","18.8552","0.0003","28.4652","0.0005","90","","93.139","0.001","90","","5275.41","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H31 Cd2 Cl N4 O13 -","- C47 H31 Cd2 Cl N4 O13 -","- C188 H124 Cd8 Cl4 N16 O52 -","4","1","","Li, Peng; Guo, Meng-Yue; Gao, Lu-Lu; Yin, Xue-Mei; Yang, Shuai-Liang; Bu, Ran; Gao, En-Qing","Photoresponsivity and antibiotic sensing properties of an entangled tris(pyridinium)-based metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7488","7495","10.1039/d0dt00397b","","","1.54178","CuKα","","0.0834","0.0762","","","0.2148","0.22","","","","","","1.096","","","","has coordinates,has disorder","253881","2020-10-21","18:00:00",""
"7704424","11.628","0.003","11.773","0.003","17.46","0.004","105.674","0.007","103.463","0.007","102.418","0.007","2137.2","0.9","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C45 H42 N2 O6 P2 Ru -","- C45 H42 N2 O6 P2 Ru -","- C90 H84 N4 O12 P4 Ru2 -","2","1","","Lovison, Denise; Allegri, Lorenzo; Baldan, Federica; Ballico, Maurizio; Damante, Giuseppe; Jandl, Christian; Baratta, Walter","Cationic carboxylate and thioacetate ruthenium(ii) complexes: synthesis and cytotoxic activity against anaplastic thyroid cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8375","8388","10.1039/d0dt01390k","","x-ray","0.71073","MoKα","","0.0577","0.0399","","","0.0916","0.1025","","","","","","1.095","","","","has coordinates,has disorder","253863","2020-10-21","18:00:00",""
"7704425","14.9335","0.0009","15.2819","0.0009","19.059","0.0012","80.178","0.002","67.601","0.002","83.202","0.002","3955.6","0.4","100","","100","","","","","","","","see text","7","P -1","-P 1","2","","","","- C43 H36 N4 O P2 Ru S2 -","- C42.9995 H36 N3.9995 O P2 Ru S1.9995 -","- C171.998 H144 N15.998 O4 P8 Ru4 S7.998 -","4","2","","Lovison, Denise; Allegri, Lorenzo; Baldan, Federica; Ballico, Maurizio; Damante, Giuseppe; Jandl, Christian; Baratta, Walter","Cationic carboxylate and thioacetate ruthenium(ii) complexes: synthesis and cytotoxic activity against anaplastic thyroid cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8375","8388","10.1039/d0dt01390k","","x-ray","0.71073","MoKα","","0.0342","0.0293","","","0.0778","0.0809","","","","","","1.083","","","","has coordinates,has disorder","253863","2020-10-21","18:00:00",""
"7704426","7.3572","0.0003","12.3495","0.0005","24.1793","0.0009","90","","92.552","0.002","90","","2194.7","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Pt(fenbzEttsc)]","","","- C25 H21 N5 O Pt S -","- C25 H21 N5 O Pt S -","- C100 H84 N20 O4 Pt4 S4 -","4","1","","Gonçalves, Ana C R; Rettondin, Andressa R.; Oliveira, Carolina G.; Patrocinio, Antonio O. T.; Machado, Antonio E. H.; Deflon, Victor M.; Abram, Ulrich; Maia, Pedro I. S.","Intramolecular C(sp<sup>2</sup>)-C (sp<sup>2</sup>) bond formation between phenanthroline and β-diketone thiosemicarbazones in Pt<sup>II</sup> complexes: crystal structures and computational studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9564","9567","10.1039/d0dt00367k","","","0.71073","MoKα","","0.0474","0.0293","","","0.0768","0.0899","","","","","","1.019","","","","has coordinates","254956","2020-10-21","18:00:00",""
"7704427","12.738","0.0004","14.3284","0.0005","14.5859","0.0005","69.471","0.002","85.039","0.002","77.604","0.002","2434.78","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H21 N5 O Pt S -","- C29 H21 N5 O Pt S -","- C116 H84 N20 O4 Pt4 S4 -","4","2","","Gonçalves, Ana C R; Rettondin, Andressa R.; Oliveira, Carolina G.; Patrocinio, Antonio O. T.; Machado, Antonio E. H.; Deflon, Victor M.; Abram, Ulrich; Maia, Pedro I. S.","Intramolecular C(sp<sup>2</sup>)-C (sp<sup>2</sup>) bond formation between phenanthroline and β-diketone thiosemicarbazones in Pt<sup>II</sup> complexes: crystal structures and computational studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9564","9567","10.1039/d0dt00367k","","","0.71073","MoKα","","0.0489","0.0296","","","0.0553","0.0614","","","","","","1.023","","","","has coordinates","254956","2020-10-21","18:00:00",""
"7704428","16.5825","0.0012","7.2695","0.0005","16.6064","0.0011","90","","109.608","0.001","90","","1885.8","0.2","102","2","102","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H33 Al O Si2 -","- C13 H33 Al O Si2 -","- C52 H132 Al4 O4 Si8 -","4","1","","Mortis, Alexandros; Barisic, Damir; Eichele, Klaus; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Scandium bis(trimethylsilyl)methyl complexes revisited: extending the <sup>45</sup>Sc NMR chemical shift range and a new structural motif of Li[CH(SiMe<sub>3</sub>)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7829","7841","10.1039/d0dt01247e","","","0.71073","MoKα","","0.0485","0.0347","","","0.0819","0.0882","","","","","","1.05","","","","has coordinates","253917","2020-10-21","18:00:00",""
"7704429","11.7206","0.0006","15.8089","0.0009","19.1136","0.001","84.989","0.003","89.272","0.003","79.97","0.003","3474.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H108 Cl4 Li2 O4 Sc2 Si8 -","- C44 H108 Cl4 Li2 O4 Sc2 Si8 -","- C88 H216 Cl8 Li4 O8 Sc4 Si16 -","2","1","","Mortis, Alexandros; Barisic, Damir; Eichele, Klaus; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Scandium bis(trimethylsilyl)methyl complexes revisited: extending the <sup>45</sup>Sc NMR chemical shift range and a new structural motif of Li[CH(SiMe<sub>3</sub>)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7829","7841","10.1039/d0dt01247e","","","0.71073","MoKα","","0.0874","0.0447","","","0.0851","0.0973","","","","","","1.007","","","","has coordinates,has disorder","253917","2020-10-21","18:00:00",""
"7704430","23.659","0.004","12.098","0.002","34.338","0.006","90","","98.579","0.004","90","","9718","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H84 Li O3 Sc Si6 -","- C34 H84 Li O3 Sc Si6 -","- C272 H672 Li8 O24 Sc8 Si48 -","8","1","","Mortis, Alexandros; Barisic, Damir; Eichele, Klaus; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Scandium bis(trimethylsilyl)methyl complexes revisited: extending the <sup>45</sup>Sc NMR chemical shift range and a new structural motif of Li[CH(SiMe<sub>3</sub>)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7829","7841","10.1039/d0dt01247e","","","0.71073","MoKα","","0.1077","0.0561","","","0.1169","0.138","","","","","","1.018","","","","has coordinates,has disorder","253917","2020-10-21","18:00:00",""
"7704431","13.3428","0.0003","17.6787","0.0004","18.805","0.0004","90","","125.571","0.001","90","","3608.05","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H120 Li2 O4 Sc2 Si8 -","- C48 H120 Li2 O4 Sc2 Si8 -","- C96 H240 Li4 O8 Sc4 Si16 -","2","0.5","","Mortis, Alexandros; Barisic, Damir; Eichele, Klaus; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Scandium bis(trimethylsilyl)methyl complexes revisited: extending the <sup>45</sup>Sc NMR chemical shift range and a new structural motif of Li[CH(SiMe<sub>3</sub>)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7829","7841","10.1039/d0dt01247e","","","0.71073","MoKα","","0.0694","0.0481","","","0.1261","0.1406","","","","","","1.026","","","","has coordinates,has disorder","253917","2020-10-21","18:00:00",""
"7704432","12.3059","0.0009","13.2573","0.0009","13.4567","0.001","117.844","0.002","103.659","0.002","101.026","0.002","1766.3","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H110 O6 Sc2 -","- C79 H110 O6 Sc2 -","- C79 H110 O6 Sc2 -","1","0.5","","Mortis, Alexandros; Barisic, Damir; Eichele, Klaus; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Scandium bis(trimethylsilyl)methyl complexes revisited: extending the <sup>45</sup>Sc NMR chemical shift range and a new structural motif of Li[CH(SiMe<sub>3</sub>)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7829","7841","10.1039/d0dt01247e","","","0.71073","MoKα","","0.0487","0.0395","","","0.1021","0.1091","","","","","","1.042","","","","has coordinates,has disorder","253917","2020-10-21","18:00:00",""
"7704433","11.9397","0.0019","12.83","0.002","17.909","0.003","96.181","0.002","90.239","0.002","116.57","0.002","2435.2","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H81 Cl Li O3 Sc Si6 -","- C33 H81 Cl Li O3 Sc Si6 -","- C66 H162 Cl2 Li2 O6 Sc2 Si12 -","2","1","","Mortis, Alexandros; Barisic, Damir; Eichele, Klaus; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Scandium bis(trimethylsilyl)methyl complexes revisited: extending the <sup>45</sup>Sc NMR chemical shift range and a new structural motif of Li[CH(SiMe<sub>3</sub>)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7829","7841","10.1039/d0dt01247e","","","0.71073","MoKα","","0.0892","0.0698","","","0.1995","0.2148","","","","","","1.07","","","","has coordinates,has disorder","253917","2020-10-21","18:00:00",""
"7704434","18.6814","0.0019","10.5353","0.0009","14.8709","0.0014","90","","109.241","0.003","90","","2763.3","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cl N3 Ni O7 -","- C30 H24 Cl N3 Ni O7 -","- C120 H96 Cl4 N12 Ni4 O28 -","4","1","","Elsberg, Josiah G. D.; Peterson, Austin; Fuller, Amy L.; Berreau, Lisa M.","N<sub>3</sub>-Ligated nickel(ii) diketonate complexes: synthesis, characterization and evaluation of O<sub>2</sub> reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7564","7575","10.1039/d0dt01338b","","x-ray","0.71073","MoKα","","0.0808","0.0693","","","0.1995","0.2074","","","","","","1.191","","","","has coordinates","253885","2020-10-21","18:00:00",""
"7704435","12.2882","0.0013","19.219","0.002","19.786","0.002","87.747","0.003","77.34","0.003","77.49","0.003","4450.8","0.8","105","","105","","","","","","","","","6","P 1","P 1","1","","","","- C45 H38.5 Cl2 N11.5 Ni O8 -","- C45 H38.5 Cl2 N11.5 Ni O8 -","- C180 H154 Cl8 N46 Ni4 O32 -","4","4","","Elsberg, Josiah G. D.; Peterson, Austin; Fuller, Amy L.; Berreau, Lisa M.","N<sub>3</sub>-Ligated nickel(ii) diketonate complexes: synthesis, characterization and evaluation of O<sub>2</sub> reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7564","7575","10.1039/d0dt01338b","","x-ray","0.71073","MoKα","","0.0475","0.0371","","","0.0769","0.0804","","","","","","1.029","","","","has coordinates,has disorder","253885","2020-10-21","18:00:00",""
"7704436","15.6762","0.0012","13.2879","0.0009","21.9128","0.0018","90","","91.405","0.003","90","","4563.1","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 Cl N4 Ni O6 -","- C22 H21 Cl N4 Ni O6 -","- C176 H168 Cl8 N32 Ni8 O48 -","8","1","","Elsberg, Josiah G. D.; Peterson, Austin; Fuller, Amy L.; Berreau, Lisa M.","N<sub>3</sub>-Ligated nickel(ii) diketonate complexes: synthesis, characterization and evaluation of O<sub>2</sub> reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7564","7575","10.1039/d0dt01338b","","x-ray","0.71073","MoKα","","0.0464","0.0319","","","0.0722","0.0778","","","","","","1.031","","","","has coordinates","253885","2020-10-21","18:00:00",""
"7704437","9.9556","0.0002","11.6346","0.0004","14.2457","0.0004","110.337","0.003","91.439","0.002","113.304","0.003","1395.43","0.09","102","3","102","3","","","","","","","","6","P -1","-P 1","2","","[(TERPY)NiTbutyl-diketonate]ClO4","","- C26 H32 Cl N3 Ni O7 -","- C26 H32 Cl N3 Ni O7 -","- C52 H64 Cl2 N6 Ni2 O14 -","2","1","","Elsberg, Josiah G. D.; Peterson, Austin; Fuller, Amy L.; Berreau, Lisa M.","N<sub>3</sub>-Ligated nickel(ii) diketonate complexes: synthesis, characterization and evaluation of O<sub>2</sub> reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7564","7575","10.1039/d0dt01338b","","x-ray","0.71073","MoKα","","0.0434","0.0329","","","0.0774","0.0812","","","","","","1.053","","","","has coordinates","253885","2020-10-21","18:00:00",""
"7704438","14.2994","0.0006","18.5793","0.0006","23.5935","0.0007","68.714","0.003","78.174","0.003","73.182","0.003","5555.5","0.4","120","0.14","120","0.14","","","","","","","","8","P -1","-P 1","2","","","","- C112 H112 Cl4 Fe2 K2 N4 O20 S8 -","- C112 H112 Cl4 Fe2 K2 N4 O20 S8 -","- C224 H224 Cl8 Fe4 K4 N8 O40 S16 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Strong magnetic coupling of spins in Fe(ii) dimers with differently charged thioindigo ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7692","7696","10.1039/d0dt01262a","","","0.71073","MoKα","","0.1525","0.0687","","","0.1084","0.1359","","","","","","1.02","","","","has coordinates,has disorder","253910","2020-10-21","18:00:00",""
"7704439","8.1145","0.0002","11.1511","0.0003","26.8325","0.0007","90","","90","","90","","2427.95","0.11","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Cl2 N3 O Zn -","- C26 H27 Cl2 N3 O Zn -","- C104 H108 Cl8 N12 O4 Zn4 -","4","1","","Kokina, Tatyana E.; Rakhmanova, Marianna I.; Shekhovtsov, Nikita A.; Glinskaya, Ludmila A.; Komarov, Vladislav Y.; Agafontsev, Alexander M.; Baranov, Andrey Y.; Plyusnin, Pavel E.; Sheludyakova, Liliya A.; Tkachev, Alexey V.; Bushuev, Mark B.","Luminescent Zn(ii) and Cd(ii) complexes with chiral 2,2'-bipyridine ligands bearing natural monoterpene groups: synthesis, speciation in solution and photophysics.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7552","7563","10.1039/d0dt01438a","","","0.71073","MoKα","","0.0351","0.0293","","","0.0614","0.0634","","","","","","1.036","","","","has coordinates","253879","2020-10-21","18:00:00",""
"7704440","8.2814","0.0004","11.3343","0.0005","26.1739","0.001","90","","90","","90","","2456.78","0.19","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Cd Cl2 N3 O -","- C26 H27 Cd Cl2 N3 O -","- C104 H108 Cd4 Cl8 N12 O4 -","4","1","","Kokina, Tatyana E.; Rakhmanova, Marianna I.; Shekhovtsov, Nikita A.; Glinskaya, Ludmila A.; Komarov, Vladislav Y.; Agafontsev, Alexander M.; Baranov, Andrey Y.; Plyusnin, Pavel E.; Sheludyakova, Liliya A.; Tkachev, Alexey V.; Bushuev, Mark B.","Luminescent Zn(ii) and Cd(ii) complexes with chiral 2,2'-bipyridine ligands bearing natural monoterpene groups: synthesis, speciation in solution and photophysics.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7552","7563","10.1039/d0dt01438a","","","0.71073","MoKα","","0.027","0.0243","","","0.0507","0.0518","","","","","","1.026","","","","has coordinates","253879","2020-10-21","18:00:00",""
"7704441","19.3177","0.0009","4.7632","0.0001","22.0266","0.0009","90","","115.372","0.005","90","","1831.27","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 I2 N2 O2 -","- C20 H14 I2 N2 O2 -","- C80 H56 I8 N8 O8 -","4","1","","Picci, Giacomo; Bazzicalupi, Carla; Coles, Simon J.; Gratteri, Paola; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Murgia, Sergio; Nocentini, Alessio; Orton, James B.; Caltagirone, Claudia","Halogenated isophthalamides and dipicolineamides: the role of the halogen substituents in the anion binding properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9231","9238","10.1039/d0dt01492c","","x-ray","0.71075","MoKα","K-L~3~","0.0488","0.0433","","","0.1049","0.1081","","","","","","1.109","","","","has coordinates","254982","2020-10-21","18:00:00",""
"7704442","6.9136","0.0002","35.5239","0.0012","7.4234","0.0002","90","","96.837","0.003","90","","1810.21","0.09","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H6 F10 N2 O2 -","- C20 H6 F10 N2 O2 -","- C80 H24 F40 N8 O8 -","4","1","","Picci, Giacomo; Bazzicalupi, Carla; Coles, Simon J.; Gratteri, Paola; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Murgia, Sergio; Nocentini, Alessio; Orton, James B.; Caltagirone, Claudia","Halogenated isophthalamides and dipicolineamides: the role of the halogen substituents in the anion binding properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9231","9238","10.1039/d0dt01492c","","x-ray","0.71075","MoKα","","0.0389","0.0338","","","0.1031","0.1058","","","","","","1.091","","","","has coordinates","254982","2020-10-21","18:00:00",""
"7704443","19.0305","0.0013","4.7498","0.0003","21.7414","0.0016","90","","104.946","0.007","90","","1898.7","0.2","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 Cl4 N2 O2 -","- C20 H12 Cl4 N2 O2 -","- C80 H48 Cl16 N8 O8 -","4","1","","Picci, Giacomo; Bazzicalupi, Carla; Coles, Simon J.; Gratteri, Paola; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Murgia, Sergio; Nocentini, Alessio; Orton, James B.; Caltagirone, Claudia","Halogenated isophthalamides and dipicolineamides: the role of the halogen substituents in the anion binding properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9231","9238","10.1039/d0dt01492c","","x-ray","0.71075","MoKα","","0.0945","0.0476","","","0.0827","0.0972","","","","","","1.028","","","","has coordinates","254982","2020-10-21","18:00:00",""
"7704444","4.2221","0.0002","16.2083","0.001","26.3584","0.0017","90","","93.31","0.001","90","","1800.78","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 I2 N3 O2 -","- C19 H13 I2 N3 O2 -","- C76 H52 I8 N12 O8 -","4","1","","Picci, Giacomo; Bazzicalupi, Carla; Coles, Simon J.; Gratteri, Paola; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Murgia, Sergio; Nocentini, Alessio; Orton, James B.; Caltagirone, Claudia","Halogenated isophthalamides and dipicolineamides: the role of the halogen substituents in the anion binding properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9231","9238","10.1039/d0dt01492c","","x-ray","0.71075","MoKα","K-L~3~","0.0204","0.0188","","","0.0448","0.0458","","","","","","1.038","","","","has coordinates","254982","2020-10-21","18:00:00",""
"7704445","40.29774","0.00008","40.29774","0.00008","17.08786","0.00004","90","","90","","120","","24031.4","0.09","100","2","100","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C51 H78.5 F10 N5 O3.75 -","- C51 H77 F10 N5 O3 -","- C918 H1386 F180 N90 O54 -","18","3","","Picci, Giacomo; Bazzicalupi, Carla; Coles, Simon J.; Gratteri, Paola; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Murgia, Sergio; Nocentini, Alessio; Orton, James B.; Caltagirone, Claudia","Halogenated isophthalamides and dipicolineamides: the role of the halogen substituents in the anion binding properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9231","9238","10.1039/d0dt01492c","","x-ray","1.54178","CuKα","","0.0288","0.0285","","","0.0798","0.0801","","","","","","1.025","","","","has coordinates,has disorder","254982","2020-10-21","18:00:00",""
"7704446","13.4534","0.0004","13.8945","0.0006","14.6955","0.0004","89.071","0.003","88.803","0.002","86.849","0.003","2741.94","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 N8 O2 -","- C30 H32 N8 O2 -","- C120 H128 N32 O8 -","4","2","","Ambrosi, Gianluca; Fanelli, Mirco; Paoli, Paola; Formica, Mauro; Paderni, Daniele; Rossi, Patrizia; Micheloni, Mauro; Giorgi, Luca; Fusi, Vieri","Zn(ii) detection and biological activity of a macrocycle containing a bis(oxadiazole)pyridine derivative as fluorophore.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7496","7506","10.1039/c9dt03910d","","","1.54184","CuKα","","0.1224","0.0994","","","0.3289","0.3454","","","","","","1.096","","","","has coordinates,has disorder","253884","2020-10-21","18:00:00",""
"7704447","8.0534","0.0006","15.0332","0.0012","17.7379","0.0013","90","","98.892","0.008","90","","2121.7","0.3","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 Br2 Co N4 O2 -","- C17 H31 Br2 Co N4 O2 -","- C68 H124 Br8 Co4 N16 O8 -","4","1","","Cui, Luxia; Ono, Toshikazu; Morita, Yoshitsugu; Hisaeda, Yoshio","Electrocatalytic reactivity of imine/oxime-type cobalt complex for direct perfluoroalkylation of indole and aniline derivatives.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7546","7551","10.1039/d0dt01377c","","x-ray","0.71073","MoKα","","0.0538","0.0464","","","0.1206","0.125","","","","","","1.173","","","","has coordinates,has disorder","253873","2020-10-21","18:00:00",""
"7704448","8.7352","0.001","9.9728","0.0011","11.1879","0.0016","89.774","0.011","74.116","0.011","68.544","0.011","867.4","0.2","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H12 F9 N -","- C19 H12 F9 N -","- C38 H24 F18 N2 -","2","1","","Cui, Luxia; Ono, Toshikazu; Morita, Yoshitsugu; Hisaeda, Yoshio","Electrocatalytic reactivity of imine/oxime-type cobalt complex for direct perfluoroalkylation of indole and aniline derivatives.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7546","7551","10.1039/d0dt01377c","","x-ray","0.71073","MoKα","","0.0841","0.0431","","","0.0998","0.1201","","","","","","1.073","","","","has coordinates","253873","2020-10-21","18:00:00",""
"7704449","11.2659","0.0015","10.3109","0.0014","8.5702","0.0012","90","","90.741","0.003","90","","995.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Cu N4 O4 -","- C8 H6 Cu N4 O4 -","- C32 H24 Cu4 N16 O16 -","4","1","","Cheng, Mei-Ling; Qin, Meng-Na; Sun, Lin; Liu, Lu; Liu, Qi; Tang, Xiao-Yan","Highly efficient Cu(ii)-pyrazoledicarboxylate heterogeneous catalysts for a base-free aerobic oxidation of benzylic alcohol to benzaldehyde with hydrogen peroxide as the oxidant.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7758","7765","10.1039/c9dt04927d","","","0.71073","MoKα","","0.0469","0.0323","","","0.0802","0.0863","","","","","","1.047","","","","has coordinates","253906","2020-10-21","18:00:00",""
"7704450","10.4072","0.0008","11.4334","0.0008","12.9954","0.0009","99.827","0.003","98.033","0.003","113.779","0.002","1356.48","0.17","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 N4 O5.5 Zn -","- C31 H26 N4 O5.5 Zn -","- C62 H52 N8 O11 Zn2 -","2","1","","Liu, Han; Fan, Yanru; Li, Xiao; Gao, Kuan; Li, Huijie; Yang, Yisen; Meng, Xiangru; Wu, Jie; Hou, Hongwei","Photochromism of metal-organic frameworks based on carbazole-dicarboxylic acid and bipyridine: sensing adjustment by controlling strut-to-strut energy transfer.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7952","7958","10.1039/d0dt00122h","","","0.71073","MoKα","","0.056","0.0471","","","0.1299","0.1362","","","","","","1.03","","","","has coordinates","253919","2020-10-21","18:00:00",""
"7704451","10.6378","0.0006","12.1483","0.0006","13.0565","0.0006","71.249","0.002","83.003","0.002","73.42","0.002","1530.48","0.14","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 N4 O7 Zn -","- C33 H27 N4 O7 Zn -","- C66 H54 N8 O14 Zn2 -","2","1","","Liu, Han; Fan, Yanru; Li, Xiao; Gao, Kuan; Li, Huijie; Yang, Yisen; Meng, Xiangru; Wu, Jie; Hou, Hongwei","Photochromism of metal-organic frameworks based on carbazole-dicarboxylic acid and bipyridine: sensing adjustment by controlling strut-to-strut energy transfer.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7952","7958","10.1039/d0dt00122h","","","0.71073","MoKα","","0.054","0.0416","","","0.1041","0.1102","","","","","","1.0472","","","","has coordinates","253919","2020-10-21","18:00:00",""
"7704452","11.5433","0.0004","11.5433","0.0004","11.4136","0.0004","90","","90","","90","","1520.84","0.09","299","2","299","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium bismuth tetratungstate","","- Bi Na5 O16 W4 -","- Bi Na5 O16 W4 -","- Bi4 Na20 O64 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.025","0.0181","","","0.0297","0.0307","","","","","","1.069","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704453","11.5765","0.0002","11.5765","0.0002","11.4797","0.0002","90","","90","","90","","1538.46","0.05","300","2","300","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium praseodymium tetratungstate","","- Na5 O16 Pr W4 -","- Na5 O16 Pr W4 -","- Na20 O64 Pr4 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.024","0.018","","","0.0289","0.0298","","","","","","1.076","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704454","11.469","0.0005","11.469","0.0005","11.3791","0.0006","90","","90","","90","","1496.78","0.12","300","2","300","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium terbium tetratungstate","","- Na5 O16 Tb W4 -","- Na5 O16 Tb W4 -","- Na20 O64 Tb4 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.0282","0.0207","","","0.039","0.04","","","","","","1.095","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704455","11.4681","0.0004","11.4681","0.0004","11.3759","0.0004","90","","90","","90","","1496.13","0.09","300","2","300","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- Eu0.51 Na5 O16 W4 Y0.49 -","- Eu0.511 Na5 O16 W4 Y0.489 -","- Eu2.044 Na20 O64 W16 Y1.956 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.0271","0.019","","","0.0312","0.0325","","","","","","1.054","","","","has coordinates,has disorder","253859","2020-10-21","18:00:00",""
"7704456","11.4602","0.0002","11.4602","0.0002","11.3678","0.0003","90","","90","","90","","1493","0.05","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- Na5 O16 Tb0.51 W4 Y0.49 -","- Na5 O16 Tb0.514 W4 Y0.486 -","- Na20 O64 Tb2.056 W16 Y1.944 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.021","0.0167","","","0.0305","0.0311","","","","","","1.113","","","","has coordinates,has disorder","253859","2020-10-21","18:00:00",""
"7704457","5.2624","0.0001","5.2624","0.0001","11.4078","0.0003","90","","90","","90","","315.915","0.012","298","2","298","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Eu Na O8 W2 -","- Eu0.964 Na1.036 O8 W2 -","- Eu1.928 Na2.072 O16 W4 -","2","0.125","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.018","0.0143","","","0.0329","0.034","","","","","","1.12","","","","has coordinates,has disorder","253859","2020-10-21","18:00:00",""
"7704458","11.3965","0.001","11.3965","0.001","11.2932","0.0011","90","","90","","90","","1466.8","0.2","297","2","297","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium ytterbium tetratungstate","","- Na5 O16 W4 Yb -","- Na5 O16 W4 Yb -","- Na20 O64 W16 Yb4 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.03","0.0208","","","0.0376","0.0391","","","","","","1.049","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704459","11.5161","0.0004","11.5161","0.0004","11.4231","0.0004","90","","90","","90","","1514.94","0.09","298","2","298","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium samarium tetratungstate","","- Na5 O16 Sm W4 -","- Na5 O16 Sm W4 -","- Na20 O64 Sm4 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.023","0.0174","","","0.0313","0.0321","","","","","","1.038","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704460","11.4998","0.0004","11.4998","0.0004","11.4061","0.0004","90","","90","","90","","1508.4","0.09","301","2","301","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium europium tetratungstate","","- Eu Na5 O16 W4 -","- Eu Na5 O16 W4 -","- Eu4 Na20 O64 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.0258","0.0181","","","0.0347","0.0356","","","","","","1.025","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704461","11.4796","0.0004","11.4796","0.0004","11.3779","0.0004","90","","90","","90","","1499.39","0.09","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium gadolinium tetratungstate","","- Gd Na5 O16 W4 -","- Gd Na5 O16 W4 -","- Gd4 Na20 O64 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.0243","0.0182","","","0.0341","0.0349","","","","","","1.081","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704462","11.3999","0.0006","11.3999","0.0006","11.2985","0.0006","90","","90","","90","","1468.33","0.13","299","2","299","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium thulium tetratungstate","","- Na5 O16 Tm W4 -","- Na5 O16 Tm W4 -","- Na20 O64 Tm4 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.0266","0.0195","","","0.0352","0.0363","","","","","","1.076","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704463","11.4399","0.0004","11.4399","0.0004","11.3469","0.0005","90","","90","","90","","1484.98","0.1","298","2","298","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium holmium tetratungstate","","- Ho Na5 O16 W4 -","- Ho Na5 O16 W4 -","- Ho4 Na20 O64 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.0252","0.0188","","","0.0344","0.0354","","","","","","1.086","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704464","11.38701","0.00012","11.38701","0.00012","11.28231","0.00013","90","","90","","90","","1462.91","0.03","300","3","300","3","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium lutetium tetratungstate","Na5Lu(WO4)4","- Lu Na5 O16 W4 -","- Lu Na5 O16 W4 -","- Lu4 Na20 O64 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","powder diffraction","","1.54184","CuKα","","","","","","","","","0.0163","","","","","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704465","11.5857","0.0003","11.5857","0.0003","11.5247","0.0004","90","","90","","90","","1546.94","0.08","301","2","301","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium cerium tetratungstate","","- Ce Na5 O16 W4 -","- Ce Na5 O16 W4 -","- Ce4 Na20 O64 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.0321","0.0302","","","0.0714","0.0719","","","","","","1.342","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704466","11.63319","0.00011","11.63319","0.00011","11.54299","0.00013","90","","90","","90","","1562.13","0.03","300","3","300","3","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium lanthanum tetratungstate","Na5La(WO4)4","- La Na5 O16 W4 -","- La Na5 O16 W4 -","- La4 Na20 O64 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","powder diffraction","","1.54184","CuKα","","","","","","","","","0.0223","","","","","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704467","11.5589","0.0004","11.5589","0.0004","11.4722","0.0004","90","","90","","90","","1532.78","0.09","295","2","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium neodymium tetratungstate","","- Na5 Nd O16 W4 -","- Na5 Nd O16 W4 -","- Na20 Nd4 O64 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","","","0.71073","MoKα","","0.0322","0.0216","","","0.0351","0.0362","","","","","","1.038","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704468","11.45626","0.00015","11.45626","0.00015","11.35742","0.00017","90","","90","","90","","1490.61","0.04","300","3","300","3","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium dysprosium tetratungstate","Na5Dy(WO4)4","- Dy Na5 O16 W4 -","- Dy Na5 O16 W4 -","- Dy4 Na20 O64 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","powder diffraction","","1.54184","CuKα","","","","","","","","","0.0152","","","","","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704469","11.43616","0.00011","11.43616","0.00011","11.34047","0.00012","90","","90","","90","","1483.17","0.03","300","3","300","3","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium yttrium tetratungstate","Na5Y(WO4)4","- Na5 O16 W4 Y -","- Na5 O16 W4 Y -","- Na20 O64 W16 Y4 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","powder diffraction","","1.54184","CuKα","","","","","","","","","0.0169","","","","","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704470","11.42573","0.00013","11.42573","0.00013","11.32408","0.00014","90","","90","","90","","1478.33","0.03","300","3","300","3","","","","","","","","4","I 41/a :2","-I 4ad","88","","pentasodium erbium tetratungstate","Na5Er(WO4)4","- Er Na5 O16 W4 -","- Er Na5 O16 W4 -","- Er4 Na20 O64 W16 -","4","0.25","","Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A","On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8209","8225","10.1039/d0dt00782j","powder diffraction","","1.54184","CuKα","","","","","","","","","0.016","","","","","","","","has coordinates","253859","2020-10-21","18:00:00",""
"7704471","22.579","0.005","18.004","0.004","17.445","0.004","90","","90","","90","","7092","3","150","2","150","2","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C20.67 H18 Cl F3 N1.67 O3 S Sb0.67 -","- C20.6667 H18 Cl F3 N1.66667 O3 S Sb0.666667 -","- C248 H216 Cl12 F36 N20 O36 S12 Sb8 -","12","1.5","","Egalahewa, Sathsara; Aprile, Antonino; Dutton, Jason L.","Reactions of PhIX<sub>2</sub> I(iii) oxidants with heavy triphenyl pnictines.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7507","7513","10.1039/d0dt00777c","","","0.71073","MoKα","","0.0394","0.0368","","","0.096","0.0976","","","","","","1.073","","","","has coordinates","253874","2020-10-21","18:00:00",""
"7704472","9.91","0.002","41.067","0.008","10.049","0.002","90","","119.29","0.03","90","","3566.8","1.6","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H30 As2 F3 N O3 S -","- C39 H30 As2 F3 N O3 S -","- C156 H120 As8 F12 N4 O12 S4 -","4","2","","Egalahewa, Sathsara; Aprile, Antonino; Dutton, Jason L.","Reactions of PhIX<sub>2</sub> I(iii) oxidants with heavy triphenyl pnictines.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7507","7513","10.1039/d0dt00777c","","","1.54184","CuKα","","0.099","0.0935","","","0.2843","0.2913","","","","","","1.06","","","","has coordinates","253874","2020-10-21","18:00:00",""
"7704473","9.5348","0.0004","8.6886","0.0003","11.8188","0.0008","90","","95.333","0.005","90","","974.88","0.08","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 As N0 O4 -","- C22 H21 As O4 -","- C44 H42 As2 O8 -","2","1","","Egalahewa, Sathsara; Aprile, Antonino; Dutton, Jason L.","Reactions of PhIX<sub>2</sub> I(iii) oxidants with heavy triphenyl pnictines.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7507","7513","10.1039/d0dt00777c","","","0.71073","MoKα","","0.0372","0.0321","","","0.0636","0.0651","","","","","","1.036","","","","has coordinates","253874","2020-10-21","18:00:00",""
"7704474","12.2818","0.0005","12.6786","0.0005","15.1093","0.0006","90","","104.371","0.004","90","","2279.14","0.16","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Au F5 N P S -","- C24 H16 Au F5 N P S -","- C96 H64 Au4 F20 N4 P4 S4 -","4","1","","Martín-Encinas, Endika; Conejo-Rodríguez, Verónica; Miguel, Jesús A; Martínez-Ilarduya, Jesús M; Rubiales, Gloria; Knudsen, Birgitta R.; Palacios, Francisco; Alonso, Concepción","Novel phosphine sulphide gold(i) complexes: topoisomerase I inhibitors and antiproliferative agents.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7852","7861","10.1039/d0dt01467b","","x-ray","0.71073","MoKα","","0.0779","0.0409","","","0.0714","0.0849","","","","","","1.024","","","","has coordinates","253914","2020-10-21","18:00:00",""
"7704475","7.3678","0.0004","9.2749","0.0005","16.2849","0.0008","83.944","0.004","79.946","0.004","89.716","0.005","1089.53","0.1","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 Au F5 P S -","- C24 H15 Au F5 P S -","- C48 H30 Au2 F10 P2 S2 -","2","1","","Martín-Encinas, Endika; Conejo-Rodríguez, Verónica; Miguel, Jesús A; Martínez-Ilarduya, Jesús M; Rubiales, Gloria; Knudsen, Birgitta R.; Palacios, Francisco; Alonso, Concepción","Novel phosphine sulphide gold(i) complexes: topoisomerase I inhibitors and antiproliferative agents.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7852","7861","10.1039/d0dt01467b","","x-ray","0.71073","MoKα","","0.0671","0.0423","","","0.063","0.0742","","","","","","0.994","","","","has coordinates","253914","2020-10-21","18:00:00",""
"7704476","8.9368","0.0003","13.7072","0.0006","15.0808","0.0005","79.195","0.003","78.797","0.003","88.661","0.003","1779.88","0.12","293","2","293","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H26 Au F5 N P S -","- C43 H26 Au F5 N P S -","- C86 H52 Au2 F10 N2 P2 S2 -","2","1","","Martín-Encinas, Endika; Conejo-Rodríguez, Verónica; Miguel, Jesús A; Martínez-Ilarduya, Jesús M; Rubiales, Gloria; Knudsen, Birgitta R.; Palacios, Francisco; Alonso, Concepción","Novel phosphine sulphide gold(i) complexes: topoisomerase I inhibitors and antiproliferative agents.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7852","7861","10.1039/d0dt01467b","","x-ray","0.71073","MoKα","","0.0736","0.0441","","","0.0766","0.0892","","","","","","1.047","","","","has coordinates","253914","2020-10-21","18:00:00",""
"7704477","7.0336","0.0006","16.5823","0.0015","18.4251","0.0015","81.687","0.003","89.129","0.002","85.846","0.003","2120.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H84 N12 O26 Zn2 -","- C60 H84 N12 O26 Zn2 -","- C60 H84 N12 O26 Zn2 -","1","0.5","","Karmakar, Anirban; Soliman, Mohamed M. A.; Rúbio, Guilherme M D M; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Synthesis and catalytic activities of a Zn(ii) based metallomacrocycle and a metal-organic framework towards one-pot deacetalization-Knoevenagel tandem reactions under different strategies: a comparative study.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8075","8085","10.1039/d0dt01312a","","","0.71073","MoKα","","0.0908","0.0799","","","0.2076","0.2149","","","","","","1.049","","","","has coordinates","253855","2020-10-21","18:00:00",""
"7704478","15.6267","0.0016","15.6542","0.0015","19.192","0.0017","111.05","0.003","99.873","0.003","106.17","0.004","4010.5","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H126 N20 O42 Zn5 -","- C108 H126 N20 O42 Zn5 -","- C108 H126 N20 O42 Zn5 -","1","0.5","","Karmakar, Anirban; Soliman, Mohamed M. A.; Rúbio, Guilherme M D M; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Synthesis and catalytic activities of a Zn(ii) based metallomacrocycle and a metal-organic framework towards one-pot deacetalization-Knoevenagel tandem reactions under different strategies: a comparative study.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8075","8085","10.1039/d0dt01312a","","","0.71073","MoKα","","0.1024","0.0888","","","0.2612","0.2751","","","","","","1.124","","","","has coordinates","253855","2020-10-21","18:00:00",""
"7704479","14.6015","0.001","14.2461","0.0011","17.5327","0.0014","90","","105.912","0.004","90","","3507.3","0.5","120","2","120","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Bi F6 N O6 P2 S2 -","- C28 H40 Bi F6 N O6 P2 S2 -","- C112 H160 Bi4 F24 N4 O24 P8 S8 -","4","1","","Kindervater, Marcus B.; Hynes, Toren; Marczenko, Katherine M.; Chitnis, Saurabh S.","Squeezing Bi: PNP and P<sub>2</sub>N<sub>3</sub> pincer complexes of bismuth.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16072","16076","10.1039/d0dt01413c","","","1.54184","CuKα","","0.0216","0.0213","","","0.0542","0.0544","","","","","","1.095","","","","has coordinates","260788","2021-01-07","06:30:46",""
"7704480","17.475","0.003","15.809","0.002","17.557","0.003","90","","102.452","0.002","90","","4736.2","1.3","125","2","125.03","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 Bi Cl6 N3 P2 -","- C50 H42 Bi Cl6 N3 P2 -","- C200 H168 Bi4 Cl24 N12 P8 -","4","1","","Kindervater, Marcus B.; Hynes, Toren; Marczenko, Katherine M.; Chitnis, Saurabh S.","Squeezing Bi: PNP and P<sub>2</sub>N<sub>3</sub> pincer complexes of bismuth.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16072","16076","10.1039/d0dt01413c","","","0.71073","MoKα","","0.0968","0.0469","","","0.0836","0.099","","","","","","0.94","","","","has coordinates","260788","2021-01-07","06:30:46",""
"7704481","5.8838","0.0002","11.1708","0.0004","13.3912","0.0005","84.62","0.001","80.282","0.001","77.131","0.001","844.29","0.05","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N2 O Si -","- C18 H20 N2 O Si -","- C36 H40 N4 O2 Si2 -","2","1","","Hegarty, Isabel N.; Dalton, Hannah L.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Balancing connectivity with function in silver(i) networks of pyridyltriazole (tzpa) ligands results in the formation of a metallogel.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7364","7372","10.1039/d0dt01421d","","x-ray","0.71073","MoKα","","0.0392","0.0317","","","0.0776","0.0817","","","","","","1.038","","","","has coordinates","253872","2020-10-21","18:00:00",""
"7704482","17.0839","0.0018","9.833","0.0011","27.626","0.003","90","","92.821","0.002","90","","4635.2","0.9","100","2","99.99","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Ag F3 N6 O4 S -","- C22 H18 Ag F3 N6 O4 S -","- C176 H144 Ag8 F24 N48 O32 S8 -","8","2","","Hegarty, Isabel N.; Dalton, Hannah L.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Balancing connectivity with function in silver(i) networks of pyridyltriazole (tzpa) ligands results in the formation of a metallogel.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7364","7372","10.1039/d0dt01421d","","","0.71073","MoKα","","0.0918","0.0545","","","0.1191","0.1355","","","","","","1.009","","","","has coordinates","253872","2020-10-21","18:00:00",""
"7704483","14.781","0.002","19.903","0.002","6.1151","0.0006","90","","90","","90","","1799","0.4","100","2","99.99","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H18 N6 O -","- C21 H18 N6 O -","- C84 H72 N24 O4 -","4","1","","Hegarty, Isabel N.; Dalton, Hannah L.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Balancing connectivity with function in silver(i) networks of pyridyltriazole (tzpa) ligands results in the formation of a metallogel.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7364","7372","10.1039/d0dt01421d","","x-ray","1.54178","CuKα","","0.1011","0.0823","","","0.214","0.2264","","","","","","1.056","","","","has coordinates,has disorder","253872","2020-10-21","18:00:00",""
"7704484","10.6662","0.0007","15.8451","0.0012","19.6427","0.0015","90","","100.64","0.002","90","","3262.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 I2 Mn N6 O2 P2 -","- C24 H36 I2 Mn N6 O2 P2 -","- C96 H144 I8 Mn4 N24 O8 P8 -","4","1","","Bortoluzzi, Marco; Castro, Jesús; Gobbo, Alberto; Ferraro, Valentina; Pietrobon, Luca","Light harvesting indolyl-substituted phosphoramide ligand for the enhancement of Mn(ii) luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7525","7534","10.1039/d0dt01659d","","","0.71073","MoKα","","0.028","0.0234","","","0.0509","0.0522","","","","","","1.09","","","","has coordinates","253883","2020-10-21","18:00:00",""
"7704485","10.35","0.0008","15.745","0.0013","18.6481","0.0014","90","","99.437","0.002","90","","2997.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Cl2 Mn N6 O2 P2 -","- C24 H36 Cl2 Mn N6 O2 P2 -","- C96 H144 Cl8 Mn4 N24 O8 P8 -","4","1","","Bortoluzzi, Marco; Castro, Jesús; Gobbo, Alberto; Ferraro, Valentina; Pietrobon, Luca","Light harvesting indolyl-substituted phosphoramide ligand for the enhancement of Mn(ii) luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7525","7534","10.1039/d0dt01659d","","","0.71073","MoKα","","0.0974","0.0514","","","0.084","0.0959","","","","","","1.01","","","","has coordinates","253883","2020-10-21","18:00:00",""
"7704486","10.4594","0.0005","15.7962","0.0008","19.0025","0.0009","90","","99.319","0.002","90","","3098.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Br2 Mn N6 O2 P2 -","- C24 H36 Br2 Mn N6 O2 P2 -","- C96 H144 Br8 Mn4 N24 O8 P8 -","4","1","","Bortoluzzi, Marco; Castro, Jesús; Gobbo, Alberto; Ferraro, Valentina; Pietrobon, Luca","Light harvesting indolyl-substituted phosphoramide ligand for the enhancement of Mn(ii) luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7525","7534","10.1039/d0dt01659d","","","0.71073","MoKα","","0.038","0.0302","","","0.0655","0.068","","","","","","1.055","","","","has coordinates","253883","2020-10-21","18:00:00",""
"7704487","17.676","0.009","13.168","0.007","22.406","0.012","90","","90.934","0.008","90","","5214","5","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H78 Dy F N12 O12 -","- C34 H78 Dy F N12 O12 -","- C136 H312 Dy4 F4 N48 O48 -","4","1","","Ling, Bo-Kai; Zhai, Yuan-Qi; Han, Junbo; Han, Tian; Zheng, Yan-Zhen","A stable dysprosium(iii) complex with a terminal fluoride ligand showing high resolution luminescence and slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6969","6973","10.1039/d0dt01146k","","","0.71073","MoKα","","0.0632","0.0443","","","0.1097","0.1233","","","","","","1.031","","","","has coordinates,has disorder","252827","2020-10-21","18:00:00",""
"7704488","17.739","0.007","13.289","0.005","22.613","0.008","90","","91.047","0.005","90","","5330","3","400","","400","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H78 Dy F N12 O12 -","- C34 H78 Dy F N12 O12 -","- C136 H312 Dy4 F4 N48 O48 -","4","1","","Ling, Bo-Kai; Zhai, Yuan-Qi; Han, Junbo; Han, Tian; Zheng, Yan-Zhen","A stable dysprosium(iii) complex with a terminal fluoride ligand showing high resolution luminescence and slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6969","6973","10.1039/d0dt01146k","","x-ray","0.71073","MoKα","","0.1008","0.0464","","","0.1083","0.1348","","","","","","1.001","","","","has coordinates,has disorder","252827","2020-10-21","18:00:00",""
"7704489","17.87","0.07","13.4","0.05","22.78","0.1","90","","91.02","0.03","90","","5454","4","473","","473","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H78 Dy F N12 O12 -","- C34 H78 Dy F N12 O12 -","- C136 H312 Dy4 F4 N48 O48 -","4","1","","Ling, Bo-Kai; Zhai, Yuan-Qi; Han, Junbo; Han, Tian; Zheng, Yan-Zhen","A stable dysprosium(iii) complex with a terminal fluoride ligand showing high resolution luminescence and slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6969","6973","10.1039/d0dt01146k","","x-ray","0.71073","MoKα","","0.1584","0.0774","","","0.2095","0.29","","","","","","1.026","","","","has coordinates,has disorder","252827","2020-10-21","18:00:00",""
"7704490","17.7637","0.0006","13.2461","0.0004","22.5542","0.0007","90","","90.957","0.002","90","","5306.3","0.3","293","2","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H78 Dy F N12 O12 -","- C33.9999 H77.9997 Dy F N12 O12 -","- C136 H311.999 Dy4 F4 N48 O48 -","4","1","","Ling, Bo-Kai; Zhai, Yuan-Qi; Han, Junbo; Han, Tian; Zheng, Yan-Zhen","A stable dysprosium(iii) complex with a terminal fluoride ligand showing high resolution luminescence and slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6969","6973","10.1039/d0dt01146k","","x-ray","0.71073","MoKα","","0.075","0.0419","","","0.1151","0.142","","","","","","1.046","","","","has coordinates,has disorder","252827","2020-10-21","18:00:00",""
"7704491","11.5572","0.0006","11.7407","0.0006","16.9501","0.0008","100.184","0.002","93.978","0.002","102.322","0.002","2197.81","0.19","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C51.4 H54.5 Cl0.1 N3 Ni O2.9 P2 -","- C51.4 H54.5 Cl0.1 N3 Ni O2.9 P2 -","- C102.8 H109 Cl0.2 N6 Ni2 O5.8 P4 -","2","1","","Xing, Xiujing; Zhang, Shaoguang; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Reversible nickel-metallacycle formation with a phosphinimine-based pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7796","7806","10.1039/d0dt01118e","","","0.71073","MoKα","","0.0528","0.0406","","","0.0835","0.0892","","","","","","1.073","","","","has coordinates,has disorder","253918","2020-10-21","18:00:00",""
"7704492","10.7438","0.0003","12.7981","0.0004","14.4155","0.0005","69.677","0.001","83.88","0.001","74.497","0.001","1790.91","0.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H40 N3 Na Ni O P2 -","- C42 H40 N3 Na Ni O P2 -","- C84 H80 N6 Na2 Ni2 O2 P4 -","2","1","","Xing, Xiujing; Zhang, Shaoguang; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Reversible nickel-metallacycle formation with a phosphinimine-based pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7796","7806","10.1039/d0dt01118e","","","0.71073","MoKα","","0.0649","0.0421","","","0.0743","0.0815","","","","","","1.024","","","","has coordinates","253918","2020-10-21","18:00:00",""
"7704493","10.0629","0.0004","12.4737","0.0005","15.2136","0.0006","74.272","0.002","87.324","0.002","79.697","0.002","1808.5","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H41 N3 Ni P2 -","- C45 H41 N3 Ni P2 -","- C90 H82 N6 Ni2 P4 -","2","1","","Xing, Xiujing; Zhang, Shaoguang; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Reversible nickel-metallacycle formation with a phosphinimine-based pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7796","7806","10.1039/d0dt01118e","","","0.71073","MoKα","","0.0537","0.0393","","","0.0819","0.088","","","","","","1.062","","","","has coordinates","253918","2020-10-21","18:00:00",""
"7704494","8.8277","0.0006","26.5464","0.0018","17.2437","0.0011","90","","94.715","0.003","90","","4027.3","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H45 N5 Ni P2 -","- C49 H45 N5 Ni P2 -","- C196 H180 N20 Ni4 P8 -","4","1","","Xing, Xiujing; Zhang, Shaoguang; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Reversible nickel-metallacycle formation with a phosphinimine-based pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7796","7806","10.1039/d0dt01118e","","","0.71073","MoKα","","0.0926","0.0745","","","0.1625","0.1691","","","","","","1.246","","","","has coordinates","253918","2020-10-21","18:00:00",""
"7704495","19.286","0.0011","12.0279","0.0007","29.6486","0.0014","90","","119.834","0.003","90","","5966.1","0.6","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C90 H176 Co4 Dy4 N2 O46 -","- C90 H176 Co4 Dy4 N2 O46 -","- C180 H352 Co8 Dy8 N4 O92 -","2","0.5","","Basak, Dipmalya; van Leusen, Jan; Gupta, Tulika; Kögerler, Paul; Ray, Debashis","Synthetic diversity and change in nuclearity in [Co-Dy] coordination aggregates: bridge removal, solvent induced structural reorganization and AC susceptibility measurements.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7576","7591","10.1039/d0dt01728k","","","0.71073","MoKα","","0.0735","0.048","","","0.1143","0.1248","","","","","","1.073","","","","has coordinates","253886","2020-10-21","18:00:00",""
"7704496","18.8939","0.0015","12.3083","0.0011","27.25","0.002","90","","107.951","0.004","90","","6028.6","0.9","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C82 H160 Co4 Dy4 N2 O44 -","- C82 H152 Co4 Dy4 N2 O44 -","- C164 H304 Co8 Dy8 N4 O88 -","2","0.5","","Basak, Dipmalya; van Leusen, Jan; Gupta, Tulika; Kögerler, Paul; Ray, Debashis","Synthetic diversity and change in nuclearity in [Co-Dy] coordination aggregates: bridge removal, solvent induced structural reorganization and AC susceptibility measurements.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7576","7591","10.1039/d0dt01728k","","","0.71073","MoKα","","0.0998","0.0672","","","0.1601","0.1773","","","","","","1.074","","","","has coordinates","253886","2020-10-21","18:00:00",""
"7704497","17.4581","0.0011","21.4285","0.0014","23.3399","0.0014","90","","90","","90","","8731.5","0.9","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C70 H114 Co4 Dy2 N2 O28 -","- C70 H114 Co4 Dy2 N2 O28 -","- C280 H456 Co16 Dy8 N8 O112 -","4","0.5","","Basak, Dipmalya; van Leusen, Jan; Gupta, Tulika; Kögerler, Paul; Ray, Debashis","Synthetic diversity and change in nuclearity in [Co-Dy] coordination aggregates: bridge removal, solvent induced structural reorganization and AC susceptibility measurements.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7576","7591","10.1039/d0dt01728k","","","0.71073","MoKα","","0.0682","0.0332","","","0.0631","0.0725","","","","","","0.979","","","","has coordinates","253886","2020-10-21","18:00:00",""
"7704498","21.347","0.009","22.304","0.009","34.107","0.014","96.042","0.005","91.353","0.005","112.889","0.005","14840","11","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C268 H256 Ag30 Cu14 P4 S28 -","- C268 H256 Ag30 Cu14 P4 S28 -","- C536 H512 Ag60 Cu28 P8 S56 -","2","1","","Li, Jiale; Li, Hao; Yu, Haizhu; Chai, Jinsong; Li, Qinzhen; Song, Yongbo; Zhang, Zhongjie; Zhu, Manzhou","A novel geometric structure of a nanocluster with an irregular kernel: Ag<sub>30</sub>Cu<sub>14</sub>(TPP)<sub>4</sub>(SR)<sub>28</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7684","7687","10.1039/d0dt01142h","","","0.71073","MoKα","","0.1625","0.103","","","0.2839","0.3203","","","","","","1.043","","","","has coordinates","253916","2020-10-21","18:00:00",""
"7704499","17.002","0.004","17.002","0.004","17.32","0.004","90","","90","","90","","5007","2","173","","173","","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C23.5 H29.75 Co N5.25 O3 P -","- C23.5 H29.75 Co N5.25 O3 P -","- C188 H238 Co8 N42 O24 P8 -","8","1","","Cabelof, Alyssa C.; Carta, Veronica; Chen, Chun-Hsing; Caulton, Kenneth G.","Nitrogen oxyanion reduction by Co(ii) augmented by a proton responsive ligand: recruiting multiple metals.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7891","7896","10.1039/d0dt01298j","","","0.71073","MoKα","","0.1382","0.0756","","","0.1529","0.1762","","","","","","1.058","","","","has coordinates,has disorder","253921","2020-10-21","18:00:00",""
"7704500","17.203","0.004","13.355","0.004","12.931","0.003","90","","90.797","0.008","90","","2970.6","1.3","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Cl2 Co N6 O6 P -","- C24 H33 Cl2 Co N6 O6 P -","- C96 H132 Cl8 Co4 N24 O24 P4 -","4","1","","Cabelof, Alyssa C.; Carta, Veronica; Chen, Chun-Hsing; Caulton, Kenneth G.","Nitrogen oxyanion reduction by Co(ii) augmented by a proton responsive ligand: recruiting multiple metals.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7891","7896","10.1039/d0dt01298j","","","0.71073","MoKα","","0.1925","0.104","","","0.258","0.3087","","","","","","1.027","","","","has coordinates,has disorder","253921","2020-10-21","18:00:00",""
"7704501","17.0816","0.00003","21.4257","0.00003","16.5137","0.00003","90","","104.073","0.003","90","","5862.38","0.08","153","","153","","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","","PNN2Co3NO26","","- C48 H61 Co3 N13 O12 P2 -","- C48 H61 Co3 N13 O12 P2 -","- C192 H244 Co12 N52 O48 P8 -","4","1","","Cabelof, Alyssa C.; Carta, Veronica; Chen, Chun-Hsing; Caulton, Kenneth G.","Nitrogen oxyanion reduction by Co(ii) augmented by a proton responsive ligand: recruiting multiple metals.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7891","7896","10.1039/d0dt01298j","","","0.71073","MoKα","","0.0808","0.049","","0.1633","0.1322","0.1564","","","","","","0.8051","","","","has coordinates","253921","2020-10-21","18:00:00",""
"7704502","10.16","0.0007","14.1135","0.0009","21.9573","0.0014","90","","97.56","0.006","90","","3121.2","0.4","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C33 H21 Cd N7 O6 S2 -","- C33 H21 Cd N7 O6 S2 -","- C132 H84 Cd4 N28 O24 S8 -","4","0.5","","Icsel, Ceyda; Yilmaz, Veysel T.; Aydinlik, Seyma; Aygun, Muhittin","Zn(ii), Cd(ii) and Hg(ii) saccharinate complexes with 2,6-bis(2-benzimidazolyl)pyridine as promising anticancer agents in breast and lung cancer cell lines via ROS-induced apoptosis.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7842","7851","10.1039/d0dt01535k","","x-ray","0.71073","MoKα","","0.0502","0.0349","","","0.0702","0.0761","","","","","","1.071","","","","has coordinates","253908","2020-10-21","18:00:00",""
"7704503","10.2014","0.0006","14.2651","0.0007","21.9691","0.0012","90","","97.393","0.006","90","","3170.5","0.3","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C33 H21 Hg N7 O6 S2 -","- C33 H21 Hg N7 O6 S2 -","- C132 H84 Hg4 N28 O24 S8 -","4","0.5","","Icsel, Ceyda; Yilmaz, Veysel T.; Aydinlik, Seyma; Aygun, Muhittin","Zn(ii), Cd(ii) and Hg(ii) saccharinate complexes with 2,6-bis(2-benzimidazolyl)pyridine as promising anticancer agents in breast and lung cancer cell lines via ROS-induced apoptosis.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7842","7851","10.1039/d0dt01535k","","x-ray","0.71073","MoKα","","0.0433","0.0337","","","0.0646","0.0686","","","","","","1.031","","","","has coordinates","253908","2020-10-21","18:00:00",""
"7704504","10.1938","0.0005","12.5434","0.0009","19.5581","0.0014","88.57","0.006","82.144","0.005","76.167","0.005","2405.4","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H38 N12 O8 S2 Zn -","- C52 H38 N12 O8 S2 Zn -","- C104 H76 N24 O16 S4 Zn2 -","2","1","","Icsel, Ceyda; Yilmaz, Veysel T.; Aydinlik, Seyma; Aygun, Muhittin","Zn(ii), Cd(ii) and Hg(ii) saccharinate complexes with 2,6-bis(2-benzimidazolyl)pyridine as promising anticancer agents in breast and lung cancer cell lines via ROS-induced apoptosis.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7842","7851","10.1039/d0dt01535k","","x-ray","0.71073","MoKα","","0.0756","0.0472","","","0.0879","0.1","","","","","","1.011","","","","has coordinates","253908","2020-10-21","18:00:00",""
"7704505","10.126","0.003","15.384","0.003","16.655","0.003","97.07","0.04","98.7","0.03","102.69","0.03","2468.9","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","Iodo-(2,9-dimethyl-1,10-phenanthroline-N,N')-(1-[4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]methyl)bis(phenyl)phosphine-P)-copper(I)","","- C51 H49 Cl2 Cu I N6 O3 P -","- C51 H49 Cl2 Cu I N6 O3 P -","- C102 H98 Cl4 Cu2 I2 N12 O6 P2 -","2","1","","Starosta, Radosław; de Almeida, Rodrigo F. M.; Puchalska, Małgorzata; Białońska, Agata; Panek, Jarosław J; Jezierska, Aneta; Szmigiel, Ida; Suchodolski, Jakub; Krasowska, Anna","New anticandidal Cu(i) complexes with neocuproine and ketoconazole derived diphenyl(aminomethyl)phosphane: luminescence properties for detection in fungal cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8528","8539","10.1039/d0dt01162b","","","0.71073","MoKα","","0.2275","0.0915","","","0.1633","0.2284","","","","","","0.969","","","","has coordinates","253895","2020-10-21","18:00:00",""
"7704506","12.9566","0.0004","29.5914","0.0008","16.6475","0.0005","90","","90.824","0.003","90","","6382.1","0.3","107","6","107","6","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C55 H73 B Mo N3 Na O16 P6 -","- C55 H73 B Mo N3 Na O16 P6 -","- C220 H292 B4 Mo4 N12 Na4 O64 P24 -","4","1","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.1108","0.074","","","0.1282","0.1432","","","","","","1.06","","","","has coordinates","253867","2020-10-21","18:00:00",""
"7704507","11.0367","0.0003","19.6039","0.0007","15.6787","0.0006","90","","93.44","0.003","90","","3386.2","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 Mo N3 O7 P6 Ti -","- C30 H25 Mo N3 O7 P6 Ti -","- C120 H100 Mo4 N12 O28 P24 Ti4 -","4","1","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.1032","0.0563","","","0.0825","0.0926","","","","","","0.976","","","","has coordinates,has disorder","253867","2020-10-21","18:00:00",""
"7704508","59.1004","0.0011","34.6994","0.0006","12.38327","0.00019","90","","90","","90","","25395","0.8","106.05","0.13","106.05","0.13","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C22.36 H35.49 Cl2.75 Mo N3 O4 P3 -","- C22.361 H34.682 Cl2.742 Mo N3 O4 P3 -","- C715.552 H1109.82 Cl87.744 Mo32 N96 O128 P96 -","32","2","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.0503","0.0471","","","0.1077","0.1093","","","","","","1.096","","","","has coordinates,has disorder","253867","2020-10-21","18:00:00",""
"7704509","8.6804","0.0003","11.7969","0.0005","12.7633","0.0005","112.956","0.004","104.532","0.003","93.858","0.003","1144.81","0.09","105","1","105","1","","","","","","","","5","P -1","-P 1","2","","tris([1,3,4]azadiphospholo[1,2-a]pyridin-3-yl) phosphate","","- C18 H12 N3 O4 P7 -","- C18 H12 N3 O4 P7 -","- C36 H24 N6 O8 P14 -","2","1","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.0707","0.0589","","","0.1086","0.1129","","","","","","1.179","","","","has coordinates,has disorder","253867","2020-10-21","18:00:00",""
"7704510","12.9086","0.0007","24.9553","0.0013","13.7959","0.0007","90","","108.117","0.001","90","","4223.9","0.4","99","2","99.55","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C62 H88 Cl4 N6 Na2 O18 P12 Ti -","- C62 H88 Cl4 N6 Na2 O18 P12 Ti -","- C124 H176 Cl8 N12 Na4 O36 P24 Ti2 -","2","0.5","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.0696","0.0374","","","0.0642","0.071","","","","","","0.906","","","","has coordinates","253867","2020-10-21","18:00:00",""
"7704511","33.7644","0.0014","12.0728","0.0006","11.6209","0.0005","90","","90","","90","","4737","0.4","106","9","106","9","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C36.46 H44.9 B N3 Na O7.4 P6 -","- C36.46 H44.9079 B N3 Na O7.4043 P6 -","- C145.84 H179.632 B4 N12 Na4 O29.6172 P24 -","4","1","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.1366","0.1122","","","0.2802","0.3057","","","","","","1.059","","","","has coordinates,has disorder","253867","2020-10-21","18:00:00",""
"7704512","12.9301","0.0004","11.3677","0.0004","29.4791","0.0017","90","","90","","90","","4333","0.3","104.79","0.12","104.79","0.12","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-([1,3,4]azadiphospholo[1,2-a]pyridin-3-yloxy)-N,N,N',N'-tetraisopropylphosphanediamine","","- C18 H32 N3 O P3 -","- C18 H32 N3 O P3 -","- C144 H256 N24 O8 P24 -","8","1","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.0484","0.0396","","","0.0844","0.0881","","","","","","1.113","","","","has coordinates","253867","2020-10-21","18:00:00",""
"7704513","28.4804","0.001","18.1858","0.0006","16.884","0.0004","90","","90","","90","","8744.9","0.5","106.48","0.14","106.48","0.14","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39 H41 Mo N3 O9 P6 Si -","- C39 H41 Mo N3 O9 P6 Si -","- C312 H328 Mo8 N24 O72 P48 Si8 -","8","1","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.1227","0.0972","","","0.1556","0.1639","","","","","","1.335","","","","has coordinates","253867","2020-10-21","18:00:00",""
"7704514","13.1587","0.0002","20.1174","0.0003","24.1036","0.0004","90","","90","","90","","6380.68","0.17","104.7","1","104.7","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Titanium(tris(1,3,4-azadiphospholo-1,2-pyridin-3-olate))-cyclopentadiene","","- C30 H25 N3 O3 P6 Ti -","- C30 H25 N3 O3 P6 Ti -","- C240 H200 N24 O24 P48 Ti8 -","8","2","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.0638","0.0521","","","0.1083","0.1141","","","","","","1.048","","","","has coordinates","253867","2020-10-21","18:00:00",""
"7704515","7.4263","0.0003","15.2635","0.0008","26.3095","0.0015","90","","92.364","0.004","90","","2979.7","0.3","104.6","0.2","104.6","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 Cl2 N3 O3 P6 Ti -","- C24 H19 Cl2 N3 O3 P6 Ti -","- C96 H76 Cl8 N12 O12 P24 Ti4 -","4","1","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.099","0.0671","","","0.1633","0.1938","","","","","","1.068","","","","has coordinates","253867","2020-10-21","18:00:00",""
"7704516","13.1135","0.0003","13.1212","0.0004","16.9409","0.0004","83.345","0.002","68.758","0.002","60.501","0.003","2357.65","0.13","104","2","104","2","","","","","","","","9","P -1","-P 1","2","","","","- C68 H87.86 Cl3.92 Hf Mo2 N6 Na2 O24 P12 -","- C68 H87.868 Cl3.92 Hf Mo2 N6 Na2 O24 P12 -","- C68 H87.868 Cl3.92 Hf Mo2 N6 Na2 O24 P12 -","1","0.5","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.0253","0.023","","","0.0529","0.0538","","","","","","1.032","","","","has coordinates,has disorder","253867","2020-10-21","18:00:00",""
"7704517","15.9451","0.0003","13.2815","0.0002","18.8611","0.0005","90","","90.052","0.003","90","","3994.3","0.14","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H84 Hf N6 Na2 O18 P12 -","- C60 H84 Hf N6 Na2 O18 P12 -","- C120 H168 Hf2 N12 Na4 O36 P24 -","2","0.5","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","","0.71073","MoKα","","0.0569","0.0415","","","0.0723","0.0778","","","","","","1.032","","","","has coordinates","253867","2020-10-21","18:00:00",""
"7704518","15.7174","0.0006","18.1192","0.0006","18.6203","0.0007","97.658","0.001","95.1","0.001","110.333","0.001","4875.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C286 H398 N54 O54 Pd2 -","- C166 H118 N14 O14 Pd2 -","- C166 H118 N14 O14 Pd2 -","1","0.5","","Li, Chenyang; Zhang, Beilin; Dong, Yunhong; Li, Yawen; Wang, Pinpin; Yu, Yang; Cheng, Lin; Cao, Liping","A tetraphenylethene-based Pd<sub>2</sub>L<sub>4</sub> metallacage with aggregation-induced emission and stimuli-responsive behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8051","8055","10.1039/d0dt00469c","","","0.71073","MoKα","","0.0497","0.0447","","","0.134","0.138","","","","","","1.097","","","","has coordinates,has disorder","253858","2020-10-21","18:00:00",""
"7704519","17.1299","0.0008","10.2595","0.0004","17.7663","0.0011","90","","113.637","0.001","90","","2860.4","0.2","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 N2 -","- C40 H26 N2 -","- C160 H104 N8 -","4","0.5","","Li, Chenyang; Zhang, Beilin; Dong, Yunhong; Li, Yawen; Wang, Pinpin; Yu, Yang; Cheng, Lin; Cao, Liping","A tetraphenylethene-based Pd<sub>2</sub>L<sub>4</sub> metallacage with aggregation-induced emission and stimuli-responsive behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8051","8055","10.1039/d0dt00469c","","","0.71073","MoKα","","0.0535","0.0399","","","0.0946","0.1045","","","","","","1.057","","","","has coordinates","253858","2020-10-21","18:00:00",""
"7704520","10.5587","0.0001","12.7258","0.0001","16.3375","0.0002","96.606","0.001","107.201","0.001","93.562","0.001","2072.41","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H45 Au2 Cl S2 Si3 -","- C43 H45 Au2 Cl S2 Si3 -","- C86 H90 Au4 Cl2 S4 Si6 -","2","1","","Sugamata, Koh; Urao, Yukiko; Minoura, Mao","(Thio)(silyl)carbene and (seleno)(silyl)carbene gold(i) complexes from the reaction of bis(methylene)-λ<sup>4</sup>-sulfane and bis(methylene)-λ<sup>4</sup>-selane with chloro(dimethylsulfide)gold(i).","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7688","7691","10.1039/d0dt00967a","","","0.4118","synchrotron","","0.0215","0.0208","","","0.0558","0.0562","","","","","","1.068","","","","has coordinates","253905","2020-10-21","18:00:00",""
"7704521","10.7306","0.0002","12.7719","0.0003","16.3141","0.0003","96.455","0.002","107.896","0.002","93.832","0.002","2102","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H45 Au2 Cl S Se Si3 -","- C43 H45 Au2 Cl S Se Si3 -","- C86 H90 Au4 Cl2 S2 Se2 Si6 -","2","1","","Sugamata, Koh; Urao, Yukiko; Minoura, Mao","(Thio)(silyl)carbene and (seleno)(silyl)carbene gold(i) complexes from the reaction of bis(methylene)-λ<sup>4</sup>-sulfane and bis(methylene)-λ<sup>4</sup>-selane with chloro(dimethylsulfide)gold(i).","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7688","7691","10.1039/d0dt00967a","","","0.4119","synchrotron","","0.0196","0.0191","","","0.0547","0.055","","","","","","1.053","","","","has coordinates","253905","2020-10-21","18:00:00",""
"7704522","13.1607","0.0014","11.9411","0.0012","19.722","0.002","90","","107.396","0.004","90","","2957.6","0.5","193","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 N4 O12 P2 Zn3 -","- C58 H60 N4 O12 P2 Zn3 -","- C116 H120 N8 O24 P4 Zn6 -","2","0.5","","Wang, Xiaoming; Chang, Kejian; Xu, Xin","Hydroboration of carbon dioxide enabled by molecular zinc dihydrides.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7324","7327","10.1039/d0dt01090a","","","0.71073","MoKα","","0.1055","0.0464","","","0.0822","0.0985","","","","","","1.014","","","","has coordinates","253875","2020-10-21","18:00:00",""
"7704523","21.0915","0.001","10.6678","0.0004","40.3216","0.0018","90","","104.462","0.002","90","","8784.9","0.7","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H61 N2 O2 P Zn -","- C50 H61 N2 O2 P Zn -","- C400 H488 N16 O16 P8 Zn8 -","8","2","","Wang, Xiaoming; Chang, Kejian; Xu, Xin","Hydroboration of carbon dioxide enabled by molecular zinc dihydrides.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7324","7327","10.1039/d0dt01090a","","","0.71073","MoKα","","0.0653","0.0391","","","0.0862","0.1008","","","","","","1.071","","","","has coordinates,has disorder","253875","2020-10-21","18:00:00",""
"7704524","12.1891","0.0001","10.5285","0.0001","19.6792","0.0001","90","","108.011","0.001","90","","2401.73","0.04","150","0.1","150","0.1","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C48 H52 B Br N8 O2 P2 Pt W -","- C48 H52 B Br N8 O2 P2 Pt W -","- C96 H104 B2 Br2 N16 O4 P4 Pt2 W2 -","2","1","","Burt, Liam K.; Hill, Anthony F.","Heterobimetallic μ<sub>2</sub>-carbido complexes of platinum and tungsten.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8143","8161","10.1039/d0dt01617a","","x-ray","1.54184","CuKα","","0.0272","0.0271","","","0.0732","0.0733","","","","","","1.049","","","","has coordinates","253868","2020-10-21","18:00:00",""
"7704525","9.5287","0.0002","16.3575","0.0004","18.2918","0.0002","84.892","0.002","78.583","0.002","85.769","0.002","2778.94","0.1","150","0.1","150","0.1","","","","","","","","10","P -1","-P 1","2","","","","- C48 H47 B Cl6 F6 N8 O2 P2 Pt W -","- C48 H47 B Cl6 F6 N8 O2 P2 Pt W -","- C96 H94 B2 Cl12 F12 N16 O4 P4 Pt2 W2 -","2","1","","Burt, Liam K.; Hill, Anthony F.","Heterobimetallic μ<sub>2</sub>-carbido complexes of platinum and tungsten.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8143","8161","10.1039/d0dt01617a","","x-ray","1.54184","CuKα","","0.0527","0.0445","","","0.1158","0.1252","","","","","","1.042","","","","has coordinates","253868","2020-10-21","18:00:00",""
"7704526","10.1322","0.0006","14.7017","0.0008","19.3416","0.0007","103.794","0.004","102.422","0.004","106.487","0.005","2556.3","0.3","150","0.1","150","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C47 H54 B2 Cl3 N10 O2 P Pt W -","- C47 H54 B2 Cl3 N10 O2 P Pt W -","- C94 H108 B4 Cl6 N20 O4 P2 Pt2 W2 -","2","1","","Burt, Liam K.; Hill, Anthony F.","Heterobimetallic μ<sub>2</sub>-carbido complexes of platinum and tungsten.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8143","8161","10.1039/d0dt01617a","","x-ray","1.54184","CuKα","","0.0722","0.0484","","","0.1137","0.1274","","","","","","1.03","","","","has coordinates","253868","2020-10-21","18:00:00",""
"7704527","11.6701","0.0003","11.7291","0.0004","21.3711","0.0007","79.857","0.003","86.505","0.002","75.021","0.002","2781.34","0.15","150","0.1","150","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C54 H61 B F6 N8 O2 P2 Pt W -","- C54 H61 B F6 N8 O2 P2 Pt W -","- C108 H122 B2 F12 N16 O4 P4 Pt2 W2 -","2","1","","Burt, Liam K.; Hill, Anthony F.","Heterobimetallic μ<sub>2</sub>-carbido complexes of platinum and tungsten.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8143","8161","10.1039/d0dt01617a","","x-ray","0.71073","MoKα","","0.0397","0.0308","","","0.058","0.0614","","","","","","1.135","","","","has coordinates","253868","2020-10-21","18:00:00",""
"7704528","10.8902","0.0002","15.0338","0.0004","17.0497","0.0004","71.254","0.002","79.943","0.002","82.947","0.002","2596.04","0.11","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C51 H59 B2 N12 O2 P Pt W -","- C51 H59 B2 N12 O2 P Pt W -","- C102 H118 B4 N24 O4 P2 Pt2 W2 -","2","1","","Burt, Liam K.; Hill, Anthony F.","Heterobimetallic μ<sub>2</sub>-carbido complexes of platinum and tungsten.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8143","8161","10.1039/d0dt01617a","","x-ray","1.54184","CuKα","","0.0235","0.0222","","","0.0572","0.0581","","","","","","1.068","","","","has coordinates","253868","2020-10-21","18:00:00",""
"7704529","11.8325","0.001","12.641","0.0005","18.1325","0.0007","74.259","0.004","82.64","0.005","76.417","0.005","2531.4","0.3","150","0.1","150","0.1","","","","","","","","10","P -1","-P 1","2","","","","- C45 H48 B2 Cl3 N10 O2 P Pt S2 W -","- C45 H48 B2 Cl3 N10 O2 P Pt S2 W -","- C90 H96 B4 Cl6 N20 O4 P2 Pt2 S4 W2 -","2","1","","Burt, Liam K.; Hill, Anthony F.","Heterobimetallic μ<sub>2</sub>-carbido complexes of platinum and tungsten.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8143","8161","10.1039/d0dt01617a","","x-ray","1.54184","CuKα","","0.1056","0.0613","","","0.1371","0.1626","","","","","","1.058","","","","has coordinates,has disorder","253868","2020-10-21","18:00:00",""
"7704530","12.5263","0.0002","12.939","0.0002","13.8769","0.0002","76.435","0.001","89.141","0.001","82.519","0.001","2167.5","0.06","150","0.1","150","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C41 H47 B N7 O2 P Pt S2 W -","- C41 H47 B N7 O2 P Pt S2 W -","- C82 H94 B2 N14 O4 P2 Pt2 S4 W2 -","2","1","","Burt, Liam K.; Hill, Anthony F.","Heterobimetallic μ<sub>2</sub>-carbido complexes of platinum and tungsten.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8143","8161","10.1039/d0dt01617a","","x-ray","1.54184","CuKα","","0.0306","0.0273","","","0.0682","0.0709","","","","","","1.039","","","","has coordinates","253868","2020-10-21","18:00:00",""
"7704531","42.7794","0.0012","10.397","0.0003","20.4764","0.0007","90","","94.581","0.003","90","","9078.3","0.5","150","0.1","150","0.1","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C44 H46 B Br Mo N6 O2 P2 Pt -","- C44 H46 B Br Mo N6 O2 P2 Pt -","- C352 H368 B8 Br8 Mo8 N48 O16 P16 Pt8 -","8","1","","Burt, Liam K.; Hill, Anthony F.","Heterobimetallic μ<sub>2</sub>-carbido complexes of platinum and tungsten.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8143","8161","10.1039/d0dt01617a","","x-ray","0.71073","MoKα","","0.0564","0.043","","","0.0875","0.0929","","","","","","1.109","","","","has coordinates","253868","2020-10-21","18:00:00",""
"7704532","8.5849","0.0002","10.7515","0.0002","29.4255","0.0005","90","","90","","90","","2715.99","0.09","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","((1R,2S)-1-(((E)-(2-((((S)-1-Benzyl-2-pyrrolidinyl)carbonyl)amino)-phenyl)-(phenyl)methylidene)amine)-2-(methoxycarbonyl)cyclopropanecarboxylato-N,N',N'',O)-nickel(ii)","","- C31 H29 N3 Ni O5 -","- C31 H29 N3 Ni O5 -","- C124 H116 N12 Ni4 O20 -","4","1","","Levitskiy, Oleg A.; Aglamazova, Olga I.; Grishin, Yuri K.; Paseshnichenko, Ksenia A.; Soloshonok, Vadim A.; Moriwaki, Hiroki; Magdesieva, Tatiana V.","Solvent-triggered stereoselectivity of α,α-cyclopropanation of amino acids in the Ni(ii) chiral coordination environment.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8636","8644","10.1039/d0dt01578d","","","1.54186","CuKα","","0.0664","0.0629","","","0.1799","0.184","","","","","","1.09","","","","has coordinates","253892","2020-10-21","18:00:00",""
"7704533","10.7157","0.0003","14.5951","0.0004","15.6241","0.0005","90","","109.162","0.001","90","","2308.17","0.12","187","2","187","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H29 Cl2 Mn N5 O8 -","- C17 H29 Cl2 Mn N5 O8 -","- C68 H116 Cl8 Mn4 N20 O32 -","4","1","","Zahradníková, Eva; Herchel, Radovan; Šalitroš, Ivan; Císařová, Ivana; Drahoš, Bohuslav","Late first-row transition metal complexes of a 17-membered piperazine-based macrocyclic ligand: structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9057","9069","10.1039/d0dt01392g","","","0.71073","MoKα","","0.0359","0.03","","","0.081","0.0832","","","","","","1.039","","","","has coordinates","254997","2020-10-21","18:00:00",""
"7704534","13.7424","0.0004","11.1169","0.0003","34.3592","0.001","90","","94.547","0.001","90","","5232.6","0.3","187","2","187","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H33.5 Cl2 Fe N6.5 O8 -","- C20 H33.5 Cl2 Fe N6.5 O8 -","- C160 H268 Cl16 Fe8 N52 O64 -","8","2","","Zahradníková, Eva; Herchel, Radovan; Šalitroš, Ivan; Císařová, Ivana; Drahoš, Bohuslav","Late first-row transition metal complexes of a 17-membered piperazine-based macrocyclic ligand: structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9057","9069","10.1039/d0dt01392g","","","0.71073","MoKα","","0.0531","0.0483","","","0.1248","0.1277","","","","","","1.037","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7704535","13.7377","0.0005","11.0795","0.0004","34.2895","0.0013","90","","94.086","0.001","90","","5205.8","0.3","187","2","187","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19.87 H33.31 Cl2 Co N6.44 O8 -","- C19.8729 H33.3094 Cl2 Co N6.43645 O8 -","- C158.983 H266.475 Cl16 Co8 N51.4916 O64 -","8","2","","Zahradníková, Eva; Herchel, Radovan; Šalitroš, Ivan; Císařová, Ivana; Drahoš, Bohuslav","Late first-row transition metal complexes of a 17-membered piperazine-based macrocyclic ligand: structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9057","9069","10.1039/d0dt01392g","","","0.71073","MoKα","","0.0491","0.0453","","","0.1132","0.1154","","","","","","1.02","","","","has coordinates,has disorder","254997","2020-10-21","18:00:00",""
"7704536","8.833","0.005","18.065","0.005","18.265","0.005","90","","94.564","0.005","90","","2905","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 N3 P Si -","- C28 H46 N3 P Si -","- C112 H184 N12 P4 Si4 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Laglera-Gándara, Carlos J; Pérez-Carreño, Enrique","Phosphane-functionalized heavier tetrylenes: synthesis of silylene- and germylene-decorated phosphanes and their reactions with Group 10 metal complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8331","8339","10.1039/d0dt01727b","","","0.71073","MoKα","","0.0502","0.0384","","","0.093","0.0985","","","","","","1.056","","","","has coordinates","253854","2020-10-21","18:00:00",""
"7704537","18.2783","0.0004","10.5426","0.0002","18.3984","0.0004","90","","94.109","0.002","90","","3536.27","0.13","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 Cl2 N3 O P Pd Si -","- C32 H54 Cl2 N3 O P Pd Si -","- C128 H216 Cl8 N12 O4 P4 Pd4 Si4 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Laglera-Gándara, Carlos J; Pérez-Carreño, Enrique","Phosphane-functionalized heavier tetrylenes: synthesis of silylene- and germylene-decorated phosphanes and their reactions with Group 10 metal complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8331","8339","10.1039/d0dt01727b","","","1.5418","CuKα","","0.0467","0.0432","","","0.1187","0.1209","","","","","","1.079","","","","has coordinates","253854","2020-10-21","18:00:00",""
"7704538","18.1593","0.0002","20.9946","0.0002","23.5554","0.0002","90","","90","","90","","8980.43","0.15","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H61 N3 P2 Pd Si -","- C46 H61 N3 P2 Pd Si -","- C368 H488 N24 P16 Pd8 Si8 -","8","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Laglera-Gándara, Carlos J; Pérez-Carreño, Enrique","Phosphane-functionalized heavier tetrylenes: synthesis of silylene- and germylene-decorated phosphanes and their reactions with Group 10 metal complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8331","8339","10.1039/d0dt01727b","","","1.5418","CuKα","","0.0276","0.0255","","","0.0662","0.0677","","","","","","1.027","","","","has coordinates","253854","2020-10-21","18:00:00",""
"7704539","20.5915","0.0011","8.8479","0.0003","20.8528","0.0008","90","","109.118","0.005","90","","3589.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 Ge N3 Ni P -","- C36 H58 Ge N3 Ni P -","- C144 H232 Ge4 N12 Ni4 P4 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Laglera-Gándara, Carlos J; Pérez-Carreño, Enrique","Phosphane-functionalized heavier tetrylenes: synthesis of silylene- and germylene-decorated phosphanes and their reactions with Group 10 metal complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8331","8339","10.1039/d0dt01727b","","","0.71069","MoKα","","0.1865","0.0747","","","0.0798","0.1084","","","","","","1.011","","","","has coordinates","253854","2020-10-21","18:00:00",""
"7704540","9.6131","0.0011","11.5468","0.0013","17.891","0.002","90","","90.086","0.007","90","","1985.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H56 N10 S2 -","- C34 H56 N10 S2 -","- C68 H112 N20 S4 -","2","0.5","","Wilson, Joshua; Maxson, Tristan; Wright, Isabelle; Zeller, Matthias; Rosokha, Sergiy V.","Diversity and uniformity in anion-π complexes of thiocyanate with aromatic, olefinic and quinoidal π-acceptors.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8734","8743","10.1039/d0dt01654c","","","1.54178","CuKα","","0.0781","0.0616","","","0.172","0.1931","","","","","","1.045","","","","has coordinates,has disorder","253893","2020-10-21","18:00:00",""
"7704541","10.2809","0.0017","24.653","0.004","9.748","0.0014","90","","90.11","0.006","90","","2470.7","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 F6 N2 O3 S -","- C22 H28 F6 N2 O3 S -","- C88 H112 F24 N8 O12 S4 -","4","1","","Wilson, Joshua; Maxson, Tristan; Wright, Isabelle; Zeller, Matthias; Rosokha, Sergiy V.","Diversity and uniformity in anion-π complexes of thiocyanate with aromatic, olefinic and quinoidal π-acceptors.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8734","8743","10.1039/d0dt01654c","","","0.71073","MoKα","","0.0616","0.0447","","","0.1094","0.1186","","","","","","1.05","","","","has coordinates","253893","2020-10-21","18:00:00",""
"7704542","14.7446","0.0007","14.7446","","34.4695","0.0018","90","","90","","90","","7493.8","0.5","150","2","150","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C32 H56 N8 S2 -","- C32 H56 N8 S2 -","- C256 H448 N64 S16 -","8","0.5","","Wilson, Joshua; Maxson, Tristan; Wright, Isabelle; Zeller, Matthias; Rosokha, Sergiy V.","Diversity and uniformity in anion-π complexes of thiocyanate with aromatic, olefinic and quinoidal π-acceptors.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8734","8743","10.1039/d0dt01654c","","","0.71073","MoKα","","0.0674","0.0429","","","0.1091","0.1216","","","","","","1.041","","","","has coordinates,has disorder","253893","2020-10-21","18:00:00",""
"7704543","9.2223","0.001","12.554","0.0016","20.447","0.003","90","","90","","90","","2367.3","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H31 N5 O6 S -","- C19 H31 N5 O6 S -","- C76 H124 N20 O24 S4 -","4","1","","Wilson, Joshua; Maxson, Tristan; Wright, Isabelle; Zeller, Matthias; Rosokha, Sergiy V.","Diversity and uniformity in anion-π complexes of thiocyanate with aromatic, olefinic and quinoidal π-acceptors.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8734","8743","10.1039/d0dt01654c","","","0.71073","MoKα","","0.0496","0.0364","","","0.0859","0.092","","","","","","1.051","","","","has coordinates,has disorder","253893","2020-10-21","18:00:00",""
"7704544","8.5509","0.0009","29.906","0.003","8.803","0.0008","90","","92.19","0.006","90","","2249.5","0.4","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 N4 O8 Zn2 -","- C22 H15 N4 O8 Zn2 -","- C88 H60 N16 O32 Zn8 -","4","1","","Sugamata, Koh; Takagi, Chikaze; Awano, Keiko; Iihama, Teruyuki; Minoura, Mao","Structural analysis of and selective CO<sub>2</sub> adsorption in mixed-ligand hydroxamate-based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9948","9952","10.1039/d0dt01105c","","","0.78291","Synchrotron","","0.0523","0.0462","","","0.1161","0.1219","","","","","","1.063","","","","has coordinates","254952","2020-10-21","18:00:00",""
"7704545","37.3165","0.0017","11.9989","0.0005","17.9499","0.0009","90","","102.058","0.002","90","","7859.9","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 Co2 N5 O9 -","- C25 H22 Co2 N5 O9 -","- C200 H176 Co16 N40 O72 -","8","1","","Sugamata, Koh; Takagi, Chikaze; Awano, Keiko; Iihama, Teruyuki; Minoura, Mao","Structural analysis of and selective CO<sub>2</sub> adsorption in mixed-ligand hydroxamate-based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9948","9952","10.1039/d0dt01105c","","","0.71073","MoKα","","0.0662","0.0551","","","0.1732","0.1794","","","","","","1.12","","","","has coordinates,has disorder","254952","2020-10-21","18:00:00",""
"7704546","11.4938","0.0004","12.8694","0.0004","21.4788","0.0006","90","","90","","90","","3177.11","0.17","170","2","170","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 O2 P2 Pt S2 -","- C35 H32 O2 P2 Pt S2 -","- C140 H128 O8 P8 Pt4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0263","0.0233","","","0.0511","0.0524","","","","","","1.021","","","","has coordinates,has disorder","254993","2020-10-21","18:00:00",""
"7704547","12.1612","0.0005","13.3852","0.0005","23.743","0.001","90","","94.925","0.002","90","","3850.6","0.3","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 O2 P2 Pt S2 -","- C36 H36 O2 P2 Pt S2 -","- C144 H144 O8 P8 Pt4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0268","0.02","","","0.0424","0.045","","","","","","1.029","","","","has coordinates","254993","2020-10-21","18:00:00",""
"7704548","17.8196","0.0007","20.1432","0.001","17.8701","0.0009","90","","92.049","0.002","90","","6410.3","0.5","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34.5 H31 Cl O2 P2 Pt S2 -","- C34.5 H31 Cl O2 P2 Pt S2 -","- C276 H248 Cl8 O16 P16 Pt8 S16 -","8","2","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0897","0.0501","","","0.0863","0.1009","","","","","","1.04","","","","has coordinates","254993","2020-10-21","18:00:00",""
"7704549","18.343","0.002","19.8358","0.0019","15.1897","0.0017","90","","102.082","0.004","90","","5404.3","1","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50.75 H51.5 Cl5.5 Fe O5 P2 Pt S2 -","- C50.75 H51.5 Cl5.5 Fe O5 P2 Pt S2 -","- C203 H206 Cl22 Fe4 O20 P8 Pt4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.098","0.0736","","","0.1667","0.1822","","","","","","1.103","","","","has coordinates","254993","2020-10-21","18:00:00",""
"7704550","13.0406","0.0008","16.0671","0.0016","16.7995","0.0011","80.747","0.004","78.054","0.002","66.431","0.003","3144.4","0.4","150","2","149.99","","","","","","","","","9","P -1","-P 1","2","","","","- C66 H66 B Cl4 Na O5 P2 Pt S2 -","- C66 H66 B Cl4 Na O5 P2 Pt S2 -","- C132 H132 B2 Cl8 Na2 O10 P4 Pt2 S4 -","2","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0416","0.0319","","","0.0658","0.0712","","","","","","1.131","","","","has coordinates,has disorder","254993","2020-10-21","18:00:00",""
"7704551","9.565","0.007","17.558","0.012","20.088","0.014","95.318","0.009","98.525","0.009","100.269","0.009","3258","4","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C68 H76 B Cl2 Na O8 P2 Pd S2 -","- C68 H76 B Cl2 Na O8 P2 Pd S2 -","- C136 H152 B2 Cl4 Na2 O16 P4 Pd2 S4 -","2","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0642","0.0489","","","0.1122","0.1215","","","","","","1.051","","","","has coordinates","254993","2020-10-21","18:00:00",""
"7704552","11.4906","0.0012","12.9099","0.0014","21.333","0.002","90","","90","","90","","3164.6","0.6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 O2 P2 Pd S2 -","- C35 H32 O2 P2 Pd S2 -","- C140 H128 O8 P8 Pd4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0389","0.0337","","","0.0728","0.0756","","","","","","1.056","","","","has coordinates,has disorder","254993","2020-10-21","18:00:00",""
"7704553","12.247","0.003","13.509","0.004","23.332","0.007","90","","91.73","0.003","90","","3858.4","1.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 O2 P2 Pd S2 -","- C36 H36 O2 P2 Pd S2 -","- C144 H144 O8 P8 Pd4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0341","0.0298","","","0.0861","0.0939","","","","","","1.129","","","","has coordinates","254993","2020-10-21","18:00:00",""
"7704554","10.8886","0.0006","33.2871","0.0017","17.9102","0.0009","90","","106.057","0.001","90","","6238.3","0.6","150","2","150","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C72 H66 B Fe Na O5 P2 Pt S2 -","- C72 H66 B Fe Na O5 P2 Pt S2 -","- C288 H264 B4 Fe4 Na4 O20 P8 Pt4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","1.54178","CuKα","","0.1125","0.0961","","","0.1992","0.2065","","","","","","1.306","","","","has coordinates,has disorder","254993","2020-10-21","18:00:00",""
"7704555","11.053","0.005","12.788","0.006","20.727","0.009","90","","97.308","0.006","90","","2906","2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 O2 P2 Pd S2 -","- C33 H28 O2 P2 Pd S2 -","- C132 H112 O8 P8 Pd4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0621","0.0439","","","0.0849","0.0918","","","","","","1.086","","","","has coordinates","254993","2020-10-21","18:00:00",""
"7704556","17.797","0.007","20.004","0.007","17.816","0.007","90","","92.047","0.004","90","","6339","4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34.5 H31 Cl O2 P2 Pd S2 -","- C34.5 H31 Cl O2 P2 Pd S2 -","- C276 H248 Cl8 O16 P16 Pd8 S16 -","8","2","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0321","0.0304","","","0.0689","0.0698","","","","","","1.106","","","","has coordinates","254993","2020-10-21","18:00:00",""
"7704557","18.363","0.004","19.821","0.004","15.185","0.003","90","","101.9","0.03","90","","5408","2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 Cl4 Fe O5 P2 Pd S2 -","- C50 H50 Cl4 Fe O5 P2 Pd S2 -","- C200 H200 Cl16 Fe4 O20 P8 Pd4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0657","0.0438","","","0.0949","0.1197","","","","","","1.163","","","","has coordinates","254993","2020-10-21","18:00:00",""
"7704558","11.8434","0.0012","13.561","0.003","24.616","0.007","90","","101.568","0.014","90","","3873.2","1.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 O5 P2 Pd S2 -","- C40 H42 O5 P2 Pd S2 -","- C160 H168 O20 P8 Pd4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0261","0.0235","","","0.0609","0.0624","","","","","","1.052","","","","has coordinates,has disorder","254993","2020-10-21","18:00:00",""
"7704559","14.133","0.0005","24.2766","0.001","22.0469","0.0009","90","","106.271","0.0015","90","","7261.4","0.5","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Cl2 N2 O P2 Pd S2 -","- C36 H34 Cl2 N2 O P2 Pd S2 -","- C288 H272 Cl16 N16 O8 P16 Pd8 S16 -","8","2","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0661","0.0408","","","0.0837","0.1001","","","","","","1.054","","","","has coordinates,has disorder","254993","2020-10-21","18:00:00",""
"7704560","18.64","0.007","17.432","0.007","22.044","0.009","90","","97.523","0.005","90","","7101","5","150","2","150","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C75 H72 B Cl6 Fe Na O5 P2 Pd S2 -","- C75 H72 B Cl6 Fe Na O5 P2 Pd S2 -","- C300 H288 B4 Cl24 Fe4 Na4 O20 P8 Pd4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0675","0.0541","","","0.1319","0.1418","","","","","","1.069","","","","has coordinates,has disorder","254993","2020-10-21","18:00:00",""
"7704561","10.2809","0.0005","16.2519","0.0007","18.8916","0.0009","90","","95.946","0.002","90","","3139.5","0.3","170","2","170","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 N2 O P2 Pt S2 -","- C35 H32 N2 O P2 Pt S2 -","- C140 H128 N8 O4 P8 Pt4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0619","0.0383","","","0.0629","0.0712","","","","","","1.13","","","","has coordinates","254993","2020-10-21","18:00:00",""
"7704562","11.1176","0.0004","12.7702","0.0005","20.875","0.0009","90","","97.101","0.001","90","","2941","0.2","170","2","169.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 O2 P2 Pt S2 -","- C33 H28 O2 P2 Pt S2 -","- C132 H112 O8 P8 Pt4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0392","0.0268","","","0.0478","0.0519","","","","","","1.116","","","","has coordinates","254993","2020-10-21","18:00:00",""
"7704563","11.6904","0.0005","13.5792","0.0006","24.868","0.0012","90","","101.911","0.002","90","","3862.7","0.3","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 O5 P2 Pt S2 -","- C40 H42 O5 P2 Pt S2 -","- C160 H168 O20 P8 Pt4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0693","0.0478","","","0.1012","0.1117","","","","","","1.051","","","","has coordinates","254993","2020-10-21","18:00:00",""
"7704564","5.7219","0.0002","15.7524","0.0005","12.0932","0.0004","90","","97.513","0.001","90","","1080.65","0.06","102","2","102","2","","","","","","","","6","P 1 21 1","P 2yb","4","PdHL2Cl2","","","- C15 H27 Cl2 N5 O7 Pd -","- C15 H27 Cl2 N5 O7 Pd -","- C30 H54 Cl4 N10 O14 Pd2 -","2","1","","Ozsváth, András; Diószegi, Róbert; Bényei, Attila Csaba; Buglyó, Péter","Pd(ii)-Complexes of a novel pyridinone based tripeptide conjugate: solution and solid state studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9254","9267","10.1039/d0dt01396j","","","0.71073","MoKα","","0.0233","0.0208","","","0.0449","0.0465","","","","","","1.049","","","","has coordinates","254974","2020-10-21","18:00:00",""
"7704565","13.976","0.003","10.721","0.002","10.339","0.002","90","","118.05","0.03","90","","1367.2","0.6","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H24 Cl4 Cu N2 O2 -","- C30 H24 Cl4 Cu N2 O2 -","- C60 H48 Cl8 Cu2 N4 O4 -","2","0.5","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed","Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8247","8264","10.1039/d0dt01649g","","","0.71073","MoKα","","0.0426","0.0403","","","0.098","0.0991","","","","","","1.018","","","","has coordinates","253862","2020-10-21","18:00:00",""
"7704566","10.427","0.002","10.778","0.002","13.058","0.003","90","","106.74","0.03","90","","1405.3","0.5","298","2","298","2","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Br4 Cu N2 O2 -","- C30 H24 Br4 Cu N2 O2 -","- C60 H48 Br8 Cu2 N4 O4 -","2","0.5","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed","Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8247","8264","10.1039/d0dt01649g","","","0.71073","MoKα","","0.0207","0.0185","","","0.0424","0.043","","","","","","1.037","","","","has coordinates","253862","2020-10-21","18:00:00",""
"7704567","14.1169","0.0005","10.7071","0.0004","10.3296","0.0004","90","","117.78","0.001","90","","1381.38","0.09","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H24 Br4 Cu N2 O2 -","- C30 H24 Br4 Cu N2 O2 -","- C60 H48 Br8 Cu2 N4 O4 -","2","0.5","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed","Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8247","8264","10.1039/d0dt01649g","","","0.71073","MoKα","","0.029","0.0237","","","0.0473","0.0491","","","","","","1.041","","","","has coordinates","253862","2020-10-21","18:00:00",""
"7704568","10.33616","0.00017","10.64041","0.00015","13.0212","0.0002","90","","107.555","0.0017","90","","1365.39","0.04","140","0.1","140","0.1","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C30 H24 Br2 Cl2 Cu N2 O2 -","- C30 H24 Br2 Cl2 Cu N2 O2 -","- C60 H48 Br4 Cl4 Cu2 N4 O4 -","2","0.5","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed","Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8247","8264","10.1039/d0dt01649g","","x-ray","1.54184","CuKα","","0.0248","0.0247","","","0.0654","0.0654","","","","","","1.06","","","","has coordinates","253862","2020-10-21","18:00:00",""
"7704569","14.04","0.003","10.708","0.002","10.439","0.002","90","","117.772","0.003","90","","1388.6","0.5","298","2","298","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C30 H24 Br2 Cl2 Cu N2 O2 -","- C30 H24 Br2 Cl2 Cu N2 O2 -","- C60 H48 Br4 Cl4 Cu2 N4 O4 -","2","0.5","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed","Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8247","8264","10.1039/d0dt01649g","","","0.71073","MoKα","","0.0207","0.0193","","","0.0474","0.0483","","","","","","1.057","","","","has coordinates","253862","2020-10-21","18:00:00",""
"7704570","14.5549","0.0003","11.1475","0.0003","10.6074","0.0003","90","","118.18","0.001","90","","1517.06","0.07","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H24 Cu I4 N2 O2 -","- C30 H24 Cu I4 N2 O2 -","- C60 H48 Cu2 I8 N4 O4 -","2","0.5","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed","Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8247","8264","10.1039/d0dt01649g","","","0.71073","MoKα","","0.0506","0.0452","","","0.1132","0.1179","","","","","","1.054","","","","has coordinates","253862","2020-10-21","18:00:00",""
"7704571","8.57142","0.00006","14.70541","0.00011","11.09232","0.00008","90","","97.2834","0.0007","90","","1386.86","0.018","140.01","0.1","140.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H24 Cl4 Cu N2 O2 -","- C30 H24 Cl4 Cu N2 O2 -","- C60 H48 Cl8 Cu2 N4 O4 -","2","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed","Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8247","8264","10.1039/d0dt01649g","","x-ray","1.54184","CuKα","","0.0251","0.0251","","","0.0655","0.0655","","","","","","1.043","","","","has coordinates","253862","2020-10-21","18:00:00",""
"7704572","14.5586","0.0003","11.1467","0.0002","10.6165","0.0002","90","","118.209","0.001","90","","1518.23","0.05","273","2","273","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H24 Cu I4 N2 O2 -","- C30 H24 Cu I4 N2 O2 -","- C60 H48 Cu2 I8 N4 O4 -","2","0.5","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed","Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8247","8264","10.1039/d0dt01649g","","","0.71073","MoKα","","0.0418","0.0329","","","0.0801","0.0844","","","","","","1.063","","","","has coordinates","253862","2020-10-21","18:00:00",""
"7704573","8.6322","0.0002","14.8439","0.0003","11.1572","0.0003","90","","97.871","0.001","90","","1416.16","0.06","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H24 Cl4 Cu N2 O2 -","- C30 H24 Cl4 Cu N2 O2 -","- C60 H48 Cl8 Cu2 N4 O4 -","2","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed","Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8247","8264","10.1039/d0dt01649g","","","0.71073","MoKα","","0.0378","0.0288","","","0.0659","0.0729","","","","","","0.993","","","","has coordinates","253862","2020-10-21","18:00:00",""
"7704574","16.0146","0.0005","7.3894","0.0003","14.6908","0.0005","90","","101.708","0.002","90","","1702.31","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","","Chakraborty, Sujaya; Lohar, Somenath; Dhara, Koushik; Ghosh, Raktim; Dam, Somasri; Zangrando, Ennio; Chattopadhyay, Pabitra","A new half-condensed Schiff base platform: structures and sensing of Zn<sup>2+</sup> and H<sub>2</sub>PO<sub>4</sub><sup>-</sup> ions in an aqueous medium.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8991","9001","10.1039/d0dt01594f","","","0.71073","MoKα","","0.0825","0.0471","","","0.1303","0.1734","","","","","","0.938","","","","has coordinates","287929","2023-12-01","12:10:10",""
"7704575","21.562","0.005","21.886","0.005","15.803","0.003","90","","97.202","0.005","90","","7399","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H63 N9 O10 Zn2 -","- C86 H63 N9 O10 Zn2 -","- C344 H252 N36 O40 Zn8 -","4","0.5","","Chakraborty, Sujaya; Lohar, Somenath; Dhara, Koushik; Ghosh, Raktim; Dam, Somasri; Zangrando, Ennio; Chattopadhyay, Pabitra","A new half-condensed Schiff base platform: structures and sensing of Zn<sup>2+</sup> and H<sub>2</sub>PO<sub>4</sub><sup>-</sup> ions in an aqueous medium.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8991","9001","10.1039/d0dt01594f","","","0.71073","MoKα","","0.0713","0.0441","","","0.1191","0.136","","","","","","1.057","","","","has coordinates,has disorder","287929","2023-12-01","12:10:10",""
"7704576","8.905","0.0009","20.176","0.003","20.556","0.002","92.208","0.004","97.473","0.003","99.79","0.005","3601.6","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H70 Cl2 N12 O13 Re2 -","- C46 H28 Cl2 N6 O7 Re2 -","- C92 H56 Cl4 N12 O14 Re4 -","2","1","","Paul, Lucas A.; Rajabi, Sheida; Jooss, Christian; Meyer, Franc; Ebrahimi, Fatemeh; Siewert, Inke","A dinuclear rhenium complex in the electrochemically driven homogeneous and heterogeneous H<sup>+</sup>/CO<sub>2</sub>-reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8367","8374","10.1039/d0dt00381f","","","0.71073","MoKα","","0.0872","0.0434","","","0.0894","0.1001","","","","","","1.042","","","","has coordinates","253864","2020-10-21","18:00:00",""
"7704577","10.613","0.001","10.2771","0.001","12.5111","0.0012","90","","90","","90","","1364.6","0.2","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C10 H8 Ag F6 N4 P -","- C10 H8 Ag F6 N4 P -","- C40 H32 Ag4 F24 N16 P4 -","4","0.5","","Maity, Suvendu; Naskar, Kaushik; Bhowmik, Tanmay; Bera, Amalendu; Weyhermüller, Thomas; Sinha, Chittaranjan; Ghosh, Prasanta","Coordination polymers of Ag(i) and Hg(i) ions with 2,2'-azobispyridine: synthesis, characterization and enhancement of conductivity in the presence of Cu(ii) ions.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8438","8442","10.1039/d0dt01470b","","","0.71073","MoKα","","0.0373","0.0338","","","0.0874","0.0895","","","","","","1.136","","","","has coordinates","253891","2020-10-21","18:00:00",""
"7704578","15.7408","0.0009","16.2559","0.0009","15.888","0.002","90","","108.946","0.006","90","","3845.2","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 F12 Hg2 N12 O P2 -","- C30 H24 F12 Hg2 N12 O P2 -","- C120 H96 F48 Hg8 N48 O4 P8 -","4","1","","Maity, Suvendu; Naskar, Kaushik; Bhowmik, Tanmay; Bera, Amalendu; Weyhermüller, Thomas; Sinha, Chittaranjan; Ghosh, Prasanta","Coordination polymers of Ag(i) and Hg(i) ions with 2,2'-azobispyridine: synthesis, characterization and enhancement of conductivity in the presence of Cu(ii) ions.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8438","8442","10.1039/d0dt01470b","","","0.71073","MoKα","","0.0311","0.0245","","","0.0558","0.0588","","","","","","1.104","","","","has coordinates","253891","2020-10-21","18:00:00",""
"7704579","8.28458","0.00009","15.15852","0.00017","16.5128","0.0002","90","","94.1801","0.0011","90","","2068.19","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 N2 O4 Sn -","- C18 H32 N2 O4 Sn -","- C72 H128 N8 O16 Sn4 -","4","1","","Huster, Niklas; Zanders, David; Karle, Sarah; Rogalla, Detlef; Devi, Anjana","Additive-free spin coating of tin oxide thin films: synthesis, characterization and evaluation of tin β-ketoiminates as a new precursor class for solution deposition processes.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10755","10764","10.1039/d0dt01463j","","x-ray","1.54184","CuKα","","0.0331","0.031","","","0.0818","0.0833","","","","","","1.061","","","","has coordinates","256098","2020-10-21","18:00:00",""
"7704580","12.5896","0.0002","17.1222","0.0003","13.0803","0.0003","90","","106.082","0.002","90","","2709.27","0.09","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N'-Bis-(4'-(hydroxybenzophenylidene))ethylenediaminenickel(II)","","- C31 H29 N3 Ni O5 -","- C31 H29 N3 Ni O5 -","- C124 H116 N12 Ni4 O20 -","4","1","","Pham, Son Q. T.; Richardson, Christopher; Kelso, Celine; Willis, Anthony C.; Ralph, Stephen F.","The effect of isomerism and other structural variations on the G-quadruplex DNA-binding properties of some nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10360","10379","10.1039/d0dt01370f","","x-ray","0.71073","MoKα","","0.0684","0.0421","","","0.1042","0.1214","","","","","","1.033","","","","has coordinates,has disorder","257532","2020-10-21","18:00:00",""
"7704581","10.3061","0.0003","20.2032","0.0005","9.6204","0.0003","90","","106.606","0.003","90","","1919.58","0.1","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-(hydroxybenzophenylidene))-N'-salicylidineethylenediaminenickel(II)","","- C22 H19 N2 Ni O3.5 -","- C22 H19 N2 Ni O3.5 -","- C88 H76 N8 Ni4 O14 -","4","1","","Pham, Son Q. T.; Richardson, Christopher; Kelso, Celine; Willis, Anthony C.; Ralph, Stephen F.","The effect of isomerism and other structural variations on the G-quadruplex DNA-binding properties of some nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10360","10379","10.1039/d0dt01370f","","x-ray","0.71073","MoKα","","0.0467","0.0327","","","0.08","0.0868","","","","","","1.049","","","","has coordinates","257532","2020-10-21","18:00:00",""
"7704582","10.6471","0.0004","26.9276","0.0013","28.5309","0.0016","65.563","0.005","84.047","0.004","83.883","0.003","7388.6","0.7","150","","150","","","","","","","","from U of Wollongong","5","P -1","-P 1","2","","","","- C42 H48 N4 Ni O4 -","- C42 H48 N4 Ni O4 -","- C336 H384 N32 Ni8 O32 -","8","4","","Pham, Son Q. T.; Richardson, Christopher; Kelso, Celine; Willis, Anthony C.; Ralph, Stephen F.","The effect of isomerism and other structural variations on the G-quadruplex DNA-binding properties of some nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10360","10379","10.1039/d0dt01370f","","","1.54184","CuKα","","0.1262","0.0968","","0.1945","0.1772","0.1945","","","","","","0.9802","","","","has coordinates","257532","2020-10-21","18:00:00",""
"7704583","7.9887","0.0001","20.7141","0.0002","12.4586","0.0002","90","","98.92","0.001","90","","2036.7","0.05","150","","150","","","","","","","","from U of Wollongong","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 Ni O6 -","- C22 H22 N2 Ni O6 -","- C88 H88 N8 Ni4 O24 -","4","1","","Pham, Son Q. T.; Richardson, Christopher; Kelso, Celine; Willis, Anthony C.; Ralph, Stephen F.","The effect of isomerism and other structural variations on the G-quadruplex DNA-binding properties of some nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10360","10379","10.1039/d0dt01370f","","x-ray","1.54184","CuKα","","0.0412","0.0381","","0.0975","0.0954","0.0975","","","","","","1.0306","","","","has coordinates","257532","2020-10-21","18:00:00",""
"7704584","13.1465","0.0001","14.9679","0.0001","16.4141","0.0002","90","","107.358","0.0011","90","","3082.81","0.05","150","","150","","","","","","","","from U of Wollongong","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 N2 Ni O6 S2 -","- C32 H34 N2 Ni O6 S2 -","- C128 H136 N8 Ni4 O24 S8 -","4","1","","Pham, Son Q. T.; Richardson, Christopher; Kelso, Celine; Willis, Anthony C.; Ralph, Stephen F.","The effect of isomerism and other structural variations on the G-quadruplex DNA-binding properties of some nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10360","10379","10.1039/d0dt01370f","","x-ray","1.54184","CuKα","","0.0381","0.0362","","0.0993","0.0974","0.0993","","","","","","0.9963","","","","has coordinates","257532","2020-10-21","18:00:00",""
"7704585","13.4737","0.0003","18.9348","0.0003","8.402","0.0002","90","","101.792","0.002","90","","2098.3","0.08","150","0.1","150","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","N-(4-(hydroxybenzophenylidene))-N'-(naphthalidine)ethylenediaminenickel(II)","","- C26 H22 N2 Ni O4 -","- C26 H22 N2 Ni O4 -","- C104 H88 N8 Ni4 O16 -","4","1","","Pham, Son Q. T.; Richardson, Christopher; Kelso, Celine; Willis, Anthony C.; Ralph, Stephen F.","The effect of isomerism and other structural variations on the G-quadruplex DNA-binding properties of some nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10360","10379","10.1039/d0dt01370f","","x-ray","0.71073","MoKα","","0.0269","0.0256","","","0.0672","0.068","","","","","","1.062","","","","has coordinates","257532","2020-10-21","18:00:00",""
"7704586","18.92","0.0004","7.61382","0.00012","19.7486","0.0003","90","","99.5135","0.0016","90","","2805.73","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(4-((1-(2-ethyl)piperidine)oxy)benzophenylidene)-N'-(naphthalidine)ethylenediaminenickel(II)","","- C33 H33 N3 Ni O3 -","- C33 H33 N3 Ni O3 -","- C132 H132 N12 Ni4 O12 -","4","2","","Pham, Son Q. T.; Richardson, Christopher; Kelso, Celine; Willis, Anthony C.; Ralph, Stephen F.","The effect of isomerism and other structural variations on the G-quadruplex DNA-binding properties of some nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10360","10379","10.1039/d0dt01370f","","x-ray","0.71073","MoKα","","0.0357","0.0307","","","0.0783","0.081","","","","","","1.031","","","","has coordinates","257532","2020-10-21","18:00:00",""
"7704587","9.9317","0.0003","14.6642","0.0006","14.9018","0.0005","84.318","0.003","76.97","0.003","73.292","0.003","2023.8","0.13","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","N,N'-Bis-(4'-((1-(2-ethyl)piperidine)oxy)benzophenylidene)ethylenediaminenickel(II)","","- C43 H48.96 Cl3 N4 Ni O4.15 -","- C43 H48.968 Cl3 N4 Ni O4.15 -","- C86 H97.936 Cl6 N8 Ni2 O8.3 -","2","1","","Pham, Son Q. T.; Richardson, Christopher; Kelso, Celine; Willis, Anthony C.; Ralph, Stephen F.","The effect of isomerism and other structural variations on the G-quadruplex DNA-binding properties of some nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10360","10379","10.1039/d0dt01370f","","x-ray","0.71073","MoKα","","0.0452","0.0346","","","0.0846","0.089","","","","","","1.046","","","","has coordinates,has disorder","257532","2020-10-21","18:00:00",""
"7704588","10.9589","0.0007","10.9589","0.0007","11.1331","0.001","90","","90","","120","","1157.93","0.15","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ba3 I18 O54 Ti3 -","- Ba3 I18 O54 Ti3 -","- Ba3 I18 O54 Ti3 -","1","0.0555556","","Qian, Zhen; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","New polymorphism for BaTi(IO<sub>3</sub>)<sub>6</sub> with two polymorphs crystallizing in the same space group.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8443","8447","10.1039/d0dt00593b","","","0.71073","MoKα","","0.0261","0.0232","","","0.0751","0.0824","","","","","","0.712","","","","has coordinates","253902","2020-10-21","18:00:00",""
"7704589","11.4412","0.0017","11.4412","0.0017","11.1418","0.0017","90","","90","","120","","1263.1","0.3","297","2","297","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ba I6 O18 Ti -","- Ba I6 O18 Ti -","- Ba3 I18 O54 Ti3 -","3","0.166667","","Qian, Zhen; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","New polymorphism for BaTi(IO<sub>3</sub>)<sub>6</sub> with two polymorphs crystallizing in the same space group.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8443","8447","10.1039/d0dt00593b","","","0.71073","MoKα","","0.0255","0.0226","","","0.056","0.0575","","","","","","1.134","","","","has coordinates","253902","2020-10-21","18:00:00",""
"7704590","5.498","0.0002","13.6342","0.0006","18.1214","0.0006","72.607","0.003","85.403","0.003","80.601","0.004","1278.17","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H39 N Nd2 O20 -","- C57 H39 N Nd2 O20 -","- C57 H39 N Nd2 O20 -","1","0.5","","Bai, Yuting; Zhang, Shuo; Feng, Sisi; Zhu, Miaoli; Ma, Shengqian","The first ternary Nd-MOF/GO/Fe<sub>3</sub>O<sub>4</sub> nanocomposite exhibiting an excellent photocatalytic performance for dye degradation.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10745","10754","10.1039/d0dt01648a","","","1.54184","CuKα","","0.0323","0.0309","","","0.09","0.0915","","","","","","1.05","","","","has coordinates,has disorder","256091","2020-10-21","18:00:00",""
"7704591","13.8229","0.0011","13.8229","0.0011","24.906","0.002","90","","90","","90","","4758.9","0.7","110","2","110","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C8.25 H7 Ca0.5 O2.62 -","- C8.25 H4 Ca0.5 O2.625 -","- C132 H64 Ca8 O42 -","16","1","","Hu, Falu; Di, Zhengyi; Wu, Mingyan; Li, Jing","Building a robust 3D Ca-MOF by a new square Ca<sub>4</sub>O SBU for purification of natural gas.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8836","8840","10.1039/d0dt00943a","","","1.54184","CuKα","","0.0765","0.0734","","","0.2335","0.2387","","","","","","1.091","","","","has coordinates","254999","2020-10-21","18:00:00",""
"7704592","8.7662","0.0002","18.5608","0.0004","21.9662","0.0005","90","","99.627","0.002","90","","3523.74","0.14","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H28 F7 N6 P Ru -","- C39 H28 F7 N6 P Ru -","- C156 H112 F28 N24 P4 Ru4 -","4","1","","Wen, Ya; Ouyang, Cheng; Li, Quanwen; Rees, Thomas W.; Qiu, Kangqiang; Ji, Liangnian; Chao, Hui","Synthesis, characterization and anticancer mechanism studies of fluorinated cyclometalated ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7044","7052","10.1039/d0dt01412e","","x-ray","0.71073","MoKα","","0.0382","0.0313","","","0.0706","0.0739","","","","","","1.032","","","","has coordinates","252647","2020-10-21","18:00:00",""
"7704593","12.4892","0.0005","9.01","0.0003","17.9682","0.0008","90","","105.056","0.004","90","","1952.51","0.14","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C44 H31 F9 N5 P Ru -","- C44 H31 F9 N5 P Ru -","- C88 H62 F18 N10 P2 Ru2 -","2","1","","Wen, Ya; Ouyang, Cheng; Li, Quanwen; Rees, Thomas W.; Qiu, Kangqiang; Ji, Liangnian; Chao, Hui","Synthesis, characterization and anticancer mechanism studies of fluorinated cyclometalated ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7044","7052","10.1039/d0dt01412e","","","0.71073","MoKα","","0.0579","0.0468","","","0.1142","0.122","","","","","","1.075","","","","has coordinates","252647","2020-10-21","18:00:00",""
"7704594","8.4069","0.0003","21.1667","0.0009","21.7727","0.0007","90","","99.448","0.003","90","","3821.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42.5 H32.5 F6 N6 P Ru -","- C42.5 H32.5 F6 N6 P Ru -","- C170 H130 F24 N24 P4 Ru4 -","4","1","","Wen, Ya; Ouyang, Cheng; Li, Quanwen; Rees, Thomas W.; Qiu, Kangqiang; Ji, Liangnian; Chao, Hui","Synthesis, characterization and anticancer mechanism studies of fluorinated cyclometalated ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7044","7052","10.1039/d0dt01412e","","","0.71073","MoKα","","0.058","0.0417","","","0.0895","0.096","","","","","","1.03","","","","has coordinates","252647","2020-10-21","18:00:00",""
"7704595","26.7258","0.0008","8.8028","0.0003","18.4875","0.0006","90","","107.27","0.003","90","","4153.3","0.2","150","0.1","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H33 F10 N6 P Ru -","- C46 H33 F10 N6 P Ru -","- C184 H132 F40 N24 P4 Ru4 -","4","1","","Wen, Ya; Ouyang, Cheng; Li, Quanwen; Rees, Thomas W.; Qiu, Kangqiang; Ji, Liangnian; Chao, Hui","Synthesis, characterization and anticancer mechanism studies of fluorinated cyclometalated ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7044","7052","10.1039/d0dt01412e","","x-ray","0.71073","MoKα","","0.0373","0.0351","","","0.0872","0.0897","","","","","","1.041","","","","has coordinates","252647","2020-10-21","18:00:00",""
"7704596","27.118","0.0007","9.132","0.0002","35.8913","0.0009","90","","106.414","0.003","90","","8525.9","0.4","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C44 H29 F11 N5 P Ru -","- C44 H29 F11 N5 P Ru -","- C352 H232 F88 N40 P8 Ru8 -","8","1","","Wen, Ya; Ouyang, Cheng; Li, Quanwen; Rees, Thomas W.; Qiu, Kangqiang; Ji, Liangnian; Chao, Hui","Synthesis, characterization and anticancer mechanism studies of fluorinated cyclometalated ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7044","7052","10.1039/d0dt01412e","","","0.71073","MoKα","","0.0483","0.034","","","0.0716","0.0789","","","","","","1.028","","","","has coordinates","252647","2020-10-21","18:00:00",""
"7704597","23.9804","0.0009","23.9804","0.0009","25.2619","0.0014","90","","90","","90","","14527.1","1.1","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C37 H23 F10.5 N5.25 P1.25 Ru -","- C37 H23 F10.5 N5.25 P1.25 Ru -","- C592 H368 F168 N84 P20 Ru16 -","16","1","","Wen, Ya; Ouyang, Cheng; Li, Quanwen; Rees, Thomas W.; Qiu, Kangqiang; Ji, Liangnian; Chao, Hui","Synthesis, characterization and anticancer mechanism studies of fluorinated cyclometalated ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7044","7052","10.1039/d0dt01412e","","","0.71073","MoKα","","0.1083","0.0835","","","0.2108","0.2343","","","","","","1.084","","","","has coordinates","252647","2020-10-21","18:00:00",""
"7704598","24.0261","0.0004","24.0261","0.0004","25.2884","0.0007","90","","90","","90","","14597.8","0.5","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C37 H24 F9.5 N5.25 P1.25 Ru -","- C37 H24 F9.5 N5.25 P1.25 Ru -","- C592 H384 F152 N84 P20 Ru16 -","16","1","","Wen, Ya; Ouyang, Cheng; Li, Quanwen; Rees, Thomas W.; Qiu, Kangqiang; Ji, Liangnian; Chao, Hui","Synthesis, characterization and anticancer mechanism studies of fluorinated cyclometalated ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7044","7052","10.1039/d0dt01412e","","","0.71073","MoKα","","0.0849","0.0577","","","0.1454","0.1639","","","","","","1.027","","","","has coordinates","252647","2020-10-21","18:00:00",""
"7704599","12.766","0.003","25.504","0.005","14.908","0.003","90","","105","0.03","90","","4688.4","1.8","163","2","163.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Al13 H42 Mo10 O89 P V2 -","- Al13 H42 Mo10 O89 P V2 -","- Al26 H84 Mo20 O178 P2 V4 -","2","0.5","","Yu, Jialin; Gao, Qi; Zhang, Lijuan; Zhou, Yunshan; Zhong, Yuxu; Yin, Jianbo; Zhou, Yuanyuan; Tao, Fangsheng; Wang, Yong'an","A dual-function all-inorganic intercluster salt comprising the polycation ε-[Al<sub>13</sub>O<sub>4</sub>(OH)<sub>24</sub>(H<sub>2</sub>O)<sub>12</sub>]<sup>7+</sup> and polyanion α-[PMo<sub>10</sub>V<sub>2</sub>O<sub>40</sub>]<sup>5-</sup> for detoxifying sulfur mustard and soman.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8122","8135","10.1039/d0dt01307b","","","0.71073","MoKα","","0.1155","0.105","","","0.2625","0.2712","","","","","","1.121","","","","has coordinates,has disorder","253853","2020-10-21","18:00:00",""
"7704600","15.1305","0.0007","10.1117","0.0003","29.952","0.0009","90","","90","","90","","4582.5","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N8 S -","- C25 H20 N8 S -","- C200 H160 N64 S8 -","8","1","","Pantalon Juraj, Natalija; Krklec, Marko; Novosel, Tiana; Perić, Berislav; Vianello, Robert; Raić-Malić, Silvana; Kirin, Srećko I","Copper(ii) and zinc(ii) complexes of mono- and bis-1,2,3-triazole-substituted heterocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9002","9015","10.1039/d0dt01244k","","","1.54184","CuKα","","0.0996","0.079","","","0.2492","0.2784","","","","","","1.068","","","","has coordinates","254984","2020-10-21","18:00:00",""
"7704601","8.7077","0.0012","10.2766","0.0013","11.6856","0.0013","72.85","0.011","75.004","0.011","86.999","0.011","964.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 B2 Cu F8 N12 -","- C38 H32 B2 Cu F8 N12 -","- C38 H32 B2 Cu F8 N12 -","1","0.5","","Pantalon Juraj, Natalija; Krklec, Marko; Novosel, Tiana; Perić, Berislav; Vianello, Robert; Raić-Malić, Silvana; Kirin, Srećko I","Copper(ii) and zinc(ii) complexes of mono- and bis-1,2,3-triazole-substituted heterocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9002","9015","10.1039/d0dt01244k","","","1.54184","CuKα","","0.1195","0.0804","","","0.2147","0.2821","","","","","","1.053","","","","has coordinates,has disorder","254984","2020-10-21","18:00:00",""
"7704602","8.4563","0.0008","10.9214","0.0012","15.1689","0.0018","71.891","0.01","78.582","0.009","71.33","0.009","1253.9","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H56 Cu F6 N12 O6 S2 Si -","- C40 H40 Cu F6 N12 O2 S2 Si -","- C40 H40 Cu F6 N12 O2 S2 Si -","1","0.5","","Pantalon Juraj, Natalija; Krklec, Marko; Novosel, Tiana; Perić, Berislav; Vianello, Robert; Raić-Malić, Silvana; Kirin, Srećko I","Copper(ii) and zinc(ii) complexes of mono- and bis-1,2,3-triazole-substituted heterocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9002","9015","10.1039/d0dt01244k","","","1.54184","CuKα","","0.0559","0.0401","","","0.0673","0.0766","","","","","","0.856","","","","has coordinates","254984","2020-10-21","18:00:00",""
"7704603","41.5083","0.0004","41.5083","0.0004","5.5816","0.0001","90","","90","","90","","9616.8","0.2","129","7","129","7","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C27 H24 N8 S -","- C27 H24 N8 S -","- C432 H384 N128 S16 -","16","1","","Pantalon Juraj, Natalija; Krklec, Marko; Novosel, Tiana; Perić, Berislav; Vianello, Robert; Raić-Malić, Silvana; Kirin, Srećko I","Copper(ii) and zinc(ii) complexes of mono- and bis-1,2,3-triazole-substituted heterocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9002","9015","10.1039/d0dt01244k","","","1.54184","CuKα","","0.0638","0.051","","","0.1286","0.1366","","","","","","1.05","","","","has coordinates,has disorder","254984","2020-10-21","18:00:00",""
"7704604","11.5387","0.0005","16.3557","0.0005","16.1961","0.0007","90","","106.089","0.005","90","","2936.9","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54 H55.2 Cu F6 N16 O3.6 S2 Si -","- C54 H48 Cu F6 N16 S2 Si -","- C108 H96 Cu2 F12 N32 S4 Si2 -","2","0.5","","Pantalon Juraj, Natalija; Krklec, Marko; Novosel, Tiana; Perić, Berislav; Vianello, Robert; Raić-Malić, Silvana; Kirin, Srećko I","Copper(ii) and zinc(ii) complexes of mono- and bis-1,2,3-triazole-substituted heterocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9002","9015","10.1039/d0dt01244k","","","1.54184","CuKα","","0.0777","0.0586","","","0.1521","0.173","","","","","","1.016","","","","has coordinates","254984","2020-10-21","18:00:00",""
"7704605","10.6299","0.0003","16.4545","0.0004","16.1189","0.0007","90","","110.83","0.003","90","","2635.08","0.16","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H51.4 Cu F6 N14 O0.7 Si -","- C52 H50 Cu F6 N14 Si -","- C104 H100 Cu2 F12 N28 Si2 -","2","0.5","","Pantalon Juraj, Natalija; Krklec, Marko; Novosel, Tiana; Perić, Berislav; Vianello, Robert; Raić-Malić, Silvana; Kirin, Srećko I","Copper(ii) and zinc(ii) complexes of mono- and bis-1,2,3-triazole-substituted heterocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9002","9015","10.1039/d0dt01244k","","","1.54184","CuKα","","0.0631","0.0559","","","0.1711","0.1829","","","","","","1.062","","","","has coordinates,has disorder","254984","2020-10-21","18:00:00",""
"7704606","10.9163","0.0008","12.1628","0.0011","14.3254","0.0011","81.776","0.003","78.831","0.002","89.496","0.003","1846.5","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 F2 N2 O4 Pt2 -","- C38 H46 F2 N2 O4 Pt2 -","- C76 H92 F4 N4 O8 Pt4 -","2","1","","Hao, Zhaoran; Zhang, Kai; Chen, Kuan; Wang, Pu; Lu, Zhiyun; Zhu, Weiguo; Liu, Yu","More efficient spin-orbit coupling: adjusting the ligand field strength to the second metal ion in asymmetric binuclear platinum(ii) configurations.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8722","8733","10.1039/d0dt00939c","","","0.71073","MoKα","","0.069","0.0549","","","0.1244","0.1329","","","","","","1.063","","","","has coordinates","253900","2020-10-21","18:00:00",""
"7704607","43.3764","0.0014","6.9415","0.0002","18.5322","0.0005","90","","115.065","0.001","90","","5054.5","0.3","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H28 F2 N2 O2 Pt -","- C27 H28 F2 N2 O2 Pt -","- C216 H224 F16 N16 O16 Pt8 -","8","1","","Hao, Zhaoran; Zhang, Kai; Chen, Kuan; Wang, Pu; Lu, Zhiyun; Zhu, Weiguo; Liu, Yu","More efficient spin-orbit coupling: adjusting the ligand field strength to the second metal ion in asymmetric binuclear platinum(ii) configurations.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8722","8733","10.1039/d0dt00939c","","","0.71073","MoKα","","0.0319","0.0239","","","0.0516","0.0553","","","","","","1.047","","","","has coordinates,has disorder","253900","2020-10-21","18:00:00",""
"7704608","10.4374","0.0003","13.3848","0.0004","19.0129","0.0005","90.1","0.001","98.465","0.001","106.929","0.001","2510.57","0.12","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 F2 N2 O2 Pt -","- C27 H28 F2 N2 O2 Pt -","- C108 H112 F8 N8 O8 Pt4 -","4","2","","Hao, Zhaoran; Zhang, Kai; Chen, Kuan; Wang, Pu; Lu, Zhiyun; Zhu, Weiguo; Liu, Yu","More efficient spin-orbit coupling: adjusting the ligand field strength to the second metal ion in asymmetric binuclear platinum(ii) configurations.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8722","8733","10.1039/d0dt00939c","","","0.71073","MoKα","","0.0353","0.027","","","0.0577","0.0612","","","","","","1.034","","","","has coordinates,has disorder","253900","2020-10-21","18:00:00",""
"7704609","9.53","0.0002","11.9914","0.0003","21.2884","0.0005","90","","98.384","0.001","90","","2406.8","0.1","172","","172","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 F2 N2 O2 Pt -","- C27 H28 F2 N2 O2 Pt -","- C108 H112 F8 N8 O8 Pt4 -","4","1","","Hao, Zhaoran; Zhang, Kai; Chen, Kuan; Wang, Pu; Lu, Zhiyun; Zhu, Weiguo; Liu, Yu","More efficient spin-orbit coupling: adjusting the ligand field strength to the second metal ion in asymmetric binuclear platinum(ii) configurations.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8722","8733","10.1039/d0dt00939c","","","0.71073","MoKα","","0.032","0.0233","","","0.0443","0.0479","","","","","","1.052","","","","has coordinates,has disorder","253900","2020-10-21","18:00:00",""
"7704610","16.1719","0.0004","9.6253","0.0003","25.168","0.0007","90","","91.421","0.001","90","","3916.43","0.19","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H48 Cl2 F2 N2 O4 Pt2 -","- C39 H48 Cl2 F2 N2 O4 Pt2 -","- C156 H192 Cl8 F8 N8 O16 Pt8 -","4","1","","Hao, Zhaoran; Zhang, Kai; Chen, Kuan; Wang, Pu; Lu, Zhiyun; Zhu, Weiguo; Liu, Yu","More efficient spin-orbit coupling: adjusting the ligand field strength to the second metal ion in asymmetric binuclear platinum(ii) configurations.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8722","8733","10.1039/d0dt00939c","","","0.71073","MoKα","","0.031","0.0244","","","0.055","0.0583","","","","","","1.008","","","","has coordinates","253900","2020-10-21","18:00:00",""
"7704611","44.9573","0.0017","44.9573","0.0017","25.3111","0.0009","90","","90","","120","","44304","3","294","2","294.61","","","","","","","","","7","P 61","P 61","169","","","","- C24 H170 Eu4 K14 O236 Te4 W42 -","- C24 H31 Eu4 K2 O192 Te4 W42 -","- C144 H186 Eu24 K12 O1152 Te24 W252 -","6","1","","Zhang, Yan; Wang, Dan; Zeng, Baoxing; Chen, Lijuan; Zhao, Junwei; Yang, Guo-Yu","An unprecedented polyhydroxycarboxylic acid ligand bridged multi-Eu<sup>III</sup> incorporated tellurotungstate and its luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8933","8948","10.1039/d0dt00729c","","","0.71073","MoKα","","0.0607","0.0408","","","0.0857","0.0902","","","","","","1.039","","","","has coordinates","254989","2020-10-21","18:00:00",""
"7704612","9.8073","0.001","10.4055","0.0012","13.9823","0.0015","86.328","0.004","82.101","0.004","74.962","0.004","1364.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26.85 H22.15 Dy N6.15 O8 -","- C26.85 H22.15 Dy N6.15 O8 -","- C53.7 H44.3 Dy2 N12.3 O16 -","2","1","","Fondo, Matilde; Corredoira-Vázquez, Julio; García-Deibe, Ana M; Gómez-Coca, Silvia; Ruiz, Eliseo; Sanmartín-Matalobos, Jesús","Dysprosium-based complexes with a flat pentadentate donor: a magnetic and ab initio study.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8389","8401","10.1039/d0dt01293a","","","0.71073","MoKα","","0.0277","0.0224","","","0.0462","0.0486","","","","","","1.083","","","","has coordinates,has disorder","253856","2020-10-21","18:00:00",""
"7704613","19.188","0.004","18.419","0.004","12.866","0.003","90","","102.517","0.007","90","","4439.1","1.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H39 Cl2 Dy2 N7 O8 -","- C47 H39 Cl2 Dy2 N7 O8 -","- C188 H156 Cl8 Dy8 N28 O32 -","4","0.5","","Fondo, Matilde; Corredoira-Vázquez, Julio; García-Deibe, Ana M; Gómez-Coca, Silvia; Ruiz, Eliseo; Sanmartín-Matalobos, Jesús","Dysprosium-based complexes with a flat pentadentate donor: a magnetic and ab initio study.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8389","8401","10.1039/d0dt01293a","","","0.71073","MoKα","","0.112","0.0761","","","0.193","0.2123","","","","","","1.066","","","","has coordinates","253856","2020-10-21","18:00:00",""
"7704614","13.9344","0.0008","8.2685","0.0005","20.4164","0.0011","90","","100.009","0.002","90","","2316.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Dy N4 O9 -","- C21 H25 Dy N4 O9 -","- C84 H100 Dy4 N16 O36 -","4","1","","Fondo, Matilde; Corredoira-Vázquez, Julio; García-Deibe, Ana M; Gómez-Coca, Silvia; Ruiz, Eliseo; Sanmartín-Matalobos, Jesús","Dysprosium-based complexes with a flat pentadentate donor: a magnetic and ab initio study.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8389","8401","10.1039/d0dt01293a","","","0.71073","MoKα","","0.0221","0.0216","","","0.0535","0.0537","","","","","","1.446","","","","has coordinates,has disorder","253856","2020-10-21","18:00:00",""
"7704615","10.3588","0.0006","14.8159","0.001","17.2043","0.0011","90","","94.679","0.003","90","","2631.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Dy0.09 N6 O8 Y0.91 -","- C25 H29 Dy0.0937 N6 O8 Y0.9063 -","- C100 H116 Dy0.3748 N24 O32 Y3.6252 -","4","1","","Fondo, Matilde; Corredoira-Vázquez, Julio; García-Deibe, Ana M; Gómez-Coca, Silvia; Ruiz, Eliseo; Sanmartín-Matalobos, Jesús","Dysprosium-based complexes with a flat pentadentate donor: a magnetic and ab initio study.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8389","8401","10.1039/d0dt01293a","","","0.71073","MoKα","","0.0581","0.0355","","","0.0602","0.0682","","","","","","1.055","","","","has coordinates","253856","2020-10-21","18:00:00",""
"7704616","9.2355","0.0005","11.6706","0.0007","11.946","0.0009","112.721","0.006","99.37","0.005","109.507","0.005","1054.57","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H54 Cl4 Cu2 N12 O20 -","- C24 H54 Cl4 Cu2 N12 O20 -","- C24 H54 Cl4 Cu2 N12 O20 -","1","0.5","","Lopera, Alberto; Gil-Martínez, Ariadna; Pitarch-Jarque, Javier; Verdejo, Begoña; Blasco, Salvador; Clares, M. Paz; Jiménez, Hermas R; García-España, Enrique","Influence of the chain length and metal : ligand ratio on the self-organization processes of Cu<sup>2+</sup> complexes of [1 + 1] 1H-pyrazole azamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8614","8624","10.1039/d0dt01056a","","","0.71073","MoKα","","0.0446","0.0354","","","0.0805","0.0877","","","","","","1.074","","","","has coordinates","253904","2020-10-21","18:00:00",""
"7704617","16.781","0.0005","9.134","0.0001","21.372","0.0006","90","","95.981","0.001","90","","3258.02","0.14","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C24 H50.74 Br0.44 Cl1.56 Cu2 N12 O2.37 -","- C24 H50.748 Br0.437 Cl1.563 Cu2 N12 O2.374 -","- C96 H202.992 Br1.748 Cl6.252 Cu8 N48 O9.496 -","4","1","","Lopera, Alberto; Gil-Martínez, Ariadna; Pitarch-Jarque, Javier; Verdejo, Begoña; Blasco, Salvador; Clares, M. Paz; Jiménez, Hermas R; García-España, Enrique","Influence of the chain length and metal : ligand ratio on the self-organization processes of Cu<sup>2+</sup> complexes of [1 + 1] 1H-pyrazole azamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8614","8624","10.1039/d0dt01056a","","","0.71073","MoKα","","0.0809","0.0457","","","0.1203","0.1346","","","","","","1.044","","","","has coordinates,has disorder","253904","2020-10-21","18:00:00",""
"7704618","11.1587","0.0005","22.0003","0.001","17.5957","0.0007","90","","90","","90","","4319.7","0.3","120","0.1","120","0.1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C14 H28.07 Br0.27 Cl1.69 Cu2 N6 O6.93 -","- C14 H28.071 Br0.2715 Cl1.693 Cu2 N6 O6.929 -","- C112 H224.568 Br2.172 Cl13.544 Cu16 N48 O55.432 -","8","1","","Lopera, Alberto; Gil-Martínez, Ariadna; Pitarch-Jarque, Javier; Verdejo, Begoña; Blasco, Salvador; Clares, M. Paz; Jiménez, Hermas R; García-España, Enrique","Influence of the chain length and metal : ligand ratio on the self-organization processes of Cu<sup>2+</sup> complexes of [1 + 1] 1H-pyrazole azamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8614","8624","10.1039/d0dt01056a","","","0.71073","MoKα","","0.0637","0.0426","","","0.0973","0.1093","","","","","","1.034","","","","has coordinates,has disorder","253904","2020-10-21","18:00:00",""
"7704619","11.1975","0.0007","8.9313","0.0005","16.2321","0.0011","90","","92.643","0.002","90","","1621.62","0.17","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H23 Cl Cu N6 O4 -","- C12 H23 Cl Cu N6 O4 -","- C48 H92 Cl4 Cu4 N24 O16 -","4","1","","Lopera, Alberto; Gil-Martínez, Ariadna; Pitarch-Jarque, Javier; Verdejo, Begoña; Blasco, Salvador; Clares, M. Paz; Jiménez, Hermas R; García-España, Enrique","Influence of the chain length and metal : ligand ratio on the self-organization processes of Cu<sup>2+</sup> complexes of [1 + 1] 1H-pyrazole azamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8614","8624","10.1039/d0dt01056a","","","0.71073","MoKα","","0.0534","0.0317","","","0.0755","0.0882","","","","","","1.097","","","","has coordinates,has disorder","253904","2020-10-21","18:00:00",""
"7704620","12.8708","0.0007","19.3357","0.0011","19.8511","0.0007","90","","104.852","0.004","90","","4775.2","0.4","120","0.1","120","0.1","","","","","","","","8","I 1 2/m 1","-I 2y","12","","","","- C28 H59.75 Br0.67 Cl3.33 Cu1.61 N12 O12.87 Pd2.39 -","- C28 H59.74 Br0.6666 Cl3.3333 Cu1.616 N12 O12.87 Pd2.384 -","- C112 H238.96 Br2.6664 Cl13.3332 Cu6.464 N48 O51.48 Pd9.536 -","4","0.5","","Lopera, Alberto; Gil-Martínez, Ariadna; Pitarch-Jarque, Javier; Verdejo, Begoña; Blasco, Salvador; Clares, M. Paz; Jiménez, Hermas R; García-España, Enrique","Influence of the chain length and metal : ligand ratio on the self-organization processes of Cu<sup>2+</sup> complexes of [1 + 1] 1H-pyrazole azamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8614","8624","10.1039/d0dt01056a","","","0.71073","MoKα","","0.1078","0.0759","","","0.2041","0.2366","","","","","","1.031","","","","has coordinates,has disorder","253904","2020-10-21","18:00:00",""
"7704621","57.57","0.016","24.215","0.007","18.769","0.005","90","","103.351","0.003","90","","25458","12","163","","163","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H54 Cr9 Mo24 N18 O128 P2 -","- C54 H54 Cr9 Mo24 N18 O128 P2 -","- C216 H216 Cr36 Mo96 N72 O512 P8 -","4","0.5","","Shimoyama, Yuto; Weng, Zhewei; Ogiwara, Naoki; Kitao, Takashi; Kikukawa, Yuji; Uchida, Sayaka","Isostructural mesoporous ionic crystals as a tunable platform for acid catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10328","10333","10.1039/d0dt01202e","","","0.71075","MoKα","","0.0802","0.0665","","","0.1669","0.1775","","","","","","1.071","","","","has coordinates","257523","2020-10-21","18:00:00",""
"7704622","14.0191","0.0003","8.1024","0.0001","22.9207","0.0005","90","","104.543","0.002","90","","2520.11","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","C24 H26 Cl Cu Hg1.05 N4 O6","C24 H26 Cl Cu Hg1.05 N4 O6","","- C24 H26 Cl Cu0.94 Hg1.06 N4 O6 -","- C24 H26 Cl Cu0.9353 Hg1.0647 N4 O6 -","- C96 H104 Cl4 Cu3.7412 Hg4.2588 N16 O24 -","4","1","","Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d<sup>10</sup>d<sup>10</sup>, d<sup>10</sup>d<sup>8</sup>, d<sup>8</sup>d<sup>8</sup>) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9099","9117","10.1039/d0dt01008a","","","0.71073","MoKα","","0.0266","0.0246","","","0.0554","0.0564","","","","","","1.102","","","","has coordinates,has disorder","254985","2020-10-21","18:00:00",""
"7704623","8.6888","0.0004","9.63","0.0004","9.8966","0.0004","86.084","0.003","77.097","0.004","75.575","0.004","781.65","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 Cu2 Hg2 I2 N4 -","- C36 H24 Cu2 Hg2 I2 N4 -","- C36 H24 Cu2 Hg2 I2 N4 -","1","0.5","","Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d<sup>10</sup>d<sup>10</sup>, d<sup>10</sup>d<sup>8</sup>, d<sup>8</sup>d<sup>8</sup>) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9099","9117","10.1039/d0dt01008a","","","0.71073","MoKα","","0.1149","0.1045","","","0.3011","0.3145","","","","","","1.44","","","","has coordinates,has disorder","254985","2020-10-21","18:00:00",""
"7704624","13.9476","0.0003","23.8594","0.0004","25.8161","0.0005","90","","99.154","0.002","90","","8481.7","0.3","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","C40 H36 Cl2 Cu2 Hg2 N4 O10 S2","C40 H36 Cl2 Cu2 Hg2 N4 O10 S2","","- C20 H18 Cl Cu Hg N2 O5 S -","- C20 H18 Cl Cu Hg N2 O5 S -","- C320 H288 Cl16 Cu16 Hg16 N32 O80 S16 -","16","2","","Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d<sup>10</sup>d<sup>10</sup>, d<sup>10</sup>d<sup>8</sup>, d<sup>8</sup>d<sup>8</sup>) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9099","9117","10.1039/d0dt01008a","","","0.71073","MoKα","","0.0601","0.0392","","","0.0828","0.0922","","","","","","1.039","","","","has coordinates,has disorder","254985","2020-10-21","18:00:00",""
"7704625","24.8547","0.0004","7.3001","0.0001","23.4383","0.0005","90","","90","","90","","4252.69","0.13","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C42 H38 Ag2 Cl2 Hg2 N6 O10 -","- C42 H38 Ag2 Cl2 Hg2 N6 O10 -","- C168 H152 Ag8 Cl8 Hg8 N24 O40 -","4","1","","Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d<sup>10</sup>d<sup>10</sup>, d<sup>10</sup>d<sup>8</sup>, d<sup>8</sup>d<sup>8</sup>) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9099","9117","10.1039/d0dt01008a","","","0.71073","MoKα","","0.0472","0.0354","","","0.0666","0.0705","","","","","","1.028","","","","has coordinates,has disorder","254985","2020-10-21","18:00:00",""
"7704626","11.9206","0.0003","12.2385","0.0003","13.1387","0.0003","90","","101.168","0.002","90","","1880.51","0.08","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Ag F3 Hg N2 O3 S -","- C19 H12 Ag F3 Hg N2 O3 S -","- C76 H48 Ag4 F12 Hg4 N8 O12 S4 -","4","1","","Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d<sup>10</sup>d<sup>10</sup>, d<sup>10</sup>d<sup>8</sup>, d<sup>8</sup>d<sup>8</sup>) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9099","9117","10.1039/d0dt01008a","","","0.71073","MoKα","","0.0316","0.0281","","","0.0644","0.0662","","","","","","1.037","","","","has coordinates","254985","2020-10-21","18:00:00",""
"7704627","10.3169","0.0002","13.0213","0.0002","19.6309","0.0003","77.826","0.001","76.028","0.001","88.725","0.001","2500.49","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H15 F6 Hg N3 O4 Pd -","- C24 H15 F6 Hg N3 O4 Pd -","- C96 H60 F24 Hg4 N12 O16 Pd4 -","4","2","","Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d<sup>10</sup>d<sup>10</sup>, d<sup>10</sup>d<sup>8</sup>, d<sup>8</sup>d<sup>8</sup>) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9099","9117","10.1039/d0dt01008a","","","0.71073","MoKα","","0.0265","0.0233","","","0.0512","0.0532","","","","","","1.028","","","","has coordinates,has disorder","254985","2020-10-21","18:00:00",""
"7704628","4.7892","0.0001","11.4477","0.0003","25.3709","0.0006","90","","90.263","0.002","90","","1390.95","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Hg -","- C20 H14 Hg -","- C80 H56 Hg4 -","4","1","","Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d<sup>10</sup>d<sup>10</sup>, d<sup>10</sup>d<sup>8</sup>, d<sup>8</sup>d<sup>8</sup>) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9099","9117","10.1039/d0dt01008a","","","0.71073","MoKα","","0.0361","0.0297","","","0.0727","0.0762","","","","","","1.046","","","","has coordinates","254985","2020-10-21","18:00:00",""
"7704629","12.3384","0.0002","12.338","0.0002","20.3411","0.0004","90","","98.209","0.002","90","","3064.82","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 F6 N2 O7 Pd2 S2 -","- C26 H26 F6.003 N2 O7 Pd2 S2 -","- C104 H104 F24.012 N8 O28 Pd8 S8 -","4","1","","Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d<sup>10</sup>d<sup>10</sup>, d<sup>10</sup>d<sup>8</sup>, d<sup>8</sup>d<sup>8</sup>) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9099","9117","10.1039/d0dt01008a","","","0.71073","MoKα","","0.0274","0.0236","","","0.0524","0.0542","","","","","","1.034","","","","has coordinates,has disorder","254985","2020-10-21","18:00:00",""
"7704630","12.8571","0.0009","13.1664","0.0007","14.465","0.0007","65.49","0.005","65.606","0.006","78.756","0.005","2028.3","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H48 Au4 F12 Hg4 N8 O12 S4 -","- C76 H48 Au4 F12 Hg4 N8 O12 S4 -","- C76 H48 Au4 F12 Hg4 N8 O12 S4 -","1","0.5","","Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d<sup>10</sup>d<sup>10</sup>, d<sup>10</sup>d<sup>8</sup>, d<sup>8</sup>d<sup>8</sup>) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9099","9117","10.1039/d0dt01008a","","","0.71073","MoKα","","0.187","0.1489","","","0.3726","0.3948","","","","","","2.067","","","","has coordinates,has disorder","254985","2020-10-21","18:00:00",""
"7704631","7.5088","0.0001","12.5773","0.0002","20.8765","0.0003","89.667","0.001","79.649","0.001","88.253","0.001","1938.6","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H15 Ag Cl Hg N3 O4 -","- C20 H15 Ag Cl Hg N3 O4 -","- C80 H60 Ag4 Cl4 Hg4 N12 O16 -","4","2","","Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d<sup>10</sup>d<sup>10</sup>, d<sup>10</sup>d<sup>8</sup>, d<sup>8</sup>d<sup>8</sup>) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9099","9117","10.1039/d0dt01008a","","","0.71073","MoKα","","0.0393","0.0344","","","0.0633","0.0653","","","","","","1.008","","","","has coordinates,has disorder","254985","2020-10-21","18:00:00",""
"7704632","6.8295","0.0002","22.1537","0.0005","12.765","0.0003","90","","101.436","0.003","90","","1892.98","0.09","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H24 Cu1.81 F6 Hg2.19 N4 O6 S2 -","- C38 H24 Cu1.8122 F6 Hg2.1878 N4 O6 S2 -","- C76 H48 Cu3.6244 F12 Hg4.3756 N8 O12 S4 -","2","0.5","","Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d<sup>10</sup>d<sup>10</sup>, d<sup>10</sup>d<sup>8</sup>, d<sup>8</sup>d<sup>8</sup>) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9099","9117","10.1039/d0dt01008a","","","0.71073","MoKα","","0.0458","0.034","","","0.0696","0.0735","","","","","","1.103","","","","has coordinates,has disorder","254985","2020-10-21","18:00:00",""
"7704633","13.322","0.003","17.259","0.004","20.667","0.004","66.58","0.03","88.35","0.03","87.91","0.03","4356.9","1.9","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C86.76 H126.51 Cl1.51 Lu N3 O6.5 -","- C86.76 H126.52 Cl1.52 Lu N3 O6.5 -","- C173.52 H253.04 Cl3.04 Lu2 N6 O13 -","2","1","","Mouchel Dit Leguerrier, D.; Barré, R; Bryden, M.; Imbert, D.; Philouze, C.; Jarjayes, O.; Luneau, D.; Molloy, J. K.; Thomas, F.","Structural and spectroscopic investigations of nine-coordinate redox active lanthanide complexes with a pincer O,N,O ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8238","8246","10.1039/d0dt01388a","","x-ray","0.71073","MoKα","","0.1652","0.1424","","","0.3588","0.3917","","","","","","1.679","","","","has coordinates,has disorder","253857","2020-10-21","18:00:00",""
"7704634","13.308","0.003","21.282","0.004","29.272","0.006","90","","93.35","0.03","90","","8276","3","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H120 Gd N3 O6 -","- C84 H120 Gd N3 O6 -","- C336 H480 Gd4 N12 O24 -","4","1","","Mouchel Dit Leguerrier, D.; Barré, R; Bryden, M.; Imbert, D.; Philouze, C.; Jarjayes, O.; Luneau, D.; Molloy, J. K.; Thomas, F.","Structural and spectroscopic investigations of nine-coordinate redox active lanthanide complexes with a pincer O,N,O ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8238","8246","10.1039/d0dt01388a","","x-ray","0.71073","MoKα","","0.0856","0.0498","","","0.1067","0.126","","","","","","1.125","","","","has coordinates,has disorder","253857","2020-10-21","18:00:00",""
"7704635","12.2153","0.0006","13.1499","0.0007","13.2104","0.0007","103.123","0.0017","91.7443","0.0016","97.8182","0.0017","2043.22","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","(^H^ap)2Os(OCH2CH2O) . 0.5 C6H14","Bis(2-phenylimido-4,6-di-tert-butylphenoxo)ethyleneglycolato-osmium(VI) hemi-hexane solvate","","- C45 H61 N2 O4 Os -","- C45 H61 N2 O4 Os -","- C90 H122 N4 O8 Os2 -","2","1","","Gianino, Jacqueline; Erickson, Alexander N.; Markovitz, Sean J.; Brown, Seth N.","High-valent osmium iminoxolene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8504","8515","10.1039/d0dt01735c","","","0.71073","MoKα","","0.0438","0.0357","","","0.0672","0.0692","","","","","","1.121","","","","has coordinates,has disorder","253897","2020-10-21","18:00:00",""
"7704636","10.1408","0.0004","16.5112","0.0006","15.0329","0.0005","90","","96.694","0.001","90","","2499.9","0.16","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(^H^ap)OsO(pin)","Oxo(pinacolato)(2-(phenylimido)-4,6-di-tert-butylphenoxo)-osmium(VI)","","- C26 H37 N O4 Os -","- C26 H37 N O4 Os -","- C104 H148 N4 O16 Os4 -","4","1","","Gianino, Jacqueline; Erickson, Alexander N.; Markovitz, Sean J.; Brown, Seth N.","High-valent osmium iminoxolene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8504","8515","10.1039/d0dt01735c","","","0.71073","MoKα","","0.0242","0.0195","","","0.0422","0.0436","","","","","","1.04","","","","has coordinates","253897","2020-10-21","18:00:00",""
"7704637","13.142","0.003","11.273","0.003","9.569","0.002","90","","102.307","0.005","90","","1385.1","0.6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Ethylene glycol dianthranilate","1,2-Ethanediyldi-2-aminobenzoate","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Gianino, Jacqueline; Erickson, Alexander N.; Markovitz, Sean J.; Brown, Seth N.","High-valent osmium iminoxolene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8504","8515","10.1039/d0dt01735c","","","0.71073","MoKα","","0.0593","0.0385","","","0.0951","0.1035","","","","","","1.074","","","","has coordinates","253897","2020-10-21","18:00:00",""
"7704638","16.8082","0.0007","40.829","0.002","12.5096","0.0007","90","","90","","90","","8584.9","0.7","120","2","120","2","","","","","","","","7","F d d 2","F 2 -2d","43","Os(^Ph^ap)~2~Cl~2~ . CDCl~3~","Cis-bis-(2-(phenylimido)-4,6-di-tert-butylphenoxo)dichloroosmium(VI) chloroform solvate","","- C41 H50 Cl5 D N2 O2 Os -","- C41 H50 Cl5 D N2 O2 Os -","- C328 H400 Cl40 D8 N16 O16 Os8 -","8","0.5","","Gianino, Jacqueline; Erickson, Alexander N.; Markovitz, Sean J.; Brown, Seth N.","High-valent osmium iminoxolene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8504","8515","10.1039/d0dt01735c","","","0.71073","MoKα","","0.0156","0.014","","","0.0322","0.0327","","","","","","1.047","","","","has coordinates,has disorder","253897","2020-10-21","18:00:00",""
"7704639","16.763","0.0014","40.36","0.004","12.3474","0.0014","90","","90","","90","","8353.7","1.4","120","2","120","2","","","","","","","","7","F d d 2","F 2 -2d","43","Os(^Ph^ap)~2~Cl~2~ . CD~2~Cl~2~","Cis-bis-(2-(phenylimido)-4,6-di-tert-butylphenoxo)dichloroosmium(VI) deuterodichloromethane solvate","","- C41 H50 Cl4 D2 N2 O2 Os -","- C41 H50 Cl4 D2 N2 O2 Os -","- C328 H400 Cl32 D16 N16 O16 Os8 -","8","0.5","","Gianino, Jacqueline; Erickson, Alexander N.; Markovitz, Sean J.; Brown, Seth N.","High-valent osmium iminoxolene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8504","8515","10.1039/d0dt01735c","","","0.71073","MoKα","","0.0322","0.0256","","","0.0472","0.0488","","","","","","1.057","","","","has coordinates,has disorder","253897","2020-10-21","18:00:00",""
"7704640","13.0153","0.0006","13.1218","0.0007","14.0466","0.0006","105.229","0.002","104.496","0.0019","108.18","0.002","2049.6","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","(Egan)OsO","(Oxo)(1,2-ethanedi-(2-(3,5-di-tert-butyl-2-oxyphenyl)amido)-benzoate)osmium(VI)","","- C44 H52 N2 O7 Os -","- C44 H52 N2 O7 Os -","- C88 H104 N4 O14 Os2 -","2","1","","Gianino, Jacqueline; Erickson, Alexander N.; Markovitz, Sean J.; Brown, Seth N.","High-valent osmium iminoxolene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8504","8515","10.1039/d0dt01735c","","","0.71073","MoKα","","0.0156","0.014","","","0.0332","0.0336","","","","","","1.046","","","","has coordinates","253897","2020-10-21","18:00:00",""
"7704641","9.9104","0.0005","13.649","0.0007","17.3574","0.0009","99.61","0.002","106.439","0.002","94.958","0.002","2198","0.2","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H46 Cl2 Dy2 N4 O13 -","- C40 H46 Cl2 Dy2 N4 O13 -","- C80 H92 Cl4 Dy4 N8 O26 -","2","1","","Huang, Yuan; Li, Jia-Xin; Ge, Yu; Zhang, Xia-Mei; Xu, Yang; Li, Yahong; Zhang, Yi-Quan; Yao, Jin-Lei","Designing asymmetric Dy<sub>2</sub> single-molecule magnets with two-step relaxation processes by the modification of the coordination environments of Dy(iii) ions.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8976","8984","10.1039/d0dt01619e","","","0.71073","MoKα","","0.0419","0.0277","","","0.0607","0.0653","","","","","","1.069","","","","has coordinates","254998","2020-10-21","18:00:00",""
"7704642","9.8154","0.0006","15.4086","0.0009","19.4191","0.0012","68.245","0.002","75.962","0.002","79.189","0.002","2630.7","0.3","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H45.5 Cl3 Dy2 N4 O13.5 -","- C48 H45.5 Cl3 Dy2 N4 O13.5 -","- C96 H91 Cl6 Dy4 N8 O27 -","2","1","","Huang, Yuan; Li, Jia-Xin; Ge, Yu; Zhang, Xia-Mei; Xu, Yang; Li, Yahong; Zhang, Yi-Quan; Yao, Jin-Lei","Designing asymmetric Dy<sub>2</sub> single-molecule magnets with two-step relaxation processes by the modification of the coordination environments of Dy(iii) ions.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8976","8984","10.1039/d0dt01619e","","","0.71073","MoKα","","0.0419","0.0296","","","0.0735","0.0803","","","","","","1.065","","","","has coordinates","254998","2020-10-21","18:00:00",""
"7704643","11.562","0.003","14.067","0.004","13.652","0.004","90","","91.83","0.004","90","","2219.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Cl2 Cu N6 O8 -","- C16 H26 Cl2 Cu N6 O8 -","- C64 H104 Cl8 Cu4 N24 O32 -","4","1","","Sharma, Mitu; Ganeshpandian, Mani; Majumder, Munmi; Tamilarasan, Ajaykamal; Sharma, Mukesh; Mukhopadhyay, Rupak; Islam, Nashreen S.; Palaniandavar, Mallayan","Octahedral copper(ii)-diimine complexes of triethylenetetramine: effect of stereochemical fluxionality and ligand hydrophobicity on Cu<sup>II</sup>/Cu<sup>I</sup> redox, DNA binding and cleavage, cytotoxicity and apoptosis-inducing ability.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8282","8297","10.1039/d0dt00928h","","","0.7107","MoKα","","0.0654","0.0595","","","0.1806","0.1902","","","","","","1.107","","","","has coordinates","253860","2020-10-21","18:00:00",""
"7704644","11.822","0.002","13.985","0.003","13.983","0.003","90","","93.685","0.002","90","","2307","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cl2 Cu N6 O8 -","- C18 H26 Cl2 Cu N6 O8 -","- C72 H104 Cl8 Cu4 N24 O32 -","4","1","","Sharma, Mitu; Ganeshpandian, Mani; Majumder, Munmi; Tamilarasan, Ajaykamal; Sharma, Mukesh; Mukhopadhyay, Rupak; Islam, Nashreen S.; Palaniandavar, Mallayan","Octahedral copper(ii)-diimine complexes of triethylenetetramine: effect of stereochemical fluxionality and ligand hydrophobicity on Cu<sup>II</sup>/Cu<sup>I</sup> redox, DNA binding and cleavage, cytotoxicity and apoptosis-inducing ability.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8282","8297","10.1039/d0dt00928h","","","0.71075","MoKα","","0.0666","0.0469","","","0.106","0.1172","","","","","","0.913","","","","has coordinates","253860","2020-10-21","18:00:00",""
"7704645","43.352","0.007","12.991","0.002","18.555","0.003","90","","101.839","0.004","90","","10228","3","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H76 Ag7 Eu2 I13 O16 S16 -","- C32 H76 Ag7 Eu2 I13 O16 S16 -","- C128 H304 Ag28 Eu8 I52 O64 S64 -","4","0.5","","Hao, Pengfei; Wang, Weipin; Shen, Junju; Fu, Yunlong","Photochromic and luminescent switchable iodoargentate hybrids directed by solvated lanthanide cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8883","8890","10.1039/d0dt01548b","","","0.71073","MoKα","","0.1122","0.0944","","","0.2588","0.274","","","","","","1.033","","","","has coordinates","254983","2020-10-21","18:00:00",""
"7704646","12.4723","0.0004","23.4245","0.001","21.0231","0.0008","90","","99.65","0.003","90","","6055.1","0.4","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H48 Ag7 Eu I10 O8 S8 -","- C16 H48 Ag7 Eu I10 O8 S8 -","- C64 H192 Ag28 Eu4 I40 O32 S32 -","4","1","","Hao, Pengfei; Wang, Weipin; Shen, Junju; Fu, Yunlong","Photochromic and luminescent switchable iodoargentate hybrids directed by solvated lanthanide cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8883","8890","10.1039/d0dt01548b","","","0.71073","MoKα","","0.0841","0.055","","","0.1309","0.1423","","","","","","1.065","","","","has coordinates","254983","2020-10-21","18:00:00",""
"7704647","43.485","0.016","13.005","0.005","18.69","0.007","90","","102.214","0.01","90","","10330","7","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H92 Ag7 I13 O16 S16 Tb2 -","- C32 H92 Ag7 I13 O16 S16 Tb2 -","- C128 H368 Ag28 I52 O64 S64 Tb8 -","4","0.5","","Hao, Pengfei; Wang, Weipin; Shen, Junju; Fu, Yunlong","Photochromic and luminescent switchable iodoargentate hybrids directed by solvated lanthanide cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8883","8890","10.1039/d0dt01548b","","","0.71073","MoKα","","0.1182","0.1035","","","0.272","0.29","","","","","","1.063","","","","has coordinates","254983","2020-10-21","18:00:00",""
"7704648","31.7458","0.0016","19.7768","0.0011","22.4989","0.001","90","","125.664","0.001","90","","11476.3","1","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H48 Ag6 I9 O8 S8 Tb -","- C16 H48 Ag6 I9 O8 S8 Tb -","- C128 H384 Ag48 I72 O64 S64 Tb8 -","8","1","","Hao, Pengfei; Wang, Weipin; Shen, Junju; Fu, Yunlong","Photochromic and luminescent switchable iodoargentate hybrids directed by solvated lanthanide cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8883","8890","10.1039/d0dt01548b","","","0.71073","MoKα","","0.084","0.0611","","","0.1442","0.1543","","","","","","1.081","","","","has coordinates","254983","2020-10-21","18:00:00",""
"7704649","5.78","0.012","9.72","0.02","10.63","0.02","90","","90","","90","","597","2","293","2","293","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- B I O7 Pb6 -","- B I O7 Pb6 -","- B2 I2 O14 Pb12 -","2","0.25","","Li, Kuan; Yalikun, Alimujiang; Su, Zhi","[O<sub>2</sub>Pb<sub>3</sub>]<sub>2</sub>(BO<sub>3</sub>)I: a new lead borate iodide with [O<sub>2</sub>Pb<sub>3</sub>] double chains.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8985","8990","10.1039/d0dt01722a","","","0.71073","MoKα","","0.0895","0.0565","","","0.1192","0.1322","","","","","","0.973","","","","has coordinates","254986","2020-10-21","18:00:00",""
"7704650","17.9852","0.0016","9.8972","0.0008","19.7318","0.0017","90","","92.578","0.002","90","","3508.8","0.5","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34.5 H34 Cl2 F6 N3 P Ru -","- C34.5 H34 Cl2 F6 N3 P Ru -","- C138 H136 Cl8 F24 N12 P4 Ru4 -","4","2","","Chen, Shujiao; Liu, Xicheng; Huang, Jie; Ge, Xingxing; Wang, Qinghui; Yao, Meimei; Shao, Yue; Liu, Tong; Yuan, Xiang-Ai; Tian, Laijin; Liu, Zhe","Triphenylamine/carbazole-modified ruthenium(ii) Schiff base compounds: synthesis, biological activity and organelle targeting.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8774","8784","10.1039/d0dt01547d","","","0.71073","MoKα","","0.0931","0.0598","","","0.1268","0.1428","","","","","","0.882","","","","has coordinates,has disorder","253901","2020-10-21","18:00:00",""
"7704651","11.8","0.005","12.969","0.005","24.229","0.01","89.705","0.016","76.042","0.011","79.798","0.012","3539","3","101","2","101","2","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H33 Cl2 N5 O7 Ru -","- C33.5 H33 Cl2 N5 O7 Ru -","- C134 H132 Cl8 N20 O28 Ru4 -","4","2","","Chandra, Shubhadeep; Weisser, Fritz; Klenk, Sinja; Beerhues, Julia; Schweinfurth, David; Sarkar, Biprajit","Dinuclear Ru<sup>II</sup> complexes with quinonoid bridges: tuning the electrochemical and spectroscopic properties of redox-switchable NIR dyes through judicious bridge design.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8354","8366","10.1039/d0dt01351j","","","0.71073","MoKα","","0.1129","0.0637","","","0.105","0.1186","","","","","","1.048","","","","has coordinates","253865","2020-10-21","18:00:00",""
"7704652","15.9398","0.0005","7.9962","0.0003","17.9686","0.0005","90","","103.758","0.003","90","","2224.53","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PH2C(O)NH[Fe]","","- C11 H12 Fe N O P -","- C11 H12 Fe N O P -","- C88 H96 Fe8 N8 O8 P8 -","8","2","","Navrátil, Michal; Faria, Erica N.; Panahy, Geve; Císařová, Ivana; Goicoechea, Jose M.; Štěpnička, Petr","Novel ferrocenyl functionalised phosphinecarboxamides: synthesis, characterisation and coordination.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8645","8651","10.1039/d0dt01908a","","","1.54178","CuKα","","0.065","0.0442","","","0.1016","0.1134","","","","","","1.02","","","","has coordinates","253896","2020-10-21","18:00:00",""
"7704653","7.6871","0.0004","11.1384","0.0006","11.9077","0.0006","78.737","0.002","84.523","0.002","83.307","0.002","990.34","0.09","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H46 Cl2 Fe2 N2 O2 P2 Ru2 -","- C40 H46 Cl2 Fe2 N2 O2 P2 Ru2 -","- C40 H46 Cl2 Fe2 N2 O2 P2 Ru2 -","1","0.5","","Navrátil, Michal; Faria, Erica N.; Panahy, Geve; Císařová, Ivana; Goicoechea, Jose M.; Štěpnička, Petr","Novel ferrocenyl functionalised phosphinecarboxamides: synthesis, characterisation and coordination.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8645","8651","10.1039/d0dt01908a","","","0.71073","MoKα","","0.0412","0.0292","","","0.0581","0.0612","","","","","","1.089","","","","has coordinates","253896","2020-10-21","18:00:00",""
"7704654","20.2447","0.0008","9.5396","0.0004","10.8062","0.0004","90","","94.591","0.002","90","","2080.27","0.14","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl2 Fe N O P Ru -","- C20 H24 Cl2 Fe N O P Ru -","- C80 H96 Cl8 Fe4 N4 O4 P4 Ru4 -","4","1","","Navrátil, Michal; Faria, Erica N.; Panahy, Geve; Císařová, Ivana; Goicoechea, Jose M.; Štěpnička, Petr","Novel ferrocenyl functionalised phosphinecarboxamides: synthesis, characterisation and coordination.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8645","8651","10.1039/d0dt01908a","","","0.71073","MoKα","","0.0256","0.0199","","","0.0443","0.0463","","","","","","1.06","","","","has coordinates","253896","2020-10-21","18:00:00",""
"7704655","11.0602","0.0003","14.4369","0.0004","13.1738","0.0004","90","","92.044","0.001","90","","2102.19","0.1","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 Cl2 Fe2 N2 O2 P2 Rh2 -","- C42 H52 Cl2 Fe2 N2 O2 P2 Rh2 -","- C84 H104 Cl4 Fe4 N4 O4 P4 Rh4 -","2","0.5","","Navrátil, Michal; Faria, Erica N.; Panahy, Geve; Císařová, Ivana; Goicoechea, Jose M.; Štěpnička, Petr","Novel ferrocenyl functionalised phosphinecarboxamides: synthesis, characterisation and coordination.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8645","8651","10.1039/d0dt01908a","","","0.71073","MoKα","","0.056","0.0458","","","0.1153","0.1221","","","","","","1.105","","","","has coordinates","253896","2020-10-21","18:00:00",""
"7704656","25.6521","0.0007","9.061","0.0002","20.9168","0.0006","90","","119.429","0.001","90","","4234.4","0.2","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C42 H52 Cl2 Fe2 N2 O2 P2 Rh2 -","- C42 H52 Cl2 Fe2 N2 O2 P2 Rh2 -","- C168 H208 Cl8 Fe8 N8 O8 P8 Rh8 -","4","0.5","","Navrátil, Michal; Faria, Erica N.; Panahy, Geve; Císařová, Ivana; Goicoechea, Jose M.; Štěpnička, Petr","Novel ferrocenyl functionalised phosphinecarboxamides: synthesis, characterisation and coordination.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8645","8651","10.1039/d0dt01908a","","","0.71073","MoKα","","0.0241","0.0194","","","0.0448","0.0468","","","","","","1.052","","","","has coordinates","253896","2020-10-21","18:00:00",""
"7704657","9.6692","0.0002","9.2447","0.0002","25.8542","0.0006","90","","90","","90","","2311.08","0.09","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","PH2C(O)NHCH2[Fe]","","- C12 H14 Fe N O P -","- C12 H14 Fe N O P -","- C96 H112 Fe8 N8 O8 P8 -","8","1","","Navrátil, Michal; Faria, Erica N.; Panahy, Geve; Císařová, Ivana; Goicoechea, Jose M.; Štěpnička, Petr","Novel ferrocenyl functionalised phosphinecarboxamides: synthesis, characterisation and coordination.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8645","8651","10.1039/d0dt01908a","","","1.54178","CuKα","","0.0336","0.0278","","","0.0661","0.0699","","","","","","1.058","","","","has coordinates","253896","2020-10-21","18:00:00",""
"7704658","10.5277","0.0005","17.6961","0.0008","21.667","0.001","90","","101.098","0.005","90","","3961.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H65 N5 Si3 -","- C37 H65 N5 Si3 -","- C148 H260 N20 Si12 -","4","1","","Do, Dinh Cao Huan; Vasko, Petra; Fuentes, M Ángeles; Hicks, Jamie; Aldridge, Simon","Probing the non-innocent nature of an amino-functionalised β-diketiminate ligand in silylene/iminosilane systems.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8701","8709","10.1039/d0dt01447h","","","1.54184","CuKα","","0.0685","0.0445","","","0.1021","0.1146","","","","","","1.028","","","","has coordinates","253903","2020-10-21","18:00:00",""
"7704659","11.5822","0.0005","22.3841","0.0009","17.9474","0.0009","90","","102.035","0.004","90","","4550.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H71 N4 P Si3 -","- C43 H71 N4 P Si3 -","- C172 H284 N16 P4 Si12 -","4","1","","Do, Dinh Cao Huan; Vasko, Petra; Fuentes, M Ángeles; Hicks, Jamie; Aldridge, Simon","Probing the non-innocent nature of an amino-functionalised β-diketiminate ligand in silylene/iminosilane systems.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8701","8709","10.1039/d0dt01447h","","","0.71073","MoKα","","0.1166","0.0601","","","0.1077","0.1321","","","","","","1.03","","","","has coordinates","253903","2020-10-21","18:00:00",""
"7704660","9.9161","0.0003","10.3439","0.0003","20.8211","0.0009","77.111","0.003","85.335","0.003","72.843","0.003","1988.92","0.13","115","2","115","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H65 N4 P Si3 -","- C37 H65 N4 P Si3 -","- C74 H130 N8 P2 Si6 -","2","1","","Do, Dinh Cao Huan; Vasko, Petra; Fuentes, M Ángeles; Hicks, Jamie; Aldridge, Simon","Probing the non-innocent nature of an amino-functionalised β-diketiminate ligand in silylene/iminosilane systems.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8701","8709","10.1039/d0dt01447h","","","1.54184","CuKα","","0.0368","0.0329","","","0.0884","0.0914","","","","","","1.035","","","","has coordinates","253903","2020-10-21","18:00:00",""
"7704661","19.7161","0.0005","10.7126","0.0002","22.358","0.0005","90","","98.43","0.002","90","","4671.23","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H74 N4 Si5 -","- C40 H74 N4 Si5 -","- C160 H296 N16 Si20 -","4","1","","Do, Dinh Cao Huan; Vasko, Petra; Fuentes, M Ángeles; Hicks, Jamie; Aldridge, Simon","Probing the non-innocent nature of an amino-functionalised β-diketiminate ligand in silylene/iminosilane systems.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8701","8709","10.1039/d0dt01447h","","","1.54184","CuKα","","0.0454","0.0351","","","0.0887","0.0966","","","","","","1.057","","","","has coordinates","253903","2020-10-21","18:00:00",""
"7704662","11.3988","0.0006","13.9723","0.0007","15.4694","0.0008","96.431","0.002","102.599","0.002","106.044","0.002","2271.5","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H48 Cl6 Dy2 N6 O45 -","- C12 H48 Cl6 Dy2 N6 O45 -","- C24 H96 Cl12 Dy4 N12 O90 -","2","1","","Orts-Arroyo, Marta; Castro, Isabel; Lloret, Francesc; Martínez-Lillo, José","Field-induced slow relaxation of magnetisation in two one-dimensional homometallic dysprosium(iii) complexes based on alpha- and beta-amino acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9155","9163","10.1039/d0dt01126f","","","0.71073","MoKα","","0.0344","0.0213","","","0.0439","0.0509","","","","","","1.083","","","","has coordinates","254987","2020-10-21","18:00:00",""
"7704663","9.1227","0.0008","12.7414","0.0012","21.5663","0.0017","76.278","0.003","81.27","0.003","82.225","0.003","2394.1","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H52 Cl6 Dy2 N6 O41 -","- C18 H52 Cl6 Dy2 N6 O41 -","- C36 H104 Cl12 Dy4 N12 O82 -","2","1","","Orts-Arroyo, Marta; Castro, Isabel; Lloret, Francesc; Martínez-Lillo, José","Field-induced slow relaxation of magnetisation in two one-dimensional homometallic dysprosium(iii) complexes based on alpha- and beta-amino acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9155","9163","10.1039/d0dt01126f","","","0.71073","MoKα","","0.032","0.023","","","0.0507","0.0554","","","","","","0.982","","","","has coordinates","254987","2020-10-21","18:00:00",""
"7704664","21.6397","0.0005","10.48","0.0002","26.8204","0.0006","90","","104.348","0.002","90","","5892.7","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C40 H48 Cu2 N18 O9 Pd2 -","- C40 H48 Cu2 N18 O9 Pd2 -","- C160 H192 Cu8 N72 O36 Pd8 -","4","0.5","","Mishra, Soumya; Paital, Biswaranjan; Sahoo, Himansu Sekhar; Pati, Samar Gaurav; Tripathy, Debakanta; Debata, Niladri Bihari","A discrete Cu<sub>2</sub>(Pd-bpy)<sub>2</sub>L<sub>2</sub> heterometallic compound with superoxide dismutase enzyme like activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8850","8854","10.1039/d0dt00920b","","","1.54184","CuKα","","0.071","0.0592","","","0.1747","0.1848","","","","","","1.062","","","","has coordinates","254995","2020-10-21","18:00:00",""
"7704665","25.4632","0.0006","10.9818","0.0003","15.7522","0.0004","90","","127.936","0.0008","90","","3474.09","0.16","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H20.5 B1.5 F6 N8 O0.5 Zn -","- C10 H20.5 B1.5 F6 N8 O0.5 Zn -","- C80 H164 B12 F48 N64 O4 Zn8 -","8","1","","Yu, Yuan-Hsiang; Wang, Wun-Shiuan; Hu, Yu-Chung; Lin, Xiao-Yuan; Tsai, Chih-Hung; Shih, Chun-Jyun; Huang, Wei-Chih; Peng, Shie-Ming; Lee, Gene-Hsiang","A frontier Zn- and N-rich complex grafted onto reduced graphene oxide for the electrocatalysis of dye-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9035","9047","10.1039/d0dt01191f","","","0.71073","MoKα","","0.0295","0.0233","","","0.0557","0.0606","","","","","","1.076","","","","has coordinates,has disorder","254990","2020-10-21","18:00:00",""
"7704666","21.757","0.003","21.757","0.003","62.923","0.013","90","","90","","90","","29786","8","80","2","80","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C272 H227 B3 Cl2 F12 N25 O8 Pd4 -","- C272 H227 B3 Cl2 F12 N25 O8 Pd4 -","- C1088 H908 B12 Cl8 F48 N100 O32 Pd16 -","4","0.25","","Pullen, Sonja; Löffler, Susanne; Platzek, André; Holstein, Julian J.; Clever, Guido H.","Substrate and product binding inside a stimuli-responsive coordination cage acting as a singlet oxygen photosensitizer.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9404","9410","10.1039/d0dt01674h","","","0.5636","synchrotron","","0.1824","0.1608","","","0.557","0.5754","","","","","","2.566","","","","has coordinates,has disorder","254979","2020-10-21","18:00:00",""
"7704667","21.837","0.002","21.837","0.002","62.93","0.006","90","","90","","90","","30008","5","100","2","100","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C270 H224 B3 Cl2.5 F12 N24 O10 Pd4 -","- C270 H224 B3 Cl2.5 F12 N24 O10 Pd4 -","- C1080 H896 B12 Cl10 F48 N96 O40 Pd16 -","4","0.25","","Pullen, Sonja; Löffler, Susanne; Platzek, André; Holstein, Julian J.; Clever, Guido H.","Substrate and product binding inside a stimuli-responsive coordination cage acting as a singlet oxygen photosensitizer.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9404","9410","10.1039/d0dt01674h","","","1.54178","CuKα","","0.2156","0.1677","","","0.5024","0.5366","","","","","","2.135","","","","has coordinates,has disorder","254979","2020-10-21","18:00:00",""
"7704668","7.5171","0.0005","9.6401","0.0006","13.3389","0.0008","101.493","0.002","98.976","0.002","99.952","0.002","914.63","0.1","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H38 Cl4 Cu2 N6 O10 S2 -","- C26 H38 Cl4 Cu2 N6 O10 S2 -","- C26 H38 Cl4 Cu2 N6 O10 S2 -","1","0.5","","Balakrishnan, Nithya; Haribabu, Jebiti; Dhanabalan, Ananda Krishnan; Swaminathan, Srividya; Sun, Sijia; Dibwe, Dya Fita; Bhuvanesh, Nattamai; Awale, Suresh; Karvembu, Ramasamy","Thiosemicarbazone(s)-anchored water soluble mono- and bimetallic Cu(ii) complexes: enzyme-like activities, biomolecular interactions, anticancer property and real-time live cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9411","9424","10.1039/d0dt01309a","","","0.71073","MoKα","","0.055","0.0397","","","0.0682","0.0725","","","","","","1.107","","","","has coordinates","254980","2020-10-21","18:00:00",""
"7704669","9.3084","0.0005","11.155","0.0006","13.8573","0.0008","90","","109.42","0.002","90","","1357.01","0.13","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H9.68 Cl2 Cu N3 O2.34 S -","- C11 H9.68 Cl2 Cu N3 O2.34 S -","- C44 H38.72 Cl8 Cu4 N12 O9.36 S4 -","4","1","","Balakrishnan, Nithya; Haribabu, Jebiti; Dhanabalan, Ananda Krishnan; Swaminathan, Srividya; Sun, Sijia; Dibwe, Dya Fita; Bhuvanesh, Nattamai; Awale, Suresh; Karvembu, Ramasamy","Thiosemicarbazone(s)-anchored water soluble mono- and bimetallic Cu(ii) complexes: enzyme-like activities, biomolecular interactions, anticancer property and real-time live cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9411","9424","10.1039/d0dt01309a","","","0.71073","MoKα","","0.055","0.0382","","","0.0732","0.0792","","","","","","1.099","","","","has coordinates,has disorder","254980","2020-10-21","18:00:00",""
"7704670","10.3537","0.0003","13.2809","0.0007","13.4937","0.0008","104.271","0.005","97.866","0.004","96.771","0.003","1758.93","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H88 K2 O27 W2 -","- C50 H80 K2.001 O26 W2 -","- C50 H80 K2.001 O26 W2 -","1","0.5","","Ostrowski, Joseph P. A.; Atkinson, Benjamin E.; Doyle, Laurence R.; Wooles, Ashley J.; Kaltsoyannis, Nikolas; Liddle, Stephen T.","The ditungsten decacarbonyl dianion.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9330","9335","10.1039/d0dt01921f","","x-ray","0.71073","MoKα","","0.0737","0.0645","","","0.1645","0.1715","","","","","","1.122","","","","has coordinates,has disorder","254976","2020-10-21","18:00:00",""
"7704671","17.9901","0.0018","19.0049","0.0019","28.923","0.003","89.17","0.005","72.435","0.005","62.773","0.005","8293.6","1.5","100","2","100.02","","","","","","","","","7","P -1","-P 1","2","","","","- C165 H167 B4 Cl9 Co4 N40 O2 -","- C165 H167 B4 Cl9 Co4 N40 O2 -","- C330 H334 B8 Cl18 Co8 N80 O4 -","2","1","","Guo, Zhilin; Deng, Yi-Fei; Zhang, Yipei; Pikramenou, Zoe; Zhang, Yuan-Zhu","Two azido-bridged [2×2] cobalt(ii) grids featuring single-molecule magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9218","9222","10.1039/d0dt01461c","","","0.71073","MoKα","","0.0664","0.0506","","","0.1218","0.1315","","","","","","1.074","","","","has coordinates,has disorder","254971","2020-10-21","18:00:00",""
"7704672","17.3694","0.0014","17.3694","0.0014","43.223","0.006","90","","90","","90","","13040","2","150","2","150","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C156 H126 B4 Co4 N30 -","- C156 H126 B4 Co4 N30 -","- C624 H504 B16 Co16 N120 -","4","0.25","","Guo, Zhilin; Deng, Yi-Fei; Zhang, Yipei; Pikramenou, Zoe; Zhang, Yuan-Zhu","Two azido-bridged [2×2] cobalt(ii) grids featuring single-molecule magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9218","9222","10.1039/d0dt01461c","","","0.71073","MoKα","","0.0616","0.0356","","","0.069","0.0761","","","","","","1.032","","","","has coordinates,has disorder","254971","2020-10-21","18:00:00",""
"7704673","16.3634","0.0013","22.2895","0.0017","38.292","0.003","103.235","0.003","91.953","0.003","109.093","0.003","12757","1.8","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C188 H183 F24 N8 O40 Rh8 S8 -","- C188 H183 F24 N8 O40 Rh8 S8 -","- C376 H366 F48 N16 O80 Rh16 S16 -","2","1","","Yu, Wei-Bin; Qiu, Feng-Yi; Sun, Po; Shi, Hua-Tian; Xin, Zhi-Feng","A new supramolecular catalytic system: the self-assembly of Rh8 cage host anthracene molecules for [4 + 4] cycloaddition induced by UV irradiation.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9688","9693","10.1039/d0dt01978j","","","1.34138","GaKα","","0.0805","0.0732","","","0.2176","0.2261","","","","","","1.09","","","","has coordinates","254958","2020-10-21","18:00:00",""
"7704674","6.4434","0.0006","17.1407","0.0015","17.5328","0.0016","90","","91.331","0.001","90","","1935.9","0.3","103","","103","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Fe Mo O6 P S2 -","- C15 H13 Fe Mo O6 P S2 -","- C60 H52 Fe4 Mo4 O24 P4 S8 -","4","1","","Tsukada, Satoru; Abe, Takayuki; Abe, Naoya; Nakashima, Satoru; Yamamoto, Kazuki; Gunji, Takahiro","Benzenedithiolate-bridged MoFe complexes: structures, oxidation states, and reactivities.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9048","9056","10.1039/d0dt01428a","","","0.71073","MoKα","","0.0333","0.0325","","","0.0933","0.0941","","","","","","1.057","","","","has coordinates","254988","2020-10-21","18:00:00",""
"7704675","9.5169","0.0014","13.927","0.0019","10.861","0.0016","90","","110.696","0.003","90","","1346.6","0.3","103","","103","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Fe2 Mo0 O4 P2 S4 -","- C22 H26 Fe2 O4 P2 S4 -","- C44 H52 Fe4 O8 P4 S8 -","2","0.5","","Tsukada, Satoru; Abe, Takayuki; Abe, Naoya; Nakashima, Satoru; Yamamoto, Kazuki; Gunji, Takahiro","Benzenedithiolate-bridged MoFe complexes: structures, oxidation states, and reactivities.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9048","9056","10.1039/d0dt01428a","","","0.71073","MoKα","","0.1273","0.0737","","","0.1434","0.1616","","","","","","1.075","","","","has coordinates","254988","2020-10-21","18:00:00",""
"7704676","13.9751","0.0011","12.735","0.001","25.293","0.002","90","","90","","90","","4501.5","0.6","103","","103","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H22 Fe Mo O5 P2 S2 -","- C17 H22 Fe Mo O5 P2 S2 -","- C136 H176 Fe8 Mo8 O40 P16 S16 -","8","1","","Tsukada, Satoru; Abe, Takayuki; Abe, Naoya; Nakashima, Satoru; Yamamoto, Kazuki; Gunji, Takahiro","Benzenedithiolate-bridged MoFe complexes: structures, oxidation states, and reactivities.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9048","9056","10.1039/d0dt01428a","","","0.71073","MoKα","","0.043","0.0325","","","0.0705","0.0742","","","","","","1.07","","","","has coordinates","254988","2020-10-21","18:00:00",""
"7704677","13.7106","0.0005","9.7609","0.0006","35.2338","0.0014","90","","96.509","0.004","90","","4684.9","0.4","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C44 H56 Co3 N4 O22 -","- C44 H56 Co3 N4 O22 -","- C176 H224 Co12 N16 O88 -","4","0.5","","Paul, Aparup; Viciano-Chumillas, Marta; Puschmann, Horst; Cano, Joan; Manna, Subal Chandra","Field-induced slow magnetic relaxation in mixed valence di- and tri-nuclear Co<sup>II</sup>-Co<sup>III</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9516","9528","10.1039/d0dt00588f","","x-ray","0.71073","MoKα","","0.077","0.0615","","","0.1084","0.1143","","","","","","1.198","","","","has coordinates","254975","2020-10-21","18:00:00",""
"7704678","15.5739","0.0007","19.9284","0.0009","12.7149","0.0006","90","","112.967","0.0006","90","","3633.4","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ICVU-218","","","- C35 H48 Co2 N3 O10 -","- C35 H48 Co2 N3 O10 -","- C140 H192 Co8 N12 O40 -","4","1","","Paul, Aparup; Viciano-Chumillas, Marta; Puschmann, Horst; Cano, Joan; Manna, Subal Chandra","Field-induced slow magnetic relaxation in mixed valence di- and tri-nuclear Co<sup>II</sup>-Co<sup>III</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9516","9528","10.1039/d0dt00588f","","","0.71073","MoKα","","0.0572","0.0369","","","0.0904","0.0989","","","","","","1.044","","","","has coordinates,has disorder","254975","2020-10-21","18:00:00",""
"7704679","18.4493","0.0002","21.2072","0.0002","10.7787","0.0003","90","","90","","90","","4217.25","0.13","180","","180","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C48 H52 Fe P4 Si -","- C48 H52 Fe P4 Si -","- C192 H208 Fe4 P16 Si4 -","4","0.5","","Chang, Guoliang; Zhang, Peng; Yang, Wenjing; Xie, Shangqing; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Pyridine N-oxide promoted hydrosilylation of carbonyl compounds catalyzed by [PSiP]-pincer iron hydrides.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9349","9354","10.1039/d0dt00392a","","","1.34143","GaKα","","0.0326","0.0282","","","0.0764","0.0789","","","","","","1.049","","","","has coordinates,has disorder","254970","2020-10-21","18:00:00",""
"7704680","9.102","0.002","6.4092","0.0016","25.794","0.007","90","","97.278","0.003","90","","1492.6","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B7 Ba O15 Rb3 Te -","- B7 Ba O15 Rb3 Te -","- B28 Ba4 O60 Rb12 Te4 -","4","1","","Sun, Jun; Mutailipu, Miriding; Cheng, Shichao; Yang, Zhihua; Pan, Shilie","Rb<sub>3</sub>BaTeB<sub>7</sub>O<sub>15</sub>: a novel [B<sub>7</sub>O<sub>16</sub>] fundamental building block in a new telluroborate with [TeO<sub>3</sub>] polyhedra.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8911","8917","10.1039/d0dt01102a","","","0.71073","MoKα","","0.0424","0.03","","","0.0598","0.0654","","","","","","1.001","","","","has coordinates","254994","2020-10-21","18:00:00",""
"7704681","9.5856","0.0007","15.5741","0.0011","13.7797","0.001","90","","90","","90","","2057.1","0.3","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C14 H12 Au2 Fe N8 -","- C14 H12 Au2 Fe N8 -","- C56 H48 Au8 Fe4 N32 -","4","0.5","","Kitase, Kosuke; Kitazawa, Takafumi","A novel two-step Fe-Au type spin-crossover behavior in a Hofmann-type coordination complex {Fe(4-methylpyrimidine)<sub>2</sub>[Au(CN)<sub>2</sub>]<sub>2</sub>}.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12210","12214","10.1039/d0dt01681k","","","0.71073","MoKα","","0.055","0.0295","","","0.066","0.0749","","","","","","1.05","","","","has coordinates,has disorder","257561","2020-10-21","18:00:00",""
"7704682","9.5273","0.0009","14.8094","0.0015","13.5467","0.0013","90","","90","","90","","1911.4","0.3","150","2","150","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C14 H12 Au2 Fe N8 -","- C14 H12 Au2 Fe N8 -","- C56 H48 Au8 Fe4 N32 -","4","0.5","","Kitase, Kosuke; Kitazawa, Takafumi","A novel two-step Fe-Au type spin-crossover behavior in a Hofmann-type coordination complex {Fe(4-methylpyrimidine)<sub>2</sub>[Au(CN)<sub>2</sub>]<sub>2</sub>}.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12210","12214","10.1039/d0dt01681k","","","0.71073","MoKα","","0.041","0.0231","","","0.0507","0.0567","","","","","","1.065","","","","has coordinates,has disorder","257561","2020-10-21","18:00:00",""
"7704683","9.554","0.004","13.698","0.006","15.262","0.007","90","","90.387","0.007","90","","1997.3","1.5","190","2","190","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H12 Au2 Fe N8 -","- C14 H12 Au2 Fe N8 -","- C56 H48 Au8 Fe4 N32 -","4","1","","Kitase, Kosuke; Kitazawa, Takafumi","A novel two-step Fe-Au type spin-crossover behavior in a Hofmann-type coordination complex {Fe(4-methylpyrimidine)<sub>2</sub>[Au(CN)<sub>2</sub>]<sub>2</sub>}.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12210","12214","10.1039/d0dt01681k","","","0.71073","MoKα","","0.1673","0.0802","","","0.1853","0.2247","","","","","","1.114","","","","has coordinates,has disorder","257561","2020-10-21","18:00:00",""
"7704684","8.9101","0.0005","12.1453","0.0007","23.8104","0.0015","90","","90.565","0.003","90","","2576.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Co N10 -","- C26 H32 Co N10 -","- C104 H128 Co4 N40 -","4","1","","Ghosh, Subrata; Selvamani, Subramani; Mehta, Sakshi; Mondal, Abhishake","Reversible thermo-induced spin crossover in a mononuclear cis-dicyanamido-cobalt(ii) complex containing a macrocyclic tetradentate ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9208","9212","10.1039/d0dt01888k","","","0.71073","MoKα","","0.0891","0.0457","","","0.0903","0.1061","","","","","","1.02","","","","has coordinates","254972","2020-10-21","18:00:00",""
"7704685","9.0233","0.0006","12.2234","0.0007","24.3561","0.0017","90","","92.471","0.003","90","","2683.9","0.3","280","2","280","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Co N10 -","- C26 H32 Co N10 -","- C104 H128 Co4 N40 -","4","1","","Ghosh, Subrata; Selvamani, Subramani; Mehta, Sakshi; Mondal, Abhishake","Reversible thermo-induced spin crossover in a mononuclear cis-dicyanamido-cobalt(ii) complex containing a macrocyclic tetradentate ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9208","9212","10.1039/d0dt01888k","","","0.71073","MoKα","","0.1577","0.0536","","","0.092","0.12","","","","","","1.003","","","","has coordinates","254972","2020-10-21","18:00:00",""
"7704686","16.6529","0.0008","10.2535","0.0004","17.6988","0.0008","90","","91.657","0.002","90","","3020.8","0.2","102","2","102","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 N4 Os P2 -","- C28 H46 N4 Os P2 -","- C112 H184 N16 Os4 P8 -","4","1","","Ramler, Jacqueline; Radacki, Krzysztof; Abbenseth, Josh; Lichtenberg, Crispin","Combined experimental and theoretical studies towards mutual osmium-bismuth donor/acceptor bonding.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9024","9034","10.1039/d0dt01663b","","","0.71073","MoKα","","0.0573","0.0334","","","0.0554","0.0612","","","","","","1.051","","","","has coordinates","254992","2020-10-21","18:00:00",""
"7704687","12.6673","0.0004","13.6362","0.0004","17.3873","0.0005","90","","90","","90","","3003.38","0.16","102","2","102","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H46 Cl N4 Os P2 -","- C28 H46 Cl N4 Os P2 -","- C112 H184 Cl4 N16 Os4 P8 -","4","0.5","","Ramler, Jacqueline; Radacki, Krzysztof; Abbenseth, Josh; Lichtenberg, Crispin","Combined experimental and theoretical studies towards mutual osmium-bismuth donor/acceptor bonding.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9024","9034","10.1039/d0dt01663b","","","0.71073","MoKα","","0.0369","0.024","","","0.0395","0.0423","","","","","","1.039","","","","has coordinates","254992","2020-10-21","18:00:00",""
"7704688","13.2411","0.0004","15.4304","0.0003","13.5367","0.0003","90","","115.709","0.003","90","","2491.97","0.12","183","0.1","183","0.1","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","","","- C46 H64 Bi F6 N4 O Os P2 Sb -","- C46 H64 Bi F6 N4 O Os P2 Sb -","- C92 H128 Bi2 F12 N8 O2 Os2 P4 Sb2 -","2","0.5","","Ramler, Jacqueline; Radacki, Krzysztof; Abbenseth, Josh; Lichtenberg, Crispin","Combined experimental and theoretical studies towards mutual osmium-bismuth donor/acceptor bonding.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9024","9034","10.1039/d0dt01663b","","","0.71073","MoKα","","0.0412","0.0332","","","0.0797","0.0831","","","","","","1.038","","","","has coordinates,has disorder","254992","2020-10-21","18:00:00",""
"7704689","12.6934","0.0005","18.0522","0.0006","22.1871","0.0008","90","","104.476","0.001","90","","4922.6","0.3","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C45 H63 Bi F3 N5 O4 Os P2 S -","- C45 H63 Bi F3 N5 O4 Os P2 S -","- C180 H252 Bi4 F12 N20 O16 Os4 P8 S4 -","4","1","","Ramler, Jacqueline; Radacki, Krzysztof; Abbenseth, Josh; Lichtenberg, Crispin","Combined experimental and theoretical studies towards mutual osmium-bismuth donor/acceptor bonding.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9024","9034","10.1039/d0dt01663b","","","0.71073","MoKα","","0.0286","0.0224","","","0.0518","0.0535","","","","","","1.028","","","","has coordinates,has disorder","254992","2020-10-21","18:00:00",""
"7704690","7.49","0.0015","9.3","0.0019","9.94","0.002","63.28","0.03","82.11","0.03","87.78","0.03","612.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag2 As2 Cs2 S5 -","- Ag2 As2 Cs2 S5 -","- Ag4 As4 Cs4 S10 -","2","1","","Yan, Dongming; Xiao, Yu; Liu, Chang; Hou, Peipei; Chai, Wenxiang; Hosono, Hideo; Lin, Hua; Liu, Yi","Two new members in the quaternary Cs-Ag-As-S family with different arrangements of Ag-S and As-S asymmetric building units: syntheses, structures, and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9743","9750","10.1039/d0dt01375g","","","0.71073","MoKα","","0.0346","0.0257","","","0.0407","0.0427","","","","","","1.074","","","","has coordinates","254964","2020-10-21","18:00:00",""
"7704691","27.76","0.006","6.98","0.0014","19.68","0.004","90","","109.85","0.03","90","","3586.7","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ag As4 Cs3 S8 -","- Ag As4 Cs3 S8 -","- Ag8 As32 Cs24 S64 -","8","1","","Yan, Dongming; Xiao, Yu; Liu, Chang; Hou, Peipei; Chai, Wenxiang; Hosono, Hideo; Lin, Hua; Liu, Yi","Two new members in the quaternary Cs-Ag-As-S family with different arrangements of Ag-S and As-S asymmetric building units: syntheses, structures, and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9743","9750","10.1039/d0dt01375g","","","0.71073","MoKα","","0.1145","0.0858","","","0.2279","0.3058","","","","","","1.108","","","","has coordinates","254964","2020-10-21","18:00:00",""
"7704692","7.9659","0.0012","10.0866","0.0013","8.5204","0.0019","90","","91.881","0.015","90","","684.2","0.2","290","1","290","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N6 -","- C12 H20 N6 -","- C24 H40 N12 -","2","0.5","","Książek, Maria; Weselski, Marek; Dreczko, Agnieszka; Maliuzhenko, Vladyslav; Kaźmierczak, Marcin; Tołoczko, Aleksandra; Kusz, Joachim; Bronisz, Robert","Two ways of spin crossover in an iron(ii) coordination polymer associated with conformational changes of a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9811","9819","10.1039/d0dt01696a","","","0.71073","MoKα","","0.0849","0.0765","","","0.259","0.2661","","","","","","1.138","","","","has coordinates,has disorder","254962","2020-10-21","18:00:00",""
"7704693","12.6332","0.0005","12.6307","0.0005","20.0943","0.0008","76.144","0.004","75.831","0.004","83.005","0.003","3011.6","0.2","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H66 Cl2 Fe N20 O8 -","- C40 H66 Cl2 Fe N20 O8 -","- C80 H132 Cl4 Fe2 N40 O16 -","2","1","","Książek, Maria; Weselski, Marek; Dreczko, Agnieszka; Maliuzhenko, Vladyslav; Kaźmierczak, Marcin; Tołoczko, Aleksandra; Kusz, Joachim; Bronisz, Robert","Two ways of spin crossover in an iron(ii) coordination polymer associated with conformational changes of a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9811","9819","10.1039/d0dt01696a","","","1.54184","CuKα","","0.1381","0.1165","","","0.3002","0.3295","","","","","","1.227","","","","has coordinates,has disorder","254962","2020-10-21","18:00:00",""
"7704694","10.5853","0.0003","12.3116","0.0004","12.3848","0.0003","84.833","0.002","74.339","0.002","73.659","0.002","1491.14","0.08","170","1","170","1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H66 Cl2 Fe N20 O8 -","- C40 H66 Cl2 Fe N20 O8 -","- C40 H66 Cl2 Fe N20 O8 -","1","0.5","","Książek, Maria; Weselski, Marek; Dreczko, Agnieszka; Maliuzhenko, Vladyslav; Kaźmierczak, Marcin; Tołoczko, Aleksandra; Kusz, Joachim; Bronisz, Robert","Two ways of spin crossover in an iron(ii) coordination polymer associated with conformational changes of a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9811","9819","10.1039/d0dt01696a","","","0.71073","MoKα","","0.1123","0.1018","","","0.304","0.3227","","","","","","1.419","","","","has coordinates,has disorder","254962","2020-10-21","18:00:00",""
"7704695","10.4994","0.0002","12.245","0.0004","12.1324","0.0003","84.628","0.002","73.424","0.002","72.557","0.002","1426.18","0.07","80","1","80","1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H66 Cl2 Fe N20 O8 -","- C40 H66 Cl2 Fe N20 O8 -","- C40 H66 Cl2 Fe N20 O8 -","1","0.5","","Książek, Maria; Weselski, Marek; Dreczko, Agnieszka; Maliuzhenko, Vladyslav; Kaźmierczak, Marcin; Tołoczko, Aleksandra; Kusz, Joachim; Bronisz, Robert","Two ways of spin crossover in an iron(ii) coordination polymer associated with conformational changes of a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9811","9819","10.1039/d0dt01696a","","","0.71073","MoKα","","0.1148","0.1064","","","0.3319","0.3481","","","","","","1.606","","","","has coordinates,has disorder","254962","2020-10-21","18:00:00",""
"7704696","12.5034","0.0004","12.4324","0.0004","19.9466","0.0006","76.225","0.003","75.945","0.003","83.381","0.003","2915.88","0.17","80","1","80","1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H66 Cl2 Fe N20 O8 -","- C40 H66 Cl2 Fe N20 O8 -","- C80 H132 Cl4 Fe2 N40 O16 -","2","1","","Książek, Maria; Weselski, Marek; Dreczko, Agnieszka; Maliuzhenko, Vladyslav; Kaźmierczak, Marcin; Tołoczko, Aleksandra; Kusz, Joachim; Bronisz, Robert","Two ways of spin crossover in an iron(ii) coordination polymer associated with conformational changes of a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9811","9819","10.1039/d0dt01696a","","","1.54184","CuKα","","0.136","0.1075","","","0.3032","0.3362","","","","","","1.295","","","","has coordinates,has disorder","254962","2020-10-21","18:00:00",""
"7704697","10.6081","0.0004","12.2651","0.0005","12.2885","0.0005","82.533","0.003","72.69","0.004","72.256","0.004","1452.46","0.11","80","1","80","1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H66 Cl2 Fe N20 O8 -","- C40 H66 Cl2 Fe N20 O8 -","- C40 H66 Cl2 Fe N20 O8 -","1","0.5","","Książek, Maria; Weselski, Marek; Dreczko, Agnieszka; Maliuzhenko, Vladyslav; Kaźmierczak, Marcin; Tołoczko, Aleksandra; Kusz, Joachim; Bronisz, Robert","Two ways of spin crossover in an iron(ii) coordination polymer associated with conformational changes of a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9811","9819","10.1039/d0dt01696a","","","0.71073","MoKα","","0.1065","0.0865","","","0.2439","0.2655","","","","","","1.217","","","","has coordinates,has disorder","254962","2020-10-21","18:00:00",""
"7704698","10.5814","0.0009","12.2474","0.0011","12.3911","0.001","84.459","0.007","74.221","0.007","73.784","0.008","1483.5","0.2","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H66 Cl2 Fe N20 O8 -","- C40 H66 Cl2 Fe N20 O8 -","- C40 H66 Cl2 Fe N20 O8 -","1","0.5","","Książek, Maria; Weselski, Marek; Dreczko, Agnieszka; Maliuzhenko, Vladyslav; Kaźmierczak, Marcin; Tołoczko, Aleksandra; Kusz, Joachim; Bronisz, Robert","Two ways of spin crossover in an iron(ii) coordination polymer associated with conformational changes of a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9811","9819","10.1039/d0dt01696a","","","1.54184","CuKα","","0.1334","0.109","","","0.2838","0.318","","","","","","1.087","","","","has coordinates,has disorder","254962","2020-10-21","18:00:00",""
"7704699","10.7647","0.0012","12.3715","0.0019","12.6339","0.0012","80.904","0.011","71.656","0.01","72.218","0.012","1517.2","0.3","295","1","295","1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H66 Cl2 Fe N20 O8 -","- C40 H66 Cl2 Fe N20 O8 -","- C40 H66 Cl2 Fe N20 O8 -","1","0.5","","Książek, Maria; Weselski, Marek; Dreczko, Agnieszka; Maliuzhenko, Vladyslav; Kaźmierczak, Marcin; Tołoczko, Aleksandra; Kusz, Joachim; Bronisz, Robert","Two ways of spin crossover in an iron(ii) coordination polymer associated with conformational changes of a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9811","9819","10.1039/d0dt01696a","","","0.71073","MoKα","","0.1861","0.1359","","","0.3564","0.4091","","","","","","1.301","","","","has coordinates,has disorder","254962","2020-10-21","18:00:00",""
"7704700","6.8628","0.0002","16.1907","0.0004","34.5806","0.0007","90.292","0.002","92.66","0.002","92.168","0.002","3835.39","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H11 Br Mn N3 O5 -","- C19 H11 Br Mn N3 O5 -","- C152 H88 Br8 Mn8 N24 O40 -","8","4","","Khaled, Rabaa M.; Friedrich, Alexandra; Ragheb, Mohamed A.; Abdel-Ghani, Nour T; Mansour, Ahmed M.","Cytotoxicity of photoactivatable bromo tricarbonyl manganese(i) compounds against human liver carcinoma cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9294","9305","10.1039/d0dt01539c","","x-ray","1.54184","CuKα","","0.1198","0.0981","","","0.2706","0.2852","","","","","","1.059","","","","has coordinates","254981","2020-10-21","18:00:00",""
"7704701","8.9142","0.0019","26.172","0.007","6.8978","0.0018","90","","109.071","0.007","90","","1520.9","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Br Cl Mn N2 O3 -","- C15 H9 Br Cl Mn N2 O3 -","- C60 H36 Br4 Cl4 Mn4 N8 O12 -","4","1","","Khaled, Rabaa M.; Friedrich, Alexandra; Ragheb, Mohamed A.; Abdel-Ghani, Nour T; Mansour, Ahmed M.","Cytotoxicity of photoactivatable bromo tricarbonyl manganese(i) compounds against human liver carcinoma cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9294","9305","10.1039/d0dt01539c","","","0.71073","MoKα","","0.0407","0.0301","","","0.0534","0.056","","","","","","1.045","","","","has coordinates","254981","2020-10-21","18:00:00",""
"7704702","8.7327","0.0017","26.447","0.01","7.04","0.0014","90","","113.752","0.017","90","","1488.2","0.7","100","2","100","2","","","","","","","Methanol","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br Mn N2 O4 -","- C15 H10 Br Mn N2 O4 -","- C60 H40 Br4 Mn4 N8 O16 -","4","1","","Khaled, Rabaa M.; Friedrich, Alexandra; Ragheb, Mohamed A.; Abdel-Ghani, Nour T; Mansour, Ahmed M.","Cytotoxicity of photoactivatable bromo tricarbonyl manganese(i) compounds against human liver carcinoma cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9294","9305","10.1039/d0dt01539c","","","0.71073","MoKα","","0.0298","0.0241","","","0.0512","0.0528","","","","","","1.041","","","","has coordinates","254981","2020-10-21","18:00:00",""
"7704703","7.4133","0.0005","10.1403","0.0008","15.2345","0.0008","90","","90","","90","","1145.22","0.13","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Fe O -","- C15 H14 Fe O -","- C60 H56 Fe4 O4 -","4","1","","Mazur, Maria; Mrozowicz, Michał; Buchowicz, Włodzimierz; Koszytkowska-Stawińska, Mariola; Kamiński, Radosław; Ochal, Zbigniew; Wińska, Patrycja; Bretner, Maria","Formylation of a metathesis-derived <i>ansa</i>[4]-ferrocene: a simple route to anticancer organometallics.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11504","11511","10.1039/d0dt01975e","","","1.54184","CuKα","","0.0708","0.057","","","0.1186","0.1282","","","","1.72","1.72","1.63","","","","has coordinates","256072","2020-10-21","18:00:00",""
"7704704","7.6075","0.0004","11.1031","0.0007","13.2087","0.0006","90","","90","","90","","1115.7","0.1","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Fe O -","- C15 H14 Fe O -","- C60 H56 Fe4 O4 -","4","1","","Mazur, Maria; Mrozowicz, Michał; Buchowicz, Włodzimierz; Koszytkowska-Stawińska, Mariola; Kamiński, Radosław; Ochal, Zbigniew; Wińska, Patrycja; Bretner, Maria","Formylation of a metathesis-derived <i>ansa</i>[4]-ferrocene: a simple route to anticancer organometallics.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11504","11511","10.1039/d0dt01975e","","","1.54184","CuKα","","0.0472","0.0433","","","0.1041","0.1059","","","","1.7","1.7","1.6","","","","has coordinates","256072","2020-10-21","18:00:00",""
"7704705","13.4849","0.0003","13.4849","0.0003","13.4849","0.0003","90","","90","","90","","2452.13","0.09","295","2","295.15","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","","","- Be33 Pt16 Y4 -","- Be33 Pt16 Y4 -","- Be132 Pt64 Y16 -","4","0.0833333","","Amon, Alfred; Svanidze, Eteri; Prots, Yurii; Nicklas, Michael; Burkhardt, Ulrich; Ormeci, Alim; Leithe-Jasper, Andreas; Grin, Yuri","Y<sub>4</sub>Be<sub>33</sub>Pt<sub>16</sub>- a non-centrosymmetric cage superconductor with multi-centre bonding in the framework.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9362","9368","10.1039/d0dt01374a","","","0.71073","MoKα","","0.043","0.043","","0.045","","0.045","","","","","","1.013","","","","has coordinates","254973","2020-10-21","18:00:00",""
"7704706","7.3994","0.0015","10.027","0.002","21.82","0.004","90","","91.18","0.03","90","","1618.6","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 Br Ge N3 -","- C13 H24 Br Ge N3 -","- C52 H96 Br4 Ge4 N12 -","4","1","","Zhou, Xueer; Vasko, Petra; Hicks, Jamie; Fuentes, M Ángeles; Heilmann, Andreas; Kolychev, Eugene L.; Aldridge, Simon","Cooperative N-H bond activation by amido-Ge(ii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9495","9504","10.1039/d0dt01960g","","","1.5418","CuKα","","0.0997","0.0977","","","0.2646","0.2661","","","","","","1.062","","","","has coordinates","254978","2020-10-21","18:00:00",""
"7704707","9.1837","0.0003","11.0396","0.0004","14.5439","0.0005","111.357","0.003","92.618","0.003","90.475","0.003","1371.34","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H33 Cl Ge N P -","- C31 H33 Cl Ge N P -","- C62 H66 Cl2 Ge2 N2 P2 -","2","1","","Zhou, Xueer; Vasko, Petra; Hicks, Jamie; Fuentes, M Ángeles; Heilmann, Andreas; Kolychev, Eugene L.; Aldridge, Simon","Cooperative N-H bond activation by amido-Ge(ii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9495","9504","10.1039/d0dt01960g","","","1.54184","CuKα","","0.0275","0.025","","","0.0653","0.0672","","","","","","1.036","","","","has coordinates","254978","2020-10-21","18:00:00",""
"7704708","13.8454","0.0003","13.2083","0.0003","21.4808","0.0007","90","","90","","90","","3928.28","0.18","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H26 Br Ge N3 -","- C18 H26 Br Ge N3 -","- C144 H208 Br8 Ge8 N24 -","8","1","","Zhou, Xueer; Vasko, Petra; Hicks, Jamie; Fuentes, M Ángeles; Heilmann, Andreas; Kolychev, Eugene L.; Aldridge, Simon","Cooperative N-H bond activation by amido-Ge(ii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9495","9504","10.1039/d0dt01960g","","","1.54184","CuKα","","0.057","0.0406","","","0.0905","0.0983","","","","","","1.052","","","","has coordinates","254978","2020-10-21","18:00:00",""
"7704709","10.2433","0.0006","14.402","0.0008","16.1962","0.0009","95.69","0.005","107.389","0.005","100.633","0.005","2210.4","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H24 Al F36 Ge N3 O4 -","- C29 H24 Al F36 Ge N3 O4 -","- C58 H48 Al2 F72 Ge2 N6 O8 -","2","1","","Zhou, Xueer; Vasko, Petra; Hicks, Jamie; Fuentes, M Ángeles; Heilmann, Andreas; Kolychev, Eugene L.; Aldridge, Simon","Cooperative N-H bond activation by amido-Ge(ii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9495","9504","10.1039/d0dt01960g","","","1.54184","CuKα","","0.0878","0.0778","","","0.2158","0.2304","","","","","","0.984","","","","has coordinates,has disorder","254978","2020-10-21","18:00:00",""
"7704710","10.5246","0.0001","18.4838","0.0003","24.2497","0.0003","90","","98.747","0.001","90","","4662.54","0.11","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Al F36 Ge N3 O4 -","- C34 H26 Al F36 Ge N3 O4 -","- C136 H104 Al4 F144 Ge4 N12 O16 -","4","1","","Zhou, Xueer; Vasko, Petra; Hicks, Jamie; Fuentes, M Ángeles; Heilmann, Andreas; Kolychev, Eugene L.; Aldridge, Simon","Cooperative N-H bond activation by amido-Ge(ii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9495","9504","10.1039/d0dt01960g","","","1.54184","CuKα","","0.1096","0.0938","","","0.2517","0.2713","","","","","","1.075","","","","has coordinates,has disorder","254978","2020-10-21","18:00:00",""
"7704711","12.1911","0.0003","15.3762","0.0006","29.9659","0.001","83.214","0.003","88.694","0.002","87.381","0.002","5571.2","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H33 Al F36 Ge N O4 P -","- C47 H33 Al F36 Ge N O4 P -","- C188 H132 Al4 F144 Ge4 N4 O16 P4 -","4","2","","Zhou, Xueer; Vasko, Petra; Hicks, Jamie; Fuentes, M Ángeles; Heilmann, Andreas; Kolychev, Eugene L.; Aldridge, Simon","Cooperative N-H bond activation by amido-Ge(ii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9495","9504","10.1039/d0dt01960g","","","1.54184","CuKα","","0.0798","0.0647","","","0.1707","0.1824","","","","","","1.023","","","","has coordinates,has disorder","254978","2020-10-21","18:00:00",""
"7704712","80.256","0.0012","29.4338","0.0005","10.7141","0.0002","90","","90","","90","","25309.3","0.7","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C49 H37.5 Al F36.5 Ge N4 O4 -","- C49 H37.5 Al F36.5 Ge N4 O4 -","- C784 H600 Al16 F584 Ge16 N64 O64 -","16","1","","Zhou, Xueer; Vasko, Petra; Hicks, Jamie; Fuentes, M Ángeles; Heilmann, Andreas; Kolychev, Eugene L.; Aldridge, Simon","Cooperative N-H bond activation by amido-Ge(ii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9495","9504","10.1039/d0dt01960g","","","1.54184","CuKα","","0.1172","0.1155","","","0.326","0.3316","","","","","","1.65","","","","has coordinates,has disorder","254978","2020-10-21","18:00:00",""
"7704713","28.6853","0.0007","18.4131","0.0003","29.1049","0.0008","90","","120.236","0.004","90","","13281.4","0.8","150","0.2","150","0.2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C59 H42 Al F36 Ge N2 O4 P -","- C59 H42 Al F36 Ge N2 O4 P -","- C472 H336 Al8 F288 Ge8 N16 O32 P8 -","8","1","","Zhou, Xueer; Vasko, Petra; Hicks, Jamie; Fuentes, M Ángeles; Heilmann, Andreas; Kolychev, Eugene L.; Aldridge, Simon","Cooperative N-H bond activation by amido-Ge(ii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9495","9504","10.1039/d0dt01960g","","x-ray","1.54184","CuKα","","0.0901","0.0669","","","0.1765","0.1958","","","","","","1.026","","","","has coordinates,has disorder","254978","2020-10-21","18:00:00",""
"7704714","11.0633","0.0001","18.7791","0.0002","18.8201","0.0002","61.968","0.001","80.519","0.001","80.424","0.001","3386.38","0.07","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H52 Al Br F36 Ge2 N6 O4 -","- C52 H52 Al Br F36 Ge2 N6 O4 -","- C104 H104 Al2 Br2 F72 Ge4 N12 O8 -","2","1","","Zhou, Xueer; Vasko, Petra; Hicks, Jamie; Fuentes, M Ángeles; Heilmann, Andreas; Kolychev, Eugene L.; Aldridge, Simon","Cooperative N-H bond activation by amido-Ge(ii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9495","9504","10.1039/d0dt01960g","","","1.54184","CuKα","","0.0293","0.0265","","","0.0662","0.0681","","","","","","1.029","","","","has coordinates,has disorder","254978","2020-10-21","18:00:00",""
"7704715","16.6528","0.0001","25.4947","0.0002","35.8638","0.0002","90","","97.859","0.001","90","","15083.3","0.17","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C158 H114 Cl8 Co2 F16 N6 -","- C158 H114 Cl8 Co2 F16 N6 -","- C632 H456 Cl32 Co8 F64 N24 -","4","1","","Zhang, Qiuyue; Wu, Ningning; Xiang, Junfeng; Solan, Gregory A.; Suo, Hongyi; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Bis-cycloheptyl-fused bis(imino)pyridine-cobalt catalysts for PE wax formation: positive effects of fluoride substitution on catalytic performance and thermal stability.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9425","9437","10.1039/d0dt01876g","","x-ray","1.54184","CuKα","","0.0747","0.0569","","","0.1476","0.1606","","","","","","1.016","","","","has coordinates,has disorder","254977","2020-10-21","18:00:00",""
"7704716","18.5816","0.0003","27.4361","0.0002","16.5226","0.0003","90","","116.265","0.002","90","","7553.7","0.2","169.99","0.11","169.99","0.11","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H60 Cl Co F10 N3 O2 -","- C81 H60 Cl Co F10 N3 O2 -","- C324 H240 Cl4 Co4 F40 N12 O8 -","4","1","","Zhang, Qiuyue; Wu, Ningning; Xiang, Junfeng; Solan, Gregory A.; Suo, Hongyi; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Bis-cycloheptyl-fused bis(imino)pyridine-cobalt catalysts for PE wax formation: positive effects of fluoride substitution on catalytic performance and thermal stability.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9425","9437","10.1039/d0dt01876g","","x-ray","1.54184","CuKα","","0.1508","0.1101","","","0.2728","0.3026","","","","","","1.049","","","","has coordinates,has disorder","254977","2020-10-21","18:00:00",""
"7704717","10.4294","0.0004","18.2182","0.0007","20.3353","0.0007","65.813","0.004","76.76","0.004","81.879","0.003","3426","0.2","169.99","0.12","169.99","0.12","","","","","","","","7","P -1","-P 1","2","","","","- C84 H75 Cl4 Co F2 N3 O -","- C84 H75 Cl4 Co F2 N3 O -","- C168 H150 Cl8 Co2 F4 N6 O2 -","2","1","","Zhang, Qiuyue; Wu, Ningning; Xiang, Junfeng; Solan, Gregory A.; Suo, Hongyi; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Bis-cycloheptyl-fused bis(imino)pyridine-cobalt catalysts for PE wax formation: positive effects of fluoride substitution on catalytic performance and thermal stability.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9425","9437","10.1039/d0dt01876g","","x-ray","1.54184","CuKα","","0.137","0.1134","","","0.3074","0.3289","","","","","","1.238","","","","has coordinates","254977","2020-10-21","18:00:00",""
"7704718","15.6079","0.0002","28.3387","0.0004","33.8316","0.0005","90","","92.573","0.001","90","","14948.9","0.4","169.99","0.12","169.99","0.12","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H62 Cl2 Co F10 N3 O0.5 -","- C81 H62 Cl2 Co F10 N3 O0.5 -","- C648 H496 Cl16 Co8 F80 N24 O4 -","8","2","","Zhang, Qiuyue; Wu, Ningning; Xiang, Junfeng; Solan, Gregory A.; Suo, Hongyi; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Bis-cycloheptyl-fused bis(imino)pyridine-cobalt catalysts for PE wax formation: positive effects of fluoride substitution on catalytic performance and thermal stability.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9425","9437","10.1039/d0dt01876g","","x-ray","1.54184","CuKα","","0.1127","0.0919","","","0.2534","0.268","","","","","","1.031","","","","has coordinates","295862","2024-11-09","12:08:13",""
"7704719","14.653","0.0018","22.4069","0.0019","16.827","0.003","90","","110.409","0.017","90","","5178","1.3","120","0.2","120","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H55 O3 P2 Ru W -","- C59 H55 O3 P2 Ru W -","- C236 H220 O12 P8 Ru4 W4 -","4","1","","Safari, Parvin; Moggach, Stephen A.; Low, Paul J.","Mix and (Mis)match: further studies of the electronic structure and mixed-valence characteristics of 1,4-diethynylbenzene-bridged bimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9835","9848","10.1039/d0dt01794a","","x-ray","1.54178","CuKα","","0.1635","0.1053","","","0.26","0.2978","","","","","","1.031","","","","has coordinates,has disorder","254967","2020-10-21","18:00:00",""
"7704720","18.4195","0.0013","20.9254","0.0015","27.3606","0.0019","90","","93.863","0.001","90","","10521.8","1.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C108 H270 Au53.95 Cl12 P18 -","- C108 H270 Au53.9496 Cl12 P18 -","- C216 H540 Au107.899 Cl24 P36 -","2","0.5","","Kenzler, Sebastian; Schrenk, Claudio; Schnepf, Andreas","Au<sub>54</sub>(Et<sub>3</sub>P)<sub>18</sub>Cl<sub>12</sub>: a structurally related cluster to Au<sub>32</sub>(Et<sub>3</sub>P)<sub>12</sub>Cl<sub>8</sub> gives insight into the formation process.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10765","10771","10.1039/d0dt02262d","","x-ray","0.71073","MoKα","","0.0454","0.0307","","","0.0663","0.073","","","","","","1.038","","","","has coordinates,has disorder","256093","2020-10-21","18:00:00",""
"7704721","9.8331","0.0009","10.4055","0.001","11.3375","0.001","102.953","0.005","104.742","0.005","113.592","0.004","956","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 B Cl N2 -","- C23 H18 B Cl N2 -","- C46 H36 B2 Cl2 N4 -","2","1","","Rodrigues, Ana I.; Krishnamoorthy, Paramasivam; Gomes, Clara S. B.; Carmona, Nicolas; Di Paolo, Roberto E.; Pander, Piotr; Pina, João; Sérgio Seixas de Melo, J; Dias, Fernando B.; Calhorda, Maria José; Maçanita, António L; Morgado, Jorge; Gomes, Pedro T.","Luminescent halogen-substituted 2-(N-arylimino)pyrrolyl boron complexes: the internal heavy-atom effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10185","10202","10.1039/d0dt01845g","","x-ray","0.71073","MoKα","","0.0653","0.0386","","","0.0813","0.0876","","","","","","0.984","","","","has coordinates","254942","2020-10-21","18:00:00",""
"7704722","13.7466","0.0007","15.6514","0.0008","18.1015","0.0009","97.133","0.003","96.005","0.003","91.09","0.003","3841.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 B Br N2 -","- C23 H18 B Br N2 -","- C184 H144 B8 Br8 N16 -","8","4","","Rodrigues, Ana I.; Krishnamoorthy, Paramasivam; Gomes, Clara S. B.; Carmona, Nicolas; Di Paolo, Roberto E.; Pander, Piotr; Pina, João; Sérgio Seixas de Melo, J; Dias, Fernando B.; Calhorda, Maria José; Maçanita, António L; Morgado, Jorge; Gomes, Pedro T.","Luminescent halogen-substituted 2-(N-arylimino)pyrrolyl boron complexes: the internal heavy-atom effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10185","10202","10.1039/d0dt01845g","","x-ray","0.71073","MoKα","","0.101","0.0482","","","0.1022","0.1145","","","","","","0.944","","","","has coordinates","254942","2020-10-21","18:00:00",""
"7704723","9.881","0.002","10.408","0.002","11.328","0.003","75.691","0.011","76.723","0.011","82.882","0.011","1095.9","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 B Br N2 -","- C23 H18 B Br N2 -","- C46 H36 B2 Br2 N4 -","2","1","","Rodrigues, Ana I.; Krishnamoorthy, Paramasivam; Gomes, Clara S. B.; Carmona, Nicolas; Di Paolo, Roberto E.; Pander, Piotr; Pina, João; Sérgio Seixas de Melo, J; Dias, Fernando B.; Calhorda, Maria José; Maçanita, António L; Morgado, Jorge; Gomes, Pedro T.","Luminescent halogen-substituted 2-(N-arylimino)pyrrolyl boron complexes: the internal heavy-atom effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10185","10202","10.1039/d0dt01845g","","x-ray","0.71073","MoKα","","0.1089","0.0583","","","0.1412","0.1545","","","","","","0.931","","","","has coordinates","254942","2020-10-21","18:00:00",""
"7704724","20.6162","0.0003","10.9186","0.0004","34.606","0.001","90","","93.872","0.002","90","","7772","0.4","233","2","233","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H39 Cl2 Co N8 O10 -","- C35 H36 Cl2 Co N8 O10 -","- C280 H288 Cl16 Co8 N64 O80 -","8","1","","Badetti, Elena; Lloveras, Vega; Scaramuzzo, Francesca Anna; Wurst, Klaus; Veciana, Jaume; Vidal-Gancedo, José; Licini, Giulia; Zonta, Cristiano","Tris-pyridylmethylamine (TPMA) complexes functionalized with persistent nitronyl nitroxide organic radicals.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10011","10016","10.1039/d0dt01553a","","","0.71073","MoKα","","0.105","0.0532","","","0.1233","0.1418","","","","","","1.033","","","","has coordinates,has disorder","254947","2020-10-21","18:00:00",""
"7704725","11.3545","0.0005","13.8512","0.0006","14.6307","0.0007","80.651","0.002","72.087","0.003","86.64","0.003","2160.3","0.17","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H40 Cl3 Cu N8 O13 -","- C35 H38.05 Cl3 Cu N8 O13 -","- C70 H76.1 Cl6 Cu2 N16 O26 -","2","1","","Badetti, Elena; Lloveras, Vega; Scaramuzzo, Francesca Anna; Wurst, Klaus; Veciana, Jaume; Vidal-Gancedo, José; Licini, Giulia; Zonta, Cristiano","Tris-pyridylmethylamine (TPMA) complexes functionalized with persistent nitronyl nitroxide organic radicals.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10011","10016","10.1039/d0dt01553a","","","0.71073","MoKα","","0.1038","0.0767","","","0.189","0.2083","","","","","","1.048","","","","has coordinates,has disorder","254947","2020-10-21","18:00:00",""
"7704726","12.317","0.005","14.999","0.007","17.394","0.008","79.894","0.009","84.538","0.009","71.908","0.009","3004","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H84 Cu6 N16 O40 -","- C96 H84 Cu6 N16 O40 -","- C96 H84 Cu6 N16 O40 -","1","0.5","","Nath, Hiren; Dutta, Debajit; Sharma, Pranay; Frontera, Antonio; Verma, Akalesh K.; Barceló-Oliver, Miquel; Devi, Mary; Bhattacharyya, Manjit K.","Adipato bridged novel hexanuclear Cu(ii) and polymeric Co(ii) coordination compounds involving cooperative supramolecular assemblies and encapsulated guest water clusters in a square grid host: antiproliferative evaluation and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9863","9881","10.1039/d0dt01007c","","","0.71073","MoKα","","0.1553","0.0866","","","0.234","0.2998","","","","","","1.023","","","","has coordinates","254961","2020-10-21","18:00:00",""
"7704727","8.0383","0.0007","15.1299","0.0014","12.5637","0.0011","90","","129.548","0.006","90","","1178.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Co O9 -","- C6 H18 Co O9 -","- C24 H72 Co4 O36 -","4","1","","Nath, Hiren; Dutta, Debajit; Sharma, Pranay; Frontera, Antonio; Verma, Akalesh K.; Barceló-Oliver, Miquel; Devi, Mary; Bhattacharyya, Manjit K.","Adipato bridged novel hexanuclear Cu(ii) and polymeric Co(ii) coordination compounds involving cooperative supramolecular assemblies and encapsulated guest water clusters in a square grid host: antiproliferative evaluation and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9863","9881","10.1039/d0dt01007c","","","0.71073","MoKα","","0.1674","0.1461","","","0.447","0.4594","","","","","","1.823","","","","has coordinates","254961","2020-10-21","18:00:00",""
"7704728","6.3218","0.0007","24.686","0.003","9.3234","0.0011","90","","100.936","0.002","90","","1428.6","0.3","273","2","273.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H28 Co N4 O5 -","- C28 H28 Co N4 O5 -","- C56 H56 Co2 N8 O10 -","2","1","","Xu, Xuebin; Liu, Meiying; Liu, Zhiliang","Crystal structures and the ferroelectric properties of homochiral metal-organic frameworks constructed from a single chiral ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10402","10406","10.1039/d0dt01323d","","x-ray","0.71073","MoKα","","0.0355","0.0337","","","0.0909","0.092","","","","","","1.068","","","","has coordinates,has disorder","257522","2020-10-21","18:00:00",""
"7704729","6.2526","0.0004","9.2824","0.0006","13.0984","0.0008","82.245","0.001","80.476","0.001","81.335","0.001","736.45","0.08","273","2","273","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H34 Co N4 O8 -","- C28 H30 Co N4 O6 -","- C28 H30 Co N4 O6 -","1","1","","Xu, Xuebin; Liu, Meiying; Liu, Zhiliang","Crystal structures and the ferroelectric properties of homochiral metal-organic frameworks constructed from a single chiral ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10402","10406","10.1039/d0dt01323d","","","0.71073","MoKα","","0.0232","0.0225","","","0.0523","0.0526","","","","","","0.9666","","","","has coordinates","257522","2020-10-21","18:00:00",""
"7704730","18.1602","0.0006","18.1602","0.0006","10.5963","0.0011","90","","90","","90","","3494.6","0.4","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- B20 Cu4 H8 O54 Rb4 -","- B20 Cu4 H8 O54 Rb4 -","- B40 Cu8 H16 O108 Rb8 -","2","0.25","","Liu, Wen-Fang; Qiu, Qi-Ming; Zhang, Mo; Su, Zhao-Min; An, Qingqing; Lv, Hongjin; Jia, Zhiyu; Yang, Guo-Yu","Two new Cu-based borate catalysts with cubic supramolecular cages for efficient catalytic hydrogen evolution.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10156","10161","10.1039/d0dt01994a","","","0.71073","MoKα","","0.0842","0.0739","","","0.2063","0.2213","","","","","","1.051","","","","has coordinates,has disorder","254951","2020-10-21","18:00:00",""
"7704731","18.1973","0.0011","18.1973","0.0011","10.6676","0.0008","90","","90","","90","","3532.5","0.4","299","2","299.15","","","","","","","","","6","I -4","I -4","82","","","","- B5 Cu H12.5 K0.54 Na0.47 O15.5 -","- B5 Cu H8 K0.54 Na0.46 O13.25 -","- B40 Cu8 H64 K4.32 Na3.68 O106 -","8","1","","Liu, Wen-Fang; Qiu, Qi-Ming; Zhang, Mo; Su, Zhao-Min; An, Qingqing; Lv, Hongjin; Jia, Zhiyu; Yang, Guo-Yu","Two new Cu-based borate catalysts with cubic supramolecular cages for efficient catalytic hydrogen evolution.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10156","10161","10.1039/d0dt01994a","","","0.71073","MoKα","","0.0602","0.054","","","0.1496","0.1559","","","","","","1.034","","","","has coordinates,has disorder","254951","2020-10-21","18:00:00",""
"7704732","12.2119","0.0018","20.738","0.003","18.601","0.003","90","","102.689","0.004","90","","4595.7","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H6 Cu F17 N2 -","- C23 H6 Cu F17 N2 -","- C184 H48 Cu8 F136 N16 -","8","2","","Huse, Kevin; Weinert, Hanns; Wölper, Christoph; Schulz, Stephan","Electronic effect of a perfluorinated β-diketiminate ligand on the bonding nature of copper carbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9773","9780","10.1039/d0dt01943g","","","1.54178","CuKα","","0.031","0.03","","","0.0826","0.0834","","","","","","1.057","","","","has coordinates","254965","2020-10-21","18:00:00",""
"7704733","6.5791","0.0005","11.1704","0.0009","14.9997","0.0012","99.422","0.004","97.124","0.004","100.173","0.004","1057.02","0.15","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H6 Al F17 N2 -","- C19 H6 Al F17 N2 -","- C38 H12 Al2 F34 N4 -","2","1","","Huse, Kevin; Weinert, Hanns; Wölper, Christoph; Schulz, Stephan","Electronic effect of a perfluorinated β-diketiminate ligand on the bonding nature of copper carbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9773","9780","10.1039/d0dt01943g","","","1.54178","CuKα","","0.0494","0.0461","","","0.1244","0.1278","","","","","","1.106","","","","has coordinates","254965","2020-10-21","18:00:00",""
"7704734","17.9728","0.0015","11.5328","0.0009","20.5039","0.0017","90","","90","","90","","4250","0.6","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C41 H8 F34 N4 Zn -","- C41 H8 F34 N4 Zn -","- C164 H32 F136 N16 Zn4 -","4","0.5","","Huse, Kevin; Weinert, Hanns; Wölper, Christoph; Schulz, Stephan","Electronic effect of a perfluorinated β-diketiminate ligand on the bonding nature of copper carbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9773","9780","10.1039/d0dt01943g","","","0.71073","MoKα","","0.0915","0.0397","","","0.0737","0.0914","","","","","","1.028","","","","has coordinates,has disorder","254965","2020-10-21","18:00:00",""
"7704735","5.3911","0.0011","9.903","0.002","20.857","0.004","95.811","0.003","95.576","0.003","105.631","0.003","1057.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H5 F17 N2 Zn -","- C19 H5 F17 N2 Zn -","- C38 H10 F34 N4 Zn2 -","2","1","","Huse, Kevin; Weinert, Hanns; Wölper, Christoph; Schulz, Stephan","Electronic effect of a perfluorinated β-diketiminate ligand on the bonding nature of copper carbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9773","9780","10.1039/d0dt01943g","","","0.71073","MoKα","","0.0568","0.0364","","","0.0706","0.0759","","","","","","1.031","","","","has coordinates","254965","2020-10-21","18:00:00",""
"7704736","5.2839","0.0008","9.5521","0.0014","20.684","0.003","82.526","0.007","83.221","0.007","76.884","0.007","1003.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 Cu F17 N2 O -","- C18 Cu F17 N2 O -","- C36 Cu2 F34 N4 O2 -","2","1","","Huse, Kevin; Weinert, Hanns; Wölper, Christoph; Schulz, Stephan","Electronic effect of a perfluorinated β-diketiminate ligand on the bonding nature of copper carbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9773","9780","10.1039/d0dt01943g","","","0.71073","MoKα","","0.0409","0.0329","","","0.0858","0.0899","","","","","","1.086","","","","has coordinates,has disorder","254965","2020-10-21","18:00:00",""
"7704737","14.741","0.0006","20.2602","0.0005","18.8558","0.0007","90","","111.4","0.004","90","","5243.1","0.3","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C46 H44 F2 N6 O6 Sn -","- C46 H44 F2 N6 O6 Sn -","- C184 H176 F8 N24 O24 Sn4 -","4","0.5","","Chrysouli, M. P.; Banti, C. N.; Kourkoumelis, N.; Moushi, E. E.; Tasiopoulos, A. J.; Douvalis, A.; Papachristodoulou, C.; Hatzidimitriou, A. G.; Bakas, T.; Hadjikakou, S. K.","Ciprofloxacin conjugated to diphenyltin(IV): a novel formulation with enhanced antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11522","11535","10.1039/d0dt01665a","","","1.54184","CuKα","","0.0654","0.0523","","","0.1361","0.1428","","","","","","0.992","","","","has coordinates","256074","2020-10-21","18:00:00",""
"7704738","7.8945","0.0007","8.501","0.0007","10.7522","0.0009","87.44","0.007","84.496","0.007","88.912","0.007","717.47","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 F N3 O3 -","- C17 H18 F N3 O3 -","- C34 H36 F2 N6 O6 -","2","1","","Chrysouli, M. P.; Banti, C. N.; Kourkoumelis, N.; Moushi, E. E.; Tasiopoulos, A. J.; Douvalis, A.; Papachristodoulou, C.; Hatzidimitriou, A. G.; Bakas, T.; Hadjikakou, S. K.","Ciprofloxacin conjugated to diphenyltin(IV): a novel formulation with enhanced antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11522","11535","10.1039/d0dt01665a","","","1.54184","CuKα","","0.0683","0.0511","","","0.1345","0.144","","","","","","1.074","","","","has coordinates","256074","2020-10-21","18:00:00",""
"7704739","15.1548","0.0012","19.2532","0.0017","19.4848","0.0013","72.372","0.007","85.842","0.006","89.624","0.007","5403.3","0.8","239","2","239","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H126 Er N11 O15 Zn3 -","- C100 H126 Er N11 O15 Zn3 -","- C200 H252 Er2 N22 O30 Zn6 -","2","1","","Yang, Huan; Gao, Guoshu; Chen, Wanmin; Wang, Li; Liu, Weisheng","Self-assembly of tetranuclear 3d-4f helicates as highly efficient catalysts for CO<sub>2</sub> cycloaddition reactions under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10270","10277","10.1039/d0dt01743d","","x-ray","0.71073","MoKα","","0.1128","0.0643","","","0.1325","0.1647","","","","","","1.025","","","","has coordinates,has disorder","254950","2020-10-21","18:00:00",""
"7704740","15.201","0.0006","19.7221","0.0004","19.7307","0.0005","70.729","0.002","87.962","0.003","85.124","0.002","5563.4","0.3","292","2","291.73","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C101 H130 Dy N11 O17 Zn3 -","- C102 H129 Dy N12 O15 Zn3 -","- C204 H258 Dy2 N24 O30 Zn6 -","2","1","","Yang, Huan; Gao, Guoshu; Chen, Wanmin; Wang, Li; Liu, Weisheng","Self-assembly of tetranuclear 3d-4f helicates as highly efficient catalysts for CO<sub>2</sub> cycloaddition reactions under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10270","10277","10.1039/d0dt01743d","","x-ray","0.71073","MoKα","","0.1031","0.0657","","","0.1377","0.1633","","","","","","1.05","","","","has coordinates,has disorder","254950","2020-10-21","18:00:00",""
"7704741","15.2301","0.0004","19.7361","0.0005","19.7667","0.0006","70.414","0.002","87.94","0.002","85.25","0.002","5578.3","0.3","295.42","0.1","295.42","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C100 H126 Gd N11 O15 Zn3 -","- C100 H126 Gd N11 O15 Zn3 -","- C200 H252 Gd2 N22 O30 Zn6 -","2","1","","Yang, Huan; Gao, Guoshu; Chen, Wanmin; Wang, Li; Liu, Weisheng","Self-assembly of tetranuclear 3d-4f helicates as highly efficient catalysts for CO<sub>2</sub> cycloaddition reactions under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10270","10277","10.1039/d0dt01743d","","x-ray","0.71","MoKα","","0.0852","0.0545","","","0.1174","0.1387","","","","","","1.046","","","","has coordinates,has disorder","254950","2020-10-21","18:00:00",""
"7704742","18.8631","0.0008","26.4584","0.0012","21.3233","0.0008","90","","91.045","0.003","90","","10640.4","0.8","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C103 H96 Cl3 N12 O2 Pt4 S4 -","- C103 H96 Cl3 N12 O2 Pt4 S4 -","- C412 H384 Cl12 N48 O8 Pt16 S16 -","4","1","","Oliveira, Carolina G.; Romero-Canelón, Isolda; Coverdale, James P. C.; Maia, Pedro Ivo S.; Clarkson, Guy J.; Deflon, Victor M.; Sadler, Peter J.","Novel tetranuclear Pd<sup>II</sup> and Pt<sup>II</sup> anticancer complexes derived from pyrene thiosemicarbazones.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9595","9604","10.1039/d0dt01133a","","","0.71073","MoKα","","0.1518","0.0659","","","0.1462","0.1772","","","","","","1.027","","","","has coordinates,has disorder","254963","2020-10-21","18:00:00",""
"7704743","11.4565","0.0013","13.0847","0.0015","21.324","0.003","90","","91.55","0.004","90","","3195.4","0.7","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H25 La N6 O8 -","- C34 H25 La N6 O8 -","- C136 H100 La4 N24 O32 -","4","1","","Musib, Dulal; Pal, Mrityunjoy; Raza, Md Kausar; Roy, Mithun","Photo-physical, theoretical and photo-cytotoxic evaluation of a new class of lanthanide(iii)-curcumin/diketone complexes for PDT application.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10786","10798","10.1039/d0dt02082f","","","0.71073","MoKα","","0.0751","0.0543","","","0.1718","0.1944","","","","","","1.4236","","","","has coordinates","256087","2020-10-21","18:00:00",""
"7704744","15.9066","0.0004","22.4041","0.0006","14.3001","0.0003","90","","90.642","0.002","90","","5095.9","0.2","290","","290","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H27 F6 N6 O2 P Ru -","- C39 H27 F6 N6 O2 P Ru -","- C156 H108 F24 N24 O8 P4 Ru4 -","4","1","","Giri, Bishnubasu; Saini, Taruna; Kumbhakar, Sadananda; Selvan K, Kalai; Muley, Arabinda; Misra, Ashish; Maji, Somnath","Near-IR light-induced photorelease of nitric oxide (NO) on ruthenium nitrosyl complexes: formation, reactivity, and biological effects.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10772","10785","10.1039/d0dt01788d","","x-ray","0.71073","MoKα","","0.0975","0.0636","","","0.172","0.1953","","","","","","0.984","","","","has coordinates","298328","2025-03-07","16:31:41",""
"7704745","10.6228","0.0004","38.0161","0.0017","15.0865","0.0005","90","","94.999","0.003","90","","6069.3","0.4","119.99","0.1","119.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(bis(2,2,2-trifluoroethyl)amino)dihexylaminocyclopropenium chloride semihydrate","","- C46 H70 Cl2 F24 N6 O -","- C46 H70 Cl2 F24 N6 O -","- C184 H280 Cl8 F96 N24 O4 -","4","1","","Curnow, Owen J.; Senthooran, Rathiga","One water to bind a chloride-chloride ion pair: isolation of discrete [Cl<sub>2</sub>(H<sub>2</sub>O)]<sup>2-</sup> in the solid state.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9579","9582","10.1039/d0dt02300k","","x-ray","1.54184","CuKα","","0.1335","0.0699","","","0.1618","0.1879","","","","","","1.002","","","","has coordinates,has disorder","254969","2020-10-21","18:00:00",""
"7704746","9.3905","0.0002","9.3905","0.0002","40.1802","0.0017","90","","90","","120","","3068.46","0.16","200","2","200","2","","","","","","","","6","P 61","P 61","169","","","","- C23 H19 Cl N O P -","- C23 H19 Cl N O P -","- C138 H114 Cl6 N6 O6 P6 -","6","1","","Gericke, Robert; Wagler, Jörg","(2-Pyridyloxy)arsines as ligands in transition metal chemistry: a stepwise As(iii) →As(ii) →As(i) reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10042","10051","10.1039/d0dt01538e","","","0.71073","MoKα","","0.0362","0.0325","","","0.0761","0.0806","","","","","","1.077","","","","has coordinates","254954","2020-10-21","18:00:00",""
"7704747","32.4502","0.0012","7.223","0.0003","13.5042","0.0005","90","","108.146","0.003","90","","3007.8","0.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 As N3 O3 -","- C15 H12 As N3 O3 -","- C120 H96 As8 N24 O24 -","8","1","","Gericke, Robert; Wagler, Jörg","(2-Pyridyloxy)arsines as ligands in transition metal chemistry: a stepwise As(iii) →As(ii) →As(i) reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10042","10051","10.1039/d0dt01538e","","","0.71073","MoKα","","0.0534","0.0468","","","0.0933","0.0954","","","","","","1.256","","","","has coordinates,has disorder","254954","2020-10-21","18:00:00",""
"7704748","8.3588","0.0004","9.2389","0.0004","10.3537","0.0005","85.179","0.004","73.42","0.003","70.026","0.003","720.15","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 As N2 O2 -","- C16 H13 As N2 O2 -","- C32 H26 As2 N4 O4 -","2","1","","Gericke, Robert; Wagler, Jörg","(2-Pyridyloxy)arsines as ligands in transition metal chemistry: a stepwise As(iii) →As(ii) →As(i) reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10042","10051","10.1039/d0dt01538e","","","0.71073","MoKα","","0.0277","0.0257","","","0.0662","0.0673","","","","","","1.111","","","","has coordinates","254954","2020-10-21","18:00:00",""
"7704749","11.7469","0.0005","12.8872","0.0006","16.5916","0.0007","107.717","0.003","105.382","0.003","115.059","0.003","1928.07","0.19","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C35.5 H29.5 As Cl6.5 N2 O2 P Ru -","- C35.5 H29.5 As Cl6.5 N2 O2 P Ru -","- C71 H59 As2 Cl13 N4 O4 P2 Ru2 -","2","1","","Gericke, Robert; Wagler, Jörg","(2-Pyridyloxy)arsines as ligands in transition metal chemistry: a stepwise As(iii) →As(ii) →As(i) reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10042","10051","10.1039/d0dt01538e","","","0.71073","MoKα","","0.0533","0.0398","","","0.0903","0.0969","","","","","","1.085","","","","has coordinates,has disorder","254954","2020-10-21","18:00:00",""
"7704750","16.0117","0.0005","17.9816","0.0005","20.4442","0.0006","114.483","0.002","109.348","0.002","96.11","0.002","4846.5","0.3","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H40 As Cl7 N2 O2 P2 Ru -","- C48 H40 As Cl7 N2 O2 P2 Ru -","- C192 H160 As4 Cl28 N8 O8 P8 Ru4 -","4","2","","Gericke, Robert; Wagler, Jörg","(2-Pyridyloxy)arsines as ligands in transition metal chemistry: a stepwise As(iii) →As(ii) →As(i) reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10042","10051","10.1039/d0dt01538e","","","0.71073","MoKα","","0.0456","0.0336","","","0.0793","0.0844","","","","","","1.034","","","","has coordinates,has disorder","254954","2020-10-21","18:00:00",""
"7704751","12.3889","0.0006","12.8306","0.0006","15.0564","0.0007","97.133","0.004","102.51","0.004","94.659","0.004","2303.93","0.19","200","2","200","2","","","","","","","","9","P -1","-P 1","2","","","","- C47 H39 As Au Cl5 N2 O2 P2 Ru -","- C46 H38 As Au Cl2 N2 O2 P2 Ru -","- C92 H76 As2 Au2 Cl4 N4 O4 P4 Ru2 -","2","1","","Gericke, Robert; Wagler, Jörg","(2-Pyridyloxy)arsines as ligands in transition metal chemistry: a stepwise As(iii) →As(ii) →As(i) reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10042","10051","10.1039/d0dt01538e","","","0.71073","MoKα","","0.0458","0.0333","","","0.0789","0.0854","","","","","","1.065","","","","has coordinates","254954","2020-10-21","18:00:00",""
"7704752","8.5293","0.0004","9.253","0.0004","10.6835","0.0005","90","","105.676","0.004","90","","811.8","0.07","293","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Cl5 Cu4 Na O6 Te2 -","- Cl5 Cu4 Na O6 Te2 -","- Cl10 Cu8 Na2 O12 Te4 -","2","0.25","","Zhu, Bei; Jiang, Jianhua; Zhu, Tianyu; Yang, Haoming; Jin, Yong; Lü, Minfeng","Synthesis, crystal structures, and magnetic properties of one-dimensional alkali metal copper chlor-tellurites A(NH<sub>4</sub>)Cu<sub>4</sub>Te<sub>2</sub>O<sub>6</sub>Cl<sub>6</sub> (A = K, Cs), NaCu<sub>4</sub>Te<sub>2</sub>Cl<sub>5</sub>O<sub>6</sub> and Rb<sub>3</sub>(NH<sub>4</sub>)<sub>2</sub>Cu<sub>12</sub>Te<sub>6</sub>Cl<sub>16.5</sub>O<sub>18</sub>(OH)<sub>0.5</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9751","9761","10.1039/d0dt00037j","","x-ray","0.71073","MoKα","","0.081","0.0518","","","0.0657","0.0677","","","","2.69","2.69","2.34","","","","has coordinates","254957","2020-10-21","18:00:00",""
"7704753","8.5762","0.0002","9.184","0.0002","10.5385","0.0002","90","","101.241","0.0014","90","","814.13","0.03","293","","293","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- Cl6 Cs Cu4 H4 N O6 Te2 -","- Cl6 Cs Cu4 H4 N O6 Te2 -","- Cl12 Cs2 Cu8 H8 N2 O12 Te4 -","2","0.5","","Zhu, Bei; Jiang, Jianhua; Zhu, Tianyu; Yang, Haoming; Jin, Yong; Lü, Minfeng","Synthesis, crystal structures, and magnetic properties of one-dimensional alkali metal copper chlor-tellurites A(NH<sub>4</sub>)Cu<sub>4</sub>Te<sub>2</sub>O<sub>6</sub>Cl<sub>6</sub> (A = K, Cs), NaCu<sub>4</sub>Te<sub>2</sub>Cl<sub>5</sub>O<sub>6</sub> and Rb<sub>3</sub>(NH<sub>4</sub>)<sub>2</sub>Cu<sub>12</sub>Te<sub>6</sub>Cl<sub>16.5</sub>O<sub>18</sub>(OH)<sub>0.5</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9751","9761","10.1039/d0dt00037j","","x-ray","0.71073","MoKα","","0.0779","0.0398","","","0.0528","0.0585","","","","1.56","1.56","1.36","","","","has coordinates","254957","2020-10-21","18:00:00",""
"7704754","8.7465","0.0004","9.1357","0.0004","10.0174","0.0005","90","","90.648","0.004","90","","800.39","0.06","293","","293","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- Cl6 Cu4 H4 K N O6 Te2 -","- Cl6 Cu4 H4 K N O6 Te2 -","- Cl12 Cu8 H8 K2 N2 O12 Te4 -","2","0.25","","Zhu, Bei; Jiang, Jianhua; Zhu, Tianyu; Yang, Haoming; Jin, Yong; Lü, Minfeng","Synthesis, crystal structures, and magnetic properties of one-dimensional alkali metal copper chlor-tellurites A(NH<sub>4</sub>)Cu<sub>4</sub>Te<sub>2</sub>O<sub>6</sub>Cl<sub>6</sub> (A = K, Cs), NaCu<sub>4</sub>Te<sub>2</sub>Cl<sub>5</sub>O<sub>6</sub> and Rb<sub>3</sub>(NH<sub>4</sub>)<sub>2</sub>Cu<sub>12</sub>Te<sub>6</sub>Cl<sub>16.5</sub>O<sub>18</sub>(OH)<sub>0.5</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9751","9761","10.1039/d0dt00037j","","x-ray","0.71073","MoKα","","0.1115","0.0775","","","0.0865","0.1105","","","","3.38","3.38","3.67","","","","has coordinates","254957","2020-10-21","18:00:00",""
"7704755","24.6407","0.0012","9.2132","0.0004","10.6107","0.0005","90","","97.244","0.003","90","","2389.61","0.19","293","","293","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- Cl16.5 Cu12 H8.5 N2 O18.5 Rb3 Te6 -","- Cl16.5 Cu12 H8.5 N2 O18.5 Rb3 Te6 -","- Cl33 Cu24 H17 N4 O37 Rb6 Te12 -","2","0.5","","Zhu, Bei; Jiang, Jianhua; Zhu, Tianyu; Yang, Haoming; Jin, Yong; Lü, Minfeng","Synthesis, crystal structures, and magnetic properties of one-dimensional alkali metal copper chlor-tellurites A(NH<sub>4</sub>)Cu<sub>4</sub>Te<sub>2</sub>O<sub>6</sub>Cl<sub>6</sub> (A = K, Cs), NaCu<sub>4</sub>Te<sub>2</sub>Cl<sub>5</sub>O<sub>6</sub> and Rb<sub>3</sub>(NH<sub>4</sub>)<sub>2</sub>Cu<sub>12</sub>Te<sub>6</sub>Cl<sub>16.5</sub>O<sub>18</sub>(OH)<sub>0.5</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9751","9761","10.1039/d0dt00037j","","x-ray","0.71073","MoKα","","0.0991","0.0452","","","0.0544","0.0666","","","","1.27","1.27","1.14","","","","has coordinates","254957","2020-10-21","18:00:00",""
"7704756","7.7175","0.0004","19.8009","0.0007","10.2623","0.0005","90","","107.634","0.005","90","","1494.53","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Fe K3 O15 -","- C6 H6 Fe K3 O15 -","- C24 H24 Fe4 K12 O60 -","4","1","","Razmara, Zohreh; Janczak, Jan","Synthesis and crystal structure of a new heteronuclear complex of Fe(iii)-K designed to produce effective catalysts for CO hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10498","10508","10.1039/d0dt01230k","","","0.71073","MoKα","","0.0628","0.0395","","","0.0767","0.0864","","","","","","1.013","","","","has coordinates,has disorder","257531","2020-10-21","18:00:00",""
"7704757","16.3033","0.0002","18.5678","0.0002","19.4935","0.0002","90","","104.107","0.001","90","","5723.04","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H102 Fe2 Li O6 P4 -","- C44 H102 Fe2 Li O6 P4 -","- C176 H408 Fe8 Li4 O24 P16 -","4","1","","Kaniewska, Kinga; Ponikiewski, Łukasz; Szynkiewicz, Natalia; Cieślik, Bartłomiej; Pikies, Jerzy; Krzystek, J.; Dragulescu-Andrasi, Alina; Stoian, Sebastian A.; Grubba, Rafał","Homoleptic mono-, di-, and tetra-iron complexes featuring phosphido ligands: a synthetic, structural, and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10091","10103","10.1039/d0dt01503b","","x-ray","1.54184","CuKα","","0.0384","0.0347","","","0.0882","0.0907","","","","","","1.02","","","","has coordinates,has disorder","254955","2020-10-21","18:00:00",""
"7704758","18.1444","0.0011","18.1444","0.0011","26.8759","0.0016","90","","90","","120","","7662.6","0.8","120","2","120","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C41 H96 Fe4 P6 -","- C36 H84 Fe4 P6 -","- C216 H504 Fe24 P36 -","6","0.333333","","Kaniewska, Kinga; Ponikiewski, Łukasz; Szynkiewicz, Natalia; Cieślik, Bartłomiej; Pikies, Jerzy; Krzystek, J.; Dragulescu-Andrasi, Alina; Stoian, Sebastian A.; Grubba, Rafał","Homoleptic mono-, di-, and tetra-iron complexes featuring phosphido ligands: a synthetic, structural, and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10091","10103","10.1039/d0dt01503b","","x-ray","0.71073","MoKα","","0.052","0.0355","","","0.0941","0.0998","","","","","","0.996","","","","has coordinates,has disorder","254955","2020-10-21","18:00:00",""
"7704759","17.6278","0.0006","17.5183","0.0007","24.0113","0.0008","90","","94.002","0.003","90","","7396.8","0.5","121","2","121","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H111 Fe Li O6 P6 Si3 -","- C33 H81 Fe P6 Si3 -","- C132 H324 Fe4 P24 Si12 -","4","1","","Kaniewska, Kinga; Ponikiewski, Łukasz; Szynkiewicz, Natalia; Cieślik, Bartłomiej; Pikies, Jerzy; Krzystek, J.; Dragulescu-Andrasi, Alina; Stoian, Sebastian A.; Grubba, Rafał","Homoleptic mono-, di-, and tetra-iron complexes featuring phosphido ligands: a synthetic, structural, and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10091","10103","10.1039/d0dt01503b","","x-ray","0.71073","MoKα","","0.1346","0.0911","","","0.2325","0.2647","","","","","","1.05","","","","has coordinates,has disorder","254955","2020-10-21","18:00:00",""
"7704760","11.8564","0.0003","22.9887","0.0006","25.0177","0.0007","86.698","0.002","89.512","0.002","83.754","0.002","6767.2","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H205 Fe4 Li2 O13 P10 -","- C126 H205 Fe4 Li2 O13 P10 -","- C252 H410 Fe8 Li4 O26 P20 -","2","1","","Kaniewska, Kinga; Ponikiewski, Łukasz; Szynkiewicz, Natalia; Cieślik, Bartłomiej; Pikies, Jerzy; Krzystek, J.; Dragulescu-Andrasi, Alina; Stoian, Sebastian A.; Grubba, Rafał","Homoleptic mono-, di-, and tetra-iron complexes featuring phosphido ligands: a synthetic, structural, and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10091","10103","10.1039/d0dt01503b","","x-ray","0.71073","MoKα","","0.0866","0.0521","","","0.1273","0.1509","","","","","","1.028","","","","has coordinates,has disorder","254955","2020-10-21","18:00:00",""
"7704761","23.6571","0.0002","25.847","0.0004","13.2128","0.0006","90","","90","","90","","8079.2","0.4","120","2","120","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C74 H145 Fe2 Li O7 P5 -","- C66 H125 Fe2 Li0.5 O3 P5 -","- C264 H500 Fe8 Li2 O12 P20 -","4","1","","Kaniewska, Kinga; Ponikiewski, Łukasz; Szynkiewicz, Natalia; Cieślik, Bartłomiej; Pikies, Jerzy; Krzystek, J.; Dragulescu-Andrasi, Alina; Stoian, Sebastian A.; Grubba, Rafał","Homoleptic mono-, di-, and tetra-iron complexes featuring phosphido ligands: a synthetic, structural, and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10091","10103","10.1039/d0dt01503b","","x-ray","0.71073","MoKα","","0.0814","0.058","","","0.1421","0.1547","","","","","","1.053","","","","has coordinates,has disorder","254955","2020-10-21","18:00:00",""
"7704762","11.8683","0.0005","11.8704","0.0005","28.4192","0.0014","90","","90","","90","","4003.7","0.3","100","2","100.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H36 B Mn P4 -","- C12 H36 B Mn P4 -","- C96 H288 B8 Mn8 P32 -","8","1","","Price, Jeffrey S.; DeJordy, Declan M.; Emslie, David J. H.; Britten, James F.","Reactions of [(dmpe)<sub>2</sub>MnH(C<sub>2</sub>H<sub>4</sub>)]: synthesis and characterization of manganese(i) borohydride and hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9983","9994","10.1039/d0dt01726d","","","0.71073","MoKα","","0.0596","0.0557","","","0.1282","0.1299","","","","","","1.201","","","","has coordinates","254945","2020-10-21","18:00:00",""
"7704763","11.3252","0.0007","14.1954","0.0009","16.8724","0.001","90","","103.169","0.003","90","","2641.2","0.3","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H48 B Mn P4 -","- C20 H48 B Mn P4 -","- C80 H192 B4 Mn4 P16 -","4","1","","Price, Jeffrey S.; DeJordy, Declan M.; Emslie, David J. H.; Britten, James F.","Reactions of [(dmpe)<sub>2</sub>MnH(C<sub>2</sub>H<sub>4</sub>)]: synthesis and characterization of manganese(i) borohydride and hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9983","9994","10.1039/d0dt01726d","","","0.71073","MoKα","","0.049","0.0337","","","0.0713","0.0775","","","","","","1.047","","","","has coordinates","254945","2020-10-21","18:00:00",""
"7704764","13.8329","0.0009","14.965","0.001","11.0995","0.0007","90","","102.76","0.003","90","","2241","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H82 Mn2 P10 -","- C30 H82 Mn2 P10 -","- C60 H164 Mn4 P20 -","2","0.5","","Price, Jeffrey S.; DeJordy, Declan M.; Emslie, David J. H.; Britten, James F.","Reactions of [(dmpe)<sub>2</sub>MnH(C<sub>2</sub>H<sub>4</sub>)]: synthesis and characterization of manganese(i) borohydride and hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9983","9994","10.1039/d0dt01726d","","","0.71073","MoKα","","0.0418","0.0278","","","0.0612","0.0672","","","","","","1.034","","","","has coordinates","254945","2020-10-21","18:00:00",""
"7704765","15.392","0.002","10.4309","0.0014","28.529","0.004","90","","98.652","0.002","90","","4528.3","1.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H82 Mn2 P10 -","- C30 H80.8428 Mn2 P10 -","- C120 H323.371 Mn8 P40 -","4","1","","Price, Jeffrey S.; DeJordy, Declan M.; Emslie, David J. H.; Britten, James F.","Reactions of [(dmpe)<sub>2</sub>MnH(C<sub>2</sub>H<sub>4</sub>)]: synthesis and characterization of manganese(i) borohydride and hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9983","9994","10.1039/d0dt01726d","","","0.71073","MoKα","","0.1648","0.1092","","","0.2817","0.3234","","","","","","1.019","","","","has coordinates,has disorder","254945","2020-10-21","18:00:00",""
"7704766","9.2251","0.001","9.4251","0.001","15.1932","0.0016","91.032","0.003","106.889","0.003","113.056","0.003","1150","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H42 Mn P5 -","- C15 H42 Mn P5 -","- C30 H84 Mn2 P10 -","2","1","","Price, Jeffrey S.; DeJordy, Declan M.; Emslie, David J. H.; Britten, James F.","Reactions of [(dmpe)<sub>2</sub>MnH(C<sub>2</sub>H<sub>4</sub>)]: synthesis and characterization of manganese(i) borohydride and hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9983","9994","10.1039/d0dt01726d","","","0.71073","MoKα","","0.1237","0.0674","","","0.1023","0.1159","","","","","","1.034","","","","has coordinates","254945","2020-10-21","18:00:00",""
"7704767","20.562","0.004","9.4569","0.0018","28.035","0.005","90","","90.843","0.004","90","","5450.9","1.8","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H49 Mn P6 -","- C18 H48.75 Mn P6 -","- C144 H390 Mn8 P48 -","8","4","","Price, Jeffrey S.; DeJordy, Declan M.; Emslie, David J. H.; Britten, James F.","Reactions of [(dmpe)<sub>2</sub>MnH(C<sub>2</sub>H<sub>4</sub>)]: synthesis and characterization of manganese(i) borohydride and hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9983","9994","10.1039/d0dt01726d","","","0.71073","MoKα","","0.2458","0.0888","","","0.0771","0.1006","","","","","","0.644","","","","has coordinates","254945","2020-10-21","18:00:00",""
"7704768","10.068","0.003","12.286","0.003","13.967","0.003","90.611","0.004","101.87","0.005","104.056","0.005","1636.7","0.7","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H56 B Mn P4 -","- C30 H56 B Mn P4 -","- C60 H112 B2 Mn2 P8 -","2","1","","Price, Jeffrey S.; DeJordy, Declan M.; Emslie, David J. H.; Britten, James F.","Reactions of [(dmpe)<sub>2</sub>MnH(C<sub>2</sub>H<sub>4</sub>)]: synthesis and characterization of manganese(i) borohydride and hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9983","9994","10.1039/d0dt01726d","","","0.71073","MoKα","","0.0798","0.0468","","","0.0885","0.0995","","","","","","1.045","","","","has coordinates","254945","2020-10-21","18:00:00",""
"7704769","8.3124","0.0011","14.5576","0.0019","17.939","0.002","90","","90","","90","","2170.8","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N4 O4 Zn -","- C24 H22 N4 O4 Zn -","- C96 H88 N16 O16 Zn4 -","4","1","","Zhang, Mei-Li; Bai, Ye; Yang, Xiao-Gang; Zheng, Yan-Jin; Ren, Yi-Xia; Wang, Ji-Jiang; Han, Min-Le; Li, Fei-Fei; Ma, Lu-Fang","Dense π-stacking of flexible ligands fixed in interpenetrating Zn(ii) MOF exhibiting long-lasting phosphorescence and efficient carrier transport.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9961","9964","10.1039/d0dt01810d","","","0.71073","MoKα","","0.0323","0.0265","","","0.058","0.067","","","","","","1.045","","","","has coordinates","254949","2020-10-21","18:00:00",""
"7704770","11.5824","0.0002","11.7282","0.0002","14.5135","0.0003","106.396","0.001","91.055","0.001","95.029","0.001","1882.15","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H68 I14 N8 Na2 O8 W6 -","- C48 H68 I14 N8 Na2 O8 W6 -","- C48 H68 I14 N8 Na2 O8 W6 -","1","0.5","","Hummel, Thorsten; Leis, Wolfgang; Eckhardt, Aaron; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Energy transfer in supramolecular [Crypt-RE]-[W<sub>6</sub>I<sub>14</sub>] solids.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9795","9803","10.1039/d0dt01705a","","","0.71073","MoKα","","0.0176","0.015","","","0.0316","0.0323","","","","","","1.045","","","","has coordinates,has disorder","254960","2020-10-21","18:00:00",""
"7704771","14.6277","0.0003","14.6277","0.0003","14.6277","0.0003","90","","90","","90","","3129.88","0.11","298","","298","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","","","- Ba0.85 I14 W6 -","- Ba1.7 I28 W12 -","- Ba3.4 I56 W24 -","2","0.0833333","","Hummel, Thorsten; Leis, Wolfgang; Eckhardt, Aaron; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Energy transfer in supramolecular [Crypt-RE]-[W<sub>6</sub>I<sub>14</sub>] solids.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9795","9803","10.1039/d0dt01705a","powder diffraction","","1.5406","CuKalpha1","","","","","","","","","2.6793","1.3414","","","","","","","has coordinates","254960","2020-10-21","18:00:00",""
"7704772","10.8631","0.0013","13.7767","0.0016","13.8788","0.0015","74.868","0.005","85.696","0.005","79.503","0.005","1970.7","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H78 I14 N4 O13 Rb2 S W6 -","- C38 H78 I14 N4 O13 Rb2 S W6 -","- C38 H78 I14 N4 O13 Rb2 S W6 -","1","0.5","","Hummel, Thorsten; Leis, Wolfgang; Eckhardt, Aaron; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Energy transfer in supramolecular [Crypt-RE]-[W<sub>6</sub>I<sub>14</sub>] solids.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9795","9803","10.1039/d0dt01705a","","","0.71073","MoKα","","0.014","0.0123","","","0.0245","0.0249","","","","","","1.1","","","","has coordinates,has disorder","254960","2020-10-21","18:00:00",""
"7704773","14.56","0.003","24.342","0.005","30.796","0.006","90","","100.66","0.003","90","","10726","4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C106.08 H159.4 I42 N16 Nd2 O18.18 S9.56 W18 -","- C106.08 H159.396 I42 N16 Nd2 O18.18 S9.56 W18 -","- C212.16 H318.793 I84 N32 Nd4 O36.36 S19.12 W36 -","2","0.5","","Hummel, Thorsten; Leis, Wolfgang; Eckhardt, Aaron; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Energy transfer in supramolecular [Crypt-RE]-[W<sub>6</sub>I<sub>14</sub>] solids.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9795","9803","10.1039/d0dt01705a","","","0.71073","MoKα","","0.0899","0.0562","","","0.128","0.1521","","","","","","1.134","","","","has coordinates,has disorder","254960","2020-10-21","18:00:00",""
"7704774","16.2061","0.0006","16.5636","0.0006","17.6306","0.0006","72.864","0.002","66.933","0.002","68.017","0.001","3976.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H84 I14 K2 N4 O14 W6 -","- C42 H84 I14 K2 N4 O14 W6 -","- C84 H168 I28 K4 N8 O28 W12 -","2","1","","Hummel, Thorsten; Leis, Wolfgang; Eckhardt, Aaron; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Energy transfer in supramolecular [Crypt-RE]-[W<sub>6</sub>I<sub>14</sub>] solids.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9795","9803","10.1039/d0dt01705a","","","0.71073","MoKα","","0.0367","0.0219","","","0.0393","0.043","","","","","","1.01","","","","has coordinates","254960","2020-10-21","18:00:00",""
"7704775","14.8492","0.0004","15.1634","0.0005","22.202","0.0008","72.954","0.003","87.373","0.003","59.816","0.002","4100.2","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38.45 H78.08 Cs2 I14 N4 O13.4 W6 -","- C38.46 H78.09 Cs2 I14 N4 O13.4 W6 -","- C76.92 H156.18 Cs4 I28 N8 O26.8 W12 -","2","1","","Hummel, Thorsten; Leis, Wolfgang; Eckhardt, Aaron; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Energy transfer in supramolecular [Crypt-RE]-[W<sub>6</sub>I<sub>14</sub>] solids.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9795","9803","10.1039/d0dt01705a","","","0.71073","MoKα","","0.0769","0.0477","","","0.1052","0.1204","","","","","","1.047","","","","has coordinates","254960","2020-10-21","18:00:00",""
"7704776","14.576","0.006","24.514","0.011","30.756","0.013","90","","101.658","0.005","90","","10763","8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C108.2 H160.36 I42 Lu2 N16 O16.42 S9.42 W18 -","- C108.2 H160.36 I42 Lu2 N16 O16.42 S9.42 W18 -","- C216.4 H320.72 I84 Lu4 N32 O32.84 S18.84 W36 -","2","0.5","","Hummel, Thorsten; Leis, Wolfgang; Eckhardt, Aaron; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Energy transfer in supramolecular [Crypt-RE]-[W<sub>6</sub>I<sub>14</sub>] solids.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9795","9803","10.1039/d0dt01705a","","","0.71073","MoKα","","0.0934","0.0639","","","0.1468","0.1722","","","","","","1.132","","","","has coordinates,has disorder","254960","2020-10-21","18:00:00",""
"7704777","21.85714","0.0002","9.81404","0.00012","30.3186","0.0003","90","","94.3482","0.0009","90","","6484.83","0.12","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 F4 O3 P2 Ru S -","- C36 H34 F4 O3 P2 Ru S -","- C288 H272 F32 O24 P16 Ru8 S8 -","8","2","","Mueller, Benjamin R. J.; Schley, Nathan D.","Product inhibition in nucleophilic aromatic substitution through DPPPent-supported π-arene catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10114","10119","10.1039/d0dt00786b","","x-ray","1.54184","CuKα","","0.0585","0.0437","","","0.1064","0.1149","","","","","","1.021","","","","has coordinates,has disorder","254953","2020-10-21","18:00:00",""
"7704778","16.19031","0.00012","19.05235","0.00016","29.7018","0.0003","90","","90","","90","","9161.92","0.14","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C51 H55 F3 O4 P2 Ru S -","- C51 H55 F3 O4 P2 Ru S -","- C408 H440 F24 O32 P16 Ru8 S8 -","8","1","","Mueller, Benjamin R. J.; Schley, Nathan D.","Product inhibition in nucleophilic aromatic substitution through DPPPent-supported π-arene catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10114","10119","10.1039/d0dt00786b","","x-ray","1.54184","CuKα","","0.0436","0.0388","","","0.094","0.0972","","","","","","1.023","","","","has coordinates","254953","2020-10-21","18:00:00",""
"7704779","10.27473","0.00016","15.7066","0.0002","25.7096","0.0004","90","","92.2812","0.0014","90","","4145.75","0.11","100","0.1","100","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 Cl2 F3 N O4 P2 Ru S -","- C41 H42 Cl2 F3 N O4 P2 Ru S -","- C164 H168 Cl8 F12 N4 O16 P8 Ru4 S4 -","4","1","","Mueller, Benjamin R. J.; Schley, Nathan D.","Product inhibition in nucleophilic aromatic substitution through DPPPent-supported π-arene catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10114","10119","10.1039/d0dt00786b","","x-ray","1.54184","CuKα","","0.0829","0.0742","","","0.1997","0.2066","","","","","","1.081","","","","has coordinates,has disorder","254953","2020-10-21","18:00:00",""
"7704780","9.87358","0.00018","16.342","0.0003","26.1572","0.0006","75.1534","0.0018","86.1993","0.0016","78.7339","0.0016","4000.47","0.14","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C42 H48 F3 N O4.5 P2 Ru S -","- C42 H48 F3 N O4.5 P2 Ru S -","- C168 H192 F12 N4 O18 P8 Ru4 S4 -","4","2","","Mueller, Benjamin R. J.; Schley, Nathan D.","Product inhibition in nucleophilic aromatic substitution through DPPPent-supported π-arene catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10114","10119","10.1039/d0dt00786b","","x-ray","1.54184","CuKα","","0.0622","0.0447","","","0.1034","0.1125","","","","","","1.016","","","","has coordinates,has disorder","254953","2020-10-21","18:00:00",""
"7704781","8.8551","0.0003","8.8551","0.0003","5.5652","0.0005","90","","90","","90","","436.38","0.04","110","","110","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0362","0.0335","","","0.0671","0.0685","","","","","","1.145","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704782","8.8895","0.0004","8.8895","0.0004","5.5731","0.0006","90","","90","","90","","440.4","0.06","300","","300","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0379","0.0338","","","0.0702","0.0725","","","","","","1.113","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704783","8.8599","0.0004","8.8599","0.0004","5.5653","0.0006","90","","90","","90","","436.86","0.05","130","","130","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0358","0.0318","","","0.0651","0.0671","","","","","","1.168","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704784","8.8761","0.0004","8.8761","0.0004","5.5632","0.0006","90","","90","","90","","438.3","0.05","190","","190","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0313","0.0283","","","0.0589","0.0605","","","","","","1.147","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704785","8.8669","0.0004","8.8669","0.0004","5.565","0.0006","90","","90","","90","","437.53","0.05","160","","160","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0349","0.0316","","","0.0653","0.0672","","","","","","1.159","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704786","8.8776","0.0004","8.8776","0.0004","5.561","0.0006","90","","90","","90","","438.27","0.05","200","","200","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.033","0.0288","","","0.0604","0.0628","","","","","","1.143","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704787","8.8572","0.0003","8.8572","0.0003","5.5653","0.0005","90","","90","","90","","436.6","0.04","120","","120","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0367","0.0335","","","0.068","0.0692","","","","","","1.182","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704788","8.862","0.0004","8.862","0.0004","5.5652","0.0006","90","","90","","90","","437.06","0.05","140","","140","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0353","0.0311","","","0.0635","0.0657","","","","","","1.165","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704789","8.8891","0.0003","8.8891","0.0003","5.5691","0.0005","90","","90","","90","","440.05","0.04","270","2","270","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0358","0.0325","","","0.068","0.0697","","","","","","1.104","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704790","8.8868","0.0003","8.8868","0.0003","5.5606","0.0005","90","","90","","90","","439.15","0.04","220","","220","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0289","0.0269","","","0.0547","0.0558","","","","","","1.11","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704791","8.87","0.0004","8.87","0.0004","5.5649","0.0006","90","","90","","90","","437.83","0.05","170","","170","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0351","0.0316","","","0.0652","0.0673","","","","","","1.168","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704792","8.8884","0.0003","8.8884","0.0003","5.5625","0.0005","90","","90","","90","","439.46","0.04","240","","240","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0302","0.0279","","","0.0576","0.0588","","","","","","1.13","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704793","17.7545","0.0017","9.4067","0.0009","19.5299","0.0018","90","","109.827","0.001","90","","3068.4","0.5","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Co N P2 Si -","- C32 H39 Co N P2 Si -","- C128 H156 Co4 N4 P8 Si4 -","4","1","","Li, Ge; Zhao, Xiaoxi; Han, Qingxin; Wang, Li; Liu, Weisheng","Radii-dependent self-assembly of chiral lanthanide complexes: synthesis, chirality, and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10120","10126","10.1039/d0dt01711f","","","0.71073","MoKα","","0.0516","0.0343","","","0.0717","0.0766","","","","","","1.234","","","","has coordinates","254944","2020-10-21","18:00:00",""
"7704794","28.2054","0.0004","28.2054","0.0004","18.1449","0.0003","90","","90","","90","","14435.1","0.4","120","","120","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C112 H126 Dy5 N19 O36 -","- C112 H126 Dy5 N19 O36 -","- C448 H504 Dy20 N76 O144 -","4","0.5","","Li, Ge; Zhao, Xiaoxi; Han, Qingxin; Wang, Li; Liu, Weisheng","Radii-dependent self-assembly of chiral lanthanide complexes: synthesis, chirality, and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10120","10126","10.1039/d0dt01711f","","x-ray","1.54184","CuKα","","0.0888","0.0587","","","0.1466","0.1661","","","","","","0.969","","","","has coordinates,has disorder","254944","2020-10-21","18:00:00",""
"7704795","14.6403","0.0011","26.197","0.002","29.383","0.002","90","","90","","90","","11269.3","1.4","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C104 H114 La3 N17 O34 -","- C104 H114 La3 N17 O34 -","- C416 H456 La12 N68 O136 -","4","1","","Li, Ge; Zhao, Xiaoxi; Han, Qingxin; Wang, Li; Liu, Weisheng","Radii-dependent self-assembly of chiral lanthanide complexes: synthesis, chirality, and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10120","10126","10.1039/d0dt01711f","","","0.71073","MoKα","","0.0369","0.0327","","","0.0812","0.0833","","","","","","1.062","","","","has coordinates","254944","2020-10-21","18:00:00",""
"7704796","14.6618","0.0001","26.2233","0.0001","29.3764","0.0001","90","","90","","90","","11294.7","0.1","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C104 H116 La3 N17 O34 -","- C104 H116 La3 N17 O34 -","- C416 H464 La12 N68 O136 -","4","1","","Li, Ge; Zhao, Xiaoxi; Han, Qingxin; Wang, Li; Liu, Weisheng","Radii-dependent self-assembly of chiral lanthanide complexes: synthesis, chirality, and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10120","10126","10.1039/d0dt01711f","","x-ray","1.54184","CuKα","","0.0398","0.0387","","","0.1022","0.1028","","","","","","1.022","","","","has coordinates,has disorder","254944","2020-10-21","18:00:00",""
"7704797","11.3501","0.0002","13.8331","0.0003","15.6821","0.0004","101.89","0.001","99.446","0.001","95.623","0.001","2354.45","0.09","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C43 H48 B Cl2 F4 N4 O P Ru -","- C43 H48 B Cl2 F4 N4 O P Ru -","- C86 H96 B2 Cl4 F8 N8 O2 P2 Ru2 -","2","1","","Sánchez, Práxedes; Hernández-Juárez, Martín; Rendón, Nuria; López-Serrano, Joaquín; Santos, Laura L.; Álvarez, Eleuterio; Paneque, Margarita; Suárez, Andrés","Hydrogenation/dehydrogenation of N-heterocycles catalyzed by ruthenium complexes based on multimodal proton-responsive CNN(H) pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9583","9587","10.1039/d0dt02326d","","","0.71073","MoKα","","0.0338","0.0323","","","0.1319","0.1358","","","","","","1.089","","","","has coordinates,has disorder","254966","2020-10-21","18:00:00",""
"7704798","11.4403","0.0002","14.1416","0.0002","15.3495","0.0002","70.02","0.001","80.322","0.001","89.715","0.001","2296.93","0.06","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H52 B F4 N4 O3 P Ru -","- C47 H52 B F4 N4 O3 P Ru -","- C94 H104 B2 F8 N8 O6 P2 Ru2 -","2","1","","Sánchez, Práxedes; Hernández-Juárez, Martín; Rendón, Nuria; López-Serrano, Joaquín; Santos, Laura L.; Álvarez, Eleuterio; Paneque, Margarita; Suárez, Andrés","Hydrogenation/dehydrogenation of N-heterocycles catalyzed by ruthenium complexes based on multimodal proton-responsive CNN(H) pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9583","9587","10.1039/d0dt02326d","","","0.71073","MoKα","","0.0377","0.0357","","","0.0943","0.0958","","","","","","1.054","","","","has coordinates,has disorder","254966","2020-10-21","18:00:00",""
"7704799","17.6969","0.0006","15.0291","0.0005","22.5627","0.0007","90","","112.191","0.002","90","","5556.5","0.3","173","2","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H65 Cl Dy2 F3 N11 O15 -","- C49 H65 Cl Dy2 F3 N11 O15 -","- C196 H260 Cl4 Dy8 F12 N44 O60 -","4","1","","Jin, Chaoyi; Li, Xiao-Lei; Liu, Zhiliang; Mansikkamäki, Akseli; Tang, Jinkui","An investigation into the magnetic interactions in a series of Dy<sub>2</sub> single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10477","10485","10.1039/d0dt01926g","","x-ray","1.54178","CuKα","","0.0544","0.0442","","","0.1089","0.1176","","","","","","1.029","","","","has coordinates","257533","2020-10-21","18:00:00",""
"7704800","10.7089","0.0004","28.6894","0.0012","15.6149","0.0006","90","","105.994","0.002","90","","4611.7","0.3","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H56 Cl2 Dy2 N8 O13 -","- C41 H56 Cl2 Dy2 N8 O13 -","- C164 H224 Cl8 Dy8 N32 O52 -","4","1","","Jin, Chaoyi; Li, Xiao-Lei; Liu, Zhiliang; Mansikkamäki, Akseli; Tang, Jinkui","An investigation into the magnetic interactions in a series of Dy<sub>2</sub> single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10477","10485","10.1039/d0dt01926g","","x-ray","1.54178","CuKα","","0.0454","0.0359","","","0.0895","0.0948","","","","","","1.048","","","","has coordinates","257533","2020-10-21","18:00:00",""
"7704801","14.5797","0.0006","21.9434","0.0009","15.8475","0.0007","90","","116.407","0.002","90","","4541","0.3","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H51 Dy2 N9 O12 S -","- C41 H51 Dy2 N9 O12 S -","- C164 H204 Dy8 N36 O48 S4 -","4","1","","Jin, Chaoyi; Li, Xiao-Lei; Liu, Zhiliang; Mansikkamäki, Akseli; Tang, Jinkui","An investigation into the magnetic interactions in a series of Dy<sub>2</sub> single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10477","10485","10.1039/d0dt01926g","","x-ray","1.54178","CuKα","","0.0424","0.0331","","","0.0784","0.0835","","","","","","1.035","","","","has coordinates","257533","2020-10-21","18:00:00",""
"7704802","59.816","0.008","18.706","0.002","30.329","0.004","90","","104.498","0.003","90","","32855","7","100","5","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C322 H412 Mn14 N14 O48 -","- C322 H412 Mn14 N14 O48 -","- C1288 H1648 Mn56 N56 O192 -","4","0.5","","Coletta, Marco; Sanz, Sergio; Brechin, Euan K.; Dalgarno, Scott J.","With complements of the ligands: an unusual S-shaped [Mn<sub>7</sub>]<sub>2</sub> assembly from tethered calixarenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9882","9887","10.1039/d0dt01766c","","","0.71073","MoKα","","0.1661","0.0919","","","0.2566","0.3161","","","","","","1.047","","","","has coordinates,has disorder","254959","2020-10-21","18:00:00",""
"7704803","17.6173","0.0006","12.7245","0.0006","12.3363","0.0004","90","","90","","90","","2765.44","0.18","134","3","134","3","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22.5 H27 Co2 O12 S2.5 -","- C22.5 H27 Co2 O12 S2.5 -","- C90 H108 Co8 O48 S10 -","4","1","","Wang, Lin; Zhang, Jian-Wei; Li, Chenchen; Sun, Jia-Lu; Wang, Guo-Ming; Chen, Yu-Zhen","Novel CoNi-metal-organic framework crystal-derived CoNi@C: synthesis and effective cascade catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10567","10573","10.1039/d0dt01558j","","","1.54184","CuKα","","0.0548","0.044","","","0.1067","0.1196","","","","","","1.069","","","","has coordinates,has disorder","257525","2020-10-21","18:00:00",""
"7704804","27.5755","0.0003","9.9492","0.0001","15.427","0.0001","90","","119.48","0.001","90","","3684.47","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H33 N7 O9 Zn2 -","- C33 H33 N7 O9 Zn2 -","- C132 H132 N28 O36 Zn8 -","4","0.5","","Arici, Mürsel; Alp Arici, Tuğba; Demiral, Hakan; Taş, Murat; Yeşilel, Okan Zafer","A porous Zn(ii)-coordination polymer based on a tetracarboxylic acid exhibiting selective CO<sub>2</sub> adsorption and iodine uptake.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10824","10831","10.1039/d0dt01875a","","","0.71073","MoKα","","0.0635","0.0423","","","0.1119","0.1192","","","","","","1.093","","","","has coordinates,has disorder","256099","2020-10-21","18:00:00",""
"7704805","27.635","0.003","9.8134","0.001","15.5781","0.0015","90","","119.807","0.004","90","","3665.8","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 I0.31 N3 O4 Zn -","- C15 H14 I0.308 N3 O4 Zn -","- C120 H112 I2.464 N24 O32 Zn8 -","8","1","","Arici, Mürsel; Alp Arici, Tuğba; Demiral, Hakan; Taş, Murat; Yeşilel, Okan Zafer","A porous Zn(ii)-coordination polymer based on a tetracarboxylic acid exhibiting selective CO<sub>2</sub> adsorption and iodine uptake.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10824","10831","10.1039/d0dt01875a","","","0.71073","MoKα","","0.1141","0.0981","","","0.2334","0.2411","","","","","","1.282","","","","has coordinates,has disorder","256099","2020-10-21","18:00:00",""
"7704806","27.492","0.002","9.798","0.0008","15.5864","0.0011","90","","119.541","0.002","90","","3652.7","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 N6 O9 Zn2 -","- C30 H24 N6 O9 Zn2 -","- C120 H96 N24 O36 Zn8 -","4","0.5","","Arici, Mürsel; Alp Arici, Tuğba; Demiral, Hakan; Taş, Murat; Yeşilel, Okan Zafer","A porous Zn(ii)-coordination polymer based on a tetracarboxylic acid exhibiting selective CO<sub>2</sub> adsorption and iodine uptake.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10824","10831","10.1039/d0dt01875a","","","0.71073","MoKα","","0.0552","0.0489","","","0.1117","0.1148","","","","","","1.171","","","","has coordinates,has disorder","256099","2020-10-21","18:00:00",""
"7704807","20.8459","0.001","9.8908","0.0005","13.3379","0.0007","90","","95.843","0.003","90","","2735.8","0.2","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 Fe N2 O2 S -","- C13 H16 Fe N2 O2 S -","- C104 H128 Fe8 N16 O16 S8 -","8","1","","Huentupil, Yosselin; Chung, Patricio; Novoa, Néstor; Arancibia, Rodrigo; Roussel, Pascal; Oyarzo, Juan; Klahn, A. Hugo; Silva, Carlos; Calvis, Carme; Messeguer, Ramon; Bosque, Ramón; López, Concepción","Novel multifunctional and multitarget homo- (Fe<sub>2</sub>) and heterobimetallic [(Fe,M) with M = Re or Mn] sulfonyl hydrazones.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12249","12265","10.1039/d0dt01756f","","x-ray","0.71073","MoKα","","0.0486","0.0406","","","0.1059","0.1117","","","","","","1.08","","","","has coordinates","257550","2020-10-21","18:00:00",""
"7704808","12.6127","0.0008","7.7038","0.0005","22.0053","0.0015","90","","99.323","0.002","90","","2109.9","0.2","298","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Fe N2 O5 Re S -","- C19 H15 Fe N2 O5 Re S -","- C76 H60 Fe4 N8 O20 Re4 S4 -","4","1","","Huentupil, Yosselin; Chung, Patricio; Novoa, Néstor; Arancibia, Rodrigo; Roussel, Pascal; Oyarzo, Juan; Klahn, A. Hugo; Silva, Carlos; Calvis, Carme; Messeguer, Ramon; Bosque, Ramón; López, Concepción","Novel multifunctional and multitarget homo- (Fe<sub>2</sub>) and heterobimetallic [(Fe,M) with M = Re or Mn] sulfonyl hydrazones.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12249","12265","10.1039/d0dt01756f","","x-ray","0.71073","MoKα","","0.0301","0.025","","","0.0544","0.0562","","","","","","1.071","","","","has coordinates","257550","2020-10-21","18:00:00",""
"7704809","7.1339","0.0003","15.3593","0.0006","18.4395","0.0007","80.848","0.0019","84.4154","0.0017","81.2946","0.0017","1966.19","0.14","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C19 H15 Fe Mn N2 O5 S -","- C19 H15 Fe Mn N2 O5 S -","- C76 H60 Fe4 Mn4 N8 O20 S4 -","4","2","","Huentupil, Yosselin; Chung, Patricio; Novoa, Néstor; Arancibia, Rodrigo; Roussel, Pascal; Oyarzo, Juan; Klahn, A. Hugo; Silva, Carlos; Calvis, Carme; Messeguer, Ramon; Bosque, Ramón; López, Concepción","Novel multifunctional and multitarget homo- (Fe<sub>2</sub>) and heterobimetallic [(Fe,M) with M = Re or Mn] sulfonyl hydrazones.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12249","12265","10.1039/d0dt01756f","","x-ray","0.71073","MoKα","","0.0426","0.0327","","","0.0832","0.0898","","","","","","1.027","","","","has coordinates","257550","2020-10-21","18:00:00",""
"7704810","8.935","0.005","13.293","0.007","17.094","0.008","68.521","0.016","89.266","0.008","80.532","0.007","1861.1","1.7","100","2","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H47.36 Ag2 N10 O7.68 -","- C34 H47.366 Ag2 N10 O7.683 -","- C68 H94.732 Ag4 N20 O15.366 -","2","1","","Savić, Nada D; Petković, Branka B; Vojnovic, Sandra; Mojicevic, Marija; Wadepohl, Hubert; Olaifa, Kayode; Marsili, Enrico; Nikodinovic-Runic, Jasmina; Djuran, Miloš I; Glišić, Biljana Đ","Dinuclear silver(i) complexes with a pyridine-based macrocyclic type of ligand as antimicrobial agents against clinically relevant species: the influence of the counteranion on the structure diversification of the complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10880","10894","10.1039/d0dt01272f","","x-ray","0.71073","MoKα","K-L~2,3~","0.0556","0.0352","","","0.0767","0.0856","","","","","","1.03","","","","has coordinates,has disorder","256090","2020-10-21","18:00:00",""
"7704811","9.711","0.005","14.665","0.007","14.596","0.007","90","","95.032","0.01","90","","2070.6","1.8","100","2","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Ag2 F6 N8 O6 S2 -","- C36 H44 Ag2 F6 N8 O6 S2 -","- C72 H88 Ag4 F12 N16 O12 S4 -","2","0.5","","Savić, Nada D; Petković, Branka B; Vojnovic, Sandra; Mojicevic, Marija; Wadepohl, Hubert; Olaifa, Kayode; Marsili, Enrico; Nikodinovic-Runic, Jasmina; Djuran, Miloš I; Glišić, Biljana Đ","Dinuclear silver(i) complexes with a pyridine-based macrocyclic type of ligand as antimicrobial agents against clinically relevant species: the influence of the counteranion on the structure diversification of the complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10880","10894","10.1039/d0dt01272f","","x-ray","0.71073","MoKα","K-L~2,3~","0.0296","0.0239","","","0.062","0.0645","","","","","","1.064","","","","has coordinates","256090","2020-10-21","18:00:00",""
"7704812","12.418","0.007","15.957","0.008","19.137","0.009","91.45","0.013","104.008","0.012","93.344","0.01","3670","3","100","2","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H44 Ag2 B2 F8 N8 -","- C34 H44 Ag2 B2 F8 N8 -","- C136 H176 Ag8 B8 F32 N32 -","4","2","","Savić, Nada D; Petković, Branka B; Vojnovic, Sandra; Mojicevic, Marija; Wadepohl, Hubert; Olaifa, Kayode; Marsili, Enrico; Nikodinovic-Runic, Jasmina; Djuran, Miloš I; Glišić, Biljana Đ","Dinuclear silver(i) complexes with a pyridine-based macrocyclic type of ligand as antimicrobial agents against clinically relevant species: the influence of the counteranion on the structure diversification of the complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10880","10894","10.1039/d0dt01272f","","x-ray","0.71073","MoKα","","0.0635","0.0374","","","0.073","0.0828","","","","","","1.03","","","","has coordinates,has disorder","256090","2020-10-21","18:00:00",""
"7704813","11.2819","0.0009","12.0964","0.0011","14.1844","0.0012","114.237","0.003","92.361","0.001","106.855","0.002","1660.6","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H27 Br Cl Cu2 N5 O8 -","- C28 H27 Br Cl Cu2 N5 O8 -","- C56 H54 Br2 Cl2 Cu4 N10 O16 -","2","1","","Cao, Shuhua; Li, Xuezhao; Gao, Yong; Li, Fahui; Li, Kaoxue; Cao, Xuanxuan; Dai, Yiwen; Mao, Lirong; Wang, Shanshan; Tai, Xishi","A simultaneously GSH-depleted bimetallic Cu(ii) complex for enhanced chemodynamic cancer therapy.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11851","11858","10.1039/d0dt01742f","","","0.71073","MoKα","","0.183","0.1365","","","0.3203","0.3476","","","","","","1.168","","","","has coordinates,has disorder","256112","2020-10-21","18:00:00",""
"7704814","17.049","0.011","16.731","0.011","19.517","0.012","90","","92.238","0.008","90","","5563","6","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Ru24-CN-OBz4BF4","","- C44 H44 B F4 N4 O14 Ru2 -","- C44 H44 B F4 N4 O14 Ru2 -","- C176 H176 B4 F16 N16 O56 Ru8 -","4","1","","Gao, Wen-Yang; Van Trieste Iii, Gerard Pierre; Powers, David C.","Synthesis of atomically precise single-crystalline Ru<sub>2</sub>-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16077","16081","10.1039/d0dt02233k","","","0.71073","MoKα","","0.1344","0.0693","","","0.1938","0.252","","","","","","0.986","","","","has coordinates","260792","2021-01-07","06:31:50",""
"7704815","12.455","0.005","19.023","0.008","16.766","0.007","90","","97.049","0.005","90","","3942","3","110","2","110.15","","","","","","","","","6","P 1 2/m 1","-P 2y","10","Ag_2a","","","- C32 H16 Ag N4 O10 Ru2 -","- C32 H16 Ag N4 O10 Ru2 -","- C64 H32 Ag2 N8 O20 Ru4 -","2","0.5","","Gao, Wen-Yang; Van Trieste Iii, Gerard Pierre; Powers, David C.","Synthesis of atomically precise single-crystalline Ru<sub>2</sub>-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16077","16081","10.1039/d0dt02233k","","","0.71073","MoKα","","0.1856","0.1409","","","0.406","0.4866","","","","","","1.793","","","","has coordinates","260792","2021-01-07","06:31:54",""
"7704816","9.906","0.009","10.758","0.01","13.971","0.013","88.365","0.013","80.634","0.012","86.788","0.013","1466","2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","Ag_2b","","","- C19 H14 Ag N2 O5 Ru -","- C19 H14 Ag N2 O5 Ru -","- C38 H28 Ag2 N4 O10 Ru2 -","2","1","","Gao, Wen-Yang; Van Trieste Iii, Gerard Pierre; Powers, David C.","Synthesis of atomically precise single-crystalline Ru<sub>2</sub>-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16077","16081","10.1039/d0dt02233k","","","0.71073","MoKα","","0.1149","0.0688","","","0.2073","0.2269","","","","","","1.083","","","","has coordinates","260792","2021-01-07","06:32:06",""
"7704817","11.1459","0.0016","23.537","0.004","11.6244","0.0016","90","","94.558","0.004","90","","3039.9","0.8","110","2","110","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Ag_2e","","","- C38 H18 Ag2 F6 N12 O12 Ru2 S2 -","- C38 H18 Ag2 F6 N12 O12 Ru2 S2 -","- C76 H36 Ag4 F12 N24 O24 Ru4 S4 -","2","0.5","","Gao, Wen-Yang; Van Trieste Iii, Gerard Pierre; Powers, David C.","Synthesis of atomically precise single-crystalline Ru<sub>2</sub>-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16077","16081","10.1039/d0dt02233k","","","0.71073","MoKα","","0.096","0.0715","","","0.1633","0.1755","","","","","","1.052","","","","has coordinates","260792","2021-01-07","06:32:20",""
"7704818","27.328","0.01","26.528","0.009","19.548","0.007","90","","119.316","0.005","90","","12357","8","110","2","110.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Ag_2d","","","- C26.08 H16 Ag2 F6.25 N12 O8.25 Ru2 S2.08 -","- C26.0833 H16 Ag2 F6.2499 N12 O8.2499 Ru2 S2.0833 -","- C208.666 H128 Ag16 F49.9992 N96 O65.9992 Ru16 S16.6664 -","8","1","","Gao, Wen-Yang; Van Trieste Iii, Gerard Pierre; Powers, David C.","Synthesis of atomically precise single-crystalline Ru<sub>2</sub>-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16077","16081","10.1039/d0dt02233k","","","0.71073","MoKα","","0.1731","0.1201","","","0.3341","0.3825","","","","","","1.431","","","","has coordinates","260792","2021-01-07","06:32:31",""
"7704819","18.862","0.002","26.135","0.003","20.514","0.002","90","","91.362","0.002","90","","10109.7","1.9","110","2","110.15","","","","","","","","","8","C 1 2/m 1","-C 2y","12","Ag_2c","","","- C36.67 H12 Ag2 F2 N8 O12 Ru2 S0.67 -","- C36.6666 H12 Ag2 F1.9998 N8 O11.9998 Ru2 S0.6666 -","- C220 H72 Ag12 F11.9988 N48 O71.9988 Ru12 S3.9996 -","6","0.75","","Gao, Wen-Yang; Van Trieste Iii, Gerard Pierre; Powers, David C.","Synthesis of atomically precise single-crystalline Ru<sub>2</sub>-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16077","16081","10.1039/d0dt02233k","","","0.41328","synchrotron","","0.1489","0.1208","","","0.345","0.3826","","","","","","1.509","","","","has coordinates","260792","2021-01-07","06:32:36",""
"7704820","6.458","0.002","8.338","0.003","9.273","0.003","111.512","0.009","103.895","0.011","102.032","0.01","425.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- B3 Ba2 Cd O9 Sc -","- B3 Ba2 Cd O9 Sc -","- B6 Ba4 Cd2 O18 Sc2 -","2","1","","Helling, Christoph; Wölper, Christoph; Schulz, Stephan","Synthesis of heteroleptic gallium-substituted antimony hydrides by stepwise β-H elimination.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11835","11842","10.1039/d0dt01937b","","","0.71073","MoKα","","0.0167","0.0153","","","0.0382","0.0388","","","","","","1.098","","","","has coordinates","256111","2020-10-21","18:00:00",""
"7704821","12.702","0.002","13.673","0.002","6.421","0.0011","90","","94.932","0.006","90","","1111","0.3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B8 Ba4 Cd2 O24 Y4 -","- B8 Ba4 Cd2 O24 Y4 -","- B16 Ba8 Cd4 O48 Y8 -","2","0.5","","Helling, Christoph; Wölper, Christoph; Schulz, Stephan","Synthesis of heteroleptic gallium-substituted antimony hydrides by stepwise β-H elimination.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11835","11842","10.1039/d0dt01937b","","","0.71073","MoKα","","0.0648","0.0483","","","0.1168","0.1235","","","","","","1.1","","","","has coordinates","256111","2020-10-21","18:00:00",""
"7704822","12.8053","0.0012","13.6581","0.0015","6.2287","0.0007","90","","98.634","0.004","90","","1077","0.2","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B8 Ba4 Mg2 O24 Y4 -","- B8 Ba4 Mg2 O24 Y4 -","- B16 Ba8 Mg4 O48 Y8 -","2","0.5","","Helling, Christoph; Wölper, Christoph; Schulz, Stephan","Synthesis of heteroleptic gallium-substituted antimony hydrides by stepwise β-H elimination.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11835","11842","10.1039/d0dt01937b","","","0.71073","MoKα","","0.057","0.0472","","","0.129","0.1342","","","","","","1.097","","","","has coordinates","256111","2020-10-21","18:00:00",""
"7704823","11.2508","0.0008","11.9199","0.0009","15.2277","0.0014","105.431","0.002","94.168","0.001","108.872","0.002","1834.3","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H39 Cu N8 O11 V4 -","- C24 H39 Cu N8 O11 V4 -","- C48 H78 Cu2 N16 O22 V8 -","2","1","","Huang, Xianqiang; Qi, Yuquan; Gu, Yuxiao; Gong, Shuwen; Shen, Guodong; Li, Qiang; Li, Jikun","Imidazole-directed fabrication of three polyoxovanadate-based copper frameworks as efficient catalysts for constructing C-N bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10970","10976","10.1039/d0dt02162h","","","0.71073","MoKα","","0.0878","0.0611","","","0.1762","0.1938","","","","","","1.049","","","","has coordinates","256094","2020-10-21","18:00:00",""
"7704824","21.7725","0.0007","21.9575","0.0009","14.8458","0.0006","90","","90","","90","","7097.3","0.5","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C48 H80 Cu N16 O28 V10 -","- C48 H80 Cu N16 O28 V10 -","- C192 H320 Cu4 N64 O112 V40 -","4","0.5","","Huang, Xianqiang; Qi, Yuquan; Gu, Yuxiao; Gong, Shuwen; Shen, Guodong; Li, Qiang; Li, Jikun","Imidazole-directed fabrication of three polyoxovanadate-based copper frameworks as efficient catalysts for constructing C-N bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10970","10976","10.1039/d0dt02162h","","","1.54178","CuKα","","0.089","0.065","","","0.1738","0.1946","","","","","","1.04","","","","has coordinates","256094","2020-10-21","18:00:00",""
"7704825","9.2616","0.0007","5.5433","0.0004","17.1092","0.0011","90","","93.442","0.001","90","","876.8","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Cu N4 O6 V2 -","- C12 H20 Cu N4 O6 V2 -","- C24 H40 Cu2 N8 O12 V4 -","2","0.5","","Huang, Xianqiang; Qi, Yuquan; Gu, Yuxiao; Gong, Shuwen; Shen, Guodong; Li, Qiang; Li, Jikun","Imidazole-directed fabrication of three polyoxovanadate-based copper frameworks as efficient catalysts for constructing C-N bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10970","10976","10.1039/d0dt02162h","","","1.54178","CuKα","","0.0561","0.04","","","0.1054","0.1136","","","","","","1.043","","","","has coordinates","256094","2020-10-21","18:00:00",""
"7704826","15.4863","0.0002","45.3078","0.0006","19.2032","0.0003","90","","103.069","0.002","90","","13124.9","0.3","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C132 H86 Ag2 O58 Ti10 -","- C132 H86 Ag2 O58 Ti10 -","- C528 H344 Ag8 O232 Ti40 -","4","1","","Hou, Simin; Li, Qiaohong; Ding, Qing-Rong; Kang, Yao; Zhang, Jian; Zhang, Lei","Heterometallic Ag<sub>2</sub>Ti<sub>10</sub> and Ag<sub>4</sub>Ti<sub>8</sub>-oxo clusters with different silver doping models: synthesis, structure, and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","11005","11009","10.1039/d0dt02396e","","x-ray","1.54184","CuKα","","0.1214","0.0899","","","0.2289","0.2544","","","","","","1.052","","","","has coordinates,has disorder","256086","2020-10-21","18:00:00",""
"7704827","15.5445","0.0003","27.2039","0.0006","25.2746","0.0006","90","","100.439","0.002","90","","10511","0.4","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H124 Ag4 N2 O39 Ti8 -","- C74 H132 Ag4 N2 O39 Ti8 -","- C296 H528 Ag16 N8 O156 Ti32 -","4","0.5","","Hou, Simin; Li, Qiaohong; Ding, Qing-Rong; Kang, Yao; Zhang, Jian; Zhang, Lei","Heterometallic Ag<sub>2</sub>Ti<sub>10</sub> and Ag<sub>4</sub>Ti<sub>8</sub>-oxo clusters with different silver doping models: synthesis, structure, and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","11005","11009","10.1039/d0dt02396e","","x-ray","1.54184","CuKα","","0.085","0.0617","","","0.1625","0.1823","","","","","","1.037","","","","has coordinates","256086","2020-10-21","18:00:00",""
"7704828","9.9016","0.0002","13.3519","0.0003","18.7267","0.0004","90","","90","","90","","2475.77","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 Cl Ge N3 Si -","- C22 H36 Cl Ge N3 Si -","- C88 H144 Cl4 Ge4 N12 Si4 -","4","1","","Helmer, Joschua; Hepp, Alexander; Lips, Felicitas","An unsaturated amido-substituted six-vertex germanium cluster and its reactions with alkenes and alkynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11843","11850","10.1039/d0dt01984d","","","0.71073","MoKα","","0.023","0.022","","","0.0584","0.0587","","","","","","1.041","","","","has coordinates,has disorder","256115","2020-10-21","18:00:00",""
"7704829","16.4377","0.0007","16.4377","0.0007","27.2437","0.0012","90","","90","","90","","7361.2","0.5","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H104 Ge6 N4 Si4 -","- C60 H104 Ge6 N4 Si4 -","- C240 H416 Ge24 N16 Si16 -","4","0.5","","Helmer, Joschua; Hepp, Alexander; Lips, Felicitas","An unsaturated amido-substituted six-vertex germanium cluster and its reactions with alkenes and alkynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11843","11850","10.1039/d0dt01984d","","","0.71073","MoKα","","0.0423","0.0377","","","0.0874","0.0906","","","","","","1.193","","","","has coordinates","256115","2020-10-21","18:00:00",""
"7704830","18.8048","0.0007","13.891","0.0005","21.7286","0.0008","90","","109.945","0.002","90","","5335.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H72 Ge2 N2 Si2 -","- C58 H72 Ge2 N2 Si2 -","- C232 H288 Ge8 N8 Si8 -","4","1","","Helmer, Joschua; Hepp, Alexander; Lips, Felicitas","An unsaturated amido-substituted six-vertex germanium cluster and its reactions with alkenes and alkynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11843","11850","10.1039/d0dt01984d","","","0.71073","MoKα","","0.0287","0.0256","","","0.0655","0.0671","","","","","","1.045","","","","has coordinates","256115","2020-10-21","18:00:00",""
"7704831","8.4166","0.0004","14.6198","0.0006","16.8627","0.0007","69.719","0.001","85.876","0.001","76.067","0.001","1888.88","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H60 Ge2 N2 Si2 -","- C34 H60 Ge2 N2 Si2 -","- C68 H120 Ge4 N4 Si4 -","2","1","","Helmer, Joschua; Hepp, Alexander; Lips, Felicitas","An unsaturated amido-substituted six-vertex germanium cluster and its reactions with alkenes and alkynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11843","11850","10.1039/d0dt01984d","","","0.71073","MoKα","","0.0262","0.0244","","","0.0613","0.0623","","","","","","1.048","","","","has coordinates","256115","2020-10-21","18:00:00",""
"7704832","9.1917","0.0003","10.5041","0.0004","13.6603","0.0005","100.762","0.001","90.7","0.001","106.892","0.001","1236.7","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H82 Ge2 N2 Si2 -","- C48 H82 Ge2 N2 Si2 -","- C48 H82 Ge2 N2 Si2 -","1","0.5","","Helmer, Joschua; Hepp, Alexander; Lips, Felicitas","An unsaturated amido-substituted six-vertex germanium cluster and its reactions with alkenes and alkynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11843","11850","10.1039/d0dt01984d","","","1.54178","CuKα","","0.0304","0.0301","","","0.0822","0.0824","","","","","","1.04","","","","has coordinates","256115","2020-10-21","18:00:00",""
"7704833","39.3542","0.0004","8.9707","0.0001","30.3706","0.0002","90","","109.407","0.001","90","","10112.7","0.18","100","0.11","100","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H23.5 Cd N6 O10 S -","- C34 H23.5 Cd N6 O10 S -","- C272 H188 Cd8 N48 O80 S8 -","8","2","","Szufla, Monika; Roztocki, Kornel; Krawczuk, Anna; Matoga, Dariusz","One-step introduction of terminal sulfonic groups into a proton-conducting metal-organic framework by concerted deprotonation-metalation-hydrolysis reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9953","9956","10.1039/d0dt02017f","","x-ray","0.71073","MoKα","","0.0991","0.0882","","","0.2577","0.2644","","","","","","1.085","","","","has coordinates,has disorder","254943","2020-10-21","18:00:00",""
"7704834","25.895","0.002","26.301","0.002","12.2932","0.0011","90","","91.478","0.004","90","","8369.7","1.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C68 H69 Cd4 N8 O24 -","- C68 H69 Cd4 N8 O24 -","- C272 H276 Cd16 N32 O96 -","4","1","","Liu, Meiying; Liang, Jingjing; Xu, Xuebin; Liu, Zhiliang","An unusual high-frequency ferroelectric obtained via the post-synthetic modification of a metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10895","10900","10.1039/d0dt02066d","","","0.71073","MoKα","","0.0578","0.0563","","","0.1536","0.1552","","","","","","1.051","","","","has coordinates","256101","2020-10-21","18:00:00",""
"7704835","12.5779","0.0003","15.3268","0.0004","16.0033","0.0005","90","","90","","90","","3085.1","0.15","290","2","289.68","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Cl2 Co N5 O10 -","- C27 H28 Cl2 Co N5 O10 -","- C108 H112 Cl8 Co4 N20 O40 -","4","1","","de Souza, Isabela Cristina Aguiar; Santana, Savyo de Souza; Gómez, Javier G; Guedes, Guilherme P.; Madureira, João; Quintal, Susana Maria de Ornelas; Lanznaster, Mauricio","Investigation of cobalt(III)-phenylalanine complexes for hypoxia-activated drug delivery.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16425","16439","10.1039/d0dt01389g","","","0.71073","MoKα","","0.0719","0.0565","","","0.1539","0.1641","","","","","","1.071","","","","has coordinates","260780","2021-01-07","06:29:01",""
"7704836","12.5559","0.0006","9.9926","0.0004","14.5754","0.0007","90","","113.235","0.002","90","","1680.4","0.13","298","2","298","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H29 Cl2 Co N6 O10 -","- C31 H29 Cl2 Co N6 O10 -","- C62 H58 Cl4 Co2 N12 O20 -","2","1","","de Souza, Isabela Cristina Aguiar; Santana, Savyo de Souza; Gómez, Javier G; Guedes, Guilherme P.; Madureira, João; Quintal, Susana Maria de Ornelas; Lanznaster, Mauricio","Investigation of cobalt(III)-phenylalanine complexes for hypoxia-activated drug delivery.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16425","16439","10.1039/d0dt01389g","","x-ray","0.71073","MoKα","","0.0486","0.0401","","","0.0982","0.1079","","","","","","1.085","","","","has coordinates","260780","2021-01-07","06:29:01",""
"7704837","6.532","0.0011","9.9881","0.0018","11.068","0.002","71.076","0.006","86.884","0.005","89.537","0.005","682","0.2","273","2","273.15","","","","","","","","","6","P 1","P 1","1","","","","- C23 H28 Cl2 Co N5 O10 -","- C23 H28 Cl2 Co N5 O10 -","- C23 H28 Cl2 Co N5 O10 -","1","1","","de Souza, Isabela Cristina Aguiar; Santana, Savyo de Souza; Gómez, Javier G; Guedes, Guilherme P.; Madureira, João; Quintal, Susana Maria de Ornelas; Lanznaster, Mauricio","Investigation of cobalt(III)-phenylalanine complexes for hypoxia-activated drug delivery.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16425","16439","10.1039/d0dt01389g","","","0.71073","MoKα","","0.0249","0.0247","","","0.0657","0.066","","","","","","1.044","","","","has coordinates","260780","2021-01-07","06:29:01",""
"7704838","10.4694","0.0003","12.8698","0.0005","22.5611","0.0008","90","","90","","90","","3039.86","0.18","298","2","297.92","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 Cl2 Co N5 O10 -","- C25 H32 Cl2 Co N5 O10 -","- C100 H128 Cl8 Co4 N20 O40 -","4","1","","de Souza, Isabela Cristina Aguiar; Santana, Savyo de Souza; Gómez, Javier G; Guedes, Guilherme P.; Madureira, João; Quintal, Susana Maria de Ornelas; Lanznaster, Mauricio","Investigation of cobalt(III)-phenylalanine complexes for hypoxia-activated drug delivery.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16425","16439","10.1039/d0dt01389g","","","0.71073","MoKα","","0.0685","0.0511","","","0.1333","0.1447","","","","","","1.047","","","","has coordinates","260780","2021-01-07","06:29:01",""
"7704839","14.819","0.0003","15.4014","0.0003","28.1536","0.0003","103.922","0.001","90.055","0.001","112.649","0.002","5724.3","0.2","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C102 H128 N16 Ni9 O33 -","- C102 H128 N16 Ni9 O33 -","- C204 H256 N32 Ni18 O66 -","2","1","","Tian, Xue-Fei; Ji, Bao-Qian; Feng, Lei; Sheng, Kai; Su, Yan-Min; Jagodič, Marko; Jagličić, Zvonko; Tung, Chen-Ho; Sun, Di","Self-assembly of a nonanuclear Ni<sup>II</sup> cluster via atmospheric CO<sub>2</sub> fixation: synthesis, structure, collision-induced dissociation mass spectrometry and magnetic property.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10977","10982","10.1039/d0dt01573c","","x-ray","1.54184","CuKα","","0.0691","0.052","","","0.1369","0.154","","","","","","1.058","","","","has coordinates","256096","2020-10-21","18:00:00",""
"7704840","9.7449","0.0002","13.8069","0.0004","16.946","0.0004","90","","95.441","0.002","90","","2269.76","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H27 Cl2 N Ni P2 -","- C22 H27 Cl2 N Ni P2 -","- C88 H108 Cl8 N4 Ni4 P8 -","4","1","","Fokwa, Hilary D.; Vidlak, Julia F.; Weinberg, Sophie C.; Duplessis, Isaiah D.; Schley, Nathan D.; Johnson, Miles W.","Study and modular synthesis of unsymmetrical bis(phosphino)pyrrole ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9957","9960","10.1039/d0dt02063j","","x-ray","0.71073","MoKα","","0.0278","0.0263","","","0.0556","0.0564","","","","","","1.032","","","","has coordinates","254948","2020-10-21","18:00:00",""
"7704841","17.7452","0.0006","10.5763","0.0004","29.5471","0.0011","90","","96.599","0.003","90","","5508.6","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 Cl N Ni P2 -","- C29 H34 Cl N Ni P2 -","- C232 H272 Cl8 N8 Ni8 P16 -","8","2","","Fokwa, Hilary D.; Vidlak, Julia F.; Weinberg, Sophie C.; Duplessis, Isaiah D.; Schley, Nathan D.; Johnson, Miles W.","Study and modular synthesis of unsymmetrical bis(phosphino)pyrrole ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9957","9960","10.1039/d0dt02063j","","x-ray","0.71073","MoKα","","0.1103","0.073","","","0.1142","0.1265","","","","","","1.131","","","","has coordinates","254948","2020-10-21","18:00:00",""
"7704842","8.43393","0.00015","10.5673","0.0002","17.8435","0.0004","83.8079","0.0017","86.3096","0.0016","73.1764","0.0018","1512.42","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Cl6 Ni P2 -","- C26 H32 Cl6 Ni P2 -","- C52 H64 Cl12 Ni2 P4 -","2","1","","Fokwa, Hilary D.; Vidlak, Julia F.; Weinberg, Sophie C.; Duplessis, Isaiah D.; Schley, Nathan D.; Johnson, Miles W.","Study and modular synthesis of unsymmetrical bis(phosphino)pyrrole ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9957","9960","10.1039/d0dt02063j","","x-ray","1.54184","CuKα","","0.0255","0.0249","","","0.0633","0.0637","","","","","","1.092","","","","has coordinates","254948","2020-10-21","18:00:00",""
"7704843","9.6486","0.0003","10.1503","0.0003","13.6583","0.0005","75.136","0.003","73.244","0.003","62.259","0.003","1121.76","0.07","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H54 Cl2 Cu2 N2 P4 -","- C44 H54 Cl2 Cu2 N2 P4 -","- C44 H54 Cl2 Cu2 N2 P4 -","1","0.5","","Fokwa, Hilary D.; Vidlak, Julia F.; Weinberg, Sophie C.; Duplessis, Isaiah D.; Schley, Nathan D.; Johnson, Miles W.","Study and modular synthesis of unsymmetrical bis(phosphino)pyrrole ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9957","9960","10.1039/d0dt02063j","","x-ray","1.54184","CuKα","","0.0226","0.0221","","","0.0593","0.0596","","","","","","1.075","","","","has coordinates","254948","2020-10-21","18:00:00",""
"7704844","9.9874","0.0002","16.6163","0.0003","14.1086","0.0003","90","","97.565","0.002","90","","2320.99","0.08","99.96","0.12","99.96","0.12","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Cl2 N P2 Pt -","- C22 H27 Cl2 N P2 Pt -","- C88 H108 Cl8 N4 P8 Pt4 -","4","1","","Fokwa, Hilary D.; Vidlak, Julia F.; Weinberg, Sophie C.; Duplessis, Isaiah D.; Schley, Nathan D.; Johnson, Miles W.","Study and modular synthesis of unsymmetrical bis(phosphino)pyrrole ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9957","9960","10.1039/d0dt02063j","","x-ray","0.71073","MoKα","","0.0274","0.0236","","","0.0472","0.0488","","","","","","1.07","","","","has coordinates","254948","2020-10-21","18:00:00",""
"7704845","28.03203","0.00016","9.55406","0.00006","18.39924","0.0001","90","","93.0442","0.0005","90","","4920.73","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22.5 H28 Cl3 N P2 Pd -","- C22.5 H28 Cl3 N P2 Pd -","- C180 H224 Cl24 N8 P16 Pd8 -","8","2","","Fokwa, Hilary D.; Vidlak, Julia F.; Weinberg, Sophie C.; Duplessis, Isaiah D.; Schley, Nathan D.; Johnson, Miles W.","Study and modular synthesis of unsymmetrical bis(phosphino)pyrrole ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9957","9960","10.1039/d0dt02063j","","x-ray","1.54184","CuKα","","0.0336","0.0327","","","0.0837","0.0843","","","","","","1.039","","","","has coordinates","254948","2020-10-21","18:00:00",""
"7704846","19.5786","0.0009","29.0287","0.0013","9.9053","0.0004","90","","90","","90","","5629.6","0.4","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C6 H4 N0 O10 P2 S Zn2 -","- C6 H4 O10 P2 S Zn2 -","- C48 H32 O80 P16 S8 Zn16 -","8","1","","Hsieh, Jui; Chen, Ju-Ying; Li, Han-Ying; Liu, Hsin-Kuan; Tu, Hsiung-Lin; Wang, Chih-Min","A thio-functionalized zinc phosphite with a large-channel framework and enhanced removal ability of mercury ion from aqueous solutions.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11085","11089","10.1039/d0dt02270e","","","0.71073","MoKα","","0.0702","0.0453","","","0.1237","0.1338","","","","","","1.014","","","","has coordinates","256065","2020-10-21","18:00:00",""
"7704847","9.706","0.003","16.933","0.004","24.815","0.006","90","","100.009","0.004","90","","4016.3","1.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","IrFe","","","- C37 H32 Cl7 Fe Ir N2 O P2 -","- C36.999 H31.998 Cl6.998 Fe Ir N2 O P2 -","- C147.996 H127.992 Cl27.992 Fe4 Ir4 N8 O4 P8 -","4","1","","Cherepakhin, Valeriy; Hellman, Ashley; Lan, Zhenzhuo; Mallikarjun Sharada, Shaama; Williams, Travis J.","Heterobimetallic complexes of IrM (M = Fe<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>) core and bridging 2-(diphenylphosphino)pyridine: electronic structure and electrochemical behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10509","10515","10.1039/d0dt01801e","","","0.71073","MoKα","","0.0286","0.0236","","","0.057","0.0586","","","","","","1.043","","","","has coordinates,has disorder","256084","2020-10-21","18:00:00",""
"7704848","21.731","0.007","12.688","0.004","15.533","0.005","90","","108.649","0.004","90","","4058","2","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","IrCo_1","","","- C37 H32 Cl7 Co Ir N2 O P2 -","- C37 H32 Cl7 Co Ir N2 O P2 -","- C148 H128 Cl28 Co4 Ir4 N8 O4 P8 -","4","1","","Cherepakhin, Valeriy; Hellman, Ashley; Lan, Zhenzhuo; Mallikarjun Sharada, Shaama; Williams, Travis J.","Heterobimetallic complexes of IrM (M = Fe<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>) core and bridging 2-(diphenylphosphino)pyridine: electronic structure and electrochemical behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10509","10515","10.1039/d0dt01801e","","","0.71073","MoKα","","0.0786","0.0594","","","0.1377","0.1536","","","","","","1.09","","","","has coordinates,has disorder","256084","2020-10-21","18:00:00",""
"7704849","9.717","0.004","16.846","0.006","24.683","0.009","90","","99.673","0.006","90","","3983","3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","IrNi","","","- C37 H32 Cl7 Ir N2 Ni O P2 -","- C37 H32 Cl7 Ir N2 Ni O P2 -","- C148 H128 Cl28 Ir4 N8 Ni4 O4 P8 -","4","1","","Cherepakhin, Valeriy; Hellman, Ashley; Lan, Zhenzhuo; Mallikarjun Sharada, Shaama; Williams, Travis J.","Heterobimetallic complexes of IrM (M = Fe<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>) core and bridging 2-(diphenylphosphino)pyridine: electronic structure and electrochemical behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10509","10515","10.1039/d0dt01801e","","","0.71073","MoKα","","0.05","0.0388","","","0.0851","0.0903","","","","","","1.121","","","","has coordinates,has disorder","256084","2020-10-21","18:00:00",""
"7704850","6.9491","0.0006","14.9073","0.0012","10.6201","0.0009","90","","90","","90","","1100.16","0.16","296","2","296","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- B Cs Na2 O11 P2 Y2 -","- B Cs Na2 O11 P2 Y2 -","- B4 Cs4 Na8 O44 P8 Y8 -","4","0.25","","Zhao, Dan; Xue, Yali; Zhang, Ruijuan; Fan, Yanping; Liu, Baozhong; Li, Yanan; Zhang, Shirui","Design, synthesis, crystal structure and luminescent properties introduced by Eu<sup>3+</sup> of a new type of rare-earth borophosphate CsNa<sub>2</sub>REE<sub>2</sub>(BO<sub>3</sub>)(PO<sub>4</sub>)<sub>2</sub> (REE = Y, Gd).","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10104","10113","10.1039/d0dt00389a","","","0.71073","MoKα","","0.0207","0.0197","","","0.0478","0.0481","","","","","","1.163","","","","has coordinates","254946","2020-10-21","18:00:00",""
"7704851","6.875","0.0005","14.6919","0.001","10.5581","0.0007","90","","90","","90","","1066.44","0.13","296","2","296","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- B Cs Lu2 Na2 O11 P2 -","- B Cs Lu2 Na2 O11 P2 -","- B4 Cs4 Lu8 Na8 O44 P8 -","4","0.25","","Zhao, Dan; Xue, Yali; Zhang, Ruijuan; Fan, Yanping; Liu, Baozhong; Li, Yanan; Zhang, Shirui","Design, synthesis, crystal structure and luminescent properties introduced by Eu<sup>3+</sup> of a new type of rare-earth borophosphate CsNa<sub>2</sub>REE<sub>2</sub>(BO<sub>3</sub>)(PO<sub>4</sub>)<sub>2</sub> (REE = Y, Gd).","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10104","10113","10.1039/d0dt00389a","","","0.71073","MoKα","","0.0181","0.0173","","","0.0367","0.0371","","","","","","1.178","","","","has coordinates","254946","2020-10-21","18:00:00",""
"7704852","7.0291","0.0006","15.1435","0.0013","10.6895","0.0009","90","","90","","90","","1137.85","0.17","296","2","296","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- B Cs Gd2 Na2 O11 P2 -","- B Cs Gd2 Na2 O11 P2 -","- B4 Cs4 Gd8 Na8 O44 P8 -","4","0.25","","Zhao, Dan; Xue, Yali; Zhang, Ruijuan; Fan, Yanping; Liu, Baozhong; Li, Yanan; Zhang, Shirui","Design, synthesis, crystal structure and luminescent properties introduced by Eu<sup>3+</sup> of a new type of rare-earth borophosphate CsNa<sub>2</sub>REE<sub>2</sub>(BO<sub>3</sub>)(PO<sub>4</sub>)<sub>2</sub> (REE = Y, Gd).","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10104","10113","10.1039/d0dt00389a","","","0.71073","MoKα","","0.0194","0.018","","","0.0399","0.0403","","","","","","1.119","","","","has coordinates","254946","2020-10-21","18:00:00",""
"7704853","8.5554","0.0004","11.8305","0.0005","14.1576","0.0006","75.297","0.0014","86.9868","0.0014","88.2112","0.0013","1383.88","0.11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H42 Co2 I N O S2 -","- C25 H42 Co2 I N O S2 -","- C50 H84 Co4 I2 N2 O2 S4 -","2","1","","Li, Jianzhe; Yang, Dawei; Tong, Peng; Wang, Baomin; Qu, Jingping","Facile C-N coupling of coordinated ammonia and labile carbonyl or acetonitrile promoted by a thiolate-bridged dicobalt reaction scaffold.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11260","11267","10.1039/d0dt02133d","","","0.71073","MoKα","","0.0288","0.0277","","","0.0755","0.0764","","","","","","0.924","","","","has coordinates","256063","2020-10-21","18:00:00",""
"7704854","17.179","0.0008","14.6705","0.0007","30.3404","0.0014","90","","90","","90","","7646.5","0.6","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C28 H49 Cl0 Co2 F12 N3 P2 S2 -","- C28 H49 Co2 F12 N3 P2 S2 -","- C224 H392 Co16 F96 N24 P16 S16 -","8","1","","Li, Jianzhe; Yang, Dawei; Tong, Peng; Wang, Baomin; Qu, Jingping","Facile C-N coupling of coordinated ammonia and labile carbonyl or acetonitrile promoted by a thiolate-bridged dicobalt reaction scaffold.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11260","11267","10.1039/d0dt02133d","","","0.71073","MoKα","","0.0661","0.0548","","","0.1508","0.1588","","","","","","1.025","","","","has coordinates","256063","2020-10-21","18:00:00",""
"7704855","12.1666","0.0005","15.2586","0.0006","19.7131","0.0007","90","","93.8173","0.001","90","","3651.5","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H47 Cl4 Co2 I2 N S2 -","- C26 H47 Cl4 Co2 I2 N S2 -","- C104 H188 Cl16 Co8 I8 N4 S8 -","4","1","","Li, Jianzhe; Yang, Dawei; Tong, Peng; Wang, Baomin; Qu, Jingping","Facile C-N coupling of coordinated ammonia and labile carbonyl or acetonitrile promoted by a thiolate-bridged dicobalt reaction scaffold.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11260","11267","10.1039/d0dt02133d","","","0.71073","MoKα","","0.0341","0.0305","","","0.0852","0.0878","","","","","","1.062","","","","has coordinates","256063","2020-10-21","18:00:00",""
"7704856","8.565","0.002","28.994","0.007","12.607","0.003","90","","92.037","0.005","90","","3128.8","1.3","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H45 B0 Co2 F6 N2 P S2 -","- C26 H45 Co2 F6 N2 P S2 -","- C104 H180 Co8 F24 N8 P4 S8 -","4","1","","Li, Jianzhe; Yang, Dawei; Tong, Peng; Wang, Baomin; Qu, Jingping","Facile C-N coupling of coordinated ammonia and labile carbonyl or acetonitrile promoted by a thiolate-bridged dicobalt reaction scaffold.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11260","11267","10.1039/d0dt02133d","","","0.71073","MoKα","","0.0467","0.0415","","","0.111","0.1138","","","","","","1.019","","","","has coordinates","256063","2020-10-21","18:00:00",""
"7704857","24.2727","0.0009","35.951","0.0013","7.6427","0.0003","90","","90","","90","","6669.2","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C50 H43 Mo2 N5 O16 -","- C50 H32 Mo2 N5 O16 -","- C200 H128 Mo8 N20 O64 -","4","0.5","","Xia, Zhinan; Li, Fengyan; Xu, Lin; Feng, Pingyun","A stable and highly selective metalloporphyrin based framework for the catalytic oxidation of cyclohexene.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11157","11162","10.1039/d0dt01420f","","","0.71073","MoKα","","0.0867","0.0778","","","0.1952","0.2016","","","","","","1.014","","","","has coordinates","256064","2020-10-21","18:00:00",""
"7704858","15.7095","0.0004","27.2107","0.0009","20.1686","0.0005","90","","99.605","0.002","90","","8500.5","0.4","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C38 H40 Br0.08 Dy N2.92 O16.75 Zn2 -","- C38 H40 Br0.0845 Dy N2.916 O16.748 Zn2 -","- C304 H320 Br0.676 Dy8 N23.328 O133.984 Zn16 -","8","1","","Shukla, Pragya; Ansari, Kamal Uddin; Gao, Chen; Vaidya, Shefali; Tripathi, Shalini; Kumar, Pardeep; Butcher, Ray J.; Overgaard, Jacob; Shanmugam, Maheswaran","Influence of anion induced geometry change in Zn(ii) on the magnetization relaxation dynamics of Dy(iii) in Zn-Dy-Zn complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10580","10593","10.1039/d0dt00949k","","","0.71073","MoKα","","0.0664","0.0497","","","0.1318","0.1461","","","","","","1.035","","","","has coordinates,has disorder","257520","2020-10-21","18:00:00",""
"7704859","13.0346","0.0007","13.9322","0.0009","15.7132","0.0009","75.924","0.005","67.502","0.005","78.161","0.005","2537.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H40 Cl Dy N2 O14 Zn2 -","- C38 H40 Cl Dy N2 O14 Zn2 -","- C76 H80 Cl2 Dy2 N4 O28 Zn4 -","2","1","","Shukla, Pragya; Ansari, Kamal Uddin; Gao, Chen; Vaidya, Shefali; Tripathi, Shalini; Kumar, Pardeep; Butcher, Ray J.; Overgaard, Jacob; Shanmugam, Maheswaran","Influence of anion induced geometry change in Zn(ii) on the magnetization relaxation dynamics of Dy(iii) in Zn-Dy-Zn complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10580","10593","10.1039/d0dt00949k","","","0.71073","MoKα","","0.0988","0.0628","","","0.1566","0.1772","","","","","","1.031","","","","has coordinates,has disorder","257520","2020-10-21","18:00:00",""
"7704860","15.7454","0.0004","27.4209","0.0007","20.2012","0.0005","90","","99.431","0.002","90","","8604","0.4","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C38 H40 Cl Dy N2 O18 Zn2 -","- C38 H40 Cl1.001 Dy N2 O18.004 Zn2 -","- C304 H320 Cl8.008 Dy8 N16 O144.032 Zn16 -","8","1","","Shukla, Pragya; Ansari, Kamal Uddin; Gao, Chen; Vaidya, Shefali; Tripathi, Shalini; Kumar, Pardeep; Butcher, Ray J.; Overgaard, Jacob; Shanmugam, Maheswaran","Influence of anion induced geometry change in Zn(ii) on the magnetization relaxation dynamics of Dy(iii) in Zn-Dy-Zn complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10580","10593","10.1039/d0dt00949k","","","0.71073","MoKα","","0.0537","0.0407","","","0.0977","0.1053","","","","","","1.031","","","","has coordinates,has disorder","257520","2020-10-21","18:00:00",""
"7704861","8.01763","0.00014","20.252","0.0004","28.7701","0.0005","86.2916","0.0015","87.5201","0.0015","87.6169","0.0015","4653.82","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C39.25 H43.75 Dy F6 N2 O14.75 P Zn2 -","- C39.25 H43.75 Dy F6 N2 O14.75 P Zn2 -","- C157 H175 Dy4 F24 N8 O59 P4 Zn8 -","4","2","","Shukla, Pragya; Ansari, Kamal Uddin; Gao, Chen; Vaidya, Shefali; Tripathi, Shalini; Kumar, Pardeep; Butcher, Ray J.; Overgaard, Jacob; Shanmugam, Maheswaran","Influence of anion induced geometry change in Zn(ii) on the magnetization relaxation dynamics of Dy(iii) in Zn-Dy-Zn complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10580","10593","10.1039/d0dt00949k","","","0.71073","MoKα","","0.1049","0.0617","","","0.1181","0.1397","","","","","","1.033","","","","has coordinates,has disorder","257520","2020-10-21","18:00:00",""
"7704862","12.6578","0.0013","7.9469","0.0009","24.6","0.003","90","","97.192","0.003","90","","2455.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 Cl2 Ir N4 -","- C27 H25 Cl2 Ir N4 -","- C108 H100 Cl8 Ir4 N16 -","4","1","","Melis, Diana R.; Barnett, Christopher B.; Wiesner, Lubbe; Nordlander, Ebbe; Smith, Gregory S.","Quinoline-triazole half-sandwich iridium(III) complexes: synthesis, antiplasmodial activity and preliminary transfer hydrogenation studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11543","11555","10.1039/d0dt01935f","","","0.71073","MoKα","","0.05","0.0314","","","0.0615","0.0682","","","","","","1.009","","","","has coordinates","256070","2020-10-21","18:00:00",""
"7704863","7.9369","0.0005","22.7369","0.0014","28.4099","0.0016","90","","90","","90","","5126.9","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H26 Cl3 Ir N4 -","- C27 H26 Cl3 Ir N4 -","- C216 H208 Cl24 Ir8 N32 -","8","1","","Melis, Diana R.; Barnett, Christopher B.; Wiesner, Lubbe; Nordlander, Ebbe; Smith, Gregory S.","Quinoline-triazole half-sandwich iridium(III) complexes: synthesis, antiplasmodial activity and preliminary transfer hydrogenation studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11543","11555","10.1039/d0dt01935f","","","0.71073","MoKα","","0.049","0.0266","","","0.0482","0.0546","","","","","","1.011","","","","has coordinates","256070","2020-10-21","18:00:00",""
"7704864","10.3064","0.0015","11.5974","0.0017","16.442","0.002","90","","93.429","0.003","90","","1961.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 Cu2 Mn N4 O8 -","- C42 H46 Cu2 Mn N4 O8 -","- C84 H92 Cu4 Mn2 N8 O16 -","2","0.5","","Dutta, Sabarni; Bhunia, Pradip; Mayans, Júlia; Drew, Michael G. B.; Ghosh, Ashutosh","Roles of basicity and steric crowding of anionic coligands in catechol oxidase-like activity of Cu(ii)-Mn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11268","11281","10.1039/d0dt00952k","","","0.71073","MoKα","","0.0359","0.0311","","","0.0825","0.0884","","","","","","1.106","","","","has coordinates","256053","2020-10-21","18:00:00",""
"7704865","11.0088","0.0006","11.5219","0.0007","19.5333","0.0012","94.18","0.002","94.333","0.002","117.861","0.002","2167.7","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H50.5 Cu2 Mn N6 O11.5 -","- C41 H50.5 Cu2 Mn N6 O11.5 -","- C82 H101 Cu4 Mn2 N12 O23 -","2","1","","Dutta, Sabarni; Bhunia, Pradip; Mayans, Júlia; Drew, Michael G. B.; Ghosh, Ashutosh","Roles of basicity and steric crowding of anionic coligands in catechol oxidase-like activity of Cu(ii)-Mn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11268","11281","10.1039/d0dt00952k","","","0.71073","MoKα","","0.0815","0.0649","","","0.1736","0.1835","","","","","","1.121","","","","has coordinates","256053","2020-10-21","18:00:00",""
"7704866","20.3123","0.0006","14.2566","0.0004","16.4904","0.0005","90","","95.126","0.002","90","","4756.3","0.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H48 Cl Cu2 Mn N4 O7.5 -","- C45 H45 Cl Cu2 Mn N4 O7.5 -","- C180 H180 Cl4 Cu8 Mn4 N16 O30 -","4","0.5","","Dutta, Sabarni; Bhunia, Pradip; Mayans, Júlia; Drew, Michael G. B.; Ghosh, Ashutosh","Roles of basicity and steric crowding of anionic coligands in catechol oxidase-like activity of Cu(ii)-Mn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11268","11281","10.1039/d0dt00952k","","","0.71073","MoKα","","0.0932","0.0631","","","0.1992","0.2286","","","","","","1.085","","","","has coordinates,has disorder","256053","2020-10-21","18:00:00",""
"7704867","15.6553","0.0019","16.993","0.002","19.634","0.002","90","","110.755","0.005","90","","4884.3","1","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H53 Cl Cu2 Mn N4 O15 -","- C45 H47 Cl Cu2 Mn N4 O15 -","- C180 H188 Cl4 Cu8 Mn4 N16 O60 -","4","1","","Dutta, Sabarni; Bhunia, Pradip; Mayans, Júlia; Drew, Michael G. B.; Ghosh, Ashutosh","Roles of basicity and steric crowding of anionic coligands in catechol oxidase-like activity of Cu(ii)-Mn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11268","11281","10.1039/d0dt00952k","","","0.71073","MoKα","","0.1646","0.0792","","","0.1927","0.2523","","","","","","1.05","","","","has coordinates,has disorder","256053","2020-10-21","18:00:00",""
"7704868","24.514","0.002","10.5637","0.0009","15.9325","0.0014","90","","95.259","0.003","90","","4108.5","0.6","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C40 H48 Cl Cu2 Mn N4 O12 -","- C40 H47 Cl Cu2 Mn N4 O12 -","- C160 H188 Cl4 Cu8 Mn4 N16 O48 -","4","1","","Dutta, Sabarni; Bhunia, Pradip; Mayans, Júlia; Drew, Michael G. B.; Ghosh, Ashutosh","Roles of basicity and steric crowding of anionic coligands in catechol oxidase-like activity of Cu(ii)-Mn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11268","11281","10.1039/d0dt00952k","","","0.71073","MoKα","","0.0558","0.0486","","","0.1192","0.1247","","","","","","1.019","","","","has coordinates,has disorder","256053","2020-10-21","18:00:00",""
"7704869","14.303","0.004","15.673","0.005","15.979","0.005","107.04","0.03","99.23","0.03","97.21","0.03","3323.5","1.9","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C128.4 H144.4 Ca2 Mn6 N12.2 O34.9 -","- C128.4 H142.6 Ca2 Mn6 N12.2 O34.9 -","- C128.4 H142.6 Ca2 Mn6 N12.2 O34.9 -","1","0.5","","Tziotzi, Thomais G.; Andreou, Evangelos K.; Tzanetou, Eirini; Kalofolias, Dimitris A.; Cutler, Daniel J.; Weselski, Marek; Siczek, Milosz; Lis, Tadeusz; Brechin, Euan K.; Milios, Constantinos J.","The first amino acid bound manganese-calcium clusters: a {[MnCa]<sub>2</sub>} methylalanine complex, and a [MnCa] trigonal prism.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10339","10343","10.1039/d0dt01916j","","","0.71073","MoKα","","0.105","0.0674","","","0.1719","0.201","","","","","","1.006","","","","has coordinates,has disorder","257535","2020-10-21","18:00:00",""
"7704870","21.029","0.004","21.029","0.004","143.48","0.06","90","","90","","120","","54949","3","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C66 H100.2 Ca Cl2 Mn6 N6 O46.1 -","- C66 H89.25 Ca Cl2 Mn6 N6 O46.1 -","- C1584 H2142 Ca24 Cl48 Mn144 N144 O1106.4 -","24","0.666667","","Tziotzi, Thomais G.; Andreou, Evangelos K.; Tzanetou, Eirini; Kalofolias, Dimitris A.; Cutler, Daniel J.; Weselski, Marek; Siczek, Milosz; Lis, Tadeusz; Brechin, Euan K.; Milios, Constantinos J.","The first amino acid bound manganese-calcium clusters: a {[MnCa]<sub>2</sub>} methylalanine complex, and a [MnCa] trigonal prism.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10339","10343","10.1039/d0dt01916j","","","0.71073","MoKα","","0.1749","0.1061","","","0.1777","0.2075","","","","","","1.125","","","","has coordinates,has disorder","257535","2020-10-21","18:00:00",""
"7704871","9.1989","0.0006","18.1118","0.0011","12.3062","0.0008","90","","107.226","0.007","90","","1958.4","0.2","298.15","","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N4 O7 S Zn -","- C19 H16 N4 O7 S Zn -","- C76 H64 N16 O28 S4 Zn4 -","4","1","","Xu, Tian-Yang; Nie, Hong-Jiao; Li, Jia-Ming; Shi, Zhong-Feng","Highly selective sensing of Fe<sup>3+</sup>/Hg<sup>2+</sup> and proton conduction using two fluorescent Zn(ii) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11129","11141","10.1039/d0dt02327b","","x-ray","0.71073","MoKα","","0.0391","0.0314","","","0.0777","0.0832","","","","","","1.063","","","","has coordinates","256058","2020-10-21","18:00:00",""
"7704872","12.6892","0.0009","18.5404","0.0013","22.1736","0.0016","90","","93.755","0.001","90","","5205.4","0.6","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 N12 O15.5 S2 Zn3 -","- C50 H44 N12 O15.5 S2 Zn3 -","- C200 H176 N48 O62 S8 Zn12 -","4","1","","Xu, Tian-Yang; Nie, Hong-Jiao; Li, Jia-Ming; Shi, Zhong-Feng","Highly selective sensing of Fe<sup>3+</sup>/Hg<sup>2+</sup> and proton conduction using two fluorescent Zn(ii) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11129","11141","10.1039/d0dt02327b","","","0.71073","MoKα","","0.0619","0.038","","","0.0913","0.1025","","","","","","1.042","","","","has coordinates,has disorder","256058","2020-10-21","18:00:00",""
"7704873","17.0267","0.0005","16.8322","0.0005","22.5364","0.0008","90","","90","","90","","6458.9","0.4","180","2","180","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C76 H64 N6 O8 Tb2 -","- C76 H64 N6 O8 Tb2 -","- C304 H256 N24 O32 Tb8 -","4","0.5","","Hahn, Peter; Ullmann, Steve; Klose, Jennifer; Peng, Yan; Powell, Annie K.; Kersting, Berthold","Dinuclear Tb and Dy complexes supported by hybrid Schiff-base/calixarene ligands: synthesis, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10901","10908","10.1039/d0dt02209h","","","1.54186","CuKα","","0.1051","0.0719","","","0.1647","0.1835","","","","","","1.066","","","","has coordinates","256089","2020-10-21","18:00:00",""
"7704874","16.8208","0.0005","16.9909","0.0004","22.5406","0.0007","90","","90","","90","","6442.1","0.3","180","2","180","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C76 H64 Dy2 N6 O8 -","- C76 H64 Dy2 N6 O8 -","- C304 H256 Dy8 N24 O32 -","4","0.5","","Hahn, Peter; Ullmann, Steve; Klose, Jennifer; Peng, Yan; Powell, Annie K.; Kersting, Berthold","Dinuclear Tb and Dy complexes supported by hybrid Schiff-base/calixarene ligands: synthesis, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10901","10908","10.1039/d0dt02209h","","","1.54186","CuKα","","0.1034","0.0713","","","0.1817","0.2067","","","","","","0.946","","","","has coordinates","256089","2020-10-21","18:00:00",""
"7704875","38.4703","0.0007","32.873","0.0007","11.9611","0.0003","90","","90","","90","","15126.4","0.6","100.02","0.12","100.15","","","","","","","","","7","P 21 21 2","P 2 2ab","18","CuATSMF18Glu","CuL1","","- C28 H33 Cu F18 N7 O9 S2 -","- C28 H33 Cu F18 N7 O9 S2 -","- C336 H396 Cu12 F216 N84 O108 S24 -","12","3","","Kadakia, Rahul T.; Xie, Da; Guo, Hongyu; Bouley, Bailey; Yu, Meng; Que, Emily L.","Responsive fluorinated nanoemulsions for <sup>19</sup>F magnetic resonance detection of cellular hypoxia.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16419","16424","10.1039/d0dt01182g","","","1.54184","CuKα","","0.093","0.0738","","","0.1796","0.195","","","","","","1.043","","","","has coordinates,has disorder","260789","2021-01-07","06:30:59",""
"7704876","4.653","0.0015","11.365","0.002","16.636","0.004","70.59","0.018","88.62","0.02","86.101","0.019","827.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 I2 N4 O Pb -","- C12 H10 I2 N4 O Pb -","- C24 H20 I4 N8 O2 Pb2 -","2","1","","Mahmoudi, Ghodrat; Afkhami, Farhad Akbari; Kennedy, Alan R.; Zubkov, Fedor I.; Zangrando, Ennio; Kirillov, Alexander M.; Molins, Elies; Mitoraj, Mariusz P.; Safin, Damir A.","Lead(ii) coordination polymers driven by pyridine-hydrazine donors: from anion-guided self-assembly to structural features.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11238","11248","10.1039/d0dt01704c","","x-ray","0.71073","MoKα","","0.1093","0.0554","","","0.1281","0.1509","","","","","","1.037","","","","has coordinates","256061","2020-10-21","18:00:00",""
"7704877","9.1144","0.0018","11.331","0.002","12.168","0.002","81.869","0.003","74.622","0.004","71.2","0.003","1144.9","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N6 O8 Pb -","- C19 H18 N6 O8 Pb -","- C38 H36 N12 O16 Pb2 -","2","1","","Mahmoudi, Ghodrat; Afkhami, Farhad Akbari; Kennedy, Alan R.; Zubkov, Fedor I.; Zangrando, Ennio; Kirillov, Alexander M.; Molins, Elies; Mitoraj, Mariusz P.; Safin, Damir A.","Lead(ii) coordination polymers driven by pyridine-hydrazine donors: from anion-guided self-assembly to structural features.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11238","11248","10.1039/d0dt01704c","","","0.71073","MoKα","","0.0355","0.0301","","","0.0752","0.0785","","","","","","1.072","","","","has coordinates,has disorder","256061","2020-10-21","18:00:00",""
"7704878","6.8225","0.0002","18.6186","0.0005","11.9818","0.0003","90","","104.108","0.003","90","","1476.09","0.07","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 I N4 O Pb -","- C13 H11 I N4 O Pb -","- C52 H44 I4 N16 O4 Pb4 -","4","1","","Mahmoudi, Ghodrat; Afkhami, Farhad Akbari; Kennedy, Alan R.; Zubkov, Fedor I.; Zangrando, Ennio; Kirillov, Alexander M.; Molins, Elies; Mitoraj, Mariusz P.; Safin, Damir A.","Lead(ii) coordination polymers driven by pyridine-hydrazine donors: from anion-guided self-assembly to structural features.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11238","11248","10.1039/d0dt01704c","","","0.71073","MoKα","","0.0384","0.0297","","","0.0496","0.0526","","","","","","1.029","","","","has coordinates","256061","2020-10-21","18:00:00",""
"7704879","6.7965","0.0005","7.187","0.0006","11.82","0.0009","75.46","0.001","82.148","0.001","77.434","0.001","543.43","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H5 N4 Pb S2 -","- C8 H5 N4 Pb S2 -","- C16 H10 N8 Pb2 S4 -","2","1","","Mahmoudi, Ghodrat; Afkhami, Farhad Akbari; Kennedy, Alan R.; Zubkov, Fedor I.; Zangrando, Ennio; Kirillov, Alexander M.; Molins, Elies; Mitoraj, Mariusz P.; Safin, Damir A.","Lead(ii) coordination polymers driven by pyridine-hydrazine donors: from anion-guided self-assembly to structural features.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11238","11248","10.1039/d0dt01704c","","","0.71073","MoKα","","0.0352","0.0318","","","0.0897","0.0928","","","","","","1.104","","","","has coordinates","256061","2020-10-21","18:00:00",""
"7704880","11.4532","0.0005","15.8034","0.0007","18.1543","0.0008","90","","95.0909","0.0016","90","","3273","0.2","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 F6 Ir N6 O2 P -","- C34 H32 F6 Ir N6 O2 P -","- C136 H128 F24 Ir4 N24 O8 P4 -","4","1","","Puttock, Emma V.; Sil, Amit; Yufit, Dmitry S.; Williams, J. A. Gareth","Mono and dinuclear iridium(iii) complexes featuring bis-tridentate coordination and Schiff-base bridging ligands: the beneficial effect of a second metal ion on luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10463","10476","10.1039/d0dt01964j","","x-ray","0.71073","MoKα","","0.0214","0.0161","","","0.0348","0.0367","","","","","","1.054","","","","has coordinates","257521","2020-10-21","18:00:00",""
"7704881","12.72","0.0011","14.3155","0.0012","19.917","0.0017","86.983","0.003","79.538","0.003","78.218","0.002","3490.9","0.5","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H60 F12 Ir2 N14 O2 P2 -","- C64 H60 F12 Ir2 N14 O2 P2 -","- C128 H120 F24 Ir4 N28 O4 P4 -","2","1","","Puttock, Emma V.; Sil, Amit; Yufit, Dmitry S.; Williams, J. A. Gareth","Mono and dinuclear iridium(iii) complexes featuring bis-tridentate coordination and Schiff-base bridging ligands: the beneficial effect of a second metal ion on luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10463","10476","10.1039/d0dt01964j","","x-ray","0.71073","MoKα","","0.1517","0.0735","","","0.1514","0.17","","","","","","0.958","","","","has coordinates,has disorder","257521","2020-10-21","18:00:00",""
"7704882","12.4261","0.0012","15.8044","0.0015","19.8347","0.0019","76.196","0.003","74.21","0.003","81.438","0.003","3625.3","0.6","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C70 H71 F16 Ir2 N13 O3 P2 -","- C70 H71 F16 Ir2 N13 O3 P2 -","- C140 H142 F32 Ir4 N26 O6 P4 -","2","1","","Puttock, Emma V.; Sil, Amit; Yufit, Dmitry S.; Williams, J. A. Gareth","Mono and dinuclear iridium(iii) complexes featuring bis-tridentate coordination and Schiff-base bridging ligands: the beneficial effect of a second metal ion on luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10463","10476","10.1039/d0dt01964j","","x-ray","0.71073","MoKα","","0.1505","0.064","","","0.1165","0.1398","","","","","","0.989","","","","has coordinates","257521","2020-10-21","18:00:00",""
"7704883","12.1186","0.0012","12.2241","0.001","12.9851","0.0011","72.172","0.003","77.714","0.003","88.934","0.003","1787","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H52 N6 O2 -","- C36 H52 N6 O2 -","- C72 H104 N12 O4 -","2","1","","Puttock, Emma V.; Sil, Amit; Yufit, Dmitry S.; Williams, J. A. Gareth","Mono and dinuclear iridium(iii) complexes featuring bis-tridentate coordination and Schiff-base bridging ligands: the beneficial effect of a second metal ion on luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10463","10476","10.1039/d0dt01964j","","x-ray","0.71073","MoKα","","0.0964","0.0556","","","0.1208","0.1369","","","","","","1.021","","","","has coordinates","257521","2020-10-21","18:00:00",""
"7704884","15.5025","0.0012","10.4734","0.0008","11.3532","0.0009","90","","93.231","0.007","90","","1840.4","0.2","120","","120","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C20 H20 N6 O2 -","- C20 H20 N6 O2 -","- C80 H80 N24 O8 -","4","0.5","","Puttock, Emma V.; Sil, Amit; Yufit, Dmitry S.; Williams, J. A. Gareth","Mono and dinuclear iridium(iii) complexes featuring bis-tridentate coordination and Schiff-base bridging ligands: the beneficial effect of a second metal ion on luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10463","10476","10.1039/d0dt01964j","","x-ray","0.71073","MoKα","","0.1101","0.0565","","","0.1088","0.1299","","","","","","1.02","","","","has coordinates","257521","2020-10-21","18:00:00",""
"7704885","12.2674","0.0011","16.3422","0.0015","21.227","0.002","75.235","0.003","76.582","0.003","87.493","0.003","4002.1","0.6","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C141 H150 F18 Ir4 N26 O5 P3 -","- C141 H150 F18 Ir4 N26 O5 P3 -","- C141 H150 F18 Ir4 N26 O5 P3 -","1","0.5","","Puttock, Emma V.; Sil, Amit; Yufit, Dmitry S.; Williams, J. A. Gareth","Mono and dinuclear iridium(iii) complexes featuring bis-tridentate coordination and Schiff-base bridging ligands: the beneficial effect of a second metal ion on luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10463","10476","10.1039/d0dt01964j","","x-ray","0.71073","MoKα","","0.0674","0.0484","","","0.1054","0.1166","","","","","","1.053","","","","has coordinates,has disorder","257521","2020-10-21","18:00:00",""
"7704886","15.168","0.002","25.268","0.004","28.983","0.004","90","","102.353","0.003","90","","10851","3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H71 Cu12 Eu3 I12 N14 O23 -","- C69 H71 Cu12 Eu3 I12 N14 O23 -","- C276 H284 Cu48 Eu12 I48 N56 O92 -","4","1","","Guo, Feng; Su, Changhua; Fan, Yuhang; Shi, Wenbing; Zhang, Xiuling; Xu, Jiakun","Coordination-driven assembly of a 3d-4f heterometallic organic framework with 1D Cu<sub>4</sub>I<sub>4</sub> and Eu-based chains: syntheses, structures and various properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11209","11216","10.1039/d0dt01811b","","","0.71073","MoKα","","0.0601","0.0385","","","0.0802","0.0866","","","","","","1.032","","","","has coordinates,has disorder","256057","2020-10-21","18:00:00",""
"7704887","14.0953","0.0002","9.4611","0.0001","11.5348","0.0001","90","","105.609","0.001","90","","1481.52","0.03","100","0.1","100","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H21 Cl2 Ga N2 -","- C11 H21 Cl2 Ga N2 -","- C44 H84 Cl8 Ga4 N8 -","4","1","","Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo","N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11108","11119","10.1039/d0dt02070b","","","1.54184","CuKα","","0.0328","0.0328","","","0.0864","0.0864","","","","","","1.091","","","","has coordinates","256062","2020-10-21","18:00:00",""
"7704888","12.5681","0.0001","12.3916","0.0001","23.3708","0.0002","90","","90","","90","","3639.74","0.05","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H32.5 Ga0.5 N -","- C20 H32.5 Ga0.5 N -","- C160 H260 Ga4 N8 -","8","1","","Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo","N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11108","11119","10.1039/d0dt02070b","","","1.54184","CuKα","","0.037","0.0357","","","0.0964","0.0976","","","","","","1.055","","","","has coordinates,has disorder","256062","2020-10-21","18:00:00",""
"7704889","14.8846","0.0002","14.9936","0.0002","19.007","0.0003","90","","90","","90","","4241.86","0.1","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H32 Cl2 Ga N -","- C20 H32 Cl2 Ga N -","- C160 H256 Cl16 Ga8 N8 -","8","1","","Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo","N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11108","11119","10.1039/d0dt02070b","","","1.54184","CuKα","","0.0531","0.0501","","","0.1347","0.1379","","","","","","1.072","","","","has coordinates","256062","2020-10-21","18:00:00",""
"7704890","10.5387","0.0001","12.5325","0.0001","18.4981","0.0001","100.081","0.001","99.022","0.001","112.962","0.001","2145.48","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C47 H70 Ga N3 -","- C47 H70 Ga N3 -","- C94 H140 Ga2 N6 -","2","1","","Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo","N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11108","11119","10.1039/d0dt02070b","","","1.54184","CuKα","","0.0362","0.0337","","","0.0887","0.0907","","","","","","1.008","","","","has coordinates","256062","2020-10-21","18:00:00",""
"7704891","16.4027","0.0002","19.2302","0.0002","18.9987","0.0002","90","","111.717","0.001","90","","5567.36","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 Cl2 Ga N2 -","- C27 H37 Cl2 Ga N2 -","- C216 H296 Cl16 Ga8 N16 -","8","2","","Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo","N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11108","11119","10.1039/d0dt02070b","","","1.54184","CuKα","","0.0404","0.0363","","","0.0958","0.0984","","","","","","1.048","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7704892","7.4953","0.0001","15.4509","0.0003","8.4772","0.0002","90","","103.862","0.002","90","","953.14","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Ga N2 -","- C7 H15 Ga N2 -","- C28 H60 Ga4 N8 -","4","1","","Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo","N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11108","11119","10.1039/d0dt02070b","","","1.54184","CuKα","","0.0327","0.0312","","","0.0886","0.09","","","","","","0.92","","","","has coordinates","256062","2020-10-21","18:00:00",""
"7704893","12.6504","0.0002","15.3371","0.0003","15.5035","0.0003","63.215","0.002","86.682","0.002","83.655","0.002","2668.69","0.1","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H41 Ga N2 -","- C27 H41 Ga N2 -","- C108 H164 Ga4 N8 -","4","2","","Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo","N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11108","11119","10.1039/d0dt02070b","","","1.54184","CuKα","","0.053","0.0493","","","0.1393","0.1436","","","","","","1.069","","","","has coordinates","295543","2024-10-18","15:17:10",""
"7704894","13.7109","0.0001","13.0468","0.0002","18.9477","0.0002","90","","101.924","0.001","90","","3316.29","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H57 Ga N3 -","- C34 H57 Ga N3 -","- C136 H228 Ga4 N12 -","4","1","","Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo","N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11108","11119","10.1039/d0dt02070b","","","1.54184","CuKα","","0.0378","0.0344","","","0.0902","0.0923","","","","","","1.097","","","","has coordinates,has disorder","256062","2020-10-21","18:00:00",""
"7704895","9.3195","0.0002","15.9016","0.0003","18.0954","0.0003","100.595","0.002","93.021","0.001","91.58","0.002","2630.37","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H46 Ga N3 -","- C27 H46 Ga N3 -","- C108 H184 Ga4 N12 -","4","2","","Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo","N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11108","11119","10.1039/d0dt02070b","","","1.54184","CuKα","","0.0366","0.0339","","","0.0918","0.0942","","","","","","0.958","","","","has coordinates","295862","2024-11-09","12:08:13",""
"7704896","15.2164","0.0001","10.8601","0.0001","19.7874","0.0002","90","","92.335","0.001","90","","3267.18","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H52 Cl2 Ga N3 -","- C31 H52 Cl2 Ga N3 -","- C124 H208 Cl8 Ga4 N12 -","4","1","","Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo","N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11108","11119","10.1039/d0dt02070b","","","1.54184","CuKα","","0.033","0.0303","","","0.0803","0.0822","","","","","","1.04","","","","has coordinates","256062","2020-10-21","18:00:00",""
"7704897","9.3866","0.0009","17.0136","0.0017","21.57","0.002","111.875","0.004","98.356","0.004","91.005","0.004","3153.1","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H53 Cl Ga N3 -","- C31 H53 Cl Ga N3 -","- C124 H212 Cl4 Ga4 N12 -","4","2","","Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo","N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11108","11119","10.1039/d0dt02070b","","","0.71073","MoKα","","0.0568","0.0432","","","0.103","0.1106","","","","","","0.843","","","","has coordinates","256062","2020-10-21","18:00:00",""
"7704898","9.7512","0.0005","10.0492","0.0009","17.5693","0.0019","77.168","0.0018","73.91","0.0017","85.261","0.002","1612.5","0.2","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H45 Cl N4 Pt -","- C36 H45 Cl N4 Pt -","- C72 H90 Cl2 N8 Pt2 -","2","1","","Qiu, Yuqing; Feng, Yuquan; Zhao, Qian; Wang, Hongwei; Guo, Yingchen; Qiu, Dongfang","White light emission from a green cyclometalated platinum(ii) terpyridylphenylacetylide upon titration with Zn(ii) and Eu(iii ).","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11163","11169","10.1039/d0dt02336a","","","0.71073","MoKα","","0.0586","0.0435","","","0.0803","0.0867","","","","","","1.082","","","","has coordinates","256055","2020-10-21","18:00:00",""
"7704899","10.536","0.0008","11.9418","0.001","20.8159","0.0017","96.159","0.003","97.366","0.003","110.571","0.002","2398.8","0.3","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C59 H59 N7 Pt -","- C59 H59 N7 Pt -","- C118 H118 N14 Pt2 -","2","1","","Qiu, Yuqing; Feng, Yuquan; Zhao, Qian; Wang, Hongwei; Guo, Yingchen; Qiu, Dongfang","White light emission from a green cyclometalated platinum(ii) terpyridylphenylacetylide upon titration with Zn(ii) and Eu(iii ).","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11163","11169","10.1039/d0dt02336a","","","0.71073","MoKα","","0.0766","0.0488","","","0.0769","0.0874","","","","","","1.028","","","","has coordinates,has disorder","256055","2020-10-21","18:00:00",""
"7704900","40.7539","0.0019","40.7539","0.0019","20.1854","0.0009","90","","90","","90","","33526","3","150","","150","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C83.5 H104 Dy2 N4 O15.5 -","- C83.5 H104 Dy2 N4 O15.5 -","- C1336 H1664 Dy32 N64 O248 -","16","1","","Ke, Hongshan; Yang, Yongsheng; Wei, Wen; Jiang, Youdong; Zhang, Yi-Quan; Xie, Gang; Chen, Sanping","Synergistic effect of mixed ligands on the anisotropy axis of two dinuclear dysprosium complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10594","10602","10.1039/d0dt02139c","","","0.71073","MoKα","","0.0872","0.0505","","","0.1004","0.1163","","","","","","1.068","","","","has coordinates,has disorder","257529","2020-10-21","18:00:00",""
"7704901","26.065","0.003","26.065","0.003","36.149","0.006","90","","90","","120","","21269","5","296.98","","296.98","","","","","","","","","5","R 3 :H","R 3","146","","","","- C91 H116 Dy2 N4 O14 -","- C91 H116 Dy2 N4 O14 -","- C819 H1044 Dy18 N36 O126 -","9","1","","Ke, Hongshan; Yang, Yongsheng; Wei, Wen; Jiang, Youdong; Zhang, Yi-Quan; Xie, Gang; Chen, Sanping","Synergistic effect of mixed ligands on the anisotropy axis of two dinuclear dysprosium complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10594","10602","10.1039/d0dt02139c","","","1.54178","CuKα","","0.0728","0.0595","","","0.1585","0.1663","","","","","","1.185","","","","has coordinates,has disorder","257529","2020-10-21","18:00:00",""
"7704902","13.8086","0.0001","16.6672","0.0001","25.6761","0.0002","90","","103.509","0.001","90","","5745.88","0.07","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H71 Ca N2 O P Sn -","- C65 H71 Ca N2 O P Sn -","- C260 H284 Ca4 N8 O4 P4 Sn4 -","4","1","","Morris, Louis J.; Rajabi, Nasir A.; Mahon, Mary F.; Manners, Ian; McMullin, Claire L.; Hill, Michael S.","Synthesis and reactivity of alkaline-earth stannanide complexes by hydride-mediated distannane metathesis and organostannane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10523","10534","10.1039/d0dt02406f","","x-ray","1.54184","CuKα","","0.0381","0.0304","","","0.0682","0.0711","","","","","","1.017","","","","has coordinates,has disorder","257526","2020-10-21","18:00:00",""
"7704903","11.7504","0.00006","19.53398","0.00009","20.68576","0.0001","90","","91.9625","0.0004","90","","4745.26","0.04","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H64 Mg N2 O Sn -","- C51 H64 Mg N2 O Sn -","- C204 H256 Mg4 N8 O4 Sn4 -","4","1","","Morris, Louis J.; Rajabi, Nasir A.; Mahon, Mary F.; Manners, Ian; McMullin, Claire L.; Hill, Michael S.","Synthesis and reactivity of alkaline-earth stannanide complexes by hydride-mediated distannane metathesis and organostannane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10523","10534","10.1039/d0dt02406f","","x-ray","1.54184","CuKα","","0.0374","0.0356","","","0.0919","0.0936","","","","","","1.037","","","","has coordinates,has disorder","257526","2020-10-21","18:00:00",""
"7704904","12.2886","0.0001","39.839","0.0003","10.8375","0.0001","90","","109.143","0.001","90","","5012.28","0.08","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H72 Ca N2 O2 Sn -","- C55 H72 Ca N2 O2 Sn -","- C220 H288 Ca4 N8 O8 Sn4 -","4","1","","Morris, Louis J.; Rajabi, Nasir A.; Mahon, Mary F.; Manners, Ian; McMullin, Claire L.; Hill, Michael S.","Synthesis and reactivity of alkaline-earth stannanide complexes by hydride-mediated distannane metathesis and organostannane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10523","10534","10.1039/d0dt02406f","","x-ray","1.54184","CuKα","","0.0445","0.0414","","","0.103","0.1054","","","","","","1.029","","","","has coordinates,has disorder","257526","2020-10-21","18:00:00",""
"7704905","26.2727","0.0004","29.203","0.0004","29.141","0.0005","90","","100.881","0.002","90","","21956.2","0.6","150","0.1","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C58 H78 Ca N4 O Sn -","- C58 H78 Ca N4 O Sn -","- C928 H1248 Ca16 N64 O16 Sn16 -","16","4","","Morris, Louis J.; Rajabi, Nasir A.; Mahon, Mary F.; Manners, Ian; McMullin, Claire L.; Hill, Michael S.","Synthesis and reactivity of alkaline-earth stannanide complexes by hydride-mediated distannane metathesis and organostannane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10523","10534","10.1039/d0dt02406f","","x-ray","1.54184","CuKα","","0.0766","0.0632","","","0.1589","0.173","","","","","","1.06","","","","has coordinates","257526","2020-10-21","18:00:00",""
"7704906","11.6076","0.0001","17.5323","0.0001","12.4069","0.0001","90","","91.72","0.001","90","","2523.76","0.03","150","0.1","150","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C55 H72 Ca N2 O Sn -","- C55 H72 Ca N2 O Sn -","- C110 H144 Ca2 N4 O2 Sn2 -","2","0.5","","Morris, Louis J.; Rajabi, Nasir A.; Mahon, Mary F.; Manners, Ian; McMullin, Claire L.; Hill, Michael S.","Synthesis and reactivity of alkaline-earth stannanide complexes by hydride-mediated distannane metathesis and organostannane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10523","10534","10.1039/d0dt02406f","","x-ray","1.54184","CuKα","","0.0348","0.0339","","","0.0898","0.0909","","","","","","1.047","","","","has coordinates,has disorder","257526","2020-10-21","18:00:00",""
"7704907","13.0529","0.0002","18.2412","0.0003","23.3362","0.0004","90","","105.143","0.002","90","","5363.43","0.16","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57.5 H77 Mg N4 Sn -","- C54 H70 Mg N4 Sn -","- C216 H280 Mg4 N16 Sn4 -","4","1","","Morris, Louis J.; Rajabi, Nasir A.; Mahon, Mary F.; Manners, Ian; McMullin, Claire L.; Hill, Michael S.","Synthesis and reactivity of alkaline-earth stannanide complexes by hydride-mediated distannane metathesis and organostannane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10523","10534","10.1039/d0dt02406f","","x-ray","0.71073","MoKα","","0.0365","0.0282","","","0.0633","0.0672","","","","","","1.022","","","","has coordinates","257526","2020-10-21","18:00:00",""
"7704908","20.3538","0.0002","10.4069","0.0001","20.6522","0.0002","90","","113.418","0.001","90","","4014.22","0.07","150.01","0.1","150.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C176 H192 Sn12 -","- C176 H192 Sn12 -","- C176 H192 Sn12 -","1","0.25","","Morris, Louis J.; Rajabi, Nasir A.; Mahon, Mary F.; Manners, Ian; McMullin, Claire L.; Hill, Michael S.","Synthesis and reactivity of alkaline-earth stannanide complexes by hydride-mediated distannane metathesis and organostannane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10523","10534","10.1039/d0dt02406f","","x-ray","1.54184","CuKα","","0.0362","0.0337","","","0.0875","0.0898","","","","","","1.047","","","","has coordinates,has disorder","257526","2020-10-21","18:00:00",""
"7704909","11.6369","0.0007","12.9702","0.0007","15.9325","0.0008","90","","109.95","0.006","90","","2260.4","0.2","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Br Cl N3 O Ru -","- C25 H21 Br Cl N3 O Ru -","- C100 H84 Br4 Cl4 N12 O4 Ru4 -","4","1","","Sathiya Kamatchi, Thangavel; Mohamed Subarkhan, Mohamed Kasim; Ramesh, Rengan; Wang, Hangxiang; Małecki, Jan Grzegorz","Investigation into antiproliferative activity and apoptosis mechanism of new arene Ru(ii) carbazole-based hydrazone complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11385","11395","10.1039/d0dt01476a","","x-ray","0.71073","MoKα","","0.0495","0.0326","","","0.067","0.0741","","","","","","1.049","","","","has coordinates","256060","2020-10-21","18:00:00",""
"7704910","9.5226","0.0003","12.4404","0.0005","18.1571","0.0007","90","","90","","90","","2150.98","0.14","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Cl N3 O Ru -","- C25 H22 Cl N3 O Ru -","- C100 H88 Cl4 N12 O4 Ru4 -","4","1","","Sathiya Kamatchi, Thangavel; Mohamed Subarkhan, Mohamed Kasim; Ramesh, Rengan; Wang, Hangxiang; Małecki, Jan Grzegorz","Investigation into antiproliferative activity and apoptosis mechanism of new arene Ru(ii) carbazole-based hydrazone complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11385","11395","10.1039/d0dt01476a","","x-ray","0.71073","MoKα","","0.0406","0.0314","","","0.0596","0.0639","","","","","","1.048","","","","has coordinates,has disorder","256060","2020-10-21","18:00:00",""
"7704911","10.8358","0.0006","7.4023","0.0004","23.0943","0.0014","90","","96.837","0.006","90","","1839.22","0.18","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C80 H84 N12 O12 -","4","1","","Sathiya Kamatchi, Thangavel; Mohamed Subarkhan, Mohamed Kasim; Ramesh, Rengan; Wang, Hangxiang; Małecki, Jan Grzegorz","Investigation into antiproliferative activity and apoptosis mechanism of new arene Ru(ii) carbazole-based hydrazone complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11385","11395","10.1039/d0dt01476a","","x-ray","0.71073","MoKα","","0.088","0.053","","","0.1227","0.1452","","","","","","1.02","","","","has coordinates","256060","2020-10-21","18:00:00",""
"7704912","23.856","0.004","8.3192","0.0018","17.006","0.003","90","","90","","90","","3375.1","1.1","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H16 Br N3 O -","- C19 H16 Br N3 O -","- C152 H128 Br8 N24 O8 -","8","2","","Sathiya Kamatchi, Thangavel; Mohamed Subarkhan, Mohamed Kasim; Ramesh, Rengan; Wang, Hangxiang; Małecki, Jan Grzegorz","Investigation into antiproliferative activity and apoptosis mechanism of new arene Ru(ii) carbazole-based hydrazone complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11385","11395","10.1039/d0dt01476a","","x-ray","0.71073","MoKα","","0.1077","0.0564","","","0.1281","0.1554","","","","","","1.029","","","","has coordinates,has disorder","256060","2020-10-21","18:00:00",""
"7704913","11.4635","0.0003","12.8709","0.0004","16.2088","0.0004","90","","108.314","0.003","90","","2270.4","0.11","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Cl N3 O2 Ru -","- C26 H24 Cl N3 O2 Ru -","- C104 H96 Cl4 N12 O8 Ru4 -","4","1","","Sathiya Kamatchi, Thangavel; Mohamed Subarkhan, Mohamed Kasim; Ramesh, Rengan; Wang, Hangxiang; Małecki, Jan Grzegorz","Investigation into antiproliferative activity and apoptosis mechanism of new arene Ru(ii) carbazole-based hydrazone complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11385","11395","10.1039/d0dt01476a","","x-ray","0.71073","MoKα","","0.0448","0.0317","","","0.0728","0.081","","","","","","1.043","","","","has coordinates","256060","2020-10-21","18:00:00",""
"7704914","16.0291","0.0019","8.3132","0.001","17.158","0.002","90","","91.52","0.002","90","","2285.6","0.5","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N6 O6 Zn -","- C24 H16 N6 O6 Zn -","- C96 H64 N24 O24 Zn4 -","4","1","","Zhang, Shi-Hui; Zhang, Shu-Yu; Li, Jing-Rong; Huang, Zhen-Qi; Yang, Jing; Yue, Ke-Fen; Wang, Yao-Yu","Rational synthesis of an ultra-stable Zn(ii) coordination polymer based on a new tripodal pyrazole ligand for the highly sensitive and selective detection of Fe<sup>3+</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11201","11208","10.1039/d0dt01996h","","","0.71073","MoKα","","0.0479","0.0348","","","0.0849","0.0911","","","","","","1.041","","","","has coordinates","256059","2020-10-21","18:00:00",""
"7704915","18.4346","0.0007","4.2211","0.0002","28.6476","0.0014","90","","101.236","0.004","90","","2186.47","0.17","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cu2 I2 N3 O4 S2 -","- C14 H11 Cu2 I2 N3 O4 S2 -","- C56 H44 Cu8 I8 N12 O16 S8 -","4","1","","Hassanein, Khaled; Cappuccino, Chiara; Amo-Ochoa, Pilar; López-Molina, Jesús; Maini, Lucia; Bandini, Elisa; Ventura, Barbara","Multifunctional coordination polymers based on copper(i) and mercaptonicotinic ligands: synthesis, and structural, optical and electrical characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10545","10553","10.1039/d0dt01127d","","x-ray","0.71073","MoKα","","0.0808","0.0561","","","0.0952","0.1025","","","","","","1.122","","","","has coordinates","257534","2020-10-21","18:00:00",""
"7704916","15.8563","0.0005","15.8563","0.0005","6.565","0.0002","90","","90","","120","","1429.45","0.08","293","2","293","2","","","","","","","","7","P 63","P 6c","173","","","","- C6 H5 Cl Cu N O2 S -","- C6 H5 Cl1.001 Cu N O2 S -","- C36 H30 Cl6.006 Cu6 N6 O12 S6 -","6","1","","Hassanein, Khaled; Cappuccino, Chiara; Amo-Ochoa, Pilar; López-Molina, Jesús; Maini, Lucia; Bandini, Elisa; Ventura, Barbara","Multifunctional coordination polymers based on copper(i) and mercaptonicotinic ligands: synthesis, and structural, optical and electrical characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10545","10553","10.1039/d0dt01127d","","x-ray","0.71073","MoKα","","0.0769","0.0534","","","0.1165","0.1276","","","","","","1.053","","","","has coordinates,has disorder","257534","2020-10-21","18:00:00",""
"7704917","15.8563","0.0005","15.8563","0.0005","6.565","0.0002","90","","90","","120","","1429.45","0.08","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C6 H5 Cl Cu N O2 S -","- C6 H5 Cl1.002 Cu N O2 S -","- C36 H30 Cl6.012 Cu6 N6 O12 S6 -","6","1","","Hassanein, Khaled; Cappuccino, Chiara; Amo-Ochoa, Pilar; López-Molina, Jesús; Maini, Lucia; Bandini, Elisa; Ventura, Barbara","Multifunctional coordination polymers based on copper(i) and mercaptonicotinic ligands: synthesis, and structural, optical and electrical characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10545","10553","10.1039/d0dt01127d","","x-ray","0.71073","MoKα","","0.0582","0.0434","","","0.1044","0.1113","","","","","","1.057","","","","has coordinates,has disorder","257534","2020-10-21","18:00:00",""
"7704918","3.9074","0.0001","5.9276","0.0002","27.9248","0.001","90","","92.441","0.002","90","","646.19","0.04","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Kh23Cu6mna","","","- C6 H4 Cu N O2 S -","- C6 H4 Cu N O2 S -","- C24 H16 Cu4 N4 O8 S4 -","4","1","","Hassanein, Khaled; Cappuccino, Chiara; Amo-Ochoa, Pilar; López-Molina, Jesús; Maini, Lucia; Bandini, Elisa; Ventura, Barbara","Multifunctional coordination polymers based on copper(i) and mercaptonicotinic ligands: synthesis, and structural, optical and electrical characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10545","10553","10.1039/d0dt01127d","","","0.71073","MoKα","","0.0472","0.0304","","","0.0819","0.1172","","","","","","1.043","","","","has coordinates","257534","2020-10-21","18:00:00",""
"7704919","19.4496","0.0015","11.4429","0.0009","29.881","0.002","90","","90","","90","","6650.3","0.9","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C50 H0 Mo4 O29 Ti4 -","- C50 Mo4 O29 Ti4 -","- C200 Mo16 O116 Ti16 -","4","1","","Yang, Lei; Shu, Xian-Ping; Fu, Meng-Yuan; Wang, Hao-Yu; Zhu, Qin-Yu; Dai, Jie","Molybdenum-titanium oxo-cluster, an efficient electrochemical catalyst for the facile preparation of black titanium dioxide film.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10516","10522","10.1039/d0dt01959c","","","0.71073","MoKα","","0.1142","0.0814","","","0.1695","0.201","","","","","","1.172","","","","has coordinates","257527","2020-10-21","18:00:00",""
"7704920","11.6103","0.0008","19.6212","0.0014","31.014","0.002","90","","90","","90","","7065.2","0.8","192","2","192","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H47 Br Mo2 O14 Ti2 -","- C25 H47 Br Mo2 O14 Ti2 -","- C200 H376 Br8 Mo16 O112 Ti16 -","8","1","","Yang, Lei; Shu, Xian-Ping; Fu, Meng-Yuan; Wang, Hao-Yu; Zhu, Qin-Yu; Dai, Jie","Molybdenum-titanium oxo-cluster, an efficient electrochemical catalyst for the facile preparation of black titanium dioxide film.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10516","10522","10.1039/d0dt01959c","","","0.71073","MoKα","","0.1097","0.0633","","","0.137","0.1572","","","","","","1.145","","","","has coordinates,has disorder","257527","2020-10-21","18:00:00",""
"7704921","16.582","0.002","11.7633","0.0019","19.247","0.003","90","","111.121","0.004","90","","3502.1","0.9","192","2","192","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H94 F2 Mo4 O28 Ti4 -","- C50 H94 F2 Mo4 O28 Ti4 -","- C100 H188 F4 Mo8 O56 Ti8 -","2","0.5","","Yang, Lei; Shu, Xian-Ping; Fu, Meng-Yuan; Wang, Hao-Yu; Zhu, Qin-Yu; Dai, Jie","Molybdenum-titanium oxo-cluster, an efficient electrochemical catalyst for the facile preparation of black titanium dioxide film.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10516","10522","10.1039/d0dt01959c","","","0.71073","MoKα","","0.1042","0.069","","","0.1392","0.1705","","","","","","1.04","","","","has coordinates,has disorder","257527","2020-10-21","18:00:00",""
"7704922","11.592","0.003","19.701","0.005","30.995","0.007","90","","90","","90","","7078","3","192","2","192","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H94 Cl2 Mo4 O28 Ti4 -","- C50 H92.3482 Cl2 Mo4 O28 Ti4 -","- C200 H369.393 Cl8 Mo16 O112 Ti16 -","4","0.5","","Yang, Lei; Shu, Xian-Ping; Fu, Meng-Yuan; Wang, Hao-Yu; Zhu, Qin-Yu; Dai, Jie","Molybdenum-titanium oxo-cluster, an efficient electrochemical catalyst for the facile preparation of black titanium dioxide film.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10516","10522","10.1039/d0dt01959c","","","0.71073","MoKα","","0.0944","0.0691","","","0.1513","0.181","","","","","","1.164","","","","has coordinates,has disorder","257527","2020-10-21","18:00:00",""
"7704923","15.2848","0.0007","15.2848","0.0007","56.084","0.003","90","","90","","120","","11347.2","1","193","2","193","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C36 H23 In3 N4 O12 -","- C38 H23 In3 N6 O12 -","- C342 H207 In27 N54 O108 -","9","0.25","","Zhang, Chenghui; Shi, Huaizhong; Yan, Yan; Sun, Libo; Ye, Yu; Lu, Yizhong; Liang, Zhiqiang; Li, Jiyang","A zwitterionic ligand-based water-stable metal-organic framework showing photochromic and Cr(vi) removal properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10613","10620","10.1039/c9dt04679h","","","0.71073","MoKα","","0.0285","0.0275","","","0.0793","0.0801","","","","","","1.136","","","","has coordinates,has disorder","257524","2020-10-21","18:00:00",""
"7704924","11.137","0.002","11.886","0.002","15.124","0.003","90.47","0.03","102.4","0.03","117.86","0.03","1715","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 Cd N2 O6 -","- C42 H32 Cd N2 O6 -","- C84 H64 Cd2 N4 O12 -","2","1","","Hu, Fei-Long; Qin, Zhen; Wang, Meng-Fan; Kang, Xue Wan; Qin, Yong-Li; Wang, Yong; Chen, Shu-Li; Young, David James; Mi, Yan","Modulating the regioselectivity of solid-state photodimerization in coordination polymer crystals.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10858","10865","10.1039/d0dt02038a","","","0.71073","MoKα","","0.1051","0.0673","","","0.0925","0.1047","","","","","","1.089","","","","has coordinates","256088","2020-10-21","18:00:00",""
"7704925","10.627","0.0009","11.616","0.001","15.3245","0.001","80.274","0.006","77.576","0.006","66.012","0.008","1680.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 Cd N2 O6 -","- C42 H32 Cd N2 O6 -","- C84 H64 Cd2 N4 O12 -","2","1","","Hu, Fei-Long; Qin, Zhen; Wang, Meng-Fan; Kang, Xue Wan; Qin, Yong-Li; Wang, Yong; Chen, Shu-Li; Young, David James; Mi, Yan","Modulating the regioselectivity of solid-state photodimerization in coordination polymer crystals.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10858","10865","10.1039/d0dt02038a","","","0.71073","MoKα","","0.0972","0.0561","","","0.1254","0.1391","","","","","","0.947","","","","has coordinates,has disorder","256088","2020-10-21","18:00:00",""
"7704926","7.8069","0.0006","11.1225","0.0009","14.1952","0.0012","85.643","0.007","84.3","0.007","82.732","0.007","1214.14","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 Cd N2 O7 -","- C29 H22 Cd N2 O7 -","- C58 H44 Cd2 N4 O14 -","2","1","","Hu, Fei-Long; Qin, Zhen; Wang, Meng-Fan; Kang, Xue Wan; Qin, Yong-Li; Wang, Yong; Chen, Shu-Li; Young, David James; Mi, Yan","Modulating the regioselectivity of solid-state photodimerization in coordination polymer crystals.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10858","10865","10.1039/d0dt02038a","","","0.71073","MoKα","","0.0593","0.0413","","","0.0831","0.0892","","","","","","1.066","","","","has coordinates,has disorder","256088","2020-10-21","18:00:00",""
"7704927","8.7349","0.0004","9.9047","0.0004","14.6223","0.0005","99.202","0.002","103.688","0.002","92.437","0.002","1209.06","0.09","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 N4 O6 S Zn -","- C28 H22 N4 O6 S Zn -","- C56 H44 N8 O12 S2 Zn2 -","2","1","","Hu, Fei-Long; Qin, Zhen; Wang, Meng-Fan; Kang, Xue Wan; Qin, Yong-Li; Wang, Yong; Chen, Shu-Li; Young, David James; Mi, Yan","Modulating the regioselectivity of solid-state photodimerization in coordination polymer crystals.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10858","10865","10.1039/d0dt02038a","","","0.71073","MoKα","","0.0537","0.043","","","0.1024","0.1074","","","","","","1.087","","","","has coordinates,has disorder","256088","2020-10-21","18:00:00",""
"7704928","8.7635","0.0004","9.9015","0.0005","14.6288","0.0007","99.446","0.001","103.68","0.001","92.466","0.001","1212.19","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H44 N8 O12 S2 Zn2 -","- C56 H44 N8 O12 S2 Zn2 -","- C56 H44 N8 O12 S2 Zn2 -","1","0.5","","Hu, Fei-Long; Qin, Zhen; Wang, Meng-Fan; Kang, Xue Wan; Qin, Yong-Li; Wang, Yong; Chen, Shu-Li; Young, David James; Mi, Yan","Modulating the regioselectivity of solid-state photodimerization in coordination polymer crystals.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10858","10865","10.1039/d0dt02038a","","","0.71073","MoKα","","0.0423","0.0369","","","0.0886","0.0908","","","","","","1.089","","","","has coordinates","256088","2020-10-21","18:00:00",""
"7704929","7.9063","0.0006","11.1283","0.0006","14.1644","0.0008","84.249","0.005","85.233","0.006","81.271","0.006","1222.68","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 Cd N2 O7 -","- C29 H22 Cd N2 O7 -","- C58 H44 Cd2 N4 O14 -","2","1","","Hu, Fei-Long; Qin, Zhen; Wang, Meng-Fan; Kang, Xue Wan; Qin, Yong-Li; Wang, Yong; Chen, Shu-Li; Young, David James; Mi, Yan","Modulating the regioselectivity of solid-state photodimerization in coordination polymer crystals.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10858","10865","10.1039/d0dt02038a","","","0.71073","MoKα","","0.0489","0.0364","","","0.0625","0.0683","","","","","","1.049","","","","has coordinates,has disorder","256088","2020-10-21","18:00:00",""
"7704930","10.8264","0.0004","11.7605","0.0004","12.8454","0.0004","72.985","0.001","79.216","0.001","66.578","0.001","1430.39","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Uranyl derivative","","","- C29 H25 N7 O5 U -","- C29 H25 N7 O5 U -","- C58 H50 N14 O10 U2 -","2","1","","Sethi, Sipun; Panigrahi, Rachita; Paul, Avijit Kumar; Mallik, Bhabani S.; Parhi, Purnendu; Das, Pradeep Kumar; Behera, Nabakrushna","Detailed characterization of dioxouranium(vi) complexes with a symmetrical tetradentate N<sub>2</sub>O<sub>2</sub>-benzil bis(isonicotinoyl hydrazone) ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10603","10612","10.1039/d0dt02014a","","","0.71073","MoKα","","0.0274","0.0223","","","0.0535","0.0638","","","","","","1.089","","","","has coordinates","257528","2020-10-21","18:00:00",""
"7704931","10.164","0.004","15.382","0.005","9.247","0.003","90","","106.892","0.004","90","","1383.3","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F8 K La O8 P4 -","- F8 K La O8 P4 -","- F32 K4 La4 O32 P16 -","4","1","","Zhang, Wenyao; Wei, Zhonglei; Yang, Zhihua; Pan, Shilie","Two new ammonium/alkali-rare earth metal difluorophosphates ALa(PO<sub>2</sub>F<sub>2</sub>)<sub>4</sub> (A = NH<sub>4</sub> and K) with moderate birefringence and short cutoff edges.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11591","11596","10.1039/d0dt01951h","","","0.71073","MoKα","","0.0369","0.0299","","","0.0576","0.0605","","","","","","1.011","","","","has coordinates,has disorder","256079","2020-10-21","18:00:00",""
"7704932","10.19","0.004","15.511","0.006","9.228","0.004","90","","106.583","0.005","90","","1397.9","1","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- F8 H4 La N O8 P4 -","- F8 H4 La N O8 P4 -","- F32 H16 La4 N4 O32 P16 -","4","1","","Zhang, Wenyao; Wei, Zhonglei; Yang, Zhihua; Pan, Shilie","Two new ammonium/alkali-rare earth metal difluorophosphates ALa(PO<sub>2</sub>F<sub>2</sub>)<sub>4</sub> (A = NH<sub>4</sub> and K) with moderate birefringence and short cutoff edges.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11591","11596","10.1039/d0dt01951h","","","0.71073","MoKα","","0.0351","0.0288","","","0.076","0.0793","","","","","","1.091","","","","has coordinates","256079","2020-10-21","18:00:00",""
"7704933","17.1022","0.0009","10.7274","0.0005","10.7037","0.0005","90","","90","","90","","1963.72","0.17","100","","100.03","","","","","","","","","4","P n a 21","P 2c -2n","33","","6-azaspiro[5.5]undecane cadmium dicyanamide","","- C16 H20 Cd N10 -","- C16 H20 Cd N10 -","- C64 H80 Cd4 N40 -","4","1","","Burger, Stefan; Kronawitter, Silva; Boström, Hanna L B; Zaręba, Jan K; Kieslich, Gregor","A new polar perovskite coordination network with azaspiroundecane as A-site cation.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10740","10744","10.1039/d0dt01968b","","","0.71073","MoKα","","0.0175","0.0153","","","0.0355","0.0377","","","","","","1.125","","","","has coordinates","256092","2020-10-21","18:00:00",""
"7704934","14.0464","0.0008","5.0318","0.0003","14.1297","0.0008","90","","92.811","0.003","90","","997.47","0.1","300","2","300","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- Ba F4 O2 W -","- Ba F4 O2 W -","- Ba8 F32 O16 W8 -","8","2","","Ayer, Gyanendra B.; Klepov, Vladislav V.; Smith, Mark D.; Hu, Ming; Yang, Zhonghua; Martin, Corey R.; Morrison, Gregory; Zur Loye, Hans-Conrad","BaWO<sub>2</sub>F<sub>4</sub>: a mixed anion X-ray scintillator with excellent photoluminescence quantum efficiency.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10734","10739","10.1039/d0dt02184a","","","0.71073","MoKα","","0.0393","0.0298","","","0.0657","0.0694","","","","","","1.092","","","","has coordinates","256097","2020-10-21","18:00:00",""
"7704935","18.495","0.005","18.495","0.005","17.89","0.006","90","","90","","90","","6120","3","193","2","193","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C28 H32 Mn N3 O6 -","- C28 H32 Mn N3 O6 -","- C224 H256 Mn8 N24 O48 -","8","1","","Srinivasan, Anandi; Campos, Jesús; Giraud, Nicolas; Robert, Marc; Rivada-Wheelaghan, Orestes","Mn<sup>I</sup> complex redox potential tunability by remote lewis acid interaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16623","16626","10.1039/d0dt02467h","","","0.71073","MoKα","","0.1152","0.0709","","","0.1593","0.1881","","","","","","1.042","","","","has coordinates","260747","2021-01-07","06:17:30",""
"7704936","11.8969","0.0002","14.055","0.0003","24.9163","0.0005","90","","97.173","0.007","90","","4133.67","0.15","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H42 Cl8 N2 O3 Ru -","- C35 H42 Cl8 N2 O3 Ru -","- C140 H168 Cl32 N8 O12 Ru4 -","4","1","","Jatmika, Catur; Goshima, Kenta; Wakabayashi, Kazumo; Akiyama, Naoki; Hirota, Shun; Matsuo, Takashi","Second-coordination sphere effects on the reactivities of Hoveyda-Grubbs-type catalysts: a ligand exchange study using phenolic moiety-functionalized ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11618","11627","10.1039/d0dt02353a","","","0.71075","MoKα","","0.0395","0.0379","","","0.0988","0.1","","","","","","1.107","","","","has coordinates","256076","2020-10-21","18:00:00",""
"7704937","25.8626","0.0005","25.8626","0.0005","10.8856","0.0002","90","","90","","90","","7281.1","0.2","123","","123","","","","","","","","","6","I -4","I -4","82","","","","- C32 H39 Cl5 N2 O Ru -","- C32 H39 Cl5 N2 O Ru -","- C256 H312 Cl40 N16 O8 Ru8 -","8","1","","Jatmika, Catur; Goshima, Kenta; Wakabayashi, Kazumo; Akiyama, Naoki; Hirota, Shun; Matsuo, Takashi","Second-coordination sphere effects on the reactivities of Hoveyda-Grubbs-type catalysts: a ligand exchange study using phenolic moiety-functionalized ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11618","11627","10.1039/d0dt02353a","","","0.71075","MoKα","","0.0181","0.018","","","0.0483","0.0483","","","","","","1.111","","","","has coordinates","256076","2020-10-21","18:00:00",""
"7704938","10.61291","0.00019","15.0273","0.0003","19.3543","0.0004","90","","92.572","0.007","90","","3083.58","0.11","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 Cl2 N2 O3 Ru -","- C32 H38 Cl2 N2 O3 Ru -","- C128 H152 Cl8 N8 O12 Ru4 -","4","1","","Jatmika, Catur; Goshima, Kenta; Wakabayashi, Kazumo; Akiyama, Naoki; Hirota, Shun; Matsuo, Takashi","Second-coordination sphere effects on the reactivities of Hoveyda-Grubbs-type catalysts: a ligand exchange study using phenolic moiety-functionalized ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11618","11627","10.1039/d0dt02353a","","","0.71075","MoKα","","0.0297","0.0266","","","0.0667","0.068","","","","","","1.132","","","","has coordinates","256076","2020-10-21","18:00:00",""
"7704939","11.1473","0.0002","13.3189","0.0002","24.8255","0.0005","90","","96.698","0.007","90","","3660.68","0.12","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 Cl5 N3 O2 Ru -","- C34 H42 Cl5 N3 O2 Ru -","- C136 H168 Cl20 N12 O8 Ru4 -","4","1","","Jatmika, Catur; Goshima, Kenta; Wakabayashi, Kazumo; Akiyama, Naoki; Hirota, Shun; Matsuo, Takashi","Second-coordination sphere effects on the reactivities of Hoveyda-Grubbs-type catalysts: a ligand exchange study using phenolic moiety-functionalized ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11618","11627","10.1039/d0dt02353a","","","0.71075","MoKα","","0.0474","0.0407","","","0.0914","0.0964","","","","","","1.053","","","","has coordinates","256076","2020-10-21","18:00:00",""
"7704940","11.5321","0.0002","14.4899","0.0003","21.9677","0.0004","90","","97.797","0.007","90","","3636.84","0.13","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 Cl5 N3 O2 Ru -","- C33 H40 Cl5 N3 O2 Ru -","- C132 H160 Cl20 N12 O8 Ru4 -","4","1","","Jatmika, Catur; Goshima, Kenta; Wakabayashi, Kazumo; Akiyama, Naoki; Hirota, Shun; Matsuo, Takashi","Second-coordination sphere effects on the reactivities of Hoveyda-Grubbs-type catalysts: a ligand exchange study using phenolic moiety-functionalized ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11618","11627","10.1039/d0dt02353a","","","0.71075","MoKα","","0.0307","0.0292","","","0.0735","0.0745","","","","","","1.09","","","","has coordinates,has disorder","256076","2020-10-21","18:00:00",""
"7704941","14.2563","0.0007","14.5337","0.0008","16.3077","0.0009","74.841","0.002","89.676","0.002","61.641","0.002","2841.8","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H66 F4 Gd N5 O15 S -","- C50 H66 F4 Gd N5 O15 S -","- C100 H132 F8 Gd2 N10 O30 S2 -","2","1","","Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; Marques, Lippy F.; Dos Santos, Guilherme L.; Freire, Ricardo O.; Jesus, Larissa T.; Pedroso, Emerson F.; Nunes, Wallace C.; Julve, Miguel; Pereira, Cynthia L. M.","Mononuclear lanthanide(III)-oxamate complexes as new photoluminescent field-induced single-molecule magnets: solid-state photophysical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16106","16124","10.1039/d0dt02497j","","","0.71073","MoKα","","0.0425","0.0376","","","0.103","0.1075","","","","","","1.052","","","","has coordinates","260782","2021-01-07","06:29:40",""
"7704942","14.0412","0.0006","26.3866","0.0011","16.2993","0.0006","90","","90.57","0.003","90","","6038.6","0.4","250","2","250","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H62 Cl4 Eu N5 O16 S -","- C50 H68 Cl4 Eu N5 O16 S -","- C200 H272 Cl16 Eu4 N20 O64 S4 -","4","1","","Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; Marques, Lippy F.; Dos Santos, Guilherme L.; Freire, Ricardo O.; Jesus, Larissa T.; Pedroso, Emerson F.; Nunes, Wallace C.; Julve, Miguel; Pereira, Cynthia L. M.","Mononuclear lanthanide(III)-oxamate complexes as new photoluminescent field-induced single-molecule magnets: solid-state photophysical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16106","16124","10.1039/d0dt02497j","","","0.71073","MoKα","","0.0748","0.0407","","","0.0826","0.1015","","","","","","1.091","","","","has coordinates,has disorder","260782","2021-01-07","06:29:50",""
"7704943","14.259","0.002","14.542","0.002","16.277","0.003","74.901","0.007","89.893","0.007","61.587","0.007","2836.3","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H66 F4 N5 O15 S Tb -","- C50 H66 F4 N5 O15 S Tb -","- C100 H132 F8 N10 O30 S2 Tb2 -","2","1","","Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; Marques, Lippy F.; Dos Santos, Guilherme L.; Freire, Ricardo O.; Jesus, Larissa T.; Pedroso, Emerson F.; Nunes, Wallace C.; Julve, Miguel; Pereira, Cynthia L. M.","Mononuclear lanthanide(III)-oxamate complexes as new photoluminescent field-induced single-molecule magnets: solid-state photophysical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16106","16124","10.1039/d0dt02497j","","","0.71073","MoKα","","0.0326","0.0299","","","0.0822","0.0853","","","","","","1.056","","","","has coordinates","260782","2021-01-07","06:29:50",""
"7704944","14.1427","0.0006","26.4518","0.001","16.2848","0.0006","90","","90.531","0.003","90","","6091.9","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H68 Cl4 Gd N5 O16 S -","- C50 H68 Cl4 Gd N5 O16 S -","- C200 H272 Cl16 Gd4 N20 O64 S4 -","4","1","","Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; Marques, Lippy F.; Dos Santos, Guilherme L.; Freire, Ricardo O.; Jesus, Larissa T.; Pedroso, Emerson F.; Nunes, Wallace C.; Julve, Miguel; Pereira, Cynthia L. M.","Mononuclear lanthanide(III)-oxamate complexes as new photoluminescent field-induced single-molecule magnets: solid-state photophysical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16106","16124","10.1039/d0dt02497j","","","1.54178","CuKα","","0.0661","0.0477","","","0.1206","0.1319","","","","","","1.022","","","","has coordinates,has disorder","260782","2021-01-07","06:29:50",""
"7704945","14.0648","0.0004","26.3669","0.0008","16.2078","0.0004","90","","90.377","0.003","90","","6010.5","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H68 Cl4 Dy N5 O16 S -","- C50 H68 Cl4 Dy N5 O16 S -","- C200 H272 Cl16 Dy4 N20 O64 S4 -","4","1","","Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; Marques, Lippy F.; Dos Santos, Guilherme L.; Freire, Ricardo O.; Jesus, Larissa T.; Pedroso, Emerson F.; Nunes, Wallace C.; Julve, Miguel; Pereira, Cynthia L. M.","Mononuclear lanthanide(III)-oxamate complexes as new photoluminescent field-induced single-molecule magnets: solid-state photophysical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16106","16124","10.1039/d0dt02497j","","","0.71073","MoKα","","0.0835","0.0478","","","0.0936","0.117","","","","","","1.154","","","","has coordinates,has disorder","260782","2021-01-07","06:29:50",""
"7704946","14.2518","0.001","14.5549","0.0009","16.2386","0.0008","74.932","0.005","89.752","0.005","61.685","0.007","2835.3","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H66 Eu F4 N5 O15 S -","- C50 H66 Eu F4 N5 O15 S -","- C100 H132 Eu2 F8 N10 O30 S2 -","2","1","","Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; Marques, Lippy F.; Dos Santos, Guilherme L.; Freire, Ricardo O.; Jesus, Larissa T.; Pedroso, Emerson F.; Nunes, Wallace C.; Julve, Miguel; Pereira, Cynthia L. M.","Mononuclear lanthanide(III)-oxamate complexes as new photoluminescent field-induced single-molecule magnets: solid-state photophysical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16106","16124","10.1039/d0dt02497j","","","0.71073","MoKα","","0.0802","0.053","","","0.1264","0.1488","","","","","","1.079","","","","has coordinates","260782","2021-01-07","06:29:50",""
"7704947","14.0302","0.0002","26.3753","0.0004","16.2526","0.0002","90","","90.374","0.001","90","","6014.16","0.15","250","2","250","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H68 Cl4 N5 O16 S Tb -","- C50 H68 Cl4 N5 O16 S Tb -","- C200 H272 Cl16 N20 O64 S4 Tb4 -","4","1","","Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; Marques, Lippy F.; Dos Santos, Guilherme L.; Freire, Ricardo O.; Jesus, Larissa T.; Pedroso, Emerson F.; Nunes, Wallace C.; Julve, Miguel; Pereira, Cynthia L. M.","Mononuclear lanthanide(III)-oxamate complexes as new photoluminescent field-induced single-molecule magnets: solid-state photophysical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16106","16124","10.1039/d0dt02497j","","","0.71073","MoKα","","0.0414","0.0301","","","0.0636","0.0724","","","","","","1.141","","","","has coordinates,has disorder","260782","2021-01-07","06:29:50",""
"7704948","14.2143","0.0005","14.5314","0.0006","16.1788","0.0005","74.941","0.003","89.817","0.003","61.784","0.004","2815.3","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H66 Dy F4 N5 O15 S -","- C50 H66 Dy F4 N5 O15 S -","- C100 H132 Dy2 F8 N10 O30 S2 -","2","1","","Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; Marques, Lippy F.; Dos Santos, Guilherme L.; Freire, Ricardo O.; Jesus, Larissa T.; Pedroso, Emerson F.; Nunes, Wallace C.; Julve, Miguel; Pereira, Cynthia L. M.","Mononuclear lanthanide(III)-oxamate complexes as new photoluminescent field-induced single-molecule magnets: solid-state photophysical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16106","16124","10.1039/d0dt02497j","","","0.71073","MoKα","","0.0562","0.0428","","","0.1033","0.1231","","","","","","1.19","","","","has coordinates,has disorder","260782","2021-01-07","06:29:50",""
"7704949","8.1345","0.0003","10.9351","0.0004","13.7618","0.0005","109.328","0.002","104.605","0.002","98.266","0.002","1082.65","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 F12 N6 P2 -","- C14 H18 F12 N6 P2 -","- C28 H36 F24 N12 P4 -","2","1","","Singh, Vivek Kumar; Donthireddy, S. N. R.; Illam, Praseetha Mathoor; Rit, Arnab","Transition metal complexes of a bis(carbene) ligand featuring 1,2,4-triazolin-5-ylidene donors: structural diversity and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11958","11970","10.1039/d0dt02142c","","","0.71073","MoKα","","0.0926","0.0681","","","0.1779","0.2016","","","","","","1.055","","","","has coordinates,has disorder","256113","2020-10-21","18:00:00",""
"7704950","8.986","0.002","16.241","0.004","14.337","0.003","90","","106.984","0.01","90","","2001.1","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Cu2 F12 N12 P2 -","- C28 H32 Cu2 F12 N12 P2 -","- C56 H64 Cu4 F24 N24 P4 -","2","0.5","","Singh, Vivek Kumar; Donthireddy, S. N. R.; Illam, Praseetha Mathoor; Rit, Arnab","Transition metal complexes of a bis(carbene) ligand featuring 1,2,4-triazolin-5-ylidene donors: structural diversity and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11958","11970","10.1039/d0dt02142c","","","0.71073","MoKα","","0.1386","0.0931","","","0.2716","0.3103","","","","","","0.916","","","","has coordinates","256113","2020-10-21","18:00:00",""
"7704951","9.5672","0.0004","16.3601","0.0007","14.212","0.0006","90","","108.632","0.002","90","","2107.88","0.16","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Ag2 F12 N12 P2 -","- C28 H32 Ag2 F12 N12 P2 -","- C56 H64 Ag4 F24 N24 P4 -","2","0.5","","Singh, Vivek Kumar; Donthireddy, S. N. R.; Illam, Praseetha Mathoor; Rit, Arnab","Transition metal complexes of a bis(carbene) ligand featuring 1,2,4-triazolin-5-ylidene donors: structural diversity and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11958","11970","10.1039/d0dt02142c","","","0.71073","MoKα","","0.0367","0.0283","","","0.0725","0.0781","","","","","","1.038","","","","has coordinates,has disorder","256113","2020-10-21","18:00:00",""
"7704952","18.0475","0.0006","18.9017","0.0007","23.8803","0.0009","77.667","0.001","77.973","0.002","89.973","0.002","7775.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H44 Br2 Ir2 N6 -","- C34 H44 Br2 Ir2 N6 -","- C272 H352 Br16 Ir16 N48 -","8","4","","Singh, Vivek Kumar; Donthireddy, S. N. R.; Illam, Praseetha Mathoor; Rit, Arnab","Transition metal complexes of a bis(carbene) ligand featuring 1,2,4-triazolin-5-ylidene donors: structural diversity and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11958","11970","10.1039/d0dt02142c","","","0.71073","MoKα","","0.1592","0.0586","","","0.1186","0.1504","","","","","","1.013","","","","has coordinates","256113","2020-10-21","18:00:00",""
"7704953","6.458","0.002","8.338","0.003","9.273","0.003","111.512","0.009","103.895","0.011","102.032","0.01","425.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- B3 Ba2 Cd O9 Sc -","- B3 Ba2 Cd O9 Sc -","- B6 Ba4 Cd2 O18 Sc2 -","2","1","","Liu, Runqing; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Synthesis and characterization of three new rare-earth orthoborates: Ba<sub>2</sub>MgY<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub>, Ba<sub>2</sub>CdY<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub>, and Ba<sub>2</sub>CdSc(BO<sub>3</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10874","10879","10.1039/d0dt01799j","","","0.71073","MoKα","","0.0167","0.0153","","","0.0382","0.0388","","","","","","1.098","","","","has coordinates","256100","2020-10-21","18:00:00",""
"7704954","12.702","0.002","13.673","0.002","6.421","0.0011","90","","94.932","0.006","90","","1111","0.3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B8 Ba4 Cd2 O24 Y4 -","- B8 Ba4 Cd2 O24 Y4 -","- B16 Ba8 Cd4 O48 Y8 -","2","0.5","","Liu, Runqing; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Synthesis and characterization of three new rare-earth orthoborates: Ba<sub>2</sub>MgY<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub>, Ba<sub>2</sub>CdY<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub>, and Ba<sub>2</sub>CdSc(BO<sub>3</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10874","10879","10.1039/d0dt01799j","","","0.71073","MoKα","","0.0648","0.0483","","","0.1168","0.1235","","","","","","1.1","","","","has coordinates","256100","2020-10-21","18:00:00",""
"7704955","12.8053","0.0012","13.6581","0.0015","6.2287","0.0007","90","","98.634","0.004","90","","1077","0.2","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B8 Ba4 Mg2 O24 Y4 -","- B8 Ba4 Mg2 O24 Y4 -","- B16 Ba8 Mg4 O48 Y8 -","2","0.5","","Liu, Runqing; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Synthesis and characterization of three new rare-earth orthoborates: Ba<sub>2</sub>MgY<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub>, Ba<sub>2</sub>CdY<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub>, and Ba<sub>2</sub>CdSc(BO<sub>3</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10874","10879","10.1039/d0dt01799j","","","0.71073","MoKα","","0.057","0.0472","","","0.129","0.1342","","","","","","1.097","","","","has coordinates","256100","2020-10-21","18:00:00",""
"7704956","14.6466","0.0003","33.1024","0.0007","20.4799","0.0004","90","","110.101","0.002","90","","9324.6","0.4","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C95 H102 Cl8 Eu2 N4 O13 -","- C95 H102 Cl8 Eu2 N4 O13 -","- C380 H408 Cl32 Eu8 N16 O52 -","4","1","","Ullmann, Steve; Hahn, Peter; Mini, Parvathy; Tuck, Kellie L.; Kahnt, Axel; Abel, Bernd; Gutierrez Suburu, Matias E.; Strassert, Cristian A.; Kersting, Berthold","Mixed-ligand lanthanide complexes supported by ditopic bis(imino-methyl)-phenol/calix[4]arene macrocycles: synthesis, structures, and luminescence properties of [Ln<sub>2</sub>(L<sup>2</sup>)(MeOH)<sub>2</sub>] (Ln = La, Eu, Tb, Yb).","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11179","11191","10.1039/d0dt02303e","","","1.54186","CuKα","","0.0714","0.0433","","","0.0995","0.1052","","","","","","0.817","","","","has coordinates","256056","2020-10-21","18:00:00",""
"7704957","14.5534","0.0003","33.1629","0.0006","20.453","0.0004","90","","108.277","0.002","90","","9373.3","0.3","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C89 H88 N4 O13 Tb2 -","- C89 H88 N4 O13 Tb2 -","- C356 H352 N16 O52 Tb8 -","4","1","","Ullmann, Steve; Hahn, Peter; Mini, Parvathy; Tuck, Kellie L.; Kahnt, Axel; Abel, Bernd; Gutierrez Suburu, Matias E.; Strassert, Cristian A.; Kersting, Berthold","Mixed-ligand lanthanide complexes supported by ditopic bis(imino-methyl)-phenol/calix[4]arene macrocycles: synthesis, structures, and luminescence properties of [Ln<sub>2</sub>(L<sup>2</sup>)(MeOH)<sub>2</sub>] (Ln = La, Eu, Tb, Yb).","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11179","11191","10.1039/d0dt02303e","","","1.54186","CuKα","","0.0484","0.0406","","","0.1127","0.1172","","","","","","0.939","","","","has coordinates","256056","2020-10-21","18:00:00",""
"7704958","15.767","0.004","26.561","0.006","7.38","0.002","90","","91.264","0.006","90","","3089.9","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H59 F N10 O40 Si18 -","- C45 H59 F N10 O40 Si18 -","- C90 H118 F2 N20 O80 Si36 -","2","0.25","","Zi, Wen-Wen; Zhang, Jun; Cai, Xian-Shu; Jiao, Feng; Du, Hong-Bin","Synthesis and characterization of a layered aluminosilicate NUD-11 and its transformation to a 3D stable zeolite.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11682","11688","10.1039/d0dt02449j","","","0.71073","MoKα","","0.1889","0.0923","","","0.2111","0.2606","","","","","","1.018","","","","has coordinates,has disorder","256081","2020-10-21","18:00:00",""
"7704959","9.9663","0.0014","9.9663","0.0014","9.938","0.002","90","","90","","120","","854.9","0.2","293","2","295","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Au3 La1.82 Mg14.36 -","- Au3 La1.818 Mg14.364 -","- Au6 La3.636 Mg28.728 -","2","0.0833333","","Freccero, R.; De Negri, S.; Saccone, A.; Solokha, P.","Solid state interactions in the La-Au-Mg system: phase equilibria, novel compounds and chemical bonding.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12056","12067","10.1039/d0dt02359k","","","0.71073","MoKα","","0.0276","0.0204","","","0.0528","0.0566","","","","","","1.087","","","","has coordinates,has disorder","256103","2020-10-21","18:00:00",""
"7704960","4.527","0.0009","10.633","0.002","8.1096","0.0016","90","","90","","90","","390.36","0.13","293","2","295","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Au La Mg2 -","- Au La Mg2 -","- Au4 La4 Mg8 -","4","0.25","","Freccero, R.; De Negri, S.; Saccone, A.; Solokha, P.","Solid state interactions in the La-Au-Mg system: phase equilibria, novel compounds and chemical bonding.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12056","12067","10.1039/d0dt02359k","","","0.71073","MoKα","","0.0187","0.0178","","","0.0419","0.0422","","","","","","1.058","","","","has coordinates","256103","2020-10-21","18:00:00",""
"7704961","7.7976","0.0011","7.7976","0.0011","4.2547","0.0009","90","","90","","120","","224.04","0.07","293","2","295","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Au La Mg -","- Au La Mg -","- Au3 La3 Mg3 -","3","0.25","","Freccero, R.; De Negri, S.; Saccone, A.; Solokha, P.","Solid state interactions in the La-Au-Mg system: phase equilibria, novel compounds and chemical bonding.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12056","12067","10.1039/d0dt02359k","","","0.71073","MoKα","","0.0142","0.0139","","","0.0276","0.0278","","","","","","0.962","","","","has coordinates","256103","2020-10-21","18:00:00",""
"7704962","9.8073","0.0004","9.8073","0.0004","10.4276","0.0005","90","","90","","120","","868.59","0.07","293","2","295","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Au3.25 La3 Mg12.75 -","- Au3.235 La3 Mg12.765 -","- Au6.47 La6 Mg25.53 -","2","0.0833333","","Freccero, R.; De Negri, S.; Saccone, A.; Solokha, P.","Solid state interactions in the La-Au-Mg system: phase equilibria, novel compounds and chemical bonding.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12056","12067","10.1039/d0dt02359k","","","0.71073","MoKα","","0.0165","0.0139","","","0.0431","0.0444","","","","","","1.082","","","","has coordinates","256103","2020-10-21","18:00:00",""
"7704963","9.8906","0.0014","10.6441","0.0015","13.108","0.002","86.361","0.005","87.662","0.005","73.88","0.005","1322.6","0.3","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","rd36mn49","","- C18 H15 Au Cl10 N3 Tl -","- C18 H15 Au Cl10 N3 Tl -","- C36 H30 Au2 Cl20 N6 Tl2 -","2","1","","Donamaría, Rocío; Lippolis, Vito; López-de-Luzuriaga, José M; Monge, Miguel; Nieddu, Mattia; Olmos, M. Elena","Metallophilic Au(i)M(i) interactions (M = Tl, Ag) in heteronuclear complexes with 1,4,7-triazacyclononane: structural features and optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10983","10993","10.1039/d0dt01902j","","x-ray","0.71073","MoKα","","0.0907","0.0481","","","0.1026","0.1201","","","","","","0.999","","","","has coordinates","256095","2020-10-21","18:00:00",""
"7704964","8.9202","0.0007","11.8246","0.0008","13.9123","0.0011","107.085","0.002","100.045","0.003","106.406","0.002","1291.47","0.17","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Ag Au Cl10 N3 -","- C18 H15 Ag Au Cl10 N3 -","- C36 H30 Ag2 Au2 Cl20 N6 -","2","1","","Donamaría, Rocío; Lippolis, Vito; López-de-Luzuriaga, José M; Monge, Miguel; Nieddu, Mattia; Olmos, M. Elena","Metallophilic Au(i)M(i) interactions (M = Tl, Ag) in heteronuclear complexes with 1,4,7-triazacyclononane: structural features and optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10983","10993","10.1039/d0dt01902j","","x-ray","0.71073","MoKα","","0.0441","0.0308","","","0.0632","0.0682","","","","","","1.028","","","","has coordinates","256095","2020-10-21","18:00:00",""
"7704965","23.744","0.003","8.6609","0.001","20.843","0.003","90","","109.049","0.005","90","","4051.5","0.9","101","2","101","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 Ag Au F10 N3 -","- C18 H15 Ag Au F10 N3 -","- C144 H120 Ag8 Au8 F80 N24 -","8","1","","Donamaría, Rocío; Lippolis, Vito; López-de-Luzuriaga, José M; Monge, Miguel; Nieddu, Mattia; Olmos, M. Elena","Metallophilic Au(i)M(i) interactions (M = Tl, Ag) in heteronuclear complexes with 1,4,7-triazacyclononane: structural features and optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10983","10993","10.1039/d0dt01902j","","x-ray","0.71073","MoKα","","0.1195","0.0576","","","0.0705","0.0826","","","","","","1.026","","","","has coordinates","256095","2020-10-21","18:00:00",""
"7704966","13.0352","0.0006","23.0649","0.0012","19.3728","0.0012","90","","102.726","0.002","90","","5681.5","0.5","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H85 Ba N3 O Si2 -","- C57 H85 Ba N3 O Si2 -","- C228 H340 Ba4 N12 O4 Si8 -","4","1","","Chapple, Peter M.; Cordier, Marie; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","A versatile nitrogen ligand for alkaline-earth chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11878","11889","10.1039/d0dt02236e","","x-ray","0.71073","MoKα","","0.0573","0.0465","","","0.1244","0.1316","","","","","","1.047","","","","has coordinates,has disorder","256118","2020-10-21","18:00:00",""
"7704967","15.3319","0.0012","23.6745","0.0016","16.1784","0.001","90","","98.631","0.003","90","","5805.9","0.7","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C53.5 H79.5 Ca N4 Si2 -","- C52 H76 Ca N4 Si2 -","- C208 H304 Ca4 N16 Si8 -","4","1","","Chapple, Peter M.; Cordier, Marie; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","A versatile nitrogen ligand for alkaline-earth chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11878","11889","10.1039/d0dt02236e","","x-ray","0.71073","MoKα","","0.0641","0.0466","","","0.1186","0.131","","","","","","1.016","","","","has coordinates,has disorder","256118","2020-10-21","18:00:00",""
"7704968","13.0429","0.0004","22.7081","0.0013","19.0827","0.0007","90","","101.979","0.003","90","","5528.8","0.4","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H80 Ba N4 O Si2 -","- C54 H80 Ba N4 O Si2 -","- C216 H320 Ba4 N16 O4 Si8 -","4","1","","Chapple, Peter M.; Cordier, Marie; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","A versatile nitrogen ligand for alkaline-earth chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11878","11889","10.1039/d0dt02236e","","x-ray","0.71073","MoKα","","0.0424","0.0338","","","0.078","0.0821","","","","","","1.037","","","","has coordinates,has disorder","256118","2020-10-21","18:00:00",""
"7704969","13.2187","0.0009","26.1942","0.0016","13.5257","0.001","90","","109.095","0.003","90","","4425.6","0.5","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H67 Mg N3 -","- C50 H67 Mg N3 -","- C200 H268 Mg4 N12 -","4","1","","Chapple, Peter M.; Cordier, Marie; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","A versatile nitrogen ligand for alkaline-earth chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11878","11889","10.1039/d0dt02236e","","x-ray","0.71073","MoKα","","0.1286","0.0678","","","0.1461","0.1762","","","","","","1.041","","","","has coordinates,has disorder","256118","2020-10-21","18:00:00",""
"7704970","13.4812","0.0004","18.9373","0.0007","22.0367","0.0008","90","","100.342","0.001","90","","5534.5","0.3","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H82 Ba N4 O Si2 -","- C54 H82.0008 Ba N4 O Si2 -","- C216 H328.003 Ba4 N16 O4 Si8 -","4","1","","Chapple, Peter M.; Cordier, Marie; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","A versatile nitrogen ligand for alkaline-earth chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11878","11889","10.1039/d0dt02236e","","x-ray","0.71073","MoKα","","0.0661","0.0511","","","0.1247","0.1334","","","","","","1.058","","","","has coordinates,has disorder","256118","2020-10-21","18:00:00",""
"7704971","13.0735","0.0018","20.434","0.002","25.973","0.003","90","","91.784","0.005","90","","6935.2","1.4","150","","150","","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C62.15 H100 Ca N3 O1.35 Si3 Sn -","- C59 H93 Ca N3 O Si3 Sn -","- C236 H372 Ca4 N12 O4 Si12 Sn4 -","4","1","","Chapple, Peter M.; Cordier, Marie; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","A versatile nitrogen ligand for alkaline-earth chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11878","11889","10.1039/d0dt02236e","","x-ray","0.71073","MoKα","","0.0913","0.0563","","","0.1304","0.1493","","","","","","1.005","","","","has coordinates,has disorder","256118","2020-10-21","18:00:00",""
"7704972","27.1903","0.0005","27.1903","","15.5907","0.0007","90","","90","","90","","11526.4","0.6","150","","150","","","","","","","","synthesis as described","6","I -4","I -4","82","","","","- C62 H78 Ca I N3 O -","- C62 H78 Ca I N3 O -","- C496 H624 Ca8 I8 N24 O8 -","8","1","","Chapple, Peter M.; Cordier, Marie; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","A versatile nitrogen ligand for alkaline-earth chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11878","11889","10.1039/d0dt02236e","","x-ray","0.71073","MoKα","","0.0434","0.0346","","","0.0808","0.0855","","","","","","1.008","","","","has coordinates,has disorder","256118","2020-10-21","18:00:00",""
"7704973","13.1266","0.0012","22.5176","0.0016","19.2806","0.0017","90","","103.089","0.003","90","","5550.9","0.8","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H85 Ca N3 O Si2 -","- C57 H85 Ca N3 O Si2 -","- C228 H340 Ca4 N12 O4 Si8 -","4","1","","Chapple, Peter M.; Cordier, Marie; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","A versatile nitrogen ligand for alkaline-earth chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11878","11889","10.1039/d0dt02236e","","x-ray","0.71073","MoKα","","0.1078","0.0659","","","0.1434","0.1652","","","","","","0.973","","","","has coordinates,has disorder","256118","2020-10-21","18:00:00",""
"7704974","13.0335","0.0016","22.924","0.003","19.431","0.002","90","","102.726","0.004","90","","5663","1.2","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H84 Ba N4 O Si2 -","- C56 H84 Ba N4 O Si2 -","- C224 H336 Ba4 N16 O4 Si8 -","4","1","","Chapple, Peter M.; Cordier, Marie; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","A versatile nitrogen ligand for alkaline-earth chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11878","11889","10.1039/d0dt02236e","","x-ray","0.71073","MoKα","","0.073","0.0445","","","0.1125","0.1307","","","","","","1.051","","","","has coordinates,has disorder","256118","2020-10-21","18:00:00",""
"7704975","13.044","0.0009","22.7363","0.0015","19.2821","0.0013","90","","103.267","0.003","90","","5565.9","0.7","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H84 N4 O Si2 Sr -","- C56 H84 N4 O Si2 Sr -","- C224 H336 N16 O4 Si8 Sr4 -","4","1","","Chapple, Peter M.; Cordier, Marie; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","A versatile nitrogen ligand for alkaline-earth chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11878","11889","10.1039/d0dt02236e","","x-ray","0.71073","MoKα","","0.0598","0.0412","","","0.0961","0.1081","","","","","","0.946","","","","has coordinates,has disorder","256118","2020-10-21","18:00:00",""
"7704976","10.1976","0.0006","15.64","0.0009","19.3361","0.0012","94.2377","0.0013","101.192","0.0013","95.8294","0.0013","2995.8","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H25 Br N Ni O P -","- C19 H25 Br N Ni O P -","- C114 H150 Br6 N6 Ni6 O6 P6 -","6","3","","Segizbayev, Medet; Öztopçu, Özgür; Hayrapetyan, Davit; Shakhman, Dinmukhamed; Lyssenko, Konstantin A.; Khalimon, Andrey Y.","Transfer hydrogenation of aldehydes and ketones catalyzed using an aminophosphinite POCN<sup>H</sup> pincer complex of Ni(ii).","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11950","11957","10.1039/d0dt02264k","","","0.71073","MoKα","","0.0724","0.0401","","","0.086","0.0976","","","","","","0.989","","","","has coordinates","256106","2020-10-21","18:00:00",""
"7704977","14.2411","0.0003","23.1001","0.0005","20.8633","0.0004","90","","100.671","0.0011","90","","6744.7","0.2","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C71 H55 B2 F15 N O2 P -","- C71 H55 B2 F15 N O2 P -","- C284 H220 B8 F60 N4 O8 P4 -","4","1","","Lee, Young Hoon; Nam, Eun Bi; Lee, Junseong; Lee, Sang Uck; Lee, Min Hyung","Frustrated Lewis pairs with thermally activated delayed fluorescence properties: activation of formaldehyde.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13198","13201","10.1039/d0dt02507k","","","0.71073","MoKα","","0.09","0.0688","","","0.2045","0.2237","","","","","","1.024","","","","has coordinates,has disorder","258862","2020-11-06","12:22:44",""
"7704978","10.1721","0.0005","12.2241","0.0006","14.7284","0.0007","90.6109","0.0011","103.374","0.0011","99.2242","0.0013","1756.52","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H36 B2 Cu2 F8 N3 P3 -","- C27 H36 B2 Cu2 F8 N3 P3 -","- C54 H72 B4 Cu4 F16 N6 P6 -","2","1","","Shamsieva, Aliia V.; Musina, Elvira I.; Gerasimova, Tatiana P.; Strelnik, Igor D.; Strelnik, Anna G.; Kolesnikov, Ilya E.; Kalinichev, Alexey A.; Islamov, Daut R.; Samigullina, Aida I.; Lönnecke, Peter; Katsyuba, Sergey A.; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Triple-bridged helical binuclear copper(i) complexes: Head-to-head and head-to-tail isomerism and the solid-state luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11997","12008","10.1039/d0dt01843k","","x-ray","0.71073","MoKα","","0.0428","0.0293","","","0.066","0.0705","","","","","","1.031","","","","has coordinates,has disorder","256102","2020-10-21","18:00:00",""
"7704979","14.598","0.002","17.269","0.002","31.38","0.004","90","","100.502","0.006","90","","7778.2","1.7","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H44 B2 Cl2 Cu2 F8 N3 P3 -","- C31 H44 B2 Cl2 Cu2 F8 N3 P3 -","- C248 H352 B16 Cl16 Cu16 F64 N24 P24 -","8","2","","Shamsieva, Aliia V.; Musina, Elvira I.; Gerasimova, Tatiana P.; Strelnik, Igor D.; Strelnik, Anna G.; Kolesnikov, Ilya E.; Kalinichev, Alexey A.; Islamov, Daut R.; Samigullina, Aida I.; Lönnecke, Peter; Katsyuba, Sergey A.; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Triple-bridged helical binuclear copper(i) complexes: Head-to-head and head-to-tail isomerism and the solid-state luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11997","12008","10.1039/d0dt01843k","","x-ray","0.71073","MoKα","","0.1178","0.0612","","","0.1414","0.1758","","","","","","1.085","","","","has coordinates,has disorder","256102","2020-10-21","18:00:00",""
"7704980","14.2957","0.0002","14.2957","0.0002","17.8833","0.0002","90","","90","","120","","3165.11","0.07","130","2","130","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C27 H42 Br0.18 Cl1.82 Cu2 N3 O3 P3 -","- C27 H42.0001 Br0.181 Cl1.8189 Cu2 N3 O3.0001 P3 -","- C108 H168 Br0.724 Cl7.2756 Cu8 N12 O12.0004 P12 -","4","0.333333","","Shamsieva, Aliia V.; Musina, Elvira I.; Gerasimova, Tatiana P.; Strelnik, Igor D.; Strelnik, Anna G.; Kolesnikov, Ilya E.; Kalinichev, Alexey A.; Islamov, Daut R.; Samigullina, Aida I.; Lönnecke, Peter; Katsyuba, Sergey A.; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Triple-bridged helical binuclear copper(i) complexes: Head-to-head and head-to-tail isomerism and the solid-state luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11997","12008","10.1039/d0dt01843k","","","0.71073","MoKα","","0.0714","0.0449","","","0.1165","0.1304","","","","","","1.026","","","","has coordinates,has disorder","256102","2020-10-21","18:00:00",""
"7704981","9.227","0.0005","14.0796","0.0006","14.6601","0.0005","84.174","0.003","78.867","0.004","76.93","0.004","1816.94","0.14","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H48 Br2 Cu2 N3 O2 P3 -","- C31 H48 Br2 Cu2 N3 O2 P3 -","- C62 H96 Br4 Cu4 N6 O4 P6 -","2","1","","Shamsieva, Aliia V.; Musina, Elvira I.; Gerasimova, Tatiana P.; Strelnik, Igor D.; Strelnik, Anna G.; Kolesnikov, Ilya E.; Kalinichev, Alexey A.; Islamov, Daut R.; Samigullina, Aida I.; Lönnecke, Peter; Katsyuba, Sergey A.; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Triple-bridged helical binuclear copper(i) complexes: Head-to-head and head-to-tail isomerism and the solid-state luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11997","12008","10.1039/d0dt01843k","","","0.71073","MoKα","","0.0712","0.0426","","","0.0932","0.1069","","","","","","1.023","","","","has coordinates,has disorder","256102","2020-10-21","18:00:00",""
"7704982","25.0528","0.0018","13.4498","0.001","18.7389","0.0013","90","","94.492","0.003","90","","6294.8","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H36 Br2 Cu2 N3 P3 -","- C27 H36 Br2 Cu2 N3 P3 -","- C216 H288 Br16 Cu16 N24 P24 -","8","1","","Shamsieva, Aliia V.; Musina, Elvira I.; Gerasimova, Tatiana P.; Strelnik, Igor D.; Strelnik, Anna G.; Kolesnikov, Ilya E.; Kalinichev, Alexey A.; Islamov, Daut R.; Samigullina, Aida I.; Lönnecke, Peter; Katsyuba, Sergey A.; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Triple-bridged helical binuclear copper(i) complexes: Head-to-head and head-to-tail isomerism and the solid-state luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11997","12008","10.1039/d0dt01843k","","x-ray","0.71073","MoKα","","0.0736","0.0569","","","0.1549","0.1658","","","","","","1.04","","","","has coordinates,has disorder","256102","2020-10-21","18:00:00",""
"7704983","7.908","0.0003","12.6688","0.0004","14.1413","0.0004","81.825","0.003","85.712","0.003","89.731","0.003","1398.4","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 Cl2 Hg N2 O4 -","- C32 H22 Cl2 Hg N2 O4 -","- C64 H44 Cl4 Hg2 N4 O8 -","2","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11859","11877","10.1039/d0dt01541e","","x-ray","1.54184","CuKα","","0.0373","0.033","","","0.0834","0.0865","","","","","","1.054","","","","has coordinates","256116","2020-10-21","18:00:00",""
"7704984","7.777","0.006","12.712","0.01","14.892","0.012","106.966","0.011","92.424","0.01","96.714","0.008","1394","1.9","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H20 Cl2 Hg N4 O4 -","- C30 H20 Cl2 Hg N4 O4 -","- C60 H40 Cl4 Hg2 N8 O8 -","2","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11859","11877","10.1039/d0dt01541e","","","0.71073","MoKα","","0.0663","0.0593","","","0.1454","0.152","","","","","","1.077","","","","has coordinates,has disorder","256116","2020-10-21","18:00:00",""
"7704985","8.0386","0.0001","12.9412","0.0002","28.5482","0.0004","90","","91.468","0.001","90","","2968.87","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Hg I2 N2 O4 -","- C32 H22 Hg I2 N2 O4 -","- C128 H88 Hg4 I8 N8 O16 -","4","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11859","11877","10.1039/d0dt01541e","","x-ray","1.54184","CuKα","","0.0422","0.0397","","","0.1057","0.1115","","","","","","1.059","","","","has coordinates","256116","2020-10-21","18:00:00",""
"7704986","34.7593","0.0004","5.8317","0.0001","13.8588","0.0001","90","","104.152","0.001","90","","2724","0.06","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Cl2 Hg N2 O4 -","- C32 H22 Cl2 Hg N2 O4 -","- C128 H88 Cl8 Hg4 N8 O16 -","4","0.5","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11859","11877","10.1039/d0dt01541e","","x-ray","1.54184","CuKα","","0.023","0.0225","","","0.0562","0.0565","","","","","","1.097","","","","has coordinates","256116","2020-10-21","18:00:00",""
"7704987","17.8352","0.0006","3.9583","0.0002","22.5679","0.0008","90","","96.403","0.003","90","","1583.29","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br2 Hg N O2 -","- C16 H11 Br2 Hg N O2 -","- C64 H44 Br8 Hg4 N4 O8 -","4","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11859","11877","10.1039/d0dt01541e","","x-ray","1.54184","CuKα","","0.0806","0.0767","","","0.1907","0.1966","","","","","","1.092","","","","has coordinates","256116","2020-10-21","18:00:00",""
"7704988","7.721","0.0003","12.9046","0.0004","14.8624","0.0005","106.723","0.003","91.422","0.003","97.034","0.003","1404.72","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H20 Br2 Hg N4 O4 -","- C30 H20 Br2 Hg N4 O4 -","- C60 H40 Br4 Hg2 N8 O8 -","2","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11859","11877","10.1039/d0dt01541e","","x-ray","1.54184","CuKα","","0.0422","0.0384","","","0.0987","0.1026","","","","","","1.009","","","","has coordinates,has disorder","256116","2020-10-21","18:00:00",""
"7704989","20.853","0.0008","4.2703","0.0001","21.8431","0.0009","90","","118.052","0.005","90","","1716.59","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Hg I2 N O2 -","- C16 H11 Hg I2 N O2 -","- C64 H44 Hg4 I8 N4 O8 -","4","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11859","11877","10.1039/d0dt01541e","","x-ray","1.54184","CuKα","","0.0687","0.068","","","0.1671","0.1694","","","","","","1.092","","","","has coordinates","256116","2020-10-21","18:00:00",""
"7704990","8.0059","0.0002","12.7359","0.0003","28.1343","0.0008","90","","92.936","0.002","90","","2864.87","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Br2 Hg N2 O4 -","- C32 H22 Br2 Hg N2 O4 -","- C128 H88 Br8 Hg4 N8 O16 -","4","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11859","11877","10.1039/d0dt01541e","","x-ray","1.54184","CuKα","","0.0706","0.0638","","","0.1503","0.1534","","","","","","1.148","","","","has coordinates","256116","2020-10-21","18:00:00",""
"7704991","34.7132","0.001","5.6591","0.0002","14.4049","0.0006","90","","104.757","0.003","90","","2736.44","0.17","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 Br2 Hg N4 O4 -","- C30 H20 Br2 Hg N4 O4 -","- C120 H80 Br8 Hg4 N16 O16 -","4","0.5","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11859","11877","10.1039/d0dt01541e","","x-ray","1.54184","CuKα","","0.041","0.0404","","","0.1039","0.1046","","","","","","1.054","","","","has coordinates","256116","2020-10-21","18:00:00",""
"7704992","36.26","0.03","5.382","0.003","15.592","0.011","90","","102.81","0.03","90","","2967","4","143","2","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 Hg I2 N4 O4 -","- C30 H20 Hg I2 N4 O4 -","- C120 H80 Hg4 I8 N16 O16 -","4","0.5","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11859","11877","10.1039/d0dt01541e","","","0.71073","MoKα","","0.1033","0.0812","","","0.1882","0.204","","","","","","1.061","","","","has coordinates","256116","2020-10-21","18:00:00",""
"7704993","34.2446","0.0004","5.6617","0.0001","14.1129","0.0002","90","","103.864","0.001","90","","2656.53","0.07","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 Cl2 Hg N4 O4 -","- C30 H20 Cl2 Hg N4 O4 -","- C120 H80 Cl8 Hg4 N16 O16 -","4","0.5","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11859","11877","10.1039/d0dt01541e","","x-ray","1.54184","CuKα","","0.0239","0.0229","","","0.057","0.0575","","","","","","1.097","","","","has coordinates","256116","2020-10-21","18:00:00",""
"7704994","10.1415","0.0004","11.3165","0.0005","14.1899","0.0006","81.0109","0.0014","70.7506","0.0013","64.3553","0.0012","1385.85","0.1","100","2","100","2","","","","","","","synthetical product","7","P -1","-P 1","2","dichloro-(2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-pheno-lato-N,O)-oxo-triphenylphosphine-rhenium(V) acetonitrile solvate (2:1)","dichloro-(2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-pheno-lato-N,O)-oxo-triphenylphosphine-rhenium(V) acetonitrile solvate (2:1)","","- C60 H57 Cl4 N3 O6 P2 Re2 -","- C60 H57 Cl4 N3 O6 P2 Re2 -","- C60 H57 Cl4 N3 O6 P2 Re2 -","1","0.5","","Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Isomers in chlorido and alkoxido-substituted oxidorhenium(v) complexes: effects on catalytic epoxidation activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11142","11149","10.1039/d0dt02352c","","","0.71073","MoKα","","0.0175","0.0167","","","0.0443","0.0448","","","","","","1.093","","","","has coordinates,has disorder","256066","2020-10-21","18:00:00",""
"7704995","10.7088","0.0004","10.7534","0.0004","12.8027","0.0005","77.6402","0.0017","87.6176","0.0018","82.1537","0.0018","1426.54","0.09","100","2","100","2","","","","","","","synthetical product","7","P -1","-P 1","2","cis-dichloro-[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-4-nitropheno-lato-N,O]-oxo-(triphenylphosphine)-rhenium(V)","cis-dichloro-[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-4-nitropheno-lato-N,O]-oxo-(triphenylphosphine)-rhenium(V)","","- C29 H26 Cl2 N2 O5 P Re -","- C29 H26 Cl2 N2 O5 P Re -","- C58 H52 Cl4 N4 O10 P2 Re2 -","2","1","","Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Isomers in chlorido and alkoxido-substituted oxidorhenium(v) complexes: effects on catalytic epoxidation activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11142","11149","10.1039/d0dt02352c","","","0.71073","MoKα","","0.0327","0.0297","","","0.0627","0.0636","","","","","","1.083","","","","has coordinates","256066","2020-10-21","18:00:00",""
"7704996","9.945","0.002","10.196","0.002","14.358","0.003","79.637","0.003","79.537","0.002","69.695","0.002","1331.9","0.5","100","2","100","2","","","","","","","synthetical product","7","P -1","-P 1","2","cis-dichloro-[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pheno-lato-N,O]-oxo-(triphenylphosphine-P)-rhenium(V)","cis-dichloro-[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pheno-lato-N,O]-oxo-(triphenylphosphine-P)-rhenium(V)","","- C29 H27 Cl2 N O3 P Re -","- C29 H27 Cl2 N O3 P Re -","- C58 H54 Cl4 N2 O6 P2 Re2 -","2","1","","Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Isomers in chlorido and alkoxido-substituted oxidorhenium(v) complexes: effects on catalytic epoxidation activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11142","11149","10.1039/d0dt02352c","","","0.71073","MoKα","","0.0431","0.0343","","","0.0809","0.0853","","","","","","1.045","","","","has coordinates","256066","2020-10-21","18:00:00",""
"7704997","5.9916","0.0003","18.1389","0.0005","18.0161","0.0008","90","","116.415","0.006","90","","1753.58","0.16","128","20","128","20","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7c","","- C19 H20 B N3 O3 -","- C19 H20 B N3 O3 -","- C76 H80 B4 N12 O12 -","4","1","","Hashemzadeh, Tahmineh; Haghighatbin, Mohammad A.; Agugiaro, Johnny; Wilson, David J. D.; Hogan, Conor F.; Barnard, Peter J.","Luminescent iridium(iii)-boronic acid complexes for carbohydrate sensing.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11361","11374","10.1039/d0dt02177f","","","1.54184","CuKα","","0.043","0.036","","","0.0874","0.0922","","","","","","1.051","","","","has coordinates","256054","2020-10-21","18:00:00",""
"7704998","23.9525","0.0004","17.7651","0.0003","8.47345","0.00016","90","","98.7316","0.0019","90","","3563.82","0.11","116","20","116","20","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","8a","","- C38 H34 B Cl Ir N7 O3 -","- C38 H34 B Cl Ir N7 O3 -","- C152 H136 B4 Cl4 Ir4 N28 O12 -","4","1","","Hashemzadeh, Tahmineh; Haghighatbin, Mohammad A.; Agugiaro, Johnny; Wilson, David J. D.; Hogan, Conor F.; Barnard, Peter J.","Luminescent iridium(iii)-boronic acid complexes for carbohydrate sensing.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11361","11374","10.1039/d0dt02177f","","","1.54184","CuKα","","0.0418","0.0359","","","0.0898","0.0937","","","","","","1.042","","","","has coordinates","256054","2020-10-21","18:00:00",""
"7704999","9.6334","0.0001","14.1556","0.0001","15.3064","0.0001","73.099","0.001","77.242","0.001","77.046","0.001","1918.99","0.03","149.99","0.1","149.99","0.1","","","","","","","","7","P -1","-P 1","2","","8c","","- C37 H32 B Cl Ir N5 O4 -","- C37 H32 B Cl Ir N5 O4 -","- C74 H64 B2 Cl2 Ir2 N10 O8 -","2","1","","Hashemzadeh, Tahmineh; Haghighatbin, Mohammad A.; Agugiaro, Johnny; Wilson, David J. D.; Hogan, Conor F.; Barnard, Peter J.","Luminescent iridium(iii)-boronic acid complexes for carbohydrate sensing.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11361","11374","10.1039/d0dt02177f","","","1.54184","CuKα","","0.0197","0.0196","","","0.0491","0.0492","","","","","","1.059","","","","has coordinates","256054","2020-10-21","18:00:00",""
"7705000","26.8343","0.0009","26.8343","0.0009","14.8769","0.0005","90","","90","","120","","9277.3","0.5","100","2","100","","","","","","","","","5","P 6/m","-P 6","175","","","","- C325.5 H217.5 N55.5 O55.5 Zn18 -","- C325.5 H214.5 N55.5 O55.5 Zn18 -","- C325.5 H214.5 N55.5 O55.5 Zn18 -","1","0.0833333","","Alanazi, Abdulaziz A.; Wojtas, Lukasz; Mayers, Jacob M.; Miksovska, Jaroslava; Larsen, Randy W.","Framework induced deformation modulates the photophysical properties of ZnTetra(4-pyridyl)porphyrin incorporated within a new metal organic framework, RWLAA-1.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11668","11674","10.1039/d0dt02050h","","","1.54178","CuKα","","0.1112","0.1024","","","0.2904","0.2974","","","","","","1.162","","","","has coordinates,has disorder","256078","2020-10-21","18:00:00",""
"7705001","29.6077","0.0006","12.1976","0.0003","19.6966","0.0004","90","","97.086","0.002","90","","7059","0.3","294","","294","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 Cl4 F6 N O4 P Pd S -","- C29 H26 Cl4 F6 N O4 P Pd S -","- C232 H208 Cl32 F48 N8 O32 P8 Pd8 S8 -","8","1","","Gallego, Ana M.; Peñas-Defrutos, Marconi N; Marcos-Ayuso, Guillermo; Martin-Alvarez, Jose M; Martínez-Ilarduya, Jesús M; Espinet, Pablo","Experimental study of speciation and mechanistic implications when using chelating ligands in aryl-alkynyl Stille coupling.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11336","11345","10.1039/d0dt02335c","","x-ray","0.71073","MoKα","","0.0624","0.0415","","","0.0906","0.1035","","","","","","1.035","","","","has coordinates","256068","2020-10-21","18:00:00",""
"7705002","13.2042","0.0004","19.5582","0.0005","14.3252","0.0004","90","","102.932","0.003","90","","3605.66","0.18","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 Cl3 F3 Fe P2 Pd -","- C40 H28 Cl3 F3 Fe P2 Pd -","- C160 H112 Cl12 F12 Fe4 P8 Pd4 -","4","1","","Gallego, Ana M.; Peñas-Defrutos, Marconi N; Marcos-Ayuso, Guillermo; Martin-Alvarez, Jose M; Martínez-Ilarduya, Jesús M; Espinet, Pablo","Experimental study of speciation and mechanistic implications when using chelating ligands in aryl-alkynyl Stille coupling.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11336","11345","10.1039/d0dt02335c","","","0.71073","MoKα","","0.0819","0.0452","","","0.088","0.1054","","","","","","1.019","","","","has coordinates","256068","2020-10-21","18:00:00",""
"7705003","10.9025","0.0007","13.2759","0.0007","13.466","0.0006","118.557","0.005","100.42","0.005","96.292","0.005","1639.79","0.19","293","2","294","","","","","","","","","9","P -1","-P 1","2","","","","- C31 H30 Cl2 F3 I N O P Pd -","- C31 H30 Cl2 F3 I N O P Pd -","- C62 H60 Cl4 F6 I2 N2 O2 P2 Pd2 -","2","1","","Gallego, Ana M.; Peñas-Defrutos, Marconi N; Marcos-Ayuso, Guillermo; Martin-Alvarez, Jose M; Martínez-Ilarduya, Jesús M; Espinet, Pablo","Experimental study of speciation and mechanistic implications when using chelating ligands in aryl-alkynyl Stille coupling.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11336","11345","10.1039/d0dt02335c","","x-ray","0.71073","MoKα","","0.086","0.049","","","0.1113","0.1399","","","","","","1.041","","","","has coordinates","256068","2020-10-21","18:00:00",""
"7705004","10.3519","0.0004","9.1916","0.0004","46.0458","0.0019","90","","93.94","0.003","90","","4370.9","0.3","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H56 P2 Pd Sn -","- C46 H56 P2 Pd Sn -","- C184 H224 P8 Pd4 Sn4 -","4","1","","Gallego, Ana M.; Peñas-Defrutos, Marconi N; Marcos-Ayuso, Guillermo; Martin-Alvarez, Jose M; Martínez-Ilarduya, Jesús M; Espinet, Pablo","Experimental study of speciation and mechanistic implications when using chelating ligands in aryl-alkynyl Stille coupling.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11336","11345","10.1039/d0dt02335c","","x-ray","0.71073","MoKα","","0.1646","0.0973","","","0.17","0.1945","","","","","","1.105","","","","has coordinates","256068","2020-10-21","18:00:00",""
"7705005","12.1035","0.0008","13.6408","0.0011","14.2807","0.0009","102.276","0.006","104.322","0.006","114.833","0.007","1934.3","0.3","294","","294","","","","","","","","","7","P -1","-P 1","2","","","","- C82 H60 Cl10 F6 Fe2 P4 Pd2 -","- C82 H60 Cl10 F6 Fe2 P4 Pd2 -","- C82 H60 Cl10 F6 Fe2 P4 Pd2 -","1","0.5","","Gallego, Ana M.; Peñas-Defrutos, Marconi N; Marcos-Ayuso, Guillermo; Martin-Alvarez, Jose M; Martínez-Ilarduya, Jesús M; Espinet, Pablo","Experimental study of speciation and mechanistic implications when using chelating ligands in aryl-alkynyl Stille coupling.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11336","11345","10.1039/d0dt02335c","","x-ray","0.71073","MoKα","","0.1923","0.0882","","","0.1101","0.1526","","","","","","1.074","","","","has coordinates","256068","2020-10-21","18:00:00",""
"7705006","43.4249","0.001","9.8871","0.0002","18.8438","0.0005","90","","97.664","0.002","90","","8018.2","0.3","210.1","0.3","210.1","0.3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H35 Cl2 F3 O0.75 P2 Pd -","- C43 H35 Cl2 F3 O0.75 P2 Pd -","- C344 H280 Cl16 F24 O6 P16 Pd8 -","8","2","","Gallego, Ana M.; Peñas-Defrutos, Marconi N; Marcos-Ayuso, Guillermo; Martin-Alvarez, Jose M; Martínez-Ilarduya, Jesús M; Espinet, Pablo","Experimental study of speciation and mechanistic implications when using chelating ligands in aryl-alkynyl Stille coupling.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11336","11345","10.1039/d0dt02335c","","x-ray","0.71073","MoKα","","0.1258","0.0754","","","0.1449","0.1687","","","","","","1.096","","","","has coordinates","256068","2020-10-21","18:00:00",""
"7705007","9.8047","0.0005","11.4455","0.0005","21.248","0.0009","87.825","0.002","85.279","0.002","81.634","0.002","2350.25","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H77 P Pt S2 -","- C52 H77 P Pt S2 -","- C104 H154 P2 Pt2 S4 -","2","1","","Mews, N. M.; Reimann, M.; Hörner, G; Kaupp, M.; Schubert, H.; Berkefeld, A.","A four-parameter system for rationalising the electronic properties of transition metal-radical ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9735","9742","10.1039/d0dt02237c","","","0.71073","MoKα","","0.0217","0.018","","","0.0397","0.0407","","","","","","1.026","","","","has coordinates","254791","2020-10-21","18:00:00",""
"7705008","14.4458","0.0003","18.4681","0.0004","19.6025","0.0004","107.001","0.001","108.695","0.001","100.016","0.001","4525.78","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H83 B F24 P Pt S2 -","- C89 H83 B F24 P Pt S2 -","- C178 H166 B2 F48 P2 Pt2 S4 -","2","1","","Mews, N. M.; Reimann, M.; Hörner, G; Kaupp, M.; Schubert, H.; Berkefeld, A.","A four-parameter system for rationalising the electronic properties of transition metal-radical ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9735","9742","10.1039/d0dt02237c","","","0.71073","MoKα","","0.0366","0.0286","","","0.0718","0.0781","","","","","","1.08","","","","has coordinates,has disorder","254791","2020-10-21","18:00:00",""
"7705009","15.1784","0.0006","16.5068","0.0006","21.9412","0.0008","84.293","0.002","72.914","0.002","71.728","0.002","4989.6","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C50.5 H53 B0.5 Cl2 F12 P0.5 Pt0.5 S -","- C50.5 H53 B0.5 Cl2 F12 P0.5 Pt0.5 S -","- C202 H212 B2 Cl8 F48 P2 Pt2 S4 -","4","2","","Mews, N. M.; Reimann, M.; Hörner, G; Kaupp, M.; Schubert, H.; Berkefeld, A.","A four-parameter system for rationalising the electronic properties of transition metal-radical ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9735","9742","10.1039/d0dt02237c","","","0.71073","MoKα","","0.0701","0.0575","","","0.1466","0.1537","","","","","","1.038","","","","has coordinates,has disorder","254791","2020-10-21","18:00:00",""
"7705010","9.4361","0.0007","34.785","0.003","17.2103","0.0012","90","","91.871","0.002","90","","5646","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66.5 H67.5 P Pd S2 -","- C66.5 H67.5 P Pd S2 -","- C266 H270 P4 Pd4 S8 -","4","1","","Mews, N. M.; Reimann, M.; Hörner, G; Kaupp, M.; Schubert, H.; Berkefeld, A.","A four-parameter system for rationalising the electronic properties of transition metal-radical ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9735","9742","10.1039/d0dt02237c","","","0.71073","MoKα","","0.0554","0.0398","","","0.0845","0.0905","","","","","","1.069","","","","has coordinates,has disorder","254791","2020-10-21","18:00:00",""
"7705011","9.853","0.0002","31.8471","0.0006","20.0163","0.0004","90","","93.063","0.001","90","","6271.9","0.2","100","2","100","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C142 H174 F6 P2 Pt2 S4 -","- C142 H174 F6 P2 Pt2 S4 -","- C284 H348 F12 P4 Pt4 S8 -","2","0.25","","Mews, N. M.; Reimann, M.; Hörner, G; Kaupp, M.; Schubert, H.; Berkefeld, A.","A four-parameter system for rationalising the electronic properties of transition metal-radical ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9735","9742","10.1039/d0dt02237c","","","0.71073","MoKα","","0.017","0.0151","","","0.0365","0.0372","","","","","","1.072","","","","has coordinates","254791","2020-10-21","18:00:00",""
"7705012","10.0757","0.0003","16.5651","0.0004","19.5789","0.0006","108.639","0.001","97.825","0.002","105.248","0.001","2899.46","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C65.5 H85 P Pd S2 -","- C65.5 H85 P Pd S2 -","- C131 H170 P2 Pd2 S4 -","2","1","","Mews, N. M.; Reimann, M.; Hörner, G; Kaupp, M.; Schubert, H.; Berkefeld, A.","A four-parameter system for rationalising the electronic properties of transition metal-radical ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9735","9742","10.1039/d0dt02237c","","","0.71073","MoKα","","0.0474","0.0304","","","0.0719","0.0859","","","","","","1.073","","","","has coordinates,has disorder","254791","2020-10-21","18:00:00",""
"7705013","27.474","0.001","29.3018","0.001","10.854","0.0004","90","","90","","90","","8737.9","0.5","100","2","100","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C32 H40.5 F3 N0.5 O2 P0.5 Pt0.5 S2 -","- C32 H40.5 F3 N0.5 O2 P0.5 Pt0.5 S2 -","- C256 H324 F24 N4 O16 P4 Pt4 S16 -","8","1","","Mews, N. M.; Reimann, M.; Hörner, G; Kaupp, M.; Schubert, H.; Berkefeld, A.","A four-parameter system for rationalising the electronic properties of transition metal-radical ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9735","9742","10.1039/d0dt02237c","","","0.71073","MoKα","","0.0736","0.0512","","","0.1382","0.1498","","","","","","1.039","","","","has coordinates,has disorder","254791","2020-10-21","18:00:00",""
"7705014","11.4924","0.0003","13.2351","0.0004","15.96","0.0005","106.179","0.002","94.527","0.002","99.208","0.002","2281.76","0.12","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H59 P Pt S2 -","- C52 H59 P Pt S2 -","- C104 H118 P2 Pt2 S4 -","2","1","","Mews, N. M.; Reimann, M.; Hörner, G; Kaupp, M.; Schubert, H.; Berkefeld, A.","A four-parameter system for rationalising the electronic properties of transition metal-radical ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9735","9742","10.1039/d0dt02237c","","","0.71073","MoKα","","0.0528","0.0347","","","0.0548","0.0591","","","","","","1.095","","","","has coordinates","254791","2020-10-21","18:00:00",""
"7705015","15.9777","0.0003","17.5645","0.0003","19.4418","0.0003","111.628","0.001","102.163","0.001","92.678","0.001","4911.5","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H93 B F24 P Pd S2 -","- C94 H93 B F24 P Pd S2 -","- C188 H186 B2 F48 P2 Pd2 S4 -","2","1","","Mews, N. M.; Reimann, M.; Hörner, G; Kaupp, M.; Schubert, H.; Berkefeld, A.","A four-parameter system for rationalising the electronic properties of transition metal-radical ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9735","9742","10.1039/d0dt02237c","","","0.71073","MoKα","","0.0735","0.0467","","","0.1113","0.1243","","","","","","1.028","","","","has coordinates,has disorder","254791","2020-10-21","18:00:00",""
"7705016","14.6292","0.0003","18.101","0.0003","15.3035","0.0003","90","","103.274","0.002","90","","3944.15","0.13","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C30 H31 N6 O14 V2 -","- C30 H31 N6 O14 V2 -","- C120 H124 N24 O56 V8 -","4","0.5","","Deng, Lan; Zhou, Zhao-Hui","Spontaneous conversions of glutamine, histidine and arginine into α-hydroxycarboxylates with NH<sub>4</sub>VO<sub>3</sub> or V<sub>2</sub>O<sub>5</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11921","11930","10.1039/d0dt02150d","","x-ray","1.54184","CuKα","","0.0494","0.047","","","0.1221","0.1265","","","","","","1.062","","","","has coordinates","256114","2020-10-21","18:00:00",""
"7705017","12.6935","0.0003","10.8889","0.0002","17.1563","0.0004","90","","112.342","0.003","90","","2193.3","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H30 N9 O10 V -","- C13 H30 N9 O10 V -","- C52 H120 N36 O40 V4 -","4","0.5","","Deng, Lan; Zhou, Zhao-Hui","Spontaneous conversions of glutamine, histidine and arginine into α-hydroxycarboxylates with NH<sub>4</sub>VO<sub>3</sub> or V<sub>2</sub>O<sub>5</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11921","11930","10.1039/d0dt02150d","","x-ray","1.54184","CuKα","","0.0422","0.0398","","","0.1126","0.1142","","","","","","1.084","","","","has coordinates","256114","2020-10-21","18:00:00",""
"7705018","21.4251","0.0006","15.6225","0.0004","13.7562","0.0003","90","","96.682","0.002","90","","4573.1","0.2","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H24 N12 O8 V2 -","- C52 H24 N12 O8 V2 -","- C208 H96 N48 O32 V8 -","4","0.5","","Deng, Lan; Zhou, Zhao-Hui","Spontaneous conversions of glutamine, histidine and arginine into α-hydroxycarboxylates with NH<sub>4</sub>VO<sub>3</sub> or V<sub>2</sub>O<sub>5</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11921","11930","10.1039/d0dt02150d","","x-ray","1.54184","CuKα","","0.1052","0.0872","","","0.2574","0.3036","","","","","","1.103","","","","has coordinates,has disorder","256114","2020-10-21","18:00:00",""
"7705019","13.8138","0.0006","5.1262","0.0002","17.0635","0.0007","90","","112.374","0.005","90","","1117.34","0.09","100","0.1","100","0.1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C6 H16 N4 O5.5 V -","- C6 H16 N4 O5.5 V -","- C24 H64 N16 O22 V4 -","4","1","","Deng, Lan; Zhou, Zhao-Hui","Spontaneous conversions of glutamine, histidine and arginine into α-hydroxycarboxylates with NH<sub>4</sub>VO<sub>3</sub> or V<sub>2</sub>O<sub>5</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11921","11930","10.1039/d0dt02150d","","x-ray","1.54184","CuKα","","0.0471","0.04","","","0.1048","0.1165","","","","","","1.115","","","","has coordinates","256114","2020-10-21","18:00:00",""
"7705020","25.434","0.0018","14.4471","0.001","25.2689","0.0017","90","","97.579","0.002","90","","9203.9","1.1","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 B Cu F4 N2 O6 P2 -","- C46 H48 B Cu F4 N2 O6 P2 -","- C368 H384 B8 Cu8 F32 N16 O48 P16 -","8","1","","Machado, João Franco; Sequeira, Diogo; Marques, Fernanda; Piedade, M Fátima M; Villa de Brito, Maria J.; Helena Garcia, M.; Fernandes, Alexandra R.; Morais, Tânia S","New copper(I) complexes selective for prostate cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12273","12286","10.1039/d0dt02157a","","","0.71073","MoKα","","0.0668","0.0453","","","0.1134","0.1295","","","","","","1.036","","","","has coordinates,has disorder","257553","2020-10-21","18:00:00",""
"7705021","10.1481","0.0006","15.2715","0.0008","24.6619","0.0013","90","","90.862","0.003","90","","3821.6","0.4","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H37 B Cu F4 N O P2 -","- C43 H37 B Cu F4 N O P2 -","- C172 H148 B4 Cu4 F16 N4 O4 P8 -","4","1","","Machado, João Franco; Sequeira, Diogo; Marques, Fernanda; Piedade, M Fátima M; Villa de Brito, Maria J.; Helena Garcia, M.; Fernandes, Alexandra R.; Morais, Tânia S","New copper(I) complexes selective for prostate cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12273","12286","10.1039/d0dt02157a","","","0.71073","MoKα","","0.0759","0.0442","","","0.0957","0.1072","","","","","","1.023","","","","has coordinates","257553","2020-10-21","18:00:00",""
"7705022","11.3647","0.0007","14.0498","0.0009","16.4417","0.001","104.108","0.003","108.859","0.003","99.858","0.003","2318.3","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H49 B Cu F4 N O7 P2 -","- C49 H49 B Cu F4 N O7 P2 -","- C98 H98 B2 Cu2 F8 N2 O14 P4 -","2","1","","Machado, João Franco; Sequeira, Diogo; Marques, Fernanda; Piedade, M Fátima M; Villa de Brito, Maria J.; Helena Garcia, M.; Fernandes, Alexandra R.; Morais, Tânia S","New copper(I) complexes selective for prostate cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12273","12286","10.1039/d0dt02157a","","","0.71073","MoKα","","0.0738","0.0559","","","0.1613","0.1766","","","","","","0.997","","","","has coordinates","257553","2020-10-21","18:00:00",""
"7705023","12.2108","0.0009","12.8588","0.001","13.1631","0.0009","67.715","0.003","70.662","0.003","83.733","0.003","1804.2","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H33 B Cu F4 N O P2 -","- C38 H33 B Cu F4 N O P2 -","- C76 H66 B2 Cu2 F8 N2 O2 P4 -","2","1","","Machado, João Franco; Sequeira, Diogo; Marques, Fernanda; Piedade, M Fátima M; Villa de Brito, Maria J.; Helena Garcia, M.; Fernandes, Alexandra R.; Morais, Tânia S","New copper(I) complexes selective for prostate cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12273","12286","10.1039/d0dt02157a","","","0.71073","MoKα","","0.0656","0.0518","","","0.1586","0.1717","","","","","","0.988","","","","has coordinates,has disorder","257553","2020-10-21","18:00:00",""
"7705024","11.2004","0.0006","12.8118","0.0007","16.8513","0.001","79.448","0.003","81.661","0.003","66.911","0.003","2179.6","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H41 B Cu F4 N O P2 -","- C52 H41 B Cu F4 N O P2 -","- C104 H82 B2 Cu2 F8 N2 O2 P4 -","2","1","","Machado, João Franco; Sequeira, Diogo; Marques, Fernanda; Piedade, M Fátima M; Villa de Brito, Maria J.; Helena Garcia, M.; Fernandes, Alexandra R.; Morais, Tânia S","New copper(I) complexes selective for prostate cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12273","12286","10.1039/d0dt02157a","","","0.71073","MoKα","","0.0564","0.0481","","","0.1408","0.1486","","","","","","1.005","","","","has coordinates,has disorder","257553","2020-10-21","18:00:00",""
"7705025","20.887","0.004","22.592","0.005","33.244","0.007","90","0.03","90","0.03","90","0.03","15687","6","120","2","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","SCIF-2","","- C47 H87 In10 N13 S17 -","- C47 H87 In10 N13 S17 -","- C376 H696 In80 N104 S136 -","8","1","","Liu, Xiaoshuang; Xue, Chaozhuang; Wang, Xiang; Zhang, Jiaxu; Wu, Tao","Controllable incorporation of 1,2,4-triazolate into cluster-based metal-chalcogenide frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11489","11492","10.1039/d0dt02492a","","","0.71073","MoKα","","0.0323","0.0274","","","0.0504","0.0517","","","","","","1.15","","","","has coordinates","256073","2020-10-21","18:00:00",""
"7705026","14.434","0.005","17.95","0.007","26.051","0.009","90","","93.072","0.008","90","","6740","4","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H60 Cl2 Dy2 N12 O15 -","- C53 H60 Cl2 Dy2 N12 O15 -","- C212 H240 Cl8 Dy8 N48 O60 -","4","1","","Liu, Shuting; Lu, Jingjing; Li, Xiao-Lei; Zhu, Zhenhua; Tang, Jinkui","Counter anions influence the relaxation dynamics of phenoxy-bridged Dy<sub>2</sub> single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12372","12379","10.1039/d0dt02451a","","","0.71073","MoKα","","0.0887","0.0657","","","0.1855","0.2011","","","","","","1.031","","","","has coordinates","257565","2020-10-21","18:00:00",""
"7705027","14.0961","0.0009","18.9669","0.0012","26.3438","0.0018","90","","104.921","0.001","90","","6805.8","0.8","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H70 Cl2 Dy2 N12 O24 -","- C57 H70 Cl2 Dy2 N12 O24 -","- C228 H280 Cl8 Dy8 N48 O96 -","4","1","","Liu, Shuting; Lu, Jingjing; Li, Xiao-Lei; Zhu, Zhenhua; Tang, Jinkui","Counter anions influence the relaxation dynamics of phenoxy-bridged Dy<sub>2</sub> single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12372","12379","10.1039/d0dt02451a","","","0.71073","MoKα","","0.0729","0.0582","","","0.1517","0.1595","","","","","","1.107","","","","has coordinates","257565","2020-10-21","18:00:00",""
"7705028","14.515","0.003","18.063","0.004","27.276","0.007","90","","92.25","0.005","90","","7146","3","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H63 Dy2 N14 O21 -","- C55 H63 Dy2 N14 O21 -","- C220 H252 Dy8 N56 O84 -","4","1","","Liu, Shuting; Lu, Jingjing; Li, Xiao-Lei; Zhu, Zhenhua; Tang, Jinkui","Counter anions influence the relaxation dynamics of phenoxy-bridged Dy<sub>2</sub> single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12372","12379","10.1039/d0dt02451a","","","0.71073","MoKα","","0.0932","0.0586","","","0.1368","0.1544","","","","","","0.995","","","","has coordinates","257565","2020-10-21","18:00:00",""
"7705029","15.7602","0.0013","18.2693","0.0015","24.804","0.002","95.967","0.001","100.081","0.002","90.964","0.001","6988.9","1","273.15","","273.15","","","","","","","","","8","P -1","-P 1","2","","","","- C60 H62.5 Cl Dy2 F6 N12 O19.5 S2 -","- C60 H66.5 Cl Dy2 F6 N12 O19.5 S2 -","- C240 H266 Cl4 Dy8 F24 N48 O78 S8 -","4","2","","Liu, Shuting; Lu, Jingjing; Li, Xiao-Lei; Zhu, Zhenhua; Tang, Jinkui","Counter anions influence the relaxation dynamics of phenoxy-bridged Dy<sub>2</sub> single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12372","12379","10.1039/d0dt02451a","","","0.71073","MoKα","","0.0479","0.04","","","0.1099","0.1168","","","","","","1.027","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7705030","23.3074","0.0003","23.7367","0.0002","24.8704","0.0003","90","","111.768","0.001","90","","12778.2","0.3","154.4","0.8","154.4","0.8","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C168 H145 Mg2 N5 O0.25 -","- C148 H123.522 Mg2 N4 O0.478 -","- C592 H494.088 Mg8 N16 O1.912 -","4","1","","Bakewell, Clare","Magnesium hydrides bearing sterically demanding amidinate ligands: synthesis, reactivity and catalytic application.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11354","11360","10.1039/d0dt02523b","","x-ray","1.54184","CuKα","","0.0693","0.0538","","","0.1404","0.1527","","","","","","1.041","","","","has coordinates,has disorder","256067","2020-10-21","18:00:00",""
"7705031","13.5273","0.0002","13.5524","0.0002","28.3251","0.0004","95.585","0.001","97.138","0.001","112.921","0.002","4684.98","0.14","149.95","0.1","149.95","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C106 H103.39 Mg2 N4 O0.61 -","- C106 H103.372 Mg2 N4 O0.628 -","- C212 H206.744 Mg4 N8 O1.256 -","2","1","","Bakewell, Clare","Magnesium hydrides bearing sterically demanding amidinate ligands: synthesis, reactivity and catalytic application.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11354","11360","10.1039/d0dt02523b","","x-ray","1.54184","CuKα","","0.0472","0.0436","","","0.1126","0.1157","","","","","","1.039","","","","has coordinates,has disorder","256067","2020-10-21","18:00:00",""
"7705032","12.3496","0.0003","12.7732","0.0003","19.207","0.0004","97.5417","0.0018","99.133","0.002","116.233","0.003","2612.97","0.13","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C59 H69 Mg N3 Si2 -","- C59 H69 Mg N3 Si2 -","- C118 H138 Mg2 N6 Si4 -","2","1","","Bakewell, Clare","Magnesium hydrides bearing sterically demanding amidinate ligands: synthesis, reactivity and catalytic application.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11354","11360","10.1039/d0dt02523b","","x-ray","1.54184","CuKα","","0.045","0.0385","","","0.1285","0.1381","","","","","","1.101","","","","has coordinates","256067","2020-10-21","18:00:00",""
"7705033","15.613","0.0003","17.0913","0.0003","17.1689","0.0003","84.511","0.002","69.542","0.002","64.578","0.002","3868.84","0.15","150.41","0.14","150.41","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C87 H87 Mg N3 Si2 -","- C87 H87 Mg N3 Si2 -","- C174 H174 Mg2 N6 Si4 -","2","1","","Bakewell, Clare","Magnesium hydrides bearing sterically demanding amidinate ligands: synthesis, reactivity and catalytic application.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11354","11360","10.1039/d0dt02523b","","x-ray","1.54184","CuKα","","0.0486","0.0413","","","0.1067","0.1124","","","","","","1.033","","","","has coordinates","256067","2020-10-21","18:00:00",""
"7705034","15.379","0.0004","17.8137","0.0005","23.3393","0.0005","88.579","0.002","74.671","0.002","79.266","0.002","6056.6","0.3","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C134 H124 Mg2 N4 -","- C134 H124 Mg2 N4 -","- C268 H248 Mg4 N8 -","2","1","","Bakewell, Clare","Magnesium hydrides bearing sterically demanding amidinate ligands: synthesis, reactivity and catalytic application.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11354","11360","10.1039/d0dt02523b","","x-ray","1.54184","CuKα","","0.054","0.0451","","","0.1209","0.1297","","","","","","1.022","","","","has coordinates","256067","2020-10-21","18:00:00",""
"7705035","7.9099","0.0003","10.7385","0.0005","16.0383","0.0007","106.89","0.002","91.817","0.001","96.869","0.002","1291.01","0.1","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Cl N4 O2 Zn -","- C30 H23 Cl N4 O2 Zn -","- C60 H46 Cl2 N8 O4 Zn2 -","2","1","","Yu, Chengfeng; Wang, Xiaoling; Wu, Ting; Gu, Xiangwei; Huang, Wei; Kirillov, Alexander M.; Wu, Dayu","Color tuning of intrinsic white-light emission in anthracene-linker coordination networks.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12082","12087","10.1039/d0dt02033h","","","0.71073","MoKα","","0.0527","0.0338","","","0.0665","0.079","","","","","","1.0955","","","","has coordinates","256120","2020-10-21","18:00:00",""
"7705036","24.581","0.002","5.2005","0.0005","16.5073","0.0017","90","","97.638","0.004","90","","2091.5","0.3","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N4 O4 Zn -","- C24 H20 N4 O4 Zn -","- C96 H80 N16 O16 Zn4 -","4","0.5","","Yu, Chengfeng; Wang, Xiaoling; Wu, Ting; Gu, Xiangwei; Huang, Wei; Kirillov, Alexander M.; Wu, Dayu","Color tuning of intrinsic white-light emission in anthracene-linker coordination networks.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12082","12087","10.1039/d0dt02033h","","","0.71073","MoKα","","0.0622","0.0377","","","0.0897","0.1059","","","","","","1.0699","","","","has coordinates","256120","2020-10-21","18:00:00",""
"7705037","20.745","0.003","17.732","0.002","28.218","0.004","90","","108.601","0.0018","90","","9838","2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(TPP)Zr(XbicH2).7(THF)","Tetraphenylporphyrin-(9,9-dimethylxanthene-4,5-bis(iminium)bis(4,6-ditertbutylcatecholato))zirconium(IV) hepta-tetrahydrofuran solvate","","- C117 H138 N6 O12 Zr -","- C117 H138 N6 O12 Zr -","- C468 H552 N24 O48 Zr4 -","4","1","","Do, Thomas H.; Brown, Seth N.","Synthesis, dynamics and redox properties of eight-coordinate zirconium catecholate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11648","11656","10.1039/d0dt02487b","","","0.71073","MoKα","","0.0639","0.0469","","","0.1024","0.1093","","","","","","1.041","","","","has coordinates,has disorder","256071","2020-10-21","18:00:00",""
"7705038","35.0034","0.0017","15.2378","0.0007","24.6829","0.0012","90","","133.956","0.0012","90","","9477.3","0.8","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(XbicH2)2Zr . 3 CHCl3 . C6H14","Bis(9,9-dimethylxanthene-4,5-bis(4,6-di-tert-butylcatecholatoaldiminium))zirconium(IV) tri-chloroform mono-hexane solvate","","- C99 H125 Cl9 N4 O10 Zr -","- C92 H110 Cl6 N4 O10 Zr -","- C368 H440 Cl24 N16 O40 Zr4 -","4","0.5","","Do, Thomas H.; Brown, Seth N.","Synthesis, dynamics and redox properties of eight-coordinate zirconium catecholate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11648","11656","10.1039/d0dt02487b","","","0.71073","MoKα","","0.0504","0.0406","","","0.1077","0.1151","","","","","","1.051","","","","has coordinates","256071","2020-10-21","18:00:00",""
"7705039","8.16902","0.00031","11.55156","0.00034","13.9869","0.00052","113.099","0.0026","102.331","0.0039","90.4878","0.0047","1179.78","0.08","298","","298","","","","","","","","","3","P -1","-P 1","2","","Ce-MIL-140-BDC","","- C16 Ce2 O10 -","- C16 Ce2 O13.664 -","- C32 Ce4 O27.328 -","2","1","","Jacobsen, Jannick; Wegner, Lasse; Reinsch, Helge; Stock, Norbert","Ce-MIL-140: expanding the synthesis routes for cerium(iv) metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11396","11402","10.1039/d0dt02455d","powder diffraction","x-ray","1.5046","CuKα","","","","","","","","","0.0258","1.999","","","","","","","has coordinates","256052","2020-10-21","18:00:00",""
"7705040","15.002","0.0004","17.0336","0.0004","19.9857","0.0004","90","","111.308","0.004","90","","4758","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H44 B F15 N2 Se -","- C52 H44 B F15 N2 Se -","- C208 H176 B4 F60 N8 Se4 -","4","1","","Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias","Chalcogen complexes of anionic N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13207","13217","10.1039/d0dt02392b","","","0.71073","MoKα","","0.095","0.0537","","","0.1255","0.1437","","","","","","1.018","","","","has coordinates","258869","2020-11-06","12:24:15",""
"7705041","12.56245","0.00006","26.01067","0.00013","29.40849","0.00013","90","","90","","90","","9609.45","0.08","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C102 H89 B2 Cl F30 N4 Se2 -","- C102 H89 B2 Cl F30 N4 Se2 -","- C408 H356 B8 Cl4 F120 N16 Se8 -","4","1","","Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias","Chalcogen complexes of anionic N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13207","13217","10.1039/d0dt02392b","","","1.54184","CuKα","","0.0485","0.0479","","","0.1339","0.1346","","","","","","1.066","","","","has coordinates,has disorder","258869","2020-11-06","12:24:15",""
"7705042","17.063","0.0008","17.131","0.001","19.491","0.001","91.18","0.004","90.88","0.004","119.76","0.006","4942.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C106 H106 B2 F30 N4 O S2 -","- C106 H106 B2 F30 N4 O S2 -","- C212 H212 B4 F60 N8 O2 S4 -","2","1","","Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias","Chalcogen complexes of anionic N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13207","13217","10.1039/d0dt02392b","","","0.7107","MoKα","","0.0976","0.0821","","","0.2221","0.2285","","","","","","1.04","","","","has coordinates","258869","2020-11-06","12:24:15",""
"7705043","11.08186","0.00004","13.56275","0.00005","15.675","0.00004","101.749","0.0002","108.106","0.0003","95.1486","0.0003","2162.54","0.013","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H70 B2 F30 N4 Se2 -","- C90 H70 B2 F30 N4 Se2 -","- C90 H70 B2 F30 N4 Se2 -","1","0.5","","Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias","Chalcogen complexes of anionic N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13207","13217","10.1039/d0dt02392b","","","1.54184","CuKα","","0.0355","0.0352","","","0.0861","0.0862","","","","","","1.03","","","","has coordinates,has disorder","258869","2020-11-06","12:24:15",""
"7705044","13.18","0.0004","14.511","0.0004","16.99","0.0004","100.74","0.002","103.21","0.002","92.73","0.002","3094.17","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C61 H71 B F15 Li N2 O4 Te -","- C61 H71 B F15 Li N2 O4 Te -","- C122 H142 B2 F30 Li2 N4 O8 Te2 -","2","1","","Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias","Chalcogen complexes of anionic N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13207","13217","10.1039/d0dt02392b","","","1.5418","CuKα","","0.0436","0.0431","","","0.1179","0.1184","","","","","","1.049","","","","has coordinates","258869","2020-11-06","12:24:15",""
"7705045","10.7183","0.0001","26.7113","0.0002","25.5331","0.0003","90","","119.908","0.001","90","","6336.61","0.12","101","2","101","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C65 H75 B F15 Li N2 O5 S -","- C65 H75 B F15 Li N2 O5 S -","- C260 H300 B4 F60 Li4 N8 O20 S4 -","4","1","","Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias","Chalcogen complexes of anionic N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13207","13217","10.1039/d0dt02392b","","","1.54184","CuKα","","0.0592","0.0497","","","0.1297","0.1381","","","","","","1.02","","","","has coordinates,has disorder","258869","2020-11-06","12:24:15",""
"7705046","12.667","0.0004","14.616","0.0004","16.78","0.0004","94.15","0.002","90.65","0.002","113","0.002","2849.54","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H65 B F15 Li N2 O3 Se -","- C57 H65 B F15 Li N2 O3 Se -","- C114 H130 B2 F30 Li2 N4 O6 Se2 -","2","1","","Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias","Chalcogen complexes of anionic N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13207","13217","10.1039/d0dt02392b","","","0.7107","MoKα","","0.0808","0.0623","","","0.154","0.1671","","","","","","1.034","","","","has coordinates,has disorder","258869","2020-11-06","12:24:15",""
"7705047","10.5249","0.0006","12.2429","0.0009","18.93","0.0009","73.171","0.006","74.186","0.006","65.396","0.008","2090.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H36 B F15 N2 S -","- C45 H36 B F15 N2 S -","- C90 H72 B2 F30 N4 S2 -","2","1","","Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias","Chalcogen complexes of anionic N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13207","13217","10.1039/d0dt02392b","","","1.54184","CuKα","","0.0787","0.0542","","","0.1376","0.1517","","","","","","1.052","","","","has coordinates","258869","2020-11-06","12:24:15",""
"7705048","10.6547","0.0002","36.0847","0.0004","14.6984","0.0002","90","","109.136","0.002","90","","5338.86","0.15","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H59 B F15 Li N2 O4 -","- C57 H59 B F15 Li N2 O4 -","- C228 H236 B4 F60 Li4 N8 O16 -","4","1","","Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias","Chalcogen complexes of anionic N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13207","13217","10.1039/d0dt02392b","","","1.54184","CuKα","","0.0464","0.0438","","","0.1159","0.1177","","","","","","1.048","","","","has coordinates,has disorder","258869","2020-11-06","12:24:15",""
"7705049","10.2374","0.0002","11.4752","0.0002","20.0948","0.0004","88.932","0.002","85.317","0.002","81.974","0.002","2329.67","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H44 B F15 N2 O -","- C52 H44 B F15 N2 O -","- C104 H88 B2 F30 N4 O2 -","2","1","","Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias","Chalcogen complexes of anionic N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13207","13217","10.1039/d0dt02392b","","","0.71073","MoKα","","0.0518","0.0467","","","0.1268","0.1308","","","","","","1.025","","","","has coordinates,has disorder","258869","2020-11-06","12:24:15",""
"7705050","10.3854","0.0002","10.9362","0.0002","18.6719","0.0004","73.147","0.002","78.248","0.002","69.152","0.002","1884.72","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H59 Li N2 O3 S -","- C39 H59 Li N2 O3 S -","- C78 H118 Li2 N4 O6 S2 -","2","1","","Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias","Chalcogen complexes of anionic N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13207","13217","10.1039/d0dt02392b","","","0.71073","MoKα","","0.0432","0.0374","","","0.0976","0.1006","","","","","","1.054","","","","has coordinates","258869","2020-11-06","12:24:15",""
"7705051","23.373","0.005","13.307","0.003","20.286","0.004","90","","96.19","0.03","90","","6273","2","293","2","293.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66 H75 N3 P3 Sc -","- C66 H75 N3 P3 Sc -","- C264 H300 N12 P12 Sc4 -","4","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","","0.71076","MoKα","","0.0679","0.0639","","","0.1681","0.1728","","","","","","1.039","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705052","12.007","0.002","9.309","0.002","20.761","0.004","90","","102.63","0.03","90","","2264.4","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N P -","- C28 H30 N P -","- C112 H120 N4 P4 -","4","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","x-ray","0.71076","MoKα","","0.0654","0.0437","","","0.1169","0.1342","","","","","","1.01","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705053","23.6419","0.0017","13.4745","0.001","20.3693","0.0019","90","","96.253","0.004","90","","6450.3","0.9","273","2","273.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66 H75 Lu N3 P3 -","- C66 H75 Lu N3 P3 -","- C264 H300 Lu4 N12 P12 -","4","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","","0.71073","MoKα","","0.067","0.0647","","","0.1458","0.1476","","","","","","1.104","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705054","19.7393","0.0019","16.2623","0.0016","22.283","0.002","90","","90","","90","","7153","1.2","293","2","293.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C84 H90 N3 P4 Pd Yb -","- C84 H90 N3 P4 Pd Yb -","- C336 H360 N12 P16 Pd4 Yb4 -","4","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","","0.71073","MoKα","","0.0491","0.0331","","","0.0693","0.0751","","","","","","1.02","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705055","11.3117","0.0005","13.185","0.0006","23.763","0.0012","105.848","0.002","95.818","0.002","104.347","0.002","3248.3","0.3","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H78 N3 P3 Pd -","- C66 H78 N3 P3 Pd -","- C132 H156 N6 P6 Pd2 -","2","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","","0.71073","MoKα","","0.0951","0.0583","","","0.1325","0.1539","","","","","","1.013","","","","has coordinates,has disorder","257557","2020-10-21","18:00:00",""
"7705056","19.6769","0.001","16.1787","0.0008","22.2319","0.0011","90","","90","","90","","7077.5","0.6","273","2","273.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C84 H90 N3 P4 Pd Sc -","- C84 H90 N3 P4 Pd Sc -","- C336 H360 N12 P16 Pd4 Sc4 -","4","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","","0.71073","MoKα","","0.1041","0.0879","","","0.1556","0.1644","","","","","","1.166","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705057","19.719","0.0013","16.2376","0.001","22.2512","0.0014","90","","90","","90","","7124.6","0.8","273","2","273.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C84 H90 Lu N3 P4 Pd -","- C84 H90 Lu N3 P4 Pd -","- C336 H360 Lu4 N12 P16 Pd4 -","4","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","","0.71073","MoKα","","0.0789","0.0625","","","0.1228","0.1351","","","","","","1.052","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705058","23.614","0.005","13.421","0.003","20.275","0.004","90","","96.22","0.03","90","","6388","2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66 H75 N3 P3 Yb -","- C66 H75 N3 P3 Yb -","- C264 H300 N12 P12 Yb4 -","4","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","","0.71076","MoKα","","0.0427","0.0421","","","0.1044","0.1047","","","","","","1.114","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705059","15.7099","0.0007","16.2124","0.0008","20.5395","0.0011","90.746","0.002","97.105","0.002","92.274","0.002","5186.2","0.4","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C98 H100 N3 O P4 Pd Y -","- C98 H100 N3 O P4 Pd Y -","- C196 H200 N6 O2 P8 Pd2 Y2 -","2","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","x-ray","0.71073","MoKα","","0.1203","0.0652","","","0.1768","0.2089","","","","","","1.04","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705060","22.862","0.005","9.491","0.002","26.992","0.005","90","","90","","90","","5857","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H36 N P -","- C31 H36 N P -","- C248 H288 N8 P8 -","8","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","x-ray","0.71076","MoKα","","0.1496","0.0941","","","0.1924","0.2233","","","","","","1.028","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705061","13.746","0.0007","14.8611","0.0008","20.7806","0.0012","101.234","0.002","95.789","0.002","105.159","0.002","3966.9","0.4","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C80 H85 N3 O P3 Pd Sc -","- C80 H85 N3 O P3 Pd Sc -","- C160 H170 N6 O2 P6 Pd2 Sc2 -","2","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","","0.71073","MoKα","","0.0893","0.0556","","","0.138","0.1594","","","","","","1.048","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705062","9.4465","0.0003","9.4465","0.0003","9.4465","0.0003","90","","90","","90","","842.97","0.05","100","","100","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Ir K O3 -","- Ir K1.00067 O3 -","- Ir12 K12.008 O36 -","12","0.25","","Guo, Shu; Powderly, Kelly M.; Cava, R. J.","Synthesis, structure, and magnetism of BCC KIrO<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12018","12024","10.1039/d0dt01836h","","","0.71073","MoKα","","0.0132","0.0125","","","0.0296","0.0297","","","","","","1.293","","","","has coordinates,has disorder","256107","2020-10-21","18:00:00",""
"7705063","11.656","0.001","7.3664","0.0006","24.205","0.002","90","","103.522","0.002","90","","2020.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H23 Ag3 N2 O3 S2 -","- C13 H23 Ag3 N2 O3 S2 -","- C52 H92 Ag12 N8 O12 S8 -","4","1","","Shen, Yang-Lin; Jin, Jun-Ling; Xie, Yun-Peng; Lu, Xing","<i>tert</i>-Butyl thiol and pyridine ligand co-protected 50-nuclei clusters: the effect of pyridines on Ag-SR bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12574","12580","10.1039/d0dt02003f","","","0.71073","MoKα","","0.0308","0.0259","","","0.0637","0.0667","","","","","","1.083","","","","has coordinates","257537","2020-10-21","18:00:00",""
"7705064","12.36","0.06","13.39","0.06","14.98","0.07","70.25","0.13","82.72","0.12","89.18","0.14","2313","19","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H94 Ag10 F12 N9 O8 S6 -","- C77 H94 Ag10 F12 N9 O8 S6 -","- C77 H94 Ag10 F12 N9 O8 S6 -","1","0.5","","Shen, Yang-Lin; Jin, Jun-Ling; Xie, Yun-Peng; Lu, Xing","<i>tert</i>-Butyl thiol and pyridine ligand co-protected 50-nuclei clusters: the effect of pyridines on Ag-SR bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12574","12580","10.1039/d0dt02003f","","","0.71073","MoKα","","0.073","0.0534","","","0.1106","0.1268","","","","","","1.183","","","","has coordinates,has disorder","257537","2020-10-21","18:00:00",""
"7705065","24.5159","0.0007","24.5159","0.0007","11.1964","0.0006","90","","90","","120","","5827.8","0.4","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H78 Ag12 N18 O18 S6 -","- C48 H78 Ag12 N18 O18 S6 -","- C144 H234 Ag36 N54 O54 S18 -","3","0.166667","","Shen, Yang-Lin; Jin, Jun-Ling; Xie, Yun-Peng; Lu, Xing","<i>tert</i>-Butyl thiol and pyridine ligand co-protected 50-nuclei clusters: the effect of pyridines on Ag-SR bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12574","12580","10.1039/d0dt02003f","","","0.71073","MoKα","","0.0154","0.0144","","","0.0366","0.0369","","","","","","1.124","","","","has coordinates","257537","2020-10-21","18:00:00",""
"7705066","13.9007","0.001","20.519","0.0016","17.56","0.0013","90","","107.023","0.002","90","","4789.2","0.6","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H82 Ag12 F18 N8 O12 S6 -","- C70 H82 Ag12 F18 N8 O12 S6 -","- C140 H164 Ag24 F36 N16 O24 S12 -","2","0.5","","Shen, Yang-Lin; Jin, Jun-Ling; Xie, Yun-Peng; Lu, Xing","<i>tert</i>-Butyl thiol and pyridine ligand co-protected 50-nuclei clusters: the effect of pyridines on Ag-SR bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12574","12580","10.1039/d0dt02003f","","","0.71073","MoKα","","0.0463","0.039","","","0.0807","0.086","","","","","","1.17","","","","has coordinates,has disorder","257537","2020-10-21","18:00:00",""
"7705067","22.4694","0.001","22.3474","0.0008","17.3851","0.0007","90","","92.603","0.001","90","","8720.6","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H86 Ag12 N14 O20 S6 -","- C58 H82 Ag12 N14 O20 S6 -","- C232 H328 Ag48 N56 O80 S24 -","4","0.5","","Shen, Yang-Lin; Jin, Jun-Ling; Xie, Yun-Peng; Lu, Xing","<i>tert</i>-Butyl thiol and pyridine ligand co-protected 50-nuclei clusters: the effect of pyridines on Ag-SR bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12574","12580","10.1039/d0dt02003f","","","0.71073","MoKα","","0.0513","0.0346","","","0.0701","0.0771","","","","","","1.069","","","","has coordinates,has disorder","257537","2020-10-21","18:00:00",""
"7705068","20.8642","0.0016","22.8925","0.0018","27.241","0.002","90","","93.205","0.002","90","","12990.9","1.7","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C164 H260 Ag50 B4 F16 N16 O6 S33 -","- C164 H260 Ag50 B4 F16 N16 O6 S33 -","- C328 H520 Ag100 B8 F32 N32 O12 S66 -","2","0.5","","Shen, Yang-Lin; Jin, Jun-Ling; Xie, Yun-Peng; Lu, Xing","<i>tert</i>-Butyl thiol and pyridine ligand co-protected 50-nuclei clusters: the effect of pyridines on Ag-SR bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12574","12580","10.1039/d0dt02003f","","","0.71073","MoKα","","0.0563","0.041","","","0.0862","0.0978","","","","","","1.129","","","","has coordinates,has disorder","257537","2020-10-21","18:00:00",""
"7705069","9.7898","0.0006","13.7846","0.0009","27.4465","0.0018","102.725","0.002","90.442","0.002","110.737","0.002","3363.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H20.5 Bi2 Cl4 N5.5 O4 -","- C32 H20.5 Bi2 Cl4 N5.5 O4 -","- C128 H82 Bi8 Cl16 N22 O16 -","4","2","","Adcock, Alyssa K.; Ayscue, 3rd, R Lee; Breuer, Leticia M.; Verwiel, Chloe P.; Marwitz, Alexander C.; Bertke, Jeffery A.; Vallet, Valérie; Réal, Florent; Knope, Karah E.","Synthesis and photoluminescence of three bismuth(III)-organic compounds bearing heterocyclic N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11756","11771","10.1039/d0dt02360d","","","0.71073","MoKα","","0.0425","0.027","","","0.0589","0.0627","","","","","","1.076","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7705070","9.6115","0.0003","31.7985","0.001","7.5977","0.0002","90","","109.328","0.001","90","","2191.22","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Bi Cl3 N4 -","- C24 H16 Bi Cl3 N4 -","- C96 H64 Bi4 Cl12 N16 -","4","1","","Adcock, Alyssa K.; Ayscue, 3rd, R Lee; Breuer, Leticia M.; Verwiel, Chloe P.; Marwitz, Alexander C.; Bertke, Jeffery A.; Vallet, Valérie; Réal, Florent; Knope, Karah E.","Synthesis and photoluminescence of three bismuth(III)-organic compounds bearing heterocyclic N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11756","11771","10.1039/d0dt02360d","","","0.71073","MoKα","","0.0173","0.0152","","","0.0313","0.0317","","","","","","1.168","","","","has coordinates","256075","2020-10-21","18:00:00",""
"7705071","12.7368","0.0006","9.4838","0.0004","13.6313","0.0006","90","","102.088","0.001","90","","1610.06","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 Bi2 Cl6 N6 -","- C30 H22 Bi2 Cl6 N6 -","- C60 H44 Bi4 Cl12 N12 -","2","0.5","","Adcock, Alyssa K.; Ayscue, 3rd, R Lee; Breuer, Leticia M.; Verwiel, Chloe P.; Marwitz, Alexander C.; Bertke, Jeffery A.; Vallet, Valérie; Réal, Florent; Knope, Karah E.","Synthesis and photoluminescence of three bismuth(III)-organic compounds bearing heterocyclic N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11756","11771","10.1039/d0dt02360d","","","0.71073","MoKα","","0.0279","0.0247","","","0.0619","0.0635","","","","","","1.099","","","","has coordinates","256075","2020-10-21","18:00:00",""
"7705072","10.3807","0.0004","10.4296","0.0004","11.1541","0.0004","90","","90","","90","","1207.62","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C56 H44 N12 O4 -","4","1","","Mo, Xiu-Fang; Xiong, Chang-Feng; Chen, Ze-Wen; Liu, Chao; He, Piao; Tong, Hai-Xia; Yi, Xiao-Yi","Zinc complexes supported by pyridine-<i>N</i>-oxide ligands: synthesis, structures and catalytic Michael addition reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12365","12371","10.1039/d0dt00185f","","","0.71073","MoKα","","0.0289","0.026","","","0.0722","0.074","","","","","","1.043","","","","has coordinates","257551","2020-10-21","18:00:00",""
"7705073","12.8301","0.0009","16.4771","0.0011","37.538","0.003","90","","90","","90","","7935.6","1","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C32 H28 Cl8 N6 O4 Zn -","- C32 H28 Cl8 N6 O4 Zn -","- C256 H224 Cl64 N48 O32 Zn8 -","8","0.25","","Mo, Xiu-Fang; Xiong, Chang-Feng; Chen, Ze-Wen; Liu, Chao; He, Piao; Tong, Hai-Xia; Yi, Xiao-Yi","Zinc complexes supported by pyridine-<i>N</i>-oxide ligands: synthesis, structures and catalytic Michael addition reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12365","12371","10.1039/d0dt00185f","","","0.71073","MoKα","","0.1575","0.0783","","","0.1904","0.2155","","","","","","1.147","","","","has coordinates,has disorder","257551","2020-10-21","18:00:00",""
"7705074","31.092","0.003","17.2866","0.0016","9.3852","0.0009","90","","92.426","0.006","90","","5039.8","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56.5 H42 Cl N12 O4 Zn2 -","- C56.5 H42 Cl N12 O4 Zn2 -","- C226 H168 Cl4 N48 O16 Zn8 -","4","0.5","","Mo, Xiu-Fang; Xiong, Chang-Feng; Chen, Ze-Wen; Liu, Chao; He, Piao; Tong, Hai-Xia; Yi, Xiao-Yi","Zinc complexes supported by pyridine-<i>N</i>-oxide ligands: synthesis, structures and catalytic Michael addition reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12365","12371","10.1039/d0dt00185f","","","0.71073","MoKα","","0.2148","0.0703","","","0.1489","0.1806","","","","","","0.893","","","","has coordinates","257551","2020-10-21","18:00:00",""
"7705075","16.0485","0.0005","8.2154","0.0002","22.2672","0.0006","90","","90","","90","","2935.82","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N3 O5 -","- C14 H17 N3 O5 -","- C112 H136 N24 O40 -","8","1","","Mo, Xiu-Fang; Xiong, Chang-Feng; Chen, Ze-Wen; Liu, Chao; He, Piao; Tong, Hai-Xia; Yi, Xiao-Yi","Zinc complexes supported by pyridine-<i>N</i>-oxide ligands: synthesis, structures and catalytic Michael addition reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12365","12371","10.1039/d0dt00185f","","","0.71073","MoKα","","0.1417","0.0793","","","0.1896","0.209","","","","","","1.046","","","","has coordinates","257551","2020-10-21","18:00:00",""
"7705076","30.8691","0.0006","30.8691","0.0006","14.8152","0.0004","90","","90","","120","","12226","0.5","150","2","150","2","","","","","","","","7","R 3 m :H","R 3 -2""","160","","","","- C6 H121 Na17 O162 Sb3 Tb3 W28 -","- C6 Na9 O154 Sb3 Tb3 W28 -","- C18 Na27 O462 Sb9 Tb9 W84 -","3","0.166667","","Xu, Xin; Lu, Changtong; Xie, Saisai; Chen, Lijuan; Zhao, Junwei","A trimeric tri-Tb<sup>3+</sup> including antimonotungstate and its Eu<sup>3+</sup>/Tb<sup>3+</sup>/Dy<sup>3+</sup>/Gd<sup>3+</sup>-codoped species with luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12401","12410","10.1039/d0dt01985b","","","0.71073","MoKα","","0.0627","0.0589","","","0.1556","0.1595","","","","","","1.081","","","","has coordinates","257568","2020-10-21","18:00:00",""
"7705077","19.1551","0.0003","19.1551","0.0003","19.1551","0.0003","90","","90","","90","","7028.35","0.19","293","2","293","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C112 H86 Cl3 Mn10 N86 O27 -","- C103.006 H86.0016 Cl3 Mn10 N79.0056 O24 -","- C103.006 H86.0016 Cl3 Mn10 N79.0056 O24 -","1","0.0208333","","Wang, Jun; Deng, Shu-Qi; Zhao, Ting-Ting; Zheng, Sheng-Run; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","A Mn(II)-MOF with inherent missing metal-ion defects based on an imidazole-tetrazole tripodal ligand and its application in supercapacitors.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12150","12155","10.1039/d0dt01666g","","","0.71073","MoKα","","0.079","0.0639","","","0.1899","0.2022","","","","","","1.073","","","","has coordinates,has disorder","257558","2020-10-21","18:00:00",""
"7705078","11.504","0.001","10.129","0.001","7.604","0.001","90","","123.29","0.01","90","","740.65","0.16","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","silver(I) p-isocyanobenzoate","silver(I) p-isocyanobenzoate","","- C32 Ag4 N4 O7 -","- C8 Ag N1.114 O1.772 -","- C32 Ag4 N4.456 O7.088 -","4","0.5","","Reguera, Leslie; Cano, Arely; Rodríguez-Hernández, Joelis; Rivera, Daniel G.; Van der Eycken, Erik V.; Ramírez-Rosales, Daniel; Reguera, Edilso","Cu<sup>I</sup>Cu<sup>II</sup> and Ag<sup>I</sup><i>p</i>-isocyanobenzoates as novel 1D semiconducting coordination oligomers.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12432","12440","10.1039/d0dt02461a","powder diffraction","","1.54184","CuKα","","","","","","","","","4.57","2.1","","","","","","","has coordinates","257556","2020-10-21","18:00:00",""
"7705079","9.9233","0.0007","30.274","0.002","8.5537","0.0006","90","","90","","90","","2569.7","0.3","273","2","273","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Ag K S3 Sn -","- Ag K S3 Sn -","- Ag16 K16 S48 Sn16 -","16","1","","Li, Yanhua; Song, Xuedan; Liu, Yan; Guo, Yongkang; Sun, Yu; Ji, Min; You, Zhonglu; An, Yonglin","Syntheses, structures, and photocatalytic properties of open-framework Ag-Sn-S compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11708","11714","10.1039/d0dt02513e","","","0.71073","MoKα","","0.0483","0.0449","","","0.134","0.154","","","","","","1.19","","","","has coordinates","256082","2020-10-21","18:00:00",""
"7705080","6.011","0.002","11.876","0.004","14.133","0.006","90","","90","","90","","1008.9","0.6","273","2","273","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- Ag4 Cs4 S8 Sn2 -","- Ag4 Cs4 S8 Sn2 -","- Ag8 Cs8 S16 Sn4 -","2","0.125","","Li, Yanhua; Song, Xuedan; Liu, Yan; Guo, Yongkang; Sun, Yu; Ji, Min; You, Zhonglu; An, Yonglin","Syntheses, structures, and photocatalytic properties of open-framework Ag-Sn-S compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11708","11714","10.1039/d0dt02513e","","","0.71073","MoKα","","0.0747","0.0648","","","0.1546","0.1625","","","","","","1.082","","","","has coordinates,has disorder","256082","2020-10-21","18:00:00",""
"7705081","11.5295","0.0015","26.953","0.004","5.8483","0.0008","90","","90","","90","","1817.4","0.4","296","2","296","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- Ag2 K2 S4 Sn -","- Ag2 K2 S4 Sn -","- Ag16 K16 S32 Sn8 -","8","0.5","","Li, Yanhua; Song, Xuedan; Liu, Yan; Guo, Yongkang; Sun, Yu; Ji, Min; You, Zhonglu; An, Yonglin","Syntheses, structures, and photocatalytic properties of open-framework Ag-Sn-S compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11708","11714","10.1039/d0dt02513e","","","0.71073","MoKα","","0.0654","0.0613","","","0.2299","0.2396","","","","","","1.222","","","","has coordinates,has disorder","256082","2020-10-21","18:00:00",""
"7705082","11.6787","0.0018","27.526","0.004","5.9472","0.0009","90","","90","","90","","1911.8","0.5","296","2","296","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- Ag8 Rb8 S16 Sn4 -","- Ag8 Rb8 S16 Sn4 -","- Ag16 Rb16 S32 Sn8 -","2","0.125","","Li, Yanhua; Song, Xuedan; Liu, Yan; Guo, Yongkang; Sun, Yu; Ji, Min; You, Zhonglu; An, Yonglin","Syntheses, structures, and photocatalytic properties of open-framework Ag-Sn-S compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11708","11714","10.1039/d0dt02513e","","","0.71073","MoKα","","0.0913","0.0799","","","0.183","0.2114","","","","","","1.011","","","","has coordinates,has disorder","256082","2020-10-21","18:00:00",""
"7705083","11.1","0.005","7.819","0.004","11.543","0.006","90","","108.248","0.005","90","","951.4","0.8","273","2","273","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- K2 S5 Sn2 -","- K2 S5 Sn2 -","- K8 S20 Sn8 -","4","0.5","","Li, Yanhua; Song, Xuedan; Liu, Yan; Guo, Yongkang; Sun, Yu; Ji, Min; You, Zhonglu; An, Yonglin","Syntheses, structures, and photocatalytic properties of open-framework Ag-Sn-S compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11708","11714","10.1039/d0dt02513e","","","0.71073","MoKα","","0.0553","0.0545","","","0.1488","0.1503","","","","","","1.124","","","","has coordinates","256082","2020-10-21","18:00:00",""
"7705084","12.094","0.003","12.497","0.003","22.902","0.006","83.617","0.01","85.056","0.011","75.959","0.009","3330.8","1.5","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H82 O4 S4 Sn -","- C75 H82 O4 S4 Sn -","- C150 H164 O8 S8 Sn2 -","2","1","","Kuriki, Ryunosuke; Kuwabara, Takuya; Ishii, Youichi","Synthesis and structures of diaryloxystannylenes and -plumbylenes embedded in 1,3-diethers of thiacalix[4]arene.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12234","12241","10.1039/d0dt02496a","","","0.71075","MoKα","","0.1081","0.0851","","","0.1655","0.1827","","","","","","1.098","","","","has coordinates,has disorder","257569","2020-10-21","18:00:00",""
"7705085","13.4391","0.0008","13.7334","0.0007","20.3149","0.001","71.319","0.003","77.604","0.003","77.966","0.003","3429.3","0.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C131 H208 O8 Pb2 S8 Si4 -","- C131 H208 O8 Pb2 S8 Si4 -","- C131 H208 O8 Pb2 S8 Si4 -","1","0.5","","Kuriki, Ryunosuke; Kuwabara, Takuya; Ishii, Youichi","Synthesis and structures of diaryloxystannylenes and -plumbylenes embedded in 1,3-diethers of thiacalix[4]arene.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12234","12241","10.1039/d0dt02496a","","","0.71075","MoKα","","0.0309","0.0271","","","0.0674","0.0683","","","","","","1.06","","","","has coordinates,has disorder","257569","2020-10-21","18:00:00",""
"7705086","13.377","0.0012","17.7497","0.0015","25.887","0.002","90","","102.696","0.002","90","","5996.3","0.9","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H86 O4 S4 Si2 Sn -","- C58 H86 O4 S4 Si2 Sn -","- C232 H344 O16 S16 Si8 Sn4 -","4","1","","Kuriki, Ryunosuke; Kuwabara, Takuya; Ishii, Youichi","Synthesis and structures of diaryloxystannylenes and -plumbylenes embedded in 1,3-diethers of thiacalix[4]arene.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12234","12241","10.1039/d0dt02496a","","","0.71075","MoKα","","0.0445","0.0372","","","0.0856","0.0899","","","","","","1.118","","","","has coordinates","257569","2020-10-21","18:00:00",""
"7705087","22.413","0.003","20.959","0.002","12.5139","0.0014","90","","108.646","0.001","90","","5569.9","1.1","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61 H66 O4 Pb S4 -","- C61 H66 O4 Pb S4 -","- C244 H264 O16 Pb4 S16 -","4","0.5","","Kuriki, Ryunosuke; Kuwabara, Takuya; Ishii, Youichi","Synthesis and structures of diaryloxystannylenes and -plumbylenes embedded in 1,3-diethers of thiacalix[4]arene.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12234","12241","10.1039/d0dt02496a","","","0.71075","MoKα","","0.0366","0.0319","","","0.0669","0.0695","","","","","","1.117","","","","has coordinates,has disorder","257569","2020-10-21","18:00:00",""
"7705088","13.51","0.002","15.106","0.002","16.04","0.002","79.593","0.005","81.074","0.004","89.23","0.006","3180.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H96 O5 S4 Si2 -","- C62 H96 O5 S4 Si2 -","- C124 H192 O10 S8 Si4 -","2","1","","Kuriki, Ryunosuke; Kuwabara, Takuya; Ishii, Youichi","Synthesis and structures of diaryloxystannylenes and -plumbylenes embedded in 1,3-diethers of thiacalix[4]arene.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12234","12241","10.1039/d0dt02496a","","","0.71075","MoKα","","0.0862","0.0598","","","0.1317","0.1488","","","","","","1.083","","","","has coordinates","257569","2020-10-21","18:00:00",""
"7705089","24.4203","0.0005","27.623","0.0004","24.4269","0.0006","90","","111.175","0.002","90","","15364.9","0.6","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C96 H48 Mo24 N16 O108 Si2 Zn8 -","- C96 H48 Mo24 N16 O108 Si2 Zn8 -","- C192 H96 Mo48 N32 O216 Si4 Zn16 -","2","0.25","","You, Ming-Hua; Li, Meng-Hua; Liu, Jing-Yan; Lin, Mei-Jin","Impact of diffusion methods and metal cations on photochromic three-component D-A hybrid heterostructures.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12411","12417","10.1039/d0dt02532a","","x-ray","1.3405","GaKα","","0.1597","0.1352","","","0.3902","0.4139","","","","","","1.602","","","","has coordinates","257563","2020-10-21","18:00:00",""
"7705090","19.8634","0.0012","19.8634","0.0012","39.282","0.009","90","","90","","90","","15499","4","293","2","293","2","","","","","","","","7","I 41/a m d :2","-I 4bd 2","141","","","","- C48 H24 Cd2 Mo12 N8 O52 Si -","- C48 H24 Cd2 Mo12 N8 O52 Si -","- C192 H96 Cd8 Mo48 N32 O208 Si4 -","4","0.125","","You, Ming-Hua; Li, Meng-Hua; Liu, Jing-Yan; Lin, Mei-Jin","Impact of diffusion methods and metal cations on photochromic three-component D-A hybrid heterostructures.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12411","12417","10.1039/d0dt02532a","","x-ray","0.71073","MoKα","","0.1297","0.0985","","","0.2675","0.2965","","","","","","1.023","","","","has coordinates,has disorder","257563","2020-10-21","18:00:00",""
"7705091","20.9093","0.0017","23.0191","0.0007","23.6904","0.001","90","","99.755","0.005","90","","11237.6","1.1","100","2","100","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C212.67 H266.02 Ca F20 N18 Na2 O17 Ti8 -","- C198.756 H237.268 Ca F20 N11 Na2 O17 Ti8 -","- C397.512 H474.536 Ca2 F40 N22 Na4 O34 Ti16 -","2","0.5","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","0.71073","MoKα","","0.2808","0.1153","","","0.3046","0.3987","","","","","","0.958","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705092","21.02305","0.0001","17.27686","0.00008","29.70228","0.00014","90","","102.551","0.0005","90","","10530.4","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H128 Br4 N8 O10 Ti4 -","- C104 H128 Br4 N8 O10 Ti4 -","- C416 H512 Br16 N32 O40 Ti16 -","4","1","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","1.54178","CuKα","","0.0372","0.0357","","","0.0941","0.095","","","","","","1.038","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705093","18.7623","0.0003","19.3331","0.0003","26.9512","0.0003","90","","90","","90","","9776.1","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C95 H114.5 Cl4 N3.5 O10 Ti4 -","- C95 H114.5 Cl4 N3.5 O10 Ti4 -","- C380 H458 Cl16 N14 O40 Ti16 -","4","1","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","1.54178","CuKα","","0.0763","0.0632","","","0.169","0.1803","","","","","","1.018","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705094","12.7071","0.0004","24.5925","0.0004","25.2999","0.0007","104.399","0.002","96.177","0.002","91.761","0.002","7599.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C151 H188.5 Cl6 N9.5 O13 Ti4 -","- C149 H183.5 Cl6 N8.5 O13 Ti4 -","- C298 H367 Cl12 N17 O26 Ti8 -","2","1","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","1.54178","CuKα","","0.1957","0.1257","","","0.3231","0.3796","","","","","","1.032","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705095","11.1401","0.0002","15.0059","0.00015","16.5752","0.0003","104.261","0.0012","93.0977","0.0015","98.7122","0.0013","2642.36","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H138 Cl4 N6 O12 Ti4 -","- C108 H138 Cl4 N6 O12 Ti4 -","- C108 H138 Cl4 N6 O12 Ti4 -","1","0.5","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","1.54178","CuKα","","0.0698","0.0665","","","0.1871","0.1904","","","","","","1.045","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705096","16.4524","0.0003","12.3781","0.0002","18.0939","0.0003","90","","90","","90","","3684.81","0.11","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C36 H58 Br2 O2 Ti -","- C36 H58 Br2 O2 Ti -","- C144 H232 Br8 O8 Ti4 -","4","0.5","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","0.71073","MoKα","","0.0291","0.0273","","","0.0677","0.0686","","","","","","1.054","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705097","21.5584","0.0002","26.9199","0.0003","21.6443","0.0002","90","","95.7763","0.0007","90","","12497.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C113 H145.5 Br6 N12.5 O9 Ti3 -","- C106 H127 Br6 N9 O9 Ti3 -","- C424 H508 Br24 N36 O36 Ti12 -","4","1","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","1.54178","CuKα","","0.1066","0.0907","","","0.2771","0.2932","","","","","","1.04","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705098","24.7656","0.0007","22.6045","0.0005","24.6564","0.0006","90","","90.923","0.002","90","","13801.2","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C145 H177.5 F6 N6.5 O12 Ti4 -","- C142 H173 F6 N5 O12 Ti4 -","- C568 H692 F24 N20 O48 Ti16 -","4","0.5","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","0.71073","MoKα","","0.1448","0.083","","","0.2023","0.2446","","","","","","1.071","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705099","29.2721","0.0004","9.52188","0.00014","43.6988","0.0006","90","","103.073","0.0013","90","","11864.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C99.25 H124.5 Cl14.5 I4 N2 O10 Ti4 -","- C98 H122 Cl12 I4 N2 O10 Ti4 -","- C392 H488 Cl48 I16 N8 O40 Ti16 -","4","1","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","1.54178","CuKα","","0.1149","0.0986","","","0.2616","0.2746","","","","","","1.042","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705100","23.4034","0.0004","22.4883","0.0003","37.6555","0.0007","90","","100.267","0.002","90","","19500.9","0.6","100","2","100","2","","","","","","","acetonitrile","8","P 1 21/c 1","-P 2ybc","14","","","","- C194 H235 Ca F20 N9 Na2 O16 Ti8 -","- C186 H223 Ca F20 N5 Na2 O16 Ti8 -","- C744 H892 Ca4 F80 N20 Na8 O64 Ti32 -","4","1","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","1.54178","CuKα","","0.1716","0.0839","","","0.2158","0.2663","","","","","","1.017","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705101","18.0637","0.0002","20.6914","0.0003","31.562","0.0002","103.45","0.0009","97.229","0.0008","99.0055","0.0011","11168.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C212 H268 Cl10 N18 O20 Ti7 -","- C196 H237 Cl10 N10 O20 Ti7 -","- C392 H474 Cl20 N20 O40 Ti14 -","2","1","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","1.54178","CuKα","","0.1123","0.0775","","","0.2159","0.2416","","","","","","1.058","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705102","20.3323","0.0002","28.788","0.0003","36.5201","0.0003","96.9496","0.0008","99.4528","0.0009","97.6499","0.0009","20673.9","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C388 H470 F40 N18 Na8 O32 Ti16 -","- C386 H467 F40 N17 Na1.995 O32 Ti16 -","- C772 H934 F80 N34 Na3.99 O64 Ti32 -","2","1","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","1.54178","CuKα","","0.1374","0.0986","","","0.2816","0.3205","","","","","","1.033","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705103","19.2467","0.0007","15.3525","0.0005","23.2322","0.0008","90","","90","","90","","6864.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C68 H104 Cl2 Dy2 N4 O4 -","- C68 H104 Cl2 Dy2 N4 O4 -","- C272 H416 Cl8 Dy8 N16 O16 -","4","0.5","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Single-molecule magnet behavior in heterolopetic Dy<sup>3+</sup>-chloro-diazabutadiene complexes: influence of the nuclearity and ligand redox state.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11890","11901","10.1039/d0dt02305a","","","0.71073","MoKα","","0.0295","0.0211","","","0.0451","0.048","","","","","","1.057","","","","has coordinates,has disorder","256117","2020-10-21","18:00:00",""
"7705104","10.1402","0.0006","19.7105","0.001","18.548","0.001","90","","105.411","0.0012","90","","3573.9","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 Cl2 Dy N2 O2 -","- C34 H52 Cl2 Dy N2 O2 -","- C136 H208 Cl8 Dy4 N8 O8 -","4","1","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Single-molecule magnet behavior in heterolopetic Dy<sup>3+</sup>-chloro-diazabutadiene complexes: influence of the nuclearity and ligand redox state.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11890","11901","10.1039/d0dt02305a","","","0.71073","MoKα","","0.0287","0.0224","","","0.0485","0.0509","","","","","","1.022","","","","has coordinates","256117","2020-10-21","18:00:00",""
"7705105","15.3844","0.0006","16.0197","0.0007","15.8221","0.0007","90","","109.781","0.001","90","","3669.3","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H116 Cl2 Dy2 N4 O4.5 -","- C74 H116 Cl2 Dy2 N4 O4.5 -","- C148 H232 Cl4 Dy4 N8 O9 -","2","0.5","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Single-molecule magnet behavior in heterolopetic Dy<sup>3+</sup>-chloro-diazabutadiene complexes: influence of the nuclearity and ligand redox state.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11890","11901","10.1039/d0dt02305a","","","0.71073","MoKα","","0.0429","0.0272","","","0.0559","0.0619","","","","","","1.009","","","","has coordinates,has disorder","256117","2020-10-21","18:00:00",""
"7705106","13.6988","0.0002","17.3825","0.0003","15.4968","0.0003","90","","90.143","0.002","90","","3690.08","0.11","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H55 Cl2 Dy N2 O2 -","- C36 H55 Cl2 Dy N2 O2 -","- C144 H220 Cl8 Dy4 N8 O8 -","4","2","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Single-molecule magnet behavior in heterolopetic Dy<sup>3+</sup>-chloro-diazabutadiene complexes: influence of the nuclearity and ligand redox state.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11890","11901","10.1039/d0dt02305a","","","0.71073","MoKα","","0.035","0.0303","","","0.0688","0.0711","","","","","","1.018","","","","has coordinates,has disorder","256117","2020-10-21","18:00:00",""
"7705107","8.6381","0.0001","13.512","0.0002","10.6681","0.0001","90","","91.223","0.001","90","","1244.88","0.03","173","1","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 N14 O4 -","- C4 H12 N14 O4 -","- C16 H48 N56 O16 -","4","1","","Chinnam, Ajay Kumar; Yu, Qiong; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Azo- and methylene-bridged mixed azoles for stable and insensitive energetic applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11498","11503","10.1039/d0dt02223c","","","1.54178","CuKα","","0.0401","0.0331","","","0.0837","0.0885","","","","","","1.041","","","","has coordinates","256069","2020-10-21","18:00:00",""
"7705108","4.2376","0.0003","7.3733","0.0005","15.1316","0.001","96.429","0.003","94.148","0.003","96.09","0.003","465.46","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H8 N10 O3 -","- C4 H8 N10 O3 -","- C8 H16 N20 O6 -","2","1","","Chinnam, Ajay Kumar; Yu, Qiong; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Azo- and methylene-bridged mixed azoles for stable and insensitive energetic applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11498","11503","10.1039/d0dt02223c","","","1.54178","CuKα","","0.042","0.0402","","","0.1059","0.109","","","","","","1.07","","","","has coordinates","256069","2020-10-21","18:00:00",""
"7705109","12.1573","0.0003","16.6275","0.0004","13.0547","0.0004","90","","100.079","0.003","90","","2598.22","0.12","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H40 N2 S -","- C29 H40 N2 S -","- C116 H160 N8 S4 -","4","1","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","1.54184","CuKα","","0.0443","0.0359","","","0.09","0.0957","","","","","","1.033","","","","has coordinates","256109","2020-10-21","18:00:00",""
"7705110","13.9143","0.0008","9.1573","0.0004","12.6229","0.0007","90","","114.545","0.007","90","","1463.04","0.16","100.16","0.1","100.16","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N2 S -","- C15 H24 N2 S -","- C60 H96 N8 S4 -","4","1","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","1.54184","CuKα","","0.0711","0.0438","","","0.0904","0.1026","","","","","","1.065","","","","has coordinates","256109","2020-10-21","18:00:00",""
"7705111","9.9301","0.0003","10.516","0.0004","17.0134","0.0004","79.757","0.002","73.61","0.002","74.505","0.003","1632.36","0.09","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H42 Au Cl3 N2 Se -","- C30 H42 Au Cl3 N2 Se -","- C60 H84 Au2 Cl6 N4 Se2 -","2","1","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","0.71073","MoKα","","0.0324","0.027","","","0.0548","0.0574","","","","","","1.025","","","","has coordinates,has disorder","256109","2020-10-21","18:00:00",""
"7705112","10.4151","0.0001","25.5169","0.0002","12.1509","0.0001","90","","110.771","0.001","90","","3019.35","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H80 Cl6 Cu2 N4 Se2 -","- C56 H80 Cl6 Cu2 N4 Se2 -","- C112 H160 Cl12 Cu4 N8 Se4 -","2","1","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","1.54184","CuKα","","0.0376","0.0348","","","0.0873","0.0897","","","","","","1.042","","","","has coordinates","256109","2020-10-21","18:00:00",""
"7705113","9.7146","0.0006","11.1573","0.0007","11.6057","0.0007","62.337","0.006","74.688","0.005","66.627","0.006","1017.76","0.13","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H52 Ag2 Cl2 N4 Se2 -","- C42 H52 Ag2 Cl2 N4 Se2 -","- C42 H52 Ag2 Cl2 N4 Se2 -","1","0.5","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","0.71073","MoKα","","0.0318","0.0263","","","0.0571","0.0601","","","","","","1.04","","","","has coordinates","256109","2020-10-21","18:00:00",""
"7705114","8.5955","0.0002","9.2596","0.0002","19.3041","0.0004","101.611","0.002","94.598","0.002","107.181","0.002","1421.74","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H40 Cl Cu N2 Se -","- C29 H40 Cl Cu N2 Se -","- C58 H80 Cl2 Cu2 N4 Se2 -","2","1","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","0.71073","MoKα","","0.0589","0.0388","","","0.0758","0.0849","","","","","","1.036","","","","has coordinates","256109","2020-10-21","18:00:00",""
"7705115","7.16904","0.00012","20.9451","0.0004","28.7144","0.0004","90","","90","","90","","4311.65","0.12","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H64 Au2 Cl2 N4 Se2 -","- C46 H64 Au2 Cl2 N4 Se2 -","- C184 H256 Au8 Cl8 N16 Se8 -","4","1","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","1.54184","CuKα","","0.0472","0.0396","","","0.0918","0.0965","","","","","","1.032","","","","has coordinates","256109","2020-10-21","18:00:00",""
"7705116","12.0893","0.0005","16.9648","0.0008","13.0385","0.0005","90","","100.14","0.004","90","","2632.3","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H40 N2 Se -","- C29 H40 N2 Se -","- C116 H160 N8 Se4 -","4","1","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","1.54184","CuKα","","0.0753","0.0522","","","0.1252","0.1384","","","","","","1.053","","","","has coordinates","256109","2020-10-21","18:00:00",""
"7705117","10.4825","0.0002","25.6926","0.0004","12.1018","0.0002","90","","110.519","0.002","90","","3052.51","0.1","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H80 Ag2 Cl6 N4 Se2 -","- C56 H80 Ag2 Cl6 N4 Se2 -","- C112 H160 Ag4 Cl12 N8 Se4 -","2","1","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","0.71073","MoKα","","0.0299","0.0264","","","0.0557","0.0572","","","","","","1.021","","","","has coordinates","256109","2020-10-21","18:00:00",""
"7705118","10.3254","0.0002","21.5923","0.0004","13.502","0.0003","90","","90.016","0.002","90","","3010.26","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H70 Au2 Cl8 N4 Se2 -","- C55 H70 Au2 Cl8 N4 Se2 -","- C110 H140 Au4 Cl16 N8 Se4 -","2","0.5","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","0.71073","MoKα","","0.0383","0.0295","","","0.057","0.061","","","","","","1.041","","","","has coordinates","256109","2020-10-21","18:00:00",""
"7705119","13.5976","0.0003","14.8217","0.0003","19.8001","0.0005","90","","107.901","0.003","90","","3797.32","0.16","100","0.1","100","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C15 H24 Au Cl N2 Se -","- C15 H24 Au Cl N2 Se -","- C120 H192 Au8 Cl8 N16 Se8 -","8","1","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","0.71073","MoKα","","0.0205","0.0173","","","0.0351","0.0361","","","","","","1.032","","","","has coordinates","256109","2020-10-21","18:00:00",""
"7705120","6.2054","0.0003","10.1555","0.0005","16.7307","0.0009","83.35","0.004","80.041","0.004","76.055","0.004","1004.82","0.09","99.97","0.1","99.97","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C48 H52 N4 O8 -","2","1","","Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R.","Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12009","12017","10.1039/d0dt02437f","","","1.54184","CuKα","","0.0876","0.0596","","","0.1275","0.1361","","","","","","0.921","","","","has coordinates","256110","2020-10-21","18:00:00",""
"7705121","14.9191","0.0002","7.4925","0.0001","13.0292","0.0002","90","","94.062","0.001","90","","1452.76","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R.","Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12009","12017","10.1039/d0dt02437f","","","1.54184","CuKα","","0.035","0.0334","","","0.0841","0.0853","","","","","","1.048","","","","has coordinates","256110","2020-10-21","18:00:00",""
"7705122","13.01","0.0003","16.0496","0.0004","9.7656","0.0002","90","","104.61","0.003","90","","1973.17","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 N2 O6 -","- C22 H26 N2 O6 -","- C88 H104 N8 O24 -","4","0.5","","Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R.","Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12009","12017","10.1039/d0dt02437f","","","1.54184","CuKα","","0.04","0.0372","","","0.1113","0.114","","","","","","0.857","","","","has coordinates","256110","2020-10-21","18:00:00",""
"7705123","15.669","0.0004","12.03113","0.00018","14.5509","0.0004","90","","113.929","0.003","90","","2507.3","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cu N2 O7 -","- C25 H32 Cu N2 O7 -","- C100 H128 Cu4 N8 O28 -","4","1","","Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R.","Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12009","12017","10.1039/d0dt02437f","","","1.54184","CuKα","","0.0675","0.0577","","","0.1636","0.172","","","","","","1.066","","","","has coordinates","256110","2020-10-21","18:00:00",""
"7705124","34.5163","0.0004","32.031","0.0003","12.8356","0.0002","90","","96.403","0.001","90","","14102.4","0.3","100.01","0.15","100.01","0.15","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 Li4 N4 O12.5 -","- C44 H40 Li4 N4 O12.5 -","- C352 H320 Li32 N32 O100 -","8","1","","Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R.","Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12009","12017","10.1039/d0dt02437f","","","1.54184","CuKα","","0.1128","0.0887","","","0.2501","0.2707","","","","","","1.071","","","","has coordinates,has disorder","256110","2020-10-21","18:00:00",""
"7705125","11.2609","0.0004","6.7138","0.0003","25.8248","0.0008","90","","90","","90","","1952.44","0.13","100.02","0.1","100.02","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H26.42 N2 O2.21 -","- C24 H26.422 N2 O2.211 -","- C96 H105.688 N8 O8.844 -","4","0.5","","Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R.","Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12009","12017","10.1039/d0dt02437f","","","1.54184","CuKα","","0.053","0.0416","","","0.1078","0.1172","","","","","","1.048","","","","has coordinates","256110","2020-10-21","18:00:00",""
"7705126","30.2657","0.0013","10.5305","0.0004","7.1124","0.0003","90","","90","","90","","2266.81","0.16","100.01","0.1","100.01","0.1","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C24 H28 N2 O6 Zn -","- C24 H28 N2 O6 Zn -","- C96 H112 N8 O24 Zn4 -","4","0.5","","Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R.","Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12009","12017","10.1039/d0dt02437f","","","1.54184","CuKα","","0.0603","0.0558","","","0.1494","0.1599","","","","","","1.048","","","","has coordinates","256110","2020-10-21","18:00:00",""
"7705127","6.7879","0.0003","8.9771","0.0004","12.624","0.0007","80.567","0.004","89.039","0.004","82.821","0.004","752.9","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N O4 -","- C18 H21 N O4 -","- C36 H42 N2 O8 -","2","1","","Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R.","Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12009","12017","10.1039/d0dt02437f","","","1.54184","CuKα","","0.0521","0.0432","","","0.1124","0.1192","","","","","","1.066","","","","has coordinates","256110","2020-10-21","18:00:00",""
"7705128","34.2864","0.0003","32.1058","0.0003","31.5037","0.0002","90","","95.165","0.001","90","","34538.2","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C235 H200 Li18 N24 O55 -","- C235 H200 Li18 N24 O55 -","- C940 H800 Li72 N96 O220 -","4","1","","Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R.","Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12009","12017","10.1039/d0dt02437f","","","1.54184","CuKα","","0.1524","0.1443","","","0.4014","0.4366","","","","","","1.122","","","","has coordinates,has disorder","256110","2020-10-21","18:00:00",""
"7705129","34.215","0.0003","32.1745","0.0003","50.1707","0.0004","90","","94.786","0.001","90","","55037.9","0.8","99.95","0.18","99.95","0.18","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C191 H159 Li16 N18 O43 -","- C190 H158.791 Li16 N20 O43 -","- C1520 H1270.33 Li128 N160 O344 -","8","1","","Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R.","Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12009","12017","10.1039/d0dt02437f","","","1.54184","CuKα","","0.2112","0.1989","","","0.5198","0.5561","","","","","","1.422","","","","has coordinates,has disorder","256110","2020-10-21","18:00:00",""
"7705130","8.8471","0.001","20.875","0.002","19.174","0.002","90","","94.529","0.002","90","","3530.1","0.6","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 Cl F6 Fe Ir N2 P -","- C33 H35 Cl F6 Fe Ir N2 P -","- C132 H140 Cl4 F24 Fe4 Ir4 N8 P4 -","4","1","","Shao, Mingxiao; Liu, Xicheng; Sun, Yiwei; Dou, Shuaihua; Chen, Qi; Yuan, Xiang-Ai; Tian, Laijin; Liu, Zhe","Preparation and the anticancer mechanism of configuration-controlled Fe(II)-Ir(III) heteronuclear metal complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12599","12609","10.1039/d0dt02408b","","","0.71073","MoKα","","0.043","0.0351","","","0.1039","0.109","","","","","","1.082","","","","has coordinates","257542","2020-10-21","18:00:00",""
"7705131","15.354","0.008","15.354","","22.421","0.015","90","","90","","90","","5286","4","293","2","293.15","","","","","","","","","5","I 4/m","-I 4","87","","","","- C48 H32 N11 O17 Yb -","- C48 H32 N11 O17 Yb -","- C192 H128 N44 O68 Yb4 -","4","0.25","","Handzlik, Gabriela; Magott, Michał; Arczyński, Mirosław; Sheveleva, Alena M.; Tuna, Floriana; Baran, Stanisław; Pinkowicz, Dawid","Identical anomalous Raman relaxation exponent in a family of single ion magnets: towards reliable Raman relaxation determination?","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11942","11949","10.1039/d0dt02439b","","","0.71073","MoKα","","0.0402","0.0364","","","0.1084","0.113","","","","","","1.102","","","","has coordinates,has disorder","256108","2020-10-21","18:00:00",""
"7705132","15.3972","0.0016","15.3972","0.0016","22.418","0.004","90","","90","","90","","5314.7","1.2","161","2","293","","","","","","","","","5","I 4/m","-I 4","87","","","","- C48 H32 Er N11 O17 -","- C48 H32 Er N11 O17 -","- C192 H128 Er4 N44 O68 -","4","0.25","","Handzlik, Gabriela; Magott, Michał; Arczyński, Mirosław; Sheveleva, Alena M.; Tuna, Floriana; Baran, Stanisław; Pinkowicz, Dawid","Identical anomalous Raman relaxation exponent in a family of single ion magnets: towards reliable Raman relaxation determination?","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11942","11949","10.1039/d0dt02439b","","","0.71073","MoKα","","0.0576","0.0492","","","0.1322","0.1421","","","","","","1.05","","","","has coordinates,has disorder","256108","2020-10-21","18:00:00",""
"7705133","15.2258","0.001","15.2258","0.001","22.1833","0.0016","90","","90","","90","","5142.6","0.6","100","2","100","","","","","","","","","5","I 4/m","-I 4","87","","","","- C48 H32 N11 O17 Yb -","- C48 H32 N11 O17 Yb -","- C192 H128 N44 O68 Yb4 -","4","0.25","","Handzlik, Gabriela; Magott, Michał; Arczyński, Mirosław; Sheveleva, Alena M.; Tuna, Floriana; Baran, Stanisław; Pinkowicz, Dawid","Identical anomalous Raman relaxation exponent in a family of single ion magnets: towards reliable Raman relaxation determination?","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11942","11949","10.1039/d0dt02439b","","","0.71073","MoKα","","0.0475","0.0426","","","0.1267","0.1312","","","","","","1.082","","","","has coordinates,has disorder","256108","2020-10-21","18:00:00",""
"7705134","15.2889","0.0014","15.2889","0.0014","22.186","0.002","90","","90","","90","","5186","0.8","120","2","120","","","","","","","","","5","I 4/m","-I 4","87","","","","- C48 H32 Er N11 O17 -","- C48 H32 Er N11 O17 -","- C192 H128 Er4 N44 O68 -","4","0.25","","Handzlik, Gabriela; Magott, Michał; Arczyński, Mirosław; Sheveleva, Alena M.; Tuna, Floriana; Baran, Stanisław; Pinkowicz, Dawid","Identical anomalous Raman relaxation exponent in a family of single ion magnets: towards reliable Raman relaxation determination?","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11942","11949","10.1039/d0dt02439b","","","0.71073","MoKα","","0.065","0.0607","","","0.1849","0.1913","","","","","","1.191","","","","has coordinates,has disorder","256108","2020-10-21","18:00:00",""
"7705135","18.2164","0.0017","8.9192","0.0008","17.6329","0.0017","90","","107.905","0.001","90","","2726.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 Au N3 P -","- C33 H29 Au N3 P -","- C132 H116 Au4 N12 P4 -","4","1","","Johnson, Alice; Marzo, Isabel; Gimeno, M Concepción","Heterobimetallic propargyl gold complexes with π-bound copper or silver with enhanced anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11736","11742","10.1039/d0dt02113j","","","0.71073","MoKα","","0.0558","0.0386","","","0.0762","0.0834","","","","","","1.023","","","","has coordinates","256083","2020-10-21","18:00:00",""
"7705136","12.7122","0.0009","10.366","0.0008","18.2237","0.0013","90","","107.657","0.001","90","","2288.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Au N3 P -","- C27 H21 Au N3 P -","- C108 H84 Au4 N12 P4 -","4","1","","Johnson, Alice; Marzo, Isabel; Gimeno, M Concepción","Heterobimetallic propargyl gold complexes with π-bound copper or silver with enhanced anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11736","11742","10.1039/d0dt02113j","","","0.71073","MoKα","","0.0309","0.0249","","","0.0633","0.0671","","","","","","1.06","","","","has coordinates","256083","2020-10-21","18:00:00",""
"7705137","8.7346","0.0017","9.4044","0.0019","16.195","0.003","88.7","0.03","77.31","0.03","78.99","0.03","1273.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H25 Au N P -","- C33 H25 Au N P -","- C66 H50 Au2 N2 P2 -","2","1","","Johnson, Alice; Marzo, Isabel; Gimeno, M Concepción","Heterobimetallic propargyl gold complexes with π-bound copper or silver with enhanced anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11736","11742","10.1039/d0dt02113j","","","0.71073","MoKα","","0.0175","0.0163","","","0.034","0.0345","","","","","","1.038","","","","has coordinates","256083","2020-10-21","18:00:00",""
"7705138","8.9759","0.0007","16.5724","0.0012","15.6715","0.0012","90","","102.759","0.001","90","","2273.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Au P S -","- C27 H22 Au P S -","- C108 H88 Au4 P4 S4 -","4","1","","Johnson, Alice; Marzo, Isabel; Gimeno, M Concepción","Heterobimetallic propargyl gold complexes with π-bound copper or silver with enhanced anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11736","11742","10.1039/d0dt02113j","","","0.71073","MoKα","","0.0248","0.0232","","","0.0582","0.0591","","","","","","1.073","","","","has coordinates","256083","2020-10-21","18:00:00",""
"7705139","13.413","0.004","10.891","0.004","13.413","0.004","90","","100.08","","90","","1929.1","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Au O P -","- C22 H20 Au O P -","- C88 H80 Au4 O4 P4 -","4","1","","Johnson, Alice; Marzo, Isabel; Gimeno, M Concepción","Heterobimetallic propargyl gold complexes with π-bound copper or silver with enhanced anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11736","11742","10.1039/d0dt02113j","","","0.71073","MoKα","","0.0425","0.0398","","","0.1092","0.111","","","","","","1.047","","","","has coordinates","256083","2020-10-21","18:00:00",""
"7705140","10.6521","0.0006","11.9337","0.0007","15.9069","0.0009","72.656","0.001","76.336","0.001","83.163","0.001","1872.92","0.19","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C70 H68 Au2 Cl8 Cu2 N8 O8 P2 -","- C70 H68 Au2 Cl8 Cu2 N8 O8 P2 -","- C70 H68 Au2 Cl8 Cu2 N8 O8 P2 -","1","0.5","","Johnson, Alice; Marzo, Isabel; Gimeno, M Concepción","Heterobimetallic propargyl gold complexes with π-bound copper or silver with enhanced anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11736","11742","10.1039/d0dt02113j","","","0.71073","MoKα","","0.0255","0.0224","","","0.0556","0.0572","","","","","","1.0513","","","","has coordinates,has disorder","256083","2020-10-21","18:00:00",""
"7705141","21.9189","0.0013","9.0536","0.0006","17.5745","0.0011","90","","90","","90","","3487.6","0.4","100","2","100.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C42 H34 Au2 O P2 -","- C42 H34 Au2 O P2 -","- C168 H136 Au8 O4 P8 -","4","0.5","","Johnson, Alice; Marzo, Isabel; Gimeno, M Concepción","Heterobimetallic propargyl gold complexes with π-bound copper or silver with enhanced anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11736","11742","10.1039/d0dt02113j","","","0.71073","MoKα","","0.043","0.0312","","","0.0618","0.0675","","","","","","1.0559","","","","has coordinates,has disorder","256083","2020-10-21","18:00:00",""
"7705142","8.0732","0.0002","15.1381","0.0005","18.804","0.0006","90","","94.055","0.002","90","","2292.34","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 Co N3 O7 S -","- C21 H18 Co N3 O7 S -","- C84 H72 Co4 N12 O28 S4 -","4","1","","Laha, Biswajit; Khullar, Sadhika; Gogia, Alisha; Mandal, Sanjay K.","Effecting structural diversity in a series of Co(II)-organic frameworks by the interplay between rigidity of a dicarboxylate and flexibility of bis(tridentate) spanning ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12298","12310","10.1039/d0dt02153a","","","0.71073","MoKα","","0.0792","0.0629","","","0.1548","0.168","","","","","","0.974","","","","has coordinates","257554","2020-10-21","18:00:00",""
"7705143","9.911","0.018","15.89","0.03","16.97","0.03","117.14","0.02","90.21","0.03","105.58","0.02","2266","7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H48 Co2 N6 O11.5 S2 -","- C43 H48 Co2 N6 O11.5 S2 -","- C86 H96 Co4 N12 O23 S4 -","2","1","","Laha, Biswajit; Khullar, Sadhika; Gogia, Alisha; Mandal, Sanjay K.","Effecting structural diversity in a series of Co(II)-organic frameworks by the interplay between rigidity of a dicarboxylate and flexibility of bis(tridentate) spanning ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12298","12310","10.1039/d0dt02153a","","","0.71073","MoKα","","0.1074","0.0638","","","0.1797","0.2098","","","","","","1.067","","","","has coordinates","257554","2020-10-21","18:00:00",""
"7705144","9.643","0.002","14.622","0.004","14.166","0.004","90","","93.433","0.016","90","","1993.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 Co2 N6 O8 S2 -","- C44 H36 Co2 N6 O8 S2 -","- C88 H72 Co4 N12 O16 S4 -","2","0.5","","Laha, Biswajit; Khullar, Sadhika; Gogia, Alisha; Mandal, Sanjay K.","Effecting structural diversity in a series of Co(II)-organic frameworks by the interplay between rigidity of a dicarboxylate and flexibility of bis(tridentate) spanning ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12298","12310","10.1039/d0dt02153a","","","0.71073","MoKα","","0.0378","0.033","","","0.1066","0.1142","","","","","","0.894","","","","has coordinates","257554","2020-10-21","18:00:00",""
"7705145","9.1292","0.001","16.1977","0.0018","17.632","0.002","90","","92.443","0.007","90","","2604.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 Co2 N6 O13 S2 -","- C46 H56 Co2 N6 O13 S2 -","- C92 H112 Co4 N12 O26 S4 -","2","0.5","","Laha, Biswajit; Khullar, Sadhika; Gogia, Alisha; Mandal, Sanjay K.","Effecting structural diversity in a series of Co(II)-organic frameworks by the interplay between rigidity of a dicarboxylate and flexibility of bis(tridentate) spanning ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12298","12310","10.1039/d0dt02153a","","","0.71073","MoKα","","0.1049","0.0698","","","0.1889","0.213","","","","","","1.031","","","","has coordinates","257554","2020-10-21","18:00:00",""
"7705146","9.6088","0.0006","9.7213","0.0006","18.0783","0.001","96.099","0.005","99.95","0.005","115.437","0.006","1470.81","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Cl2 Co Fe P2 -","- C34 H28 Cl2 Co Fe P2 -","- C68 H56 Cl4 Co2 Fe2 P4 -","2","1","","Hrubý, J; Dvořák, D; Squillantini, L.; Mannini, M.; van Slageren, J.; Herchel, R.; Nemec, I.; Neugebauer, P.","Co(II)-Based single-ion magnets with 1,1'-ferrocenediyl-bis(diphenylphosphine) metalloligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11697","11707","10.1039/d0dt01512a","","","0.71073","MoKα","","0.0591","0.0449","","","0.1153","0.1191","","","","","","0.976","","","","has coordinates","256077","2020-10-21","18:00:00",""
"7705147","9.68","0.003","9.912","0.003","18.224","0.005","97.298","0.01","99.411","0.01","116.006","0.008","1510.9","0.8","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Br2 Co Fe P2 -","- C34 H28 Br2 Co Fe P2 -","- C68 H56 Br4 Co2 Fe2 P4 -","2","1","","Hrubý, J; Dvořák, D; Squillantini, L.; Mannini, M.; van Slageren, J.; Herchel, R.; Nemec, I.; Neugebauer, P.","Co(II)-Based single-ion magnets with 1,1'-ferrocenediyl-bis(diphenylphosphine) metalloligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11697","11707","10.1039/d0dt01512a","","","0.71073","MoKα","","0.0298","0.0221","","","0.0447","0.0461","","","","","","1.026","","","","has coordinates","256077","2020-10-21","18:00:00",""
"7705148","8.9206","0.0005","18.0297","0.0011","9.9691","0.0007","90","","94.857","0.002","90","","1597.63","0.17","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H28 Co Fe I2 P2 -","- C34 H28 Co Fe I2 P2 -","- C68 H56 Co2 Fe2 I4 P4 -","2","1","","Hrubý, J; Dvořák, D; Squillantini, L.; Mannini, M.; van Slageren, J.; Herchel, R.; Nemec, I.; Neugebauer, P.","Co(II)-Based single-ion magnets with 1,1'-ferrocenediyl-bis(diphenylphosphine) metalloligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11697","11707","10.1039/d0dt01512a","","","0.71073","MoKα","","0.0499","0.0306","","","0.0517","0.0644","","","","","","1.04","","","","has coordinates","256077","2020-10-21","18:00:00",""
"7705149","10.379","0.004","16.873","0.006","30.938","0.011","90","","90","","90","","5418","3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H23 F6 Ir N7 O P -","- C26 H21 F6 Ir N7 P -","- C208 H168 F48 Ir8 N56 P8 -","8","1","","Abdolla, Noreldin S. Y.; Davies, David L.; Lowe, Mark P.; Singh, Kuldip","Bis-cyclometallated Ir(III) complexes containing 2-(1<i>H</i>-pyrazol-3-yl)pyridine ligands; influence of substituents and cyclometallating ligands on response to changes in pH.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12025","12036","10.1039/d0dt02434a","","","0.71073","MoKα","","0.1025","0.046","","","0.074","0.0854","","","","","","0.894","","","","has coordinates","256105","2020-10-21","18:00:00",""
"7705150","10.7474","0.0016","17.421","0.003","31.295","0.005","90","","90","","90","","5859.4","1.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H25 F6 Ir N5 O P -","- C30 H25 F6 Ir N5 O P -","- C240 H200 F48 Ir8 N40 O8 P8 -","8","1","","Abdolla, Noreldin S. Y.; Davies, David L.; Lowe, Mark P.; Singh, Kuldip","Bis-cyclometallated Ir(III) complexes containing 2-(1<i>H</i>-pyrazol-3-yl)pyridine ligands; influence of substituents and cyclometallating ligands on response to changes in pH.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12025","12036","10.1039/d0dt02434a","","","0.71073","MoKα","","0.0878","0.0416","","","0.0754","0.0853","","","","","","0.983","","","","has coordinates","256105","2020-10-21","18:00:00",""
"7705151","11.648","0.005","16.487","0.007","19.704","0.009","91.865","0.007","100.706","0.007","93.332","0.007","3708","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H46 F6 Ir N5 O0.5 P -","- C34 H32 F6 Ir N5 O0.5 P -","- C136 H128 F24 Ir4 N20 O2 P4 -","4","2","","Abdolla, Noreldin S. Y.; Davies, David L.; Lowe, Mark P.; Singh, Kuldip","Bis-cyclometallated Ir(III) complexes containing 2-(1<i>H</i>-pyrazol-3-yl)pyridine ligands; influence of substituents and cyclometallating ligands on response to changes in pH.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12025","12036","10.1039/d0dt02434a","","","0.71073","MoKα","","0.0933","0.0553","","","0.114","0.1231","","","","","","0.912","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7705152","17.859","0.003","16.147","0.003","21.284","0.003","90","","90","","90","","6137.7","1.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H30 Cl2 Ir N7 -","- C31 H30 Cl2 Ir N7 -","- C248 H240 Cl16 Ir8 N56 -","8","1","","Abdolla, Noreldin S. Y.; Davies, David L.; Lowe, Mark P.; Singh, Kuldip","Bis-cyclometallated Ir(III) complexes containing 2-(1<i>H</i>-pyrazol-3-yl)pyridine ligands; influence of substituents and cyclometallating ligands on response to changes in pH.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12025","12036","10.1039/d0dt02434a","","","0.71073","MoKα","","0.0848","0.0461","","","0.09","0.1005","","","","","","0.946","","","","has coordinates","256105","2020-10-21","18:00:00",""
"7705153","15.389","0.003","14.072","0.002","19.607","0.003","90","","94.216","0.003","90","","4234.5","1.2","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H31 Cl6 F6 Ir N5 O P -","- C36 H27 F6 Ir N5 P -","- C144 H108 F24 Ir4 N20 P4 -","4","1","","Abdolla, Noreldin S. Y.; Davies, David L.; Lowe, Mark P.; Singh, Kuldip","Bis-cyclometallated Ir(III) complexes containing 2-(1<i>H</i>-pyrazol-3-yl)pyridine ligands; influence of substituents and cyclometallating ligands on response to changes in pH.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12025","12036","10.1039/d0dt02434a","","","0.71073","MoKα","","0.057","0.0417","","","0.0888","0.0922","","","","","","0.943","","","","has coordinates","256105","2020-10-21","18:00:00",""
"7705154","15.196","0.003","10.3751","0.0019","21.86","0.004","90","","99.262","0.004","90","","3401.5","1.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C151 H118 Cl14 Ir4 N20 -","- C151 H118 Cl14 Ir4 N20 -","- C151 H118 Cl14 Ir4 N20 -","1","0.25","","Abdolla, Noreldin S. Y.; Davies, David L.; Lowe, Mark P.; Singh, Kuldip","Bis-cyclometallated Ir(III) complexes containing 2-(1<i>H</i>-pyrazol-3-yl)pyridine ligands; influence of substituents and cyclometallating ligands on response to changes in pH.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12025","12036","10.1039/d0dt02434a","","","0.71073","MoKα","","0.117","0.0589","","","0.0953","0.1085","","","","","","0.896","","","","has coordinates","256105","2020-10-21","18:00:00",""
"7705155","19.438","0.003","16.341","0.003","21.309","0.004","90","","106.081","0.003","90","","6504","2","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H27 Cl F6 Ir N7 O0.5 P -","- C32.5 H27 Cl F6 Ir N7 O0.5 P -","- C260 H216 Cl8 F48 Ir8 N56 O4 P8 -","8","2","","Abdolla, Noreldin S. Y.; Davies, David L.; Lowe, Mark P.; Singh, Kuldip","Bis-cyclometallated Ir(III) complexes containing 2-(1<i>H</i>-pyrazol-3-yl)pyridine ligands; influence of substituents and cyclometallating ligands on response to changes in pH.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12025","12036","10.1039/d0dt02434a","","","0.71073","MoKα","","0.076","0.0441","","","0.0678","0.0748","","","","","","0.833","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7705156","26.346","0.004","53.628","0.007","9.5813","0.0013","90","","90","","90","","13537","3","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H43 F6 Ir N7 P -","- C30 H29 F6 Ir N7 P -","- C480 H464 F96 Ir16 N112 P16 -","16","1","","Abdolla, Noreldin S. Y.; Davies, David L.; Lowe, Mark P.; Singh, Kuldip","Bis-cyclometallated Ir(III) complexes containing 2-(1<i>H</i>-pyrazol-3-yl)pyridine ligands; influence of substituents and cyclometallating ligands on response to changes in pH.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12025","12036","10.1039/d0dt02434a","","","0.71073","MoKα","","0.0624","0.0538","","","0.1348","0.139","","","","","","1.032","","","","has coordinates","256105","2020-10-21","18:00:00",""
"7705157","8.7995","0.0011","30.469","0.002","10.9422","0.0013","90","","92.595","0.002","90","","2930.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Co(LN5)(NCS)])(ClO4)(MeOH)","","","- C24 H36 Cl Co N7 O7 S -","- C24 H36 Cl Co N7 O7 S -","- C96 H144 Cl4 Co4 N28 O28 S4 -","4","1","","Massoud, Salah S.; Perez, Zoe E.; Courson, Jessica R.; Fischer, Roland C.; Mautner, Franz A.; Vančo, Ján; Čajan, Michal; Trávníček, Zdeněk","Slow magnetic relaxation in penta-coordinate cobalt(II) field-induced single-ion magnets (SIMs) with easy-axis magnetic anisotropy.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11715","11726","10.1039/d0dt02338h","","","0.71073","MoKα","","0.1079","0.0982","","","0.1881","0.1919","","","","","","1.362","","","","has coordinates,has disorder","256080","2020-10-21","18:00:00",""
"7705158","11.695","0.003","15.611","0.004","16.09","0.004","90.601","0.004","90.574","0.004","102.657","0.004","2865.8","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Co(LN5)(NCS)]2(ClO4)2","","","- C24 H34 Cl Co N7 O5 S -","- C24 H34 Cl Co N7 O5 S -","- C96 H136 Cl4 Co4 N28 O20 S4 -","4","2","","Massoud, Salah S.; Perez, Zoe E.; Courson, Jessica R.; Fischer, Roland C.; Mautner, Franz A.; Vančo, Ján; Čajan, Michal; Trávníček, Zdeněk","Slow magnetic relaxation in penta-coordinate cobalt(II) field-induced single-ion magnets (SIMs) with easy-axis magnetic anisotropy.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11715","11726","10.1039/d0dt02338h","","","0.71073","MoKα","","0.0916","0.0696","","","0.1534","0.1637","","","","","","1.133","","","","has coordinates,has disorder","256080","2020-10-21","18:00:00",""
"7705159","11.4312","0.0007","17.2983","0.0012","19.8767","0.0016","90","","105.599","0.002","90","","3785.7","0.5","150","2","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H46 Cl4 Fe N4 Si2 -","- C30 H46 Cl4 Fe N4 Si2 -","- C120 H184 Cl16 Fe4 N16 Si8 -","4","2","","He, Zhiyuan; Xue, Xiaolian; Liu, Yilan; Yu, Na; Krogman, Jeremy P.","Aminolysis of bis[bis(trimethylsilyl)amido]-manganese, -iron, and -cobalt for the synthesis of mono- and bis-silylene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12586","12591","10.1039/d0dt00570c","","","0.71073","MoKα","","0.0806","0.0579","","","0.1535","0.1709","","","","","","1.033","","","","has coordinates","257536","2020-10-21","18:00:00",""
"7705160","26.502","0.002","13.2285","0.0009","18.1814","0.0015","90","","117.706","0.002","90","","5643.2","0.7","150","2","149.99","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C48 H64 Cl5 Co2 N4 Si2 -","- C48 H64 Cl5 Co2 N4 Si2 -","- C192 H256 Cl20 Co8 N16 Si8 -","4","0.5","","He, Zhiyuan; Xue, Xiaolian; Liu, Yilan; Yu, Na; Krogman, Jeremy P.","Aminolysis of bis[bis(trimethylsilyl)amido]-manganese, -iron, and -cobalt for the synthesis of mono- and bis-silylene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12586","12591","10.1039/d0dt00570c","","","0.71073","MoKα","","0.0966","0.074","","","0.222","0.2481","","","","","","1.058","","","","has coordinates,has disorder","257536","2020-10-21","18:00:00",""
"7705161","10.0727","0.0009","12.8695","0.0012","13.2383","0.0011","67.489","0.004","85.051","0.005","67.086","0.004","1456.3","0.2","150","2","149.99","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H82 Cl4 Fe2 N6 Si6 -","- C42 H82 Cl4 Fe2 N6 Si6 -","- C42 H82 Cl4 Fe2 N6 Si6 -","1","0.5","","He, Zhiyuan; Xue, Xiaolian; Liu, Yilan; Yu, Na; Krogman, Jeremy P.","Aminolysis of bis[bis(trimethylsilyl)amido]-manganese, -iron, and -cobalt for the synthesis of mono- and bis-silylene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12586","12591","10.1039/d0dt00570c","","","0.71073","MoKα","","0.0994","0.054","","","0.1199","0.1393","","","","","","1.02","","","","has coordinates","257536","2020-10-21","18:00:00",""
"7705162","37.0728","0.0013","13.2937","0.0005","17.4231","0.0006","90","","110.472","0.001","90","","8044.4","0.5","150","2","149.87","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H120 Cl2 Fe2 N8 Si10 -","- C60 H120 Cl2 Fe2 N8 Si10 -","- C240 H480 Cl8 Fe8 N32 Si40 -","4","0.5","","He, Zhiyuan; Xue, Xiaolian; Liu, Yilan; Yu, Na; Krogman, Jeremy P.","Aminolysis of bis[bis(trimethylsilyl)amido]-manganese, -iron, and -cobalt for the synthesis of mono- and bis-silylene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12586","12591","10.1039/d0dt00570c","","","1.54178","CuKα","","0.0464","0.0415","","","0.1159","0.119","","","","","","1.077","","","","has coordinates","257536","2020-10-21","18:00:00",""
"7705163","10.5954","0.0009","10.9184","0.0008","17.2222","0.0014","77.08","0.004","79.212","0.004","73.855","0.004","1848.6","0.3","150.03","","150.03","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H46 Br0.84 Cl3.16 Mn N4 Si2 -","- C30 H46 Br0.84 Cl3.16 Mn N4 Si2 -","- C60 H92 Br1.68 Cl6.32 Mn2 N8 Si4 -","2","1","","He, Zhiyuan; Xue, Xiaolian; Liu, Yilan; Yu, Na; Krogman, Jeremy P.","Aminolysis of bis[bis(trimethylsilyl)amido]-manganese, -iron, and -cobalt for the synthesis of mono- and bis-silylene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12586","12591","10.1039/d0dt00570c","","","0.71073","MoKα","","0.0916","0.0461","","","0.0936","0.1096","","","","","","1.022","","","","has coordinates,has disorder","257536","2020-10-21","18:00:00",""
"7705164","26.9482","0.0014","16.5518","0.0008","8.8695","0.0004","90","","90","","90","","3956.2","0.3","150","2","149.96","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H59 Cl Fe N4 Si5 -","- C27 H59 Cl Fe N4 Si5 -","- C108 H236 Cl4 Fe4 N16 Si20 -","4","1","","He, Zhiyuan; Xue, Xiaolian; Liu, Yilan; Yu, Na; Krogman, Jeremy P.","Aminolysis of bis[bis(trimethylsilyl)amido]-manganese, -iron, and -cobalt for the synthesis of mono- and bis-silylene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12586","12591","10.1039/d0dt00570c","","","0.71073","MoKα","","0.0519","0.0431","","","0.1163","0.122","","","","","","1.056","","","","has coordinates","257536","2020-10-21","18:00:00",""
"7705165","11.9514","0.0009","19.3184","0.0016","19.1714","0.0017","90","","91.199","0.002","90","","4425.4","0.6","150.02","","150.02","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H56 Cl4 N4 Si2 -","- C43 H56 Cl4 N4 Si2 -","- C172 H224 Cl16 N16 Si8 -","4","1","","He, Zhiyuan; Xue, Xiaolian; Liu, Yilan; Yu, Na; Krogman, Jeremy P.","Aminolysis of bis[bis(trimethylsilyl)amido]-manganese, -iron, and -cobalt for the synthesis of mono- and bis-silylene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12586","12591","10.1039/d0dt00570c","","","0.71073","MoKα","","0.136","0.0989","","","0.1858","0.2012","","","","","","1.141","","","","has coordinates,has disorder","257536","2020-10-21","18:00:00",""
"7705166","7.7897","0.0004","27.7273","0.0018","7.9686","0.0005","90","","104.039","0.002","90","","1669.71","0.17","150","2","150.02","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 N4 -","- C36 H50 N4 -","- C72 H100 N8 -","2","0.5","","He, Zhiyuan; Xue, Xiaolian; Liu, Yilan; Yu, Na; Krogman, Jeremy P.","Aminolysis of bis[bis(trimethylsilyl)amido]-manganese, -iron, and -cobalt for the synthesis of mono- and bis-silylene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12586","12591","10.1039/d0dt00570c","","","0.71073","MoKα","","0.0647","0.0508","","","0.1253","0.1361","","","","","","1.044","","","","has coordinates","257536","2020-10-21","18:00:00",""
"7705167","14.052","0.003","13.466","0.002","16.318","0.002","90","","106.756","0.006","90","","2956.7","0.9","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H82 Cl4 Mn2 N6 Si6 -","- C42 H82 Cl4 Mn2 N6 Si6 -","- C84 H164 Cl8 Mn4 N12 Si12 -","2","0.5","","He, Zhiyuan; Xue, Xiaolian; Liu, Yilan; Yu, Na; Krogman, Jeremy P.","Aminolysis of bis[bis(trimethylsilyl)amido]-manganese, -iron, and -cobalt for the synthesis of mono- and bis-silylene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12586","12591","10.1039/d0dt00570c","","","0.71073","MoKα","","0.1238","0.0669","","","0.1612","0.1937","","","","","","0.994","","","","has coordinates,has disorder","257536","2020-10-21","18:00:00",""
"7705168","10.9455","0.0012","14.6642","0.0016","18.313","0.0019","90","","100.479","0.003","90","","2890.3","0.5","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H82 Cl4 Co2 N6 Si6 -","- C42 H82 Cl4 Co2 N6 Si6 -","- C84 H164 Cl8 Co4 N12 Si12 -","2","0.5","","He, Zhiyuan; Xue, Xiaolian; Liu, Yilan; Yu, Na; Krogman, Jeremy P.","Aminolysis of bis[bis(trimethylsilyl)amido]-manganese, -iron, and -cobalt for the synthesis of mono- and bis-silylene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12586","12591","10.1039/d0dt00570c","","","0.71073","MoKα","","0.0893","0.0562","","","0.1272","0.1489","","","","","","1.108","","","","has coordinates","257536","2020-10-21","18:00:00",""
"7705169","16.821","0.003","17.342","0.003","18.54","0.003","106.108","0.002","107.431","0.002","90.415","0.003","4933.2","1.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H45 Cl2 F6 N3 O2.5 P3 Ru -","- C51 H45 Cl2 F6 N3 O2.5 P3 Ru -","- C204 H180 Cl8 F24 N12 O10 P12 Ru4 -","4","2","","Oliveira, Katia M.; Honorato, João; Gonçalves, Guilherme R; Cominetti, Marcia R.; Batista, Alzir A.; Correa, Rodrigo S.","Ru(II)/diclofenac-based complexes: DNA, BSA interaction and their anticancer evaluation against lung and breast tumor cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12643","12652","10.1039/d0dt01591a","","","0.71073","Mo-Kα","","0.0311","0.0277","","","0.071","0.0733","","","","","","1.037","","","","has coordinates,has disorder","257538","2020-10-21","18:00:00",""
"7705170","13.9632","0.0016","14.6228","0.0018","16.5042","0.0018","70.695","0.004","77.328","0.004","64.054","0.004","2848.7","0.6","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C58 H45 Cl2 F6 Fe N2 O5 P4 Ru -","- C59 H48 Cl4 F6 Fe N3 O2 P3 Ru -","- C118 H96 Cl8 F12 Fe2 N6 O4 P6 Ru2 -","2","1","","Oliveira, Katia M.; Honorato, João; Gonçalves, Guilherme R; Cominetti, Marcia R.; Batista, Alzir A.; Correa, Rodrigo S.","Ru(II)/diclofenac-based complexes: DNA, BSA interaction and their anticancer evaluation against lung and breast tumor cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12643","12652","10.1039/d0dt01591a","","x-ray","0.71073","MoKα","","0.1122","0.1044","","","0.2578","0.2626","","","","","","1.075","","","","has coordinates","257538","2020-10-21","18:00:00",""
"7705171","11.441","0.002","15.858","0.003","17.549","0.003","70.244","0.003","79.049","0.003","71.215","0.003","2825.1","0.9","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C55 H58 Cl2 F6 N3 O5 P3 Ru S2 -","- C55 H58 Cl2 F6 N3 O5 P3 Ru S2 -","- C110 H116 Cl4 F12 N6 O10 P6 Ru2 S4 -","2","1","","Oliveira, Katia M.; Honorato, João; Gonçalves, Guilherme R; Cominetti, Marcia R.; Batista, Alzir A.; Correa, Rodrigo S.","Ru(II)/diclofenac-based complexes: DNA, BSA interaction and their anticancer evaluation against lung and breast tumor cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12643","12652","10.1039/d0dt01591a","","","0.71073","Mo-Kα","","0.0661","0.0617","","","0.1693","0.1748","","","","","","1.036","","","","has coordinates,has disorder","257538","2020-10-21","18:00:00",""
"7705172","25.685","0.002","3.4697","0.0003","5.4404","0.0004","90","","90","","90","","484.84","0.07","297","2","297","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- B4 Ca2 F2 I0 Li6 O10 -","- B4 Ca2 F2 Li6 O10 -","- B8 Ca4 F4 Li12 O20 -","2","0.25","","Ding, Mengmeng; Xu, JingJing; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Li<sub>3</sub>CaB<sub>2</sub>O<sub>5</sub>F: a unique sandwich-like structure with diverse and wide Li ion diffusion pathways.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12184","12188","10.1039/d0dt02423f","","","0.71073","MoKα","","0.0362","0.0302","","","0.1009","0.1104","","","","","","0.906","","","","has coordinates","257567","2020-10-21","18:00:00",""
"7705173","15.3269","0.0003","13.8051","0.0002","11.6358","0.0002","90","","90","","90","","2462.01","0.07","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","[Cu(NNN-pincer)-DMF]","","","- C26 H28 Cu N4 O3 -","- C26 H28 Cu N4 O3 -","- C104 H112 Cu4 N16 O12 -","4","1","","Li, Yinghua; Fan, Weibin; Zhang, Zilong; Xie, Xingkun; Xiang, Shiqun; Huang, Deguang","Copper(II)-hydroxide facilitated C-C bond formation: the carboxamido pyridine system <i>versus</i> the methylimino pyridine system.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12189","12196","10.1039/d0dt02288h","","","1.54184","CuKα","","0.0388","0.0366","","","0.0998","0.1025","","","","","","1.057","","","","has coordinates","257559","2020-10-21","18:00:00",""
"7705174","23.87663","0.00017","23.87663","0.00017","7.93792","0.00008","90","","90","","90","","4525.36","0.06","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","[Cu(Py(O=C-N)2(PhMe2)2(EDA)]","","","- C25 H29 Cu N5 O2 -","- C25 H29 Cu N5 O2 -","- C200 H232 Cu8 N40 O16 -","8","1","","Li, Yinghua; Fan, Weibin; Zhang, Zilong; Xie, Xingkun; Xiang, Shiqun; Huang, Deguang","Copper(II)-hydroxide facilitated C-C bond formation: the carboxamido pyridine system <i>versus</i> the methylimino pyridine system.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12189","12196","10.1039/d0dt02288h","","","1.54184","CuKα","","0.0319","0.0301","","","0.0796","0.0812","","","","","","1.046","","","","has coordinates","257559","2020-10-21","18:00:00",""
"7705175","18.1135","0.001","12.8871","0.0006","12.7862","0.0005","90","","90","","90","","2984.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Cu(NNN-pincer)-OH] (Me4N)","","","- C31 H38 Cu N4 O3 -","- C31 H38 Cu N4 O3 -","- C124 H152 Cu4 N16 O12 -","4","1","","Li, Yinghua; Fan, Weibin; Zhang, Zilong; Xie, Xingkun; Xiang, Shiqun; Huang, Deguang","Copper(II)-hydroxide facilitated C-C bond formation: the carboxamido pyridine system <i>versus</i> the methylimino pyridine system.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12189","12196","10.1039/d0dt02288h","","","1.54184","CuKα","","0.1423","0.1262","","","0.3111","0.3276","","","","","","1.036","","","","has coordinates,has disorder","294960","2024-10-01","15:55:32",""
"7705176","14.2458","0.0002","8.57344","0.00011","24.9685","0.0004","90","","104.113","0.0015","90","","2957.49","0.08","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Cu(N3-ligand)(DMF)](OTf)","","","- C28 H31 Cu F3 N4 O5 S -","- C28 H31 Cu F3 N4 O5 S -","- C112 H124 Cu4 F12 N16 O20 S4 -","4","1","","Li, Yinghua; Fan, Weibin; Zhang, Zilong; Xie, Xingkun; Xiang, Shiqun; Huang, Deguang","Copper(II)-hydroxide facilitated C-C bond formation: the carboxamido pyridine system <i>versus</i> the methylimino pyridine system.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12189","12196","10.1039/d0dt02288h","","","1.54184","CuKα","","0.0489","0.0424","","","0.1163","0.1219","","","","","","1.028","","","","has coordinates","257559","2020-10-21","18:00:00",""
"7705177","13.7621","0.0004","21.9194","0.0004","19.9436","0.0004","90","","90","","90","","6016.1","0.2","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","[Cu(NNN-ligand)]2 (Me4N)2 DMF","","","- C65 H81 Cu2 N9 O5 -","- C65 H81 Cu2 N9 O5 -","- C260 H324 Cu8 N36 O20 -","4","0.5","","Li, Yinghua; Fan, Weibin; Zhang, Zilong; Xie, Xingkun; Xiang, Shiqun; Huang, Deguang","Copper(II)-hydroxide facilitated C-C bond formation: the carboxamido pyridine system <i>versus</i> the methylimino pyridine system.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12189","12196","10.1039/d0dt02288h","","","1.54184","CuKα","","0.0578","0.0538","","","0.146","0.1511","","","","","","1.033","","","","has coordinates,has disorder","294960","2024-10-01","15:55:32",""
"7705178","14.36064","0.00014","16.83191","0.00016","25.6876","0.0003","90","","105.827","0.0011","90","","5973.73","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cu2(NNN-pincer)2] (Et4N)2 MeCN","","","- C64 H85 Cu2 N9 O4 -","- C64 H85 Cu2 N9 O4 -","- C256 H340 Cu8 N36 O16 -","4","1","","Li, Yinghua; Fan, Weibin; Zhang, Zilong; Xie, Xingkun; Xiang, Shiqun; Huang, Deguang","Copper(II)-hydroxide facilitated C-C bond formation: the carboxamido pyridine system <i>versus</i> the methylimino pyridine system.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12189","12196","10.1039/d0dt02288h","","","1.54184","CuKα","","0.0509","0.0452","","","0.1247","0.1294","","","","","","1.065","","","","has coordinates","257559","2020-10-21","18:00:00",""
"7705179","14.2445","0.0004","19.3006","0.0005","23.1317","0.0006","94.181","0.002","91.182","0.002","106.03","0.002","6090.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H67 Cu3 F3 N13 O7 S -","- C59 H67 Cu3 F3 N13 O7 S -","- C236 H268 Cu12 F12 N52 O28 S4 -","4","2","","Li, Yinghua; Fan, Weibin; Zhang, Zilong; Xie, Xingkun; Xiang, Shiqun; Huang, Deguang","Copper(II)-hydroxide facilitated C-C bond formation: the carboxamido pyridine system <i>versus</i> the methylimino pyridine system.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12189","12196","10.1039/d0dt02288h","","","1.54184","CuKα","","0.0711","0.0554","","","0.1477","0.1598","","","","","","1.052","","","","has coordinates,has disorder","257559","2020-10-21","18:00:00",""
"7705180","12.7226","0.0011","15.0739","0.0014","16.6986","0.0015","82.653","0.004","68.845","0.003","68.25","0.003","2773.9","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","[[Cu(dimer-ligand)](Me4N) (Et2O)1.5 (H2O)0.5","","","- C58 H74 Cu N7 O4 -","- C58 H74 Cu N7 O4 -","- C116 H148 Cu2 N14 O8 -","2","1","","Li, Yinghua; Fan, Weibin; Zhang, Zilong; Xie, Xingkun; Xiang, Shiqun; Huang, Deguang","Copper(II)-hydroxide facilitated C-C bond formation: the carboxamido pyridine system <i>versus</i> the methylimino pyridine system.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12189","12196","10.1039/d0dt02288h","","","0.71073","MoKα","","0.1237","0.0672","","","0.1974","0.2307","","","","","","1.128","","","","has coordinates,has disorder","294958","2024-10-01","15:42:49",""
"7705181","19.3634","0.0007","10.5517","0.0003","16.4604","0.0006","90","","107.198","0.004","90","","3212.8","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 N2 Ni2 O13 S2 -","- C25 H28 N2 Ni2 O13 S2 -","- C100 H112 N8 Ni8 O52 S8 -","4","0.5","","Xu, Dandan; Huang, Qianqian; Xu, Xinxin; Sang, Xiaoguang","NiMOF-derived oxygen vacancy rich NiO with excellent capacitance and ORR/OER activities as a cathode material for Zn-based hybrid batteries.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12441","12449","10.1039/d0dt01153c","","","0.71073","MoKα","","0.0643","0.06","","","0.1751","0.1774","","","","","","1.17","","","","has coordinates,has disorder","257560","2020-10-21","18:00:00",""
"7705182","10.1107","0.0007","13.5638","0.0009","13.8531","0.001","61.794","0.003","68.888","0.003","79.987","0.004","1561.8","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H86 Cl2 Fe2 N4 O -","- C64 H86 Cl2 Fe2 N4 O -","- C64 H86 Cl2 Fe2 N4 O -","1","0.5","","Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong","Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12287","12297","10.1039/d0dt02087g","","","0.71073","MoKα","","0.0671","0.0384","","","0.081","0.0902","","","","","","1.027","","","","has coordinates,has disorder","257555","2020-10-21","18:00:00",""
"7705183","16.7942","0.0019","12.0222","0.0013","35.531","0.005","90","","91.82","0.007","90","","7170.2","1.5","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C35 H43 Cl Fe N3 -","- C35 H43 Cl Fe N3 -","- C280 H344 Cl8 Fe8 N24 -","8","1","","Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong","Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12287","12297","10.1039/d0dt02087g","","","0.71073","MoKα","","0.1493","0.0675","","","0.1601","0.1955","","","","","","1.014","","","","has coordinates,has disorder","257555","2020-10-21","18:00:00",""
"7705184","18.114","0.002","20.701","0.002","33.7","0.004","90","","90","","90","","12637","2","150","2","150","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C60 H76 Fe N4 -","- C60 H76 Fe N4 -","- C480 H608 Fe8 N32 -","8","0.5","","Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong","Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12287","12297","10.1039/d0dt02087g","","","0.71073","MoKα","","0.1006","0.0549","","","0.134","0.1553","","","","","","1.01","","","","has coordinates","257555","2020-10-21","18:00:00",""
"7705185","13.5549","0.0012","17.0278","0.0019","16.221","0.002","90","","98.742","0.004","90","","3700.5","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 Fe N3 Si2 -","- C36 H56 Fe N3 Si2 -","- C144 H224 Fe4 N12 Si8 -","4","0.5","","Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong","Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12287","12297","10.1039/d0dt02087g","","","0.71073","MoKα","","0.1029","0.0536","","","0.1077","0.1274","","","","","","1.016","","","","has coordinates,has disorder","257555","2020-10-21","18:00:00",""
"7705186","26.0997","0.0006","14.5476","0.0004","18.309","0.0003","90","","107.063","0.001","90","","6645.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H94 Fe2 N4 O2 -","- C68 H94 Fe2 N4 O2 -","- C272 H376 Fe8 N16 O8 -","4","1","","Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong","Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12287","12297","10.1039/d0dt02087g","","","0.71073","MoKα","","0.0929","0.0517","","","0.1304","0.1506","","","","","","1.035","","","","has coordinates","257555","2020-10-21","18:00:00",""
"7705187","10.2114","0.0004","17.4996","0.0009","10.215","0.0006","90","","110.721","0.002","90","","1707.3","0.15","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C34 H48 Cl2 Fe N2 O -","- C34 H48 Cl2 Fe N2 O -","- C68 H96 Cl4 Fe2 N4 O2 -","2","0.5","","Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong","Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12287","12297","10.1039/d0dt02087g","","","0.71073","MoKα","","0.0704","0.0437","","","0.0927","0.1038","","","","","","1.021","","","","has coordinates,has disorder","257555","2020-10-21","18:00:00",""
"7705188","24.511","0.003","11.9033","0.0011","32.937","0.003","90","","102.358","0.005","90","","9387.1","1.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H74 Cl2 Fe N3 -","- C46 H74 Cl2 Fe N3 -","- C368 H592 Cl16 Fe8 N24 -","8","1","","Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong","Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12287","12297","10.1039/d0dt02087g","","","0.71073","MoKα","","0.1209","0.0543","","","0.0864","0.1051","","","","","","1.001","","","","has coordinates","257555","2020-10-21","18:00:00",""
"7705189","19.1247","0.0008","19.4899","0.001","21.8687","0.0012","90","","90","","90","","8151.3","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H58 Fe N4 O -","- C44 H58 Fe N4 O -","- C352 H464 Fe8 N32 O8 -","8","1","","Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong","Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12287","12297","10.1039/d0dt02087g","","","0.71073","MoKα","","0.1197","0.0552","","","0.1173","0.1437","","","","","","1.007","","","","has coordinates,has disorder","257555","2020-10-21","18:00:00",""
"7705190","12.9685","0.0012","13.0258","0.0014","23.194","0.002","90.938","0.005","97.421","0.005","90.778","0.005","3884.2","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H95 Fe2 N4 O4 Si2 -","- C67 H95 Fe2 N4 O4 Si2 -","- C134 H190 Fe4 N8 O8 Si4 -","2","1","","Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong","Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12287","12297","10.1039/d0dt02087g","","","0.71073","MoKα","","0.17","0.0747","","","0.1686","0.2026","","","","","","1.027","","","","has coordinates,has disorder","257555","2020-10-21","18:00:00",""
"7705191","25.2519","0.0015","14.5116","0.0006","19.3032","0.0013","90","","105.013","0.003","90","","6832.1","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H94 Fe2 N4 O2 Si2 -","- C66 H94 Fe2 N4 O2 Si2 -","- C264 H376 Fe8 N16 O8 Si8 -","4","1","","Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong","Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12287","12297","10.1039/d0dt02087g","","","0.71073","MoKα","","0.1151","0.055","","","0.1141","0.1365","","","","","","1.004","","","","has coordinates,has disorder","257555","2020-10-21","18:00:00",""
"7705192","11.801","0.003","14.041","0.003","15.332","0.004","90","","90.076","0.01","90","","2540.5","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Co N6 S2 -","- C24 H32 Co N6 S2 -","- C96 H128 Co4 N24 S8 -","4","1","","Ghosh, Subrata; Selvamani, S.; Kamilya, Sujit; Mehta, Sakshi; Mondal, Abhishake","Tuning of Spin Crossover Properties in a Series of Mononuclear Cobalt(II) Complexes Based on Macrocyclic Tetradentate Ligand and Pseudohalide Coligands","Dalton Transactions","2020","","","","","10.1039/D0DT02546A","","","0.71073","MoKα","","0.0988","0.0462","","","0.1019","0.1218","","","","","","1.017","","","","has coordinates","255417","2020-10-21","18:00:00",""
"7705193","11.6923","0.0006","13.986","0.0007","15.6498","0.0008","90","","90.018","0.002","90","","2559.2","0.2","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Co N6 Se2 -","- C24 H32 Co N6 Se2 -","- C96 H128 Co4 N24 Se8 -","4","1","","Ghosh, Subrata; Selvamani, S.; Kamilya, Sujit; Mehta, Sakshi; Mondal, Abhishake","Tuning of Spin Crossover Properties in a Series of Mononuclear Cobalt(II) Complexes Based on Macrocyclic Tetradentate Ligand and Pseudohalide Coligands","Dalton Transactions","2020","","","","","10.1039/D0DT02546A","","","0.71073","MoKα","","0.1676","0.0568","","","0.0865","0.1126","","","","","","1.002","","","","has coordinates","255417","2020-10-21","18:00:00",""
"7705194","11.725","0.004","14.041","0.004","15.673","0.004","90","","90.133","0.014","90","","2580.3","1.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Co N6 Se2 -","- C24 H32 Co N6 Se2 -","- C96 H128 Co4 N24 Se8 -","4","1","","Ghosh, Subrata; Selvamani, S.; Kamilya, Sujit; Mehta, Sakshi; Mondal, Abhishake","Tuning of Spin Crossover Properties in a Series of Mononuclear Cobalt(II) Complexes Based on Macrocyclic Tetradentate Ligand and Pseudohalide Coligands","Dalton Transactions","2020","","","","","10.1039/D0DT02546A","","","0.71073","MoKα","","0.1814","0.0559","","","0.1123","0.1559","","","","","","0.982","","","","has coordinates","255417","2020-10-21","18:00:00",""
"7705195","11.6028","0.0009","13.9245","0.0011","15.2779","0.0012","90","","90.056","0.004","90","","2468.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Co N6 S2 -","- C24 H32 Co N6 S2 -","- C96 H128 Co4 N24 S8 -","4","1","","Ghosh, Subrata; Selvamani, S.; Kamilya, Sujit; Mehta, Sakshi; Mondal, Abhishake","Tuning of Spin Crossover Properties in a Series of Mononuclear Cobalt(II) Complexes Based on Macrocyclic Tetradentate Ligand and Pseudohalide Coligands","Dalton Transactions","2020","","","","","10.1039/D0DT02546A","","","0.71073","MoKα","","0.0787","0.0419","","","0.0864","0.1026","","","","","","1.009","","","","has coordinates","255417","2020-10-21","18:00:00",""
"7705196","13.3379","0.0002","12.623","0.0002","18.7965","0.0004","90","","110.087","0.001","90","","2972.16","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Co N10 -","- C30 H32 Co N10 -","- C120 H128 Co4 N40 -","4","1","","Ghosh, Subrata; Selvamani, S.; Kamilya, Sujit; Mehta, Sakshi; Mondal, Abhishake","Tuning of Spin Crossover Properties in a Series of Mononuclear Cobalt(II) Complexes Based on Macrocyclic Tetradentate Ligand and Pseudohalide Coligands","Dalton Transactions","2020","","","","","10.1039/D0DT02546A","","","0.71073","MoKα","","0.0938","0.0447","","","0.1035","0.1247","","","","","","0.999","","","","has coordinates","255417","2020-10-21","18:00:00",""
"7705197","11.6185","0.0015","13.8515","0.0019","15.55","0.002","90","","90.276","0.007","90","","2502.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Co N6 Se2 -","- C24 H32 Co N6 Se2 -","- C96 H128 Co4 N24 Se8 -","4","1","","Ghosh, Subrata; Selvamani, S.; Kamilya, Sujit; Mehta, Sakshi; Mondal, Abhishake","Tuning of Spin Crossover Properties in a Series of Mononuclear Cobalt(II) Complexes Based on Macrocyclic Tetradentate Ligand and Pseudohalide Coligands","Dalton Transactions","2020","","","","","10.1039/D0DT02546A","","","0.71073","MoKα","","0.0556","0.0335","","","0.0682","0.0756","","","","","","1.014","","","","has coordinates","255417","2020-10-21","18:00:00",""
"7705198","20.6656","0.0019","25.056","0.002","22.596","0.002","90","","112.57","0.004","90","","10804","1.7","207","2","207.32","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 As4 Er6 K18 O210 W38 -","- C8 H6 As4 Er6 K18 O210 W38 -","- C16 H12 As8 Er12 K36 O420 W76 -","2","0.5","","Chen, Hanhan; Sun, Lin; Zhang, Jinpeng; Xiao, Zikang; Ma, Pengtao; Wang, Jingping; Zhang, Yiquan; Niu, Jingyang","Magnetic field and dilution effects on the slow relaxation of {Er<sub>3</sub>} triangle-based arsenotungstate single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12458","12465","10.1039/d0dt01831g","","","0.71073","MoKα","","0.0412","0.0348","","","0.0821","0.0849","","","","","","1.043","","","","has coordinates,has disorder","257562","2020-10-21","18:00:00",""
"7705199","20.6656","0.0019","25.056","0.002","22.596","0.002","90","","112.57","0.004","90","","10804","1.7","150","2","149.99","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 As4 K16 O208 W38 Y6 -","- C8 H6 As4 K16 O208 W38 Y6 -","- C16 H12 As8 K32 O416 W76 Y12 -","2","0.5","","Chen, Hanhan; Sun, Lin; Zhang, Jinpeng; Xiao, Zikang; Ma, Pengtao; Wang, Jingping; Zhang, Yiquan; Niu, Jingyang","Magnetic field and dilution effects on the slow relaxation of {Er<sub>3</sub>} triangle-based arsenotungstate single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12458","12465","10.1039/d0dt01831g","","","0.71073","MoKα","","0.0497","0.0394","","","0.0988","0.1045","","","","","","1.017","","","","has coordinates,has disorder","257562","2020-10-21","18:00:00",""
"7705200","20.52","0.003","24.926","0.004","22.516","0.003","90","","112.644","0.004","90","","10629","3","150","2","149.99","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 As4 Er0.3 K20 O219 W38 Y5.7 -","- C8 H6 As4 Er0.3 K20 O219 W38 Y5.7 -","- C16 H12 As8 Er0.6 K40 O438 W76 Y11.4 -","2","0.5","","Chen, Hanhan; Sun, Lin; Zhang, Jinpeng; Xiao, Zikang; Ma, Pengtao; Wang, Jingping; Zhang, Yiquan; Niu, Jingyang","Magnetic field and dilution effects on the slow relaxation of {Er<sub>3</sub>} triangle-based arsenotungstate single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12458","12465","10.1039/d0dt01831g","","","0.71073","MoKα","","0.0372","0.0305","","","0.0713","0.0744","","","","","","1.038","","","","has coordinates,has disorder","257562","2020-10-21","18:00:00",""
"7705201","18.0222","0.0005","8.267","0.0002","16.4946","0.0004","90","","95.6395","0.0017","90","","2445.63","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 N2 P -","- C28 H37 N2 P -","- C112 H148 N8 P4 -","4","1","","Siewert, Jan-Erik; Schumann, André; Fischer, Malte; Schmidt, Christoph; Taeufer, Tobias; Hering-Junghans, Christian","Terphenyl(bisamino)phosphines: electron-rich ligands for gold-catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12354","12364","10.1039/d0dt02435j","","","0.71073","MoKα","","0.0517","0.0409","","","0.1062","0.1169","","","","","","1.019","","","","has coordinates","257564","2020-10-21","18:00:00",""
"7705202","17.5138","0.0014","11.3336","0.0009","15.818","0.0013","90","","103.053","0.002","90","","3058.7","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Au B F4 N3 P -","- C30 H40 Au B0.999 F3.996 N3 P -","- C120 H160 Au4 B3.996 F15.984 N12 P4 -","4","1","","Siewert, Jan-Erik; Schumann, André; Fischer, Malte; Schmidt, Christoph; Taeufer, Tobias; Hering-Junghans, Christian","Terphenyl(bisamino)phosphines: electron-rich ligands for gold-catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12354","12364","10.1039/d0dt02435j","","","0.71073","MoKα","","0.05","0.025","","","0.0435","0.0502","","","","","","1.061","","","","has coordinates,has disorder","257564","2020-10-21","18:00:00",""
"7705203","8.7135","0.0007","25.58","0.002","13.8947","0.0011","90","","90.233","0.002","90","","3097","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H45 Au Cl N2 P -","- C32 H45 Au Cl N2 P -","- C128 H180 Au4 Cl4 N8 P4 -","4","1","","Siewert, Jan-Erik; Schumann, André; Fischer, Malte; Schmidt, Christoph; Taeufer, Tobias; Hering-Junghans, Christian","Terphenyl(bisamino)phosphines: electron-rich ligands for gold-catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12354","12364","10.1039/d0dt02435j","","","0.71073","MoKα","","0.0219","0.018","","","0.0412","0.0427","","","","","","1.049","","","","has coordinates","257564","2020-10-21","18:00:00",""
"7705204","9.0504","0.0011","26.005","0.003","12.5474","0.0015","90","","97.06","0.002","90","","2930.7","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H45 N2 P -","- C32 H45 N2 P -","- C128 H180 N8 P4 -","4","1","","Siewert, Jan-Erik; Schumann, André; Fischer, Malte; Schmidt, Christoph; Taeufer, Tobias; Hering-Junghans, Christian","Terphenyl(bisamino)phosphines: electron-rich ligands for gold-catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12354","12364","10.1039/d0dt02435j","","","0.71073","MoKα","","0.0544","0.0426","","","0.1158","0.1263","","","","","","1.029","","","","has coordinates,has disorder","257564","2020-10-21","18:00:00",""
"7705205","22.6214","0.0007","8.4955","0.0003","14.142","0.0004","90","","90","","90","","2717.81","0.15","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H37 Au Cl N2 P -","- C28 H37 Au Cl N2 P -","- C112 H148 Au4 Cl4 N8 P4 -","4","1","","Siewert, Jan-Erik; Schumann, André; Fischer, Malte; Schmidt, Christoph; Taeufer, Tobias; Hering-Junghans, Christian","Terphenyl(bisamino)phosphines: electron-rich ligands for gold-catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12354","12364","10.1039/d0dt02435j","","","0.71073","MoKα","","0.0293","0.026","","","0.0588","0.0601","","","","","","1.025","","","","has coordinates","257564","2020-10-21","18:00:00",""
"7705206","16.419","0.003","15.663","0.003","24.142","0.005","90","","90","","90","","6209","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H90 Ag2 Cl2 N4 P2 -","- C64 H90 Ag2 Cl2 N4 P2 -","- C256 H360 Ag8 Cl8 N16 P8 -","4","0.5","","Siewert, Jan-Erik; Schumann, André; Fischer, Malte; Schmidt, Christoph; Taeufer, Tobias; Hering-Junghans, Christian","Terphenyl(bisamino)phosphines: electron-rich ligands for gold-catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12354","12364","10.1039/d0dt02435j","","","0.71073","MoKα","","0.0386","0.0291","","","0.0749","0.0771","","","","","","0.929","","","","has coordinates,has disorder","257564","2020-10-21","18:00:00",""
"7705207","36.4006","0.0015","12.4031","0.0005","16.3034","0.0006","90","","113.205","0.001","90","","6765.2","0.5","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C33 H45 Au F3 N2 O3 P S -","- C33 H45 Au F3 N2 O3 P S -","- C264 H360 Au8 F24 N16 O24 P8 S8 -","8","1","","Siewert, Jan-Erik; Schumann, André; Fischer, Malte; Schmidt, Christoph; Taeufer, Tobias; Hering-Junghans, Christian","Terphenyl(bisamino)phosphines: electron-rich ligands for gold-catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12354","12364","10.1039/d0dt02435j","","","0.71073","MoKα","","0.0188","0.0159","","","0.0382","0.0391","","","","","","1.043","","","","has coordinates,has disorder","257564","2020-10-21","18:00:00",""
"7705208","9.7963","0.0009","14.592","0.0014","19.4635","0.0018","90","","98.4356","0.0016","90","","2752.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H74 Ag2 Cl2 N4 P2 -","- C56 H74 Ag2 Cl2 N4 P2 -","- C112 H148 Ag4 Cl4 N8 P4 -","2","0.5","","Siewert, Jan-Erik; Schumann, André; Fischer, Malte; Schmidt, Christoph; Taeufer, Tobias; Hering-Junghans, Christian","Terphenyl(bisamino)phosphines: electron-rich ligands for gold-catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12354","12364","10.1039/d0dt02435j","","","0.71073","MoKα","","0.0554","0.0349","","","0.083","0.0941","","","","","","1.022","","","","has coordinates,has disorder","257564","2020-10-21","18:00:00",""
"7705209","21.8546","0.0013","11.6516","0.0007","28.9714","0.0018","90","","104.839","0.003","90","","7131.3","0.8","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C33.5 H43 Au Cl F6 N3 P2 -","- C33.5 H43 Au Cl F6 N3 P2 -","- C268 H344 Au8 Cl8 F48 N24 P16 -","8","2","","Siewert, Jan-Erik; Schumann, André; Fischer, Malte; Schmidt, Christoph; Taeufer, Tobias; Hering-Junghans, Christian","Terphenyl(bisamino)phosphines: electron-rich ligands for gold-catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12354","12364","10.1039/d0dt02435j","","","1.54178","CuKα","","0.0459","0.042","","","0.1023","0.1051","","","","","","1.029","","","","has coordinates","257564","2020-10-21","18:00:00",""
"7705210","16.097","0.005","8.503","0.003","19.088","0.006","90","","114.725","0.004","90","","2373.1","1.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 O11 Pr -","- C25 H18 N2 O11 Pr -","- C100 H72 N8 O44 Pr4 -","4","1","","Du, Yi; Yang, Huayong; Liu, Ruijuan; Shao, Caiyun; Yang, Lirong","A multi-responsive chemosensor for highly sensitive and selective detection of Fe<sup>3+</sup>, Cu<sup>2+</sup>, Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> and nitrobenzene based on a luminescent lanthanide metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13003","13016","10.1039/d0dt02120b","","","0.71073","MoKα","","0.0279","0.0254","","","0.0657","0.0673","","","","","","1.043","","","","has coordinates","257515","2020-10-21","18:00:00",""
"7705211","16.213","0.003","8.5404","0.0014","19.151","0.004","90","","114.685","0.003","90","","2409.4","0.8","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Eu N2 O11 -","- C25 H18 Eu N2 O11 -","- C100 H72 Eu4 N8 O44 -","4","1","","Du, Yi; Yang, Huayong; Liu, Ruijuan; Shao, Caiyun; Yang, Lirong","A multi-responsive chemosensor for highly sensitive and selective detection of Fe<sup>3+</sup>, Cu<sup>2+</sup>, Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> and nitrobenzene based on a luminescent lanthanide metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13003","13016","10.1039/d0dt02120b","","","0.71073","MoKα","","0.133","0.06","","","0.1018","0.1291","","","","","","0.94","","","","has coordinates","257515","2020-10-21","18:00:00",""
"7705212","16.2535","0.0018","8.5688","0.0009","19.213","0.002","90","","114.707","0.0016","90","","2430.9","0.5","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 Nd O11 -","- C25 H18 N2 Nd O11 -","- C100 H72 N8 Nd4 O44 -","4","1","","Du, Yi; Yang, Huayong; Liu, Ruijuan; Shao, Caiyun; Yang, Lirong","A multi-responsive chemosensor for highly sensitive and selective detection of Fe<sup>3+</sup>, Cu<sup>2+</sup>, Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> and nitrobenzene based on a luminescent lanthanide metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13003","13016","10.1039/d0dt02120b","","","0.71073","MoKα","","0.0324","0.0257","","","0.0589","0.0621","","","","","","1.031","","","","has coordinates","257515","2020-10-21","18:00:00",""
"7705213","16.2883","0.001","8.5827","0.0005","19.2359","0.0012","90","","114.725","0.0009","90","","2442.6","0.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Ce N2 O11 -","- C25 H18 Ce N2 O11 -","- C100 H72 Ce4 N8 O44 -","4","1","","Du, Yi; Yang, Huayong; Liu, Ruijuan; Shao, Caiyun; Yang, Lirong","A multi-responsive chemosensor for highly sensitive and selective detection of Fe<sup>3+</sup>, Cu<sup>2+</sup>, Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> and nitrobenzene based on a luminescent lanthanide metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13003","13016","10.1039/d0dt02120b","","","0.71073","MoKα","","0.0386","0.028","","","0.0592","0.0637","","","","","","1.012","","","","has coordinates","257515","2020-10-21","18:00:00",""
"7705214","16.2397","0.0014","8.5555","0.0007","19.2033","0.0017","90","","114.753","0.0012","90","","2422.9","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 O11 Sm -","- C25 H18 N2 O11 Sm -","- C100 H72 N8 O44 Sm4 -","4","1","","Du, Yi; Yang, Huayong; Liu, Ruijuan; Shao, Caiyun; Yang, Lirong","A multi-responsive chemosensor for highly sensitive and selective detection of Fe<sup>3+</sup>, Cu<sup>2+</sup>, Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> and nitrobenzene based on a luminescent lanthanide metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13003","13016","10.1039/d0dt02120b","","","0.71073","MoKα","","0.0376","0.0323","","","0.0895","0.0931","","","","","","1.072","","","","has coordinates","257515","2020-10-21","18:00:00",""
"7705215","16.398","0.008","8.627","0.004","19.391","0.009","90","","115.01","","90","","2486","2","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 La N2 O11 -","- C25 H18 La N2 O11 -","- C100 H72 La4 N8 O44 -","4","1","","Du, Yi; Yang, Huayong; Liu, Ruijuan; Shao, Caiyun; Yang, Lirong","A multi-responsive chemosensor for highly sensitive and selective detection of Fe<sup>3+</sup>, Cu<sup>2+</sup>, Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> and nitrobenzene based on a luminescent lanthanide metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13003","13016","10.1039/d0dt02120b","","","0.71073","MoKα","","0.1056","0.0534","","","0.094","0.1127","","","","","","0.933","","","","has coordinates","257515","2020-10-21","18:00:00",""
"7705216","9.7685","0.0013","10.294","0.0014","11.1361","0.0015","116.86","0.003","94.106","0.004","90.486","0.004","995.4","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 B10 F10 -","- C14 H10 B10 F10 -","- C28 H20 B20 F20 -","2","1","","Shida, Naoki; Owaki, Satoshi; Eguchi, Hiroshi; Nishikawa, Takanobu; Tomita, Ikuyoshi; Inagi, Shinsuke","Bis(pentafluorophenyl)-o-carborane and its arylthio derivatives: synthesis, electrochemistry and optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12985","12989","10.1039/d0dt02205e","","","0.71075","MoKα","","0.1412","0.0612","","","0.1493","0.2085","","","","","","1.092","","","","has coordinates","257518","2020-10-21","18:00:00",""
"7705217","28.3905","0.0012","7.0545","0.0004","28.8336","0.0015","90","","90","","90","","5774.8","0.5","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H20 B10 F8 S2 -","- C26 H20 B10 F8 S2 -","- C208 H160 B80 F64 S16 -","8","2","","Shida, Naoki; Owaki, Satoshi; Eguchi, Hiroshi; Nishikawa, Takanobu; Tomita, Ikuyoshi; Inagi, Shinsuke","Bis(pentafluorophenyl)-o-carborane and its arylthio derivatives: synthesis, electrochemistry and optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12985","12989","10.1039/d0dt02205e","","","0.71075","MoKα","","0.1312","0.1171","","","0.3492","0.3603","","","","","","1.459","","","","has coordinates","257518","2020-10-21","18:00:00",""
"7705218","5.2013","0.0003","8.4703","0.0004","16.6563","0.0007","81.037","0.004","84.396","0.004","77.057","0.004","704.94","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H44 O8 Rh2 -","- C24 H44 O8 Rh2 -","- C24 H44 O8 Rh2 -","1","0.5","","Kataoka, Yusuke; Kohara, Yoshihiro; Yano, Natsumi; Kawamoto, Tatsuya","Unique vapochromism of a paddlewheel-type dirhodium complex accompanied by dynamic structural and phase transitions.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14373","14377","10.1039/d0dt02672g","","","0.71075","MoKα","","0.026","0.0232","","","0.0629","0.0757","","","","","","1.184","","","","has coordinates","258796","2020-11-06","11:59:25",""
"7705219","8.2724","0.0003","10.7362","0.0005","11.2851","0.0006","113.792","0.005","99.705","0.004","92.156","0.003","897.75","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H54 N2 O8 Rh2 -","- C34 H54 N2 O8 Rh2 -","- C34 H54 N2 O8 Rh2 -","1","0.5","","Kataoka, Yusuke; Kohara, Yoshihiro; Yano, Natsumi; Kawamoto, Tatsuya","Unique vapochromism of a paddlewheel-type dirhodium complex accompanied by dynamic structural and phase transitions.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14373","14377","10.1039/d0dt02672g","","","0.71075","MoKα","","0.0397","0.0379","","","0.094","0.0956","","","","","","1.049","","","","has coordinates","258796","2020-11-06","11:59:26",""
"7705220","30.1315","0.0006","10.2338","0.00018","22.3582","0.0004","90","","105.984","0.002","90","","6627.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H98 N2 O16 Rh4 -","- C58 H98 N2 O16 Rh4 -","- C232 H392 N8 O64 Rh16 -","4","1","","Kataoka, Yusuke; Kohara, Yoshihiro; Yano, Natsumi; Kawamoto, Tatsuya","Unique vapochromism of a paddlewheel-type dirhodium complex accompanied by dynamic structural and phase transitions.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14373","14377","10.1039/d0dt02672g","","","0.71075","MoKα","","0.0521","0.0442","","","0.098","0.1016","","","","","","1.114","","","","has coordinates","258796","2020-11-06","11:59:26",""
"7705221","13.9587","0.0003","13.9699","0.0006","16.9802","0.0004","105.169","0.001","111.992","0.001","95.683","0.001","2890.57","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis(1,2,3,4-tetrakis(iso-propyl)cyclopentadienyl)-tetrakis(tert-butyl-isocyano)-uranium(iv) bis(tetrakis(pentafluorophenyl)borate)","","- C102 H94 B2 F40 N4 U -","- C102 H94 B2 F40 N4 U -","- C102 H94 B2 F40 N4 U -","1","0.5","","Boreen, Michael A.; Groß, Oliver A; Hohloch, Stephan; Arnold, John","Isocyanide adducts of tri- and tetravalent uranium metallocenes supported by tetra(isopropyl)cyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11971","11977","10.1039/d0dt02005b","","","0.71073","MoKα","","0.0811","0.0745","","","0.1881","0.1936","","","","","","1.063","","","","has coordinates","256104","2020-10-21","18:00:00",""
"7705222","10.3988","0.0009","11.2181","0.0011","18.702","0.002","100.465","0.005","96.791","0.005","110.915","0.004","1963.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(1,2,3,4-tetrakis(iso-propyl)cyclopentadienyl)-(tert-butyl-isocyano)-iodo-uranium(iii)","","- C39 H67 I N U -","- C39 H67 I N U -","- C78 H134 I2 N2 U2 -","2","1","","Boreen, Michael A.; Groß, Oliver A; Hohloch, Stephan; Arnold, John","Isocyanide adducts of tri- and tetravalent uranium metallocenes supported by tetra(isopropyl)cyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11971","11977","10.1039/d0dt02005b","","","0.71073","MoKα","","0.0613","0.0452","","","0.1108","0.1209","","","","","","1.048","","","","has coordinates","256104","2020-10-21","18:00:00",""
"7705223","18.2004","0.0004","19.9489","0.0003","19.6155","0.0004","90","","111.882","0.002","90","","6608.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(1,2,3,4-tetrakis(iso-propyl)cyclopentadienyl)-bis(tert-butyl-isocyano)-iodo-uranium(iv) tetrakis(pentafluorophenyl)borate","","- C68 H76 B F20 I N2 U -","- C68 H76 B F20 I N2 U -","- C272 H304 B4 F80 I4 N8 U4 -","4","1","","Boreen, Michael A.; Groß, Oliver A; Hohloch, Stephan; Arnold, John","Isocyanide adducts of tri- and tetravalent uranium metallocenes supported by tetra(isopropyl)cyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11971","11977","10.1039/d0dt02005b","","x-ray","0.71073","MoKα","","0.0411","0.0317","","","0.0744","0.0775","","","","","","1.053","","","","has coordinates","256104","2020-10-21","18:00:00",""
"7705224","10.7803","0.0013","11.487","0.0012","11.5255","0.0015","90","","103.371","0.01","90","","1388.6","0.3","180","2","180.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Mn2 N16 O2 -","- C20 H28 Mn2 N16 O2 -","- C40 H56 Mn4 N32 O4 -","2","0.5","","Pandit, Nithun Ranjan; Bej, Sourav; Mondal, Ananya; Ghosh, Meenakshi; Kostakis, George E.; Powell, Annie K.; Banerjee, Priyabrata; Biswas, Biplab","Exploratory studies on azido-bridged complexes (Ni<sup>2+</sup> and Mn<sup>2+</sup>) as dual colourimetric chemosensors for S<sup>2-</sup> and Ag<sup>+</sup>: combined experimental and theoretical outcomes with real field applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13090","13099","10.1039/d0dt02846k","","","0.71073","MoKα","","0.0328","0.0252","","","0.0679","0.0703","","","","","","1.028","","","","has coordinates","257503","2020-10-21","18:00:00",""
"7705225","11.6224","0.0009","16.354","0.002","10.1679","0.001","90","","104.008","0.007","90","","1875.2","0.3","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 N18 Ni2 O4 -","- C26 H42 N18 Ni2 O4 -","- C52 H84 N36 Ni4 O8 -","2","0.5","","Pandit, Nithun Ranjan; Bej, Sourav; Mondal, Ananya; Ghosh, Meenakshi; Kostakis, George E.; Powell, Annie K.; Banerjee, Priyabrata; Biswas, Biplab","Exploratory studies on azido-bridged complexes (Ni<sup>2+</sup> and Mn<sup>2+</sup>) as dual colourimetric chemosensors for S<sup>2-</sup> and Ag<sup>+</sup>: combined experimental and theoretical outcomes with real field applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13090","13099","10.1039/d0dt02846k","","","0.71073","MoKα","","0.0884","0.0378","","","0.0562","0.0664","","","","","","0.881","","","","has coordinates","257503","2020-10-21","18:00:00",""
"7705226","7.61","0.002","13.099","0.004","19.064","0.006","101.261","0.005","96.918","0.005","96.3","0.005","1832.8","0.9","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H23 F6 N4 O3 P Ru -","- C34 H23 F6 N4 O3 P Ru -","- C68 H46 F12 N8 O6 P2 Ru2 -","2","1","","Zeng, L.; Sirbu, D.; Waddell, P. G.; Tkachenko, N. V.; Probert, M. R.; Benniston, A. C.","Hydrogen peroxide assisted photorelease of an anthraquinone-based ligand from [Ru(2,2'-bipyridine)<sub>2</sub>(9,10-dioxo-9,10-dihydroanthracen-1-olate)]Cl in aqueous solution.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13243","13252","10.1039/d0dt02339f","","x-ray","0.6889","","","0.1","0.0788","","","0.2087","0.2228","","","","","","1.088","","","","has coordinates","258870","2020-11-06","12:24:24",""
"7705227","31.279","0.004","11.3928","0.0006","21.323","0.003","90","","130.59","0.02","90","","5770","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H25 Co Eu N8 O11 -","- C20 H25 Co Eu N8 O11 -","- C160 H200 Co8 Eu8 N64 O88 -","8","1","","Li, Meng-Hua; Lv, Shu-Li; You, Ming-Hua; Lin, Mei-Jin","Three-component D-A hybrid heterostructures with enhanced photochromic, photomodulated luminescence and selective anion-sensing properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13083","13089","10.1039/d0dt02390f","","x-ray","0.71073","MoKα","","0.0539","0.0357","","","0.0803","0.086","","","","","","1.083","","","","has coordinates","257505","2020-10-21","18:00:00",""
"7705228","31.267","0.002","11.4024","0.0006","21.1252","0.0014","90","","130.659","0.002","90","","5713.4","0.6","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H24.5 Co N8 O10.5 Sm -","- C20 H24.5 Co N8 O10.5 Sm -","- C160 H196 Co8 N64 O84 Sm8 -","8","1","","Li, Meng-Hua; Lv, Shu-Li; You, Ming-Hua; Lin, Mei-Jin","Three-component D-A hybrid heterostructures with enhanced photochromic, photomodulated luminescence and selective anion-sensing properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13083","13089","10.1039/d0dt02390f","","","0.71073","MoKα","","0.0329","0.0283","","","0.0658","0.0692","","","","","","1.043","","","","has coordinates","257505","2020-10-21","18:00:00",""
"7705229","31.279","0.005","11.3714","0.001","21.267","0.004","90","","130.46","0.03","90","","5755","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Co Dy N8 O9 -","- C20 H22 Co Dy N8 O9 -","- C160 H176 Co8 Dy8 N64 O72 -","8","1","","Li, Meng-Hua; Lv, Shu-Li; You, Ming-Hua; Lin, Mei-Jin","Three-component D-A hybrid heterostructures with enhanced photochromic, photomodulated luminescence and selective anion-sensing properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13083","13089","10.1039/d0dt02390f","","x-ray","0.71073","MoKα","","0.0918","0.0667","","","0.1912","0.2527","","","","","","1.049","","","","has coordinates","257505","2020-10-21","18:00:00",""
"7705230","25.427","0.0009","12.1243","0.0005","33.2299","0.001","90","","100.785","0.003","90","","10063.3","0.6","293","2","293","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","DS05","","- C50 H53 Ag Cl2 N5 O3 P2 S0.12 -","- C51 H52 Ag Cl N4 O3 P2 S -","- C408 H416 Ag8 Cl8 N32 O24 P16 S8 -","8","1","","Silva, Débora E S; Becceneri, Amanda B.; Santiago, João V B; Gomes Neto, José A; Ellena, Javier; Cominetti, Márcia R; Pereira, José C M; Hannon, Michael J.; Netto, Adelino V. G.","Silver(I) complexes of 3-methoxy-4-hydroxybenzaldehyde thiosemicarbazones and triphenylphosphine: structural, cytotoxicity, and apoptotic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16474","16487","10.1039/d0dt01134g","","x-ray","0.71073","MoKα","","0.0628","0.0366","","","0.0722","0.0882","","","","","","1.06","","","","has coordinates","260771","2021-01-07","06:26:22",""
"7705231","25.5169","0.001","10.2681","0.0003","43.641","0.0013","90","","102.951","0.003","90","","11143.5","0.7","298","","298","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","DES 6","","- C47 H49 Ag Cl2 N6 O2 P2 S0.12 -","- C52 H54 Ag Cl N4 O2 P2 S -","- C416 H432 Ag8 Cl8 N32 O16 P16 S8 -","8","1","","Silva, Débora E S; Becceneri, Amanda B.; Santiago, João V B; Gomes Neto, José A; Ellena, Javier; Cominetti, Márcia R; Pereira, José C M; Hannon, Michael J.; Netto, Adelino V. G.","Silver(I) complexes of 3-methoxy-4-hydroxybenzaldehyde thiosemicarbazones and triphenylphosphine: structural, cytotoxicity, and apoptotic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16474","16487","10.1039/d0dt01134g","","x-ray","0.71073","MoKα","","0.1286","0.053","","","0.1186","0.1488","","","","","","1.01","","","","has coordinates","260771","2021-01-07","06:26:22",""
"7705232","9.1955","0.0003","15.873","0.0005","16.3458","0.0005","90","","92.775","0.003","90","","2383.04","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 N O3 S -","- C28 H27 N O3 S -","- C112 H108 N4 O12 S4 -","4","2","","Sha, Fanrui; Shimizu, Emily A.; Slocumb, Hannah S.; Towell, Sydney E.; Zhen, Yi; Porter, Hanna Z.; Takase, Michael K.; Johnson, Adam R.","Catalytic intramolecular hydroamination of aminoallenes using titanium and tantalum complexes of sterically encumbered chiral sulfonamides.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12418","12431","10.1039/d0dt02557g","","x-ray","0.71073","MoKα","","0.0947","0.0562","","","0.0993","0.1117","","","","","","1.016","","","","has coordinates","257552","2020-10-21","18:00:00",""
"7705233","8.8756","0.0013","11.4888","0.0011","34.989","0.005","90","","90","","90","","3567.8","0.8","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H39 F6 N4 O3 S Ta -","- C35 H39 F6 N4 O3 S Ta -","- C140 H156 F24 N16 O12 S4 Ta4 -","4","1","","Sha, Fanrui; Shimizu, Emily A.; Slocumb, Hannah S.; Towell, Sydney E.; Zhen, Yi; Porter, Hanna Z.; Takase, Michael K.; Johnson, Adam R.","Catalytic intramolecular hydroamination of aminoallenes using titanium and tantalum complexes of sterically encumbered chiral sulfonamides.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12418","12431","10.1039/d0dt02557g","","","1.54178","CuKα","","0.0205","0.0205","","","0.0506","0.0506","","","","","","1.082","","","","has coordinates","257552","2020-10-21","18:00:00",""
"7705234","8.1293","0.0008","21.067","0.002","24.63","0.002","90","","90","","90","","4218.1","0.7","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 F6 N4 O3 S Ti -","- C42 H48 F6 N4 O3 S Ti -","- C168 H192 F24 N16 O12 S4 Ti4 -","4","1","","Sha, Fanrui; Shimizu, Emily A.; Slocumb, Hannah S.; Towell, Sydney E.; Zhen, Yi; Porter, Hanna Z.; Takase, Michael K.; Johnson, Adam R.","Catalytic intramolecular hydroamination of aminoallenes using titanium and tantalum complexes of sterically encumbered chiral sulfonamides.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12418","12431","10.1039/d0dt02557g","","","1.54178","CuKα","","0.0349","0.0326","","","0.0828","0.0847","","","","","","1.037","","","","has coordinates,has disorder","257552","2020-10-21","18:00:00",""
"7705235","10.0894","0.001","11.9917","0.0013","28.308","0.003","90","","90","","90","","3425","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H40 F3 N4 O3 S Ta -","- C34 H40 F3 N4 O3 S Ta -","- C136 H160 F12 N16 O12 S4 Ta4 -","4","1","","Sha, Fanrui; Shimizu, Emily A.; Slocumb, Hannah S.; Towell, Sydney E.; Zhen, Yi; Porter, Hanna Z.; Takase, Michael K.; Johnson, Adam R.","Catalytic intramolecular hydroamination of aminoallenes using titanium and tantalum complexes of sterically encumbered chiral sulfonamides.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12418","12431","10.1039/d0dt02557g","","","0.71073","MoKα","","0.029","0.0236","","","0.0419","0.043","","","","","","1.016","","","","has coordinates,has disorder","257552","2020-10-21","18:00:00",""
"7705236","13.3873","0.001","15.0633","0.0013","16.524","0.0013","90","","90","","90","","3332.2","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H43 N4 O3 S Ta -","- C34 H43 N4 O3 S Ta -","- C136 H172 N16 O12 S4 Ta4 -","4","1","","Sha, Fanrui; Shimizu, Emily A.; Slocumb, Hannah S.; Towell, Sydney E.; Zhen, Yi; Porter, Hanna Z.; Takase, Michael K.; Johnson, Adam R.","Catalytic intramolecular hydroamination of aminoallenes using titanium and tantalum complexes of sterically encumbered chiral sulfonamides.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12418","12431","10.1039/d0dt02557g","","","0.71073","MoKα","","0.0201","0.018","","","0.0375","0.038","","","","","","0.993","","","","has coordinates,has disorder","257552","2020-10-21","18:00:00",""
"7705237","12.5415","0.0004","13.9618","0.0004","15.2652","0.0004","67.212","0.003","82.957","0.002","83.194","0.002","2438.35","0.13","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H43 Co F12 N13 O4 P2 -","- C44 H43 Co F12 N13 O4 P2 -","- C88 H86 Co2 F24 N26 O8 P4 -","2","1","","Melle, Philipp; Ségaud, Nathalie; Albrecht, Martin","Ambidentate bonding and electrochemical implications of pincer-type pyridylidene amide ligands in complexes of nickel, cobalt and zinc.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12662","12673","10.1039/d0dt02482a","","x-ray","0.71073","MoKα","","0.067","0.0497","","","0.1136","0.1237","","","","","","1.026","","","","has coordinates","257541","2020-10-21","18:00:00",""
"7705238","11.94056","0.00017","21.9377","0.0004","16.2425","0.0002","90","","93.144","0.0013","90","","4248.29","0.11","173.01","0.1","173.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Co F12 N10 O4 P2 -","- C38 H34 Co F12 N10 O4 P2 -","- C152 H136 Co4 F48 N40 O16 P8 -","4","1","","Melle, Philipp; Ségaud, Nathalie; Albrecht, Martin","Ambidentate bonding and electrochemical implications of pincer-type pyridylidene amide ligands in complexes of nickel, cobalt and zinc.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12662","12673","10.1039/d0dt02482a","","x-ray","0.71073","MoKα","","0.0702","0.0585","","","0.1509","0.1581","","","","","","1.117","","","","has coordinates,has disorder","257541","2020-10-21","18:00:00",""
"7705239","17.4295","0.0004","14.5425","0.0003","7.9196","0.0002","90","","100.252","0.002","90","","1975.32","0.08","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Cl2 Co N5 O3 -","- C19 H19 Cl2 Co N5 O3 -","- C76 H76 Cl8 Co4 N20 O12 -","4","0.5","","Melle, Philipp; Ségaud, Nathalie; Albrecht, Martin","Ambidentate bonding and electrochemical implications of pincer-type pyridylidene amide ligands in complexes of nickel, cobalt and zinc.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12662","12673","10.1039/d0dt02482a","","x-ray","0.71073","MoKα","","0.0308","0.026","","","0.0653","0.0679","","","","","","1.038","","","","has coordinates","257541","2020-10-21","18:00:00",""
"7705240","7.9978","0.0002","9.273","0.0002","14.4181","0.0004","102.016","0.002","99.28","0.002","104.188","0.002","988.23","0.05","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H17 Cl2 Co N5 O2 -","- C19 H17 Cl2 Co N5 O2 -","- C38 H34 Cl4 Co2 N10 O4 -","2","1","","Melle, Philipp; Ségaud, Nathalie; Albrecht, Martin","Ambidentate bonding and electrochemical implications of pincer-type pyridylidene amide ligands in complexes of nickel, cobalt and zinc.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12662","12673","10.1039/d0dt02482a","","x-ray","0.71073","MoKα","","0.0486","0.0333","","","0.0707","0.0776","","","","","","1.033","","","","has coordinates","257541","2020-10-21","18:00:00",""
"7705241","20.8421","0.0001","13.9804","0.0001","19.0077","0.0001","90","","95.099","0.001","90","","5516.56","0.06","173.01","0.1","173.01","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C23 H29 Cl2 Co N5 O4 S2 -","- C23 H29 Cl2 Co N5 O4 S2 -","- C184 H232 Cl16 Co8 N40 O32 S16 -","8","1","","Melle, Philipp; Ségaud, Nathalie; Albrecht, Martin","Ambidentate bonding and electrochemical implications of pincer-type pyridylidene amide ligands in complexes of nickel, cobalt and zinc.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12662","12673","10.1039/d0dt02482a","","x-ray","1.54184","CuKα","","0.0373","0.0339","","","0.0833","0.0849","","","","","","1.043","","","","has coordinates","257541","2020-10-21","18:00:00",""
"7705242","12.5126","0.0003","13.9713","0.0004","15.2848","0.0004","67.053","0.002","82.782","0.002","82.793","0.002","2432.53","0.12","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H43 F12 N13 Ni O4 P2 -","- C44 H43 F12 N13 Ni O4 P2 -","- C88 H86 F24 N26 Ni2 O8 P4 -","2","1","","Melle, Philipp; Ségaud, Nathalie; Albrecht, Martin","Ambidentate bonding and electrochemical implications of pincer-type pyridylidene amide ligands in complexes of nickel, cobalt and zinc.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12662","12673","10.1039/d0dt02482a","","x-ray","0.71073","MoKα","","0.0731","0.0509","","","0.1118","0.1239","","","","","","1.027","","","","has coordinates","257541","2020-10-21","18:00:00",""
"7705243","11.976","0.0002","21.8343","0.0003","16.1933","0.0002","90","","92.267","0.001","90","","4231.03","0.11","173","0.1","173","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 F12 N10 Ni O4 P2 -","- C38 H34 F12 N10 Ni O4 P2 -","- C152 H136 F48 N40 Ni4 O16 P8 -","4","1","","Melle, Philipp; Ségaud, Nathalie; Albrecht, Martin","Ambidentate bonding and electrochemical implications of pincer-type pyridylidene amide ligands in complexes of nickel, cobalt and zinc.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12662","12673","10.1039/d0dt02482a","","x-ray","0.71073","MoKα","","0.1133","0.0651","","","0.1344","0.1578","","","","","","1.021","","","","has coordinates","257541","2020-10-21","18:00:00",""
"7705244","12.4959","0.0003","12.8519","0.0004","13.2986","0.0003","77.984","0.002","77.089","0.002","64.978","0.002","1870.64","0.09","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H32 F12 N10 O2 P2 Ru -","- C29 H32 F12 N10 O2 P2 Ru -","- C58 H64 F24 N20 O4 P4 Ru2 -","2","1","","Melle, Philipp; Ségaud, Nathalie; Albrecht, Martin","Ambidentate bonding and electrochemical implications of pincer-type pyridylidene amide ligands in complexes of nickel, cobalt and zinc.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12662","12673","10.1039/d0dt02482a","","x-ray","0.71073","MoKα","","0.0361","0.0319","","","0.0796","0.0824","","","","","","1.074","","","","has coordinates,has disorder","257541","2020-10-21","18:00:00",""
"7705245","13.05781","0.00013","14.7905","0.0002","24.4665","0.0003","90","","99.3165","0.001","90","","4662.92","0.1","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 Co F18 N10 O6 P3 -","- C38 H38 Co F18 N10 O6 P3 -","- C152 H152 Co4 F72 N40 O24 P12 -","4","1","","Melle, Philipp; Ségaud, Nathalie; Albrecht, Martin","Ambidentate bonding and electrochemical implications of pincer-type pyridylidene amide ligands in complexes of nickel, cobalt and zinc.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12662","12673","10.1039/d0dt02482a","","x-ray","0.71073","MoKα","","0.0816","0.0584","","","0.1544","0.1661","","","","","","1.102","","","","has coordinates","257541","2020-10-21","18:00:00",""
"7705246","16.993","0.002","16.993","0.002","16.993","0.002","90","","90","","90","","4906.9","1","296","2","240","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C24 H30 N12 O4 Zn3 -","- C24 H30 N12 O4 Zn3 -","- C96 H120 N48 O16 Zn12 -","4","0.0833333","","Ji, Peng; Tian, Renbing; Zheng, Hua; Jiang, Jin-Gang; Sun, Jinghua; Peng, Junbiao","Solvent-free synthesis of ZIF-8 from zinc acetate with the assistance of sodium hydroxide.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12555","12558","10.1039/d0dt02856h","","","1.54178","CuKα","","0.0512","0.051","","","0.1424","0.1431","","","","","","1.393","","","","has coordinates","257539","2020-10-21","18:00:00",""
"7705247","10.5844","0.0003","27.3756","0.0008","28.6573","0.0007","90","","99.505","0.002","90","","8189.6","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C144 H178 B4 N28 O8 W4 -","- C144 H178 B4 N28 O8 W4 -","- C288 H356 B8 N56 O16 W8 -","2","0.5","","Frogley, Benjamin J.; Hill, Anthony F.","Carbyne decorated porphyrins.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12390","12400","10.1039/d0dt02809f","","","1.54184","CuKα","","0.0662","0.0458","","","0.1119","0.1228","","","","","","0.995","","","","has coordinates","257566","2020-10-21","18:00:00",""
"7705248","31.9296","0.0006","8.1535","0.0001","18.8459","0.0003","90","","90","","90","","4906.3","0.13","150","0.1","150","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H26 B N7 O2 W -","- C23 H26 B N7 O2 W -","- C184 H208 B8 N56 O16 W8 -","8","2","","Frogley, Benjamin J.; Hill, Anthony F.","Carbyne decorated porphyrins.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12390","12400","10.1039/d0dt02809f","","","1.54184","CuKα","","0.0565","0.0515","","","0.1198","0.1226","","","","","","1.11","","","","has coordinates,has disorder","257566","2020-10-21","18:00:00",""
"7705249","12.0635","0.0012","14.5979","0.0011","24.2222","0.0012","80.549","0.005","83.197","0.006","73.876","0.008","4030.2","0.6","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C116 H112 B4 N28 O8 W4 Zn -","- C116 H112 B4 N28 O8 W4 Zn -","- C116 H112 B4 N28 O8 W4 Zn -","1","0.5","","Frogley, Benjamin J.; Hill, Anthony F.","Carbyne decorated porphyrins.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12390","12400","10.1039/d0dt02809f","","","1.54184","CuKα","","0.1318","0.0777","","","0.1927","0.2276","","","","","","0.932","","","","has coordinates","257566","2020-10-21","18:00:00",""
"7705250","15.2352","0.0012","15.6101","0.001","16.9339","0.0015","86.793","0.006","67.571","0.008","80.675","0.006","3673.3","0.5","150.01","0.1","150.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C116 H114 Au4 B4 Cl4 N28 O8 W4 -","- C116 H114 Au4 B4 Cl4 N28 O8 W4 -","- C116 H114 Au4 B4 Cl4 N28 O8 W4 -","1","0.5","","Frogley, Benjamin J.; Hill, Anthony F.","Carbyne decorated porphyrins.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12390","12400","10.1039/d0dt02809f","","x-ray","1.54184","CuKα","","0.0896","0.0608","","","0.1451","0.1704","","","","","","1.001","","","","has coordinates","257566","2020-10-21","18:00:00",""
"7705251","10.65","0.0009","12.1479","0.0011","13.1931","0.0012","108.267","0.003","101.159","0.002","106.443","0.003","1478","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H46 Cu4 N8 O29 W6 -","- C48 H46 Cu4 N8 O29 W6 -","- C48 H46 Cu4 N8 O29 W6 -","1","0.5","","Shen, Guodong; Wang, Zeyou; Huang, Xianqiang; Gong, Shuwen; Zhang, Jiangong; Tang, Zhenfei; Sun, Manman; Lv, Xin","Bonded- and discreted-Lindqvist hexatungstate-based copper hybrids as heterogeneous catalysts for the one-pot synthesis of 2-phenylquinoxalines <i>via</i> 2-haloanilines with vinyl azides or 3-phenyl-2<i>H</i>-azirines.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13993","13998","10.1039/d0dt02625e","","","0.71073","MoKα","","0.0697","0.0585","","","0.1874","0.1953","","","","","","1.081","","","","has coordinates","258855","2020-11-06","12:19:28",""
"7705252","9.58","0.002","4.8156","0.001","12.595","0.003","90","","103.16","0.03","90","","565.8","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C30 H24 N4 -","2","1","","Shen, Guodong; Wang, Zeyou; Huang, Xianqiang; Gong, Shuwen; Zhang, Jiangong; Tang, Zhenfei; Sun, Manman; Lv, Xin","Bonded- and discreted-Lindqvist hexatungstate-based copper hybrids as heterogeneous catalysts for the one-pot synthesis of 2-phenylquinoxalines <i>via</i> 2-haloanilines with vinyl azides or 3-phenyl-2<i>H</i>-azirines.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13993","13998","10.1039/d0dt02625e","","","1.54184","CuKα","","0.091","0.0716","","","0.2276","0.2693","","","","","","1.139","","","","has coordinates","258855","2020-11-06","12:19:31",""
"7705253","26.174","0.002","16.2204","0.0014","14.0404","0.0012","90","","118.393","0.004","90","","5243.8","0.8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H37 Cl Cu2 N8 O21 W6 -","- C48 H37 Cl Cu2 N8 O21 W6 -","- C192 H148 Cl4 Cu8 N32 O84 W24 -","4","0.5","","Shen, Guodong; Wang, Zeyou; Huang, Xianqiang; Gong, Shuwen; Zhang, Jiangong; Tang, Zhenfei; Sun, Manman; Lv, Xin","Bonded- and discreted-Lindqvist hexatungstate-based copper hybrids as heterogeneous catalysts for the one-pot synthesis of 2-phenylquinoxalines <i>via</i> 2-haloanilines with vinyl azides or 3-phenyl-2<i>H</i>-azirines.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13993","13998","10.1039/d0dt02625e","","","0.71073","MoKα","","0.1045","0.0551","","","0.1587","0.1894","","","","","","1.073","","","","has coordinates","258855","2020-11-06","12:19:33",""
"7705254","12.2679","0.0005","24.0778","0.0019","24.2183","0.0008","90","","90","","90","","7153.7","0.7","150","0.1","150","0.1","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C26 H33 Au B Cl F6 N6 O2 P2 W -","- C26 H33 Au B Cl F6 N6 O2 P2 W -","- C208 H264 Au8 B8 Cl8 F48 N48 O16 P16 W8 -","8","1","","Onn, Chee S.; Hill, Anthony F.; Olding, Angus","Metal coordination of phosphoniocarbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12731","12741","10.1039/d0dt02737e","","x-ray","0.71073","MoKα","","0.0997","0.0669","","","0.1528","0.176","","","","","","1.1","","","","has coordinates","257545","2020-10-21","18:00:00",""
"7705255","16.5808","0.0004","14.449","0.0004","22.7627","0.0006","90","","93.001","0.002","90","","5445.9","0.2","150","0.1","150","0.1","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","Compound_8","","- C47 H56 B Cl3 F6 N8 O2 P2 Pt W -","- C47 H56 B Cl3 F6 N8 O2 P2 Pt W -","- C188 H224 B4 Cl12 F24 N32 O8 P8 Pt4 W4 -","4","1","","Onn, Chee S.; Hill, Anthony F.; Olding, Angus","Metal coordination of phosphoniocarbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12731","12741","10.1039/d0dt02737e","","x-ray","0.71073","MoKα","","0.0649","0.0402","","","0.0631","0.0699","","","","","","0.964","","","","has coordinates","257545","2020-10-21","18:00:00",""
"7705256","13.3582","0.0008","16.9977","0.001","17.9256","0.0011","111.35","0.006","100.699","0.005","90.294","0.005","3713.2","0.4","150.01","0.1","150.01","0.1","","","","","","","","10","P -1","-P 1","2","","","","- C52 H66 B2 Cl2 Cu2 F12 N12 O4 P4 W2 -","- C52 H66 B2 Cl2 Cu2 F12 N12 O4 P4 W2 -","- C104 H132 B4 Cl4 Cu4 F24 N24 O8 P8 W4 -","2","1","","Onn, Chee S.; Hill, Anthony F.; Olding, Angus","Metal coordination of phosphoniocarbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12731","12741","10.1039/d0dt02737e","","x-ray","1.54184","CuKα","","0.1126","0.0797","","","0.1821","0.2025","","","","","","1.034","","","","has coordinates","298328","2025-03-07","16:31:41",""
"7705257","14.6038","0.0003","14.028","0.0003","23.5934","0.0005","90","","97.914","0.002","90","","4787.36","0.18","150","0.1","150","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H51 B F6 N8 O2 P2 Pt W -","- C36 H51 B F6 N8 O2 P2 Pt W -","- C144 H204 B4 F24 N32 O8 P8 Pt4 W4 -","4","1","","Onn, Chee S.; Hill, Anthony F.; Olding, Angus","Metal coordination of phosphoniocarbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12731","12741","10.1039/d0dt02737e","","","0.71073","MoKα","","0.0413","0.0301","","","0.0581","0.0621","","","","","","1.02","","","","has coordinates","257545","2020-10-21","18:00:00",""
"7705258","15.0989","0.0004","23.4132","0.0006","24.3451","0.0008","90","","101.691","0.003","90","","8427.8","0.4","150","0.1","150","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C34 H45 B F6 N6 O2 P2 Pt W -","- C34 H45 B F6 N6 O2 P2 Pt W -","- C272 H360 B8 F48 N48 O16 P16 Pt8 W8 -","8","2","","Onn, Chee S.; Hill, Anthony F.; Olding, Angus","Metal coordination of phosphoniocarbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12731","12741","10.1039/d0dt02737e","","x-ray","0.71073","MoKα","","0.1073","0.0598","","","0.107","0.1258","","","","","","1.028","","","","has coordinates,has disorder","257545","2020-10-21","18:00:00",""
"7705259","22.7787","0.0006","6.4712","0.0002","25.0606","0.0007","90","","90.101","0.002","90","","3694.07","0.18","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- As2 Ba4 Hg S10 -","- As2 Ba4 Hg S10 -","- As16 Ba32 Hg8 S80 -","8","1","","Xing, Wenhao; Wang, Naizheng; Li, Zhuang; Liu, Wenhao; Tang, Jian; Yin, Wenlong; Lin, Zheshuai; Kang, Bin; Yao, Jiyong","New quaternary chalcogenide Ba<sub>4</sub>HgAs<sub>2</sub>S<sub>10</sub> originating from the combination of linear [HgS<sub>2</sub>]<sup>2-</sup> and tetrahedral [AsS<sub>4</sub>]<sup>3-</sup> modules.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13060","13065","10.1039/d0dt02781b","","x-ray","0.71073","MoKα","","0.0193","0.0181","","","0.0435","0.0439","","","","","","1.154","","","","has coordinates","257513","2020-10-21","18:00:00",""
"7705260","31.541","0.002","9.6191","0.0008","14.6584","0.001","90","","95.861","0.002","90","","4424.1","0.6","180","2","180","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H32 Mn N8 -","- C44 H32 Mn N8 -","- C176 H128 Mn4 N32 -","4","1","","Xu, Bo-Wei; Niu, Ru-Jie; Liu, Quan; Yang, Jun-Yi; Zhang, Wen-Hua; Young, David J.","Similarities and differences between Mn(II) and Zn(II) coordination polymers supported by porphyrin-based ligands: synthesis, structures and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12622","12631","10.1039/d0dt02450c","","","0.71073","MoKα","","0.1672","0.0793","","","0.1559","0.1896","","","","","","0.965","","","","has coordinates","257543","2020-10-21","18:00:00",""
"7705261","9.8328","0.0013","9.1345","0.0012","20.405","0.003","90","","103.554","0.005","90","","1781.7","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 N8 O4 Zn -","- C44 H32 N8 O4 Zn -","- C88 H64 N16 O8 Zn2 -","2","0.5","","Xu, Bo-Wei; Niu, Ru-Jie; Liu, Quan; Yang, Jun-Yi; Zhang, Wen-Hua; Young, David J.","Similarities and differences between Mn(II) and Zn(II) coordination polymers supported by porphyrin-based ligands: synthesis, structures and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12622","12631","10.1039/d0dt02450c","","","0.71073","MoKα","","0.1065","0.064","","","0.1694","0.2069","","","","","","1.084","","","","has coordinates","257543","2020-10-21","18:00:00",""
"7705262","9.86","0.0014","9.1501","0.0012","20.476","0.003","90","","103.826","0.004","90","","1793.8","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 Mn N8 O4 -","- C44 H32 Mn N8 O4 -","- C88 H64 Mn2 N16 O8 -","2","0.5","","Xu, Bo-Wei; Niu, Ru-Jie; Liu, Quan; Yang, Jun-Yi; Zhang, Wen-Hua; Young, David J.","Similarities and differences between Mn(II) and Zn(II) coordination polymers supported by porphyrin-based ligands: synthesis, structures and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12622","12631","10.1039/d0dt02450c","","","0.71073","MoKα","","0.1752","0.1266","","","0.2949","0.3296","","","","","","1.149","","","","has coordinates","257543","2020-10-21","18:00:00",""
"7705263","31.6289","0.0018","9.5751","0.0005","14.6667","0.0008","90","","96.004","0.002","90","","4417.4","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 N8 Zn -","- C44 H32 N8 Zn -","- C176 H128 N32 Zn4 -","4","0.5","","Xu, Bo-Wei; Niu, Ru-Jie; Liu, Quan; Yang, Jun-Yi; Zhang, Wen-Hua; Young, David J.","Similarities and differences between Mn(II) and Zn(II) coordination polymers supported by porphyrin-based ligands: synthesis, structures and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12622","12631","10.1039/d0dt02450c","","","1.34138","GaKα","","0.0933","0.0834","","","0.2571","0.2655","","","","","","1.066","","","","has coordinates,has disorder","257543","2020-10-21","18:00:00",""
"7705264","8.554","0.003","11.089","0.004","11.895","0.004","90.098","0.009","110.13","0.012","90.113","0.009","1059.4","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N3 O7 Zn -","- C20 H20 N3 O7 Zn -","- C40 H40 N6 O14 Zn2 -","2","1","","Paul, Anup; Das, Kabita; Karmakar, Anirban; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","A mechanistic insight into the rapid and selective removal of Congo Red by an amide functionalised Zn(ii) coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12970","12984","10.1039/d0dt02172e","","","0.71073","MoKα","","0.0599","0.0485","","","0.1173","0.1298","","","","","","1.103","","","","has coordinates","257511","2020-10-21","18:00:00",""
"7705265","17.1194","0.0013","5.1144","0.0003","25.2616","0.0015","90","","92.795","0.004","90","","2209.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N4 O6 Pb -","- C26 H18 N4 O6 Pb -","- C104 H72 N16 O24 Pb4 -","4","1","","Paul, Anup; Das, Kabita; Karmakar, Anirban; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","A mechanistic insight into the rapid and selective removal of Congo Red by an amide functionalised Zn(ii) coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12970","12984","10.1039/d0dt02172e","","","0.71073","MoKα","","0.0199","0.0152","","","0.0413","0.0438","","","","","","1.069","","","","has coordinates","257511","2020-10-21","18:00:00",""
"7705266","7.7745","0.0005","8.7385","0.0006","10.6928","0.0007","105.022","0.002","95.322","0.003","116.297","0.002","610.66","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cd N4 O8 -","- C26 H22 Cd N4 O8 -","- C26 H22 Cd N4 O8 -","1","0.5","","Paul, Anup; Das, Kabita; Karmakar, Anirban; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","A mechanistic insight into the rapid and selective removal of Congo Red by an amide functionalised Zn(ii) coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12970","12984","10.1039/d0dt02172e","","","0.71073","MoKα","","0.0167","0.0166","","","0.0443","0.0444","","","","","","1.109","","","","has coordinates","257511","2020-10-21","18:00:00",""
"7705267","14.6369","0.0009","14.6369","0.0009","14.6369","0.0009","90","","90","","90","","3135.8","0.3","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","[Co(CO)3(iPr2PNHiPr)]2","","- C12 H22 Co N O3 P -","- C11.9988 H21.9978 Co N0.9999 O2.9997 P0.9999 -","- C95.9904 H175.982 Co8 N7.9992 O23.9976 P7.9992 -","8","0.333333","","Kephart, Jonathan A.; Boggiano, Andrew C.; Kaminsky, Werner; Velian, Alexandra","Inorganic clusters as metalloligands: ligand effects on the synthesis and properties of ternary nanopropeller clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16464","16473","10.1039/d0dt02416c","","x-ray","0.71073","MoKα","","0.1349","0.0414","","","0.0983","0.1479","","","","","","1.014","","","","has coordinates,has disorder","260793","2021-01-07","06:33:02",""
"7705268","21.536","0.001","21.536","0.001","17.0203","0.0017","90","","90","","120","","6836.4","0.8","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","Co6Se8(Ph2PNHiPr)6","","- C90 H108 Co6 N6 P6 Se8 -","- C90 H108 Co6 N6 P6 Se8 -","- C270 H324 Co18 N18 P18 Se24 -","3","0.166667","","Kephart, Jonathan A.; Boggiano, Andrew C.; Kaminsky, Werner; Velian, Alexandra","Inorganic clusters as metalloligands: ligand effects on the synthesis and properties of ternary nanopropeller clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16464","16473","10.1039/d0dt02416c","","x-ray","0.71073","MoKα","","0.0577","0.0294","","","0.0564","0.0675","","","","","","1.068","","","","has coordinates","260793","2021-01-07","06:33:03",""
"7705269","22.463","0.003","16.532","0.003","19.79","0.003","90","","96.433","0.013","90","","7303","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Co4Se2(CO)6(Ph2PNHiPr)4","","- C66 H72 Co4 N4 O6 P4 Se2 -","- C66 H72 Co4 N4 O6 P4 Se2 -","- C264 H288 Co16 N16 O24 P16 Se8 -","4","0.5","","Kephart, Jonathan A.; Boggiano, Andrew C.; Kaminsky, Werner; Velian, Alexandra","Inorganic clusters as metalloligands: ligand effects on the synthesis and properties of ternary nanopropeller clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16464","16473","10.1039/d0dt02416c","","x-ray","0.71073","MoKα","","0.1276","0.0595","","","0.1402","0.1756","","","","","","0.963","","","","has coordinates","260793","2021-01-07","06:33:03",""
"7705270","14.2628","0.0008","14.2802","0.0009","15.0757","0.0009","112.912","0.003","112.532","0.003","99.092","0.003","2436.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[Co6Se8(Ph2PNHiPr)6][PF6]","","- C90 H108 Co6 F6 N6 P7 Se8 -","- C90 H108 Co6 F6 N6 P7 Se8 -","- C90 H108 Co6 F6 N6 P7 Se8 -","1","0.5","","Kephart, Jonathan A.; Boggiano, Andrew C.; Kaminsky, Werner; Velian, Alexandra","Inorganic clusters as metalloligands: ligand effects on the synthesis and properties of ternary nanopropeller clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16464","16473","10.1039/d0dt02416c","","x-ray","0.71073","MoKα","","0.0713","0.041","","","0.0786","0.0861","","","","","","0.993","","","","has coordinates,has disorder","260793","2021-01-07","06:33:03",""
"7705271","29.1239","0.0018","14.1669","0.001","26.9352","0.0018","90","","102.301","0.003","90","","10858.2","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Fe3Co6Se8(Ph2PNiPr)6","","- C105.75 H125.5 Co6 Fe3 N6 P6 Se8 -","- C105.752 H125.496 Co6 Fe3 N6 P6 Se8 -","- C423.008 H501.984 Co24 Fe12 N24 P24 Se32 -","4","1","","Kephart, Jonathan A.; Boggiano, Andrew C.; Kaminsky, Werner; Velian, Alexandra","Inorganic clusters as metalloligands: ligand effects on the synthesis and properties of ternary nanopropeller clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16464","16473","10.1039/d0dt02416c","","x-ray","0.71073","MoKα","","0.0948","0.0416","","","0.0817","0.0981","","","","","","1.002","","","","has coordinates,has disorder","260793","2021-01-07","06:33:03",""
"7705272","10.968","0.002","11.693","0.003","25.67","0.005","85.582","0.011","78.46","0.011","81.148","0.011","3183.5","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Co3Se(PPh2)(CO)4(Ph2PNHiPr)3","","- C65 H74 Co3 N3 O5 P4 Se -","- C65 H74 Co3 N3 O5 P4 Se -","- C130 H148 Co6 N6 O10 P8 Se2 -","2","1","","Kephart, Jonathan A.; Boggiano, Andrew C.; Kaminsky, Werner; Velian, Alexandra","Inorganic clusters as metalloligands: ligand effects on the synthesis and properties of ternary nanopropeller clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16464","16473","10.1039/d0dt02416c","","x-ray","0.71073","MoKα","","0.0896","0.0475","","","0.094","0.1097","","","","","","1.012","","","","has coordinates","260793","2021-01-07","06:33:03",""
"7705273","18.8172","0.0015","22.3972","0.0016","25.035","0.002","90","","92.286","0.004","90","","10542.7","1.4","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","Zn3Co6Se8(Ph2PNiPr)6","","- C90 H102.68 Co6 N6 P6 Se8 Zn2.66 -","- C90 H102.675 Co6 N6 P6 Se8 Zn2.6625 -","- C360 H410.7 Co24 N24 P24 Se32 Zn10.65 -","4","2","","Kephart, Jonathan A.; Boggiano, Andrew C.; Kaminsky, Werner; Velian, Alexandra","Inorganic clusters as metalloligands: ligand effects on the synthesis and properties of ternary nanopropeller clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16464","16473","10.1039/d0dt02416c","","x-ray","0.71073","MoKα","","0.0656","0.0379","","","0.0703","0.0786","","","","","","1.018","","","","has coordinates,has disorder","260793","2021-01-07","06:33:03",""
"7705274","18.4644","0.0018","12.0348","0.0012","47.112","0.005","90","","95.726","0.002","90","","10416.8","1.8","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H68 N4 P2 -","- C62 H68 N4 P2 -","- C496 H544 N32 P16 -","8","1","","Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Schulz, Axel; Villinger, Alexander","Reversible switching between housane and cyclopentanediyl isomers: an isonitrile-catalysed thermal reverse reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13986","13992","10.1039/d0dt02688c","","","0.71073","MoKα","","0.0743","0.0445","","","0.1007","0.1155","","","","","","1.016","","","","has coordinates","258844","2020-11-06","12:17:04",""
"7705275","8.3926","0.0006","5.4095","0.0003","10.6751","0.0008","90","","111.049","0.008","90","","452.31","0.06","288","11","288","11","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Br F2 Ga O6 Pb2 Se2 -","- Br F2 Ga O6 Pb2 Se2 -","- Br2 F4 Ga2 O12 Pb4 Se4 -","2","1","","Zhao, Huanke; Gong, Pifu; Zhang, Xinyuan; Lin, Zheshuai; Hu, Zhanggui; Wu, Yicheng","Selenite bromide nonlinear optical materials Pb<sub>2</sub>GaF<sub>2</sub>(SeO<sub>3</sub>)<sub>2</sub>Br and Pb<sub>2</sub>NbO<sub>2</sub>(SeO<sub>3</sub>)<sub>2</sub>Br: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14046","14051","10.1039/d0dt02514c","","","0.71073","MoKα","","0.0272","0.0234","","","0.0604","0.0611","","","","","","1.062","","","","has coordinates","258840","2020-11-06","12:16:08",""
"7705276","8.5893","0.0009","5.4553","0.0004","10.8098","0.001","90","","111.962","0.012","90","","469.76","0.08","296.29","0.1","296.29","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Br Nb O8 Pb2 Se2 -","- Br Nb O8 Pb2 Se2 -","- Br2 Nb2 O16 Pb4 Se4 -","2","1","","Zhao, Huanke; Gong, Pifu; Zhang, Xinyuan; Lin, Zheshuai; Hu, Zhanggui; Wu, Yicheng","Selenite bromide nonlinear optical materials Pb<sub>2</sub>GaF<sub>2</sub>(SeO<sub>3</sub>)<sub>2</sub>Br and Pb<sub>2</sub>NbO<sub>2</sub>(SeO<sub>3</sub>)<sub>2</sub>Br: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14046","14051","10.1039/d0dt02514c","","","0.71073","MoKα","","0.0274","0.0258","","","0.0521","0.0526","","","","","","1.021","","","","has coordinates","258840","2020-11-06","12:16:09",""
"7705277","12.3221","0.0003","18.2014","0.0006","18.6062","0.0006","90","","97.754","0.003","90","","4134.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 Cl Cu N6 O4 -","- C48 H38 Cl Cu N6 O4 -","- C192 H152 Cl4 Cu4 N24 O16 -","4","1","","Kumari, Sheela; Muthuramalingam, Sethuraman; Dhara, Ashish Kumar; Singh, U. P.; Mayilmurugan, Ramasamy; Ghosh, Kaushik","Cu(I) complexes obtained <i>via</i> spontaneous reduction of Cu(II) complexes supported by designed bidentate ligands: bioinspired Cu(I) based catalysts for aromatic hydroxylation.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13829","13839","10.1039/d0dt02413a","","","0.71073","MoKα","","0.0823","0.0507","","","0.1107","0.1241","","","","","","1.016","","","","has coordinates","258820","2020-11-06","12:09:36",""
"7705278","14.307","0.003","11.256","0.002","20.349","0.004","90","","90","","90","","3277","1.1","100","","100","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C29 H25 Mo N7 -","- C29 H25 Mo N7 -","- C116 H100 Mo4 N28 -","4","0.25","","Cha, Jeongmin; Kwon, Hyunchul; Song, Hayoung; Lee, Eunsung","Dinitrogen activation by a penta-pyridyl molybdenum complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12945","12949","10.1039/d0dt02692a","","","0.7","Synchrotron","","0.0578","0.0567","","","0.154","0.1546","","","","","","1.118","","","","has coordinates,has disorder","257517","2020-10-21","18:00:00",""
"7705279","14.427","0.005","18.077","0.01","11.027","0.004","90","","113.285","0.008","90","","2642","2","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H37 N3 Na2 O4 -","- C27 H37 N3 Na2 O4 -","- C108 H148 N12 Na8 O16 -","4","0.5","","Cha, Jeongmin; Kwon, Hyunchul; Song, Hayoung; Lee, Eunsung","Dinitrogen activation by a penta-pyridyl molybdenum complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12945","12949","10.1039/d0dt02692a","","","0.71073","MoKα","","0.1064","0.0617","","","0.1477","0.1886","","","","","","0.96","","","","has coordinates","257517","2020-10-21","18:00:00",""
"7705280","13.0435","0.0007","35.1784","0.0017","10.3323","0.0005","90","","91.933","0.002","90","","4738.3","0.4","120","2","119.89","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- In4 S12 Sn2 -","- In4 S12 Sn2 -","- In16 S48 Sn8 -","4","1","","Wu, Sijie; Wu, Zhou; Wang, Xiao-Li; Wang, Xiang; Zhou, Rui; Li, Dong-Sheng; Wu, Tao","Two new layered metal chalcogenide frameworks as photocatalysts for highly efficient and selective dye degradation.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13276","13281","10.1039/d0dt02454f","","","0.71073","MoKα","","0.058","0.0423","","","0.1095","0.1189","","","","","","1.042","","","","has coordinates","258867","2020-11-06","12:23:37",""
"7705281","23.9507","0.0016","12.4142","0.0009","22.5931","0.0016","90","","90","","90","","6717.6","0.8","120","2","119.99","","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","","- S17 Sn8 -","- S17 Sn8 -","- S68 Sn32 -","4","0.5","","Wu, Sijie; Wu, Zhou; Wang, Xiao-Li; Wang, Xiang; Zhou, Rui; Li, Dong-Sheng; Wu, Tao","Two new layered metal chalcogenide frameworks as photocatalysts for highly efficient and selective dye degradation.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13276","13281","10.1039/d0dt02454f","","","0.71073","MoKα","","0.1289","0.0493","","","0.139","0.1906","","","","","","1.008","","","","has coordinates","258867","2020-11-06","12:23:37",""
"7705282","21.1904","0.0015","7.7771","0.0005","30.828","0.002","90","","90","","90","","5080.5","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H8 Br3 N Pb -","- C9 H8 Br3 N Pb -","- C144 H128 Br48 N16 Pb16 -","16","2","","Guo, Yuan-Yuan; Lightfoot, Philip","Structural diversity of lead halide chain compounds, APbX<sub>3</sub>, templated by isomeric molecular cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12767","12775","10.1039/d0dt02782k","","","0.71075","MoKα","","0.0589","0.0397","","","0.0966","0.1093","","","","","","1.071","","","","has coordinates","257544","2020-10-21","18:00:00",""
"7705283","4.3634","0.0004","22.5833","0.0018","13.1074","0.0011","90","","99.068","0.008","90","","1275.46","0.19","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Br3 N Pb -","- C9 H8 Br3 N Pb -","- C36 H32 Br12 N4 Pb4 -","4","1","","Guo, Yuan-Yuan; Lightfoot, Philip","Structural diversity of lead halide chain compounds, APbX<sub>3</sub>, templated by isomeric molecular cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12767","12775","10.1039/d0dt02782k","","","0.71075","MoKα","","0.0407","0.025","","","0.0484","0.0507","","","","","","0.87","","","","has coordinates","257544","2020-10-21","18:00:00",""
"7705284","4.3397","0.0002","22.5309","0.0017","13.0048","0.001","90","","98.941","0.006","90","","1256.12","0.15","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Br3 N Pb -","- C9 H8 Br3 N Pb -","- C36 H32 Br12 N4 Pb4 -","4","1","","Guo, Yuan-Yuan; Lightfoot, Philip","Structural diversity of lead halide chain compounds, APbX<sub>3</sub>, templated by isomeric molecular cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12767","12775","10.1039/d0dt02782k","","","0.71075","MoKα","","0.0408","0.0349","","","0.0767","0.078","","","","","","0.944","","","","has coordinates","257544","2020-10-21","18:00:00",""
"7705285","25.767","0.002","4.6411","0.0004","25.931","0.002","90","","115.396","0.007","90","","2801.4","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 I3 N Pb -","- C9 H8 I3 N Pb -","- C72 H64 I24 N8 Pb8 -","8","1","","Guo, Yuan-Yuan; Lightfoot, Philip","Structural diversity of lead halide chain compounds, APbX<sub>3</sub>, templated by isomeric molecular cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12767","12775","10.1039/d0dt02782k","","","0.71075","MoKα","","0.0583","0.04","","","0.0954","0.1017","","","","","","0.909","","","","has coordinates","257544","2020-10-21","18:00:00",""
"7705286","21.3526","0.0015","7.7783","0.0005","31.168","0.0002","90","","90","","90","","5176.6","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H8 Br3 N Pb -","- C9 H8 Br3 N Pb -","- C144 H128 Br48 N16 Pb16 -","16","2","","Guo, Yuan-Yuan; Lightfoot, Philip","Structural diversity of lead halide chain compounds, APbX<sub>3</sub>, templated by isomeric molecular cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12767","12775","10.1039/d0dt02782k","","","0.71075","MoKα","","0.0692","0.0412","","","0.0979","0.112","","","","","","0.912","","","","has coordinates","257544","2020-10-21","18:00:00",""
"7705287","25.845","0.002","4.654","0.0004","26.044","0.002","90","","115.392","0.007","90","","2830","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 I3 N Pb -","- C9 H8 I3 N Pb -","- C72 H64 I24 N8 Pb8 -","8","1","","Guo, Yuan-Yuan; Lightfoot, Philip","Structural diversity of lead halide chain compounds, APbX<sub>3</sub>, templated by isomeric molecular cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12767","12775","10.1039/d0dt02782k","","","0.71075","MoKα","","0.0529","0.0299","","","0.0617","0.0662","","","","","","0.89","","","","has coordinates","257544","2020-10-21","18:00:00",""
"7705288","13.858","0.005","15.952","0.004","20.649","0.005","90","","90","","90","","4565","2","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C5 H51 Mo9 N6 O43 V -","- C5 H51 Mo9 N6 O43 V -","- C20 H204 Mo36 N24 O172 V4 -","4","0.5","","Qu, Di; Liu, Xiaoting; Duan, Fengxue; Xue, Rong; Li, Bao; Wu, Lixin","{VMo<sub>9</sub>O<sub>31</sub>[RC(CH<sub>2</sub>O)<sub>3</sub>]}<sup>6-</sup>: the first class of triol ligand covalently-decorated Keggin-type polyoxomolybdates.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12950","12954","10.1039/d0dt02506b","","","0.71073","MoKα","","0.017","0.0168","","","0.0488","0.0489","","","","","","1.141","","","","has coordinates","257516","2020-10-21","18:00:00",""
"7705289","13.8761","0.0009","16.0198","0.001","20.6578","0.0013","90","","90","","90","","4592.1","0.5","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C5 H51 Mo9 N6 O44 V -","- C5 H51 Mo9 N6 O44 V -","- C20 H204 Mo36 N24 O176 V4 -","4","0.5","","Qu, Di; Liu, Xiaoting; Duan, Fengxue; Xue, Rong; Li, Bao; Wu, Lixin","{VMo<sub>9</sub>O<sub>31</sub>[RC(CH<sub>2</sub>O)<sub>3</sub>]}<sup>6-</sup>: the first class of triol ligand covalently-decorated Keggin-type polyoxomolybdates.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12950","12954","10.1039/d0dt02506b","","","0.71073","MoKα","","0.0278","0.026","","","0.0677","0.0693","","","","","","1.075","","","","has coordinates,has disorder","257516","2020-10-21","18:00:00",""
"7705290","10.4969","0.0006","10.5584","0.0005","21.9105","0.0013","95.231","0.002","102.317","0.002","97.4","0.002","2335","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H53 Mo9 N6 O43 V -","- C6 H53 Mo9 N6 O43 V -","- C12 H106 Mo18 N12 O86 V2 -","2","1","","Qu, Di; Liu, Xiaoting; Duan, Fengxue; Xue, Rong; Li, Bao; Wu, Lixin","{VMo<sub>9</sub>O<sub>31</sub>[RC(CH<sub>2</sub>O)<sub>3</sub>]}<sup>6-</sup>: the first class of triol ligand covalently-decorated Keggin-type polyoxomolybdates.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12950","12954","10.1039/d0dt02506b","","","0.71073","MoKα","","0.0343","0.0322","","","0.083","0.0842","","","","","","1.116","","","","has coordinates","257516","2020-10-21","18:00:00",""
"7705291","39.725","0.002","16.7767","0.0009","7.7208","0.0004","90","","90.621","0.002","90","","5145.3","0.5","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","RuAQSA","","- C26 H25 Cl N2 O Ru -","- C26 H25 Cl N2 O Ru -","- C208 H200 Cl8 N16 O8 Ru8 -","8","1","","Kumar, Priyaranjan; Mondal, Indranil; Kulshreshtha, Ritu; Patra, Ashis K.","Development of novel ruthenium(II)-arene complexes displaying potent anticancer effects in glioblastoma cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13294","13310","10.1039/d0dt02167a","","x-ray","0.71073","MoKα","","0.1057","0.0597","","","0.1223","0.1369","","","","","","1.028","","","","has coordinates","258871","2020-11-06","12:24:35",""
"7705292","32.1158","0.0018","4.7986","0.0003","22.4568","0.0014","90","","122.361","0.003","90","","2923.3","0.3","273","2","273.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","AQNA","","- C40 H30 N4 O3 -","- C40 H30 N4 O3 -","- C160 H120 N16 O12 -","4","0.5","","Kumar, Priyaranjan; Mondal, Indranil; Kulshreshtha, Ritu; Patra, Ashis K.","Development of novel ruthenium(II)-arene complexes displaying potent anticancer effects in glioblastoma cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13294","13310","10.1039/d0dt02167a","","","0.71073","MoKα","","0.0792","0.0452","","","0.0964","0.1092","","","","","","1.031","","","","has coordinates","258871","2020-11-06","12:24:45",""
"7705293","20.1972","0.0012","17.0661","0.0009","7.6153","0.0004","90","","99.273","0.002","90","","2590.6","0.2","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","RuAQNA","","- C30 H27 Cl N2 O Ru -","- C30 H27 Cl N2 O Ru -","- C120 H108 Cl4 N8 O4 Ru4 -","4","1","","Kumar, Priyaranjan; Mondal, Indranil; Kulshreshtha, Ritu; Patra, Ashis K.","Development of novel ruthenium(II)-arene complexes displaying potent anticancer effects in glioblastoma cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13294","13310","10.1039/d0dt02167a","","x-ray","0.71073","MoKα","","0.0932","0.0536","","","0.1025","0.1136","","","","","","1.013","","","","has coordinates","258871","2020-11-06","12:24:48",""
"7705294","13.3509","0.0008","14.4698","0.0007","19.8148","0.0011","92.73","0.004","101.278","0.005","104.065","0.005","3623.2","0.4","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C42 H58 N2 O46 S4 Si W12 -","- C42 H58 N2 O46 S4 Si W12 -","- C84 H116 N4 O92 S8 Si2 W24 -","2","1","","Kar, Aranya; Pradeep, Chullikkattil P.","Post-functionalization through covalent modification of organic counter ions: a stepwise and controlled approach for novel hybrid polyoxometalate materials.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12174","12179","10.1039/d0dt01410a","","x-ray","0.71073","MoKα","","0.0846","0.0602","","","0.1408","0.1625","","","","","","1.026","","","","has coordinates","257570","2020-10-21","18:00:00",""
"7705295","13.3411","0.0013","14.4694","0.0009","19.6679","0.0017","93.167","0.006","100.73","0.008","104.086","0.007","3597.9","0.5","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C42 H58 Mo12 N2 O46 S4 Si -","- C42 H58 Mo12 N2 O46 S4 Si -","- C84 H116 Mo24 N4 O92 S8 Si2 -","2","1","","Kar, Aranya; Pradeep, Chullikkattil P.","Post-functionalization through covalent modification of organic counter ions: a stepwise and controlled approach for novel hybrid polyoxometalate materials.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12174","12179","10.1039/d0dt01410a","","x-ray","0.71073","MoKα","","0.1049","0.0812","","","0.203","0.2349","","","","","","1.074","","","","has coordinates","257570","2020-10-21","18:00:00",""
"7705296","18.675","0.002","10.7526","0.0012","19.19","0.003","90","","109.521","0.014","90","","3631.9","0.9","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 Ag Cl N O4 P -","- C44 H32 Ag Cl N O4 P -","- C176 H128 Ag4 Cl4 N4 O16 P4 -","4","1","","Expósito, J Emilio; Aullón, Gabriel; Bardají, Manuel; Miguel, Jesús A; Espinet, Pablo","Fluorescent perylenylpyridine complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13326","13338","10.1039/d0dt02494e","","","0.71073","MoKα","","0.096","0.0488","","","0.0961","0.1146","","","","","","1.018","","","","has coordinates,has disorder","258860","2020-11-06","12:22:07",""
"7705297","18.6782","0.0008","17.1192","0.0005","16.1066","0.0007","90","","116.206","0.006","90","","4620.8","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H38 N2 O4 Pd2 -","- C56 H38 N2 O4 Pd2 -","- C224 H152 N8 O16 Pd8 -","4","0.5","","Expósito, J Emilio; Aullón, Gabriel; Bardají, Manuel; Miguel, Jesús A; Espinet, Pablo","Fluorescent perylenylpyridine complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13326","13338","10.1039/d0dt02494e","","","0.71073","MoKα","","0.0506","0.0329","","","0.0741","0.0841","","","","","","1.011","","","","has coordinates","258860","2020-11-06","12:22:16",""
"7705298","7.845","0.0002","19.7471","0.0006","29.7999","0.001","90","","90","","90","","4616.5","0.2","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H23 N O2 Pt -","- C31 H23 N O2 Pt -","- C248 H184 N8 O16 Pt8 -","8","1","","Expósito, J Emilio; Aullón, Gabriel; Bardají, Manuel; Miguel, Jesús A; Espinet, Pablo","Fluorescent perylenylpyridine complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13326","13338","10.1039/d0dt02494e","","","0.71073","MoKα","","0.0574","0.0325","","","0.053","0.0596","","","","","","1.069","","","","has coordinates","258860","2020-11-06","12:22:16",""
"7705299","7.9934","0.0003","15.8415","0.0008","18.4651","0.0007","90","","100.105","0.004","90","","2301.92","0.17","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 N O2 Pd -","- C31 H23 N O2 Pd -","- C124 H92 N4 O8 Pd4 -","4","1","","Expósito, J Emilio; Aullón, Gabriel; Bardají, Manuel; Miguel, Jesús A; Espinet, Pablo","Fluorescent perylenylpyridine complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13326","13338","10.1039/d0dt02494e","","","0.71073","MoKα","","0.1089","0.0491","","","0.072","0.0903","","","","","","0.998","","","","has coordinates","258860","2020-11-06","12:22:16",""
"7705300","7.7315","0.0005","12.3683","0.0005","13.9478","0.0004","80.964","0.003","84.5","0.004","81.117","0.004","1297.91","0.11","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 I N O2 Pt -","- C32 H26 I N O2 Pt -","- C64 H52 I2 N2 O4 Pt2 -","2","1","","Expósito, J Emilio; Aullón, Gabriel; Bardají, Manuel; Miguel, Jesús A; Espinet, Pablo","Fluorescent perylenylpyridine complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13326","13338","10.1039/d0dt02494e","","x-ray","0.71073","MoKα","","0.0482","0.0356","","","0.0673","0.0751","","","","","","1.036","","","","has coordinates","258860","2020-11-06","12:22:16",""
"7705301","19.885","0.0004","15.3326","0.0003","7.25084","0.00018","90","","90","","90","","2210.7","0.08","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H19 N O Pd S2 -","- C28 H19 N O Pd S2 -","- C112 H76 N4 O4 Pd4 S8 -","4","1","","Expósito, J Emilio; Aullón, Gabriel; Bardají, Manuel; Miguel, Jesús A; Espinet, Pablo","Fluorescent perylenylpyridine complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13326","13338","10.1039/d0dt02494e","","","0.71073","MoKα","","0.0416","0.0308","","","0.0608","0.0675","","","","","","1.068","","","","has coordinates","258860","2020-11-06","12:22:16",""
"7705302","21.9461","0.0013","13.7526","0.0007","27.5646","0.0014","90","","91.034","0.002","90","","8318.1","0.8","173","2","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4.97 H3.52 F0.73 Ir0.12 N0.61 O0.12 P0.12 -","- C4.9697 H3.51515 F0.727273 Ir0.121212 N0.606061 O0.121212 P0.121212 -","- C328 H232 F48 Ir8 N40 O8 P8 -","66","8.25","","Pei, Yu; Xie, Jiaxin; Cui, Dongxu; Liu, Shengnan; Li, Guangfu; Zhu, Dongxia; Su, Zhongmin","A mechanochromic cyclemetalated cationic Ir(iii) complex with AIE activity by strategic modification of ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13066","13071","10.1039/d0dt02526g","","","0.71073","MoKα","","0.0301","0.0252","","","0.0605","0.062","","","","","","1.13","","","","has coordinates,has disorder","257508","2020-10-21","18:00:00",""
"7705303","10.5032","0.0003","11.9399","0.0004","18.1307","0.0006","88.758","0.001","76.633","0.001","74.371","0.001","2128.33","0.12","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C41 H25 F10 Ir N5 O P -","- C41 H25 F10 Ir N5 O P -","- C82 H50 F20 Ir2 N10 O2 P2 -","2","1","","Pei, Yu; Xie, Jiaxin; Cui, Dongxu; Liu, Shengnan; Li, Guangfu; Zhu, Dongxia; Su, Zhongmin","A mechanochromic cyclemetalated cationic Ir(iii) complex with AIE activity by strategic modification of ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13066","13071","10.1039/d0dt02526g","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","257508","2020-10-21","18:00:00",""
"7705304","24.8348","0.0011","24.8348","0.0011","12.1765","0.0005","90","","90","","120","","6503.9","0.5","100","2","100","2","","","","","","","","5","P 6 2 2","P 6 2","177","","","","- C14 H22 Cl2 N2 Pt -","- C14 H22 Cl2 N2 Pt -","- C168 H264 Cl24 N24 Pt12 -","12","1","","Bakhonsky, Vladyslav V.; Pashenko, Aleksander A.; Becker, Jonathan; Hausmann, Heike; De Groot, Huub J. M.; Overkleeft, Herman S.; Fokin, Andrey A.; Schreiner, Peter R.","Synthesis and antiproliferative activity of hindered, chiral 1,2-diaminodiamantane platinum(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14009","14016","10.1039/d0dt02391d","","","0.71073","MoKα","","0.0323","0.0271","","","0.0618","0.0639","","","","","","1.047","","","","has coordinates","258839","2020-11-06","12:15:49",""
"7705305","9.7449","0.0003","8.4127","0.0003","9.7717","0.0003","90","","92.4679","0.0015","90","","800.35","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H28 Cl2 N2 O -","- C15 H28 Cl2 N2 O -","- C30 H56 Cl4 N4 O2 -","2","1","","Bakhonsky, Vladyslav V.; Pashenko, Aleksander A.; Becker, Jonathan; Hausmann, Heike; De Groot, Huub J. M.; Overkleeft, Herman S.; Fokin, Andrey A.; Schreiner, Peter R.","Synthesis and antiproliferative activity of hindered, chiral 1,2-diaminodiamantane platinum(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14009","14016","10.1039/d0dt02391d","","","0.71073","MoKα","","0.0207","0.0189","","","0.0511","0.0516","","","","","","1.078","","","","has coordinates","258839","2020-11-06","12:16:00",""
"7705306","10.3048","0.0002","10.5005","0.0003","20.7712","0.0005","90","","93.033","0.002","90","","2244.41","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Mo(NtBu)2(tBu2DAD)]","1,4-ditertbutyl-1,4-diazabutadienyl-bis(tertbutylimido)molybdenum(VI)","","- C18 H38 Mo N4 -","- C18 H38 Mo N4 -","- C72 H152 Mo4 N16 -","4","1","","Wree, Jan-Lucas; Ciftyurek, Engin; Zanders, David; Boysen, Nils; Kostka, Aleksander; Rogalla, Detlef; Kasischke, Maren; Ostendorf, Andreas; Schierbaum, Klaus; Devi, Anjana","A new metalorganic chemical vapor deposition process for MoS<sub>2</sub> with a 1,4-diazabutadienyl stabilized molybdenum precursor and elemental sulfur.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13462","13474","10.1039/d0dt02471f","","x-ray","1.54184","CuKα","","0.032","0.0307","","","0.0829","0.0838","","","","","","1.079","","","","has coordinates,has disorder","258864","2020-11-06","12:23:08",""
"7705307","14.65544","0.00011","16.40142","0.00013","16.48977","0.00014","90","","94.675","0.0007","90","","3950.46","0.05","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H51 Cl2 N4 O2 P2 Ru -","- C39 H51 Cl2 N4 O2 P2 Ru -","- C156 H204 Cl8 N16 O8 P8 Ru4 -","4","1","","Gallardo-Villagrán, Manuel; Rivada-Wheelaghan, Orestes; Rahaman, S. M. Wahidur; Fayzullin, Robert R.; Khusnutdinova, Julia R.","Proton-responsive naphthyridinone-based Ru<sup>II</sup> complexes and their reactivity with water and alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12756","12766","10.1039/d0dt02505d","","x-ray","0.71073","MoKα","","0.0224","0.0202","","","0.0487","0.0494","","","","","","1.03","","","","has coordinates,has disorder","257548","2020-10-21","18:00:00",""
"7705308","11.71671","0.00013","13.94222","0.00015","25.594","0.0003","90","","94.7465","0.001","90","","4166.62","0.08","99","2","99","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36.73 H66.93 N4 O8.73 P2 Ru -","- C36.732 H66.928 N4 O8.732 P2 Ru -","- C146.928 H267.712 N16 O34.928 P8 Ru4 -","4","1","","Gallardo-Villagrán, Manuel; Rivada-Wheelaghan, Orestes; Rahaman, S. M. Wahidur; Fayzullin, Robert R.; Khusnutdinova, Julia R.","Proton-responsive naphthyridinone-based Ru<sup>II</sup> complexes and their reactivity with water and alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12756","12766","10.1039/d0dt02505d","","x-ray","0.71073","MoKα","","0.0368","0.0322","","","0.0785","0.0803","","","","","","1.096","","","","has coordinates,has disorder","257548","2020-10-21","18:00:00",""
"7705309","23.71159","0.00019","16.43485","0.00011","16.9651","0.00014","90","","98.7499","0.0008","90","","6534.3","0.09","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H86 N8 O4 P4 Ru2 -","- C66 H86 N8 O4 P4 Ru2 -","- C264 H344 N32 O16 P16 Ru8 -","4","0.5","","Gallardo-Villagrán, Manuel; Rivada-Wheelaghan, Orestes; Rahaman, S. M. Wahidur; Fayzullin, Robert R.; Khusnutdinova, Julia R.","Proton-responsive naphthyridinone-based Ru<sup>II</sup> complexes and their reactivity with water and alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12756","12766","10.1039/d0dt02505d","","x-ray","0.71073","MoKα","","0.0264","0.0237","","","0.0639","0.0654","","","","","","1.045","","","","has coordinates","257548","2020-10-21","18:00:00",""
"7705310","11.47028","0.00006","16.11962","0.00008","17.90744","0.00009","80.8486","0.0004","83.2392","0.0004","85.1904","0.0004","3238.98","0.03","94","2","94","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 N4 O6 P2 Ru -","- C30 H48 N4 O6 P2 Ru -","- C120 H192 N16 O24 P8 Ru4 -","4","2","","Gallardo-Villagrán, Manuel; Rivada-Wheelaghan, Orestes; Rahaman, S. M. Wahidur; Fayzullin, Robert R.; Khusnutdinova, Julia R.","Proton-responsive naphthyridinone-based Ru<sup>II</sup> complexes and their reactivity with water and alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12756","12766","10.1039/d0dt02505d","","x-ray","0.71073","MoKα","","0.0226","0.0206","","","0.0512","0.0518","","","","","","1.05","","","","has coordinates","257548","2020-10-21","18:00:00",""
"7705311","13.2414","0.0013","22.0413","0.0019","27.359","0.003","90","","90.219","0.004","90","","7984.9","1.4","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H51 N8 O7 Yb -","- C39 H51 N8 O7 Yb -","- C312 H408 N64 O56 Yb8 -","8","1","","Buch, Christian D.; Mitcov, Dmitri; Piligkos, Stergios","Lanthanide cryptate monometallic coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13557","13565","10.1039/d0dt02448a","","","0.71073","MoKα","","0.0438","0.0315","","","0.0578","0.0609","","","","","","1.148","","","","has coordinates,has disorder","258832","2020-11-06","12:12:45",""
"7705312","20.0632","0.0012","12.0672","0.001","42.305","0.004","90","","95.794","0.002","90","","10190","1.4","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C57 H49.5 K4 N6.5 P2 -","- C57 H49.5 K4 N6.5 P2 -","- C456 H396 K32 N52 P16 -","8","2","","Tretiakov, Serhii; Damen, Johannes A. M.; Lutz, Martin; Moret, Marc-Etienne","A dianionic C<sub>3</sub>-symmetric scorpionate: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13549","13556","10.1039/d0dt02601h","","","0.71073","MoKα","","0.0342","0.0326","","","0.0827","0.0835","","","","","","1.034","","","","has coordinates","258830","2020-11-06","12:12:16",""
"7705313","24.456","0.003","18.0393","0.0016","19.45","0.003","90","","113.125","0.007","90","","7891.3","1.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H39 Fe N6 P -","- C43 H39 Fe N6 P -","- C344 H312 Fe8 N48 P8 -","8","2","","Tretiakov, Serhii; Damen, Johannes A. M.; Lutz, Martin; Moret, Marc-Etienne","A dianionic C<sub>3</sub>-symmetric scorpionate: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13549","13556","10.1039/d0dt02601h","","","0.71073","MoKα","","0.1942","0.0891","","","0.1954","0.2417","","","","","","1.03","","","","has coordinates","258830","2020-11-06","12:12:16",""
"7705314","16.461","0.0006","20.7224","0.0006","26.5518","0.0007","78.716","0.001","75.774","0.001","88.674","0.001","8606.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C384 H352 Cu8 K8 N56 P8 -","- C384 H352 Cu8 K8 N56 P8 -","- C384 H352 Cu8 K8 N56 P8 -","1","0.5","","Tretiakov, Serhii; Damen, Johannes A. M.; Lutz, Martin; Moret, Marc-Etienne","A dianionic C<sub>3</sub>-symmetric scorpionate: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13549","13556","10.1039/d0dt02601h","","","0.71073","MoKα","","0.0964","0.0587","","","0.1538","0.1749","","","","","","1.019","","","","has coordinates,has disorder","258830","2020-11-06","12:12:16",""
"7705315","24.314","0.003","17.888","0.002","19.297","0.002","90","","113.027","0.003","90","","7724.1","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44.8 H43.2 N6 Ni P -","- C44.8 H43.2 N6 Ni P -","- C358.4 H345.6 N48 Ni8 P8 -","8","2","","Tretiakov, Serhii; Damen, Johannes A. M.; Lutz, Martin; Moret, Marc-Etienne","A dianionic C<sub>3</sub>-symmetric scorpionate: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13549","13556","10.1039/d0dt02601h","","","0.71073","MoKα","","0.1954","0.0877","","","0.1806","0.232","","","","","","1.034","","","","has coordinates","258830","2020-11-06","12:12:16",""
"7705316","17.8742","0.0012","18.1808","0.0012","19.8655","0.0013","109.771","0.003","108.424","0.002","95.566","0.001","5611.4","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C119.5 H140 Fe K2 N7 O20.5 P2 -","- C119.5 H140 Fe K2 N7 O20.5 P2 -","- C239 H280 Fe2 K4 N14 O41 P4 -","2","1","","Tretiakov, Serhii; Damen, Johannes A. M.; Lutz, Martin; Moret, Marc-Etienne","A dianionic C<sub>3</sub>-symmetric scorpionate: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13549","13556","10.1039/d0dt02601h","","","0.71073","MoKα","","0.1356","0.0641","","","0.1423","0.1715","","","","","","1.017","","","","has coordinates,has disorder","258830","2020-11-06","12:12:16",""
"7705317","24.8978","0.0005","13.9828","0.0003","33.8978","0.0007","90","","110.867","0.001","90","","11027.2","0.4","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C53 H72 Cu K N5 O9 P2 -","- C53 H72 Cu K N5 O9 P2 -","- C424 H576 Cu8 K8 N40 O72 P16 -","8","1","","Tretiakov, Serhii; Damen, Johannes A. M.; Lutz, Martin; Moret, Marc-Etienne","A dianionic C<sub>3</sub>-symmetric scorpionate: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13549","13556","10.1039/d0dt02601h","","","0.71073","MoKα","","0.0658","0.044","","","0.1222","0.1358","","","","","","1.034","","","","has coordinates,has disorder","258830","2020-11-06","12:12:16",""
"7705318","9.0809","0.0007","9.9667","0.0009","14.8247","0.0013","89.447","0.002","89.918","0.002","87.141","0.002","1340","0.2","152","2","152","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H42 Si5 -","- C19 H42 Si5 -","- C38 H84 Si10 -","2","1","","Leszczyńska, Kinga I; Deglmann, Peter; Präsang, Carsten; Huch, Volker; Zimmer, Michael; Schweinfurth, David; Scheschkewitz, David","Pentamethylcyclopentadienyl-substituted hypersilylsilylene: reversible and irreversible activation of C[double bond, length as m-dash]C double bonds and dihydrogen.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13218","13225","10.1039/d0dt02943b","","","0.71073","MoKα","","0.0586","0.0497","","","0.129","0.1327","","","","","","1.078","","","","has coordinates","258861","2020-11-06","12:22:32",""
"7705319","9.545","0.0004","14.1726","0.0006","10.4229","0.0004","90","","103.274","0.002","90","","1372.31","0.1","142","2","142","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C21 H46 Si5 -","- C21 H46 Si5 -","- C42 H92 Si10 -","2","0.5","","Leszczyńska, Kinga I; Deglmann, Peter; Präsang, Carsten; Huch, Volker; Zimmer, Michael; Schweinfurth, David; Scheschkewitz, David","Pentamethylcyclopentadienyl-substituted hypersilylsilylene: reversible and irreversible activation of C[double bond, length as m-dash]C double bonds and dihydrogen.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13218","13225","10.1039/d0dt02943b","","","0.71073","MoKα","","0.0349","0.0269","","","0.0744","0.079","","","","","","1.052","","","","has coordinates","258861","2020-11-06","12:22:32",""
"7705320","40.367","0.013","9.976","0.003","16.657","0.005","90","","99.403","0.019","90","","6618","4","142","2","142","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H54 N2 Si5 -","- C26 H54 N2 Si5 -","- C208 H432 N16 Si40 -","8","1","","Leszczyńska, Kinga I; Deglmann, Peter; Präsang, Carsten; Huch, Volker; Zimmer, Michael; Schweinfurth, David; Scheschkewitz, David","Pentamethylcyclopentadienyl-substituted hypersilylsilylene: reversible and irreversible activation of C[double bond, length as m-dash]C double bonds and dihydrogen.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13218","13225","10.1039/d0dt02943b","","","0.71073","MoKα","","0.0505","0.0329","","","0.0829","0.092","","","","","","1.018","","","","has coordinates","258861","2020-11-06","12:22:32",""
"7705321","10.7576","0.0004","34.3258","0.0013","11.0315","0.0004","90","","111.67","0.001","90","","3785.6","0.2","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H62 N2 Si6 -","- C29 H62 N2 Si6 -","- C116 H248 N8 Si24 -","4","1","","Leszczyńska, Kinga I; Deglmann, Peter; Präsang, Carsten; Huch, Volker; Zimmer, Michael; Schweinfurth, David; Scheschkewitz, David","Pentamethylcyclopentadienyl-substituted hypersilylsilylene: reversible and irreversible activation of C[double bond, length as m-dash]C double bonds and dihydrogen.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13218","13225","10.1039/d0dt02943b","","","0.71073","MoKα","","0.0864","0.0736","","","0.1595","0.1648","","","","","","1.183","","","","has coordinates,has disorder","258861","2020-11-06","12:22:32",""
"7705322","11.3826","0.0003","21.696","0.0009","7.4517","0.0003","90","","90.222","0.001","90","","1840.23","0.12","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H6 Fe2 N2 O13 -","- C14 H11 Fe2 N2 O13 -","- C56 H44 Fe8 N8 O52 -","4","0.5","","Adhikary, Amit; Das, Krishna Sundar; Saha, Sayan; Roy, Manasi; Mondal, Raju","A free-standing, self-healing multi-stimuli responsive gel showing cryogenic magnetic cooling.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13487","13495","10.1039/d0dt02356f","","","0.71073","MoKα","","0.0207","0.0203","","","0.0571","0.0573","","","","","","1.015","","","","has coordinates","258859","2020-11-06","12:21:53",""
"7705323","12.498","0.003","13.003","0.003","14.074","0.003","103.95","0.03","112.74","0.03","100.61","0.03","1946.5","1.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Cl7 Mn0.5 N4 O6 -","- C32 H34 Cl7 Mn0.5 N4 O6 -","- C64 H68 Cl14 Mn N8 O12 -","2","1","","Lippi, Martina; Caputo, Josefina; Meneghetti, Fiorella; Castellano, Carlo; Martí-Rujas, Javier; Cametti, Massimo","Tuneable solvent adsorption and exchange by 1D bispidine-based Mn(II) coordination polymers <i>via</i> ligand design.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13420","13429","10.1039/d0dt02734k","","","0.71073","MoKα","","0.0995","0.0636","","","0.1652","0.181","","","","","","1.097","","","","has coordinates","258872","2020-11-06","12:24:59",""
"7705324","9.967","0.002","12.819","0.003","13.148","0.003","77.75","0.03","85.95","0.03","69.83","0.03","1541","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H62 Cl8 Mn N8 O10 -","- C52 H62 Cl8 Mn N8 O10 -","- C52 H62 Cl8 Mn N8 O10 -","1","0.5","","Lippi, Martina; Caputo, Josefina; Meneghetti, Fiorella; Castellano, Carlo; Martí-Rujas, Javier; Cametti, Massimo","Tuneable solvent adsorption and exchange by 1D bispidine-based Mn(II) coordination polymers <i>via</i> ligand design.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13420","13429","10.1039/d0dt02734k","","","0.71073","MoKα","","0.0809","0.0591","","","0.1608","0.1765","","","","","","1.072","","","","has coordinates,has disorder","258872","2020-11-06","12:25:00",""
"7705325","12.5124","0.0001","13.0339","0.0001","13.9531","0.0001","102.785","0.001","111.77","0.001","102.82","0.001","1941.32","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H76 Cl8 Mn N10 O16 -","- C74 H76 Cl8 Mn N10 O16 -","- C74 H76 Cl8 Mn N10 O16 -","1","0.5","","Lippi, Martina; Caputo, Josefina; Meneghetti, Fiorella; Castellano, Carlo; Martí-Rujas, Javier; Cametti, Massimo","Tuneable solvent adsorption and exchange by 1D bispidine-based Mn(II) coordination polymers <i>via</i> ligand design.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13420","13429","10.1039/d0dt02734k","","","0.82656","Synchrotron","","0.0799","0.079","","","0.2092","0.2101","","","","","","1.078","","","","has coordinates","258872","2020-11-06","12:25:00",""
"7705326","12.34","0.03","22.76","0.07","11.13","0.02","90","","106.49","0.14","90","","2997","13","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H74 Cl2 Mn N10 O14 -","- C72 H74 Cl2 Mn N10 O14 -","- C144 H148 Cl4 Mn2 N20 O28 -","2","0.5","","Lippi, Martina; Caputo, Josefina; Meneghetti, Fiorella; Castellano, Carlo; Martí-Rujas, Javier; Cametti, Massimo","Tuneable solvent adsorption and exchange by 1D bispidine-based Mn(II) coordination polymers <i>via</i> ligand design.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13420","13429","10.1039/d0dt02734k","","","1.54178","CuKα","","0.0931","0.0778","","","0.2327","0.2482","","","","","","1.042","","","","has coordinates","258872","2020-11-06","12:25:00",""
"7705327","9.715","0.005","12.84","0.005","13.069","0.005","77.6","0.005","85.9","0.005","69.6","0.005","1492.3","1.1","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C52 H62 Cl8 Mn N8 O10 -","- C52 H62 Cl8 Mn N8 O10 -","- C52 H62 Cl8 Mn N8 O10 -","1","1","","Lippi, Martina; Caputo, Josefina; Meneghetti, Fiorella; Castellano, Carlo; Martí-Rujas, Javier; Cametti, Massimo","Tuneable solvent adsorption and exchange by 1D bispidine-based Mn(II) coordination polymers <i>via</i> ligand design.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13420","13429","10.1039/d0dt02734k","","","0.71073","MoKα","","0.0567","0.0507","","","0.1206","0.1278","","","","","","1.045","","","","has coordinates","258872","2020-11-06","12:25:00",""
"7705328","5.6217","0.0002","6.9511","0.0002","13.1285","0.0004","102.124","0.001","92.883","0.001","94.665","0.001","498.72","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","Tetrameric Silverphosphonate","","","- C4 H10 Ag2 N O7 P2 -","- C4 H10 Ag2 N O7 P2 -","- C8 H20 Ag4 N2 O14 P4 -","2","1","","Rom, Tanmay; Paul, Avijit Kumar","Role of aromatic <i>vs.</i> aliphatic amine for the variation of structural, electrical and catalytic behaviors in a series of silver phosphonate extended hybrid solids.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13618","13634","10.1039/d0dt02796k","","","0.71073","MoKα","","0.0289","0.0246","","","0.077","0.0941","","","","","","1.286","","","","has coordinates","258831","2020-11-06","12:12:26",""
"7705329","5.7341","0.0003","13.4208","0.0008","13.6754","0.0008","80.861","0.001","87.591","0.002","78.768","0.002","1019.08","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","Pentameric Silverphosphonate","","","- C6 H16 Ag5 N O16 P4 -","- C6 H15 Ag5 N O16 P4 -","- C12 H30 Ag10 N2 O32 P8 -","2","1","","Rom, Tanmay; Paul, Avijit Kumar","Role of aromatic <i>vs.</i> aliphatic amine for the variation of structural, electrical and catalytic behaviors in a series of silver phosphonate extended hybrid solids.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13618","13634","10.1039/d0dt02796k","","","0.71073","MoKα","","0.0495","0.0343","","","0.1015","0.1305","","","","","","1.21","","","","has coordinates","258831","2020-11-06","12:12:35",""
"7705330","13.7091","0.0004","18.1676","0.0005","7.1474","0.0002","90","","93.851","0.001","90","","1776.12","0.09","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","Dimeric Silverphosphonate","","","- C12 H16 Ag2 N2 O9 P2 -","- C12 H16 Ag2 N2 O9 P2 -","- C48 H64 Ag8 N8 O36 P8 -","4","1","","Rom, Tanmay; Paul, Avijit Kumar","Role of aromatic <i>vs.</i> aliphatic amine for the variation of structural, electrical and catalytic behaviors in a series of silver phosphonate extended hybrid solids.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13618","13634","10.1039/d0dt02796k","","","0.71073","MoKα","","0.0529","0.0335","","","0.0804","0.1161","","","","","","1.177","","","","has coordinates","258831","2020-11-06","12:12:35",""
"7705331","5.4579","0.0005","10.4871","0.0009","13.0653","0.0012","90","","92.13","0.003","90","","747.31","0.12","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","1D Silver diphosphonate","","","- C11 H10 Ag N2 O8 P2 -","- C11 H10 Ag N2 O8 P2 -","- C22 H20 Ag2 N4 O16 P4 -","2","0.5","","Rom, Tanmay; Paul, Avijit Kumar","Role of aromatic <i>vs.</i> aliphatic amine for the variation of structural, electrical and catalytic behaviors in a series of silver phosphonate extended hybrid solids.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13618","13634","10.1039/d0dt02796k","","","0.71073","MoKα","","0.0532","0.0501","","","0.126","0.1319","","","","","","1.348","","","","has coordinates","258831","2020-11-06","12:12:35",""
"7705332","15.3334","0.0004","11.384","0.0003","27.2807","0.0006","90","","90","","90","","4762","0.2","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","IB-305","","- C22 H21 N3 O2 P2 S4 -","- C22 H21 N3 O2 P2 S4 -","- C176 H168 N24 O16 P16 S32 -","8","2","","Begum, Imtiaz; Kalisch, Tim; Schnakenburg, Gregor; Kelemen, Zsolt; Nyulászi, László; Streubel, Rainer","[4 + 2]-Cycloadditions of a thiazol-based tricyclic 1,4-diphosphinine and a new easy 1,4-diphosphinine protection deprotection strategy.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12776","12779","10.1039/d0dt02529a","","","1.54178","CuKα","","0.1461","0.0954","","","0.2203","0.2659","","","","","","1.022","","","","has coordinates","257546","2020-10-21","18:00:00",""
"7705333","10.1125","0.0006","10.126","0.0006","11.907","0.0007","77.826","0.003","75.301","0.003","89.011","0.003","1151.99","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","IB-282","","- C18 H20 N2 O4 P2 S4 -","- C18 H20 N2 O4 P2 S4 -","- C36 H40 N4 O8 P4 S8 -","2","1","","Begum, Imtiaz; Kalisch, Tim; Schnakenburg, Gregor; Kelemen, Zsolt; Nyulászi, László; Streubel, Rainer","[4 + 2]-Cycloadditions of a thiazol-based tricyclic 1,4-diphosphinine and a new easy 1,4-diphosphinine protection deprotection strategy.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12776","12779","10.1039/d0dt02529a","","","0.71073","MoKα","","0.071","0.0515","","","0.1003","0.1105","","","","","","1.061","","","","has coordinates","257546","2020-10-21","18:00:00",""
"7705334","13.4913","0.0001","14.3806","0.0001","17.9191","0.0001","90","","106.452","0.001","90","","3334.2","0.04","149.99","0.1","149.99","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C20 H26 Ag Au B2 F8 N8 -","- C20 H26 Ag Au B2 F8 N8 -","- C80 H104 Ag4 Au4 B8 F32 N32 -","4","0.5","","Li, Zili; Mackie, Emily R. R.; Ramkissoon, Pria; Mather, Joel C.; Wiratpruk, Nuchareenat; Soares da Costa, Tatiana P.; Barnard, Peter J.","Synthesis, conformational analysis and antibacterial activity of Au(I)-Ag(I) and Au(I)-Hg(II) heterobimetallic N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12820","12834","10.1039/d0dt02225j","","","1.54184","CuKα","","0.022","0.0217","","","0.0593","0.0595","","","","","","1.084","","","","has coordinates,has disorder","257549","2020-10-21","18:00:00",""
"7705335","6.8428","0.0006","11.523","0.0005","17.2878","0.0015","90","","124.136","0.012","90","","1128.3","0.2","133","0.4","133","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 I N4 -","- C9 H13 I N4 -","- C36 H52 I4 N16 -","4","1","","Li, Zili; Mackie, Emily R. R.; Ramkissoon, Pria; Mather, Joel C.; Wiratpruk, Nuchareenat; Soares da Costa, Tatiana P.; Barnard, Peter J.","Synthesis, conformational analysis and antibacterial activity of Au(I)-Ag(I) and Au(I)-Hg(II) heterobimetallic N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12820","12834","10.1039/d0dt02225j","","x-ray","1.54184","CuKα","","0.0324","0.0296","","","0.0799","0.0842","","","","","","1.03","","","","has coordinates","298703","2025-04-03","05:34:23",""
"7705336","8.7261","0.0001","9.4766","0.0001","9.6253","0.0001","82.356","0.001","67.847","0.001","85.319","0.001","730.215","0.015","150","2","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H32 Ag2 B2 F8 N8 -","- C22 H32 Ag2 B2 F8 N8 -","- C22 H32 Ag2 B2 F8 N8 -","1","0.5","","Li, Zili; Mackie, Emily R. R.; Ramkissoon, Pria; Mather, Joel C.; Wiratpruk, Nuchareenat; Soares da Costa, Tatiana P.; Barnard, Peter J.","Synthesis, conformational analysis and antibacterial activity of Au(I)-Ag(I) and Au(I)-Hg(II) heterobimetallic N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12820","12834","10.1039/d0dt02225j","","","1.54184","CuKα","","0.0266","0.0266","","","0.0702","0.0702","","","","","","1.114","","","","has coordinates","257549","2020-10-21","18:00:00",""
"7705337","10.7465","0.0002","11.4653","0.0002","12.0732","0.0002","65.809","0.002","85.874","0.002","80.854","0.002","1339.64","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H29 Au Br2 N8 -","- C20 H29 Au Br2 N8 -","- C40 H58 Au2 Br4 N16 -","2","1","","Li, Zili; Mackie, Emily R. R.; Ramkissoon, Pria; Mather, Joel C.; Wiratpruk, Nuchareenat; Soares da Costa, Tatiana P.; Barnard, Peter J.","Synthesis, conformational analysis and antibacterial activity of Au(I)-Ag(I) and Au(I)-Hg(II) heterobimetallic N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12820","12834","10.1039/d0dt02225j","","","1.54184","CuKα","","0.035","0.0347","","","0.093","0.0932","","","","","","1.04","","","","has coordinates","257549","2020-10-21","18:00:00",""
"7705338","10.4121","0.0005","11.953","0.0005","12.0119","0.0005","109.897","0.004","111.317","0.004","100.11","0.004","1230.75","0.12","100","11","100","11","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Au N3 O P -","- C30 H23 Au N3 O P -","- C60 H46 Au2 N6 O2 P2 -","2","1","","Petrovskii, Stanislav K.; Paderina, Aleksandra V.; Sizova, Anastasia A.; Baranov, Andrey Yu; Artem'ev, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.","Luminescence behaviour of Au(I)-Cu(I) heterobimetallic coordination polymers based on alkynyl-tris(2-pyridyl)phosphine Au(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13430","13439","10.1039/d0dt02583f","","","0.71073","MoKα","","0.0341","0.03","","","0.0596","0.062","","","","","","1.051","","","","has coordinates","258865","2020-11-06","12:23:17",""
"7705339","8.5575","0.0003","10.8642","0.0005","21.2885","0.0008","90","","91.365","0.004","90","","1978.64","0.14","100","11","100","11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Au N3 P -","- C23 H17 Au N3 P -","- C92 H68 Au4 N12 P4 -","4","1","","Petrovskii, Stanislav K.; Paderina, Aleksandra V.; Sizova, Anastasia A.; Baranov, Andrey Yu; Artem'ev, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.","Luminescence behaviour of Au(I)-Cu(I) heterobimetallic coordination polymers based on alkynyl-tris(2-pyridyl)phosphine Au(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13430","13439","10.1039/d0dt02583f","","","0.71073","MoKα","","0.0552","0.0398","","","0.069","0.0767","","","","","","1.018","","","","has coordinates","258865","2020-11-06","12:23:18",""
"7705340","15.214","0.0002","15.214","0.0002","19.3663","0.0002","90","","90","","120","","3882.08","0.08","100","0.11","100","0.11","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C144 H111 Au6 B6 Cu6 F24 N21 P6 -","- C144 H111 Au6 B6 Cu6 F24 N21 P6 -","- C144 H111 Au6 B6 Cu6 F24 N21 P6 -","1","0.166667","","Petrovskii, Stanislav K.; Paderina, Aleksandra V.; Sizova, Anastasia A.; Baranov, Andrey Yu; Artem'ev, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.","Luminescence behaviour of Au(I)-Cu(I) heterobimetallic coordination polymers based on alkynyl-tris(2-pyridyl)phosphine Au(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13430","13439","10.1039/d0dt02583f","","x-ray","1.54184","CuKα","","0.0349","0.034","","","0.0902","0.0922","","","","","","1.135","","","","has coordinates,has disorder","258865","2020-11-06","12:23:18",""
"7705341","9.96","0.005","10.21","0.005","12.06","0.005","102.901","0.005","100.793","0.005","113.618","0.005","1041.4","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18.5 H18.5 Cu N1.5 O5.5 S2 -","- C18.5 H18.5 Cu N1.5 O5.5 S2 -","- C37 H37 Cu2 N3 O11 S4 -","2","1","","Jarrah, Najmeh; Troyano, Javier; Carné-Sánchez, Arnau; Imaz, Inhar; Tangestaninejad, Shahram; Moghadam, Majid; Maspoch, Daniel","Dynamic porous coordination polymers built-up from flexible 4,4'-dithiodibenzoate and rigid N-based ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13142","13151","10.1039/d0dt02411b","","","0.82653","synchrotron","","0.0753","0.071","","","0.2098","0.2146","","","","","","1.055","","","","has coordinates,has disorder","257502","2020-10-21","18:00:00",""
"7705342","10.39","0.006","21.68","0.006","21.91","0.006","115.86","0.05","103.91","0.05","93.65","0.05","4230","4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H28.33 Cu2 N2.33 O8.33 S4 -","- C39 H28.3333 Cu2 N2.33333 O8.33333 S4 -","- C117 H85 Cu6 N7 O25 S12 -","3","1.5","","Jarrah, Najmeh; Troyano, Javier; Carné-Sánchez, Arnau; Imaz, Inhar; Tangestaninejad, Shahram; Moghadam, Majid; Maspoch, Daniel","Dynamic porous coordination polymers built-up from flexible 4,4'-dithiodibenzoate and rigid N-based ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13142","13151","10.1039/d0dt02411b","","","0.82643","synchrotron","","0.163","0.0974","","","0.267","0.3117","","","","","","0.941","","","","has coordinates","257502","2020-10-21","18:00:00",""
"7705343","24.3747","0.0007","13.9313","0.0003","18.9465","0.0007","90","","111.435","0.004","90","","5988.7","0.3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 Cu N2 O5 S2 -","- C22 H19 Cu N2 O5 S2 -","- C176 H152 Cu8 N16 O40 S16 -","8","1","","Jarrah, Najmeh; Troyano, Javier; Carné-Sánchez, Arnau; Imaz, Inhar; Tangestaninejad, Shahram; Moghadam, Majid; Maspoch, Daniel","Dynamic porous coordination polymers built-up from flexible 4,4'-dithiodibenzoate and rigid N-based ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13142","13151","10.1039/d0dt02411b","","x-ray","0.71073","MoKα","","0.0747","0.0618","","","0.1754","0.1834","","","","","","1.049","","","","has coordinates","257502","2020-10-21","18:00:00",""
"7705344","8.9361","0.0004","24.696","0.0015","10.4597","0.0004","90","","110.946","0.004","90","","2155.77","0.19","180","","180","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C34 H24 Cu2 N6 O10 S2 -","- C34 H24 Cu2 N6 O10 S2 -","- C68 H48 Cu4 N12 O20 S4 -","2","0.5","","Jarrah, Najmeh; Troyano, Javier; Carné-Sánchez, Arnau; Imaz, Inhar; Tangestaninejad, Shahram; Moghadam, Majid; Maspoch, Daniel","Dynamic porous coordination polymers built-up from flexible 4,4'-dithiodibenzoate and rigid N-based ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13142","13151","10.1039/d0dt02411b","","x-ray","0.71073","MoKα","","0.1039","0.088","","","0.2652","0.2797","","","","","","1.068","","","","has coordinates,has disorder","257502","2020-10-21","18:00:00",""
"7705345","11.8572","0.0003","13.8306","0.0003","14.3293","0.0003","74.4373","0.0018","89.4963","0.0017","80.0332","0.0019","2227.82","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H51 O20 Ru4 -","- C36 H51 O20 Ru4 -","- C72 H102 O40 Ru8 -","2","1","","Bera, Sudip Kumar; Lahiri, Goutam Kumar","Unprecedented metal-metal bonded {Ru<sub>4</sub>(μ<sub>3</sub>-O)<sub>2</sub>} butterfly core in oxido-carboxylato bridged mixed valence cluster-structural elucidation and electronic forms in accessible redox states.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13573","13581","10.1039/d0dt02741c","","x-ray","0.71073","MoKα","","0.0582","0.0438","","","0.091","0.099","","","","","","1.049","","","","has coordinates","258828","2020-11-06","12:11:40",""
"7705346","6.2746","0.0004","7.5373","0.0005","13.4783","0.0008","90.519","0.001","100.645","0.001","113.523","0.001","571.98","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- B8 Gd Na3 O15 -","- B8 Gd Na3 O15 -","- B16 Gd2 Na6 O30 -","2","1","","Zhao, Dan; Li, Ya-Nan; Fan, Yan-Ping; Liu, Bao-Zhong; Zhang, Shi-Rui; Zhang, Rui-Juan","Crystal structure, theoretical studies and luminescent properties of a new borate Na<sub>3</sub>GdB<sub>8</sub>O<sub>15</sub> with one-dimensional broad-banded anionic framework.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13167","13175","10.1039/d0dt02586k","","","0.71073","MoKα","","0.021","0.019","","","0.0423","0.0431","","","","","","1.061","","","","has coordinates","257510","2020-10-21","18:00:00",""
"7705347","12.064","0.015","6.135","0.007","12.744","0.016","90","","114.742","0.012","90","","856.6","1.8","273","","273","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H17 As O -","- C21 H17 As O -","- C42 H34 As2 O2 -","2","1","","Ishijima, Kosuke; Tanaka, Susumu; Imoto, Hiroaki; Naka, Kensuke","2-Arylbenzo[<i>b</i>]arsoles: an experimental and computational study on the relationship between structural and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15612","15621","10.1039/d0dt02669g","","","0.71075","MoKα","","0.0385","0.0314","","","0.0647","0.068","","","","","","1.015","","","","has coordinates","260730","2021-01-07","06:10:55",""
"7705348","15.323","0.004","6.0864","0.0014","18.537","0.005","90","","102.156","0.014","90","","1690","0.7","273","","273","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 As O -","- C21 H17 As O -","- C84 H68 As4 O4 -","4","1","","Ishijima, Kosuke; Tanaka, Susumu; Imoto, Hiroaki; Naka, Kensuke","2-Arylbenzo[<i>b</i>]arsoles: an experimental and computational study on the relationship between structural and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15612","15621","10.1039/d0dt02669g","","","0.71075","MoKα","","0.0706","0.0398","","","0.0842","0.0999","","","","","","1.064","","","","has coordinates","260730","2021-01-07","06:10:55",""
"7705349","10.302","0.003","6.1145","0.0014","14.508","0.003","90","","105.269","0.011","90","","881.6","0.4","273","","273","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 As N -","- C22 H20 As N -","- C44 H40 As2 N2 -","2","1","","Ishijima, Kosuke; Tanaka, Susumu; Imoto, Hiroaki; Naka, Kensuke","2-Arylbenzo[<i>b</i>]arsoles: an experimental and computational study on the relationship between structural and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15612","15621","10.1039/d0dt02669g","","","0.71075","MoKα","","0.0403","0.0298","","","0.0551","0.0592","","","","","","0.973","","","","has coordinates","260730","2021-01-07","06:10:55",""
"7705350","10.0436","0.0008","17.2646","0.0014","17.3187","0.0014","90","","105.201","0.004","90","","2898","0.4","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 Cu N5 O5 -","- C27 H29 Cu N5 O5 -","- C108 H116 Cu4 N20 O20 -","4","1","","Menzel, Saskia; Millan, Simon; Höfert, Simon-Patrick; Nuhnen, Alexander; Gökpinar, Serkan; Schmitz, Alexa; Janiak, Christoph","Increase of network hydrophilicity from sql to lvt supramolecular isomers of Cu-MOFs with the bifunctional 4-(3,5-dimethyl-1<i>H</i>-pyrazol-4-yl)benzoate linker.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12854","12864","10.1039/d0dt02642e","","","0.71073","MoKα","","0.1003","0.0909","","","0.2338","0.238","","","","","","1.181","","","","has coordinates","257540","2020-10-21","18:00:00",""
"7705351","23.2432","0.0012","23.2432","0.0012","11.913","0.0007","90","","90","","90","","6436","0.6","140","2","140","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H39.94 Cu N4 O12.96 -","- C24 H39.936 Cu N4 O12.968 -","- C192 H319.488 Cu8 N32 O103.744 -","8","0.5","","Menzel, Saskia; Millan, Simon; Höfert, Simon-Patrick; Nuhnen, Alexander; Gökpinar, Serkan; Schmitz, Alexa; Janiak, Christoph","Increase of network hydrophilicity from sql to lvt supramolecular isomers of Cu-MOFs with the bifunctional 4-(3,5-dimethyl-1<i>H</i>-pyrazol-4-yl)benzoate linker.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12854","12864","10.1039/d0dt02642e","","","0.71073","MoKα","","0.042","0.0395","","","0.1088","0.1103","","","","","","1.138","","","","has coordinates,has disorder","257540","2020-10-21","18:00:00",""
"7705352","9.7946","0.001","19.5794","0.0017","14.8975","0.0014","90","","103.587","0.005","90","","2777","0.5","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cu N6 O4 -","- C28 H28 Cu N6 O4 -","- C112 H112 Cu4 N24 O16 -","4","1","","Menzel, Saskia; Millan, Simon; Höfert, Simon-Patrick; Nuhnen, Alexander; Gökpinar, Serkan; Schmitz, Alexa; Janiak, Christoph","Increase of network hydrophilicity from sql to lvt supramolecular isomers of Cu-MOFs with the bifunctional 4-(3,5-dimethyl-1<i>H</i>-pyrazol-4-yl)benzoate linker.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12854","12864","10.1039/d0dt02642e","","","0.71073","MoKα","","0.0485","0.0358","","","0.1022","0.1113","","","","","","1.034","","","","has coordinates","257540","2020-10-21","18:00:00",""
"7705353","12.5644","0.001","16.294","0.0013","20.5464","0.0014","105.056","0.003","90.827","0.004","97.901","0.004","4017.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H59 Cl Ga N2 Sb -","- C41 H59 Cl Ga N2 Sb -","- C164 H236 Cl4 Ga4 N8 Sb4 -","4","2","","Helling, Christoph; Wölper, Christoph; Schulz, Stephan","Synthesis of heteroleptic gallium-substituted antimony hydrides by stepwise β-H elimination.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11835","11842","10.1039/d0dt01937b","","","0.71073","MoKα","","0.0497","0.0349","","","0.075","0.0821","","","","","","1.021","","","","has coordinates","255905","2020-10-21","18:00:00",""
"7705354","19.112","0.003","13.617","0.002","21.17","0.004","90","","99.737","0.003","90","","5430.1","1.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C55 H78 B Cl Ga N4 O Sb -","- C55 H78 B Cl Ga N4 O Sb -","- C220 H312 B4 Cl4 Ga4 N16 O4 Sb4 -","4","1","","Helling, Christoph; Wölper, Christoph; Schulz, Stephan","Synthesis of heteroleptic gallium-substituted antimony hydrides by stepwise β-H elimination.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11835","11842","10.1039/d0dt01937b","","","0.71073","MoKα","","0.0639","0.0367","","","0.069","0.0782","","","","","","1.053","","","","has coordinates","255905","2020-10-21","18:00:00",""
"7705355","9.861","0.003","19.979","0.006","20.39","0.006","90","","103.101","0.014","90","","3913","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H60 Cl Ga N3 Sb Si2 -","- C35 H60 Cl Ga N3 Sb Si2 -","- C140 H240 Cl4 Ga4 N12 Sb4 Si8 -","4","1","","Helling, Christoph; Wölper, Christoph; Schulz, Stephan","Synthesis of heteroleptic gallium-substituted antimony hydrides by stepwise β-H elimination.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11835","11842","10.1039/d0dt01937b","","","0.71073","MoKα","","0.0555","0.0292","","","0.0685","0.0825","","","","","","1.026","","","","has coordinates,has disorder","255905","2020-10-21","18:00:00",""
"7705356","10.996","0.005","12.777","0.005","13.167","0.005","80.538","0.005","72.079","0.005","71.39","0.005","1663.6","1.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H33 Cl Co N3 P2 -","- C40 H33 Cl Co N3 P2 -","- C80 H66 Cl2 Co2 N6 P4 -","2","1","","Jheng, Nai-Yuan; Ishizaka, Yusuke; Naganawa, Yuki; Sekiguchi, Akira; Nakajima, Yumiko","Co(I) complexes with a tetradentate phenanthroline-based PNNP ligand as a potent new metal-ligand cooperation platform.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14592","14597","10.1039/d0dt02549f","","","0.71069","MoKα","","0.1191","0.0954","","","0.2659","0.2808","","","","","","1.142","","","","has coordinates","258800","2020-11-06","12:00:21",""
"7705357","9.6072","0.0016","17.588","0.003","17.717","0.003","90","","101.736","0.003","90","","2931.1","0.9","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H29 Co N2 P2 -","- C38 H29 Co N2 P2 -","- C152 H116 Co4 N8 P8 -","4","1","","Jheng, Nai-Yuan; Ishizaka, Yusuke; Naganawa, Yuki; Sekiguchi, Akira; Nakajima, Yumiko","Co(I) complexes with a tetradentate phenanthroline-based PNNP ligand as a potent new metal-ligand cooperation platform.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14592","14597","10.1039/d0dt02549f","","","0.71075","MoKα","","0.0323","0.0279","","","0.0709","0.0731","","","","","","1.073","","","","has coordinates","258800","2020-11-06","12:00:21",""
"7705358","9.1277","0.0013","12.3182","0.0018","26.862","0.004","90","","90","","90","","3020.3","0.8","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H31 Co N2 P2 -","- C38 H31 Co N2 P2 -","- C152 H124 Co4 N8 P8 -","4","1","","Jheng, Nai-Yuan; Ishizaka, Yusuke; Naganawa, Yuki; Sekiguchi, Akira; Nakajima, Yumiko","Co(I) complexes with a tetradentate phenanthroline-based PNNP ligand as a potent new metal-ligand cooperation platform.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14592","14597","10.1039/d0dt02549f","","","0.71075","MoKα","","0.0734","0.0488","","","0.1203","0.1373","","","","","","0.843","","","","has coordinates","258800","2020-11-06","12:00:21",""
"7705359","15.4631","0.0012","12.4153","0.0011","18.898","0.0012","90","","103.596","0.008","90","","3526.4","0.5","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H39 Co N2 P2 Si -","- C42 H39 Co N2 P2 Si -","- C168 H156 Co4 N8 P8 Si4 -","4","1","","Jheng, Nai-Yuan; Ishizaka, Yusuke; Naganawa, Yuki; Sekiguchi, Akira; Nakajima, Yumiko","Co(I) complexes with a tetradentate phenanthroline-based PNNP ligand as a potent new metal-ligand cooperation platform.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14592","14597","10.1039/d0dt02549f","","","0.71073","MoKα","","0.1227","0.0577","","","0.117","0.1564","","","","","","1.024","","","","has coordinates","258800","2020-11-06","12:00:21",""
"7705360","21.982","0.002","14.2942","0.0008","22.987","0.002","90","","114.71","0.007","90","","6561.5","1","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H100 Cl2 N4 O2 Si2 Ti2 -","- C64 H100 Cl2 N4 O2 Si2 Ti2 -","- C256 H400 Cl8 N16 O8 Si8 Ti8 -","4","0.5","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Pikies, Jerzy; Ponikiewski, Łukasz","Synthesis of compounds with C-P-P and C[double bond, length as m-dash]P-P bond systems based on the phospha-Wittig reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13635","13646","10.1039/d0dt02728f","","x-ray","0.71073","MoKα","","0.1612","0.0753","","","0.1655","0.1988","","","","","","1.027","","","","has coordinates","258837","2020-11-06","12:14:29",""
"7705361","9.9454","0.0004","10.32","0.0005","27.9616","0.001","100.356","0.003","91.107","0.003","95.68","0.003","2807.2","0.2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H95 Cl N2 O2 P2 Si Ti -","- C55 H95 Cl N2 O2 P2 Si Ti -","- C110 H190 Cl2 N4 O4 P4 Si2 Ti2 -","2","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Pikies, Jerzy; Ponikiewski, Łukasz","Synthesis of compounds with C-P-P and C[double bond, length as m-dash]P-P bond systems based on the phospha-Wittig reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13635","13646","10.1039/d0dt02728f","","x-ray","0.71073","MoKα","","0.1363","0.0963","","","0.2533","0.2881","","","","","","1.043","","","","has coordinates","258837","2020-11-06","12:14:30",""
"7705362","23.6443","0.0016","18.6688","0.0007","19.2429","0.001","90","","109.089","0.005","90","","8027","0.8","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H64 Cl N2 O2 Ti -","- C43 H64 Cl N2 O2 Ti -","- C344 H512 Cl8 N16 O16 Ti8 -","8","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Pikies, Jerzy; Ponikiewski, Łukasz","Synthesis of compounds with C-P-P and C[double bond, length as m-dash]P-P bond systems based on the phospha-Wittig reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13635","13646","10.1039/d0dt02728f","","x-ray","0.71073","MoKα","","0.1299","0.0709","","","0.1875","0.214","","","","","","1.069","","","","has coordinates,has disorder","258837","2020-11-06","12:14:30",""
"7705363","9.736","0.0002","27.4049","0.0006","19.8324","0.0003","90","","96.612","0.001","90","","5256.37","0.18","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H84 Cl N2 O2 P2 Si Ti -","- C50 H84 Cl N2 O2 P2 Si Ti -","- C200 H336 Cl4 N8 O8 P8 Si4 Ti4 -","4","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Pikies, Jerzy; Ponikiewski, Łukasz","Synthesis of compounds with C-P-P and C[double bond, length as m-dash]P-P bond systems based on the phospha-Wittig reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13635","13646","10.1039/d0dt02728f","","x-ray","0.71073","MoKα","","0.0973","0.056","","","0.1329","0.156","","","","","","1.025","","","","has coordinates","258837","2020-11-06","12:14:30",""
"7705364","16.9626","0.0009","11.7424","0.0006","19.4368","0.001","90","","98.64","0.004","90","","3827.5","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H60 Cl N2 O2 Ti -","- C41 H60 Cl N2 O2 Ti -","- C164 H240 Cl4 N8 O8 Ti4 -","4","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Pikies, Jerzy; Ponikiewski, Łukasz","Synthesis of compounds with C-P-P and C[double bond, length as m-dash]P-P bond systems based on the phospha-Wittig reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13635","13646","10.1039/d0dt02728f","","x-ray","0.71073","MoKα","","0.1222","0.0548","","","0.1194","0.1383","","","","","","1.009","","","","has coordinates","258837","2020-11-06","12:14:30",""
"7705365","17.3918","0.0007","10.785","0.0003","21.7583","0.0009","90","","100.543","0.003","90","","4012.3","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H56 Cl N2 O2 Ti -","- C45 H56 Cl N2 O2 Ti -","- C180 H224 Cl4 N8 O8 Ti4 -","4","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Pikies, Jerzy; Ponikiewski, Łukasz","Synthesis of compounds with C-P-P and C[double bond, length as m-dash]P-P bond systems based on the phospha-Wittig reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13635","13646","10.1039/d0dt02728f","","x-ray","0.71073","MoKα","","0.1451","0.0621","","","0.1209","0.1435","","","","","","1.015","","","","has coordinates,has disorder","258837","2020-11-06","12:14:30",""
"7705366","11.8988","0.0004","22.2268","0.0008","22.0748","0.0007","88.458","0.003","84.52","0.003","74.716","0.003","5605.9","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H78 N2 O3 Si Ti -","- C58 H66 N2 O3 Si Ti -","- C232 H264 N8 O12 Si4 Ti4 -","4","2","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Pikies, Jerzy; Ponikiewski, Łukasz","Synthesis of compounds with C-P-P and C[double bond, length as m-dash]P-P bond systems based on the phospha-Wittig reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13635","13646","10.1039/d0dt02728f","","x-ray","0.71073","MoKα","","0.2241","0.0915","","","0.2188","0.2846","","","","","","0.961","","","","has coordinates","258837","2020-11-06","12:14:30",""
"7705367","21.14124","0.00015","22.83951","0.00017","20.55852","0.00015","90","","90.3997","0.0007","90","","9926.55","0.13","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 Cr F18 N10 P3 -","- C44 H38 Cr F18 N10 P3 -","- C352 H304 Cr8 F144 N80 P24 -","8","2","","Jiménez, Juan-Ramón; Poncet, Maxime; Doistau, Benjamin; Besnard, Céline; Piguet, Claude","Luminescent polypyridyl heteroleptic Cr<sup>III</sup> complexes with high quantum yields and long excited state lifetimes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13528","13532","10.1039/d0dt02872j","","x-ray","1.54184","CuKα","","0.0659","0.0542","","","0.1505","0.1579","","","","","","1.065","","","","has coordinates","258826","2020-11-06","12:10:58",""
"7705368","13.1076","0.0005","13.846","0.0005","14.7792","0.0005","100.865","0.003","90.278","0.003","108.118","0.003","2497.76","0.17","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C52 H35 Cr F9 N7 O10 S3 -","- C52 H35 Cr F9 N7 O10 S3 -","- C104 H70 Cr2 F18 N14 O20 S6 -","2","1","","Jiménez, Juan-Ramón; Poncet, Maxime; Doistau, Benjamin; Besnard, Céline; Piguet, Claude","Luminescent polypyridyl heteroleptic Cr<sup>III</sup> complexes with high quantum yields and long excited state lifetimes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13528","13532","10.1039/d0dt02872j","","x-ray","1.54184","CuKα","","0.0516","0.05","","","0.1271","0.1283","","","","","","1.041","","","","has coordinates","258826","2020-11-06","12:10:59",""
"7705369","12.5368","0.0002","12.0583","0.0002","13.3923","0.0002","90","","103.77","0.002","90","","1966.36","0.06","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 Cl3 Cr N3 -","- C23 H15 Cl3 Cr N3 -","- C92 H60 Cl12 Cr4 N12 -","4","0.5","","Jiménez, Juan-Ramón; Poncet, Maxime; Doistau, Benjamin; Besnard, Céline; Piguet, Claude","Luminescent polypyridyl heteroleptic Cr<sup>III</sup> complexes with high quantum yields and long excited state lifetimes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13528","13532","10.1039/d0dt02872j","","x-ray","1.54184","CuKα","","0.0232","0.023","","","0.0686","0.0688","","","","","","1.074","","","","has coordinates","258826","2020-11-06","12:10:59",""
"7705370","17.10349","0.00006","17.98863","0.00008","28.79512","0.00012","90","","90","","90","","8859.35","0.06","149.99","0.1","149.99","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C42.17 H32 Cr F17.48 N8 O0.52 P2.83 S0.17 -","- C42.174 H32 Cr F17.478 N8 O0.522 P2.826 S0.174 -","- C337.392 H256 Cr8 F139.824 N64 O4.176 P22.608 S1.392 -","8","1","","Jiménez, Juan-Ramón; Poncet, Maxime; Doistau, Benjamin; Besnard, Céline; Piguet, Claude","Luminescent polypyridyl heteroleptic Cr<sup>III</sup> complexes with high quantum yields and long excited state lifetimes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13528","13532","10.1039/d0dt02872j","","x-ray","1.54184","CuKα","","0.0459","0.0452","","","0.12","0.1206","","","","","","1.04","","","","has coordinates,has disorder","258826","2020-11-06","12:10:59",""
"7705371","7.662","0.003","11.728","0.004","13.861","0.005","66.772","0.005","88.819","0.005","83.752","0.005","1137.4","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H34 Cu2 N10 O10 -","- C52 H26 Cu2 N10 O10 -","- C52 H26 Cu2 N10 O10 -","1","0.5","","Roy, Manasi; Pal, Arun K.; Adhikary, Amit; Datta, Ayan; Mondal, Raju","Paradoxical design of a serendipitous pyrazolate bridging mode: a pragmatic strategy for inducing ineluctable ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13704","13716","10.1039/d0dt02468f","","","0.71073","MoKα","","0.1484","0.0741","","","0.1621","0.1948","","","","","","0.939","","","","has coordinates","258824","2020-11-06","12:10:27",""
"7705372","7.6549","0.0006","11.8774","0.001","14.2863","0.0012","66.863","0.002","85.137","0.002","82.646","0.002","1183.77","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H30 Cu2 N8 O16 -","- C48 H30 Cu2 N8 O16 -","- C48 H30 Cu2 N8 O16 -","1","0.5","","Roy, Manasi; Pal, Arun K.; Adhikary, Amit; Datta, Ayan; Mondal, Raju","Paradoxical design of a serendipitous pyrazolate bridging mode: a pragmatic strategy for inducing ineluctable ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13704","13716","10.1039/d0dt02468f","","","0.71073","MoKα","","0.0705","0.0573","","","0.1462","0.1528","","","","","","1.05","","","","has coordinates","258824","2020-11-06","12:10:28",""
"7705373","7.728","0.003","15.278","0.005","15.982","0.006","67.547","0.005","88.845","0.005","85.603","0.005","1738.7","1.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H56 Cu2 N10 O14 -","- C78 H56 Cu2 N10 O14 -","- C78 H56 Cu2 N10 O14 -","1","0.5","","Roy, Manasi; Pal, Arun K.; Adhikary, Amit; Datta, Ayan; Mondal, Raju","Paradoxical design of a serendipitous pyrazolate bridging mode: a pragmatic strategy for inducing ineluctable ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13704","13716","10.1039/d0dt02468f","","","0.71073","MoKα","","0.1787","0.0837","","","0.1863","0.2203","","","","","","1.009","","","","has coordinates,has disorder","258824","2020-11-06","12:10:28",""
"7705374","9.968","0.008","11.307","0.009","24.796","0.019","96.56","0.03","90.82","0.03","103.37","0.03","2699","4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H104 Cu5 N18 O30 -","- C106 H82 Cu5 N18 O30 -","- C106 H82 Cu5 N18 O30 -","1","0.5","","Roy, Manasi; Pal, Arun K.; Adhikary, Amit; Datta, Ayan; Mondal, Raju","Paradoxical design of a serendipitous pyrazolate bridging mode: a pragmatic strategy for inducing ineluctable ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13704","13716","10.1039/d0dt02468f","","","0.71073","MoKα","","0.2587","0.1264","","","0.264","0.3007","","","","","","1.103","","","","has coordinates","258824","2020-11-06","12:10:28",""
"7705375","7.4682","0.0015","12.244","0.002","23.789","0.005","90","","92.242","0.006","90","","2173.6","0.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 Cl2 Cu2 N8 O12 -","- C46 H32 Cl2 Cu2 N8 O12 -","- C92 H64 Cl4 Cu4 N16 O24 -","2","0.5","","Roy, Manasi; Pal, Arun K.; Adhikary, Amit; Datta, Ayan; Mondal, Raju","Paradoxical design of a serendipitous pyrazolate bridging mode: a pragmatic strategy for inducing ineluctable ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13704","13716","10.1039/d0dt02468f","","","0.71073","MoKα","","0.1518","0.061","","","0.1133","0.1332","","","","","","0.948","","","","has coordinates,has disorder","258824","2020-11-06","12:10:28",""
"7705376","14.2183","0.0011","14.223","0.0009","15.4574","0.0011","102.252","0.001","92.172","0.001","110.834","0.001","2832.9","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C56.5 H56 F18 O3 P2 Pd -","- C56.5 H56 F18 O3 P2 Pd -","- C113 H112 F36 O6 P4 Pd2 -","2","1","","Sato, Ryota; Kanbara, Takaki; Kuwabara, Junpei","Air-stable Pd(0) catalyst bearing dual phosphine ligands: a detailed evaluation of air stability and catalytic property in cross-coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12814","12819","10.1039/d0dt02744h","","","0.71069","MoKα","","0.048","0.0451","","","0.1155","0.1185","","","","","","1.059","","","","has coordinates","257547","2020-10-21","18:00:00",""
"7705377","11.409","0.0003","20.0988","0.0005","12.0473","0.0002","90","","92.607","0.002","90","","2759.67","0.11","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H23 B F2 N4 O4 S2 -","- C31 H23 B F2 N4 O4 S2 -","- C124 H92 B4 F8 N16 O16 S8 -","4","0.5","","Kumar, Chandan; Agrawal, Abhijeet R.; Ghosh, Nani Gopal; Karmakar, Himadri S.; Das, Sarasija; Kumar, Neha Rani; Banewar, Vishal W.; Zade, Sanjio S.","Boron difluoride formazanates with thiophene and 3,4-ethylenedioxythiophene capping and their electrochemical polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13202","13206","10.1039/d0dt02905j","","","1.54184","CuKα","","0.0399","0.0373","","","0.111","0.1139","","","","","","1.087","","","","has coordinates,has disorder","258863","2020-11-06","12:23:00",""
"7705378","16.4124","0.0008","18.4546","0.001","27.6735","0.0012","90","","90","","90","","8381.9","0.7","150","2","150","2","","","","","","","synthesis as described","5","I b c a","-I 2b 2c","73","","","","- C42 H68 Ca N2 O6 -","- C42 H68 Ca N2 O6 -","- C336 H544 Ca8 N16 O48 -","8","0.5","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.0537","0.0421","","","0.1008","0.11","","","","","","0.811","","","","has coordinates,has disorder","257509","2020-10-21","18:00:00",""
"7705379","21.6408","0.0016","8.7328","0.0008","14.8071","0.0013","90","","112.57","0.003","90","","2584","0.4","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 F12 N2 O6 Sr -","- C20 H28 F12 N2 O6 Sr -","- C80 H112 F48 N8 O24 Sr4 -","4","0.5","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.0208","0.0187","","","0.0461","0.0469","","","","","","1.066","","","","has coordinates","257509","2020-10-21","18:00:00",""
"7705380","32.4903","0.0007","14.7726","0.0004","18.2963","0.0004","90","","95.796","0.001","90","","8736.7","0.4","150","","150","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H72 Ca N2 O6 -","- C44 H72 Ca N2 O6 -","- C352 H576 Ca8 N16 O48 -","8","1","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.0479","0.038","","","0.0958","0.1025","","","","","","1.001","","","","has coordinates,has disorder","257509","2020-10-21","18:00:00",""
"7705381","20.8202","0.0016","8.6412","0.0008","21.2767","0.0018","90","","119.027","0.003","90","","3347.1","0.5","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 Ba Cl4 F12 N2 O6 -","- C22 H32 Ba Cl4 F12 N2 O6 -","- C88 H128 Ba4 Cl16 F48 N8 O24 -","4","0.5","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.026","0.0232","","","0.0567","0.0577","","","","","","1.104","","","","has coordinates","257509","2020-10-21","18:00:00",""
"7705382","19.7814","0.0019","8.955","0.0008","18.2461","0.0018","90","","95.159","0.003","90","","3219.1","0.5","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 Ca Cl4 F12 N2 O6 -","- C22 H32 Ca Cl4 F12 N2 O6 -","- C88 H128 Ca4 Cl16 F48 N8 O24 -","4","0.5","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.0461","0.0356","","","0.0802","0.0852","","","","","","1.046","","","","has coordinates","257509","2020-10-21","18:00:00",""
"7705383","12.214","0.003","10.364","0.002","23.048","0.005","90","","99.28","0.008","90","","2879.4","1.1","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H64 Ba2 F24 N4 O12 -","- C44 H64 Ba2 F24 N4 O12 -","- C88 H128 Ba4 F48 N8 O24 -","2","0.5","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.0574","0.0489","","","0.1107","0.1137","","","","","","1.4","","","","has coordinates","257509","2020-10-21","18:00:00",""
"7705384","11.5178","0.0011","12.8516","0.0012","13.4163","0.001","93.561","0.003","112.062","0.003","99.661","0.003","1797.3","0.3","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C21 H34 Cl6 F12 N2 O7 Sr -","- C21 H34 Cl6 F12 N2 O7 Sr -","- C42 H68 Cl12 F24 N4 O14 Sr2 -","2","1","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.0623","0.0464","","","0.1037","0.1124","","","","","","1.034","","","","has coordinates","257509","2020-10-21","18:00:00",""
"7705385","6.6356","0.0008","12.769","0.0014","15.2327","0.0015","68.157","0.003","84.686","0.003","83.583","0.004","1188.7","0.2","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C18 H26 F12 N2 O5 -","- C18 H26 F12 N2 O5 -","- C36 H52 F24 N4 O10 -","2","1","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.0624","0.0509","","","0.1306","0.1394","","","","","","1.06","","","","has coordinates","257509","2020-10-21","18:00:00",""
"7705386","5.5168","0.0009","10.777","0.002","12.424","0.003","114.82","0.008","95.801","0.007","99.354","0.008","649.6","0.2","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C20 H30 F12 N2 O6 -","- C20 H30 F12 N2 O6 -","- C20 H30 F12 N2 O6 -","1","0.5","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.1366","0.0688","","","0.1474","0.177","","","","","","1.019","","","","has coordinates","257509","2020-10-21","18:00:00",""
"7705387","18.982","0.002","10.4417","0.0012","14.3738","0.0014","90","","90","","90","","2848.9","0.5","150","","150","","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C22 H32 F12 N2 O6 Sr -","- C22 H32 F12 N2 O6 Sr -","- C88 H128 F48 N8 O24 Sr4 -","4","1","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.0295","0.0248","","","0.0557","0.0571","","","","","","1.113","","","","has coordinates","257509","2020-10-21","18:00:00",""
"7705388","10.8782","0.0013","17.303","0.002","22.116","0.003","74.944","0.004","84.341","0.004","81.408","0.004","3967","0.9","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C40 H66 N2 O5 -","- C40 H66 N2 O5 -","- C160 H264 N8 O20 -","4","2","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.1498","0.065","","","0.1337","0.1648","","","","","","1.017","","","","has coordinates,has disorder","257509","2020-10-21","18:00:00",""
"7705389","9.669","0.004","10.306","0.004","11.284","0.004","77.298","0.014","83.866","0.014","74.776","0.014","1057","0.7","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C44 H78 N2 O8 -","- C44 H78 N2 O8 -","- C44 H78 N2 O8 -","1","0.5","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.2628","0.1739","","","0.4636","0.51","","","","","","1.1","","","","has coordinates","257509","2020-10-21","18:00:00",""
"7705390","29.373","0.004","29.373","0.004","20.654","0.004","90","","90","","120","","15432","4","200","","200","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C32 H46 Cu N2 O4 -","- C32 H46 Cu N2 O4 -","- C576 H828 Cu18 N36 O72 -","18","0.5","","Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F.","Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12990","13002","10.1039/d0dt02524k","","x-ray","0.71073","MoKα","","0.0904","0.0684","","","0.1861","0.2187","","","","","","1.139","","","","has coordinates","257507","2020-10-21","18:00:00",""
"7705391","22.432","0.005","11.329","0.002","13.48","0.003","90","","117.1","0.03","90","","3049.6","1.4","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 N2 O4 -","- C36 H40 N2 O4 -","- C144 H160 N8 O16 -","4","0.5","","Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F.","Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12990","13002","10.1039/d0dt02524k","","x-ray","0.71073","MoKα","","0.0775","0.0537","","","0.132","0.1526","","","","","","1.084","","","","has coordinates","257507","2020-10-21","18:00:00",""
"7705392","10.267","0.002","11.826","0.002","15.541","0.003","76.67","0.03","83.43","0.03","80.89","0.03","1807","0.6","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H60 N2 O2 -","- C38 H60 N2 O2 -","- C76 H120 N4 O4 -","2","1","","Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F.","Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12990","13002","10.1039/d0dt02524k","","x-ray","1.54178","CuKα","","0.061","0.0437","","","0.1179","0.1314","","","","","","1.042","","","","has coordinates,has disorder","257507","2020-10-21","18:00:00",""
"7705393","22.352","0.003","22.352","0.003","33.005","0.007","90","","90","","90","","16490","5","200","","200","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C44.5 H56 Cu N2 O2 -","- C44.5 H56 Cu N2 O2 -","- C712 H896 Cu16 N32 O32 -","16","1","","Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F.","Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12990","13002","10.1039/d0dt02524k","","x-ray","0.71073","MoKα","","0.1204","0.0593","","","0.1434","0.172","","","","","","1.08","","","","has coordinates,has disorder","257507","2020-10-21","18:00:00",""
"7705394","22.84","0.005","25.399","0.005","16.261","0.003","90","","90","","90","","9433","3","200","","200","","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C36.36 H38.71 Cl0.71 Cu F6 N2 O4 Sb -","- C36.357 H38.712 Cl0.714 Cu F6 N2 O4 Sb -","- C290.856 H309.696 Cl5.712 Cu8 F48 N16 O32 Sb8 -","8","0.5","","Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F.","Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12990","13002","10.1039/d0dt02524k","","x-ray","1.54184","CuKα","","0.0671","0.0571","","","0.1801","0.1934","","","","","","1.125","","","","has coordinates,has disorder","257507","2020-10-21","18:00:00",""
"7705395","17.661","0.004","16.537","0.003","13.206","0.003","90","","101.07","0.03","90","","3785.2","1.4","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H29 Cu0.5 N O -","- C19 H29 Cu0.5 N O -","- C152 H232 Cu4 N8 O8 -","8","1","","Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F.","Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12990","13002","10.1039/d0dt02524k","","x-ray","0.71073","MoKα","","0.0545","0.0372","","","0.0814","0.0922","","","","","","1.151","","","","has coordinates,has disorder","257507","2020-10-21","18:00:00",""
"7705396","11.027","0.002","13.071","0.003","14.287","0.003","108.75","0.03","92.22","0.03","91.99","0.03","1946.1","0.8","200","","200","","","","","","","","","8","P -1","-P 1","2","","","","- C32.98 H47.96 Cl1.96 Cu F6 N2 O4 Sb -","- C32.978 H47.956 Cl1.956 Cu F6 N2 O4 Sb -","- C65.956 H95.912 Cl3.912 Cu2 F12 N4 O8 Sb2 -","2","1","","Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F.","Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12990","13002","10.1039/d0dt02524k","","x-ray","0.71073","MoKα","","0.0927","0.0603","","","0.123","0.1362","","","","","","1.153","","","","has coordinates,has disorder","257507","2020-10-21","18:00:00",""
"7705397","21.012","0.002","21.012","0.002","21.012","0.002","115.759","0.017","115.759","0.017","115.759","0.017","4814","5","200","","200","","","","","","","","","6","R -3 :R","-P 3*","148","","","","- C36.16 H38.32 Cl0.32 Cu N2 O4 -","- C36.1577 H38.316 Cl0.315 Cu N2 O4 -","- C216.946 H229.896 Cl1.89 Cu6 N12 O24 -","6","1","","Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F.","Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12990","13002","10.1039/d0dt02524k","","x-ray","0.71073","MoKα","","0.1152","0.0562","","","0.1054","0.1343","","","","","","1.093","","","","has coordinates,has disorder","257507","2020-10-21","18:00:00",""
"7705398","5.8144","","5.8167","","8.5272","","98.1845","","100.663","","92.5791","","279.773","","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- La2 Li O6 V -","- La2 Li O6 V -","- La4 Li2 O12 V2 -","2","1","","Zadoya, A. I.; Arévalo-López, Á M; Sánchez-Benítez, J; Huvé, M; Blach, J.-F.; Merkel, S.; Hilairet, N.; Chantel, J.; Colmont, M.","High pressure exploration in the Li-Ln-V-O system.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13663","13670","10.1039/d0dt02721a","","x-ray","0.71073","MoKα","","0.0564","0.0494","","","0.0646","0.0651","","","","3.84","3.84","3.47","","","","has coordinates","258827","2020-11-06","12:11:21",""
"7705399","19.4507","","5.7848","","12.2593","","90","","117.847","","90","","1219.66","","293","","293","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Li Nd5 O13 V2 -","- Li Nd5 O13 V2 -","- Li4 Nd20 O52 V8 -","4","0.5","","Zadoya, A. I.; Arévalo-López, Á M; Sánchez-Benítez, J; Huvé, M; Blach, J.-F.; Merkel, S.; Hilairet, N.; Chantel, J.; Colmont, M.","High pressure exploration in the Li-Ln-V-O system.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13663","13670","10.1039/d0dt02721a","","x-ray","0.56086","AgKα","","0.0814","0.038","","","0.0378","0.0631","","","","1.19","1.19","1.53","","","","has coordinates","258827","2020-11-06","12:11:31",""
"7705400","5.8167","0.0015","12.2954","0.0028","18.7221","","102.03","","98.7568","","103.543","","1244.4","0.4","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- La5 Li O13 V2 -","- La5 Li O13 V2 -","- La20 Li4 O52 V8 -","4","2","","Zadoya, A. I.; Arévalo-López, Á M; Sánchez-Benítez, J; Huvé, M; Blach, J.-F.; Merkel, S.; Hilairet, N.; Chantel, J.; Colmont, M.","High pressure exploration in the Li-Ln-V-O system.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13663","13670","10.1039/d0dt02721a","","x-ray","0.56087","AgKα","","0.1126","0.0759","","","0.1031","0.1125","","","","2.32","2.32","2.1","","","","has coordinates","258827","2020-11-06","12:11:31",""
"7705401","14.9522","0.0007","11.4148","0.0007","23.0815","0.0012","90","","96.781","0.002","90","","3911.9","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H38 Cl4 Dy2 N6 O10 -","- C28 H38 Cl4 Dy2 N6 O10 -","- C112 H152 Cl16 Dy8 N24 O40 -","4","0.5","","Acharya, Joydev; Ahmed, Naushad; Flores Gonzalez, Jessica; Kumar, Pawan; Cador, Olivier; Singh, Saurabh Kumar; Pointillart, Fabrice; Chandrasekhar, Vadapalli","Slow magnetic relaxation in a homo dinuclear Dy(iii) complex in a pentagonal bipyramidal geometry.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13110","13122","10.1039/d0dt02881a","","","0.71073","MoKα","","0.0768","0.051","","","0.1198","0.1348","","","","","","1.125","","","","has coordinates","257514","2020-10-21","18:00:00",""
"7705402","14.909","0.0006","11.5451","0.0006","22.9371","0.0009","90","","90.379","0.004","90","","3948","0.3","119.98","0.1","119.98","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H38 Cl4 N6 O11 Y2 -","- C28 H38 Cl4 N6 O11 Y2 -","- C112 H152 Cl16 N24 O44 Y8 -","4","0.5","","Acharya, Joydev; Ahmed, Naushad; Flores Gonzalez, Jessica; Kumar, Pawan; Cador, Olivier; Singh, Saurabh Kumar; Pointillart, Fabrice; Chandrasekhar, Vadapalli","Slow magnetic relaxation in a homo dinuclear Dy(iii) complex in a pentagonal bipyramidal geometry.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13110","13122","10.1039/d0dt02881a","","x-ray","0.71073","MoKα","","0.0714","0.058","","","0.151","0.1561","","","","","","1.1","","","","has coordinates","257514","2020-10-21","18:00:00",""
"7705403","24.29","0.002","25.025","0.002","28.319","0.003","90","","90","","90","","17214","3","100","2","100.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C84 H117 Cu2 N6 P7 Si -","- C84 H117 Cu2 N6 P7 Si -","- C672 H936 Cu16 N48 P56 Si8 -","8","1","","Jo, Minyoung; Li, Jingbai; Dragulescu-Andrasi, Alina; Rogachev, Andrey Yu; Shatruk, Michael","Incorporation of coinage metal-NHC complexes into heptaphosphide clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12955","12959","10.1039/d0dt03119d","","","0.71073","MoKα","","0.1389","0.0882","","","0.2103","0.2456","","","","","","1.027","","","","has coordinates,has disorder","257504","2020-10-21","18:00:00",""
"7705404","18.4686","0.0002","17.4445","0.0001","34.225","0.0003","90","","125.216","0.001","90","","9008.44","0.18","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C85 H116 Au3 N6 O P7 -","- C85 H116 Au3 N6 O P7 -","- C340 H464 Au12 N24 O4 P28 -","4","1","","Jo, Minyoung; Li, Jingbai; Dragulescu-Andrasi, Alina; Rogachev, Andrey Yu; Shatruk, Michael","Incorporation of coinage metal-NHC complexes into heptaphosphide clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12955","12959","10.1039/d0dt03119d","","x-ray","1.54184","CuKα","","0.0382","0.0358","","","0.0974","0.0989","","","","","","1.064","","","","has coordinates","257504","2020-10-21","18:00:00",""
"7705405","14.9819","0.0003","19.1809","0.0004","20.0515","0.0004","75.2303","0.0017","70.2676","0.0018","67.3264","0.0019","4952.68","0.19","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C122.8 H118.6 F6 O3.6 P3 Ru -","- C122.8 H118.6 F6 O3.6 P3 Ru -","- C245.6 H237.2 F12 O7.2 P6 Ru2 -","2","1","","Lorenz, Rebecca; Reger, David; Weller, Ruth; Jux, Norbert; Burzlaff, Nicolai","Hexa-<i>peri</i>-hexabenzocoronene decorated with an allenylidene ruthenium complex - almost a flyswatter.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13134","13141","10.1039/d0dt02729d","","x-ray","0.71073","MoKα","","0.0683","0.0541","","","0.1425","0.1552","","","","","","1.052","","","","has coordinates,has disorder","257501","2020-10-21","18:00:00",""
"7705406","10.3228","0.00009","18.3779","0.00015","23.0249","0.0002","90","","90","","90","","4368.09","0.06","100.01","0.1","100.01","0.1","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C45 H41 Cl4 N2 O5 P2 Rh -","- C45 H41 Cl4 N2 O5 P2 Rh -","- C180 H164 Cl16 N8 O20 P8 Rh4 -","4","0.5","","Charles, R. Malcolm; Taylor, Natalie S.; Mercado, Angel A.; Frost, Connor E.; Yokley, Timothy W.; Eckenhoff, William T.; Schley, Nathan D.; DeYonker, Nathan J.; Brewster, Timothy P.","Systematic evaluation of the electronic effect of aluminum-containing ligands in iridium-aluminum and rhodium-aluminum bimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13029","13043","10.1039/d0dt02472d","","x-ray","1.54184","CuKα","","0.0398","0.0372","","","0.0835","0.0849","","","","","","1.077","","","","has coordinates","257512","2020-10-21","18:00:00",""
"7705407","10.37212","0.00018","22.4932","0.0004","17.6765","0.0003","90","","97.1411","0.0017","90","","4091.98","0.12","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H39 Cl2 Ir N2 O5 P2 -","- C44 H39 Cl2 Ir N2 O5 P2 -","- C176 H156 Cl8 Ir4 N8 O20 P8 -","4","1","","Charles, R. Malcolm; Taylor, Natalie S.; Mercado, Angel A.; Frost, Connor E.; Yokley, Timothy W.; Eckenhoff, William T.; Schley, Nathan D.; DeYonker, Nathan J.; Brewster, Timothy P.","Systematic evaluation of the electronic effect of aluminum-containing ligands in iridium-aluminum and rhodium-aluminum bimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13029","13043","10.1039/d0dt02472d","","x-ray","0.71073","MoKα","","0.0345","0.0279","","","0.053","0.0552","","","","","","1.063","","","","has coordinates,has disorder","257512","2020-10-21","18:00:00",""
"7705408","19.1415","0.0005","11.3474","0.0003","18.5807","0.0004","90","","110.521","0.003","90","","3779.74","0.18","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H37 Ir N2 O5 P2 -","- C43 H37 Ir N2 O5 P2 -","- C172 H148 Ir4 N8 O20 P8 -","4","1","","Charles, R. Malcolm; Taylor, Natalie S.; Mercado, Angel A.; Frost, Connor E.; Yokley, Timothy W.; Eckenhoff, William T.; Schley, Nathan D.; DeYonker, Nathan J.; Brewster, Timothy P.","Systematic evaluation of the electronic effect of aluminum-containing ligands in iridium-aluminum and rhodium-aluminum bimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13029","13043","10.1039/d0dt02472d","","x-ray","0.71073","MoKα","","0.0442","0.033","","","0.0524","0.0556","","","","","","1.063","","","","has coordinates","257512","2020-10-21","18:00:00",""
"7705409","19.1625","0.0006","11.3328","0.0003","18.6157","0.0006","90","","110.478","0.003","90","","3787.2","0.2","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H37 N2 O5 P2 Rh -","- C43 H37 N2 O5 P2 Rh -","- C172 H148 N8 O20 P8 Rh4 -","4","1","","Charles, R. Malcolm; Taylor, Natalie S.; Mercado, Angel A.; Frost, Connor E.; Yokley, Timothy W.; Eckenhoff, William T.; Schley, Nathan D.; DeYonker, Nathan J.; Brewster, Timothy P.","Systematic evaluation of the electronic effect of aluminum-containing ligands in iridium-aluminum and rhodium-aluminum bimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13029","13043","10.1039/d0dt02472d","","x-ray","0.71073","MoKα","","0.0461","0.0368","","","0.0723","0.0771","","","","","","1.038","","","","has coordinates","257512","2020-10-21","18:00:00",""
"7705410","9.8794","0.0003","11.262","0.0003","17.7625","0.0005","108.01","0.003","95.694","0.002","94.789","0.002","1856.52","0.1","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H37 Ir N2 O5 P2 -","- C43 H37 Ir N2 O5 P2 -","- C86 H74 Ir2 N4 O10 P4 -","2","1","","Charles, R. Malcolm; Taylor, Natalie S.; Mercado, Angel A.; Frost, Connor E.; Yokley, Timothy W.; Eckenhoff, William T.; Schley, Nathan D.; DeYonker, Nathan J.; Brewster, Timothy P.","Systematic evaluation of the electronic effect of aluminum-containing ligands in iridium-aluminum and rhodium-aluminum bimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13029","13043","10.1039/d0dt02472d","","x-ray","0.71073","MoKα","","0.0548","0.0433","","","0.0689","0.0733","","","","","","1.04","","","","has coordinates","257512","2020-10-21","18:00:00",""
"7705411","9.908","0.0004","11.2551","0.0005","17.8041","0.0007","108.05","0.004","95.964","0.003","94.62","0.004","1864.11","0.14","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H37 N2 O5 P2 Rh -","- C43 H37 N2 O5 P2 Rh -","- C86 H74 N4 O10 P4 Rh2 -","2","1","","Charles, R. Malcolm; Taylor, Natalie S.; Mercado, Angel A.; Frost, Connor E.; Yokley, Timothy W.; Eckenhoff, William T.; Schley, Nathan D.; DeYonker, Nathan J.; Brewster, Timothy P.","Systematic evaluation of the electronic effect of aluminum-containing ligands in iridium-aluminum and rhodium-aluminum bimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13029","13043","10.1039/d0dt02472d","","x-ray","0.71073","MoKα","","0.0631","0.0467","","","0.0875","0.0945","","","","","","1.053","","","","has coordinates","257512","2020-10-21","18:00:00",""
"7705412","23.4463","0.0001","16.825","0.0001","21.3989","0.0001","90","","110.031","0.001","90","","7930.87","0.09","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 N2 O5 P2 Rh -","- C46 H40 N2 O5 P2 Rh -","- C368 H320 N16 O40 P16 Rh8 -","8","1","","Charles, R. Malcolm; Taylor, Natalie S.; Mercado, Angel A.; Frost, Connor E.; Yokley, Timothy W.; Eckenhoff, William T.; Schley, Nathan D.; DeYonker, Nathan J.; Brewster, Timothy P.","Systematic evaluation of the electronic effect of aluminum-containing ligands in iridium-aluminum and rhodium-aluminum bimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13029","13043","10.1039/d0dt02472d","","x-ray","1.54184","CuKα","","0.0294","0.0293","","","0.0668","0.0669","","","","","","1.187","","","","has coordinates","257512","2020-10-21","18:00:00",""
"7705413","8.391","0.0013","10.3946","0.0004","36.317","0.007","90","","90","","90","","3167.6","0.8","293","2","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","SKR568-1rod","","- C26 H19 B2 F8 Fe N13 -","- C26 H19 B2 F8 Fe N13 -","- C104 H76 B8 F32 Fe4 N52 -","4","1","","Senthil Kumar, Kuppusamy; Del Giudice, Nicolas; Heinrich, Benoît; Douce, Laurent; Ruben, Mario","Bistable spin-crossover in a new series of [Fe(BPP-R)<sub>2</sub>]<sup>2+</sup> (BPP = 2,6-bis(pyrazol-1-yl)pyridine; R = CN) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14258","14267","10.1039/d0dt02214d","","","0.71073","MoKα","","0.1173","0.0657","","","0.159","0.1846","","","","","","1.016","","","","has coordinates","258847","2020-11-06","12:17:35",""
"7705414","17.194","0.015","8.726","0.008","19.187","0.006","90","","90.4","","90","","2879","4","293","2","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","SKR569.1","","- C24 H16 Cl2 Fe N12 O8 -","- C24 H16 Cl2 Fe N12 O8 -","- C96 H64 Cl8 Fe4 N48 O32 -","4","1","","Senthil Kumar, Kuppusamy; Del Giudice, Nicolas; Heinrich, Benoît; Douce, Laurent; Ruben, Mario","Bistable spin-crossover in a new series of [Fe(BPP-R)<sub>2</sub>]<sup>2+</sup> (BPP = 2,6-bis(pyrazol-1-yl)pyridine; R = CN) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14258","14267","10.1039/d0dt02214d","","","0.71073","MoKα","","0.1511","0.0742","","","0.1754","0.21","","","","","","1.028","","","","has coordinates","258847","2020-11-06","12:17:35",""
"7705415","11.1367","0.0013","11.9804","0.0014","17.45","0.003","80.497","0.017","75.945","0.016","69.009","0.015","2100.8","0.6","150","","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H44 O10 Si8 -","- C32.002 H44.006 O10 Si8.001 -","- C64.004 H88.012 O20 Si16.002 -","2","1","","Chaiprasert, Thanawat; Liu, Yujia; Takeda, Nobuhiro; Unno, Masafumi","Janus ring siloxane: a versatile precursor of the extended Janus ring and tricyclic laddersiloxanes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13533","13537","10.1039/d0dt03045g","","","0.71075","MoKα","","0.0949","0.0575","","","0.1514","0.1668","","","","","","0.998","","","","has coordinates,has disorder","258823","2020-11-06","12:10:15",""
"7705416","5.450469","0.000016","12.81464","0.00004","6.36732","0.00002","90","","90","","90","","444.731","0.002","298","","298","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C I N O Sr -","- C I N O Sr -","- C4 I4 N4 O4 Sr4 -","4","0.25","","Siai, Amira; Hämmerle, Luzian; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Structure, polymorphism and luminescence of cyanate iodides MI(OCN) (M = Ba, Eu, and Sr).","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14133","14139","10.1039/d0dt02126a","powder diffraction","","1.5406","CuKalpha1","","","","","","","","","1.8435","1.0169","","","","","","","has coordinates","258846","2020-11-06","12:17:23",""
"7705417","5.69275","0.00002","13.19368","0.00007","6.65023","0.00003","90","","90","","90","","499.488","0.004","298","","298","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C Ba I N O -","- C Ba I N O -","- C4 Ba4 I4 N4 O4 -","4","0.25","","Siai, Amira; Hämmerle, Luzian; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Structure, polymorphism and luminescence of cyanate iodides MI(OCN) (M = Ba, Eu, and Sr).","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14133","14139","10.1039/d0dt02126a","powder diffraction","","1.5406","CuKalpha1","","","","","","","","","3.6598","1.0123","","","","","","","has coordinates","258846","2020-11-06","12:17:24",""
"7705418","8.54524","0.00004","4.74622","0.00002","11.60133","0.00006","90","","90","","90","","470.522","0.004","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C Ba I N O -","- C Ba I N O -","- C4 Ba4 I4 N4 O4 -","4","0.5","","Siai, Amira; Hämmerle, Luzian; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Structure, polymorphism and luminescence of cyanate iodides MI(OCN) (M = Ba, Eu, and Sr).","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14133","14139","10.1039/d0dt02126a","powder diffraction","","1.5406","CuKalpha1","","","","","","","","","1.2922","1.0586","","","","","","","has coordinates","258846","2020-11-06","12:17:25",""
"7705419","5.44922","0.00003","12.7753","0.00008","6.33545","0.00004","90","","90","","90","","441.045","0.005","298","","298","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C Eu I N O -","- C Eu I N O -","- C4 Eu4 I4 N4 O4 -","4","0.25","","Siai, Amira; Hämmerle, Luzian; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen","Structure, polymorphism and luminescence of cyanate iodides MI(OCN) (M = Ba, Eu, and Sr).","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14133","14139","10.1039/d0dt02126a","powder diffraction","","1.5406","CuKalpha1","","","","","","","","","2.8924","1.1449","","","","","","","has coordinates","258846","2020-11-06","12:17:25",""
"7705420","13.31","0.05","14.41","0.05","14.49","0.06","97.92","0.07","102.57","0.07","117.39","0.05","2316","15","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H27 N7 O4 Ru -","- C40 H27 N7 O4 Ru -","- C80 H54 N14 O8 Ru2 -","2","1","","Han, Zhong; Chen, Yuncong; Wang, Yanjun; Shi, Xiangchao; Yuan, Hao; Bai, Yang; Chen, Zhongyan; Fang, Hongbao; He, Weijiang; Guo, Zijian","Photoinduced synergistic cytotoxicity towards cancer cells <i>via</i> Ru(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13954","13957","10.1039/d0dt02627a","","","0.71073","MoKα","","0.2097","0.099","","","0.2175","0.2661","","","","","","0.831","","","","has coordinates","258849","2020-11-06","12:17:53",""
"7705421","10.971","0.002","18.18","0.003","20.965","0.003","90","","102.961","0.007","90","","4075","1.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 Cu I3 P2 -","- C44 H32 Cu I3 P2 -","- C176 H128 Cu4 I12 P8 -","4","1","","Duval, Maryne; Blons, Charlie; Mallet-Ladeira, Sonia; Delcroix, Damien; Magna, Lionel; Olivier-Bourbigou, Hélène; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Amgoune, Abderrahmane; Szalóki, György; Bourissou, Didier","Cu-Catalyzed P-C bond formation/cleavage: straightforward synthesis/ring-expansion of strained cyclic phosphoniums.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13100","13109","10.1039/d0dt03059g","","","0.71073","MoKα","","0.0808","0.0414","","","0.0705","0.0819","","","","","","0.948","","","","has coordinates","257506","2020-10-21","18:00:00",""
"7705422","12.7508","0.0001","15.3921","0.0001","14.5516","0.0001","90","","99.728","0.001","90","","2814.85","0.04","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H88 I2 Mg2 N4 O4 -","- C52 H88 I2 Mg2 N4 O4 -","- C104 H176 I4 Mg4 N8 O8 -","2","0.5","","Rösch, Andreas; Schreiner, Simon H. F.; Schüler, Philipp; Görls, Helmar; Kretschmer, Robert","Magnesium bis(amidinate) and bis(guanidinate) complexes: impact of the ligand backbone and bridging groups on the coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13072","13082","10.1039/d0dt01923b","","","1.54184","CuKα","","0.0329","0.0305","","","0.0791","0.0813","","","","","","1.042","","","","has coordinates","257500","2020-10-21","18:00:00",""
"7705423","9.499","0.0002","20.0527","0.0003","19.9097","0.0003","90","","103.793","0.002","90","","3683.05","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C79 H116 Mg2 N12 -","- C79 H116 Mg2 N12 -","- C158 H232 Mg4 N24 -","2","0.5","","Rösch, Andreas; Schreiner, Simon H. F.; Schüler, Philipp; Görls, Helmar; Kretschmer, Robert","Magnesium bis(amidinate) and bis(guanidinate) complexes: impact of the ligand backbone and bridging groups on the coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13072","13082","10.1039/d0dt01923b","","","1.54184","CuKα","","0.0489","0.0462","","","0.1268","0.1303","","","","","","1.035","","","","has coordinates,has disorder","257500","2020-10-21","18:00:00",""
"7705424","9.8229","0.0002","10.7632","0.0002","23.2089","0.0004","90","","97.157","0.001","90","","2434.66","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H68 Mg2 N12 -","- C52 H68 Mg2 N12 -","- C104 H136 Mg4 N24 -","2","0.5","","Rösch, Andreas; Schreiner, Simon H. F.; Schüler, Philipp; Görls, Helmar; Kretschmer, Robert","Magnesium bis(amidinate) and bis(guanidinate) complexes: impact of the ligand backbone and bridging groups on the coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13072","13082","10.1039/d0dt01923b","","","1.54184","CuKα","","0.042","0.0375","","","0.0942","0.0978","","","","","","1.031","","","","has coordinates,has disorder","257500","2020-10-21","18:00:00",""
"7705425","9.8996","0.0002","12.4467","0.0002","31.2573","0.0005","93.288","0.001","97.15","0.001","108.083","0.002","3613.88","0.12","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H112 Mg2 N8 -","- C72 H112 Mg2 N8 -","- C144 H224 Mg4 N16 -","2","1","","Rösch, Andreas; Schreiner, Simon H. F.; Schüler, Philipp; Görls, Helmar; Kretschmer, Robert","Magnesium bis(amidinate) and bis(guanidinate) complexes: impact of the ligand backbone and bridging groups on the coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13072","13082","10.1039/d0dt01923b","","","1.54184","CuKα","","0.0448","0.0373","","","0.0945","0.0992","","","","","","1.035","","","","has coordinates","257500","2020-10-21","18:00:00",""
"7705426","14.3957","0.0005","14.0381","0.0005","16.1228","0.0007","90","","113.306","0.005","90","","2992.4","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H88 Mg2 N12 -","- C65 H88 Mg2 N12 -","- C130 H176 Mg4 N24 -","2","0.5","","Rösch, Andreas; Schreiner, Simon H. F.; Schüler, Philipp; Görls, Helmar; Kretschmer, Robert","Magnesium bis(amidinate) and bis(guanidinate) complexes: impact of the ligand backbone and bridging groups on the coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13072","13082","10.1039/d0dt01923b","","","1.54184","CuKα","","0.051","0.0451","","","0.1215","0.1272","","","","","","1.043","","","","has coordinates,has disorder","257500","2020-10-21","18:00:00",""
"7705427","12.6943","0.0004","17.8808","0.0006","19.6828","0.0004","107.811","0.002","105.29","0.002","102.834","0.003","3873.6","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C81 H124 Mg2 N8 -","- C81 H124 Mg2 N8 -","- C162 H248 Mg4 N16 -","2","1","","Rösch, Andreas; Schreiner, Simon H. F.; Schüler, Philipp; Görls, Helmar; Kretschmer, Robert","Magnesium bis(amidinate) and bis(guanidinate) complexes: impact of the ligand backbone and bridging groups on the coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13072","13082","10.1039/d0dt01923b","","","1.54184","CuKα","","0.0949","0.0763","","","0.2036","0.2245","","","","","","1.058","","","","has coordinates,has disorder","257500","2020-10-21","18:00:00",""
"7705428","10.6932","0.0002","30.0479","0.0006","22.9544","0.0004","90","","102.733","0.002","90","","7194.1","0.2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C74 H111 Mg2 N12 -","- C74 H111 Mg2 N12 -","- C296 H444 Mg8 N48 -","4","1","","Rösch, Andreas; Schreiner, Simon H. F.; Schüler, Philipp; Görls, Helmar; Kretschmer, Robert","Magnesium bis(amidinate) and bis(guanidinate) complexes: impact of the ligand backbone and bridging groups on the coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13072","13082","10.1039/d0dt01923b","","","1.54184","CuKα","","0.0478","0.0407","","","0.1076","0.1136","","","","","","0.98","","","","has coordinates","257500","2020-10-21","18:00:00",""
"7705429","8.763","0.0006","12.9801","0.0009","43.998","0.003","90","","93.4275","0.0019","90","","4995.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Ag N5 O7 -","- C24 H22 Ag N5 O7 -","- C192 H176 Ag8 N40 O56 -","8","1","","Mandal, Rajorshi; Biradha, Kumar","Photochemical [2 + 2] polymerization of metal-organic gels of a rigid and angular diene with silver-salts of diverse anions: selective dye-sorption and luminescence by xerogels.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13744","13752","10.1039/d0dt02919j","","","0.71073","MoKα","","0.0484","0.041","","","0.105","0.109","","","","","","1.093","","","","has coordinates,has disorder","258834","2020-11-06","12:13:08",""
"7705430","8.8844","0.0006","17.8723","0.0012","11.6799","0.0008","90","","92.26","0.002","90","","1853.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H53 Cl2 Mn N6 O12 -","- C32 H53 Cl2 Mn N6 O12 -","- C64 H106 Cl4 Mn2 N12 O24 -","2","0.5","","Jana, Narayan Ch; Brandão, Paula; Frontera, Antonio; Panja, Anangamohan","A facile biomimetic catalytic activity through hydrogen atom abstraction by the secondary coordination sphere in manganese(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14216","14230","10.1039/d0dt02431g","","","0.71073","MoKα","","0.0451","0.0352","","","0.0853","0.0907","","","","","","1.037","","","","has coordinates","258851","2020-11-06","12:18:18",""
"7705431","14.3176","0.0012","15.3238","0.0013","17.612","0.0014","89.469","0.003","89.675","0.003","79.55","0.003","3799.8","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H47 Br2 Cl2 Mn N6 O10 -","- C30 H47 Br2 Cl2 Mn N6 O10 -","- C120 H188 Br8 Cl8 Mn4 N24 O40 -","4","2","","Jana, Narayan Ch; Brandão, Paula; Frontera, Antonio; Panja, Anangamohan","A facile biomimetic catalytic activity through hydrogen atom abstraction by the secondary coordination sphere in manganese(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14216","14230","10.1039/d0dt02431g","","","0.71073","MoKα","","0.0547","0.0467","","","0.1186","0.1258","","","","","","1.048","","","","has coordinates","294865","2024-09-24","08:56:34",""
"7705432","9.7066","0.0005","17.1354","0.001","11.9397","0.0007","90","","98.935","0.002","90","","1961.79","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H57 Cl2 Mn N6 O12 -","- C34 H57 Cl2 Mn N6 O12 -","- C68 H114 Cl4 Mn2 N12 O24 -","2","0.5","","Jana, Narayan Ch; Brandão, Paula; Frontera, Antonio; Panja, Anangamohan","A facile biomimetic catalytic activity through hydrogen atom abstraction by the secondary coordination sphere in manganese(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14216","14230","10.1039/d0dt02431g","","","0.71073","MoKα","","0.0376","0.0292","","","0.073","0.078","","","","","","1.049","","","","has coordinates","258851","2020-11-06","12:18:20",""
"7705433","12.2066","0.0006","13.0928","0.0008","13.7344","0.0008","62.513","0.002","83.342","0.002","72.418","0.002","1855.55","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H104 Cl4 Mn2 N12 O23 -","- C60 H104 Cl4 Mn2 N12 O23 -","- C60 H104 Cl4 Mn2 N12 O23 -","1","0.5","","Jana, Narayan Ch; Brandão, Paula; Frontera, Antonio; Panja, Anangamohan","A facile biomimetic catalytic activity through hydrogen atom abstraction by the secondary coordination sphere in manganese(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14216","14230","10.1039/d0dt02431g","","","0.71073","MoKα","","0.055","0.0401","","","0.0997","0.1093","","","","","","1.018","","","","has coordinates","258851","2020-11-06","12:18:20",""
"7705434","11.4564","0.0008","27.544","0.002","11.5369","0.0007","90","","101.261","0.006","90","","3570.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C65 H38 Dy3 N5 O21 -","- C65 H38 Dy3 N5 O21 -","- C130 H76 Dy6 N10 O42 -","2","0.5","","Zhang, Chengcheng; Ma, Xiufang; Cen, Peipei; Jin, Xiaoyong; Yang, Jinhui; Zhang, Yi-Quan; Ferrando-Soria, Jesús; Pardo, Emilio; Liu, Xiangyu","A series of lanthanide(III) metal-organic frameworks derived from a pyridyl-dicarboxylate ligand: single-molecule magnet behaviour and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14123","14132","10.1039/d0dt02736g","","","0.71073","MoKα","","0.1159","0.1016","","","0.2222","0.2296","","","","","","1.192","","","","has coordinates,has disorder","258843","2020-11-06","12:16:52",""
"7705435","11.513","0.003","27.717","0.006","11.592","0.003","90","","102.164","0.007","90","","3616","1.5","298","","298","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C65 H40.85 Gd3 N5 O22.5 -","- C65 H40.944 Gd3 N5 O22.5 -","- C130 H81.888 Gd6 N10 O45 -","2","0.5","","Zhang, Chengcheng; Ma, Xiufang; Cen, Peipei; Jin, Xiaoyong; Yang, Jinhui; Zhang, Yi-Quan; Ferrando-Soria, Jesús; Pardo, Emilio; Liu, Xiangyu","A series of lanthanide(III) metal-organic frameworks derived from a pyridyl-dicarboxylate ligand: single-molecule magnet behaviour and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14123","14132","10.1039/d0dt02736g","","","0.71073","MoKα","","0.0532","0.0429","","","0.1031","0.1086","","","","","","1.05","","","","has coordinates,has disorder","258843","2020-11-06","12:16:53",""
"7705436","11.4772","0.0005","27.6587","0.0013","11.5564","0.0005","90","","101.93","0.001","90","","3589.3","0.3","296","","296","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C65 H43 N5 O23 Tb3 -","- C65 H43 N5 O23 Tb3 -","- C130 H86 N10 O46 Tb6 -","2","0.5","","Zhang, Chengcheng; Ma, Xiufang; Cen, Peipei; Jin, Xiaoyong; Yang, Jinhui; Zhang, Yi-Quan; Ferrando-Soria, Jesús; Pardo, Emilio; Liu, Xiangyu","A series of lanthanide(III) metal-organic frameworks derived from a pyridyl-dicarboxylate ligand: single-molecule magnet behaviour and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14123","14132","10.1039/d0dt02736g","","","0.71073","MoKα","","0.0316","0.0266","","","0.0667","0.0692","","","","","","1.079","","","","has coordinates,has disorder","258843","2020-11-06","12:16:53",""
"7705437","11.52","0.002","27.7","0.005","11.6","0.002","90","","102.121","0.006","90","","3619.1","1.1","298","","298","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C65 H44 Eu3 N5 O23.5 -","- C65 H44 Eu3 N5 O23.5 -","- C130 H88 Eu6 N10 O47 -","2","0.5","","Zhang, Chengcheng; Ma, Xiufang; Cen, Peipei; Jin, Xiaoyong; Yang, Jinhui; Zhang, Yi-Quan; Ferrando-Soria, Jesús; Pardo, Emilio; Liu, Xiangyu","A series of lanthanide(III) metal-organic frameworks derived from a pyridyl-dicarboxylate ligand: single-molecule magnet behaviour and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14123","14132","10.1039/d0dt02736g","","","0.71073","MoKα","","0.0316","0.0292","","","0.0757","0.0769","","","","","","1.137","","","","has coordinates,has disorder","258843","2020-11-06","12:16:53",""
"7705438","9.5122","0.0006","10.6129","0.0007","17.1311","0.0012","91.229","0.002","95.309","0.002","91.786","0.002","1720.6","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 N O2 P3 -","- C40 H36 N O2 P3 -","- C80 H72 N2 O4 P6 -","2","1","","Harloff, Jörg; Schulz, Axel; Stoer, Philip; Villinger, Alexander","Pseudohalide HCN aggregate ions: [N<sub>3</sub>(HCN)<sub>3</sub>]<sup>-</sup>, [OCN(HCN)<sub>3</sub>]<sup>-</sup>, [SCN(HCN)<sub>2</sub>]<sup>-</sup> and [P(CN·HCN)<sub>2</sub>]<sup>-</sup> .","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13345","13351","10.1039/d0dt02973d","","","0.71073","MoKα","","0.1025","0.0529","","","0.0948","0.1107","","","","","","1.027","","","","has coordinates,has disorder","258866","2020-11-06","12:23:29",""
"7705439","10.983","0.0008","12.836","0.0011","25.3008","0.0017","90","","92.649","0.002","90","","3563","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39.98 H31.98 N4.98 P3 -","- C39.982 H31.982 N4.982 P3 -","- C159.928 H127.928 N19.928 P12 -","4","1","","Harloff, Jörg; Schulz, Axel; Stoer, Philip; Villinger, Alexander","Pseudohalide HCN aggregate ions: [N<sub>3</sub>(HCN)<sub>3</sub>]<sup>-</sup>, [OCN(HCN)<sub>3</sub>]<sup>-</sup>, [SCN(HCN)<sub>2</sub>]<sup>-</sup> and [P(CN·HCN)<sub>2</sub>]<sup>-</sup> .","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13345","13351","10.1039/d0dt02973d","","","0.71073","MoKα","","0.1099","0.0533","","","0.0989","0.1188","","","","","","1.012","","","","has coordinates,has disorder","258866","2020-11-06","12:23:30",""
"7705440","9.0732","0.0003","19.1434","0.0006","9.8622","0.0003","90","","91.602","0.001","90","","1712.31","0.09","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H32 N4 P2 S -","- C39 H32 N4 P2 S -","- C78 H64 N8 P4 S2 -","2","1","","Harloff, Jörg; Schulz, Axel; Stoer, Philip; Villinger, Alexander","Pseudohalide HCN aggregate ions: [N<sub>3</sub>(HCN)<sub>3</sub>]<sup>-</sup>, [OCN(HCN)<sub>3</sub>]<sup>-</sup>, [SCN(HCN)<sub>2</sub>]<sup>-</sup> and [P(CN·HCN)<sub>2</sub>]<sup>-</sup> .","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13345","13351","10.1039/d0dt02973d","","","0.71073","MoKα","","0.0558","0.0394","","","0.0779","0.0834","","","","","","1.025","","","","has coordinates","258866","2020-11-06","12:23:30",""
"7705441","16.1472","0.0005","16.1089","0.0006","15.3501","0.0005","90","","116.105","0.001","90","","3585.5","0.2","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H33 N7 P2 -","- C39 H33 N7 P2 -","- C156 H132 N28 P8 -","4","0.5","","Harloff, Jörg; Schulz, Axel; Stoer, Philip; Villinger, Alexander","Pseudohalide HCN aggregate ions: [N<sub>3</sub>(HCN)<sub>3</sub>]<sup>-</sup>, [OCN(HCN)<sub>3</sub>]<sup>-</sup>, [SCN(HCN)<sub>2</sub>]<sup>-</sup> and [P(CN·HCN)<sub>2</sub>]<sup>-</sup> .","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13345","13351","10.1039/d0dt02973d","","","0.71073","MoKα","","0.046","0.0356","","","0.0872","0.0942","","","","","","1.042","","","","has coordinates,has disorder","258866","2020-11-06","12:23:30",""
"7705442","16.2482","0.0005","16.0014","0.0005","15.3207","0.0005","90","","115.71","0.001","90","","3588.9","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H33 N5 O P2 -","- C40 H33 N5 O P2 -","- C160 H132 N20 O4 P8 -","4","0.5","","Harloff, Jörg; Schulz, Axel; Stoer, Philip; Villinger, Alexander","Pseudohalide HCN aggregate ions: [N<sub>3</sub>(HCN)<sub>3</sub>]<sup>-</sup>, [OCN(HCN)<sub>3</sub>]<sup>-</sup>, [SCN(HCN)<sub>2</sub>]<sup>-</sup> and [P(CN·HCN)<sub>2</sub>]<sup>-</sup> .","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13345","13351","10.1039/d0dt02973d","","","0.71073","MoKα","","0.0642","0.0405","","","0.0931","0.1042","","","","","","1.019","","","","has coordinates,has disorder","258866","2020-11-06","12:23:30",""
"7705443","13.0584","0.0013","14.2394","0.0014","14.9471","0.0015","95.291","0.003","103.753","0.003","103.358","0.003","2594.6","0.5","273.15","","273.15","","","","","","","","","8","P -1","-P 1","2","","","","- C48.5 H27 Cl5 F12 Ir N5 O2.5 S2 -","- C48.5 H27 Cl5 F12 Ir N5 O2.5 S2 -","- C97 H54 Cl10 F24 Ir2 N10 O5 S4 -","2","1","","Mei, Qunying; Sheng, Ren; Cheng, Wei; Zhang, Jie; Wang, Ping; Mei, Qunbo; Chen, Ping; Tong, Bihai","High stability and luminance efficiency thieno[2,3-<i>d</i>]pyridazine-based iridium complexes and their applications in high-performance yellow OLEDs.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13797","13804","10.1039/d0dt02886j","","","1.34138","GaKα","","0.0368","0.0363","","","0.0961","0.0965","","","","","","1.094","","","","has coordinates,has disorder","258829","2020-11-06","12:11:48",""
"7705444","12.0609","0.0007","12.8451","0.0009","22.3125","0.0014","85.936","0.002","75.667","0.002","84.697","0.002","3330.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H74 B F12 N2 O Si3 -","- C68 H74 B F12 N2 O Si3 -","- C136 H148 B2 F24 N4 O2 Si6 -","2","1","","Guddorf, Benedikt J.; Hepp, Alexander; Daniliuc, Constantin; Stephan, Douglas W.; Lips, Felicitas","An intermolecular FLP System derived from an NHC-coordinated trisilacyclopropylidene.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13386","13392","10.1039/d0dt02797a","","","0.71073","MoKα","","0.1246","0.0812","","","0.1482","0.1652","","","","","","1.049","","","","has coordinates,has disorder","258868","2020-11-06","12:23:45",""
"7705445","16.515","0.012","16.827","0.013","25.6","0.03","90","","90","","90","","7114","11","296","2","296","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C36 H43 Mo12 N4 O46 P Zn4 -","- C36 H36 Mo12 N4 O44 P Zn4 -","- C144 H144 Mo48 N16 O176 P4 Zn16 -","4","0.5","","Liu, Xiao-Mei; Meng, Fan-Qiong; Cheng, Wei-Wei; Cao, Jia-Peng; Wang, Ji-Lei; Zang, Ting-Ting; Ping, Qing-Dong; Xie, Hui; Xu, Yan","Two new isolated Zn-ε-Keggin clusters modified by conjugated organic ligands with decent electrocatalytic and third-order NLO properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14251","14257","10.1039/d0dt02897e","","","0.71073","MoKα","","0.0625","0.0545","","","0.1389","0.1458","","","","","","1.038","","","","has coordinates","258857","2020-11-06","12:19:54",""
"7705446","15.226","0.006","15.524","0.006","18.576","0.007","78.388","0.005","75.246","0.004","68.275","0.004","3916","3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H49 Mo12 N10 O44 P Zn5 -","- C52 H49 Mo12 N10 O44 P Zn5 -","- C104 H98 Mo24 N20 O88 P2 Zn10 -","2","1","","Liu, Xiao-Mei; Meng, Fan-Qiong; Cheng, Wei-Wei; Cao, Jia-Peng; Wang, Ji-Lei; Zang, Ting-Ting; Ping, Qing-Dong; Xie, Hui; Xu, Yan","Two new isolated Zn-ε-Keggin clusters modified by conjugated organic ligands with decent electrocatalytic and third-order NLO properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14251","14257","10.1039/d0dt02897e","","","0.71073","MoKα","","0.0481","0.0417","","","0.1186","0.1255","","","","","","1.022","","","","has coordinates","258857","2020-11-06","12:19:57",""
"7705447","10.8101","0.0018","15.577","0.003","17.012","0.003","84.69","0.003","76.443","0.003","74.492","0.003","2682.1","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H50 Cu2 N16 O13 V4 -","- C40 H50 Cu2 N16 O13 V4 -","- C80 H100 Cu4 N32 O26 V8 -","2","1","","Li, Jikun; Wei, Chuanping; Guo, Daigaojie; Wang, Congcong; Han, Yinfeng; He, Guofang; Zhang, Jianping; Huang, Xianqiang; Hu, Changwen","Inorganic-organic hybrid polyoxovanadates based on [V<sub>4</sub>O<sub>12</sub>]<sup>4-</sup> or [VO<sub>3</sub>]<sub>2</sub><sup>2-</sup> clusters: controllable synthesis, crystal structures and catalytic properties in selective oxidation of sulfides.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14148","14157","10.1039/d0dt03015e","","","0.71073","MoKα","","0.0799","0.0574","","","0.163","0.1805","","","","","","1.045","","","","has coordinates","258848","2020-11-06","12:17:45",""
"7705448","12.057","0.003","5.8528","0.0014","15.556","0.004","90","","98.297","0.004","90","","1086.3","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 Co N2 O7 V2 -","- C5 H8 Co N2 O7 V2 -","- C20 H32 Co4 N8 O28 V8 -","4","1","","Li, Jikun; Wei, Chuanping; Guo, Daigaojie; Wang, Congcong; Han, Yinfeng; He, Guofang; Zhang, Jianping; Huang, Xianqiang; Hu, Changwen","Inorganic-organic hybrid polyoxovanadates based on [V<sub>4</sub>O<sub>12</sub>]<sup>4-</sup> or [VO<sub>3</sub>]<sub>2</sub><sup>2-</sup> clusters: controllable synthesis, crystal structures and catalytic properties in selective oxidation of sulfides.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14148","14157","10.1039/d0dt03015e","","","0.71073","MoKα","","0.0231","0.02","","","0.0568","0.0586","","","","","","1.306","","","","has coordinates","258848","2020-11-06","12:17:45",""
"7705449","12.6684","0.0017","15.0479","0.0019","15.759","0.002","68.329","0.002","66.587","0.002","73.633","0.002","2529.6","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H48 N14 Ni2 O15 V4 -","- C35 H48 N14 Ni2 O15 V4 -","- C70 H96 N28 Ni4 O30 V8 -","2","1","","Li, Jikun; Wei, Chuanping; Guo, Daigaojie; Wang, Congcong; Han, Yinfeng; He, Guofang; Zhang, Jianping; Huang, Xianqiang; Hu, Changwen","Inorganic-organic hybrid polyoxovanadates based on [V<sub>4</sub>O<sub>12</sub>]<sup>4-</sup> or [VO<sub>3</sub>]<sub>2</sub><sup>2-</sup> clusters: controllable synthesis, crystal structures and catalytic properties in selective oxidation of sulfides.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14148","14157","10.1039/d0dt03015e","","","0.71073","MoKα","","0.0651","0.0521","","","0.1422","0.1537","","","","","","1.043","","","","has coordinates","258848","2020-11-06","12:17:45",""
"7705450","39.314","0.007","39.314","0.007","10.636","0.002","90","","90","","120","","14237","4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C60.33 H96.67 Ga4 N2 O4 -","- C58 H94 Ga4 N2 O4 -","- C522 H846 Ga36 N18 O36 -","9","0.5","","Ghosh, Swarup; Glöckler, Eduard; Wölper, Christoph; Tjaberings, Alexander; Gröschel, André H; Schulz, Stephan","Active Ga-catalysts for the ring opening homo- and copolymerization of cyclic esters, and copolymerization of epoxide and anhydrides.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13475","13486","10.1039/d0dt02831b","","","0.71073","MoKα","","0.0633","0.0429","","","0.0933","0.0997","","","","","","1.088","","","","has coordinates,has disorder","258873","2020-11-06","12:25:13",""
"7705451","7.8895","0.0008","17.1647","0.0017","13.2719","0.0013","90","","93.448","0.004","90","","1794","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 Cl4 Ga4 N2 O4 -","- C28 H42 Cl4 Ga4 N2 O4 -","- C56 H84 Cl8 Ga8 N4 O8 -","2","0.5","","Ghosh, Swarup; Glöckler, Eduard; Wölper, Christoph; Tjaberings, Alexander; Gröschel, André H; Schulz, Stephan","Active Ga-catalysts for the ring opening homo- and copolymerization of cyclic esters, and copolymerization of epoxide and anhydrides.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13475","13486","10.1039/d0dt02831b","","","1.54178","CuKα","","0.0293","0.0274","","","0.0718","0.0738","","","","","","1.068","","","","has coordinates","258873","2020-11-06","12:25:13",""
"7705452","17.0092","0.0006","28.156","0.001","25.5123","0.0009","90","","107.148","0.001","90","","11675","0.7","120","2","120.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C116 H95 Cl4 Dy3 N8 O24 -","- C116 H95 Cl4 Dy3 N8 O24 -","- C464 H380 Cl16 Dy12 N32 O96 -","4","1","","Wu, Si-Guo; Peng, Yuan-Yuan; Chen, Yan-Cong; Liu, Jun-Liang; Tong, Ming-Liang","Magnetic dynamics of an open-ring tridysprosium complex employing mixed ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14140","14147","10.1039/d0dt02698k","","","0.71073","MoKα","","0.0966","0.0623","","","0.1424","0.1621","","","","","","1.029","","","","has coordinates","258842","2020-11-06","12:16:38",""
"7705453","12.2038","0.0009","15.3","0.0011","12.3636","0.001","90","","105.697","0.002","90","","2222.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Cl2 Dy2 N4 O10 -","- C42 H52 Cl2 Dy2 N4 O10 -","- C84 H104 Cl4 Dy4 N8 O20 -","2","0.5","","Shen, Fu-Xing; Pramanik, Kuheli; Brandão, Paula; Zhang, Yi-Quan; Jana, Narayan Ch; Wang, Xin-Yi; Panja, Anangamohan","Macrocycle supported dimetallic lanthanide complexes with slow magnetic relaxation in Dy<sub>2</sub> analogues.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14169","14179","10.1039/d0dt02778b","","","0.71073","MoKα","","0.038","0.0299","","","0.057","0.0604","","","","","","1.158","","","","has coordinates","258852","2020-11-06","12:18:32",""
"7705454","12.373","0.002","16.244","0.003","12.411","0.002","90","","100.85","0.03","90","","2449.9","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 Cl2 F12 Gd2 N4 O10 -","- C42 H40 Cl2 F12 Gd2 N4 O10 -","- C84 H80 Cl4 F24 Gd4 N8 O20 -","2","0.5","","Shen, Fu-Xing; Pramanik, Kuheli; Brandão, Paula; Zhang, Yi-Quan; Jana, Narayan Ch; Wang, Xin-Yi; Panja, Anangamohan","Macrocycle supported dimetallic lanthanide complexes with slow magnetic relaxation in Dy<sub>2</sub> analogues.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14169","14179","10.1039/d0dt02778b","","","0.71073","MoKα","","0.0342","0.0249","","","0.0506","0.0534","","","","","","1.085","","","","has coordinates,has disorder","258852","2020-11-06","12:18:32",""
"7705455","12.195","0.007","15.315","0.009","12.354","0.008","90","","105.25","0.02","90","","2226","2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Cl2 N4 O10 Tb2 -","- C42 H52 Cl2 N4 O10 Tb2 -","- C84 H104 Cl4 N8 O20 Tb4 -","2","0.5","","Shen, Fu-Xing; Pramanik, Kuheli; Brandão, Paula; Zhang, Yi-Quan; Jana, Narayan Ch; Wang, Xin-Yi; Panja, Anangamohan","Macrocycle supported dimetallic lanthanide complexes with slow magnetic relaxation in Dy<sub>2</sub> analogues.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14169","14179","10.1039/d0dt02778b","","","0.71073","MoKα","","0.0422","0.0327","","","0.0605","0.0634","","","","","","1.203","","","","has coordinates","258852","2020-11-06","12:18:32",""
"7705456","12.3456","0.0009","16.1162","0.0012","12.3576","0.001","90","","101.395","0.003","90","","2410.3","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 Cl2 Dy2 F12 N4 O10 -","- C42 H40 Cl2 Dy2 F12 N4 O10 -","- C84 H80 Cl4 Dy4 F24 N8 O20 -","2","0.5","","Shen, Fu-Xing; Pramanik, Kuheli; Brandão, Paula; Zhang, Yi-Quan; Jana, Narayan Ch; Wang, Xin-Yi; Panja, Anangamohan","Macrocycle supported dimetallic lanthanide complexes with slow magnetic relaxation in Dy<sub>2</sub> analogues.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14169","14179","10.1039/d0dt02778b","","","0.71073","MoKα","","0.0445","0.0325","","","0.0689","0.0735","","","","","","1.135","","","","has coordinates,has disorder","258852","2020-11-06","12:18:32",""
"7705457","12.2419","0.0006","15.4182","0.0008","12.3911","0.0006","90","","105.119","0.002","90","","2257.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Cl2 Gd2 N4 O10 -","- C42 H52 Cl2 Gd2 N4 O10 -","- C84 H104 Cl4 Gd4 N8 O20 -","2","0.5","","Shen, Fu-Xing; Pramanik, Kuheli; Brandão, Paula; Zhang, Yi-Quan; Jana, Narayan Ch; Wang, Xin-Yi; Panja, Anangamohan","Macrocycle supported dimetallic lanthanide complexes with slow magnetic relaxation in Dy<sub>2</sub> analogues.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14169","14179","10.1039/d0dt02778b","","","0.71073","MoKα","","0.0462","0.0295","","","0.059","0.0644","","","","","","1.081","","","","has coordinates","258852","2020-11-06","12:18:32",""
"7705458","12.3426","0.0006","16.1566","0.0008","12.366","0.0006","90","","101.148","0.002","90","","2419.4","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 Cl2 F12 N4 O10 Tb2 -","- C42 H40 Cl2 F12 N4 O10 Tb2 -","- C84 H80 Cl4 F24 N8 O20 Tb4 -","2","0.5","","Shen, Fu-Xing; Pramanik, Kuheli; Brandão, Paula; Zhang, Yi-Quan; Jana, Narayan Ch; Wang, Xin-Yi; Panja, Anangamohan","Macrocycle supported dimetallic lanthanide complexes with slow magnetic relaxation in Dy<sub>2</sub> analogues.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14169","14179","10.1039/d0dt02778b","","","0.71073","MoKα","","0.0377","0.0251","","","0.055","0.0595","","","","","","1.04","","","","has coordinates,has disorder","258852","2020-11-06","12:18:32",""
"7705459","25.796","0.0003","19.9108","0.0003","32.7481","0.0005","90","","108.707","0.002","90","","15931.5","0.4","149.99","0.1","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H150 In20 N24 S33 -","- C84 H150 In20 N24 S33 -","- C336 H600 In80 N96 S132 -","4","1","","Sun, Long; Zhang, Hong-Yan; Zhang, Jian; Jia, Ying-Jie; Yu, You-Zhu; Hou, Juan-Juan; Wang, Ying-Xia; Zhang, Xian-Ming","A quasi-<i>D</i><sub>3</sub>-symmetrical metal chalcogenide cluster constructed by the corner-sharing of two T3 supertetrahedra.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13958","13961","10.1039/d0dt02420a","","","1.54184","CuKα","","0.0985","0.0859","","","0.2369","0.2485","","","","","","1.047","","","","has coordinates","258856","2020-11-06","12:19:44",""
"7705460","11.7138","0.0006","11.8974","0.0006","18.4498","0.001","83.494","0.003","88.272","0.003","82.151","0.003","2530.5","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C51.88 H61.77 B Cl2.82 Cu N8 -","- C51.884 H61.768 B Cl2.822 Cu N8 -","- C103.768 H123.536 B2 Cl5.644 Cu2 N16 -","2","1","","Álvarez, María; Molina, Francisco; Fructos, Manuel R.; Urbano, Juan; Álvarez, Eleuterio; Sodupe, Mariona; Lledós, Agustí; Pérez, Pedro J","Aerobic intramolecular carbon-hydrogen bond oxidation promoted by Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14647","14655","10.1039/d0dt03198d","","x-ray","0.71073","MoKα","","0.0655","0.0437","","","0.0989","0.1101","","","","","","1.059","","","","has coordinates,has disorder","258785","2020-11-06","11:56:41",""
"7705461","16.4916","0.0016","12.6597","0.0012","19.3006","0.0018","90","","90","","90","","4029.6","0.7","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H47 B Cu N7 -","- C44 H47 B Cu N7 -","- C176 H188 B4 Cu4 N28 -","4","1","","Álvarez, María; Molina, Francisco; Fructos, Manuel R.; Urbano, Juan; Álvarez, Eleuterio; Sodupe, Mariona; Lledós, Agustí; Pérez, Pedro J","Aerobic intramolecular carbon-hydrogen bond oxidation promoted by Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14647","14655","10.1039/d0dt03198d","","x-ray","0.71073","MoKα","","0.0476","0.0378","","","0.0822","0.0889","","","","","","1.076","","","","has coordinates,has disorder","258785","2020-11-06","11:56:42",""
"7705462","12.7579","0.0005","14.4057","0.0006","21.7302","0.0009","85.173","0.001","74.863","0.001","67.326","0.001","3556.6","0.3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C73 H82 B2 Cl2 Cu3 N12 O4 -","- C73 H82 B2 Cl2 Cu3 N12 O4 -","- C146 H164 B4 Cl4 Cu6 N24 O8 -","2","1","","Álvarez, María; Molina, Francisco; Fructos, Manuel R.; Urbano, Juan; Álvarez, Eleuterio; Sodupe, Mariona; Lledós, Agustí; Pérez, Pedro J","Aerobic intramolecular carbon-hydrogen bond oxidation promoted by Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14647","14655","10.1039/d0dt03198d","","","0.71073","MoKα","","0.0693","0.0469","","","0.1245","0.1359","","","","","","1.061","","","","has coordinates","258785","2020-11-06","11:56:42",""
"7705463","12.5272","0.0003","12.1231","0.0003","33.9287","0.0008","90","","96.758","0.001","90","","5116.9","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 B Cl4 Cu N8 -","- C50 H58 B Cl4 Cu N8 -","- C200 H232 B4 Cl16 Cu4 N32 -","4","1","","Álvarez, María; Molina, Francisco; Fructos, Manuel R.; Urbano, Juan; Álvarez, Eleuterio; Sodupe, Mariona; Lledós, Agustí; Pérez, Pedro J","Aerobic intramolecular carbon-hydrogen bond oxidation promoted by Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14647","14655","10.1039/d0dt03198d","","","0.71073","MoKα","","0.0691","0.0548","","","0.1642","0.174","","","","","","1.054","","","","has coordinates,has disorder","258785","2020-11-06","11:56:42",""
"7705464","19.4925","0.0007","11.5549","0.0004","16.8158","0.0006","90","","90.485","0.002","90","","3787.4","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H45 B Cu N7 -","- C43 H45 B Cu N7 -","- C172 H180 B4 Cu4 N28 -","4","1","","Álvarez, María; Molina, Francisco; Fructos, Manuel R.; Urbano, Juan; Álvarez, Eleuterio; Sodupe, Mariona; Lledós, Agustí; Pérez, Pedro J","Aerobic intramolecular carbon-hydrogen bond oxidation promoted by Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14647","14655","10.1039/d0dt03198d","","x-ray","0.71073","MoKα","","0.0501","0.0345","","","0.0839","0.0912","","","","","","1.052","","","","has coordinates","258785","2020-11-06","11:56:42",""
"7705465","30.491","0.006","12.963","0.002","25.072","0.005","90","","127.131","0.011","90","","7901","3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C77 H90 B2 Cu3 N12 O5 -","- C77 H90 B2 Cu3 N12 O5 -","- C308 H360 B8 Cu12 N48 O20 -","4","0.5","","Álvarez, María; Molina, Francisco; Fructos, Manuel R.; Urbano, Juan; Álvarez, Eleuterio; Sodupe, Mariona; Lledós, Agustí; Pérez, Pedro J","Aerobic intramolecular carbon-hydrogen bond oxidation promoted by Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14647","14655","10.1039/d0dt03198d","","","0.71073","MoKα","","0.1","0.0761","","","0.2051","0.2344","","","","","","1.055","","","","has coordinates","258785","2020-11-06","11:56:42",""
"7705466","7.39374","0.00017","8.1713","0.0002","13.3835","0.0003","90","","96.8777","0.0017","90","","802.77","0.03","540","","540","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 N O4 Zn -","- C8 H5 N O4 Zn -","- C32 H20 N4 O16 Zn4 -","4","1","","Zhang, Jia-Rong; Lee, Jey-Jau; Su, Chun-Hao; Tsai, Meng-Jung; Li, Chih-Yu; Wu, Jing-Yun","From lamellar net to bilayered-lamella and to porous pillared-bilayer: reversible crystal-to-crystal transformation, CO<sub>2</sub> adsorption, and fluorescence detection of Fe<sup>3+</sup>, Al<sup>3+</sup>, Cr<sup>3+</sup>, MnO<sub>4</sub><sup>-</sup>, and Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> in water.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14201","14215","10.1039/d0dt02606a","powder diffraction","x-ray","0.6889","","","0.0267","0.0267","","0.0305","0.0305","","","","1.1","","","","","","","has coordinates","258845","2020-11-06","12:17:12",""
"7705467","19.898","0.005","7.618","0.005","16.128","0.005","90","0.005","101.547","0.005","90","0.005","2395.3","1.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H30 N6 O11 Zn2 -","- C41 H30 N6 O11 Zn2 -","- C82 H60 N12 O22 Zn4 -","2","0.5","","Zhang, Jia-Rong; Lee, Jey-Jau; Su, Chun-Hao; Tsai, Meng-Jung; Li, Chih-Yu; Wu, Jing-Yun","From lamellar net to bilayered-lamella and to porous pillared-bilayer: reversible crystal-to-crystal transformation, CO<sub>2</sub> adsorption, and fluorescence detection of Fe<sup>3+</sup>, Al<sup>3+</sup>, Cr<sup>3+</sup>, MnO<sub>4</sub><sup>-</sup>, and Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> in water.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14201","14215","10.1039/d0dt02606a","","","0.71073","MoKα","","0.1095","0.0911","","","0.2483","0.2654","","","","","","1.113","","","","has coordinates,has disorder","258845","2020-11-06","12:17:13",""
"7705468","5.1763","0.0004","8.0757","0.0006","12.746","0.001","92.297","0.005","98.372","0.005","96.965","0.005","522.34","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 N2 O4 S2 -","- C18 H34 N2 O4 S2 -","- C18 H34 N2 O4 S2 -","1","0.5","","Shuvaev, Sergey; Suturina, Elizaveta A.; Rotile, Nicholas J.; Astashkin, Andrei; Ziegler, Christopher J.; Ross, Alana W.; Walker, Tia L.; Caravan, Peter; Taschner, Ian S.","Revisiting dithiadiaza macrocyclic chelators for copper-64 PET imaging.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14088","14098","10.1039/d0dt02787a","","","0.71073","MoKα","","0.0781","0.049","","","0.1202","0.1338","","","","","","1.083","","","","has coordinates","258854","2020-11-06","12:19:07",""
"7705469","9.4305","0.0004","16.2613","0.0008","9.6556","0.0005","90","","114.665","0.002","90","","1345.61","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H34 Cl2 Cu N2 O12 S2 -","- C18 H34 Cl2 Cu N2 O12 S2 -","- C36 H68 Cl4 Cu2 N4 O24 S4 -","2","0.5","","Shuvaev, Sergey; Suturina, Elizaveta A.; Rotile, Nicholas J.; Astashkin, Andrei; Ziegler, Christopher J.; Ross, Alana W.; Walker, Tia L.; Caravan, Peter; Taschner, Ian S.","Revisiting dithiadiaza macrocyclic chelators for copper-64 PET imaging.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14088","14098","10.1039/d0dt02787a","","","0.71073","MoKα","","0.0602","0.0447","","","0.0974","0.1043","","","","","","1.021","","","","has coordinates","258854","2020-11-06","12:19:16",""
"7705470","8.2747","0.0005","8.4428","0.0005","8.5526","0.0005","64.705","0.003","89.681","0.003","71.834","0.003","507.59","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H32 Cl2 N2 O6 S2 -","- C14 H28 Cl2 N2 O6 S2 -","- C14 H28 Cl2 N2 O6 S2 -","1","0.5","","Shuvaev, Sergey; Suturina, Elizaveta A.; Rotile, Nicholas J.; Astashkin, Andrei; Ziegler, Christopher J.; Ross, Alana W.; Walker, Tia L.; Caravan, Peter; Taschner, Ian S.","Revisiting dithiadiaza macrocyclic chelators for copper-64 PET imaging.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14088","14098","10.1039/d0dt02787a","","","0.71073","MoKα","","0.0734","0.0667","","","0.2021","0.208","","","","","","1.126","","","","has coordinates","258854","2020-11-06","12:19:19",""
"7705471","13.6208","0.0003","17.3161","0.0003","18.5812","0.0004","90","","90.983","0.002","90","","4381.9","0.15","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H34 Eu N2 O14.5 -","- C45 H34 Eu N2 O14.5 -","- C180 H136 Eu4 N8 O58 -","4","1","","Arauzo, A.; Gasque, L.; Fuertes, S.; Tenorio, C.; Bernès, S; Bartolomé, E","Coumarin-lanthanide based compounds with SMM behavior and high quantum yield luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13671","13684","10.1039/d0dt02614j","","x-ray","0.56083","AgKα","","0.0739","0.0421","","","0.1095","0.1351","","","","","","1.064","","","","has coordinates,has disorder","258822","2020-11-06","12:10:06",""
"7705472","11.2098","0.0009","12.9725","0.0009","14.1866","0.0009","105.184","0.005","91.711","0.006","99.498","0.006","1957.9","0.3","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C45 H29 N2 O12 Tm -","- C45 H29 N2 O12 Tm -","- C90 H58 N4 O24 Tm2 -","2","1","","Arauzo, A.; Gasque, L.; Fuertes, S.; Tenorio, C.; Bernès, S; Bartolomé, E","Coumarin-lanthanide based compounds with SMM behavior and high quantum yield luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13671","13684","10.1039/d0dt02614j","","x-ray","0.56083","AgKα","","0.0652","0.0385","","","0.0731","0.0802","","","","","","0.865","","","","has coordinates","258822","2020-11-06","12:10:06",""
"7705473","11.6542","0.0003","13.2784","0.0004","18.3379","0.0006","78.449","0.002","76.214","0.002","68.738","0.002","2548.04","0.14","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C58.4 H41.2 Dy N2 O12.7 -","- C58.4 H41.2 Dy N2 O12.7 -","- C116.8 H82.4 Dy2 N4 O25.4 -","2","1","","Arauzo, A.; Gasque, L.; Fuertes, S.; Tenorio, C.; Bernès, S; Bartolomé, E","Coumarin-lanthanide based compounds with SMM behavior and high quantum yield luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13671","13684","10.1039/d0dt02614j","","x-ray","0.56083","AgKα","","0.0636","0.0359","","","0.0755","0.0857","","","","","","0.922","","","","has coordinates","258822","2020-11-06","12:10:06",""
"7705474","11.0672","0.0007","13.0523","0.0008","14.2639","0.0009","104.5","0.005","92.593","0.005","98.423","0.005","1966.1","0.2","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C45 H30 N2 O12.5 Tb -","- C45 H30 N2 O12.5 Tb -","- C90 H60 N4 O25 Tb2 -","2","1","","Arauzo, A.; Gasque, L.; Fuertes, S.; Tenorio, C.; Bernès, S; Bartolomé, E","Coumarin-lanthanide based compounds with SMM behavior and high quantum yield luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13671","13684","10.1039/d0dt02614j","","x-ray","0.56083","AgKα","","0.069","0.0341","","","0.0575","0.0651","","","","","","0.789","","","","has coordinates","258822","2020-11-06","12:10:06",""
"7705475","11.663","0.0004","13.2469","0.0006","18.333","0.0008","78.553","0.003","76.079","0.003","68.68","0.003","2541.72","0.19","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C58.4 H41.2 N2 O12.7 Tb -","- C58.4 H41.2 N2 O12.7 Tb -","- C116.8 H82.4 N4 O25.4 Tb2 -","2","1","","Arauzo, A.; Gasque, L.; Fuertes, S.; Tenorio, C.; Bernès, S; Bartolomé, E","Coumarin-lanthanide based compounds with SMM behavior and high quantum yield luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13671","13684","10.1039/d0dt02614j","","x-ray","0.56083","AgKα","","0.0796","0.0417","","","0.075","0.0824","","","","","","0.795","","","","has coordinates","258822","2020-11-06","12:10:06",""
"7705476","11.7006","0.0004","13.2487","0.0006","18.3375","0.0008","78.623","0.003","76.024","0.003","68.68","0.003","2550.8","0.19","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C58.4 H41.2 Eu N2 O12.7 -","- C58.4 H41.2 Eu N2 O12.7 -","- C116.8 H82.4 Eu2 N4 O25.4 -","2","1","","Arauzo, A.; Gasque, L.; Fuertes, S.; Tenorio, C.; Bernès, S; Bartolomé, E","Coumarin-lanthanide based compounds with SMM behavior and high quantum yield luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13671","13684","10.1039/d0dt02614j","","x-ray","0.56083","AgKα","","0.0529","0.0319","","","0.0742","0.0849","","","","","","1.055","","","","has coordinates","258822","2020-11-06","12:10:06",""
"7705477","11.0739","0.0007","13.0473","0.0008","14.2413","0.0008","104.471","0.004","92.631","0.005","98.45","0.005","1963.4","0.2","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C45 H30 Dy N2 O12.5 -","- C45 H30 Dy N2 O12.5 -","- C90 H60 Dy2 N4 O25 -","2","1","","Arauzo, A.; Gasque, L.; Fuertes, S.; Tenorio, C.; Bernès, S; Bartolomé, E","Coumarin-lanthanide based compounds with SMM behavior and high quantum yield luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13671","13684","10.1039/d0dt02614j","","x-ray","0.56083","AgKα","","0.0588","0.0347","","","0.0679","0.0752","","","","","","0.875","","","","has coordinates","258822","2020-11-06","12:10:06",""
"7705478","11.5992","0.0005","13.3015","0.0006","18.3354","0.0008","78.343","0.004","76.447","0.003","68.722","0.003","2541.2","0.2","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C58.4 H41.2 N2 O12.7 Tm -","- C58.4 H41.2 N2 O12.7 Tm -","- C116.8 H82.4 N4 O25.4 Tm2 -","2","1","","Arauzo, A.; Gasque, L.; Fuertes, S.; Tenorio, C.; Bernès, S; Bartolomé, E","Coumarin-lanthanide based compounds with SMM behavior and high quantum yield luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13671","13684","10.1039/d0dt02614j","","x-ray","0.56083","AgKα","","0.0869","0.0392","","","0.0567","0.0646","","","","","","0.768","","","","has coordinates","258822","2020-11-06","12:10:06",""
"7705479","8.7457","0.0004","6.3938","0.0002","23.9293","0.0009","90","","90","","90","","1338.08","0.09","299.3","0.2","299.3","0.2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H12 O2 S -","- C17 H12 O2 S -","- C68 H48 O8 S4 -","4","1","","Babetto, Luca; Carlotto, Silvia; Carlotto, Alice; Rancan, Marzio; Bottaro, Gregorio; Armelao, Lidia; Casarin, Maurizio","Antenna triplet DFT calculations to drive the design of luminescent Ln<sup>3+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14556","14563","10.1039/d0dt02624g","","","0.71073","MoKα","","0.0357","0.0329","","","0.0876","0.0899","","","","","","1.068","","","","has coordinates","258786","2020-11-06","11:56:53",""
"7705480","9.1371","0.0003","10.1916","0.0003","10.4736","0.0003","78.929","0.003","65.508","0.003","71.717","0.003","840.58","0.05","297.6","0.6","297.6","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C23 H14 O2 S -","- C23 H14 O2 S -","- C46 H28 O4 S2 -","2","1","","Babetto, Luca; Carlotto, Silvia; Carlotto, Alice; Rancan, Marzio; Bottaro, Gregorio; Armelao, Lidia; Casarin, Maurizio","Antenna triplet DFT calculations to drive the design of luminescent Ln<sup>3+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14556","14563","10.1039/d0dt02624g","","x-ray","1.54184","CuKα","","0.0486","0.0433","","","0.1276","0.1344","","","","","","1.062","","","","has coordinates,has disorder","258786","2020-11-06","11:56:53",""
"7705481","6.32131","0.00013","12.7658","0.0003","20.1479","0.0005","90","","90","","90","","1625.87","0.06","297.3","0.5","297.3","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H14 O2 S -","- C21 H14 O2 S -","- C84 H56 O8 S4 -","4","1","","Babetto, Luca; Carlotto, Silvia; Carlotto, Alice; Rancan, Marzio; Bottaro, Gregorio; Armelao, Lidia; Casarin, Maurizio","Antenna triplet DFT calculations to drive the design of luminescent Ln<sup>3+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14556","14563","10.1039/d0dt02624g","","x-ray","1.54184","CuKα","","0.0387","0.0358","","","0.0993","0.1022","","","","","","1.043","","","","has coordinates,has disorder","258786","2020-11-06","11:56:53",""
"7705482","10.8413","0.0006","11.1473","0.0006","15.2059","0.0006","92.185","0.001","93.798","0.001","110.543","0.001","1713.31","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32.5 H42 Cl F6 N4 O1.5 Os Sb -","- C31 H36 Cl F6 N4 Os Sb -","- C62 H72 Cl2 F12 N8 Os2 Sb2 -","2","1","","Parker, Amie; Lamata, Pilar; Viguri, Fernando; Rodríguez, Ricardo; López, José A; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Half-sandwich complexes of osmium containing guanidine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13601","13617","10.1039/d0dt02713h","","","0.71073","MoKα","","0.0358","0.0287","","","0.0599","0.0633","","","","","","1.005","","","","has coordinates,has disorder","258835","2020-11-06","12:13:30",""
"7705483","11.5507","0.0013","11.8469","0.0013","15.5684","0.0017","72.569","0.001","80.229","0.001","82.14","0.002","1994.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H41 F12 N5 Os Sb2 -","- C36 H41 F12 N5 Os Sb2 -","- C72 H82 F24 N10 Os2 Sb4 -","2","1","","Parker, Amie; Lamata, Pilar; Viguri, Fernando; Rodríguez, Ricardo; López, José A; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Half-sandwich complexes of osmium containing guanidine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13601","13617","10.1039/d0dt02713h","","","0.71073","MoKα","","0.106","0.0608","","","0.1153","0.1352","","","","","","1.03","","","","has coordinates","258835","2020-11-06","12:13:31",""
"7705484","24.6016","0.0011","10.2764","0.0005","16.4397","0.0008","90","","90","","90","","4156.2","0.3","120","2","120","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C40 H45 Cl2 F6 N3 Os P Sb -","- C39 H43 F6 N3 Os P Sb -","- C156 H172 F24 N12 Os4 P4 Sb4 -","4","1","","Parker, Amie; Lamata, Pilar; Viguri, Fernando; Rodríguez, Ricardo; López, José A; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Half-sandwich complexes of osmium containing guanidine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13601","13617","10.1039/d0dt02713h","","","0.71073","MoKα","","0.0257","0.0232","","","0.0557","0.0572","","","","","","1.029","","","","has coordinates","258835","2020-11-06","12:13:31",""
"7705485","11.0006","0.0006","17.8189","0.0009","26.0251","0.0013","99.165","0.001","100.607","0.001","97.564","0.001","4881.7","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H115 Cl8 F12 N6 Os2 P2 Sb2 -","- C89 H115 Cl8 F12 N6 Os2 P2 Sb2 -","- C178 H230 Cl16 F24 N12 Os4 P4 Sb4 -","2","1","","Parker, Amie; Lamata, Pilar; Viguri, Fernando; Rodríguez, Ricardo; López, José A; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Half-sandwich complexes of osmium containing guanidine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13601","13617","10.1039/d0dt02713h","","","0.71073","MoKα","","0.0511","0.0363","","","0.0899","0.0989","","","","","","1.024","","","","has coordinates,has disorder","258835","2020-11-06","12:13:31",""
"7705486","8.709","0.008","15.2562","0.0014","17.6428","0.0016","110.159","0.001","92.305","0.001","98.748","0.001","2164","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H42 Cl4 F12 N4 O Os Sb2 -","- C33 H42 Cl4 F12 N4 O Os Sb2 -","- C66 H84 Cl8 F24 N8 O2 Os2 Sb4 -","2","1","","Parker, Amie; Lamata, Pilar; Viguri, Fernando; Rodríguez, Ricardo; López, José A; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Half-sandwich complexes of osmium containing guanidine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13601","13617","10.1039/d0dt02713h","","","0.71073","MoKα","","0.1011","0.0636","","","0.1225","0.1383","","","","","","1.082","","","","has coordinates,has disorder","258835","2020-11-06","12:13:31",""
"7705487","10.9424","0.0004","13.4216","0.0005","25.9506","0.001","90","","90","","90","","3811.2","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C39 H44 Cl F6 N3 Os P Sb -","- C39 H44 Cl F6 N3 Os P Sb -","- C156 H176 Cl4 F24 N12 Os4 P4 Sb4 -","4","1","","Parker, Amie; Lamata, Pilar; Viguri, Fernando; Rodríguez, Ricardo; López, José A; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Half-sandwich complexes of osmium containing guanidine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13601","13617","10.1039/d0dt02713h","","","0.71073","MoKα","","0.0179","0.0175","","","0.0409","0.0411","","","","","","1.098","","","","has coordinates","258835","2020-11-06","12:13:32",""
"7705488","16.9772","0.0009","17.1277","0.0009","17.528","0.0009","84.738","0.001","66.434","0.001","67.571","0.001","4307.2","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C33.75 H39.5 Cl3.5 F12 N4 O Os Sb2 -","- C33.75 H39.5 Cl3.5 F12 N4 O Os Sb2 -","- C135 H158 Cl14 F48 N16 O4 Os4 Sb8 -","4","2","","Parker, Amie; Lamata, Pilar; Viguri, Fernando; Rodríguez, Ricardo; López, José A; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Half-sandwich complexes of osmium containing guanidine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13601","13617","10.1039/d0dt02713h","","","0.71073","MoKα","","0.0957","0.069","","","0.1818","0.2048","","","","","","1.04","","","","has coordinates","258835","2020-11-06","12:13:32",""
"7705489","11.9061","0.0006","14.6917","0.0007","13.867","0.0006","90","","95.546","0.002","90","","2414.3","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Al N O10 -","- C6 H14 Al N O10 -","- C48 H112 Al8 N8 O80 -","8","2","","Hacaperková, Eliška; Jaroš, Adam; Kotek, Jan; Notni, Johannes; Straka, Michal; Kubíček, Vojtěch; Hermann, Petr","Al(III)-NTA-fluoride: a simple model system for Al-F binding with interesting thermodynamics.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13726","13736","10.1039/d0dt02644a","","","1.54178","CuKα","","0.0351","0.0307","","","0.0797","0.0823","","","","","","1.072","","","","has coordinates","258817","2020-11-06","12:08:06",""
"7705490","19.5375","0.0006","9.0967","0.0002","13.0715","0.0005","90","","117.141","0.0012","90","","2067.34","0.11","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 Cd O8 -","- C9 H8 Cd O8 -","- C72 H64 Cd8 O64 -","8","1","","Ahamad, M. Naqi; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer","Metal organic frameworks decorated with free carboxylic acid groups: topology, metal capture and dye adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14690","14705","10.1039/d0dt02949a","","","0.71073","MoKα","","0.0199","0.019","","","0.0489","0.0496","","","","","","1.0616","","","","has coordinates","258792","2020-11-06","11:58:35",""
"7705491","10.6268","0.0006","11.0196","0.0006","22.5383","0.0013","90","","101.724","0.003","90","","2584.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 Cu N2 O12 -","- C28 H18 Cu N2 O12 -","- C112 H72 Cu4 N8 O48 -","4","0.5","","Ahamad, M. Naqi; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer","Metal organic frameworks decorated with free carboxylic acid groups: topology, metal capture and dye adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14690","14705","10.1039/d0dt02949a","","","0.71073","MoKα","","0.0473","0.0348","","","0.0771","0.0881","","","","","","1.0865","","","","has coordinates","258792","2020-11-06","11:58:35",""
"7705492","22.4402","0.001","20.0572","0.001","19.5627","0.0009","90","","99.092","0.002","90","","8694.3","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 N6 Ni2 O14 -","- C48 H36 N6 Ni2 O14 -","- C384 H288 N48 Ni16 O112 -","8","1","","Ahamad, M. Naqi; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer","Metal organic frameworks decorated with free carboxylic acid groups: topology, metal capture and dye adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14690","14705","10.1039/d0dt02949a","","","0.71073","MoKα","","0.0835","0.0509","","","0.1284","0.1729","","","","","","1.1805","","","","has coordinates","258792","2020-11-06","11:58:35",""
"7705493","15.1205","0.0006","10.7089","0.0007","15.3715","0.001","90","","95.057","0.004","90","","2479.3","0.2","155","40","155","40","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H41 Eu2 N4 O23 -","- C47 H41 Eu2 N4 O23 -","- C94 H82 Eu4 N8 O46 -","2","0.5","","Zhou, Shu-Fang; Hao, Biao-Biao; Lin, Tian; Zhang, Chen-Xi; Wang, Qing-Lun","A dual-functional MOF for high proton conduction and sensitive detection of ascorbic acid.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14490","14496","10.1039/d0dt02834g","","","0.71073","MoKα","","0.0904","0.0648","","","0.1539","0.1848","","","","","","1.098","","","","has coordinates","258790","2020-11-06","11:57:44",""
"7705494","6.8276","0.0015","8.1623","0.0012","10.464","0.002","90.864","0.015","99.515","0.017","93.963","0.016","573.54","0.19","280","0.1","280","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Cl2 Cu N4 O12 -","- C16 H22 Cl2 Cu N4 O12 -","- C16 H22 Cl2 Cu N4 O12 -","1","0.5","","Kirkman-Davis, Emma; Witkos, Faith E.; Selmani, Veli; Monroe, Jeffrey C.; Landee, Christopher P.; Turnbull, Mark M.; Dawe, Louise N.; Polson, Matthew I. J.; Wikaira, Jan L.","Pyrazine-bridged Cu(ii) chains: diaquabis(n-methyl-2-pyridone)copper(ii) perchlorate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13693","13703","10.1039/d0dt02716b","","x-ray","0.71073","MoKα","","0.0866","0.064","","","0.1596","0.1707","","","","","","0.968","","","","has coordinates,has disorder","258819","2020-11-06","12:09:21",""
"7705495","23.016","0.011","6.822","0.003","7.656","0.004","90","","90.189","0.008","90","","1202.1","1","153","2","153","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","catena-diaqua-bis(6-methyl-2-pyridone)(u/-pyrazine)copper(II) perchlorate","","- C16 H22 Cl2 Cu N4 O12 -","- C16 H22 Cl2 Cu N4 O12 -","- C32 H44 Cl4 Cu2 N8 O24 -","2","0.25","","Kirkman-Davis, Emma; Witkos, Faith E.; Selmani, Veli; Monroe, Jeffrey C.; Landee, Christopher P.; Turnbull, Mark M.; Dawe, Louise N.; Polson, Matthew I. J.; Wikaira, Jan L.","Pyrazine-bridged Cu(ii) chains: diaquabis(n-methyl-2-pyridone)copper(ii) perchlorate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13693","13703","10.1039/d0dt02716b","","","0.71073","MoKα","","0.0382","0.038","","","0.1074","0.1076","","","","","","1.123","","","","has coordinates,has disorder","258819","2020-11-06","12:09:25",""
"7705496","23.0309","0.0019","6.8184","0.0005","7.7006","0.0015","90","","90.399","0.011","90","","1209.2","0.3","280","0.2","280","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H22 Cl2 Cu N4 O12 -","- C16 H22 Cl2 Cu N4 O12 -","- C32 H44 Cl4 Cu2 N8 O24 -","2","0.25","","Kirkman-Davis, Emma; Witkos, Faith E.; Selmani, Veli; Monroe, Jeffrey C.; Landee, Christopher P.; Turnbull, Mark M.; Dawe, Louise N.; Polson, Matthew I. J.; Wikaira, Jan L.","Pyrazine-bridged Cu(ii) chains: diaquabis(n-methyl-2-pyridone)copper(ii) perchlorate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13693","13703","10.1039/d0dt02716b","","","1.54184","CuKα","","0.045","0.0398","","","0.1089","0.1174","","","","","","1.071","","","","has coordinates,has disorder","258819","2020-11-06","12:09:26",""
"7705497","15.0161","0.0002","6.8647","0.0001","22.3242","0.0003","90","","93.368","0.001","90","","2297.23","0.05","219.97","0.16","219.97","0.16","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-diaquabis(5-methyl-2-pyridone)pyrazinecopper(II) perchlorate","","- C16 H22 Cl2 Cu N4 O12 -","- C16 H22 Cl2 Cu N4 O12 -","- C64 H88 Cl8 Cu4 N16 O48 -","4","0.5","","Kirkman-Davis, Emma; Witkos, Faith E.; Selmani, Veli; Monroe, Jeffrey C.; Landee, Christopher P.; Turnbull, Mark M.; Dawe, Louise N.; Polson, Matthew I. J.; Wikaira, Jan L.","Pyrazine-bridged Cu(ii) chains: diaquabis(n-methyl-2-pyridone)copper(ii) perchlorate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13693","13703","10.1039/d0dt02716b","","","1.54184","CuKα","","0.0293","0.0283","","","0.0741","0.0749","","","","","","1.122","","","","has coordinates","258819","2020-11-06","12:09:26",""
"7705498","6.8463","0.0003","8.0507","0.0005","11.6595","0.0006","79.958","0.005","73.894","0.004","66.235","0.005","563.63","0.06","120.01","0.16","120.01","0.16","","","","","","","","6","P -1","-P 1","2","","catena-diaquabis(5-methyl-2-pyridone)pyrazinecopper(II) perchlorate","","- C16 H22 Cl2 Cu N4 O12 -","- C16 H22 Cl2 Cu N4 O12 -","- C16 H22 Cl2 Cu N4 O12 -","1","0.5","","Kirkman-Davis, Emma; Witkos, Faith E.; Selmani, Veli; Monroe, Jeffrey C.; Landee, Christopher P.; Turnbull, Mark M.; Dawe, Louise N.; Polson, Matthew I. J.; Wikaira, Jan L.","Pyrazine-bridged Cu(ii) chains: diaquabis(n-methyl-2-pyridone)copper(ii) perchlorate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13693","13703","10.1039/d0dt02716b","","","1.54184","CuKα","","0.0586","0.0582","","","0.1677","0.1679","","","","","","1.254","","","","has coordinates","258819","2020-11-06","12:09:26",""
"7705499","6.8314","0.0006","8.1609","0.0009","10.4545","0.001","90.984","0.008","99.5","0.007","93.911","0.008","573.27","0.1","280","0.1","280","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Cl2 Cu N4 O12 -","- C16 H22 Cl2 Cu N4 O12 -","- C16 H22 Cl2 Cu N4 O12 -","1","0.5","","Kirkman-Davis, Emma; Witkos, Faith E.; Selmani, Veli; Monroe, Jeffrey C.; Landee, Christopher P.; Turnbull, Mark M.; Dawe, Louise N.; Polson, Matthew I. J.; Wikaira, Jan L.","Pyrazine-bridged Cu(ii) chains: diaquabis(n-methyl-2-pyridone)copper(ii) perchlorate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13693","13703","10.1039/d0dt02716b","","x-ray","0.71073","MoKα","","0.0973","0.0792","","","0.206","0.2306","","","","","","1.069","","","","has coordinates,has disorder","258819","2020-11-06","12:09:26",""
"7705500","7.4929","0.0002","11.727","0.0003","16.9268","0.0005","90","","90","","90","","1487.35","0.07","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H4 S3 Se -","- C5 H4 S3 Se -","- C40 H32 S24 Se8 -","8","1","","Velho, Mariana F. G.; Silva, Rafaela A. L.; Brotas, Graça; Lopes, Elsa B.; Santos, Isabel C.; Charas, Ana; Belo, Dulce; Almeida, Manuel","Conducting neutral gold bisdithiolene complex [Au(dspdt)<sub>2</sub>]˙.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13737","13743","10.1039/d0dt02931a","","","0.71073","MoKα","","0.0214","0.0184","","","0.0449","0.0458","","","","","","1.054","","","","has coordinates","258821","2020-11-06","12:09:48",""
"7705501","9.4015","0.0003","17.8349","0.0005","17.9831","0.0005","90","","98.102","0.002","90","","2985.22","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 Au N S4 Se2 -","- C24 H44 Au N S4 Se2 -","- C96 H176 Au4 N4 S16 Se8 -","4","1","","Velho, Mariana F. G.; Silva, Rafaela A. L.; Brotas, Graça; Lopes, Elsa B.; Santos, Isabel C.; Charas, Ana; Belo, Dulce; Almeida, Manuel","Conducting neutral gold bisdithiolene complex [Au(dspdt)<sub>2</sub>]˙.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13737","13743","10.1039/d0dt02931a","","","0.71073","MoKα","","0.0585","0.0343","","","0.0586","0.0621","","","","","","1.037","","","","has coordinates,has disorder","258821","2020-11-06","12:09:48",""
"7705502","40.797","0.0014","6.46","0.0002","29.1807","0.0009","90","","125.885","0.001","90","","6230.8","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 Au5 S20 Se10 -","- C40 H40 Au5 S20 Se10 -","- C160 H160 Au20 S80 Se40 -","4","0.5","","Velho, Mariana F. G.; Silva, Rafaela A. L.; Brotas, Graça; Lopes, Elsa B.; Santos, Isabel C.; Charas, Ana; Belo, Dulce; Almeida, Manuel","Conducting neutral gold bisdithiolene complex [Au(dspdt)<sub>2</sub>]˙.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13737","13743","10.1039/d0dt02931a","","","0.71073","MoKα","","0.1136","0.0522","","","0.0804","0.0914","","","","","","0.969","","","","has coordinates,has disorder","258821","2020-11-06","12:09:48",""
"7705503","10.6678","0.0001","11.6671","0.0001","19.4498","0.0002","82.422","0.001","77.196","0.001","88.771","0.001","2339.88","0.04","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H82 F24 Lu2 N12 O5 -","- C98 H82 F24 Lu2 N12 O5 -","- C98 H82 F24 Lu2 N12 O5 -","1","0.5","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","MoKα","","0.028","0.0241","","","0.0559","0.0574","","","","","","1.057","","","","has coordinates,has disorder","258818","2020-11-06","12:08:59",""
"7705504","11.166","0.002","13.357","0.003","13.945","0.003","90","","96.1","0.03","90","","2068","0.8","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C43 H32 F8 Gd I N6 -","- C43 H32 F8 Gd I N6 -","- C86 H64 F16 Gd2 I2 N12 -","2","0.5","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0313","0.0294","","","0.0749","0.076","","","","","","1.113","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705505","12.763","0.003","15.85","0.003","19.836","0.004","90","","99.86","0.03","90","","3953.4","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H29 F12 Ho N6 O -","- C43 H29 F12 Ho N6 O -","- C172 H116 F48 Ho4 N24 O4 -","4","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0782","0.0464","","","0.1026","0.1165","","","","","","0.996","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705506","8.816","0.0018","17.452","0.004","12.068","0.002","90","","100.2","0.03","90","","1827.4","0.7","100","2","100","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C38 H38 Ag2 F8 N4 O3 -","- C38 H38 Ag2 F8 N4 O3 -","- C76 H76 Ag4 F16 N8 O6 -","2","0.25","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0284","0.0282","","","0.0689","0.069","","","","","","1.055","","","","has coordinates,has disorder","258818","2020-11-06","12:09:00",""
"7705507","12.25","0.003","15.84","0.003","17.389","0.004","90","","100.37","0.03","90","","3319","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H90 N8 O4 Yb2 -","- C70 H90 N8 O4 Yb2 -","- C140 H180 N16 O8 Yb4 -","2","0.5","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0579","0.0441","","","0.1085","0.1141","","","","","","1.057","","","","has coordinates,has disorder","258818","2020-11-06","12:09:00",""
"7705508","12.807","0.003","15.953","0.003","19.959","0.004","90","","100.06","0.03","90","","4015.1","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H29 Dy F12 N6 O -","- C43 H29 Dy F12 N6 O -","- C172 H116 Dy4 F48 N24 O4 -","4","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0407","0.0329","","","0.0826","0.0866","","","","","","1.043","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705509","11.232","0.002","13.487","0.003","13.952","0.003","90","","96.14","0.03","90","","2101.4","0.8","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C43 H32 F8 I N6 Tb -","- C43 H32 F8 I N6 Tb -","- C86 H64 F16 I2 N12 Tb2 -","2","0.5","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0507","0.0506","","","0.1249","0.125","","","","","","1.1","","","","has coordinates,has disorder","258818","2020-11-06","12:09:00",""
"7705510","11.2093","0.0001","11.5339","0.0001","20.2881","0.0002","90.183","0.001","103.137","0.001","92.01","0.001","2552.6","0.04","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H42 F12 N7 Tb -","- C58 H42 F12 N7 Tb -","- C116 H84 F24 N14 Tb2 -","2","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","MoKα","","0.0434","0.0399","","","0.0992","0.1012","","","","","","1.02","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705511","15.0846","0.0002","17.6395","0.0003","19.6763","0.0003","90","","90","","90","","5235.56","0.14","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C55 H53 F12 N6 O4 Sm -","- C55 H53 F12 N6 O4 Sm -","- C220 H212 F48 N24 O16 Sm4 -","4","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","MoKα","","0.0341","0.0291","","","0.0678","0.0704","","","","","","1.035","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705512","26.332","0.005","20.789","0.004","17.983","0.004","90","","124.3","0.03","90","","8132","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H78 F16 I2 N10 O5 Tm2 -","- C82 H78 F16 I2 N10 O5 Tm2 -","- C328 H312 F64 I8 N40 O20 Tm8 -","4","0.5","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0701","0.059","","","0.1485","0.1615","","","","","","1.072","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705513","10.075","0.002","11.999","0.002","20.207","0.004","84.61","0.03","82.9","0.03","66.73","0.03","2224.2","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H37 F12 N6 O2 Yb -","- C47 H37 F12 N6 O2 Yb -","- C94 H74 F24 N12 O4 Yb2 -","2","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0439","0.0429","","","0.1138","0.1148","","","","","","1.079","","","","has coordinates,has disorder","258818","2020-11-06","12:09:00",""
"7705514","14.4237","0.001","16.3753","0.0012","19.3779","0.0014","69.357","0.002","85.193","0.003","69.548","0.002","4009","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C176 H124 Er4 F48 N24 O5 -","- C176 H124 Er4 F48 N24 O5 -","- C176 H124 Er4 F48 N24 O5 -","1","0.5","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","MoKα","","0.0607","0.0439","","","0.1049","0.1208","","","","","","1.046","","","","has coordinates,has disorder","258818","2020-11-06","12:09:00",""
"7705515","12.7928","0.0003","15.9417","0.0003","19.855","0.0004","90","","99.849","0.002","90","","3989.53","0.15","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H29 F12 N6 O Tm -","- C43 H29 F12 N6 O Tm -","- C172 H116 F48 N24 O4 Tm4 -","4","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","MoKα","","0.0449","0.0362","","","0.0902","0.0969","","","","","","1.033","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705516","11.51","0.002","12.02","0.002","16.94","0.003","92.65","0.03","96.67","0.03","107.52","0.03","2211.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H34 Er F12 N7 O -","- C48 H34 Er F12 N7 O -","- C96 H68 Er2 F24 N14 O2 -","2","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0268","0.0242","","","0.0622","0.0633","","","","","","1.102","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705517","26.598","0.005","20.753","0.004","17.735","0.004","90","","123.82","0.03","90","","8133","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H78 F16 I2 Lu2 N10 O5 -","- C82 H78 F16 I2 Lu2 N10 O5 -","- C328 H312 F64 I8 Lu8 N40 O20 -","4","0.5","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0362","0.0326","","","0.0796","0.0816","","","","","","1.08","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705518","26.488","0.005","20.872","0.004","17.977","0.004","90","","124.22","0.03","90","","8218","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H78 Er2 F16 I2 N10 O5 -","- C82 H78 Er2 F16 I2 N10 O5 -","- C328 H312 Er8 F64 I8 N40 O20 -","4","0.5","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0816","0.0778","","","0.228","0.2335","","","","","","1.094","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705519","10.5982","0.0002","22.8059","0.0004","22.1814","0.0004","90","","95.019","0.002","90","","5340.72","0.17","122.99","0.1","122.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H86 F N4 Nd O2 -","- C58 H86 F N4 Nd O2 -","- C232 H344 F4 N16 Nd4 O8 -","4","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","x-ray","0.71073","MoKα","","0.0496","0.0345","","","0.0774","0.083","","","","","","1.032","","","","has coordinates,has disorder","258818","2020-11-06","12:09:00",""
"7705520","13.58","0.003","18.1","0.004","22.51","0.005","85.52","0.03","75.4","0.03","69.6","0.03","5018","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 F12 N6 Nd O3 -","- C51 H45 F12 N6 Nd O3 -","- C204 H180 F48 N24 Nd4 O12 -","4","2","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0881","0.0557","","","0.1423","0.1612","","","","","","1.025","","","","has coordinates,has disorder","258818","2020-11-06","12:09:00",""
"7705521","20.47","0.004","12.133","0.002","21.508","0.004","90","","110.27","0.03","90","","5011","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H78 Er F N4 O -","- C54 H78 Er F N4 O -","- C216 H312 Er4 F4 N16 O4 -","4","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0294","0.0268","","","0.0677","0.0696","","","","","","1.054","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705522","13.51","0.003","18.03","0.004","22.57","0.005","85.87","0.03","75.52","0.03","69.45","0.03","4984","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 F12 N6 O3 Tb -","- C51 H45 F12 N6 O3 Tb -","- C204 H180 F48 N24 O12 Tb4 -","4","2","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0581","0.0423","","","0.1107","0.1189","","","","","","1.054","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705523","13.55","0.003","18.07","0.004","22.5","0.005","85.81","0.03","75.52","0.03","69.65","0.03","5001","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 F12 Gd N6 O3 -","- C51 H45 F12 Gd N6 O3 -","- C204 H180 F48 Gd4 N24 O12 -","4","2","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","Synchrotron","","0.0679","0.0462","","","0.118","0.1301","","","","","","1.042","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705524","10.7555","0.0003","11.7896","0.0003","15.2935","0.0005","90","","108.304","0.002","90","","1841.14","0.09","295","2","295","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Cl2 Cu F N3 O S -","- C16 H13 Cl2 Cu F N3 O S -","- C64 H52 Cl8 Cu4 F4 N12 O4 S4 -","4","1","","Guk, Dmitry; Naumov, Alexei; Krasnovskaya, Olga; Tafeenko, Viktor; Moiseeeva, Anna; Pergushov, Vladimir; Melnikov, Michail; Zyk, Nikolai; Majouga, Alexander; Belolglazkina, Elena","Three types of copper derivatives formed by CuCl<sub>2</sub>·2H<sub>2</sub>O interaction with (<i>Z</i>)-3-aryl-2-(methylthio)-5-(pyridine-2-ylmethylene)-3,5-dihydro-4<i>H</i>-imidazol-4-ones.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14528","14535","10.1039/d0dt02817g","","","1.54186","CuKα","","0.0711","0.0378","","","0.0979","0.1078","","","","","","0.921","","","","has coordinates","258783","2020-11-06","11:56:07",""
"7705525","28.4118","0.0008","9.2731","0.0003","13.7925","0.0005","90","","111.241","0.001","90","","3386.98","0.19","295","2","295","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cl Cu F N3 O S -","- C16 H12 Cl Cu F N3 O S -","- C128 H96 Cl8 Cu8 F8 N24 O8 S8 -","8","1","","Guk, Dmitry; Naumov, Alexei; Krasnovskaya, Olga; Tafeenko, Viktor; Moiseeeva, Anna; Pergushov, Vladimir; Melnikov, Michail; Zyk, Nikolai; Majouga, Alexander; Belolglazkina, Elena","Three types of copper derivatives formed by CuCl<sub>2</sub>·2H<sub>2</sub>O interaction with (<i>Z</i>)-3-aryl-2-(methylthio)-5-(pyridine-2-ylmethylene)-3,5-dihydro-4<i>H</i>-imidazol-4-ones.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14528","14535","10.1039/d0dt02817g","","","1.54186","CuKα","","0.0838","0.0542","","","0.1193","0.146","","","","","","0.99","","","","has coordinates","258783","2020-11-06","11:56:09",""
"7705526","10.559","0.0006","11.5979","0.0007","15.9749","0.0012","90","","72.947","0.006","90","","1870.3","0.2","295","2","295","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl2 Cu F N3 O S -","- C16 H13 Cl2 Cu F N3 O S -","- C64 H52 Cl8 Cu4 F4 N12 O4 S4 -","4","1","","Guk, Dmitry; Naumov, Alexei; Krasnovskaya, Olga; Tafeenko, Viktor; Moiseeeva, Anna; Pergushov, Vladimir; Melnikov, Michail; Zyk, Nikolai; Majouga, Alexander; Belolglazkina, Elena","Three types of copper derivatives formed by CuCl<sub>2</sub>·2H<sub>2</sub>O interaction with (<i>Z</i>)-3-aryl-2-(methylthio)-5-(pyridine-2-ylmethylene)-3,5-dihydro-4<i>H</i>-imidazol-4-ones.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14528","14535","10.1039/d0dt02817g","","","1.54186","CuKα","","0.128","0.0549","","","0.1362","0.1586","","","","","","0.822","","","","has coordinates,has disorder","258783","2020-11-06","11:56:09",""
"7705527","46.817","0.001","20.7265","0.0005","7.2786","0.0001","90","","90","","90","","7062.8","0.2","295","2","295","","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C16 H12 Cl2 Cu F N3 O S -","- C16 H12 Cl2 Cu F N3 O S -","- C256 H192 Cl32 Cu16 F16 N48 O16 S16 -","16","1","","Guk, Dmitry; Naumov, Alexei; Krasnovskaya, Olga; Tafeenko, Viktor; Moiseeeva, Anna; Pergushov, Vladimir; Melnikov, Michail; Zyk, Nikolai; Majouga, Alexander; Belolglazkina, Elena","Three types of copper derivatives formed by CuCl<sub>2</sub>·2H<sub>2</sub>O interaction with (<i>Z</i>)-3-aryl-2-(methylthio)-5-(pyridine-2-ylmethylene)-3,5-dihydro-4<i>H</i>-imidazol-4-ones.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14528","14535","10.1039/d0dt02817g","","","1.54186","CuKα","","0.0711","0.0397","","","0.0794","0.0877","","","","","","0.903","","","","has coordinates","258783","2020-11-06","11:56:09",""
"7705528","7.287","0.002","22.731","0.007","11.092","0.003","90","","108.638","0.006","90","","1740.9","0.9","120","","120","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl2 Cu F N3 O S -","- C16 H12 Cl2 Cu F N3 O S -","- C64 H48 Cl8 Cu4 F4 N12 O4 S4 -","4","1","","Guk, Dmitry; Naumov, Alexei; Krasnovskaya, Olga; Tafeenko, Viktor; Moiseeeva, Anna; Pergushov, Vladimir; Melnikov, Michail; Zyk, Nikolai; Majouga, Alexander; Belolglazkina, Elena","Three types of copper derivatives formed by CuCl<sub>2</sub>·2H<sub>2</sub>O interaction with (<i>Z</i>)-3-aryl-2-(methylthio)-5-(pyridine-2-ylmethylene)-3,5-dihydro-4<i>H</i>-imidazol-4-ones.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14528","14535","10.1039/d0dt02817g","","","0.71073","MoKα","","0.0834","0.06","","","0.1285","0.1443","","","","","","1.0291","","","","has coordinates,has disorder","258783","2020-11-06","11:56:09",""
"7705529","13.1191","0.0002","23.2974","0.0005","18.4253","0.0003","90","","94.8117","0.0004","90","","5611.68","0.17","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C55 H62 N3 O P2 S3 Si3 V -","- C55 H62 N3 O P2 S3 Si3 V -","- C220 H248 N12 O4 P8 S12 Si12 V4 -","4","1","","Pan, Hung-Ruei; Wu, Zong-Han; Kuo, Chin-Ting; Ou, Han-Jang; Lee, Gene-Hsiang; Hsu, Hua-Fen","The dual roles of a V(III) centre for substrate binding and oxygen atom abstraction; nitrite reduction mediated by a V(III) complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14393","14396","10.1039/d0dt03274c","","","0.71073","MoKα","","0.0471","0.0357","","","0.0842","0.0913","","","","","","1.033","","","","has coordinates","258799","2020-11-06","11:59:59",""
"7705530","19.3223","0.0007","4.6693","0.0001","17.6807","0.0006","90","","112.336","0.004","90","","1475.5","0.09","93","2","93","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C10 H7 N2 Ni0.5 -","- C10 H7 N2 Ni0.5 -","- C80 H56 N16 Ni4 -","8","1","","Ukai, Shusaku; Koo, Yun Hee; Fukui, Norihito; Seki, Shu; Shinokubo, Hiroshi","Synthesis and electron-transport properties of a stable antiaromatic Ni<sup>II</sup> norcorrole with the smallest <i>meso</i>-substituent.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14383","14387","10.1039/d0dt03143g","","","0.71073","MoKα","","0.0486","0.045","","","0.1222","0.1253","","","","","","1.076","","","","has coordinates","258795","2020-11-06","11:59:11",""
"7705531","47.9882","0.0019","47.9882","0.0019","13.3456","0.001","90","","90","","120","","26616","2","296","2","296.15","","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C35 H27 Eu N3 O16 Zn -","- C29 H11 Eu N O13 Zn -","- C522 H198 Eu18 N18 O234 Zn18 -","18","0.5","","Lv, Hongxiao; Chen, Hongtai; Fan, Liming; Zhang, Xiutang","Heterometallic {ZnEu}-metal-organic framework for efficient chemical fixation of CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14656","14664","10.1039/d0dt02730h","","","0.71073","MoKα","","0.0544","0.0469","","","0.1116","0.1159","","","","","","1.093","","","","has coordinates,has disorder","258793","2020-11-06","11:58:47",""
"7705532","10.3019","0.0006","11.4706","0.0007","11.941","0.0007","92.148","0.002","103.691","0.002","107.901","0.002","1295.29","0.13","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 B F15 O2 -","- C24 H10 B F15 O2 -","- C48 H20 B2 F30 O4 -","2","1","","Udomsasporn, Kwanchanok; Haesuwannakij, Setsiri; Piromjitpong, Parichat; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Comparative bindings of lactones, lactide, and cyclic carbonates: experimental insights into the coordination step of polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14378","14382","10.1039/d0dt03323e","","x-ray","0.71073","MoKα","K-L~3~","0.0455","0.0381","","","0.1046","0.1097","","","","","","1.032","","","","has coordinates","258781","2020-11-06","11:55:28",""
"7705533","29.422","0.004","10.4028","0.0013","15.1204","0.0019","90","","107.219","0.004","90","","4420.5","1","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H8 B F15 O2 -","- C23 H8 B F15 O2 -","- C184 H64 B8 F120 O16 -","8","1","","Udomsasporn, Kwanchanok; Haesuwannakij, Setsiri; Piromjitpong, Parichat; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Comparative bindings of lactones, lactide, and cyclic carbonates: experimental insights into the coordination step of polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14378","14382","10.1039/d0dt03323e","","","0.71073","MoKα","","0.038","0.0323","","","0.0777","0.081","","","","","","1.083","","","","has coordinates","258781","2020-11-06","11:55:30",""
"7705534","10.3038","0.0006","12.6157","0.0008","17.6372","0.0012","96.426","0.003","92.793","0.003","103.676","0.002","2206.9","0.2","127","","127","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H6 B F15 O3 -","- C22 H6 B F15 O3 -","- C88 H24 B4 F60 O12 -","4","2","","Udomsasporn, Kwanchanok; Haesuwannakij, Setsiri; Piromjitpong, Parichat; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Comparative bindings of lactones, lactide, and cyclic carbonates: experimental insights into the coordination step of polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14378","14382","10.1039/d0dt03323e","","x-ray","0.71073","MoKα","K-L~3~","0.064","0.0444","","","0.0998","0.1076","","","","","","1.087","","","","has coordinates,has disorder","258781","2020-11-06","11:55:30",""
"7705535","14.9675","0.0008","13.4729","0.0007","20.689","0.001","90","","90","","90","","4172.1","0.4","124","2","124","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H4 B F15 O3 -","- C21 H4 B F15 O3 -","- C168 H32 B8 F120 O24 -","8","2","","Udomsasporn, Kwanchanok; Haesuwannakij, Setsiri; Piromjitpong, Parichat; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Comparative bindings of lactones, lactide, and cyclic carbonates: experimental insights into the coordination step of polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14378","14382","10.1039/d0dt03323e","","","0.71073","MoKα","","0.0502","0.0357","","","0.0724","0.0774","","","","","","1.043","","","","has coordinates","295543","2024-10-18","15:17:10",""
"7705536","11.5139","0.0008","9.2262","0.0006","19.1731","0.0013","90","","90.084","0.003","90","","2036.7","0.2","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H6 B F15 O -","- C21 H6 B F15 O -","- C84 H24 B4 F60 O4 -","4","1","","Udomsasporn, Kwanchanok; Haesuwannakij, Setsiri; Piromjitpong, Parichat; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Comparative bindings of lactones, lactide, and cyclic carbonates: experimental insights into the coordination step of polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14378","14382","10.1039/d0dt03323e","","","0.71073","MoKα","","0.0861","0.0541","","","0.131","0.1495","","","","","","1.021","","","","has coordinates","258781","2020-11-06","11:55:30",""
"7705537","14.448","0.0008","14.6266","0.0009","18.8637","0.0013","90","","90","","90","","3986.4","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H8 B2 F30 O4 -","- C42 H8 B2 F30 O4 -","- C168 H32 B8 F120 O16 -","4","1","","Udomsasporn, Kwanchanok; Haesuwannakij, Setsiri; Piromjitpong, Parichat; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Comparative bindings of lactones, lactide, and cyclic carbonates: experimental insights into the coordination step of polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14378","14382","10.1039/d0dt03323e","","x-ray","0.71073","MoKα","","0.0503","0.0417","","","0.0999","0.1044","","","","","","1.021","","","","has coordinates","258781","2020-11-06","11:55:30",""
"7705538","14.8191","0.0009","13.943","0.001","20.8344","0.0015","90","","90","","90","","4304.9","0.5","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H6 B F15 O2 -","- C22 H6 B F15 O2 -","- C176 H48 B8 F120 O16 -","8","2","","Udomsasporn, Kwanchanok; Haesuwannakij, Setsiri; Piromjitpong, Parichat; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Comparative bindings of lactones, lactide, and cyclic carbonates: experimental insights into the coordination step of polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14378","14382","10.1039/d0dt03323e","","x-ray","0.71073","MoKα","","0.0529","0.0466","","","0.1146","0.1182","","","","","","1.05","","","","has coordinates","258781","2020-11-06","11:55:30",""
"7705539","10.9695","0.0013","12.706","0.002","14.559","0.002","111.713","0.01","95.023","0.008","113.158","0.006","1667.6","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H114 Mn4 N4 O16 -","- C56 H114 Mn4 N4 O16 -","- C56 H114 Mn4 N4 O16 -","1","0.5","","Reis Conceição, Nuno; Nesterova, Oksana V.; Rajnák, Cyril; Boča, Roman; Pombeiro, Armando J. L.; Guedes da Silva, M Fátima C; Nesterov, Dmytro S.","New members of the polynuclear manganese family: MnMn single-molecule magnets and MnMn antiferromagnetic complexes. Synthesis and magnetostructural correlations.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13970","13985","10.1039/d0dt02652b","","","0.71073","MoKα","","0.0832","0.0472","","","0.1013","0.1154","","","","","","1.011","","","","has coordinates,has disorder","258841","2020-11-06","12:16:23",""
"7705540","11.0215","0.0006","13.0845","0.0008","14.7338","0.0008","111.755","0.003","94.625","0.003","113.785","0.003","1738.38","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H114 Mn4 N4 O16 -","- C56 H114 Mn4 N4 O16 -","- C56 H114 Mn4 N4 O16 -","1","0.5","","Reis Conceição, Nuno; Nesterova, Oksana V.; Rajnák, Cyril; Boča, Roman; Pombeiro, Armando J. L.; Guedes da Silva, M Fátima C; Nesterov, Dmytro S.","New members of the polynuclear manganese family: MnMn single-molecule magnets and MnMn antiferromagnetic complexes. Synthesis and magnetostructural correlations.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13970","13985","10.1039/d0dt02652b","","","0.71073","MoKα","","0.1395","0.075","","","0.1394","0.1552","","","","","","1.041","","","","has coordinates,has disorder","258841","2020-11-06","12:16:24",""
"7705541","11.3934","0.001","13.1548","0.0012","14.1256","0.0013","101.165","0.003","107.024","0.003","114.891","0.003","1709.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H114 Mn4 N4 O16 -","- C56 H114 Mn4 N4 O16 -","- C56 H114 Mn4 N4 O16 -","1","0.5","","Reis Conceição, Nuno; Nesterova, Oksana V.; Rajnák, Cyril; Boča, Roman; Pombeiro, Armando J. L.; Guedes da Silva, M Fátima C; Nesterov, Dmytro S.","New members of the polynuclear manganese family: MnMn single-molecule magnets and MnMn antiferromagnetic complexes. Synthesis and magnetostructural correlations.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13970","13985","10.1039/d0dt02652b","","","0.71073","MoKα","","0.1035","0.065","","","0.1666","0.189","","","","","","1.054","","","","has coordinates,has disorder","258841","2020-11-06","12:16:24",""
"7705542","25.906","0.003","20.793","0.002","24.835","0.004","90","","116.407","0.005","90","","11982","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H192 Mn11 N6 O34 -","- C96 H192 Mn11 N6 O34 -","- C384 H768 Mn44 N24 O136 -","4","0.5","","Reis Conceição, Nuno; Nesterova, Oksana V.; Rajnák, Cyril; Boča, Roman; Pombeiro, Armando J. L.; Guedes da Silva, M Fátima C; Nesterov, Dmytro S.","New members of the polynuclear manganese family: MnMn single-molecule magnets and MnMn antiferromagnetic complexes. Synthesis and magnetostructural correlations.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13970","13985","10.1039/d0dt02652b","","","0.71073","MoKα","","0.3273","0.1289","","","0.3278","0.438","","","","","","1.049","","","","has coordinates","258841","2020-11-06","12:16:24",""
"7705543","12.007","0.002","12.226","0.001","23.179","0.002","90.59","0.01","92.17","0.01","91.24","0.01","3399.2","0.7","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H40 N2 O5 P Pd -","- C39 H36 N O5 P Pd -","- C156 H144 N4 O20 P4 Pd4 -","4","2","","Abedanzadeh, Sedigheh; Karami, Kazem; Rahimi, Mostafa; Edalati, Masoud; Abedanzadeh, Mozhgan; Tamaddon, Ali Mohammad; Jahromi, Maryam Dehdashti; Amirghofran, Zahra; Lipkowski, Janusz; Lyczko, Krzysztof","Potent cyclometallated Pd(II) antitumor complexes bearing α-amino acids: synthesis, structural characterization, DNA/BSA binding, cytotoxicity and molecular dynamics simulation.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14891","14907","10.1039/d0dt02304c","","","","","","0.121","","","","","","","","","","","","","","","has coordinates","258809","2020-11-06","12:03:45",""
"7705544","13.5137","0.0004","14.6165","0.0003","22.3671","0.0006","98.591","0.002","97.338","0.002","90.613","0.002","4330.7","0.2","108.3","0.1","108.3","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C90.1 H95.59 Cl4.61 Cu2 N6 O9.7 P4 -","- C90.094 H95.584 Cl4.604 Cu2 N6 O9.698 P4 -","- C180.188 H191.168 Cl9.208 Cu4 N12 O19.396 P8 -","2","1","","Pan, Xun; Kuang, Xiao-Nan; Zhu, Ning; Wang, Guo; Yang, Yu-Ping; Liu, Jian-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Han, Hong-Liang; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhang, Jiang-Wei","Terahertz time-domain absorption spectra of Cu(I) complexes bearing tetraphosphine ligands: the bridge between the C-Hπ and ππ interactions and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14941","14950","10.1039/d0dt02542a","","x-ray","0.71073","MoKα","","0.0959","0.0676","","","0.1503","0.1668","","","","","","1.058","","","","has coordinates,has disorder","258813","2020-11-06","12:06:27",""
"7705545","19.806","0.003","15.506","0.002","32.903","0.004","90","","103.673","0.012","90","","9819","2","108.3","0.1","108.3","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C108 H102 Cl2 Cu2 N6 O11 P4 -","- C108 H102 Cl2 Cu2 N6 O11 P4 -","- C432 H408 Cl8 Cu8 N24 O44 P16 -","4","0.5","","Pan, Xun; Kuang, Xiao-Nan; Zhu, Ning; Wang, Guo; Yang, Yu-Ping; Liu, Jian-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Han, Hong-Liang; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhang, Jiang-Wei","Terahertz time-domain absorption spectra of Cu(I) complexes bearing tetraphosphine ligands: the bridge between the C-Hπ and ππ interactions and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14941","14950","10.1039/d0dt02542a","","","0.71073","MoKα","","0.2606","0.1192","","","0.2432","0.3237","","","","","","1.009","","","","has coordinates","258813","2020-11-06","12:06:28",""
"7705546","13.6176","0.0003","13.8696","0.00018","16.3807","0.0002","71.4901","0.0012","65.5328","0.0015","64.5233","0.0015","2505.37","0.08","100.01","","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C109 H90 Cl8 Cu2 N6 O8 P4 -","- C106 H84 Cl2 Cu2 N6 O8 P4 -","- C106 H84 Cl2 Cu2 N6 O8 P4 -","1","0.5","","Pan, Xun; Kuang, Xiao-Nan; Zhu, Ning; Wang, Guo; Yang, Yu-Ping; Liu, Jian-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Han, Hong-Liang; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhang, Jiang-Wei","Terahertz time-domain absorption spectra of Cu(I) complexes bearing tetraphosphine ligands: the bridge between the C-Hπ and ππ interactions and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14941","14950","10.1039/d0dt02542a","","","1.54184","CuKα","","0.0409","0.0386","","","0.105","0.1067","","","","","","1.0324","","","","has coordinates,has disorder","258813","2020-11-06","12:06:28",""
"7705547","13.2249","0.0004","14.9229","0.0004","21.776","0.0006","72.522","0.002","74.29","0.002","80.072","0.002","3926.6","0.2","108.3","0.1","108.3","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C83.5 H71 Cl5 Cu2 N10 O8 P4 -","- C82 H68 Cl2 Cu2 N10 O8 P4 -","- C164 H136 Cl4 Cu4 N20 O16 P8 -","2","1","","Pan, Xun; Kuang, Xiao-Nan; Zhu, Ning; Wang, Guo; Yang, Yu-Ping; Liu, Jian-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Han, Hong-Liang; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhang, Jiang-Wei","Terahertz time-domain absorption spectra of Cu(I) complexes bearing tetraphosphine ligands: the bridge between the C-Hπ and ππ interactions and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14941","14950","10.1039/d0dt02542a","","","0.71073","MoKα","","0.0564","0.0435","","","0.0971","0.1038","","","","","","1.0468","","","","has coordinates,has disorder","258813","2020-11-06","12:06:28",""
"7705548","13.9014","0.0006","19.6282","0.0009","14.2188","0.0006","90","","98.387","0.001","90","","3838.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H39 Cl F6 N5 P3 Ru -","- C38 H39 Cl F6 N5 P3 Ru -","- C152 H156 Cl4 F24 N20 P12 Ru4 -","4","1","","Wise, Dan E.; Gamble, Aimee J.; Arkawazi, Sham W.; Walton, Paul H.; Galan, M. Carmen; O'Hagan, Michael P; Hogg, Karen G.; Marrison, Joanne L.; O'Toole, Peter J; Sparkes, Hazel A.; Lynam, Jason M.; Pringle, Paul G.","Cytotoxic (<i>cis</i>,<i>cis</i>-1,3,5-triaminocyclohexane)ruthenium(II)-diphosphine complexes; evidence for covalent binding <i>and</i> intercalation with DNA.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15219","15230","10.1039/d0dt02612c","","","0.71073","MoKα","","0.0534","0.035","","","0.0695","0.0762","","","","","","1.015","","","","has coordinates,has disorder","260744","2021-01-07","06:15:29",""
"7705549","12.2153","0.0003","8.489","0.0003","13.6679","0.0005","90","","92.201","0.002","90","","1416.26","0.08","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Al2 N4 -","- C28 H46 Al2 N4 -","- C56 H92 Al4 N8 -","2","0.5","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.54184","CuKα","","0.0439","0.0364","","","0.0906","0.0962","","","","","","1.025","","","","has coordinates","258836","2020-11-06","12:13:57",""
"7705550","8.6606","0.0001","15.189","0.0002","17.337","0.0002","90","","102.02","0.001","90","","2230.61","0.05","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 N4 Zn -","- C24 H36 N4 Zn -","- C96 H144 N16 Zn4 -","4","1","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.39222","CuKβ","","0.0272","0.0253","","","0.0697","0.0712","","","","","","1.049","","","","has coordinates","258836","2020-11-06","12:13:57",""
"7705551","8.7239","0.0001","15.064","0.0002","17.5875","0.0003","90","","104.291","0.002","90","","2239.77","0.06","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Mg N4 -","- C24 H36 Mg N4 -","- C96 H144 Mg4 N16 -","4","1","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.54184","CuKα","","0.0343","0.0317","","","0.085","0.0875","","","","","","1.027","","","","has coordinates","258836","2020-11-06","12:13:57",""
"7705552","8.05464","0.00011","18.54236","0.00019","8.27176","0.0001","90","","114.327","0.0016","90","","1125.71","0.03","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 N4 -","- C24 H38 N4 -","- C48 H76 N8 -","2","0.5","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.54184","CuKα","","0.0366","0.0339","","","0.0885","0.0918","","","","","","1.031","","","","has coordinates","258836","2020-11-06","12:13:57",""
"7705553","9.7448","0.0002","13.2241","0.0002","18.4085","0.0003","90","","103.626","0.002","90","","2305.47","0.07","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H37 Al N4 -","- C24 H37 Al N4 -","- C96 H148 Al4 N16 -","4","1","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.54184","CuKα","","0.0445","0.0368","","","0.0903","0.0956","","","","","","1.045","","","","has coordinates","258836","2020-11-06","12:13:57",""
"7705554","9.2946","0.0003","10.3097","0.0003","15.5461","0.0006","104.387","0.003","90.487","0.003","109.209","0.003","1355.99","0.09","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H44 N4 Zn2 -","- C28 H44 N4 Zn2 -","- C56 H88 N8 Zn4 -","2","1","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.54184","CuKα","","0.0334","0.0277","","","0.0674","0.0706","","","","","","1.044","","","","has coordinates,has disorder","258836","2020-11-06","12:13:58",""
"7705555","9.4698","0.0003","12.9516","0.0005","12.8812","0.0004","90","","107.433","0.004","90","","1507.3","0.09","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 Al2 N4 -","- C28 H48 Al2 N4 -","- C56 H96 Al4 N8 -","2","0.5","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.54184","CuKα","","0.0494","0.046","","","0.1119","0.1144","","","","","","1.146","","","","has coordinates,has disorder","258836","2020-11-06","12:13:58",""
"7705556","13.8445","0.0002","17.9944","0.0002","18.8137","0.0002","90","","90","","90","","4686.93","0.1","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H72 N6 O Si4 Sn2 -","- C36 H72 N6 O Si4 Sn2 -","- C144 H288 N24 O4 Si16 Sn8 -","4","1","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.39222","CuKβ","","0.0183","0.0178","","","0.0428","0.0431","","","","","","1.04","","","","has coordinates","258836","2020-11-06","12:13:58",""
"7705557","12.0676","0.0003","13.4021","0.0003","15.1427","0.0003","90","","95.948","0.002","90","","2435.86","0.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 Al2 N4 O0.5 -","- C22 H40 Al2 N4 O0.5 -","- C88 H160 Al8 N16 O2 -","4","1","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.54184","CuKα","","0.0447","0.0403","","","0.1076","0.1107","","","","","","1.067","","","","has coordinates,has disorder","258836","2020-11-06","12:13:58",""
"7705558","31.9265","0.0007","7.4319","0.0002","13.1546","0.0003","90","","98.015","0.002","90","","3090.76","0.13","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H50 Al2 N4 -","- C29 H50 Al2 N4 -","- C116 H200 Al8 N16 -","4","1","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.54184","CuKα","","0.0564","0.0448","","","0.1197","0.1294","","","","","","1.038","","","","has coordinates","258836","2020-11-06","12:13:58",""
"7705559","17.1511","0.0001","21.9866","0.0002","12.9305","0.0001","90","","91.116","0.001","90","","4875.09","0.06","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 N4 Zn -","- C26 H40 N4 Zn -","- C208 H320 N32 Zn8 -","8","2","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.39222","CuKβ","","0.0328","0.0299","","","0.076","0.0778","","","","","","1.027","","","","has coordinates","258836","2020-11-06","12:13:58",""
"7705560","18.2567","0.0003","11.3141","0.0002","11.7597","0.0002","90","","90","","90","","2429.06","0.07","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H40 Mg N4 -","- C26 H40 Mg N4 -","- C104 H160 Mg4 N16 -","4","1","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.54184","CuKα","","0.0245","0.0242","","","0.0641","0.0643","","","","","","1.037","","","","has coordinates","258836","2020-11-06","12:13:58",""
"7705561","13.2404","0.0003","14.7403","0.0003","12.6651","0.0004","90","","117.329","0.004","90","","2195.92","0.12","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 Al2 N4 -","- C18 H36 Al2 N4 -","- C72 H144 Al8 N16 -","4","1","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.54184","CuKα","","0.0393","0.0336","","","0.0925","0.0976","","","","","","1.034","","","","has coordinates","258836","2020-11-06","12:13:58",""
"7705562","8.5472","0.0002","18.572","0.0004","14.0121","0.0003","90","","98.247","0.002","90","","2201.26","0.09","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N4 -","- C24 H36 N4 -","- C96 H144 N16 -","4","1","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.54184","CuKα","","0.049","0.0402","","","0.0998","0.105","","","","","","1.04","","","","has coordinates","258836","2020-11-06","12:13:58",""
"7705563","13.0262","0.0001","16.2087","0.0002","33.3195","0.0003","90","","96.394","0.001","90","","6991.24","0.12","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H76 N6 Si4 Sn2 -","- C38 H76 N6 Si4 Sn2 -","- C228 H456 N36 Si24 Sn12 -","6","1.5","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.54184","CuKα","","0.0249","0.0224","","","0.0544","0.0559","","","","","","1.025","","","","has coordinates","258836","2020-11-06","12:13:58",""
"7705564","19.364","0.004","11.864","0.003","14.588","0.003","90","","104.857","0.003","90","","3239.3","1.3","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 Pt Se -","- C18 H15 N O2 Pt Se -","- C144 H120 N8 O16 Pt8 Se8 -","8","2","","Wang, Dezhi; Chen, Xi; Yang, Hua; Zhong, Daokun; Liu, Boao; Yang, Xiaolong; Yue, Ling; Zhou, Guijiang; Ma, Miaofeng; Wu, Zhaoxin","The synthesis of cyclometalated platinum(II) complexes with benzoaryl-pyridines as C^N ligands for investigating their photophysical, electrochemical and electroluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15633","15645","10.1039/d0dt02224a","","","0.71073","MoKα","","0.0343","0.0247","","","0.0559","0.0604","","","","","","1.036","","","","has coordinates","260729","2021-01-07","06:10:45",""
"7705565","19.507","0.005","12.005","0.003","14.592","0.004","90","","103.877","0.003","90","","3317.4","1.5","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 Pt Te -","- C18 H15 N O2 Pt Te -","- C144 H120 N8 O16 Pt8 Te8 -","8","2","","Wang, Dezhi; Chen, Xi; Yang, Hua; Zhong, Daokun; Liu, Boao; Yang, Xiaolong; Yue, Ling; Zhou, Guijiang; Ma, Miaofeng; Wu, Zhaoxin","The synthesis of cyclometalated platinum(II) complexes with benzoaryl-pyridines as C^N ligands for investigating their photophysical, electrochemical and electroluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15633","15645","10.1039/d0dt02224a","","","0.71073","MoKα","","0.0428","0.0314","","","0.075","0.0809","","","","","","1.033","","","","has coordinates","260729","2021-01-07","06:10:46",""
"7705566","18.9408","0.001","9.9747","0.0004","33.4503","0.0017","90","","98.379","0.005","90","","6252.3","0.5","130","1","130","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C62 H53 Cl2 Co N11 O8 -","- C62 H53 Cl2 Co N11 O8 -","- C248 H212 Cl8 Co4 N44 O32 -","4","0.5","","Banasz, Radosław; Kubicki, Maciej; Wałęsa-Chorab, Monika","Yellow-to-brown and yellow-to-green electrochromic devices based on complexes of transition metal ions with a triphenylamine-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15041","15053","10.1039/d0dt03232h","","x-ray","1.54184","CuKα","","0.1097","0.0885","","","0.231","0.2452","","","","","","1.155","","","","has coordinates","258815","2020-11-06","12:06:55",""
"7705567","9.6484","0.001","5.2515","0.0005","22.483","0.002","90","","96.382","0.01","90","","1132.12","0.19","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9.5 H10.5 N1.5 O3.5 P Zn -","- C8 H7 N O3 P Zn -","- C32 H28 N4 O12 P4 Zn4 -","4","1","","Liu, Ai-Ju; Han, Yue; Xu, Fei; Han, Song-De; Pan, Jie; Wang, Guo-Ming","Coordinate bond- and hydrogen bond-assisted electron transfer strategy towards the generation of photochromic metal phosphites.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14598","14604","10.1039/d0dt03010d","","","0.71073","MoKα","","0.0528","0.0357","","","0.0741","0.0789","","","","","","0.964","","","","has coordinates","258789","2020-11-06","11:57:36",""
"7705568","16.793","0.0007","16.793","0.0007","27.809","0.003","90","","90","","90","","7842.3","1","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C66 H62 Cl8 N6 O14 P4 Zn5 -","- C66 H62 Cl8 N6 O14 P4 Zn5 -","- C264 H248 Cl32 N24 O56 P16 Zn20 -","4","0.25","","Liu, Ai-Ju; Han, Yue; Xu, Fei; Han, Song-De; Pan, Jie; Wang, Guo-Ming","Coordinate bond- and hydrogen bond-assisted electron transfer strategy towards the generation of photochromic metal phosphites.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14598","14604","10.1039/d0dt03010d","","","0.71073","MoKα","","0.0839","0.0485","","","0.1319","0.145","","","","","","1.043","","","","has coordinates,has disorder","258789","2020-11-06","11:57:37",""
"7705569","10.869","0.002","18.441","0.004","21.954","0.004","90","","90","","90","","4400.4","1.5","100","","100","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C27 H18 F36 K2 O9 Sn -","- C27 H18 F36 K2 O9 Sn -","- C108 H72 F144 K8 O36 Sn4 -","4","0.5","","Elinburg, Jessica K.; Hyre, Ariel S.; McNeely, James; Alam, Todd M.; Klenner, Steffen; Pöttgen, Rainer; Rheingold, Arnold L.; Doerrer, Linda H.","Formation of monomeric Sn(ii) and Sn(iv) perfluoropinacolate complexes and their characterization by <sup>119</sup>Sn Mössbauer and <sup>119</sup>Sn NMR spectroscopies.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13773","13785","10.1039/d0dt02837a","","x-ray","0.71073","MoKα","","0.0715","0.053","","","0.0921","0.0969","","","","","","1.268","","","","has coordinates","258825","2020-11-06","12:10:42",""
"7705570","27.5254","0.0011","10.747","0.0004","28.7368","0.0015","90","","114.007","0.002","90","","7765.4","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H96 F24 K2 O26 Sn -","- C60 H96 F24 K2 O26 Sn -","- C240 H384 F96 K8 O104 Sn4 -","4","0.5","","Elinburg, Jessica K.; Hyre, Ariel S.; McNeely, James; Alam, Todd M.; Klenner, Steffen; Pöttgen, Rainer; Rheingold, Arnold L.; Doerrer, Linda H.","Formation of monomeric Sn(ii) and Sn(iv) perfluoropinacolate complexes and their characterization by <sup>119</sup>Sn Mössbauer and <sup>119</sup>Sn NMR spectroscopies.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13773","13785","10.1039/d0dt02837a","","x-ray","0.71073","MoKα","","0.0617","0.0389","","","0.0708","0.0783","","","","","","1.009","","","","has coordinates","258825","2020-11-06","12:10:43",""
"7705571","15.1378","0.0016","16.2438","0.0016","16.2454","0.0016","99.54","0.003","114.932","0.003","112.822","0.003","3068.9","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H42 F36 K2 O16 Sn -","- C39 H42 F36 K2 O16 Sn -","- C78 H84 F72 K4 O32 Sn2 -","2","1","","Elinburg, Jessica K.; Hyre, Ariel S.; McNeely, James; Alam, Todd M.; Klenner, Steffen; Pöttgen, Rainer; Rheingold, Arnold L.; Doerrer, Linda H.","Formation of monomeric Sn(ii) and Sn(iv) perfluoropinacolate complexes and their characterization by <sup>119</sup>Sn Mössbauer and <sup>119</sup>Sn NMR spectroscopies.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13773","13785","10.1039/d0dt02837a","","","0.71073","MoKα","","0.0488","0.0402","","","0.1045","0.1102","","","","","","1.127","","","","has coordinates,has disorder","258825","2020-11-06","12:10:43",""
"7705572","16.6806","0.0014","12.1477","0.001","14.6638","0.0013","90","","95.237","0.005","90","","2958.9","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 F24 K2 O6 Sn -","- C20 H16 F24 K2 O6 Sn -","- C80 H64 F96 K8 O24 Sn4 -","4","0.5","","Elinburg, Jessica K.; Hyre, Ariel S.; McNeely, James; Alam, Todd M.; Klenner, Steffen; Pöttgen, Rainer; Rheingold, Arnold L.; Doerrer, Linda H.","Formation of monomeric Sn(ii) and Sn(iv) perfluoropinacolate complexes and their characterization by <sup>119</sup>Sn Mössbauer and <sup>119</sup>Sn NMR spectroscopies.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13773","13785","10.1039/d0dt02837a","","","0.71073","MoKα","","0.0514","0.0399","","","0.094","0.1022","","","","","","1.031","","","","has coordinates,has disorder","258825","2020-11-06","12:10:43",""
"7705573","12.3859","0.0009","14.3035","0.0011","15.7748","0.0013","82.239","0.002","80.467","0.002","70.003","0.002","2580.6","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H44 F36 N2 O8 Sn -","- C36 H44 F36 N2 O8 Sn -","- C72 H88 F72 N4 O16 Sn2 -","2","1","","Elinburg, Jessica K.; Hyre, Ariel S.; McNeely, James; Alam, Todd M.; Klenner, Steffen; Pöttgen, Rainer; Rheingold, Arnold L.; Doerrer, Linda H.","Formation of monomeric Sn(ii) and Sn(iv) perfluoropinacolate complexes and their characterization by <sup>119</sup>Sn Mössbauer and <sup>119</sup>Sn NMR spectroscopies.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13773","13785","10.1039/d0dt02837a","","x-ray","0.71073","MoKα","","0.0582","0.0378","","","0.0664","0.0734","","","","","","1.009","","","","has coordinates","258825","2020-11-06","12:10:43",""
"7705574","10.025","0.002","11.767","0.002","26.548","0.003","90","","99.56","0.02","90","","3088.2","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 Br In N4 -","- C30 H46 Br In N4 -","- C120 H184 Br4 In4 N16 -","4","1","","Banerjee, Samya; Dutta, Sayan; Sarkar, Samir Kumar; Graw, Nico; Herbst-Irmer, Regine; Koley, Debasis; Stalke, Dietmar; Roesky, Herbert W.","Amidinate based indium(III) monohalides and β-diketiminate stabilized In(II)-In(II) bond: synthesis, crystal structure, and computational study.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14231","14236","10.1039/d0dt03161e","","","0.56086","AgKα","","0.0385","0.0257","","","0.0485","0.0517","","","","","","1.03","","","","has coordinates","258853","2020-11-06","12:18:49",""
"7705575","20.114","0.003","9.71","0.002","16.382","0.002","90","","94.76","0.02","90","","3188.5","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H46 I In N4 -","- C30 H46 I In N4 -","- C120 H184 I4 In4 N16 -","4","0.5","","Banerjee, Samya; Dutta, Sayan; Sarkar, Samir Kumar; Graw, Nico; Herbst-Irmer, Regine; Koley, Debasis; Stalke, Dietmar; Roesky, Herbert W.","Amidinate based indium(III) monohalides and β-diketiminate stabilized In(II)-In(II) bond: synthesis, crystal structure, and computational study.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14231","14236","10.1039/d0dt03161e","","","0.71073","MoKα","","0.0153","0.0146","","","0.0364","0.0369","","","","","","1.039","","","","has coordinates,has disorder","258853","2020-11-06","12:18:51",""
"7705576","9.763","0.002","21.991","0.003","15.761","0.002","90","","94.32","0.02","90","","3374.2","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33.5 H50 Br In N4 -","- C33.5 H50 Br In N4 -","- C134 H200 Br4 In4 N16 -","4","1","","Banerjee, Samya; Dutta, Sayan; Sarkar, Samir Kumar; Graw, Nico; Herbst-Irmer, Regine; Koley, Debasis; Stalke, Dietmar; Roesky, Herbert W.","Amidinate based indium(III) monohalides and β-diketiminate stabilized In(II)-In(II) bond: synthesis, crystal structure, and computational study.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14231","14236","10.1039/d0dt03161e","","","0.71073","MoKα","","0.0209","0.0172","","","0.0402","0.0415","","","","","","1.034","","","","has coordinates,has disorder","258853","2020-11-06","12:18:55",""
"7705577","12.09","0.002","10.862","0.002","17.663","0.003","90","","104.5","0.02","90","","2245.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 Br2 In2 N4 -","- C46 H58 Br2 In2 N4 -","- C92 H116 Br4 In4 N8 -","2","0.5","","Banerjee, Samya; Dutta, Sayan; Sarkar, Samir Kumar; Graw, Nico; Herbst-Irmer, Regine; Koley, Debasis; Stalke, Dietmar; Roesky, Herbert W.","Amidinate based indium(III) monohalides and β-diketiminate stabilized In(II)-In(II) bond: synthesis, crystal structure, and computational study.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14231","14236","10.1039/d0dt03161e","","","0.71073","MoKα","","0.0192","0.0173","","","0.0446","0.0454","","","","","","1.067","","","","has coordinates","258853","2020-11-06","12:18:58",""
"7705578","10.9641","0.0008","13.1791","0.0008","14.2135","0.001","80.151","0.003","84.789","0.003","82.795","0.003","2002.5","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","PJ-145","","- C47 H40 Cl O6 P W -","- C47 H40 Cl O6 P W -","- C94 H80 Cl2 O12 P2 W2 -","2","1","","Junker, Philip; Villalba Franco, José M; Schnakenburg, Gregor; Nesterov, Vitaly; Boere, René T; Qu, Zheng-Wang; Streubel, Rainer","Formation and properties of phosphaquinomethane tungsten(0) complexes - isolation and conversion of primary radical coupling products.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13544","13548","10.1039/d0dt03089a","","","0.71073","MoKα","","0.0217","0.0186","","","0.0429","0.0445","","","","","","1.075","","","","has coordinates","258838","2020-11-06","12:14:39",""
"7705579","30.3039","0.0003","30.3039","0.0003","8.2725","0.0001","90","","90","","90","","7596.85","0.14","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C13 H7 Eu N O5 -","- C13 H7 Eu N O5 -","- C208 H112 Eu16 N16 O80 -","16","1","","Li, Bo; Jiang, Yu-Ying; Sun, Ya-Ya; Wang, Yan-Jiang; Han, Min-Le; Wu, Ya-Pan; Ma, Lu-Fang; Li, Dong-Sheng","The highly selective detecting of antibiotics and support of noble metal catalysts by a multifunctional Eu-MOF.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14854","14862","10.1039/d0dt03176c","","x-ray","1.54184","CuKα","","0.0352","0.0335","","","0.0863","0.0872","","","","","","1.061","","","","has coordinates","258806","2020-11-06","12:02:39",""
"7705580","12.3017","0.0003","21.3897","0.0004","27.2421","0.0007","90","","117.125","0.003","90","","6379.8","0.3","100","1","100","1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C64 H94 Au Cl4 F6 N O4 P2 S2 -","- C64 H94 Au Cl4 F6 N O4 P2 S2 -","- C256 H376 Au4 Cl16 F24 N4 O16 P8 S8 -","4","1","","Voloshkin, Vladislav A.; Saab, Marina; Van Hecke, Kristof; Lau, Sii Hong; Carrow, Bradley P.; Nolan, Steven P.","Synthesis, reactivity and catalytic activity of Au-PAd<sub>3</sub> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13872","13879","10.1039/d0dt03330h","","x-ray","1.54184","CuKα","","0.0981","0.0856","","","0.185","0.1924","","","","","","1.022","","","","has coordinates,has disorder","258833","2020-11-06","12:12:55",""
"7705581","12.1478","0.0003","13.53","0.0004","18.3502","0.0007","90.375","0.003","101.684","0.003","101.124","0.003","2894.78","0.16","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C31 H45 Au F3 O3 P S -","- C31 H45 Au F3 O3 P S -","- C124 H180 Au4 F12 O12 P4 S4 -","4","2","","Voloshkin, Vladislav A.; Saab, Marina; Van Hecke, Kristof; Lau, Sii Hong; Carrow, Bradley P.; Nolan, Steven P.","Synthesis, reactivity and catalytic activity of Au-PAd<sub>3</sub> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13872","13879","10.1039/d0dt03330h","","x-ray","0.71073","MoKα","","0.0519","0.0346","","","0.0668","0.0743","","","","","","1.032","","","","has coordinates","258833","2020-11-06","12:12:58",""
"7705582","10.5518","0.0011","21.069","0.002","24.247","0.002","90","","90","","90","","5390.5","0.9","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H35 Dy F9 N4 O6.5 S5 -","- C51 H35 Dy F9 N4 O6.5 S5 -","- C204 H140 Dy4 F36 N16 O26 S20 -","4","1","","Kong, Ming; Feng, Xin; Li, Jing; Hu, Zhao-Bo; Wang, Jia; Song, Xiao-Jiao; Jing, Zhao-Yang; Zhang, Yi-Quan; Song, You","Structurally modulated single-ion magnets of mononuclear β-diketone dysprosium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14931","14940","10.1039/d0dt02864a","","","0.71073","MoKα","","0.0504","0.0416","","","0.1039","0.1079","","","","","","1.012","","","","has coordinates","258808","2020-11-06","12:03:25",""
"7705583","10.6671","0.0002","25.8281","0.0006","20.6774","0.0004","90","","102.381","0.001","90","","5564.4","0.2","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H42 Dy F9 N4 O9 S3 -","- C59 H42 Dy F9 N4 O9 S3 -","- C236 H168 Dy4 F36 N16 O36 S12 -","4","1","","Kong, Ming; Feng, Xin; Li, Jing; Hu, Zhao-Bo; Wang, Jia; Song, Xiao-Jiao; Jing, Zhao-Yang; Zhang, Yi-Quan; Song, You","Structurally modulated single-ion magnets of mononuclear β-diketone dysprosium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14931","14940","10.1039/d0dt02864a","","","0.71073","MoKα","","0.1113","0.0656","","","0.1698","0.185","","","","","","1.056","","","","has coordinates","258808","2020-11-06","12:03:29",""
"7705584","10.1831","0.0012","22.233","0.003","21.689","0.003","90","","101.119","0.005","90","","4818.2","1.1","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H28 Dy F9 N4 O6 S3 -","- C50 H28 Dy F9 N4 O6 S3 -","- C200 H112 Dy4 F36 N16 O24 S12 -","4","1","","Kong, Ming; Feng, Xin; Li, Jing; Hu, Zhao-Bo; Wang, Jia; Song, Xiao-Jiao; Jing, Zhao-Yang; Zhang, Yi-Quan; Song, You","Structurally modulated single-ion magnets of mononuclear β-diketone dysprosium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14931","14940","10.1039/d0dt02864a","","","0.71073","MoKα","","0.0659","0.0581","","","0.1601","0.1641","","","","","","1.097","","","","has coordinates","258808","2020-11-06","12:03:35",""
"7705585","13.6667","0.0012","19.2642","0.0018","41.493","0.004","90","","91.986","0.005","90","","10917.6","1.8","193","2","192.95","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H32 Dy F9 N4 O7 S3 -","- C52 H32 Dy F9 N4 O7 S3 -","- C416 H256 Dy8 F72 N32 O56 S24 -","8","1","","Kong, Ming; Feng, Xin; Li, Jing; Hu, Zhao-Bo; Wang, Jia; Song, Xiao-Jiao; Jing, Zhao-Yang; Zhang, Yi-Quan; Song, You","Structurally modulated single-ion magnets of mononuclear β-diketone dysprosium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14931","14940","10.1039/d0dt02864a","","","0.71073","MoKα","","0.158","0.1038","","","0.2204","0.2428","","","","","","1.139","","","","has coordinates,has disorder","258808","2020-11-06","12:03:35",""
"7705586","13.6952","0.0011","19.2367","0.0014","41.347","0.003","90","","92.205","0.002","90","","10884.8","1.4","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C102 H60 Dy2 F18 N8 O15 S6 -","- C102 H60 Dy2 F18 N8 O15 S6 -","- C408 H240 Dy8 F72 N32 O60 S24 -","4","0.5","","Kong, Ming; Feng, Xin; Li, Jing; Hu, Zhao-Bo; Wang, Jia; Song, Xiao-Jiao; Jing, Zhao-Yang; Zhang, Yi-Quan; Song, You","Structurally modulated single-ion magnets of mononuclear β-diketone dysprosium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14931","14940","10.1039/d0dt02864a","","","0.71073","MoKα","","0.1437","0.0921","","","0.2027","0.2255","","","","","","1.099","","","","has coordinates,has disorder","258808","2020-11-06","12:03:35",""
"7705587","7.29023","0.00008","15.38948","0.00019","22.8617","0.0003","90","","90","","90","","2564.92","0.05","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 Cl3 N5 O3 V -","- C25 H27 Cl3 N5 O3 V -","- C100 H108 Cl12 N20 O12 V4 -","4","1","","Bazhenova, Tamara A.; Zorina, Leokadiya V.; Simonov, Sergey V.; Mironov, Vladimir S.; Maximova, Olga V.; Spillecke, Lena; Koo, Changhyun; Klingeler, Rüdiger; Manakin, Yuriy V.; Vasiliev, Alexander N.; Yagubskii, Eduard B.","The first pentagonal-bipyramidal vanadium(III) complexes with a Schiff-base N<sub>3</sub>O<sub>2</sub> pentadentate ligand: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15287","15298","10.1039/d0dt03092a","","x-ray","0.71073","MoKα","","0.032","0.0301","","","0.0819","0.084","","","","","","1.002","","","","has coordinates","260745","2021-01-07","06:15:39",""
"7705588","19.5934","0.0003","7.4977","0.00008","20.3843","0.0003","90","","112.382","0.0018","90","","2768.97","0.07","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 Cl N5 O5 V -","- C26 H31 Cl N5 O5 V -","- C104 H124 Cl4 N20 O20 V4 -","4","1","","Bazhenova, Tamara A.; Zorina, Leokadiya V.; Simonov, Sergey V.; Mironov, Vladimir S.; Maximova, Olga V.; Spillecke, Lena; Koo, Changhyun; Klingeler, Rüdiger; Manakin, Yuriy V.; Vasiliev, Alexander N.; Yagubskii, Eduard B.","The first pentagonal-bipyramidal vanadium(III) complexes with a Schiff-base N<sub>3</sub>O<sub>2</sub> pentadentate ligand: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15287","15298","10.1039/d0dt03092a","","x-ray","0.71073","MoKα","","0.037","0.0307","","","0.0789","0.0835","","","","","","1.001","","","","has coordinates","260745","2021-01-07","06:15:50",""
"7705589","13.9738","0.0002","14.3549","0.0002","27.3124","0.0004","90","","90","","90","","5478.66","0.14","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26.5 H23.5 N7.5 O2.5 S2 V -","- C26.5 H23.5 N7.5 O2.5 S2 V -","- C212 H188 N60 O20 S16 V8 -","8","2","","Bazhenova, Tamara A.; Zorina, Leokadiya V.; Simonov, Sergey V.; Mironov, Vladimir S.; Maximova, Olga V.; Spillecke, Lena; Koo, Changhyun; Klingeler, Rüdiger; Manakin, Yuriy V.; Vasiliev, Alexander N.; Yagubskii, Eduard B.","The first pentagonal-bipyramidal vanadium(III) complexes with a Schiff-base N<sub>3</sub>O<sub>2</sub> pentadentate ligand: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15287","15298","10.1039/d0dt03092a","","x-ray","0.71073","MoKα","","0.0472","0.037","","","0.0811","0.0868","","","","","","1","","","","has coordinates,has disorder","260745","2021-01-07","06:15:54",""
"7705590","7.8431","0.0006","23.827","0.002","8.7706","0.0007","90","","114.206","0.009","90","","1494.9","0.2","93","2","93","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H14 Cl N3 -","- C18 H15 Cl N3 -","- C72 H60 Cl4 N12 -","4","1","","Longevial, Jean-François; Miyagawa, Kazuya; Shinokubo, Hiroshi","Site-selective halogenation on <i>meso</i>-mesityl substituents of 10,20-dimesityl-5,15-diazaporphyrins with an AuX<sub>3</sub>/AgOTf combination.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14786","14789","10.1039/d0dt02727h","","","0.71073","MoKα","","0.1246","0.1135","","","0.2103","0.2151","","","","","","1.173","","","","has coordinates,has disorder","258804","2020-11-06","12:02:11",""
"7705591","28.136","0.002","17.1992","0.0013","7.4871","0.0006","90","","90","","90","","3623.1","0.5","100","","100","","","","","","","","see text","9","P n m a","-P 2ac 2n","62","","","","- C34 H30 Ag Cl3 F0 N8 Ni O S -","- C34 H30 Ag Cl3 N8 Ni O S -","- C136 H120 Ag4 Cl12 N32 Ni4 O4 S4 -","4","0.5","","Bernd, Marco A.; Bauer, Elisabeth B.; Oberkofler, Jens; Bauer, Andreas; Reich, Robert M.; Kühn, Fritz E","Macrocyclic NHC complexes of group 10 elements with enlarged aromaticity for biological studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14106","14114","10.1039/d0dt02598d","","x-ray","0.71073","MoKα","","0.0449","0.0382","","","0.0804","0.0831","","","","","","1.086","","","","has coordinates","258850","2020-11-06","12:18:07",""
"7705592","17.3811","0.0014","14.485","0.0012","16.7476","0.0013","90","","116.674","0.003","90","","3767.7","0.5","100","","100","","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 F6 N8 O7 Pd S3 -","- C36 H30 F6 N8 O7 Pd S3 -","- C144 H120 F24 N32 O28 Pd4 S12 -","4","1","","Bernd, Marco A.; Bauer, Elisabeth B.; Oberkofler, Jens; Bauer, Andreas; Reich, Robert M.; Kühn, Fritz E","Macrocyclic NHC complexes of group 10 elements with enlarged aromaticity for biological studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14106","14114","10.1039/d0dt02598d","","x-ray","0.71073","MoKα","","0.0446","0.0378","","","0.083","0.0857","","","","","","1.138","","","","has coordinates,has disorder","258850","2020-11-06","12:18:08",""
"7705593","11.3026","0.0009","11.4231","0.0008","16.8559","0.0011","107.288","0.003","109.258","0.003","93.842","0.003","1928.5","0.2","100","","100","","","","","","","","see text","7","P -1","-P 1","2","","","","- C34 H24 F6 N8 O6 Pt S2 -","- C34 H24 F6 N8 O6 Pt S2 -","- C68 H48 F12 N16 O12 Pt2 S4 -","2","1","","Bernd, Marco A.; Bauer, Elisabeth B.; Oberkofler, Jens; Bauer, Andreas; Reich, Robert M.; Kühn, Fritz E","Macrocyclic NHC complexes of group 10 elements with enlarged aromaticity for biological studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14106","14114","10.1039/d0dt02598d","","x-ray","0.71073","MoKα","","0.0451","0.0424","","","0.0977","0.0987","","","","","","1.161","","","","has coordinates,has disorder","258850","2020-11-06","12:18:08",""
"7705594","23.2563","0.0007","8.9664","0.0003","22.4002","0.0007","90","","105.104","0.003","90","","4509.6","0.3","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 Au Cl4 N2 -","- C24 H17 Au Cl4 N2 -","- C192 H136 Au8 Cl32 N16 -","8","1","","Tashiro, Shohei; Shimizu, Shun; Kuritani, Masumi; Shionoya, Mitsuhiko","Protonation-induced self-assembly of bis-phenanthroline macrocycles into nanofibers arrayed with tetrachloroaurate, hexachloroplatinate or phosphomolybdate ions.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13948","13953","10.1039/d0dt03287e","","","0.71075","MoKα","","0.0195","0.0173","","","0.0403","0.0409","","","","","","1.036","","","","has coordinates","258858","2020-11-06","12:20:06",""
"7705595","12.2456","0.00012","12.336","0.00015","13.6994","0.00018","115.98","0.0012","95.1937","0.0009","102.833","0.0009","1771.73","0.04","93","","93","","","","","","","","","6","P 1","P 1","1","","","","- C54 H49 Mo12 N6 O42 P -","- C54 H49 Mo12 N6 O42 P -","- C54 H49 Mo12 N6 O42 P -","1","1","","Tashiro, Shohei; Shimizu, Shun; Kuritani, Masumi; Shionoya, Mitsuhiko","Protonation-induced self-assembly of bis-phenanthroline macrocycles into nanofibers arrayed with tetrachloroaurate, hexachloroplatinate or phosphomolybdate ions.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13948","13953","10.1039/d0dt03287e","","","0.71073","MoKα","","0.0332","0.0329","","","0.0835","0.0843","","","","","","1.033","","","","has coordinates","258858","2020-11-06","12:20:06",""
"7705596","12.2029","0.0002","13.3559","0.0002","13.8683","0.0002","80.7745","0.0014","67.0066","0.0017","80.4839","0.0016","2040.61","0.06","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 Cl6 N4 Pt -","- C48 H34 Cl6 N4 Pt -","- C96 H68 Cl12 N8 Pt2 -","2","1","","Tashiro, Shohei; Shimizu, Shun; Kuritani, Masumi; Shionoya, Mitsuhiko","Protonation-induced self-assembly of bis-phenanthroline macrocycles into nanofibers arrayed with tetrachloroaurate, hexachloroplatinate or phosphomolybdate ions.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","13948","13953","10.1039/d0dt03287e","","","0.71073","MoKα","","0.0326","0.026","","","0.0527","0.0544","","","","","","1.035","","","","has coordinates","258858","2020-11-06","12:20:06",""
"7705597","5.407","0.0013","8.507","0.003","11.507","0.005","109.32","0.03","93.16","0.03","96.25","0.03","494.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-Methyl-7-(2-pyrazinyl)-2<i>H</i>-[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]-triazole hydrate","","- C8 H9 N7 O -","- C8 H9 N7 O -","- C16 H18 N14 O2 -","2","1","","Parisi, Emmanuele; Capasso, Domenica; Capobianco, Amedeo; Peluso, Andrea; Di Gaetano, Sonia; Fusco, Sandra; Manfredi, Carla; Mozzillo, Rosaria; Pinto, Gabriella; Centore, Roberto","Tautomeric and conformational switching in a new versatile N-rich heterocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14452","14462","10.1039/d0dt02572k","","x-ray","0.71073","MoKα","","0.0755","0.049","","","0.1198","0.138","","","","","","1.053","","","","has coordinates","258791","2020-11-06","11:58:06",""
"7705598","6.852","0.0009","9.194","0.0017","10.155","0.0016","72.687","0.018","81.788","0.018","86.177","0.014","604.29","0.18","293","2","293","2","","","","","","","Slow cooling to room temperature of a hot saturated NaOH water solution.","5","P -1","-P 1","2","","Sodium 4-Methyl-7-(2-pyrazinyl)-[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]-triazolate","","- C8 H12 N7 Na O3 -","- C8 H12 N7 Na O3 -","- C16 H24 N14 Na2 O6 -","2","1","","Parisi, Emmanuele; Capasso, Domenica; Capobianco, Amedeo; Peluso, Andrea; Di Gaetano, Sonia; Fusco, Sandra; Manfredi, Carla; Mozzillo, Rosaria; Pinto, Gabriella; Centore, Roberto","Tautomeric and conformational switching in a new versatile N-rich heterocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14452","14462","10.1039/d0dt02572k","","x-ray","0.71073","MoKα","","0.0571","0.0384","","","0.0908","0.0997","","","","","","1.06","","","","has coordinates","258791","2020-11-06","11:58:10",""
"7705599","9.282","0.003","10.5","0.009","13.206","0.012","107.35","0.07","90.6","0.06","101.75","0.04","1199.3","1.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Bis([4-Methyl-7-(2-pyrazinyl)-3<i>H</i>-[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]-triazole k^2^-N1,N6-k^1^-N2'-triaquo-k^1^-N7-pentabromodizincate]Zinc(II)) dihydrate","","- C16 H30 Br12 N14 O8 Zn6 -","- C16 H30 Br12 N14 O8 Zn6 -","- C16 H30 Br12 N14 O8 Zn6 -","1","0.5","","Parisi, Emmanuele; Capasso, Domenica; Capobianco, Amedeo; Peluso, Andrea; Di Gaetano, Sonia; Fusco, Sandra; Manfredi, Carla; Mozzillo, Rosaria; Pinto, Gabriella; Centore, Roberto","Tautomeric and conformational switching in a new versatile N-rich heterocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14452","14462","10.1039/d0dt02572k","","x-ray","0.71073","MoKα","","0.1301","0.0602","","","0.1082","0.1316","","","","","","1.018","","","","has coordinates","258791","2020-11-06","11:58:19",""
"7705600","8.787","0.0017","16.25","0.004","41.341","0.007","90","","90","","90","","5903","2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","4-Methyl-7-(2-pyrazinyl)-2<i>H</i>-3<i>H</i>-7<i>H</i>[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]-triazolium tetrachlorozincate","","- C16 H18 Cl8 N14 Zn2 -","- C16 H18 Cl8 N14 Zn2 -","- C128 H144 Cl64 N112 Zn16 -","8","1","","Parisi, Emmanuele; Capasso, Domenica; Capobianco, Amedeo; Peluso, Andrea; Di Gaetano, Sonia; Fusco, Sandra; Manfredi, Carla; Mozzillo, Rosaria; Pinto, Gabriella; Centore, Roberto","Tautomeric and conformational switching in a new versatile N-rich heterocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14452","14462","10.1039/d0dt02572k","","x-ray","0.71073","MoKα","","0.0928","0.0686","","","0.1662","0.1768","","","","","","1.161","","","","has coordinates,has disorder","258791","2020-11-06","11:58:21",""
"7705601","12.137","0.0019","15.25","0.0011","10.851","0.003","90","","90","","90","","2008.4","0.7","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-Methyl-7-(2-pyrazinyl)-2<i>H</i>-3<i>H</i>-7<i>H</i>[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]-triazolium hexachlorostannate dihydrate","","- C8 H13 Cl6 N7 O2 Sn -","- C8 H13 Cl6 N7 O2 Sn -","- C32 H52 Cl24 N28 O8 Sn4 -","4","1","","Parisi, Emmanuele; Capasso, Domenica; Capobianco, Amedeo; Peluso, Andrea; Di Gaetano, Sonia; Fusco, Sandra; Manfredi, Carla; Mozzillo, Rosaria; Pinto, Gabriella; Centore, Roberto","Tautomeric and conformational switching in a new versatile N-rich heterocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14452","14462","10.1039/d0dt02572k","","x-ray","0.71073","MoKα","","0.0295","0.0231","","","0.0514","0.055","","","","","","1.075","","","","has coordinates,has disorder","258791","2020-11-06","11:58:21",""
"7705602","5.29","0.002","16.438","0.004","12.291","0.004","90","","107.96","0.02","90","","1016.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methyl-7-(2-pyrazinyl)-2<i>H</i>-3<i>H</i>[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]-triazolium chloride","","- C8 H8 Cl N7 -","- C8 H8 Cl N7 -","- C32 H32 Cl4 N28 -","4","1","","Parisi, Emmanuele; Capasso, Domenica; Capobianco, Amedeo; Peluso, Andrea; Di Gaetano, Sonia; Fusco, Sandra; Manfredi, Carla; Mozzillo, Rosaria; Pinto, Gabriella; Centore, Roberto","Tautomeric and conformational switching in a new versatile N-rich heterocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14452","14462","10.1039/d0dt02572k","","x-ray","0.71073","MoKα","","0.0997","0.0485","","","0.0862","0.1022","","","","","","1.022","","","","has coordinates","258791","2020-11-06","11:58:21",""
"7705603","10.745","0.002","11.371","0.003","12.811","0.002","71.003","0.012","76.242","0.015","73.412","0.016","1400.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis([4-Methyl-7-(2-pyrazinyl)-3<i>H</i>-[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]-triazole k^2^-N1,N6-k^1^-N2']dichlorideZinc(II)) pentahydrate","","- C32 H48 Cl8 Cu4 N28 O10 -","- C32 H48 Cl8 Cu4 N28 O10 -","- C32 H48 Cl8 Cu4 N28 O10 -","1","0.5","","Parisi, Emmanuele; Capasso, Domenica; Capobianco, Amedeo; Peluso, Andrea; Di Gaetano, Sonia; Fusco, Sandra; Manfredi, Carla; Mozzillo, Rosaria; Pinto, Gabriella; Centore, Roberto","Tautomeric and conformational switching in a new versatile N-rich heterocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14452","14462","10.1039/d0dt02572k","","x-ray","0.71073","MoKα","","0.0708","0.0405","","","0.0861","0.0978","","","","","","1.004","","","","has coordinates,has disorder","258791","2020-11-06","11:58:21",""
"7705604","17.0016","0.0014","17.0493","0.0014","16.9889","0.0014","90","","102.567","0.001","90","","4806.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H43 I2 N3 P2 Pd -","- C53 H43 I2 N3 P2 Pd -","- C212 H172 I8 N12 P8 Pd4 -","4","1","","Tyagi, Akshi; Reshi, Noor U Din; Daw, Prosenjit; Bera, Jitendra K.","Palladium complexes with an annellated mesoionic carbene (MIC) ligand: catalytic sequential Sonogashira coupling/cyclization reaction for one-pot synthesis of benzofuran, indole, isocoumarin and isoquinolone derivatives.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15238","15248","10.1039/d0dt02918a","","","0.71073","MoKα","","0.1455","0.0625","","","0.1193","0.147","","","","","","1.017","","","","has coordinates","260741","2021-01-07","06:13:51",""
"7705605","13.1613","0.0012","14.5225","0.0012","31.355","0.003","90","","97.944","0.002","90","","5935.5","0.9","100","2","100.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56 H49 Cl6 F12 N3 O P4 Pd -","- C55 H47 Cl4 F12 N3 P4 Pd -","- C220 H188 Cl16 F48 N12 P16 Pd4 -","4","1","","Tyagi, Akshi; Reshi, Noor U Din; Daw, Prosenjit; Bera, Jitendra K.","Palladium complexes with an annellated mesoionic carbene (MIC) ligand: catalytic sequential Sonogashira coupling/cyclization reaction for one-pot synthesis of benzofuran, indole, isocoumarin and isoquinolone derivatives.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15238","15248","10.1039/d0dt02918a","","","0.71073","MoKα","","0.0831","0.0495","","","0.1","0.1111","","","","","","1.018","","","","has coordinates","260741","2021-01-07","06:14:00",""
"7705606","14.2828","0.0003","15.1493","0.0003","15.1514","0.0003","96.633","0.002","95.263","0.002","109.145","0.002","3046.84","0.12","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C66 H62 B2 Ca F15 N2 P -","- C66 H62 B2 Ca F15 N2 P -","- C132 H124 B4 Ca2 F30 N4 P2 -","2","1","","Morris, Louis J.; Rajabi, Nasir A.; Hill, Michael S.; Manners, Ian; McMullin, Claire L.; Mahon, Mary F.","Phosphinoborane interception at magnesium by borane-assisted phosphine-borane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14584","14591","10.1039/d0dt03415k","","x-ray","1.54184","CuKα","","0.0482","0.0371","","","0.0879","0.0928","","","","","","1.036","","","","has coordinates","258784","2020-11-06","11:56:21",""
"7705607","13.4493","0.0001","22.3275","0.0001","22.2182","0.0001","90","","95.912","0.001","90","","6636.4","0.07","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C71 H66 B3 F15 Mg N2 P2 -","- C71 H66 B3 F15 Mg N2 P2 -","- C284 H264 B12 F60 Mg4 N8 P8 -","4","1","","Morris, Louis J.; Rajabi, Nasir A.; Hill, Michael S.; Manners, Ian; McMullin, Claire L.; Mahon, Mary F.","Phosphinoborane interception at magnesium by borane-assisted phosphine-borane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14584","14591","10.1039/d0dt03415k","","x-ray","1.54184","CuKα","","0.0423","0.0377","","","0.0972","0.1006","","","","","","1.029","","","","has coordinates","258784","2020-11-06","11:56:21",""
"7705608","30.306","0.002","26.652","0.002","32.356","0.003","90","","90","","90","","26134","4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C92.5 H176.5 Cd Fe8 O44.5 -","- C92.5 H176.5 Cd0.9999 Fe8 O44.5 -","- C740 H1412 Cd7.9992 Fe64 O356 -","8","1","","Lutsenko, Irina A.; Kiskin, Mikhail A.; Lysenko, Konstantin A.; Zueva, Ekaterina M.; Efimov, Nikolay N.; Ugolkova, Elena A.; Maksimov, Yurii V.; Imshennik, Vladimir K.; Petrova, Maria M.; Sidorov, Aleksey A.; Eremenko, Igor L.","A new heterometallic pivalate {Fe<sub>8</sub>Cd} complex as an example of unusual ""ferric wheel"" molecular self-assembly.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15175","15179","10.1039/d0dt03142a","","","0.71073","MoKα","","0.1788","0.0815","","","0.1874","0.2316","","","","","","1.091","","","","has coordinates,has disorder","260737","2021-01-07","06:13:19",""
"7705609","13.9885","0.0006","16.7416","0.0007","20.1362","0.0007","90","","90","","90","","4715.7","0.3","93","","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H64 Au2 Cl2 O2 P2 -","- C50 H64 Au2 Cl2 O2 P2 -","- C200 H256 Au8 Cl8 O8 P8 -","4","1","","Osawa, Masahisa; Soma, Sakie; Hoshino, Mikio; Tanaka, Yuya; Akita, Munetaka","Photoluminescent properties and molecular structures of dinuclear gold(I) complexes with bridged diphosphine ligands: near-unity phosphorescence from <sup>3</sup>XMMCT/<sup>3</sup>MC.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15204","15212","10.1039/d0dt03144e","","x-ray","0.71073","MoKα","","0.034","0.0291","","","0.0602","0.0614","","","","","","1.043","","","","has coordinates","260743","2021-01-07","06:14:58",""
"7705610","14.0829","0.0007","16.7889","0.0007","20.2432","0.0008","90","","90","","90","","4786.2","0.4","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H64 Au2 Br2 O2 P2 -","- C50 H64 Au2 Br2 O2 P2 -","- C200 H256 Au8 Br8 O8 P8 -","4","1","","Osawa, Masahisa; Soma, Sakie; Hoshino, Mikio; Tanaka, Yuya; Akita, Munetaka","Photoluminescent properties and molecular structures of dinuclear gold(I) complexes with bridged diphosphine ligands: near-unity phosphorescence from <sup>3</sup>XMMCT/<sup>3</sup>MC.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15204","15212","10.1039/d0dt03144e","","x-ray","0.71073","MoKα","","0.0393","0.0311","","","0.059","0.0606","","","","","","1.042","","","","has coordinates","260743","2021-01-07","06:15:02",""
"7705611","29.5244","0.0005","28.5111","0.0005","11.30808","0.00018","90","","90","","90","","9518.8","0.3","93","2","93","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C48 H60 Au2 I2 O2 P2 -","- C48 H60 Au2 I2 O2 P2 -","- C384 H480 Au16 I16 O16 P16 -","8","0.5","","Osawa, Masahisa; Soma, Sakie; Hoshino, Mikio; Tanaka, Yuya; Akita, Munetaka","Photoluminescent properties and molecular structures of dinuclear gold(I) complexes with bridged diphosphine ligands: near-unity phosphorescence from <sup>3</sup>XMMCT/<sup>3</sup>MC.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15204","15212","10.1039/d0dt03144e","","x-ray","0.71073","MoKα","","0.0142","0.0134","","","0.0287","0.0288","","","","","","1.034","","","","has coordinates","260743","2021-01-07","06:15:13",""
"7705612","14.06858","0.00018","17.0216","0.0002","20.3878","0.0002","90","","90","","90","","4882.26","0.1","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H64 Au2 I2 O2 P2 -","- C50 H64 Au2 I2 O2 P2 -","- C200 H256 Au8 I8 O8 P8 -","4","1","","Osawa, Masahisa; Soma, Sakie; Hoshino, Mikio; Tanaka, Yuya; Akita, Munetaka","Photoluminescent properties and molecular structures of dinuclear gold(I) complexes with bridged diphosphine ligands: near-unity phosphorescence from <sup>3</sup>XMMCT/<sup>3</sup>MC.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15204","15212","10.1039/d0dt03144e","","x-ray","0.71073","MoKα","","0.0211","0.0179","","","0.0302","0.0306","","","","","","1.041","","","","has coordinates","260743","2021-01-07","06:15:22",""
"7705613","27.514","0.003","6.047","0.0006","26.88","0.004","90","","101.63","0.012","90","","4380.4","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H45 Fe3 N3 -","- C57 H45 Fe3 N3 -","- C228 H180 Fe12 N12 -","4","1","","Kasprzak, Artur; Guńka, Piotr A; Kowalczyk, Agata; Nowicka, Anna M.","Synthesis and structural, electrochemical and photophysical studies of triferrocenyl-substituted 1,3,5-triphenylbenzene: a cyan-light emitting molecule showing aggregation-induced enhanced emission.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14807","14814","10.1039/d0dt02948c","","x-ray","0.71073","MoKα","","0.1931","0.0949","","","0.1686","0.198","","","","","","0.933","","","","has coordinates","258812","2020-11-06","12:05:45",""
"7705614","16.927","0.003","20.121","0.004","55.331","0.011","90","","90","","90","","18845","6","293","2","293","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C128 H192 B8 F32 N16 Pd4 Si16 -","- C128 H192 B8 F32 N16 Pd4 Si16 -","- C512 H768 B32 F128 N64 Pd16 Si64 -","4","0.125","","Lee, Jeyeong; Lim, Sangwoo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Flexibility and anion exchange of [(X)@Pd<sub>2</sub>L<sub>4</sub>] cages for recognition of size and charge of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15002","15008","10.1039/d0dt03005h","","","0.8","synchrotron","","0.1583","0.1026","","","0.255","0.2861","","","","","","1.157","","","","has coordinates,has disorder","258803","2020-11-06","12:02:02",""
"7705615","20.087","0.004","16.899","0.003","29.527","0.006","90","","109.4","0.03","90","","9454","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C65 H100 N8 O13 Pd2 Re3 Si8 -","- C65 H100 N8 O13 Pd2 Re3 Si8 -","- C260 H400 N32 O52 Pd8 Re12 Si32 -","4","0.5","","Lee, Jeyeong; Lim, Sangwoo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Flexibility and anion exchange of [(X)@Pd<sub>2</sub>L<sub>4</sub>] cages for recognition of size and charge of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15002","15008","10.1039/d0dt03005h","","","0.7","synchrotron","","0.1476","0.1213","","","0.3244","0.3429","","","","","","2.121","","","","has coordinates,has disorder","258803","2020-11-06","12:02:03",""
"7705616","16.586","0.003","19.95","0.004","57.908","0.012","90","","90","","90","","19161","7","293","2","293","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C64 H96 F24 N8 P4 Pd2 Si8 -","- C64 H96 F24 N8 P4 Pd2 Si8 -","- C512 H768 F192 N64 P32 Pd16 Si64 -","8","0.25","","Lee, Jeyeong; Lim, Sangwoo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Flexibility and anion exchange of [(X)@Pd<sub>2</sub>L<sub>4</sub>] cages for recognition of size and charge of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15002","15008","10.1039/d0dt03005h","","","0.65","synchrotron","","0.0996","0.0949","","","0.2909","0.2974","","","","","","1.131","","","","has coordinates,has disorder","258803","2020-11-06","12:02:03",""
"7705617","17.554","0.003","17.554","0.003","18.597","0.004","90","","90","","90","","5730.5","1.9","173","2","173","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C80 H144 F12 N8 O8 Pd2 S8 Si10 -","- C80 H144 F12 N8 O8 Pd2 S8 Si10 -","- C160 H288 F24 N16 O16 Pd4 S16 Si20 -","2","0.25","","Lee, Jeyeong; Lim, Sangwoo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Flexibility and anion exchange of [(X)@Pd<sub>2</sub>L<sub>4</sub>] cages for recognition of size and charge of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15002","15008","10.1039/d0dt03005h","","","0.71073","MoKα","","0.0821","0.0536","","","0.1341","0.1646","","","","","","1.076","","","","has coordinates","258803","2020-11-06","12:02:03",""
"7705618","16.8262","0.0016","20.1636","0.0016","55.633","0.006","90","","90","","90","","18875","3","173","2","173","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C64 H94 Cl4 N8 O16 Pd2 Si8 -","- C64 H94 Cl4 N8 O16 Pd2 Si8 -","- C512 H752 Cl32 N64 O128 Pd16 Si64 -","8","0.5","","Lee, Jeyeong; Lim, Sangwoo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Flexibility and anion exchange of [(X)@Pd<sub>2</sub>L<sub>4</sub>] cages for recognition of size and charge of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15002","15008","10.1039/d0dt03005h","","","0.71073","MoKα","","0.0774","0.0602","","","0.178","0.1996","","","","","","1.037","","","","has coordinates,has disorder","258803","2020-11-06","12:02:03",""
"7705619","21.715","0.003","9.1945","0.0012","22.326","0.003","90","","101.356","0.004","90","","4370.3","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H4 N2 O17 Y2 -","- C16 H8 N2 O14 Y2 -","- C128 H64 N16 O112 Y16 -","8","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.0947","0.0663","","","0.1833","0.1998","","","","","","1.13","","","","has coordinates","258816","2020-11-06","12:07:26",""
"7705620","18.3663","0.0007","6.8962","0.0003","18.4474","0.0007","90","","112.176","0.0014","90","","2163.67","0.15","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Eu0.79 N2 O18 Y1.21 -","- C16 H16 Eu0.7854 N2 O18 Y1.2146 -","- C64 H64 Eu3.1416 N8 O72 Y4.8584 -","4","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.0164","0.0149","","","0.0326","0.033","","","","","","1.151","","","","has coordinates","258816","2020-11-06","12:07:31",""
"7705621","18.3118","0.0005","6.8759","0.0001","18.3669","0.0004","90","","112.222","0.0009","90","","2140.82","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Eu0.03 N2 O18 Y1.97 -","- C16 H16 Eu0.026 N2 O18 Y1.974 -","- C64 H64 Eu0.104 N8 O72 Y7.896 -","4","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.039","0.0284","","","0.0583","0.0613","","","","","","1.073","","","","has coordinates","258816","2020-11-06","12:07:43",""
"7705622","18.3456","0.0016","6.8867","0.0006","18.3909","0.0016","90","","112.165","0.003","90","","2151.8","0.3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Eu0.39 N2 O18 Y1.61 -","- C16 H16 Eu0.39 N2 O18 Y1.61 -","- C64 H64 Eu1.56 N8 O72 Y6.44 -","4","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.0297","0.0231","","","0.0494","0.051","","","","","","1.083","","","","has coordinates","258816","2020-11-06","12:07:46",""
"7705623","18.329","0.004","6.8971","0.0018","18.442","0.004","90","","112.2","0.009","90","","2158.6","0.9","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Eu0.57 N2 O18 Y1.43 -","- C16 H16 Eu0.567 N2 O18 Y1.433 -","- C64 H64 Eu2.268 N8 O72 Y5.732 -","4","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.0294","0.023","","","0.0423","0.0439","","","","","","1.088","","","","has coordinates","258816","2020-11-06","12:07:46",""
"7705624","18.426","0.004","6.892","0.0016","18.538","0.004","90","","111.999","0.009","90","","2182.8","0.8","303","2","303","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Eu2 N2 O18 -","- C16 H16 Eu2 N2 O18 -","- C64 H64 Eu8 N8 O72 -","4","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.017","0.0159","","","0.037","0.0373","","","","","","1.161","","","","has coordinates","258816","2020-11-06","12:07:46",""
"7705625","18.3352","0.0009","6.8838","0.0004","18.3844","0.0009","90","","112.22","","90","","2148.09","0.19","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Eu0.18 N2 O18 Y1.82 -","- C16 H16 Eu0.1779 N2 O18 Y1.8221 -","- C64 H64 Eu0.7116 N8 O72 Y7.2884 -","4","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.024","0.0197","","","0.0433","0.0446","","","","","","1.074","","","","has coordinates","258816","2020-11-06","12:07:46",""
"7705626","18.3578","0.0007","6.9013","0.0003","18.4646","0.0008","90","","112.157","0.0011","90","","2166.58","0.16","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Eu0.98 N2 O18 Y1.02 -","- C16 H16 Eu0.98 N2 O18 Y1.02 -","- C64 H64 Eu3.92 N8 O72 Y4.08 -","4","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.0246","0.0208","","","0.0431","0.0442","","","","","","1.047","","","","has coordinates","258816","2020-11-06","12:07:46",""
"7705627","18.356","0.003","6.8895","0.0013","18.502","0.003","90","","112.176","0.007","90","","2166.8","0.7","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Eu1.1 N2 O18 Y0.9 -","- C16 H16 Eu1.097 N2 O18 Y0.903 -","- C64 H64 Eu4.388 N8 O72 Y3.612 -","4","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.0254","0.0216","","","0.041","0.0418","","","","","","1.13","","","","has coordinates","258816","2020-11-06","12:07:46",""
"7705628","18.3854","0.0004","6.907","0.0002","18.5103","0.0005","90","","112.091","0.0008","90","","2178.03","0.1","303","2","303","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Eu1.32 N2 O18 Y0.68 -","- C16 H16 Eu1.321 N2 O18 Y0.679 -","- C64 H64 Eu5.284 N8 O72 Y2.716 -","4","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.0162","0.015","","","0.0316","0.0319","","","","","","1.158","","","","has coordinates","258816","2020-11-06","12:07:46",""
"7705629","18.3931","0.0012","6.9087","0.0005","18.5133","0.0012","90","","112.056","0.002","90","","2180.4","0.3","306","2","306","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Eu1.49 N2 O18 Y0.51 -","- C16 H16 Eu1.49 N2 O18 Y0.51 -","- C64 H64 Eu5.96 N8 O72 Y2.04 -","4","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.0189","0.016","","","0.0361","0.0369","","","","","","1.104","","","","has coordinates","258816","2020-11-06","12:07:46",""
"7705630","18.3079","0.0004","6.8784","0.0002","18.3684","0.0004","90","","112.196","0.0008","90","","2141.7","0.09","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Eu0.12 N2 O18 Y1.88 -","- C16 H16 Eu0.12 N2 O18 Y1.88 -","- C64 H64 Eu0.48 N8 O72 Y7.52 -","4","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.0358","0.0251","","","0.0561","0.0598","","","","","","1.066","","","","has coordinates","258816","2020-11-06","12:07:46",""
"7705631","18.4125","0.001","6.908","0.0003","18.5353","0.001","90","","112.039","0.0018","90","","2185.31","0.19","303","2","303","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Eu1.64 N2 O18 Y0.36 -","- C16 H16 Eu1.641 N2 O18 Y0.359 -","- C64 H64 Eu6.564 N8 O72 Y1.436 -","4","1","","Gao, Xu-Sheng; Ding, Mei-Juan; Zhang, Jin; Zhao, Li-Duo; Ren, Xiao-Ming","Phase selectivity and tunable photophysical nature of rare earth metal-organic frameworks of Eu<sub> <i>x</i> </sub>Y<sub>1-<i>x</i></sub>-PTC (H<sub>3</sub>PTC = 2,4,6-pyridine tricarboxylic acid; <i>x</i> = 0-1).","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14985","14994","10.1039/d0dt03150j","","","0.71073","MoKα","","0.0168","0.0157","","","0.0336","0.0339","","","","","","1.178","","","","has coordinates","258816","2020-11-06","12:07:46",""
"7705632","10.568","0.005","11.825","0.005","21.385","0.005","81.66","0.005","85.142","0.005","67.475","0.005","2441.2","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H62 N2 O2 Ru S2 -","- C54 H62 N2 O2 Ru S2 -","- C108 H124 N4 O4 Ru2 S4 -","2","1","","Saha, Anannya; Rajput, Amit; Gupta, Puneet; Mukherjee, Rabindranath","Probing the electronic structure of [Ru(L<sup>1</sup>)<sub>2</sub>]<sup> <i>Z</i> </sup> (<i>z</i> = 0, 1+ and 2+) (H<sub>2</sub>L<sup>1</sup>: a tridentate 2-aminophenol derivative) complexes in three ligand redox levels.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15355","15375","10.1039/d0dt03074k","","","0.71073","MoKα","","0.1289","0.0731","","","0.1579","0.1825","","","","","","1.026","","","","has coordinates","260736","2021-01-07","06:12:55",""
"7705633","15.4686","0.0003","21.8136","0.0003","17.1423","0.0003","90","","109.838","0.002","90","","5440.99","0.17","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C55 H63 Cl2 F6 N2 O3 P Ru S2 -","- C55 H63 Cl2 F6 N2 O3 P Ru S2 -","- C220 H252 Cl8 F24 N8 O12 P4 Ru4 S8 -","4","1","","Saha, Anannya; Rajput, Amit; Gupta, Puneet; Mukherjee, Rabindranath","Probing the electronic structure of [Ru(L<sup>1</sup>)<sub>2</sub>]<sup> <i>Z</i> </sup> (<i>z</i> = 0, 1+ and 2+) (H<sub>2</sub>L<sup>1</sup>: a tridentate 2-aminophenol derivative) complexes in three ligand redox levels.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15355","15375","10.1039/d0dt03074k","","x-ray","1.54184","CuKα","","0.0686","0.0658","","","0.189","0.1934","","","","","","1.047","","","","has coordinates,has disorder","260736","2021-01-07","06:12:55",""
"7705634","15.1356","0.0003","21.871","0.0003","16.8585","0.0003","90","","109.946","0.002","90","","5245.92","0.17","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H62 B2 F8 N2 O3.7 Ru S2 -","- C54 H62 B2 F8 N2 O3.7 Ru S2 -","- C216 H248 B8 F32 N8 O14.8 Ru4 S8 -","4","1","","Saha, Anannya; Rajput, Amit; Gupta, Puneet; Mukherjee, Rabindranath","Probing the electronic structure of [Ru(L<sup>1</sup>)<sub>2</sub>]<sup> <i>Z</i> </sup> (<i>z</i> = 0, 1+ and 2+) (H<sub>2</sub>L<sup>1</sup>: a tridentate 2-aminophenol derivative) complexes in three ligand redox levels.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15355","15375","10.1039/d0dt03074k","","x-ray","1.54184","CuKα","","0.0865","0.0835","","","0.2288","0.2324","","","","","","1.032","","","","has coordinates","260736","2021-01-07","06:12:55",""
"7705635","15.3134","0.0005","22.0442","0.0006","17.069","0.0005","90","","110.04","0.003","90","","5413.1","0.3","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H62 B2 F8 N2 O3 Ru S2 -","- C54 H62 B2 F8 N2 O3 Ru S2 -","- C216 H248 B8 F32 N8 O12 Ru4 S8 -","4","1","","Saha, Anannya; Rajput, Amit; Gupta, Puneet; Mukherjee, Rabindranath","Probing the electronic structure of [Ru(L<sup>1</sup>)<sub>2</sub>]<sup> <i>Z</i> </sup> (<i>z</i> = 0, 1+ and 2+) (H<sub>2</sub>L<sup>1</sup>: a tridentate 2-aminophenol derivative) complexes in three ligand redox levels.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15355","15375","10.1039/d0dt03074k","","x-ray","1.54184","CuKα","","0.077","0.0732","","","0.2107","0.216","","","","","","1.05","","","","has coordinates","260736","2021-01-07","06:12:55",""
"7705636","15.6743","0.0002","21.9974","0.0002","17.5755","0.0002","90","","110.007","0.002","90","","5694.21","0.13","298","2","298","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C55 H66 Cl2 F5.99 N2 O3 P Ru S2 -","- C55 H62 Cl2 F6.049 N2 O3 P Ru S2 -","- C220 H248 Cl8 F24.196 N8 O12 P4 Ru4 S8 -","4","1","","Saha, Anannya; Rajput, Amit; Gupta, Puneet; Mukherjee, Rabindranath","Probing the electronic structure of [Ru(L<sup>1</sup>)<sub>2</sub>]<sup> <i>Z</i> </sup> (<i>z</i> = 0, 1+ and 2+) (H<sub>2</sub>L<sup>1</sup>: a tridentate 2-aminophenol derivative) complexes in three ligand redox levels.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15355","15375","10.1039/d0dt03074k","","x-ray","1.54184","CuKα","","0.0672","0.0632","","","0.1976","0.2036","","","","","","1.018","","","","has coordinates,has disorder","260736","2021-01-07","06:12:55",""
"7705637","10.489","0.002","11.622","0.002","21.239","0.004","82.011","0.003","84.971","0.004","67.666","0.004","2369.9","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H62 N2 O2 Ru S2 -","- C54 H62 N2 O2 Ru S2 -","- C108 H124 N4 O4 Ru2 S4 -","2","1","","Saha, Anannya; Rajput, Amit; Gupta, Puneet; Mukherjee, Rabindranath","Probing the electronic structure of [Ru(L<sup>1</sup>)<sub>2</sub>]<sup> <i>Z</i> </sup> (<i>z</i> = 0, 1+ and 2+) (H<sub>2</sub>L<sup>1</sup>: a tridentate 2-aminophenol derivative) complexes in three ligand redox levels.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15355","15375","10.1039/d0dt03074k","","","0.71073","MoKα","","0.0789","0.0567","","","0.1276","0.1448","","","","","","1.027","","","","has coordinates","260736","2021-01-07","06:12:55",""
"7705638","19.8684","0.0008","9.9816","0.0004","17.736","0.0007","90","","113.184","0.0015","90","","3233.3","0.2","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Cl4 N2 O P Pt S2 -","- C30 H27 Cl4 N2 O P Pt S2 -","- C120 H108 Cl16 N8 O4 P4 Pt4 S8 -","4","1","","Imran, Muhammad; Rehman, Zia Ur; Hogarth, Graeme; Tocher, Derek A.; Chaudhry, Gul-E-Saba; Butler, Ian S.; Bélanger-Gariepy, Francine; Kondratyuk, Tamara","Two new monofunctional platinum(II) dithiocarbamate complexes: <i>phenanthriplatin</i>-type axial protection, equatorial-axial conformational isomerism, and anticancer and DNA binding studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15385","15396","10.1039/d0dt03018j","","x-ray","1.34139","GaKα","","0.0344","0.0321","","","0.0842","0.0861","","","","","","1.098","","","","has coordinates","260740","2021-01-07","06:13:42",""
"7705639","11.74447","0.00017","18.5199","0.0002","14.4446","0.0002","90","","109.796","0.0016","90","","2956.13","0.07","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 Cl4 N4 P Pt S2 -","- C27 H23 Cl4 N4 P Pt S2 -","- C108 H92 Cl16 N16 P4 Pt4 S8 -","4","1","","Imran, Muhammad; Rehman, Zia Ur; Hogarth, Graeme; Tocher, Derek A.; Chaudhry, Gul-E-Saba; Butler, Ian S.; Bélanger-Gariepy, Francine; Kondratyuk, Tamara","Two new monofunctional platinum(II) dithiocarbamate complexes: <i>phenanthriplatin</i>-type axial protection, equatorial-axial conformational isomerism, and anticancer and DNA binding studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15385","15396","10.1039/d0dt03018j","","x-ray","0.71073","MoKα","","0.0198","0.0178","","","0.0401","0.041","","","","","","1.09","","","","has coordinates","260740","2021-01-07","06:13:43",""
"7705640","12.2208","0.0004","13.7998","0.0004","19.7289","0.0007","94.577","0.002","99.474","0.002","105.841","0.002","3129.76","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H76 Dy N O7 -","- C66 H76 Dy N O7 -","- C132 H152 Dy2 N2 O14 -","2","1","","Kalita, Pankaj; Nayak, Prakash; Ahmed, Naushad; Herrera, Juan Manuel; Venkatasubbaiah, Krishnan; Colacio, Enrique; Chandrasekhar, Vadapalli","Seven-coordinate Ln<sup>III</sup> complexes assembled from a bulky <sup> <i>Mes</i> </sup>acacH ligand: their synthesis, structure, photoluminescence and SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15404","15416","10.1039/d0dt03054f","","x-ray","0.71073","MoKα","","0.0543","0.0365","","","0.0789","0.0866","","","","","","1.013","","","","has coordinates","260746","2021-01-07","06:16:08",""
"7705641","12.5954","0.0004","23.3723","0.0007","20.4784","0.0006","90","","99.867","0.003","90","","5939.3","0.3","120.02","0.1","120.02","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H76 Dy0.09 N O7 Y0.91 -","- C66 H76 Dy0.091 N O7 Y0.909 -","- C264 H304 Dy0.364 N4 O28 Y3.636 -","4","1","","Kalita, Pankaj; Nayak, Prakash; Ahmed, Naushad; Herrera, Juan Manuel; Venkatasubbaiah, Krishnan; Colacio, Enrique; Chandrasekhar, Vadapalli","Seven-coordinate Ln<sup>III</sup> complexes assembled from a bulky <sup> <i>Mes</i> </sup>acacH ligand: their synthesis, structure, photoluminescence and SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15404","15416","10.1039/d0dt03054f","","x-ray","0.71073","MoKα","","0.1049","0.0624","","","0.1112","0.1178","","","","","","1.072","","","","has coordinates","260746","2021-01-07","06:16:08",""
"7705642","12.5323","0.0002","19.8358","0.0003","25.8063","0.0004","106.578","0.001","94.751","0.001","91.386","0.001","6119.67","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H76 Er N O7 -","- C66 H76 Er N O7 -","- C264 H304 Er4 N4 O28 -","4","2","","Kalita, Pankaj; Nayak, Prakash; Ahmed, Naushad; Herrera, Juan Manuel; Venkatasubbaiah, Krishnan; Colacio, Enrique; Chandrasekhar, Vadapalli","Seven-coordinate Ln<sup>III</sup> complexes assembled from a bulky <sup> <i>Mes</i> </sup>acacH ligand: their synthesis, structure, photoluminescence and SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15404","15416","10.1039/d0dt03054f","","x-ray","0.71073","MoKα","","0.0611","0.036","","","0.075","0.0845","","","","","","1.009","","","","has coordinates,has disorder","260746","2021-01-07","06:16:08",""
"7705643","12.2338","0.0003","13.8401","0.0003","19.6751","0.0005","94.666","0.001","99.17","0.001","106","0.001","3133.69","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H76 N O7 Tb -","- C66 H76 N O7 Tb -","- C132 H152 N2 O14 Tb2 -","2","1","","Kalita, Pankaj; Nayak, Prakash; Ahmed, Naushad; Herrera, Juan Manuel; Venkatasubbaiah, Krishnan; Colacio, Enrique; Chandrasekhar, Vadapalli","Seven-coordinate Ln<sup>III</sup> complexes assembled from a bulky <sup> <i>Mes</i> </sup>acacH ligand: their synthesis, structure, photoluminescence and SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15404","15416","10.1039/d0dt03054f","","x-ray","0.71073","MoKα","","0.0418","0.0306","","","0.0704","0.0757","","","","","","1.029","","","","has coordinates","260746","2021-01-07","06:16:08",""
"7705644","14.2627","0.0005","21.6172","0.0008","14.4837","0.0005","90","","116.711","0.002","90","","3989.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 B Cl2 Mn N4 O2 -","- C46 H46 B Cl2 Mn N4 O2 -","- C184 H184 B4 Cl8 Mn4 N16 O8 -","4","1","","Ghosh, Subrata; Bagchi, Sukanya; Das, Mayurika; Kamilya, Sujit; Mondal, Abhishake","Stepwise spin-state switching in a manganese(III) complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14776","14780","10.1039/d0dt02746d","","","0.71073","MoKα","","0.0505","0.0438","","","0.0937","0.0976","","","","","","1.0535","","","","has coordinates,has disorder","258810","2020-11-06","12:04:49",""
"7705645","14.2615","0.001","21.635","0.0014","14.4098","0.001","90","","116.523","0.002","90","","3978.2","0.5","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 B Cl2 Mn N4 O2 -","- C46 H46 B Cl2 Mn N4 O2 -","- C184 H184 B4 Cl8 Mn4 N16 O8 -","4","1","","Ghosh, Subrata; Bagchi, Sukanya; Das, Mayurika; Kamilya, Sujit; Mondal, Abhishake","Stepwise spin-state switching in a manganese(III) complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14776","14780","10.1039/d0dt02746d","","","0.71073","MoKα","","0.1117","0.0768","","","0.156","0.1648","","","","","","1.128","","","","has coordinates,has disorder","258810","2020-11-06","12:04:50",""
"7705646","14.3566","0.001","21.8039","0.0015","14.4656","0.0011","90","","116.203","0.003","90","","4062.8","0.5","240","2","240","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 B Cl2 Mn N4 O2 -","- C46 H46 B Cl2 Mn N4 O2 -","- C184 H184 B4 Cl8 Mn4 N16 O8 -","4","1","","Ghosh, Subrata; Bagchi, Sukanya; Das, Mayurika; Kamilya, Sujit; Mondal, Abhishake","Stepwise spin-state switching in a manganese(III) complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14776","14780","10.1039/d0dt02746d","","","0.71073","MoKα","","0.084","0.0456","","","0.094","0.1148","","","","","","1.014","","","","has coordinates,has disorder","258810","2020-11-06","12:04:50",""
"7705647","8.4757","0.0002","15.2789","0.0003","15.8657","0.0003","116.813","0.001","105.461","0.001","91.097","0.001","1743.98","0.07","100","","99.98","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H39 I2 Ir N8 O2 -","- C33 H39 I2 Ir N8 O2 -","- C66 H78 I4 Ir2 N16 O4 -","2","1","","Dutschke, Patrick D.; Bente, Stefanie; Daniliuc, Constantin G.; Kinas, Jenny; Hepp, Alexander; Hahn, F. Ekkehardt","Chemoselective synthesis of heterobimetallic bis-NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14388","14392","10.1039/d0dt03369c","","","0.71073","MoKα","","0.0265","0.0231","","","0.0513","0.0525","","","","","","1.027","","","","has coordinates","258794","2020-11-06","11:59:02",""
"7705648","11.3321","0.0003","25.8698","0.0006","16.9685","0.0004","90","","99.176","0.001","90","","4910.8","0.2","99.91","","99.91","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H41 Cl3 F6 N4 P2 Pt -","- C46 H41 Cl3 F6 N4 P2 Pt -","- C184 H164 Cl12 F24 N16 P8 Pt4 -","4","1","","Dutschke, Patrick D.; Bente, Stefanie; Daniliuc, Constantin G.; Kinas, Jenny; Hepp, Alexander; Hahn, F. Ekkehardt","Chemoselective synthesis of heterobimetallic bis-NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14388","14392","10.1039/d0dt03369c","","","0.71073","MoKα","","0.0546","0.043","","","0.0908","0.0953","","","","","","1.08","","","","has coordinates,has disorder","258794","2020-11-06","11:59:03",""
"7705649","9.8319","0.0003","12.6068","0.0003","25.4524","0.0007","90","","97.735","0.002","90","","3126.09","0.15","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 Br Cl0 I N7 O3 Pd -","- C27 H29 Br I N7 O3 Pd -","- C108 H116 Br4 I4 N28 O12 Pd4 -","4","1","","Dutschke, Patrick D.; Bente, Stefanie; Daniliuc, Constantin G.; Kinas, Jenny; Hepp, Alexander; Hahn, F. Ekkehardt","Chemoselective synthesis of heterobimetallic bis-NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14388","14392","10.1039/d0dt03369c","","","0.71073","MoKα","","0.0685","0.0606","","","0.158","0.1642","","","","","","1.093","","","","has coordinates","258794","2020-11-06","11:59:03",""
"7705650","14.3613","0.0008","20.3225","0.0008","18.2235","0.0008","90","","101.367","0.005","90","","5214.3","0.4","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C51 H50 Cl2 F6 I N6 O2 P3 Pd -","- C51 H50 Cl2 F6 I N6 O2 P3 Pd -","- C204 H200 Cl8 F24 I4 N24 O8 P12 Pd4 -","4","1","","Dutschke, Patrick D.; Bente, Stefanie; Daniliuc, Constantin G.; Kinas, Jenny; Hepp, Alexander; Hahn, F. Ekkehardt","Chemoselective synthesis of heterobimetallic bis-NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14388","14392","10.1039/d0dt03369c","","","0.71073","MoKα","","0.0416","0.0317","","","0.0746","0.0797","","","","","","1.034","","","","has coordinates","258794","2020-11-06","11:59:03",""
"7705651","24.6695","0.0006","13.7796","0.0003","24.9858","0.0006","90","","110.622","0.001","90","","7949.3","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C65 H63 I2 Ir N6 O2 P2 Pd -","- C65 H63 I2 Ir N6 O2 P2 Pd -","- C260 H252 I8 Ir4 N24 O8 P8 Pd4 -","4","1","","Dutschke, Patrick D.; Bente, Stefanie; Daniliuc, Constantin G.; Kinas, Jenny; Hepp, Alexander; Hahn, F. Ekkehardt","Chemoselective synthesis of heterobimetallic bis-NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14388","14392","10.1039/d0dt03369c","","","1.54178","CuKα","","0.0828","0.0514","","","0.1184","0.1334","","","","","","0.979","","","","has coordinates","258794","2020-11-06","11:59:03",""
"7705652","22.969","0.003","14.6534","0.0017","16.1143","0.0019","90","","91.558","0.002","90","","5421.6","1.1","123","0.1","123","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H84 Mn2 N4 O2 -","- C58 H84 Mn2 N4 O2 -","- C232 H336 Mn8 N16 O8 -","4","0.5","","Oh, Changjin; Siewe, Joëlle; Nguyen, Thao T.; Kawamura, Airi; Flores, Marco; Groy, Thomas L.; Anderson, John S.; Trovitch, Ryan J.; Baik, Mu-Hyun","The electronic structure of a β-diketiminate manganese hydride dimer.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14463","14474","10.1039/d0dt02842h","","","0.71073","MoKα","","0.076","0.056","","","0.1343","0.1464","","","","","","1.028","","","","has coordinates","258788","2020-11-06","11:57:23",""
"7705653","17.9235","0.0002","30.6798","0.0004","16.1692","0.0002","90","","90.326","0.001","90","","8891.13","0.19","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","BM15-3","","- C29 H44 Cl2 N2 Pt S -","- C29 H44 Cl2 N2 Pt S -","- C348 H528 Cl24 N24 Pt12 S12 -","12","3","","Maliszewski, Benon P.; Tzouras, Nikolaos V.; Guillet, Sébastien G; Saab, Marina; Beliš, Marek; Van Hecke, Kristof; Nahra, Fady; Nolan, Steven P.","A general protocol for the synthesis of Pt-NHC (NHC = N-heterocyclic carbene) hydrosilylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14673","14679","10.1039/d0dt03480k","","x-ray","1.54184","CuKα","","0.0833","0.0687","","","0.1544","0.1629","","","","","","1.096","","","","has coordinates","258787","2020-11-06","11:57:13",""
"7705654","9.0077","0.0004","12.2861","0.0005","14.3802","0.0005","79.673","0.003","89.901","0.003","81.924","0.004","1549.69","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","BM49","","- C29 H43 Cl3 N2 Pt S -","- C29 H43 Cl3 N2 Pt S -","- C58 H86 Cl6 N4 Pt2 S2 -","2","1","","Maliszewski, Benon P.; Tzouras, Nikolaos V.; Guillet, Sébastien G; Saab, Marina; Beliš, Marek; Van Hecke, Kristof; Nahra, Fady; Nolan, Steven P.","A general protocol for the synthesis of Pt-NHC (NHC = N-heterocyclic carbene) hydrosilylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14673","14679","10.1039/d0dt03480k","","x-ray","0.71073","MoKα","","0.0684","0.0461","","","0.0796","0.0912","","","","","","1.027","","","","has coordinates","258787","2020-11-06","11:57:14",""
"7705655","12.7694","0.0001","19.3085","0.0002","20.1949","0.0002","90","","90","","90","","4979.21","0.08","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H31 Cl5 N2 Pt S -","- C18 H31 Cl5 N2 Pt S -","- C144 H248 Cl40 N16 Pt8 S8 -","8","1","","Maliszewski, Benon P.; Tzouras, Nikolaos V.; Guillet, Sébastien G; Saab, Marina; Beliš, Marek; Van Hecke, Kristof; Nahra, Fady; Nolan, Steven P.","A general protocol for the synthesis of Pt-NHC (NHC = N-heterocyclic carbene) hydrosilylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14673","14679","10.1039/d0dt03480k","","x-ray","1.54184","CuKα","","0.0302","0.0241","","","0.0551","0.0575","","","","","","1.052","","","","has coordinates","258787","2020-11-06","11:57:14",""
"7705656","10.0629","0.0002","15.8461","0.0002","17.489","0.0002","90","","90","","90","","2788.76","0.07","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","BM18","","- C24 H31 Cl5 N2 Pt S -","- C24 H31 Cl5 N2 Pt S -","- C96 H124 Cl20 N8 Pt4 S4 -","4","1","","Maliszewski, Benon P.; Tzouras, Nikolaos V.; Guillet, Sébastien G; Saab, Marina; Beliš, Marek; Van Hecke, Kristof; Nahra, Fady; Nolan, Steven P.","A general protocol for the synthesis of Pt-NHC (NHC = N-heterocyclic carbene) hydrosilylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14673","14679","10.1039/d0dt03480k","","x-ray","0.71073","MoKα","","0.0342","0.0296","","","0.0604","0.0627","","","","","","1.03","","","","has coordinates,has disorder","258787","2020-11-06","11:57:14",""
"7705657","18.2534","0.0002","19.4975","0.0002","37.0427","0.0003","90","","90","","90","","13183.3","0.2","100.8","0.1","100.8","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C73 H64 Cl8 N2 Pt S -","- C73 H64 Cl8 N2 Pt S -","- C584 H512 Cl64 N16 Pt8 S8 -","8","1","","Maliszewski, Benon P.; Tzouras, Nikolaos V.; Guillet, Sébastien G; Saab, Marina; Beliš, Marek; Van Hecke, Kristof; Nahra, Fady; Nolan, Steven P.","A general protocol for the synthesis of Pt-NHC (NHC = N-heterocyclic carbene) hydrosilylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14673","14679","10.1039/d0dt03480k","","x-ray","1.54184","CuKα","","0.0535","0.041","","","0.0968","0.1043","","","","","","1.039","","","","has coordinates","258787","2020-11-06","11:57:14",""
"7705658","16.2539","0.0001","17.7182","0.0002","10.1694","0.0001","90","","90","","90","","2928.68","0.05","100","0.1","100","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H42 Cl2 N2 Pt S -","- C29 H42 Cl2 N2 Pt S -","- C116 H168 Cl8 N8 Pt4 S4 -","4","0.5","","Maliszewski, Benon P.; Tzouras, Nikolaos V.; Guillet, Sébastien G; Saab, Marina; Beliš, Marek; Van Hecke, Kristof; Nahra, Fady; Nolan, Steven P.","A general protocol for the synthesis of Pt-NHC (NHC = N-heterocyclic carbene) hydrosilylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14673","14679","10.1039/d0dt03480k","","x-ray","0.71073","MoKα","","0.0602","0.0495","","","0.0981","0.1043","","","","","","1.034","","","","has coordinates","258787","2020-11-06","11:57:14",""
"7705659","8.8511","0.0003","11.8616","0.0004","14.2639","0.0004","97.805","0.003","104.276","0.003","107.123","0.003","1351.4","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H48 Bi2 N12 -","- C63 H48 Bi2 N12 -","- C63 H48 Bi2 N12 -","1","0.5","","Zhao, Ming-Gang; Li, Li; He, Ru-Ru; Zhang, Xiang; Ma, Jian-Ping; Su, Ji-Hu; Zheng, Wenjun","1,2,4-Triazolato paddlewheel dibismuth complexes with very short Bi(II)-Bi(II) bonds: bismuth(III) oxidation of 1,2,4-triazolato anions into neutral <i>N</i>-1,2,4-triazolyl radicals.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15190","15194","10.1039/d0dt03225e","","x-ray","0.71073","MoKα","","0.035","0.0262","","","0.0491","0.051","","","","","","1.023","","","","has coordinates","260739","2021-01-07","06:13:33",""
"7705660","10.1097","0.0003","10.1538","0.0003","10.1748","0.0004","97.933","0.003","99.017","0.003","96.358","0.003","1012.28","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H56 Bi2 N12 -","- C32 H56 Bi2 N12 -","- C32 H56 Bi2 N12 -","1","0.5","","Zhao, Ming-Gang; Li, Li; He, Ru-Ru; Zhang, Xiang; Ma, Jian-Ping; Su, Ji-Hu; Zheng, Wenjun","1,2,4-Triazolato paddlewheel dibismuth complexes with very short Bi(II)-Bi(II) bonds: bismuth(III) oxidation of 1,2,4-triazolato anions into neutral <i>N</i>-1,2,4-triazolyl radicals.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15190","15194","10.1039/d0dt03225e","","x-ray","0.71073","MoKα","","0.0452","0.0334","","","0.0697","0.0772","","","","","","1.067","","","","has coordinates,has disorder","260739","2021-01-07","06:13:33",""
"7705661","30.197","0.01","30.197","0.01","30.197","0.01","90","","90","","90","","27535","16","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C120 H84 N12 O52 Zn16 -","- C108 O52 Zn16 -","- C216 O104 Zn32 -","2","0.0104167","","Prasad, Thazhe Kootteri; Suh, Myunghyun Paik","Synthesis of multifunctional metal-organic frameworks and tuning the functionalities with pendant ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15034","15040","10.1039/d0dt03012k","","","0.7","synchrotron","","0.1065","0.0988","","","0.3146","0.3318","","","","","","1.344","","","","has coordinates","258811","2020-11-06","12:05:35",""
"7705662","29.97","0.01","29.97","0.01","29.97","0.01","90","","90","","90","","26919","16","293","2","293","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C264 H192 O104 S24 Zn32 -","- C168 O104 Zn32 -","- C336 O208 Zn64 -","2","0.0104167","","Prasad, Thazhe Kootteri; Suh, Myunghyun Paik","Synthesis of multifunctional metal-organic frameworks and tuning the functionalities with pendant ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15034","15040","10.1039/d0dt03012k","","","0.69998","synchrotron","","0.1529","0.1334","","","0.3691","0.401","","","","","","1.429","","","","has coordinates","258811","2020-11-06","12:05:36",""
"7705663","30.206","0.01","30.206","0.01","30.206","0.01","90","","90","","90","","27560","16","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C156 H144 O64 Zn16 -","- C132 O52 Zn16 -","- C264 O104 Zn32 -","2","0.0104167","","Prasad, Thazhe Kootteri; Suh, Myunghyun Paik","Synthesis of multifunctional metal-organic frameworks and tuning the functionalities with pendant ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15034","15040","10.1039/d0dt03012k","","","0.7","synchrotron","","0.1011","0.0927","","","0.2909","0.3096","","","","","","1.229","","","","has coordinates","258811","2020-11-06","12:05:36",""
"7705664","30.089","0.003","30.089","0.003","30.089","0.003","90","","90","","90","","27241","5","293","2","293","2","","","","","","","Solvothermal synthesis","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C264 H192 O104 Zn32 -","- C264 O104 Zn32 -","- C528 O208 Zn64 -","2","0.0104167","","Prasad, Thazhe Kootteri; Suh, Myunghyun Paik","Synthesis of multifunctional metal-organic frameworks and tuning the functionalities with pendant ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15034","15040","10.1039/d0dt03012k","","","0.69999","synchrotron","","0.1663","0.1156","","","0.3886","0.4267","","","","","","1.174","","","","has coordinates","258811","2020-11-06","12:05:36",""
"7705665","30.222","0.01","30.222","0.01","30.222","0.01","90","","90","","90","","27604","16","293","2","293","2","","","","","","","Solvothermal synthesis","4","F d -3 :2","-F 2uv 2vw 3","203","","","","- C288 H240 O104 Zn32 -","- C252 O104 Zn32 -","- C504 O208 Zn64 -","2","0.0208333","","Prasad, Thazhe Kootteri; Suh, Myunghyun Paik","Synthesis of multifunctional metal-organic frameworks and tuning the functionalities with pendant ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15034","15040","10.1039/d0dt03012k","","","0.7","synchrotron","","0.1224","0.1054","","","0.3617","0.3864","","","","","","1.435","","","","has coordinates","258811","2020-11-06","12:05:36",""
"7705666","20.999","0.004","10.347","0.002","30.92","0.006","90","","92.724","0.003","90","","6711","2","155","2","155","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 B Cl Co N4 -","- C36 H48 B Cl Co N4 -","- C288 H384 B8 Cl8 Co8 N32 -","8","2","","Cui, Hui-Hui; Ding, Man-Man; Zhang, Xiu-Du; Lv, Wei; Zhang, Yi-Quan; Chen, Xue-Tai; Wang, Zhenxing; Ouyang, Zhong-Wen; Xue, Zi-Ling","Magnetic anisotropy in square pyramidal cobalt(II) complexes supported by a tetraazo macrocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14837","14846","10.1039/d0dt01954b","","","0.71073","MoKα","","0.0732","0.0475","","","0.1072","0.1186","","","","","","1.05","","","","has coordinates","258801","2020-11-06","12:01:08",""
"7705667","20.9569","0.0016","10.4803","0.0008","31.079","0.002","90","","92.093","0.002","90","","6821.5","0.9","155","2","155","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 B Br Co N4 -","- C36 H48 B Br Co N4 -","- C288 H384 B8 Br8 Co8 N32 -","8","2","","Cui, Hui-Hui; Ding, Man-Man; Zhang, Xiu-Du; Lv, Wei; Zhang, Yi-Quan; Chen, Xue-Tai; Wang, Zhenxing; Ouyang, Zhong-Wen; Xue, Zi-Ling","Magnetic anisotropy in square pyramidal cobalt(II) complexes supported by a tetraazo macrocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14837","14846","10.1039/d0dt01954b","","","0.71073","MoKα","","0.098","0.066","","","0.1617","0.1759","","","","","","1.047","","","","has coordinates","258801","2020-11-06","12:01:09",""
"7705668","12.3275","0.0002","18.5853","0.0003","22.9955","0.0004","67.207","0.001","81.046","0.001","79.961","0.001","4760.14","0.14","150","2","150.01","","","","","","","","","8","P -1","-P 1","2","","","","- C2 H121 As4 K17 Na2 O200 Pr2 W38 -","- C2 As4 K17 Na2 O200 Pr2 W38 -","- C2 As4 K17 Na2 O200 Pr2 W38 -","1","0.5","","Chen, Hanhan; Xiao, Zikang; Yan, Bing; Wu, Hechen; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","H-shaped oxalate-bridging lanthanoid-incorporated arsenotungstates.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15731","15738","10.1039/d0dt02792h","","","0.71073","MoKα","","0.0434","0.0345","","","0.078","0.0827","","","","","","1.041","","","","has coordinates,has disorder","260734","2021-01-07","06:11:49",""
"7705669","12.2892","0.0005","18.5454","0.0009","22.9794","0.0011","67.218","0.002","81.116","0.002","79.915","0.002","4732.3","0.4","150","2","149.98","","","","","","","","","8","P -1","-P 1","2","","","","- C2 H129 As4 K17 Na2 O204 Sm2 W38 -","- C2 As4 K17 Na2 O204 Sm2 W38 -","- C2 As4 K17 Na2 O204 Sm2 W38 -","1","0.5","","Chen, Hanhan; Xiao, Zikang; Yan, Bing; Wu, Hechen; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","H-shaped oxalate-bridging lanthanoid-incorporated arsenotungstates.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15731","15738","10.1039/d0dt02792h","","","0.71073","MoKα","","0.0645","0.0533","","","0.1247","0.131","","","","","","1.049","","","","has coordinates,has disorder","260734","2021-01-07","06:11:50",""
"7705670","12.3104","0.0003","18.5826","0.0004","22.8935","0.0004","67.143","0.001","81.201","0.001","79.84","0.001","4729.56","0.18","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C2 H107 As4 Ce2 K17 Na2 O193 W38 -","- C2 As4 Ce2 K17 Na2 O193 W38 -","- C2 As4 Ce2 K17 Na2 O193 W38 -","1","0.5","","Chen, Hanhan; Xiao, Zikang; Yan, Bing; Wu, Hechen; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","H-shaped oxalate-bridging lanthanoid-incorporated arsenotungstates.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15731","15738","10.1039/d0dt02792h","","","0.71073","MoKα","","0.0399","0.0332","","","0.0807","0.0848","","","","","","1.017","","","","has coordinates,has disorder","260734","2021-01-07","06:11:50",""
"7705671","6.159","0.0012","11.379","0.002","14.193","0.003","90","","99.69","0.03","90","","980.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Cl Cu N2 O -","- C9 H11 Cl Cu N2 O -","- C36 H44 Cl4 Cu4 N8 O4 -","4","1","","Rigamonti, Luca; Reginato, Francesco; Ferrari, Erika; Pigani, Laura; Gigli, Lara; Demitri, Nicola; Kopel, Pavel; Tesarova, Barbora; Heger, Zbynek","From solid state to <i>in vitro</i> anticancer activity of copper(II) compounds with electronically-modulated NNO Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14626","14639","10.1039/d0dt03038d","","","0.7","Synchrotron","","0.018","0.0179","","","0.05","0.0501","","","","","","1.097","","","","has coordinates","258782","2020-11-06","11:55:46",""
"7705672","21.258","0.004","8.189","0.0016","21.253","0.004","90","","111.37","0.03","90","","3445.4","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H21 Cu N2 O5.5 -","- C18 H21 Cu N2 O5.5 -","- C144 H168 Cu8 N16 O44 -","8","1","","Rigamonti, Luca; Reginato, Francesco; Ferrari, Erika; Pigani, Laura; Gigli, Lara; Demitri, Nicola; Kopel, Pavel; Tesarova, Barbora; Heger, Zbynek","From solid state to <i>in vitro</i> anticancer activity of copper(II) compounds with electronically-modulated NNO Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14626","14639","10.1039/d0dt03038d","","","0.7","Synchrotron","","0.0296","0.027","","","0.0761","0.0779","","","","","","1.047","","","","has coordinates","258782","2020-11-06","11:55:47",""
"7705673","14.252","0.003","7.973","0.0016","10.332","0.002","90","","107.38","0.03","90","","1120.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Cl Cu N2 O2 -","- C10 H13 Cl Cu N2 O2 -","- C40 H52 Cl4 Cu4 N8 O8 -","4","1","","Rigamonti, Luca; Reginato, Francesco; Ferrari, Erika; Pigani, Laura; Gigli, Lara; Demitri, Nicola; Kopel, Pavel; Tesarova, Barbora; Heger, Zbynek","From solid state to <i>in vitro</i> anticancer activity of copper(II) compounds with electronically-modulated NNO Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14626","14639","10.1039/d0dt03038d","","","0.7","Synchrotron","","0.0405","0.0389","","","0.1135","0.1152","","","","","","1.053","","","","has coordinates","258782","2020-11-06","11:55:47",""
"7705674","27.861","0.005","30.137","0.006","10.465","0.001","90","","90","","90","","8787","3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H10 Cl Cu N3 O3 -","- C9 H10 Cl Cu N3 O3 -","- C288 H320 Cl32 Cu32 N96 O96 -","32","8","","Rigamonti, Luca; Reginato, Francesco; Ferrari, Erika; Pigani, Laura; Gigli, Lara; Demitri, Nicola; Kopel, Pavel; Tesarova, Barbora; Heger, Zbynek","From solid state to <i>in vitro</i> anticancer activity of copper(II) compounds with electronically-modulated NNO Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14626","14639","10.1039/d0dt03038d","","","0.7","Synchrotron","","0.1083","0.0689","","","0.169","0.1922","","","","","","1.006","","","","has coordinates","258782","2020-11-06","11:55:47",""
"7705675","30.5012","0.0005","30.5012","0.0005","25.1712","0.0007","90","","90","","120","","20280","0.7","398","2","398","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","GaI(Me2IPr)[(NDipp)2C12H5]*0.5tol","","- C49.33 H59.67 Ga I N4 -","- C49.3331 H59.6664 Ga I N4 -","- C887.996 H1074 Ga18 I18 N72 -","18","1","","Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.","Synthesis and decarbonylation chemistry of gallium phosphaketenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15249","15255","10.1039/d0dt03174g","","","1.54184","CuKα","","0.0397","0.0328","","","0.0752","0.0816","","","","","","1.035","","","","has coordinates,has disorder","260742","2021-01-07","06:14:42",""
"7705676","12.4092","0.0002","19.3221","0.0003","17.8085","0.0003","90","","90.204","0.002","90","","4269.95","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ga(PCO)[(NDipp)2C12H5]*tol","","- C49 H53 Ga N3 O P -","- C49 H53 Ga N3 O P -","- C196 H212 Ga4 N12 O4 P4 -","4","1","","Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.","Synthesis and decarbonylation chemistry of gallium phosphaketenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15249","15255","10.1039/d0dt03174g","","","1.54184","CuKα","","0.0362","0.0332","","","0.0926","0.0952","","","","","","1.234","","","","has coordinates","260742","2021-01-07","06:14:42",""
"7705677","13.6214","0.001","18.3845","0.0012","24.7906","0.0011","90","","90","","90","","6208.1","0.7","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Ga(PCO)(IMes)[(NDipp)2C12H5]*2tol","","- C72 H80 Ga N4 O P -","- C72 H80 Ga N4 O P -","- C288 H320 Ga4 N16 O4 P4 -","4","1","","Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.","Synthesis and decarbonylation chemistry of gallium phosphaketenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15249","15255","10.1039/d0dt03174g","","","0.71073","MoKα","","0.1113","0.0651","","","0.1117","0.1279","","","","","","1.009","","","","has coordinates","260742","2021-01-07","06:14:42",""
"7705678","39.4865","0.0013","36.1344","0.0015","12.8743","0.0006","90","","90","","90","","18369.3","1.3","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Ga(PCO)(Me2IPr)[(NDipp)2C12H5]*0.5tol","","- C51.5 H64 Ga N4 O P -","- C51.5 H64 Ga N4 O P -","- C824 H1024 Ga16 N64 O16 P16 -","16","1","","Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.","Synthesis and decarbonylation chemistry of gallium phosphaketenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15249","15255","10.1039/d0dt03174g","","","1.54184","CuKα","","0.0671","0.0491","","","0.1208","0.1394","","","","","","1.013","","","","has coordinates","260742","2021-01-07","06:14:42",""
"7705679","9.3557","0.0001","19.1486","0.0002","22.4817","0.0002","90","","96.966","0.001","90","","3997.83","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","GaP(PMe3)(py)[(NDipp)2C12H5]","","- C44 H54 Ga N3 P2 -","- C44 H54 Ga N3 P2 -","- C176 H216 Ga4 N12 P8 -","4","1","","Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.","Synthesis and decarbonylation chemistry of gallium phosphaketenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15249","15255","10.1039/d0dt03174g","","","1.54184","CuKα","","0.043","0.0326","","","0.0792","0.0828","","","","","","1.081","","","","has coordinates","260742","2021-01-07","06:14:42",""
"7705680","13.654","0.0001","18.2902","0.0001","24.7157","0.0001","90","","90","","90","","6172.36","0.06","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","GaI(IMes)[(NDipp)2C12H5]*2tol","","- C71 H80 Ga I N4 -","- C71 H80 Ga I N4 -","- C284 H320 Ga4 I4 N16 -","4","1","","Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.","Synthesis and decarbonylation chemistry of gallium phosphaketenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15249","15255","10.1039/d0dt03174g","","","1.54184","CuKα","","0.0279","0.0259","","","0.0662","0.0683","","","","","","1.082","","","","has coordinates","260742","2021-01-07","06:14:42",""
"7705681","12.23","0.0003","22.2691","0.0004","15.9009","0.0004","90","","111.732","0.003","90","","4022.83","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[GaP(py){(NDipp)2C12H5}]2*2OEt2","","- C90 H110 Ga2 N6 O2 P2 -","- C90 H110 Ga2 N6 O2 P2 -","- C180 H220 Ga4 N12 O4 P4 -","2","0.5","","Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.","Synthesis and decarbonylation chemistry of gallium phosphaketenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15249","15255","10.1039/d0dt03174g","","","0.71073","MoKα","","0.0676","0.0413","","","0.0873","0.099","","","","","","1.026","","","","has coordinates","260742","2021-01-07","06:14:42",""
"7705682","27.3275","0.0002","17.6404","0.0002","31.0011","0.0003","90","","90","","90","","14944.6","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{[(NDipp)C(CH3)]2CH}GaPGa[(NDipp)2C12H5]*2tol","","- C84 H102 Ga2 N5 P -","- C84 H102 Ga2 N5 P -","- C672 H816 Ga16 N40 P8 -","8","1","","Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.","Synthesis and decarbonylation chemistry of gallium phosphaketenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15249","15255","10.1039/d0dt03174g","","","1.54184","CuKα","","0.0613","0.0412","","","0.1001","0.1108","","","","","","1.036","","","","has coordinates","260742","2021-01-07","06:14:42",""
"7705683","46.3247","0.0005","46.3247","0.0005","12.9618","0.0002","90","","90","","120","","24089.1","0.5","150","2","150","2","","","","","","","","6","P -3","-P 3","147","","Ga(PPMe3)(Me2IPr)[(NDipp)2C12H5]*0.66OEt2","","- C52.67 H75.67 Ga N4 O0.67 P2 -","- C52.6667 H75.6667 Ga N4 O0.666667 P2 -","- C948 H1362 Ga18 N72 O12 P36 -","18","3","","Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.","Synthesis and decarbonylation chemistry of gallium phosphaketenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15249","15255","10.1039/d0dt03174g","","","1.54184","CuKα","","0.0833","0.0754","","","0.1845","0.1891","","","","","","1.175","","","","has coordinates","260742","2021-01-07","06:14:42",""
"7705684","13.0258","0.0007","18.9888","0.0011","13.8042","0.0008","90","","113.24","0.0017","90","","3137.4","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C85 H68 N2 Sm -","- C85 H68 N2 Sm -","- C170 H136 N4 Sm2 -","2","1","","Lukina, Daria A.; Skatova, Alexandra A.; Sokolov, Vladimir G.; Baranov, Evgenii V.; Demeshko, Serhiy; Ketkov, Sergey Yu; Fedushkin, Igor L.","Low-coordinate Sm(II) and Yb(II) complexes derived from sterically-hindered 1,2-bis(imino)acenaphthene (Ar<sup>BIG</sup>-bian).","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14445","14451","10.1039/d0dt02963g","","","0.71073","MoKα","","0.0752","0.0527","","","0.0885","0.0984","","","","","","1.022","","","","has coordinates","287906","2023-11-30","18:39:49",""
"7705685","12.9233","0.0004","14.4027","0.0005","22.7605","0.0007","87.887","0.001","74.114","0.001","67.067","0.001","3740.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C99.5 H90 N2 O2 Yb -","- C99.5 H90 N2 O2 Yb -","- C199 H180 N4 O4 Yb2 -","2","1","","Lukina, Daria A.; Skatova, Alexandra A.; Sokolov, Vladimir G.; Baranov, Evgenii V.; Demeshko, Serhiy; Ketkov, Sergey Yu; Fedushkin, Igor L.","Low-coordinate Sm(II) and Yb(II) complexes derived from sterically-hindered 1,2-bis(imino)acenaphthene (Ar<sup>BIG</sup>-bian).","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14445","14451","10.1039/d0dt02963g","","","0.71073","MoKα","","0.0301","0.0255","","","0.0595","0.0608","","","","","","1.047","","","","has coordinates,has disorder","258798","2020-11-06","11:59:51",""
"7705686","13.7407","0.0011","18.7955","0.0017","24.607","0.002","90","","104.497","0.003","90","","6152.7","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H70 N2 O2 Sm -","- C82 H70 N2 O2 Sm -","- C328 H280 N8 O8 Sm4 -","4","1","","Lukina, Daria A.; Skatova, Alexandra A.; Sokolov, Vladimir G.; Baranov, Evgenii V.; Demeshko, Serhiy; Ketkov, Sergey Yu; Fedushkin, Igor L.","Low-coordinate Sm(II) and Yb(II) complexes derived from sterically-hindered 1,2-bis(imino)acenaphthene (Ar<sup>BIG</sup>-bian).","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14445","14451","10.1039/d0dt02963g","","","0.71073","MoKα","","0.0938","0.0544","","","0.0858","0.0952","","","","","","1.03","","","","has coordinates","287906","2023-11-30","18:39:50",""
"7705687","23.2275","0.0008","23.2275","0.0008","44.2459","0.0018","90","","90","","90","","23871.4","1.5","100","2","100.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C116 H151 Gd Mn2 N7 O16 -","- C116 H149 Gd Mn2 N7 O16 -","- C928 H1192 Gd8 Mn16 N56 O128 -","8","1","","Coletta, Marco; Sanz, Sergio; Cutler, Daniel J.; Teat, Simon J.; Gagnon, Kevin J.; Singh, Mukesh K.; Brechin, Euan K.; Dalgarno, Scott J.","Magneto-structural studies of an unusual [Mn<sup>III</sup>Mn<sup>II</sup>Gd<sup>III</sup>(OR)<sub>4</sub>]<sup>4-</sup> partial cubane from 2,2'-bis-<i>p</i>-<sup> <i>t</i> </sup>Bu-calix[4]arene.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14790","14797","10.1039/d0dt02731f","","","0.7749","Synchrotron","","0.0844","0.0653","","","0.151","0.1718","","","","","","1.033","","","","has coordinates,has disorder","258814","2020-11-06","12:06:44",""
"7705688","16.8786","0.0016","20.72","0.002","22.088","0.002","90","","92.938","0.004","90","","7714.6","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H136 K2 N12 O4 P2 -","- C72 H136 K2 N12 O4 P2 -","- C288 H544 K8 N48 O16 P8 -","4","0.5","","Aguirre Quintana, Luis M.; Jiang, Ningxin; Bacsa, John; La Pierre, Henry S.","Homoleptic cerium tris(dialkylamido)imidophosphorane guanidinate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14908","14913","10.1039/d0dt03472j","","","0.71073","MoKα","","0.1964","0.1627","","","0.4009","0.4197","","","","","","2.808","","","","has coordinates,has disorder","258807","2020-11-06","12:02:57",""
"7705689","13.438","0.002","19.34","0.003","22.773","0.004","95.893","0.007","99.06","0.007","91.156","0.007","5809.8","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C123 H214 B Ce N18 P3 -","- C108 H178 B Ce N18 P3 -","- C216 H356 B2 Ce2 N36 P6 -","2","1","","Aguirre Quintana, Luis M.; Jiang, Ningxin; Bacsa, John; La Pierre, Henry S.","Homoleptic cerium tris(dialkylamido)imidophosphorane guanidinate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14908","14913","10.1039/d0dt03472j","","","0.71073","MoKα","","0.0574","0.0437","","","0.1005","0.1066","","","","","","1.032","","","","has coordinates,has disorder","258807","2020-11-06","12:02:58",""
"7705690","16.104","0.002","16.452","0.002","20.98","0.003","81.638","0.005","88.524","0.006","61.054","0.004","4806","1.1","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C89 H168 Ce N18 P3 -","- C84 H155 Ce N18 P3 -","- C168 H310 Ce2 N36 P6 -","2","1","","Aguirre Quintana, Luis M.; Jiang, Ningxin; Bacsa, John; La Pierre, Henry S.","Homoleptic cerium tris(dialkylamido)imidophosphorane guanidinate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14908","14913","10.1039/d0dt03472j","","","0.71073","MoKα","","0.0523","0.0409","","","0.0958","0.1015","","","","","","1.024","","","","has coordinates,has disorder","258807","2020-11-06","12:02:58",""
"7705691","10.0023","0.0003","14.5554","0.0005","14.7865","0.0006","74.004","0.003","78.426","0.003","75.086","0.003","1980.08","0.13","95","0.1","95","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H37.541 Co0.14 N6 Na0 Ni1.86 O17 -","- C38 H37.54 Co0.14 N6 Ni1.86 O17 -","- C76 H75.08 Co0.28 N12 Ni3.72 O34 -","2","1","","Saheli, Sania; Rezvani, Ali Reza; Yavari, Zahra; Dusek, Michal; Kucerakova, Monika","New Pd/Co-Ni electrocatalysts for formic acid electrooxidation and their fabrication from inorganic precursor [Co<sub>0.14</sub>Ni<sub>1.86</sub>(dipic)<sub>2</sub>(phen)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]·4H<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15864","15873","10.1039/d0dt03113e","","x-ray","1.54184","CuKα","","0.0467","0.0363","","","0.0448","0.0473","","","","1.51","1.51","1.42","","","","has coordinates","260731","2021-01-07","06:11:02",""
"7705692","17.7189","0.001","3.5053","0.0002","13.3457","0.0008","90","","100.282","0.002","90","","815.59","0.08","100","","99.97","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Sodium nitrotetrazolate tetrahydrate","","- C H8 N5 Na O6 -","- C H8 N5 Na O6 -","- C4 H32 N20 Na4 O24 -","4","0.5","","Westwater, Bradley; Lloyd, Hayleigh J.; Vitorica-Yrezabal, Inigo J; Fong, Angela; McMaster, Patrick; Sloan, Martin; Coaker, Brian M.; Pulham, Colin R.; Portius, Peter","Synthesis and characterization of the mixed-ligand coordination polymer Cu<sub>3</sub>Cl(N<sub>4</sub>C-NO<sub>2</sub>)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14975","14984","10.1039/d0dt03077e","","","1.54178","CuKα","","0.0408","0.039","","","0.0993","0.1004","","","","","","1.181","","","","has coordinates,has disorder","258805","2020-11-06","12:02:24",""
"7705693","10.898","0.001","9.2377","0.0009","10.368","0.001","90","","100.493","0.01","90","","1026.32","0.17","100","0.3","100","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 Cl Cu3 N10 O4 -","- C2 Cl Cu3 N10 O4 -","- C8 Cl4 Cu12 N40 O16 -","4","1","","Westwater, Bradley; Lloyd, Hayleigh J.; Vitorica-Yrezabal, Inigo J; Fong, Angela; McMaster, Patrick; Sloan, Martin; Coaker, Brian M.; Pulham, Colin R.; Portius, Peter","Synthesis and characterization of the mixed-ligand coordination polymer Cu<sub>3</sub>Cl(N<sub>4</sub>C-NO<sub>2</sub>)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14975","14984","10.1039/d0dt03077e","","x-ray","1.54184","CuKα","","0.1046","0.0569","","","0.12","0.1429","","","","","","1.066","","","","has coordinates","258805","2020-11-06","12:02:24",""
"7705694","11.1922","0.0003","11.5319","0.0003","22.9826","0.0006","90","","90","","90","","2966.3","0.14","100","2","100.01","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H46 N2 O2 S4 Zn -","- C22 H46 N2 O2 S4 Zn -","- C88 H184 N8 O8 S16 Zn4 -","4","0.5","","Vakalopoulou, Efthymia; Buchmaier, Christine; Pein, Andreas; Saf, Robert; Fischer, Roland C.; Torvisco, Ana; Warchomicka, Fernando; Rath, Thomas; Trimmel, Gregor","Synthesis and characterization of zinc di(<i>O</i>-2,2-dimethylpentan-3-yl dithiocarbonates) bearing pyridine or tetramethylethylenediamine coligands and investigation of their thermal conversion mechanisms towards nanocrystalline zinc sulfide.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14564","14575","10.1039/d0dt03065a","","x-ray","0.71073","MoKα","","0.0367","0.0349","","","0.0728","0.0735","","","","","","1.27","","","","has coordinates,has disorder","258797","2020-11-06","11:59:35",""
"7705695","23.559","0.008","8.682","0.003","13.815","0.005","90","","101.55","0.02","90","","2768.5","1.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H35 N O2 S4 Zn -","- C21 H35 N O2 S4 Zn -","- C84 H140 N4 O8 S16 Zn4 -","4","0.5","","Vakalopoulou, Efthymia; Buchmaier, Christine; Pein, Andreas; Saf, Robert; Fischer, Roland C.; Torvisco, Ana; Warchomicka, Fernando; Rath, Thomas; Trimmel, Gregor","Synthesis and characterization of zinc di(<i>O</i>-2,2-dimethylpentan-3-yl dithiocarbonates) bearing pyridine or tetramethylethylenediamine coligands and investigation of their thermal conversion mechanisms towards nanocrystalline zinc sulfide.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14564","14575","10.1039/d0dt03065a","","x-ray","0.71073","MoKα","","0.0858","0.0544","","","0.1396","0.1571","","","","","","1.027","","","","has coordinates","258797","2020-11-06","11:59:38",""
"7705696","25.8018","0.001","10.0911","0.0003","20.3821","0.0007","90","","92.472","0.002","90","","5301.9","0.3","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H21 Cu N3 O6 -","- C30 H21 Cu N3 O6 -","- C240 H168 Cu8 N24 O48 -","8","2","","Islam, Sakhiul; Das, Pubali; Maiti, Saswati; Khan, Samim; Maity, Suvendu; Ghosh, Prasanta; Jana, Atish Dipankar; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Electrically conductive Cu(II)-based 1D coordination polymer with theoretical insight.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15323","15331","10.1039/d0dt03098h","","","0.71073","MoKα","","0.0838","0.0467","","","0.0981","0.1133","","","","","","1.061","","","","has coordinates","260738","2021-01-07","06:13:27",""
"7705697","7.1575","0.0003","12.0799","0.0005","12.5607","0.0005","78.544","0.003","87.869","0.003","84.639","0.003","1059.54","0.08","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H34 Cl8 N6 O4 Os2 -","- C39 H34 Cl8 N6 O4 Os2 -","- C39 H34 Cl8 N6 O4 Os2 -","1","0.5","","Huang, Wan-Qiong; Wang, Chuan-Xian; Liu, Tao; Li, Zi-Xin; Pan, Chen; Chen, Yun-Zhou; Lian, Xin; Man, Wai-Lun; Ni, Wen-Xiu","A cytotoxic nitrido-osmium(VI) complex induces caspase-mediated apoptosis in HepG2 cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17173","17182","10.1039/d0dt02715d","","","1.54178","CuKα","","0.0431","0.0427","","","0.1097","0.1103","","","","","","1.066","","","","has coordinates,has disorder","260751","2021-01-07","06:18:33",""
"7705698","15.5781","0.0003","9.86896","0.00016","57.967","0.003","90","","96.152","0.003","90","","8860.5","0.5","110","2","110","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H72 Si11 -","- C24 H72 Si11 -","- C192 H576 Si88 -","8","1","","Ferguson, John T.; Jiang, Qifeng; Marro, Eric A.; Siegler, Maxime A.; Klausen, Rebekka S.","Long-range coupling in cyclic silanes.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14951","14961","10.1039/d0dt03163a","","","1.54178","CuKα","","0.0841","0.0826","","","0.1957","0.1966","","","","","","1.174","","","","has coordinates","258802","2020-11-06","12:01:29",""
"7705699","10.1167","0.0003","12.429","0.0003","17.0543","0.0004","71.232","0.002","80.544","0.002","69.194","0.003","1894.96","0.09","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H60 Si10 -","- C20 H60 Si10 -","- C40 H120 Si20 -","2","1","","Ferguson, John T.; Jiang, Qifeng; Marro, Eric A.; Siegler, Maxime A.; Klausen, Rebekka S.","Long-range coupling in cyclic silanes.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14951","14961","10.1039/d0dt03163a","","","0.71073","MoKα","","0.0382","0.0294","","","0.0721","0.0769","","","","","","1.055","","","","has coordinates","258802","2020-11-06","12:01:30",""
"7705700","13.3319","0.0003","21.5603","0.0005","23.7767","0.0006","90","","99.786","0.002","90","","6734.9","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C97 H204 K4 O24 Si16 -","- C97 H204 K4 O24 Si16 -","- C194 H408 K8 O48 Si32 -","2","0.5","","Ferguson, John T.; Jiang, Qifeng; Marro, Eric A.; Siegler, Maxime A.; Klausen, Rebekka S.","Long-range coupling in cyclic silanes.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14951","14961","10.1039/d0dt03163a","","","0.71073","MoKα","","0.0643","0.0502","","","0.1033","0.1101","","","","","","1.067","","","","has coordinates,has disorder","258802","2020-11-06","12:01:30",""
"7705701","12.2789","0.0003","16.4703","0.0003","19.5884","0.0004","74.5249","0.0019","73.536","0.002","87.0261","0.0018","3660.14","0.14","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H110 K2 O12 Si9 -","- C49 H110 K2 O12 Si9 -","- C98 H220 K4 O24 Si18 -","2","1","","Ferguson, John T.; Jiang, Qifeng; Marro, Eric A.; Siegler, Maxime A.; Klausen, Rebekka S.","Long-range coupling in cyclic silanes.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14951","14961","10.1039/d0dt03163a","","","0.71073","MoKα","","0.0614","0.0464","","","0.1067","0.1149","","","","","","1.058","","","","has coordinates,has disorder","258802","2020-11-06","12:01:30",""
"7705702","22.0273","0.0005","11.7156","0.0002","30.592","0.0007","90","","108.615","0.002","90","","7481.7","0.3","117.6","0.9","118","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C68 H72 Cu F16 N12 Na2 O12 -","- C68 H72 Cu F16 N12 Na2 O12 -","- C272 H288 Cu4 F64 N48 Na8 O48 -","4","0.5","","Konarev, Dmitri V.; Faraonov, Maxim A.; Batov, Mikhail S.; Andronov, Mikhail G.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Effect of reduction on the molecular structure and optical and magnetic properties of fluorinated copper(II) phthalocyanines.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16821","16829","10.1039/d0dt02635b","","","0.71073","MoKα","","0.069","0.0435","","","0.0964","0.1065","","","","","","1.022","","","","has coordinates,has disorder","260748","2021-01-07","06:17:41",""
"7705703","8.5816","0.0002","18.3478","0.0005","19.5899","0.0005","117.093","0.003","91.791","0.002","103.115","0.002","2641.99","0.14","118","2","118","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H44 Cu F8 N10 Na O6 -","- C50 H44 Cu F8 N10 Na O6 -","- C100 H88 Cu2 F16 N20 Na2 O12 -","2","1","","Konarev, Dmitri V.; Faraonov, Maxim A.; Batov, Mikhail S.; Andronov, Mikhail G.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Effect of reduction on the molecular structure and optical and magnetic properties of fluorinated copper(II) phthalocyanines.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16821","16829","10.1039/d0dt02635b","","x-ray","0.71073","MoKα","","0.0541","0.0436","","","0.105","0.1109","","","","","","1.02","","","","has coordinates,has disorder","260748","2021-01-07","06:17:42",""
"7705704","23.928","0.0012","14.4942","0.0005","26.2838","0.0015","90","","110.163","0.006","90","","8557","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C107 H105 Au2 N2 O2 -","- C107 H105 Au2 N2 O2 -","- C428 H420 Au8 N8 O8 -","4","1","","Hsu, Ying-Feng; Chen, Ssu-Ying; Maity, Subhendu; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","A polymorphic pentiptycene-containing gold(I) isocyanide complex: solvent- and conformation-dependent supramolecular luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15602","15606","10.1039/d0dt03105d","","","0.71073","MoKα","","0.2625","0.0877","","","0.1453","0.2213","","","","","","1.025","","","","has coordinates,has disorder","260733","2021-01-07","06:11:31",""
"7705705","11.8776","0.0003","39.0337","0.0007","9.4164","0.0002","90","","103.027","0.002","90","","4253.34","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H42 Au Cl3 N O -","- C51 H42 Au Cl3 N O -","- C204 H168 Au4 Cl12 N4 O4 -","4","1","","Hsu, Ying-Feng; Chen, Ssu-Ying; Maity, Subhendu; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","A polymorphic pentiptycene-containing gold(I) isocyanide complex: solvent- and conformation-dependent supramolecular luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15602","15606","10.1039/d0dt03105d","","","0.71073","MoKα","","0.0724","0.0525","","","0.1329","0.146","","","","","","1.08","","","","has coordinates,has disorder","260733","2021-01-07","06:11:35",""
"7705706","11.8805","0.0005","33.876","0.003","9.5447","0.0004","90","","105.559","0.005","90","","3700.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H84 Au2 N2 O2 -","- C98 H84 Au2 N2 O2 -","- C196 H168 Au4 N4 O4 -","2","0.5","","Hsu, Ying-Feng; Chen, Ssu-Ying; Maity, Subhendu; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","A polymorphic pentiptycene-containing gold(I) isocyanide complex: solvent- and conformation-dependent supramolecular luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15602","15606","10.1039/d0dt03105d","","","1.54178","CuKα","","0.1789","0.1048","","","0.2536","0.2985","","","","","","1.178","","","","has coordinates","260733","2021-01-07","06:11:36",""
"7705707","15.3831","0.0004","23.2901","0.0004","24.8211","0.0005","90","","100.617","0.002","90","","8740.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H46 Au Cl4 N O -","- C51 H46 Au Cl4 N O -","- C408 H368 Au8 Cl32 N8 O8 -","8","2","","Hsu, Ying-Feng; Chen, Ssu-Ying; Maity, Subhendu; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","A polymorphic pentiptycene-containing gold(I) isocyanide complex: solvent- and conformation-dependent supramolecular luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15602","15606","10.1039/d0dt03105d","","","0.71073","MoKα","","0.122","0.0877","","","0.2523","0.2672","","","","","","1.566","","","","has coordinates","294865","2024-09-24","08:56:34",""
"7705708","12.3927","0.0005","10.6107","0.0004","15.1024","0.0005","90","","101.267","0.003","90","","1947.62","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Br O3 P -","- C21 H24 Br O3 P -","- C84 H96 Br4 O12 P4 -","4","1","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","","1.54186","CuKα","","0.039","0.0368","","","0.0812","0.0827","","","","","","1.072","","","","has coordinates,has disorder","260749","2021-01-07","06:18:08",""
"7705709","7.6543","0.0006","11.3119","0.0008","11.4882","0.0009","115.082","0.006","97.147","0.006","106.395","0.006","829.47","0.13","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H16 Br F4 O3 P -","- C13 H16 Br F4 O3 P -","- C26 H32 Br2 F8 O6 P2 -","2","1","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","","1.54186","CuKα","","0.0406","0.0392","","","0.106","0.1087","","","","","","1.052","","","","has coordinates","260749","2021-01-07","06:18:08",""
"7705710","15.3724","0.0007","20.4341","0.0006","16.3173","0.0006","90","","97.312","0.003","90","","5083.9","0.3","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H63 N3 Nd O18 P3 -","- C39 H63 N3 Nd O18 P3 -","- C156 H252 N12 Nd4 O72 P12 -","4","2","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","","0.71073","MoKα","","0.0572","0.0432","","","0.1052","0.1162","","","","","","1.035","","","","has coordinates,has disorder","260749","2021-01-07","06:18:08",""
"7705711","14.0648","0.0005","29.1214","0.0012","14.285","0.0005","90","","116.184","0.002","90","","5250.5","0.4","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H120 Br6 Cl6 Nd2 O18 P6 -","- C78 H120 Br6 Cl6 Nd2 O18 P6 -","- C156 H240 Br12 Cl12 Nd4 O36 P12 -","2","0.5","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","","1.54186","CuKα","","0.1151","0.0965","","","0.2608","0.2872","","","","","","1.053","","","","has coordinates","260749","2021-01-07","06:18:08",""
"7705712","15.047","0.0005","21.2523","0.0007","16.365","0.0006","90","","97.899","0.003","90","","5183.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H63 Dy N3 O18 P3 -","- C39 H63 Dy N3 O18 P3 -","- C156 H252 Dy4 N12 O72 P12 -","4","1","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","x-ray","0.71073","MoKα","","0.0358","0.0286","","","0.0705","0.0751","","","","","","1.037","","","","has coordinates,has disorder","260749","2021-01-07","06:18:08",""
"7705713","13.3443","0.0019","14.464","0.002","16.184","0.002","111.069","0.01","110.094","0.011","91.11","0.012","2700.8","0.7","100","2","100","","","","","","","","","8","P -1","-P 1","2","","","","- C39 H50 Br3 Cl3 Er F12 O10 P3 -","- C39 H50 Br3 Cl3 Er F12 O10 P3 -","- C78 H100 Br6 Cl6 Er2 F24 O20 P6 -","2","1","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","x-ray","0.71073","MoKα","","0.0985","0.0594","","","0.1408","0.1681","","","","","","1.121","","","","has coordinates","260749","2021-01-07","06:18:08",""
"7705714","16.438","0.0003","20.2226","0.0003","20.3926","0.0003","61.933","0.001","70.494","0.001","67.9","0.001","5439.19","0.16","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H60 Br3 N3 Nd O18 P3 -","- C39 H60 Br3 N3 Nd O18 P3 -","- C156 H240 Br12 N12 Nd4 O72 P12 -","4","2","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","","1.54186","CuKα","","0.0355","0.0341","","","0.0892","0.0902","","","","","","1.039","","","","has coordinates,has disorder","260749","2021-01-07","06:18:08",""
"7705715","13.4866","0.0011","14.6216","0.0017","16.3342","0.0012","110.663","0.007","110.117","0.006","91.21","0.008","2792.5","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H50 Br3 Cl3 Dy F12 O10 P3 -","- C39 H50 Br3 Cl3 Dy F12 O10 P3 -","- C78 H100 Br6 Cl6 Dy2 F24 O20 P6 -","2","1","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","","0.71073","MoKα","","0.1052","0.0597","","","0.1162","0.1435","","","","","","1.097","","","","has coordinates","260749","2021-01-07","06:18:08",""
"7705716","11.2192","0.0004","13.3757","0.0004","20.6992","0.0007","101.357","0.003","98.671","0.003","111.903","0.002","2738.39","0.18","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H66 Br2 Cl3 Dy O9 P2 -","- C48 H66 Br2 Cl3 Dy O9 P2 -","- C96 H132 Br4 Cl6 Dy2 O18 P4 -","2","1","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","","1.54186","CuKα","","0.0475","0.047","","","0.1309","0.1317","","","","","","1.038","","","","has coordinates,has disorder","260749","2021-01-07","06:18:08",""
"7705717","14.0316","0.0006","28.3123","0.0014","14.2123","0.0006","90","","116.555","0.003","90","","5050.4","0.4","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H120 Br6 Cl6 La2 O18 P6 -","- C78 H120 Br6 Cl6 La2 O18 P6 -","- C156 H240 Br12 Cl12 La4 O36 P12 -","2","0.5","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","","0.71073","MoKα","","0.0749","0.0531","","","0.1195","0.1346","","","","","","1.11","","","","has coordinates,has disorder","260749","2021-01-07","06:18:09",""
"7705718","13.6169","0.0007","15.8635","0.0009","17.6449","0.0008","103.591","0.004","100.785","0.004","111.726","0.004","3279.2","0.3","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H74 Br3 Cl3 Nd O10 P3 -","- C63 H74 Br3 Cl3 Nd O10 P3 -","- C126 H148 Br6 Cl6 Nd2 O20 P6 -","2","1","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","","0.71073","MoKα","","0.0898","0.0477","","","0.0943","0.1118","","","","","","1.057","","","","has coordinates","260749","2021-01-07","06:18:09",""
"7705719","13.9287","0.0004","13.9984","0.0004","14.8205","0.0004","91.1","0.002","104.058","0.002","119.094","0.002","2417.11","0.13","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H126 Cl6 La2 O18 P6 -","- C78 H126 Cl6 La2 O18 P6 -","- C78 H126 Cl6 La2 O18 P6 -","1","0.5","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","","1.54186","CuKα","","0.0279","0.0272","","","0.075","0.0755","","","","","","1.078","","","","has coordinates","260749","2021-01-07","06:18:09",""
"7705720","21.3578","0.0006","16.3493","0.0006","22.3921","0.0006","90","","115.243","0.002","90","","7072.3","0.4","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H80 Br3 Cl3 Er O10 P3 -","- C67 H80 Br3 Cl3 Er O10 P3 -","- C268 H320 Br12 Cl12 Er4 O40 P12 -","4","1","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","","1.54186","CuKα","","0.076","0.0661","","","0.1761","0.1915","","","","","","1.038","","","","has coordinates","260749","2021-01-07","06:18:09",""
"7705721","13.4455","0.0005","13.7347","0.0006","15.6918","0.0007","97.274","0.003","98.726","0.003","93.626","0.003","2831.1","0.2","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C106 H128 Br6 Cl6 La2 O16 P4 -","- C106 H128 Br6 Cl6 La2 O16 P4 -","- C106 H128 Br6 Cl6 La2 O16 P4 -","1","0.5","","Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf","Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16683","16692","10.1039/d0dt03047c","","","0.71073","MoKα","","0.0728","0.0437","","","0.0885","0.1035","","","","","","1.079","","","","has coordinates,has disorder","260749","2021-01-07","06:18:09",""
"7705722","9.4383","0.0005","10.7965","0.0006","11.0469","0.0004","109.736","0.004","100.143","0.004","90.382","0.005","1040.34","0.09","298.15","","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 Dy2 N8 O12 -","- C36 H42 Dy2 N8 O12 -","- C36 H42 Dy2 N8 O12 -","1","0.5","","Su, Sen-Da; Li, Jia-Xin; Xu, Fan; Wang, Chen-Xiao; Wang, Kai; Li, Yan; Zhang, Shu-Hua; Zhang, Xiu-Qing; Zhang, Yi-Quan; Liang, Fu-Pei","Dy<sup>III</sup> single-molecule magnets from ligands incorporating both amine and acylhydrazine Schiff base groups: the centrosymmetric {Dy<sub>2</sub>} displaying dual magnetic relaxation behaviors.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15739","15749","10.1039/c9dt04434e","","x-ray","0.71073","MoKα","","0.0324","0.0273","","","0.0522","0.0543","","","","","","1.04","","","","has coordinates","260732","2021-01-07","06:11:15",""
"7705723","9.4259","0.0004","10.7569","0.0003","11.1938","0.0003","109.174","0.003","100.065","0.003","90.167","0.003","1053.3","0.06","302.13","0.1","302.13","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 Dy2 N8 O12 -","- C38 H46 Dy2 N8 O12 -","- C38 H46 Dy2 N8 O12 -","1","0.5","","Su, Sen-Da; Li, Jia-Xin; Xu, Fan; Wang, Chen-Xiao; Wang, Kai; Li, Yan; Zhang, Shu-Hua; Zhang, Xiu-Qing; Zhang, Yi-Quan; Liang, Fu-Pei","Dy<sup>III</sup> single-molecule magnets from ligands incorporating both amine and acylhydrazine Schiff base groups: the centrosymmetric {Dy<sub>2</sub>} displaying dual magnetic relaxation behaviors.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15739","15749","10.1039/c9dt04434e","","x-ray","0.71073","MoKα","","0.0388","0.034","","","0.085","0.087","","","","","","1.044","","","","has coordinates","260732","2021-01-07","06:11:15",""
"7705724","24.8663","0.0014","25.6934","0.0013","33.2952","0.0017","90","","94.804","0.002","90","","21197.6","1.9","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C193.5 H226 Dy12 N24 O61.5 -","- C193.5 H226 Dy12 N24 O61.5 -","- C774 H904 Dy48 N96 O246 -","4","1","","Su, Sen-Da; Li, Jia-Xin; Xu, Fan; Wang, Chen-Xiao; Wang, Kai; Li, Yan; Zhang, Shu-Hua; Zhang, Xiu-Qing; Zhang, Yi-Quan; Liang, Fu-Pei","Dy<sup>III</sup> single-molecule magnets from ligands incorporating both amine and acylhydrazine Schiff base groups: the centrosymmetric {Dy<sub>2</sub>} displaying dual magnetic relaxation behaviors.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15739","15749","10.1039/c9dt04434e","","","0.71073","MoKα","","0.0981","0.0539","","","0.1204","0.1476","","","","","","1.09","","","","has coordinates,has disorder","260732","2021-01-07","06:11:15",""
"7705725","4.854","0.001","21.542","0.004","15.408","0.003","90","","92.6","0.03","90","","1609.5","0.5","173","2","173.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N3 -","- C21 H21 N3 -","- C84 H84 N12 -","4","1","","Zhang, Shanshan; Wang, Zheng; Cao, Qianrong; Yue, Erlin; Liu, Qingbin; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Aza-crown compounds synthesised by the self-condensation of 2-amino-benzyl alcohol over a pincer ruthenium catalyst and applied in the transfer hydrogenation of ketones.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15821","15827","10.1039/d0dt03257c","","","0.71073","MoKα","","0.0717","0.0687","","","0.1642","0.1665","","","","","","1.152","","","","has coordinates","260735","2021-01-07","06:11:57",""
"7705726","18","0.004","7.9196","0.0016","19.361","0.004","90","","93.93","0.03","90","","2753.5","1","173.15","","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 N5 -","- C35 H33 N5 -","- C140 H132 N20 -","4","1","","Zhang, Shanshan; Wang, Zheng; Cao, Qianrong; Yue, Erlin; Liu, Qingbin; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Aza-crown compounds synthesised by the self-condensation of 2-amino-benzyl alcohol over a pincer ruthenium catalyst and applied in the transfer hydrogenation of ketones.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15821","15827","10.1039/d0dt03257c","","","0.71073","MoKα","","0.0923","0.0791","","","0.1652","0.1746","","","","","","1.0387","","","","has coordinates","260735","2021-01-07","06:11:57",""
"7705727","18.3316","0.001","32.7986","0.0014","8.1963","0.0003","90","","90","","90","","4928","0.4","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H24 Bi2 I14 N4 -","- C20 H24 Bi2 I14 N4 -","- C80 H96 Bi8 I56 N16 -","4","0.5","","Möbs, Jakob; Gerhard, Marina; Heine, Johanna","(HPy)<sub>2</sub>(Py)CuBi<sub>3</sub>I<sub>12</sub>, a low bandgap metal halide photoconductor.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14397","14400","10.1039/d0dt03427d","","x-ray","0.71073","MoKα","","0.1027","0.0714","","","0.224","0.2374","","","","","","1.072","","","","has coordinates,has disorder","258731","2020-11-04","20:00:40",""
"7705728","8.5623","0.0006","18.844","0.001","28.796","0.002","90","","90","","90","","4646.2","0.5","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C23 H38 Bi2 I9 N3 O4 -","- C23 H38 Bi2 I9 N3 O4 -","- C92 H152 Bi8 I36 N12 O16 -","4","0.5","","Möbs, Jakob; Gerhard, Marina; Heine, Johanna","(HPy)<sub>2</sub>(Py)CuBi<sub>3</sub>I<sub>12</sub>, a low bandgap metal halide photoconductor.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14397","14400","10.1039/d0dt03427d","","x-ray","0.71073","MoKα","","0.0478","0.0346","","","0.0806","0.0827","","","","","","0.954","","","","has coordinates,has disorder","258731","2020-11-04","20:00:41",""
"7705729","8.5313","0.0005","18.8548","0.001","28.583","0.002","90","","90","","90","","4597.7","0.5","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C23 H38 I9 N3 O4 Sb2 -","- C23 H38 I9 N3 O4 Sb2 -","- C92 H152 I36 N12 O16 Sb8 -","4","0.5","","Möbs, Jakob; Gerhard, Marina; Heine, Johanna","(HPy)<sub>2</sub>(Py)CuBi<sub>3</sub>I<sub>12</sub>, a low bandgap metal halide photoconductor.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14397","14400","10.1039/d0dt03427d","","","0.71073","MoKα","","0.103","0.0622","","","0.1449","0.1647","","","","","","1.027","","","","has coordinates,has disorder","258731","2020-11-04","20:00:42",""
"7705730","14.6088","0.0006","23.6348","0.0009","9.9053","0.0004","90","","90","","90","","3420.1","0.2","100","","100.01","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H18 Bi2 I9 N3 -","- C15 H18 Bi2 I9 N3 -","- C60 H72 Bi8 I36 N12 -","4","0.5","","Möbs, Jakob; Gerhard, Marina; Heine, Johanna","(HPy)<sub>2</sub>(Py)CuBi<sub>3</sub>I<sub>12</sub>, a low bandgap metal halide photoconductor.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14397","14400","10.1039/d0dt03427d","","","0.71073","MoKα","","0.0535","0.032","","","0.043","0.0468","","","","","","1.073","","","","has coordinates,has disorder","258731","2020-11-04","20:00:42",""
"7705731","19.4579","0.0008","19.9643","0.0006","12.4327","0.0005","90","","107.255","0.003","90","","4612.3","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H64 Bi6 I22 N4 O8 -","- C36 H64 Bi6 I22 N4 O8 -","- C72 H128 Bi12 I44 N8 O16 -","2","0.5","","Möbs, Jakob; Gerhard, Marina; Heine, Johanna","(HPy)<sub>2</sub>(Py)CuBi<sub>3</sub>I<sub>12</sub>, a low bandgap metal halide photoconductor.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14397","14400","10.1039/d0dt03427d","","x-ray","0.71073","MoKα","","0.0471","0.0328","","","0.0792","0.0819","","","","","","1.008","","","","has coordinates","258731","2020-11-04","20:00:42",""
"7705732","9.9152","0.0005","10.0648","0.0005","11.4957","0.0006","64.871","0.001","78.306","0.002","85.68","0.002","1017","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16.8 Bi3 Cu1.2 I12 N3 -","- C15 H16.8 Bi3 Cu1.2 I12 N3 -","- C15 H16.8 Bi3 Cu1.2 I12 N3 -","1","0.5","","Möbs, Jakob; Gerhard, Marina; Heine, Johanna","(HPy)<sub>2</sub>(Py)CuBi<sub>3</sub>I<sub>12</sub>, a low bandgap metal halide photoconductor.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14397","14400","10.1039/d0dt03427d","","","0.71073","MoKα","","0.0539","0.0364","","","0.0534","0.0568","","","","","","1.074","","","","has coordinates,has disorder","258731","2020-11-04","20:00:42",""
"7705733","10.7505","0.0007","11.6799","0.0008","13.02","0.0013","102.317","0.007","111.546","0.007","109.35","0.005","1326.1","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H16 Bi2 I7 N O2 -","- C9 H16 Bi2 I7 N O2 -","- C18 H32 Bi4 I14 N2 O4 -","2","1","","Möbs, Jakob; Gerhard, Marina; Heine, Johanna","(HPy)<sub>2</sub>(Py)CuBi<sub>3</sub>I<sub>12</sub>, a low bandgap metal halide photoconductor.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14397","14400","10.1039/d0dt03427d","","","0.71073","MoKα","","0.0425","0.0246","","","0.0459","0.0482","","","","","","0.935","","","","has coordinates","258731","2020-11-04","20:00:43",""
"7705734","9.9874","0.0006","10.1149","0.0006","11.6385","0.0007","65.08","0.002","78.747","0.002","86.282","0.002","1045.58","0.11","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 Bi3 Cu I12 N3 -","- C15 H17 Bi3 Cu I12 N3 -","- C15 H17 Bi3 Cu I12 N3 -","1","0.5","","Möbs, Jakob; Gerhard, Marina; Heine, Johanna","(HPy)<sub>2</sub>(Py)CuBi<sub>3</sub>I<sub>12</sub>, a low bandgap metal halide photoconductor.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14397","14400","10.1039/d0dt03427d","","","0.71073","MoKα","","0.0642","0.0484","","","0.1134","0.1195","","","","","","1.168","","","","has coordinates,has disorder","258731","2020-11-04","20:00:43",""
"7705735","15.2422","0.0006","16.9179","0.0006","27.128","0.0016","90","","99.245","0.004","90","","6904.5","0.6","130.01","0.1","130.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C18 H38 Bi Cl3 N10 O14 -","- C18 H38 Bi Cl3 N10 O14 -","- C144 H304 Bi8 Cl24 N80 O112 -","8","1","","Lange, Jaclyn L.; Davey, Patrick R. W. J.; Ma, Michelle T.; White, Jonathan M.; Morgenstern, Alfred; Bruchertseifer, Frank; Blower, Philip J.; Paterson, Brett M.","An octadentate bis(semicarbazone) macrocycle: a potential chelator for lead and bismuth radiopharmaceuticals.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14962","14974","10.1039/d0dt02673e","","x-ray","0.71073","MoKα","","0.0455","0.0424","","","0.1098","0.1116","","","","","","1.03","","","","has coordinates,has disorder","258732","2020-11-04","20:05:50",""
"7705736","13.395","0.0007","20.6036","0.0012","26.808","0.0014","95.435","0.004","101.326","0.004","102.064","0.005","7022.8","0.7","130","0.1","130","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H80 B2 N10 O2 -","- C66 H80 B2 N10 O2 -","- C264 H320 B8 N40 O8 -","4","2","","Lange, Jaclyn L.; Davey, Patrick R. W. J.; Ma, Michelle T.; White, Jonathan M.; Morgenstern, Alfred; Bruchertseifer, Frank; Blower, Philip J.; Paterson, Brett M.","An octadentate bis(semicarbazone) macrocycle: a potential chelator for lead and bismuth radiopharmaceuticals.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14962","14974","10.1039/d0dt02673e","","x-ray","1.54184","CuKα","","0.1392","0.0758","","","0.1861","0.2275","","","","","","0.93","","","","has coordinates","258732","2020-11-04","20:05:51",""
"7705737","12.2202","0.0003","15.0117","0.0003","18.5855","0.0006","95.581","0.002","108.614","0.002","99.64","0.002","3143.75","0.15","130.01","0.1","130.01","0.1","","","","","","","","6","P 1","P 1","1","","","","- C18 H37 Cl2 N10 O12.5 Pb -","- C18 H38 Cl2 N10 O12.5 Pb -","- C72 H152 Cl8 N40 O50 Pb4 -","4","4","","Lange, Jaclyn L.; Davey, Patrick R. W. J.; Ma, Michelle T.; White, Jonathan M.; Morgenstern, Alfred; Bruchertseifer, Frank; Blower, Philip J.; Paterson, Brett M.","An octadentate bis(semicarbazone) macrocycle: a potential chelator for lead and bismuth radiopharmaceuticals.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14962","14974","10.1039/d0dt02673e","","x-ray","0.71073","MoKα","","0.0329","0.0314","","","0.0707","0.0717","","","","","","1.024","","","","has coordinates,has disorder","258732","2020-11-04","20:05:51",""
"7705738","3.6911","0.0005","3.6911","0.0005","19.146","0.004","90","","90","","90","","260.85","0.07","100","2","100","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ga Ni5.8 Te2 -","- Ga Ni5.794 Te2 -","- Ga2 Ni11.588 Te4 -","2","0.0625","","Stroganova, Ekaterina A.; Kazakov, Sergey M.; Efimov, Nikolay N.; Khrustalev, Victor N.; Keilholz, Simon; Götze, Andre; Kohlmann, Holger; Kuznetsov, Alexey N.","Nickel - p-block metal mixed chalcogenides based on AuCu<sub>3</sub>-type fragments: iodine-assisted synthesis as a way of obtaining new structures.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15081","15094","10.1039/d0dt03082a","","","0.80246","synchrotron","","0.038","0.0363","","","0.0957","0.097","","","","","","1.074","","","","has coordinates","258733","2020-11-04","20:08:09",""
"7705739","12.7558","0.0015","15.2686","0.0017","19.312","0.002","87.366","0.004","79.437","0.004","84.981","0.004","3681.6","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H61 B F22 N2 P2 -","- C78 H56 B F21 N2 P2 -","- C156 H112 B2 F42 N4 P4 -","2","1","","Beer, Henrik; Bläsing, Kevin; Bresien, Jonas; Chojetzki, Lukas; Schulz, Axel; Stoer, Philip; Villinger, Alexander","Trapping of Brønsted acids with a phosphorus-centered biradicaloid - synthesis of hydrogen pseudohalide addition products.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13655","13662","10.1039/d0dt03251d","","","0.71073","MoKα","","0.0855","0.0561","","","0.1269","0.1385","","","","","","1.035","","","","has coordinates,has disorder","258734","2020-11-04","20:16:02",""
"7705740","16.4774","0.001","15.4422","0.001","16.5828","0.0009","90","","91.484","0.002","90","","4218","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H51 N5 P2 -","- C48 H51 N5 P2 -","- C192 H204 N20 P8 -","4","1","","Beer, Henrik; Bläsing, Kevin; Bresien, Jonas; Chojetzki, Lukas; Schulz, Axel; Stoer, Philip; Villinger, Alexander","Trapping of Brønsted acids with a phosphorus-centered biradicaloid - synthesis of hydrogen pseudohalide addition products.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13655","13662","10.1039/d0dt03251d","","","0.71073","MoKα","","0.0615","0.0463","","","0.1292","0.1433","","","","","","1.082","","","","has coordinates","258734","2020-11-04","20:16:02",""
"7705741","12.6722","0.0011","20.9488","0.0019","16.0188","0.0015","90","","105.781","0.003","90","","4092.2","0.6","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H51 N2 O P3 -","- C49.001 H51.001 N2 O1.001 P3.001 -","- C196.004 H204.004 N8 O4.004 P12.004 -","4","1","","Beer, Henrik; Bläsing, Kevin; Bresien, Jonas; Chojetzki, Lukas; Schulz, Axel; Stoer, Philip; Villinger, Alexander","Trapping of Brønsted acids with a phosphorus-centered biradicaloid - synthesis of hydrogen pseudohalide addition products.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13655","13662","10.1039/d0dt03251d","","","0.71073","MoKα","","0.096","0.0529","","","0.1134","0.1347","","","","","","1.008","","","","has coordinates,has disorder","258734","2020-11-04","20:16:03",""
"7705742","12.7266","0.0006","20.713","0.001","16.2878","0.0008","90","","105.289","0.002","90","","4141.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H51 N3 P2 -","- C49 H51 N3 P2 -","- C196 H204 N12 P8 -","4","1","","Beer, Henrik; Bläsing, Kevin; Bresien, Jonas; Chojetzki, Lukas; Schulz, Axel; Stoer, Philip; Villinger, Alexander","Trapping of Brønsted acids with a phosphorus-centered biradicaloid - synthesis of hydrogen pseudohalide addition products.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13655","13662","10.1039/d0dt03251d","","","0.71073","MoKα","","0.0979","0.0667","","","0.1356","0.1483","","","","","","1.129","","","","has coordinates,has disorder","258734","2020-11-04","20:16:03",""
"7705743","12.4228","0.0014","20.972","0.002","16.3967","0.0018","90","","108.795","0.002","90","","4044.1","0.7","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H51 Cl N2 P2 -","- C48 H51 Cl N2 P2 -","- C192 H204 Cl4 N8 P8 -","4","1","","Beer, Henrik; Bläsing, Kevin; Bresien, Jonas; Chojetzki, Lukas; Schulz, Axel; Stoer, Philip; Villinger, Alexander","Trapping of Brønsted acids with a phosphorus-centered biradicaloid - synthesis of hydrogen pseudohalide addition products.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13655","13662","10.1039/d0dt03251d","","","0.71073","MoKα","","0.0887","0.058","","","0.1288","0.142","","","","","","1.062","","","","has coordinates,has disorder","258734","2020-11-04","20:16:03",""
"7705744","16.5127","0.001","15.4285","0.0008","16.5927","0.0009","90","","91.549","0.002","90","","4225.7","0.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H51 N3 O P2 -","- C49 H51 N3 O P2 -","- C196 H204 N12 O4 P8 -","4","1","","Beer, Henrik; Bläsing, Kevin; Bresien, Jonas; Chojetzki, Lukas; Schulz, Axel; Stoer, Philip; Villinger, Alexander","Trapping of Brønsted acids with a phosphorus-centered biradicaloid - synthesis of hydrogen pseudohalide addition products.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13655","13662","10.1039/d0dt03251d","","","0.71073","MoKα","","0.076","0.0465","","","0.1141","0.1349","","","","","","1.075","","","","has coordinates","258734","2020-11-04","20:16:03",""
"7705745","10.8878","0.0005","19.191","0.0009","31.0546","0.0013","90","","98.354","0.002","90","","6419.9","0.5","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","bi[s(acetonitrile)bis[diphenylphosphanyl)2-benzyl]trichlorodiruthenium tetrafluo","bis(acetonitrile)bis[N,N-bis(diphenylphosphanyl)2-benzyl-k2 P,P] trichlorodiruthenium tetrafluoroborate","","- C66 H60 B Cl3 F4 N4 P4 Ru2 -","- C66 H60 B Cl3 F4 N4 P4 Ru2 -","- C264 H240 B4 Cl12 F16 N16 P16 Ru8 -","4","1","","da Silva, Juliana P.; Fuganti, Otávio; Kramer, M. Gabriela; Facchin, Gianella; Aquino, Lucas E. N.; Ellena, Javier; Back, Davi F.; Gondim, Ana C. S.; Sousa, Eduardo H. S.; Lopes, Luiz G. F.; Machado, Silvane; Guimarães, Ivelise D L; Wohnrath, Karen; de Araujo, Márcio P","Electrochemical, mechanistic, and DFT studies of amine derived diphosphines containing Ru(II)-cymene complexes with potent <i>in vitro</i> cytotoxic activity against HeLa and triple-negative breast cancer cells MDA-MB-231.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16498","16514","10.1039/d0dt02500c","","","0.71073","MoKα","","0.1663","0.0665","","","0.1038","0.1165","","","","","","1","","","","has coordinates","259387","2020-12-01","03:12:17",""
"7705746","10.796","0.0006","12.236","0.0007","15.309","0.0005","96.965","0.003","91.221","0.003","97.427","0.002","1989.15","0.17","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C41 H41.5 B Cl F4 N O0.25 P2 Ru -","- C41 H41.5 B Cl F4 N O0.25 P2 Ru -","- C82 H83 B2 Cl2 F8 N2 O0.5 P4 Ru2 -","2","1","","da Silva, Juliana P.; Fuganti, Otávio; Kramer, M. Gabriela; Facchin, Gianella; Aquino, Lucas E. N.; Ellena, Javier; Back, Davi F.; Gondim, Ana C. S.; Sousa, Eduardo H. S.; Lopes, Luiz G. F.; Machado, Silvane; Guimarães, Ivelise D L; Wohnrath, Karen; de Araujo, Márcio P","Electrochemical, mechanistic, and DFT studies of amine derived diphosphines containing Ru(II)-cymene complexes with potent <i>in vitro</i> cytotoxic activity against HeLa and triple-negative breast cancer cells MDA-MB-231.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16498","16514","10.1039/d0dt02500c","","x-ray","0.7107","MoKα","","0.0735","0.0515","","","0.1359","0.1483","","","","","","1.07","","","","has coordinates,has disorder","259387","2020-12-01","03:12:19",""
"7705749","12.0235","0.0006","14.4027","0.0007","17.5331","0.0008","105.429","0.0007","103.493","0.0006","94.0182","0.0006","2817.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H40 Cl Ir N2 O2 Si2 -","- C24 H40 Cl Ir N2 O2 Si2 -","- C96 H160 Cl4 Ir4 N8 O8 Si8 -","4","2","","Guzmán, Jefferson; Bernal, Ana M.; García-Orduña, Pilar; Lahoz, Fernando J.; Polo, Víctor; Fernández-Alvarez, Francisco J","2-Pyridone-stabilized iridium silylene/silyl complexes: structure and QTAIM analysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17665","17673","10.1039/d0dt03326j","","","0.71073","MoKα","","0.0301","0.0247","","","0.0627","0.0655","","","","","","1.034","","","","has coordinates","260770","2021-01-07","06:24:43",""
"7705750","9.2857","0.0005","11.6094","0.0006","14.774","0.0008","91.061","0.001","96.468","0.001","104.489","0.001","1530.38","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H40 F3 Ir N2 O4 Si2 -","- C26 H40 F3 Ir N2 O4 Si2 -","- C52 H80 F6 Ir2 N4 O8 Si4 -","2","1","","Guzmán, Jefferson; Bernal, Ana M.; García-Orduña, Pilar; Lahoz, Fernando J.; Polo, Víctor; Fernández-Alvarez, Francisco J","2-Pyridone-stabilized iridium silylene/silyl complexes: structure and QTAIM analysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17665","17673","10.1039/d0dt03326j","","","0.71073","MoKα","","0.0355","0.0313","","","0.0709","0.0734","","","","","","1.044","","","","has coordinates,has disorder","260770","2021-01-07","06:24:43",""
"7705751","10.4264","0.0006","16.6127","0.0009","18.0892","0.001","90","","90.609","0.001","90","","3133.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 F3 Ir N2 O5 S Si2 -","- C25 H40 F3 Ir N2 O5 S Si2 -","- C100 H160 F12 Ir4 N8 O20 S4 Si8 -","4","1","","Guzmán, Jefferson; Bernal, Ana M.; García-Orduña, Pilar; Lahoz, Fernando J.; Polo, Víctor; Fernández-Alvarez, Francisco J","2-Pyridone-stabilized iridium silylene/silyl complexes: structure and QTAIM analysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17665","17673","10.1039/d0dt03326j","","","0.71073","MoKα","","0.0378","0.0268","","","0.055","0.0581","","","","","","1.034","","","","has coordinates,has disorder","260770","2021-01-07","06:24:43",""
"7705756","24.5656","0.0012","20.2178","0.0006","27.3542","0.0013","90","","119.282","0.006","90","","11849.8","1.1","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H129 Co11 N16 O56 S8 -","- C78 H129 Co11 N16 O56 S8 -","- C312 H516 Co44 N64 O224 S32 -","4","0.5","","Jiang, Li-Ping; Kurmoo, Mohamedally; Zeng, Ming-Hua","The dominance of sulfate over two organic ligands in the solvothermal assembly of an undecanuclear cobaltous cluster: crystallography and mass spectrometry.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17683","17688","10.1039/d0dt02880k","","x-ray","1.54184","CuKα","","0.0967","0.0787","","","0.2256","0.2429","","","","","","1.066","","","","has coordinates,has disorder","260765","2021-01-07","06:23:44",""
"7705757","10.2725","0.0018","12.332","0.002","12.943","0.004","106.574","0.004","107.651","0.004","105.595","0.002","1379.5","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H44 Cd3 Cs3 O58 Ru6 -","- C12 H44 Cd3 Cs3 O58 Ru6 -","- C12 H44 Cd3 Cs3 O58 Ru6 -","1","0.5","","Feng, Li-Na; Tian, Yu-Chen; Li, Jing-Yu; Yang, Jian-Hui; Liu, Bin","Grinding enhances the magnetic hardness of heterometallic diruthenium(ii,iii) carbonates with a kagome lattice structure.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17152","17156","10.1039/d0dt03807e","","","0.71073","MoKα","","0.071","0.0488","","","0.1312","0.1511","","","","","","1.009","","","","has coordinates","260750","2021-01-07","06:18:27",""
"7705758","9.1845","0.0002","10.3327","0.0002","11.9654","0.0002","98.419","0.001","108.109","0.001","91.791","0.001","1064.08","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Eu N6 O12 -","- C17 H17 Eu N6 O12 -","- C34 H34 Eu2 N12 O24 -","2","1","","de Bettencourt-Dias, Ana; Rossini, Jeffrey S. K.; Sobrinho, Josiane A.","Effect of the aromatic substituent on the <i>para</i>-position of pyridine-bis(oxazoline) sensitizers on the emission efficiency of their Eu<sup>III</sup> and Tb<sup>III</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17699","17708","10.1039/d0dt03135f","","","0.71073","MoKα","","0.0235","0.0208","","","0.0502","0.0525","","","","","","1.069","","","","has coordinates","260760","2021-01-07","06:20:35",""
"7705759","16.3794","0.0004","7.2856","0.0002","11.7073","0.0003","90","","97.229","0.001","90","","1385.97","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","1","","de Bettencourt-Dias, Ana; Rossini, Jeffrey S. K.; Sobrinho, Josiane A.","Effect of the aromatic substituent on the <i>para</i>-position of pyridine-bis(oxazoline) sensitizers on the emission efficiency of their Eu<sup>III</sup> and Tb<sup>III</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17699","17708","10.1039/d0dt03135f","","","0.71073","MoKα","","0.0727","0.0539","","","0.14","0.1547","","","","","","1.026","","","","has coordinates","260760","2021-01-07","06:20:35",""
"7705760","7.8052","0.0001","11.891","0.0001","14.2668","0.0002","72.557","0.001","86.355","0.001","77.223","0.001","1231.95","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 N6 O14 Tb -","- C17 H15 N6 O14 Tb -","- C34 H30 N12 O28 Tb2 -","2","1","","de Bettencourt-Dias, Ana; Rossini, Jeffrey S. K.; Sobrinho, Josiane A.","Effect of the aromatic substituent on the <i>para</i>-position of pyridine-bis(oxazoline) sensitizers on the emission efficiency of their Eu<sup>III</sup> and Tb<sup>III</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17699","17708","10.1039/d0dt03135f","","","0.71073","MoKα","","0.0459","0.0372","","","0.0952","0.099","","","","","","1.098","","","","has coordinates,has disorder","260760","2021-01-07","06:20:35",""
"7705761","5.9472","0.0002","16.0747","0.0006","14.3716","0.0005","90","","93.503","0.001","90","","1371.35","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N3 O2 S -","- C15.08 H13.08 N3 O2 S -","- C60.32 H52.32 N12 O8 S4 -","4","1","","de Bettencourt-Dias, Ana; Rossini, Jeffrey S. K.; Sobrinho, Josiane A.","Effect of the aromatic substituent on the <i>para</i>-position of pyridine-bis(oxazoline) sensitizers on the emission efficiency of their Eu<sup>III</sup> and Tb<sup>III</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17699","17708","10.1039/d0dt03135f","","","0.71073","MoKα","","0.0679","0.0531","","","0.1374","0.149","","","","","","1.034","","","","has coordinates,has disorder","260760","2021-01-07","06:20:35",""
"7705762","6.477","0.0015","13.825","0.002","19.041","0.003","90","","93.196","0.008","90","","1702.4","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 B Cr N O5 Si -","- C12 H18 B Cr N O5 Si -","- C48 H72 B4 Cr4 N4 O20 Si4 -","4","1","","Macha, Bret B.; Dhara, Debabrata; Radacki, Krzysztof; Dewhurst, Rian D.; Braunschweig, Holger","Intermetallic transfer of unsymmetrical borylene fragments: isolation of the second early-transition-metal terminal borylene complex and other rare species.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17719","17724","10.1039/d0dt03557b","","","0.71073","MoKα","","0.0414","0.0326","","","0.0814","0.0861","","","","","","1.074","","","","has coordinates,has disorder","260767","2021-01-07","06:24:01",""
"7705763","16.269","0.012","9.827","0.007","16.702","0.012","90","","123.96","0.02","90","","2215","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H32 B Co2 N O2 Si -","- C21 H32 B Co2 N O2 Si -","- C84 H128 B4 Co8 N4 O8 Si4 -","4","0.5","","Macha, Bret B.; Dhara, Debabrata; Radacki, Krzysztof; Dewhurst, Rian D.; Braunschweig, Holger","Intermetallic transfer of unsymmetrical borylene fragments: isolation of the second early-transition-metal terminal borylene complex and other rare species.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17719","17724","10.1039/d0dt03557b","","","0.71073","MoKα","","0.0597","0.0464","","","0.1231","0.1322","","","","","","1.068","","","","has coordinates,has disorder","260767","2021-01-07","06:24:02",""
"7705764","8.443","0.004","35.377","0.019","10.387","0.005","90","","97.236","0.014","90","","3078","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H51 B2 Ir N2 Si2 -","- C24 H51 B2 Ir N2 Si2 -","- C96 H204 B8 Ir4 N8 Si8 -","4","1","","Macha, Bret B.; Dhara, Debabrata; Radacki, Krzysztof; Dewhurst, Rian D.; Braunschweig, Holger","Intermetallic transfer of unsymmetrical borylene fragments: isolation of the second early-transition-metal terminal borylene complex and other rare species.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17719","17724","10.1039/d0dt03557b","","","0.71073","MoKα","","0.0332","0.028","","","0.0551","0.0565","","","","","","1.114","","","","has coordinates,has disorder","260767","2021-01-07","06:24:02",""
"7705765","15.031","0.004","6.621","0.0014","18.182","0.004","90","","105.893","0.012","90","","1740.3","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 B Mo N O5 Si -","- C12 H18 B Mo N O5 Si -","- C48 H72 B4 Mo4 N4 O20 Si4 -","4","1","","Macha, Bret B.; Dhara, Debabrata; Radacki, Krzysztof; Dewhurst, Rian D.; Braunschweig, Holger","Intermetallic transfer of unsymmetrical borylene fragments: isolation of the second early-transition-metal terminal borylene complex and other rare species.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17719","17724","10.1039/d0dt03557b","","","0.71073","MoKα","","0.0348","0.0268","","","0.0588","0.061","","","","","","1.106","","","","has coordinates","260767","2021-01-07","06:24:02",""
"7705766","12.436","0.003","9.8525","0.0018","16.497","0.003","90","","96.081","0.014","90","","2009.9","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 B N Ni2 O Si -","- C18 H28 B N Ni2 O Si -","- C72 H112 B4 N4 Ni8 O4 Si4 -","4","1","","Macha, Bret B.; Dhara, Debabrata; Radacki, Krzysztof; Dewhurst, Rian D.; Braunschweig, Holger","Intermetallic transfer of unsymmetrical borylene fragments: isolation of the second early-transition-metal terminal borylene complex and other rare species.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17719","17724","10.1039/d0dt03557b","","","0.71073","MoKα","","0.0533","0.0371","","","0.0913","0.097","","","","","","1.085","","","","has coordinates","260767","2021-01-07","06:24:02",""
"7705767","26.48","0.01","9.257","0.003","16.494","0.008","90","","100.343","0.008","90","","3977","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H28 B N Ni2 O Si -","- C18 H28 B N Ni2 O Si -","- C144 H224 B8 N8 Ni16 O8 Si8 -","8","1","","Macha, Bret B.; Dhara, Debabrata; Radacki, Krzysztof; Dewhurst, Rian D.; Braunschweig, Holger","Intermetallic transfer of unsymmetrical borylene fragments: isolation of the second early-transition-metal terminal borylene complex and other rare species.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17719","17724","10.1039/d0dt03557b","","","0.71073","MoKα","","0.0824","0.0416","","","0.0778","0.0888","","","","","","1.007","","","","has coordinates","260767","2021-01-07","06:24:02",""
"7705768","14.971","0.004","6.588","0.0018","18.181","0.004","90","","106.059","0.009","90","","1723.2","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 B N O5 Si W -","- C12 H18 B N O5 Si W -","- C48 H72 B4 N4 O20 Si4 W4 -","4","1","","Macha, Bret B.; Dhara, Debabrata; Radacki, Krzysztof; Dewhurst, Rian D.; Braunschweig, Holger","Intermetallic transfer of unsymmetrical borylene fragments: isolation of the second early-transition-metal terminal borylene complex and other rare species.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17719","17724","10.1039/d0dt03557b","","","0.71073","MoKα","","0.021","0.0184","","","0.0393","0.0399","","","","","","1.086","","","","has coordinates","260767","2021-01-07","06:24:02",""
"7705769","13.38","0.005","13.438","0.005","19.996","0.007","90","","90","","90","","3595","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H23 B N O3 Si V -","- C15 H23 B N O3 Si V -","- C120 H184 B8 N8 O24 Si8 V8 -","8","1","","Macha, Bret B.; Dhara, Debabrata; Radacki, Krzysztof; Dewhurst, Rian D.; Braunschweig, Holger","Intermetallic transfer of unsymmetrical borylene fragments: isolation of the second early-transition-metal terminal borylene complex and other rare species.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17719","17724","10.1039/d0dt03557b","","","0.71073","MoKα","","0.028","0.0232","","","0.06","0.064","","","","","","1.053","","","","has coordinates","260767","2021-01-07","06:24:02",""
"7705783","9.3283","0.0009","30.151","0.003","9.6156","0.0009","90","","90","","90","","2704.5","0.5","296","2","296.15","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C4 H16 N25 Na5 O5 S2 -","- C4 H16 N25 Na5 O5 S2 -","- C16 H64 N100 Na20 O20 S8 -","4","0.5","","Cao, Yuteng; Huang, Shiliang; Zhang, Qinghua; Zhang, Wenquan","A pentazolate-based bowl-shaped molecular container.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17542","17546","10.1039/d0dt03669b","","","0.71073","MoKα","","0.0502","0.0407","","","0.0874","0.094","","","","","","1.05","","","","has coordinates","260754","2021-01-07","06:19:36",""
"7705784","9.0531","0.0004","12.0362","0.0005","13.5471","0.0006","75.96","0.004","80.757","0.004","78.901","0.003","1395.18","0.11","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H28 F3 Fe N5 O3 S2 -","- C26 H28 F3 Fe N5 O3 S2 -","- C52 H56 F6 Fe2 N10 O6 S4 -","2","1","","Ekanayake, Danushka M.; Fischer, Anne A.; Elwood, Maya E.; Guzek, Alexandra M.; Lindeman, Sergey V.; Popescu, Codrina V.; Fiedler, Adam T.","Nonheme iron-thiolate complexes as structural models of sulfoxide synthase active sites.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17745","17757","10.1039/d0dt03403g","","x-ray","1.54184","CuKα","","0.0507","0.0443","","","0.1158","0.122","","","","","","1.045","","","","has coordinates","260758","2021-01-07","06:20:18",""
"7705785","18.4246","0.0003","10.08864","0.00008","16.8017","0.0003","90","","109.973","0.0018","90","","2935.24","0.08","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 F6 Fe N7 O6 S2 -","- C22 H23 F6 Fe N7 O6 S2 -","- C88 H92 F24 Fe4 N28 O24 S8 -","4","1","","Ekanayake, Danushka M.; Fischer, Anne A.; Elwood, Maya E.; Guzek, Alexandra M.; Lindeman, Sergey V.; Popescu, Codrina V.; Fiedler, Adam T.","Nonheme iron-thiolate complexes as structural models of sulfoxide synthase active sites.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17745","17757","10.1039/d0dt03403g","","x-ray","1.54184","CuKα","","0.0691","0.0654","","","0.1401","0.1423","","","","","","1.084","","","","has coordinates","260758","2021-01-07","06:20:19",""
"7705786","10.5475","0.0002","14.188","0.0003","14.5112","0.0004","78.014","0.002","89.101","0.002","86.0173","0.0019","2119.1","0.09","100.05","0.1","100.05","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C47 H53 B Cl Fe N6 S -","- C47 H53 B Cl Fe N6 S -","- C94 H106 B2 Cl2 Fe2 N12 S2 -","2","1","","Ekanayake, Danushka M.; Fischer, Anne A.; Elwood, Maya E.; Guzek, Alexandra M.; Lindeman, Sergey V.; Popescu, Codrina V.; Fiedler, Adam T.","Nonheme iron-thiolate complexes as structural models of sulfoxide synthase active sites.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17745","17757","10.1039/d0dt03403g","","x-ray","1.54184","CuKα","","0.0512","0.0472","","","0.1301","0.134","","","","","","1.067","","","","has coordinates,has disorder","260758","2021-01-07","06:20:19",""
"7705787","9.5013","0.0003","11.2872","0.0003","13.9411","0.0004","108.709","0.002","90.333","0.002","104.252","0.002","1366.64","0.07","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C20 H23 F6 Fe N7 O6 S2 -","- C20 H23 F6 Fe N7 O6 S2 -","- C40 H46 F12 Fe2 N14 O12 S4 -","2","1","","Ekanayake, Danushka M.; Fischer, Anne A.; Elwood, Maya E.; Guzek, Alexandra M.; Lindeman, Sergey V.; Popescu, Codrina V.; Fiedler, Adam T.","Nonheme iron-thiolate complexes as structural models of sulfoxide synthase active sites.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17745","17757","10.1039/d0dt03403g","","x-ray","0.71073","MoKα","","0.0564","0.0419","","","0.0922","0.1012","","","","","","1.05","","","","has coordinates,has disorder","260758","2021-01-07","06:20:19",""
"7705788","8.3324","0.0007","14.1207","0.0013","16.7259","0.0015","90","","90.053","0.005","90","","1968","0.3","150","2","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 B F3 N O3 S -","- C16 H25 B F3 N O3 S -","- C64 H100 B4 F12 N4 O12 S4 -","4","1","","Bamford, Karlee L.; Stephan, Douglas W.","Insertion reactions of the C-B-N-substituted borinium cation [MesBN<sup>i</sup>Pr<sub>2</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17571","17577","10.1039/d0dt03665j","","","0.71073","MoKα","","0.1448","0.0593","","","0.1045","0.1308","","","","","","1.001","","","","has coordinates,has disorder","260762","2021-01-07","06:22:27",""
"7705789","16.669","0.002","17.845","0.0018","17.41","0.002","90","","117.46","0.006","90","","4595.3","0.9","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H24 B Cl3 F20 N -","- C50 H24 B Cl3 F20 N -","- C200 H96 B4 Cl12 F80 N4 -","4","1","","Bamford, Karlee L.; Stephan, Douglas W.","Insertion reactions of the C-B-N-substituted borinium cation [MesBN<sup>i</sup>Pr<sub>2</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17571","17577","10.1039/d0dt03665j","","","0.71073","MoKα","","0.1557","0.0621","","","0.1278","0.1732","","","","","","1.036","","","","has coordinates,has disorder","260762","2021-01-07","06:22:38",""
"7705790","7.8721","0.0006","13.7189","0.0008","15.4418","0.0011","90","","103.396","0.003","90","","1622.29","0.19","150.15","","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H25 B Cl N -","- C15 H25 B Cl N -","- C60 H100 B4 Cl4 N4 -","4","1","","Bamford, Karlee L.; Stephan, Douglas W.","Insertion reactions of the C-B-N-substituted borinium cation [MesBN<sup>i</sup>Pr<sub>2</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17571","17577","10.1039/d0dt03665j","","","0.71073","MoKα","","0.0461","0.0372","","","0.0959","0.1029","","","","","","1.0558","","","","has coordinates","260762","2021-01-07","06:22:42",""
"7705791","10.5709","0.0004","11.4698","0.0005","28.3489","0.001","90","","90","","90","","3437.2","0.2","149.44","","149.44","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H39 B Cl7 Ga2 N3 -","- C22 H39 B Cl7 Ga2 N3 -","- C88 H156 B4 Cl28 Ga8 N12 -","4","1","","Bamford, Karlee L.; Stephan, Douglas W.","Insertion reactions of the C-B-N-substituted borinium cation [MesBN<sup>i</sup>Pr<sub>2</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17571","17577","10.1039/d0dt03665j","","","0.71073","MoKα","","0.0942","0.0462","","","0.0767","0.0868","","","","","","1.0099","","","","has coordinates","260762","2021-01-07","06:22:54",""
"7705792","9.4798","0.001","17.8564","0.0018","22.909","0.003","90","","90","","90","","3877.9","0.8","150","2","150.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H47 B Cl7 Ga2 N3 -","- C28 H47 B Cl7 Ga2 N3 -","- C112 H188 B4 Cl28 Ga8 N12 -","4","1","","Bamford, Karlee L.; Stephan, Douglas W.","Insertion reactions of the C-B-N-substituted borinium cation [MesBN<sup>i</sup>Pr<sub>2</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17571","17577","10.1039/d0dt03665j","","","0.71073","MoKα","","0.0877","0.0486","","","0.0813","0.0934","","","","","","1.0271","","","","has coordinates","260762","2021-01-07","06:23:07",""
"7705793","10.9","0.0004","10.3872","0.0003","15.0631","0.0005","90","","102.886","0.002","90","","1662.5","0.1","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C84 H64 N8 O8 -","4","1","","Mörtel, Max; Seller, Michael; Heinemann, Frank W.; Khusniyarov, Marat M.","A valence tautomeric cobalt-dioxolene complex with an anchoring group for prospective chemical grafting to metal oxides.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17532","17536","10.1039/d0dt03771k","","","0.71073","MoKα","","0.0794","0.0475","","","0.1095","0.136","","","","","","1.075","","","","has coordinates","260757","2021-01-07","06:20:03",""
"7705794","10.6539","0.0006","11.6692","0.0006","17.952","0.001","98.739","0.002","94.709","0.002","105.38","0.002","2109.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H56 Co N2 O6 -","- C49 H56 Co N2 O6 -","- C98 H112 Co2 N4 O12 -","2","1","","Mörtel, Max; Seller, Michael; Heinemann, Frank W.; Khusniyarov, Marat M.","A valence tautomeric cobalt-dioxolene complex with an anchoring group for prospective chemical grafting to metal oxides.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17532","17536","10.1039/d0dt03771k","","","0.71073","MoKα","","0.0763","0.0526","","","0.1095","0.1188","","","","","","1.059","","","","has coordinates","260757","2021-01-07","06:20:03",""
"7705795","10.8175","0.0004","11.909","0.0004","17.9599","0.0006","99.162","0.001","93.243","0.001","105.816","0.001","2185.5","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H56 Co N2 O6 -","- C49 H56 Co N2 O6 -","- C98 H112 Co2 N4 O12 -","2","1","","Mörtel, Max; Seller, Michael; Heinemann, Frank W.; Khusniyarov, Marat M.","A valence tautomeric cobalt-dioxolene complex with an anchoring group for prospective chemical grafting to metal oxides.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17532","17536","10.1039/d0dt03771k","","","0.71073","MoKα","","0.0882","0.0594","","","0.1299","0.1424","","","","","","1.054","","","","has coordinates,has disorder","260757","2021-01-07","06:20:03",""
"7705796","11.2025","0.0002","10.8541","0.0002","8.8565","0.0002","90","","115.758","0.001","90","","969.89","0.03","296","2","296","2","","","","","","","","7","C 1 m 1","C -2y","8","","","","- C6 H16 F7 N9 O5 Ti Zn3 -","- C6 H16 F7 N9 O5 Ti Zn3 -","- C12 H32 F14 N18 O10 Ti2 Zn6 -","2","0.5","","Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M.","Topotactic desolvation and condensation reactions of 3D Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>·S (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH).","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17758","17771","10.1039/d0dt03391j","","","0.71073","MoKα","","0.0297","0.0295","","","0.0843","0.0849","","","","","","1.122","","","","has coordinates","260763","2021-01-07","06:23:22",""
"7705797","11.2482","0.0007","10.725","0.0007","8.801","0.0005","90","","114.673","0.003","90","","964.8","0.11","355","","355","","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C6 F7 N9 O2 Ti Zn3 -","- C6 F7 N9 O2 Ti Zn3 -","- C12 F14 N18 O4 Ti2 Zn6 -","2","0.5","","Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M.","Topotactic desolvation and condensation reactions of 3D Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>·S (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH).","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17758","17771","10.1039/d0dt03391j","powder diffraction","","1.54175","CuKα","","","","","","","","","10.7546","4.3267","","","","","","","has coordinates","260763","2021-01-07","06:23:24",""
"7705798","11.199","0.0003","10.6391","0.0003","7.3676","0.0002","90","","102.466","0.001","90","","857.13","0.04","296","","296","","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C6 H6 F7 N9 Ti Zn3 -","- C6 H6 F7 N9 Ti Zn3 -","- C12 H12 F14 N18 Ti2 Zn6 -","2","0.5","","Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M.","Topotactic desolvation and condensation reactions of 3D Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>·S (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH).","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17758","17771","10.1039/d0dt03391j","powder diffraction","","1.54175","CuKα","","","","","","","","","2.5793","1.9078","","","","","","","has coordinates","260763","2021-01-07","06:23:25",""
"7705799","17.3542","0.0006","9.9387","0.0004","11.2606","0.0004","90","","90","","90","","1942.21","0.12","296","","296","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H10 F7 N9 O2 Ti Zn3 -","- C6 H10 F7 N9 O2 Ti Zn3 -","- C24 H40 F28 N36 O8 Ti4 Zn12 -","4","0.5","","Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M.","Topotactic desolvation and condensation reactions of 3D Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>·S (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH).","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17758","17771","10.1039/d0dt03391j","powder diffraction","","1.54175","CuKα","","","","","","","","","5.8382","4.4589","","","","","","","has coordinates","260763","2021-01-07","06:23:25",""
"7705800","17.02","0.011","10.292","0.007","11.213","0.007","90","","90","","90","","1964","2","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C8 H16 F7 N9 O3 Ti Zn3 -","- C8 H10 F7 N9 O3 Ti Zn3 -","- C32 H40 F28 N36 O12 Ti4 Zn12 -","4","0.5","","Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M.","Topotactic desolvation and condensation reactions of 3D Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>·S (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH).","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17758","17771","10.1039/d0dt03391j","","","0.71073","MoKα","","0.0643","0.0394","","","0.1016","0.1131","","","","","","1.114","","","","has coordinates","260763","2021-01-07","06:23:25",""
"7705801","17.5556","0.0014","10.091","0.0007","9.9786","0.0007","90","","90","","90","","1767.7","0.2","405","","405","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H6 F7 N9 Ti Zn3 -","- C6 H6 F7 N9 Ti Zn3 -","- C24 H24 F28 N36 Ti4 Zn12 -","4","0.5","","Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M.","Topotactic desolvation and condensation reactions of 3D Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>·S (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH).","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17758","17771","10.1039/d0dt03391j","powder diffraction","","1.54175","CuKα","","","","","","","","","7.9544","1.5958","","","","","","","has coordinates","260763","2021-01-07","06:23:25",""
"7705802","41.4111","0.0011","41.4111","0.0011","41.4111","0.0011","90","","90","","90","","71015","3","123","2","123","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C120 H180 Ag13 Cu10 S12 -","- C120 H180 Ag13 Cu10 S12 -","- C1920 H2880 Ag208 Cu160 S192 -","16","0.0833333","","Bao, Yizheng; Wu, Xiaohang; Gao, Hongjie; Zhou, Manman; Chen, Shuang; Jin, Shan; Yu, Haizhu; Zhu, Manzhou","The geometric and electronic structures of a Ag<sub>13</sub>Cu<sub>10</sub>(SAdm)<sub>12</sub>X<sub>3</sub> nanocluster.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17164","17168","10.1039/d0dt03638b","","","0.71073","MoKα","","0.0475","0.0307","","","0.105","0.1078","","","","","","1.023","","","","has coordinates","260752","2021-01-07","06:18:53",""
"7705803","11.969","0.0009","15.4198","0.001","17.42","0.0014","74.789","0.006","70.647","0.007","76.008","0.006","2884.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H60 Ca3 N8 O20 -","- C96 H60 Ca3 N8 O20 -","- C96 H60 Ca3 N8 O20 -","1","0.5","","Qin, Jian-Hua; Zhang, Hua; Sun, Pengfei; Huang, Ya-Dan; Shen, Qingming; Yang, Xiao-Gang; Ma, Lu-Fang","Ionic liquid induced highly dense assembly of porphyrin in MOF nanosheets for photodynamic therapy.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17772","17778","10.1039/d0dt03031g","","x-ray","0.71073","MoKα","","0.1423","0.0893","","","0.2197","0.2478","","","","","","1.031","","","","has coordinates","260766","2021-01-07","06:23:49",""
"7705804","7.9518","0.001","12.8353","0.0015","12.866","0.0015","100.522","0.001","98.214","0.001","104.071","0.001","1228","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Dy N9 S3 -","- C21 H18 Dy N9 S3 -","- C42 H36 Dy2 N18 S6 -","2","1","","Gil, Yolimar; Fuentealba, Pablo; Vega, Andrés; Spodine, Evgenia; Aravena, Daniel","Control of magnetic anisotropy by macrocyclic ligand distortion in a family of Dy<sup>III</sup> and Er<sup>III</sup> single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17709","17718","10.1039/d0dt03370g","","","0.71073","MoKα","","0.0214","0.0197","","","0.0465","0.0473","","","","","","1.029","","","","has coordinates","260755","2021-01-07","06:19:47",""
"7705805","8.4534","0.0006","12.5863","0.0009","13.169","0.0009","97.086","0.001","105.583","0.001","97.529","0.001","1319.43","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 Er N9 S3 -","- C23 H22 Er N9 S3 -","- C46 H44 Er2 N18 S6 -","2","1","","Gil, Yolimar; Fuentealba, Pablo; Vega, Andrés; Spodine, Evgenia; Aravena, Daniel","Control of magnetic anisotropy by macrocyclic ligand distortion in a family of Dy<sup>III</sup> and Er<sup>III</sup> single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17709","17718","10.1039/d0dt03370g","","","0.71073","MoKα","","0.0218","0.0193","","","0.0416","0.0428","","","","","","1.029","","","","has coordinates","260755","2021-01-07","06:19:47",""
"7705806","8.4497","0.0015","12.612","0.002","13.166","0.002","97.249","0.002","105.438","0.002","97.531","0.002","1321.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 Dy N9 S3 -","- C23 H22 Dy N9 S3 -","- C46 H44 Dy2 N18 S6 -","2","1","","Gil, Yolimar; Fuentealba, Pablo; Vega, Andrés; Spodine, Evgenia; Aravena, Daniel","Control of magnetic anisotropy by macrocyclic ligand distortion in a family of Dy<sup>III</sup> and Er<sup>III</sup> single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17709","17718","10.1039/d0dt03370g","","","0.71073","MoKα","","0.056","0.0406","","","0.077","0.0837","","","","","","0.992","","","","has coordinates","260755","2021-01-07","06:19:47",""
"7705807","22.428","0.004","8.3139","0.0014","18.411","0.003","90","","108.319","0.002","90","","3259","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H39 Dy2 N19 S6 -","- C60 H39 Dy2 N19 S6 -","- C120 H78 Dy4 N38 S12 -","2","0.5","","Gil, Yolimar; Fuentealba, Pablo; Vega, Andrés; Spodine, Evgenia; Aravena, Daniel","Control of magnetic anisotropy by macrocyclic ligand distortion in a family of Dy<sup>III</sup> and Er<sup>III</sup> single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17709","17718","10.1039/d0dt03370g","","","0.71073","MoKα","","0.0617","0.0456","","","0.1074","0.1148","","","","","","1.116","","","","has coordinates","260755","2021-01-07","06:19:47",""
"7705808","8.0032","0.0011","12.8417","0.0017","12.8568","0.0017","99.871","0.001","104.272","0.001","98.376","0.001","1236.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Er N9 S3 -","- C21 H18 Er N9 S3 -","- C42 H36 Er2 N18 S6 -","2","1","","Gil, Yolimar; Fuentealba, Pablo; Vega, Andrés; Spodine, Evgenia; Aravena, Daniel","Control of magnetic anisotropy by macrocyclic ligand distortion in a family of Dy<sup>III</sup> and Er<sup>III</sup> single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17709","17718","10.1039/d0dt03370g","","","0.71073","MoKα","","0.026","0.0232","","","0.0553","0.0568","","","","","","1.047","","","","has coordinates","260755","2021-01-07","06:19:47",""
"7705809","22.426","0.008","8.327","0.003","18.47","0.007","90","","108.591","0.005","90","","3269","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 Er N11 S3 -","- C31 H20 Er N10 S3 -","- C124 H80 Er4 N40 S12 -","4","1","","Gil, Yolimar; Fuentealba, Pablo; Vega, Andrés; Spodine, Evgenia; Aravena, Daniel","Control of magnetic anisotropy by macrocyclic ligand distortion in a family of Dy<sup>III</sup> and Er<sup>III</sup> single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17709","17718","10.1039/d0dt03370g","","","0.71073","MoKα","","0.0964","0.0565","","","0.1155","0.1382","","","","","","1.044","","","","has coordinates","260755","2021-01-07","06:19:47",""
"7705820","12.5724","0.0005","17.8509","0.0008","20.6212","0.001","90","","90","","90","","4628","0.4","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H42 Al2 N4 -","- C20 H42 Al2 N4 -","- C160 H336 Al16 N32 -","8","1","","Sandig-Predzymirska, Lesia; Ortmeyer, Jochen; Wagler, Jörg; Brendler, Erica; Habermann, Franziska; Anders, Martin; Felderhoff, Michael; Mertens, Florian","The direct and reversible hydrogenation of activated aluminium supported by piperidine.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17689","17698","10.1039/d0dt03175e","","","0.71073","MoKα","","0.0681","0.0473","","","0.1129","0.1216","","","","","","1.102","","","","has coordinates,has disorder","260756","2021-01-07","06:19:55",""
"7705821","8.6112","0.0009","8.8513","0.0009","10.9777","0.001","95.138","0.008","90.659","0.008","108.065","0.008","791.6","0.14","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H60 Al2 N6 -","- C30 H60 Al2 N6 -","- C30 H60 Al2 N6 -","1","0.5","","Sandig-Predzymirska, Lesia; Ortmeyer, Jochen; Wagler, Jörg; Brendler, Erica; Habermann, Franziska; Anders, Martin; Felderhoff, Michael; Mertens, Florian","The direct and reversible hydrogenation of activated aluminium supported by piperidine.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17689","17698","10.1039/d0dt03175e","","","0.71073","MoKα","","0.0638","0.0417","","","0.1006","0.1124","","","","","","1.05","","","","has coordinates","260756","2021-01-07","06:19:55",""
"7705822","8.244","0.004","15.11","0.006","9.885","0.004","90","","107.249","0.005","90","","1176","0.9","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H29 Cl Cu Fe N3 -","- C25 H29 Cl Cu Fe N3 -","- C50 H58 Cl2 Cu2 Fe2 N6 -","2","1","","Haraguchi, Ryosuke; Yamazaki, Tatsuro; Torita, Koki; Ito, Tatsuki; Fukuzawa, Shin-Ichi","Planar-chiral ferrocene-based triazolylidene copper complexes: synthesis, characterization, and catalysis in asymmetric borylation of α,β-unsaturated ester.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17578","17583","10.1039/d0dt03213a","","","0.71075","MoKα","","0.0472","0.042","","","0.0982","0.0991","","","","","","1","","","","has coordinates","260764","2021-01-07","06:23:33",""
"7705823","15.573","0.006","10.617","0.004","31.122","0.013","90","","98.741","0.005","90","","5086","3","93","","93","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C25 H29 Cl Cu Fe N3 -","- C25 H29 Cl Cu Fe N3 -","- C200 H232 Cl8 Cu8 Fe8 N24 -","8","2","","Haraguchi, Ryosuke; Yamazaki, Tatsuro; Torita, Koki; Ito, Tatsuki; Fukuzawa, Shin-Ichi","Planar-chiral ferrocene-based triazolylidene copper complexes: synthesis, characterization, and catalysis in asymmetric borylation of α,β-unsaturated ester.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17578","17583","10.1039/d0dt03213a","","","0.71075","MoKα","","0.0845","0.0571","","","0.0894","0.1018","","","","","","1","","","","has coordinates","260764","2021-01-07","06:23:34",""
"7705824","17.4723","0.0006","18.4311","0.0007","20.001","0.0007","113.376","0.003","102.769","0.003","106.168","0.003","5261.8","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C130 H122 B2 Fe N10 -","- C130 H122 B2 Fe N10 -","- C260 H244 B4 Fe2 N20 -","2","1","","Brachňaková, Barbora; Adamko KoŽíšková, Júlia; KoŽíšek, Jozef; Melníková, Eva; Gál, Miroslav; Herchel, Radovan; Dubaj, Tibor; Šalitroš, Ivan","Low-spin and spin-crossover iron(II) complexes with pyridyl-benzimidazole ligands: synthesis, and structural, magnetic and solution study.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17786","17795","10.1039/d0dt03497e","","","1.54186","CuKα","","0.2146","0.0733","","","0.1825","0.2365","","","","","","0.916","","","","has coordinates,has disorder","260753","2021-01-07","06:19:26",""
"7705825","14.4248","0.0004","19.6746","0.0004","28.0978","0.0007","90","","104.386","0.002","90","","7724.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H82 F6 Fe N10 O6 S2 -","- C84 H82 F6 Fe N10 O6 S2 -","- C336 H328 F24 Fe4 N40 O24 S8 -","4","1","","Brachňaková, Barbora; Adamko KoŽíšková, Júlia; KoŽíšek, Jozef; Melníková, Eva; Gál, Miroslav; Herchel, Radovan; Dubaj, Tibor; Šalitroš, Ivan","Low-spin and spin-crossover iron(II) complexes with pyridyl-benzimidazole ligands: synthesis, and structural, magnetic and solution study.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17786","17795","10.1039/d0dt03497e","","","1.54186","CuKα","","0.2914","0.2418","","","0.6194","0.6262","","","","","","2.224","","","","has coordinates","260753","2021-01-07","06:19:26",""
"7705826","14.2071","0.0002","15.9757","0.0002","25.0471","0.0003","85.317","0.001","89.534","0.001","64.224","0.001","5099.79","0.12","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C106 H132 F6 Fe N10 O9 S2 -","- C106 H132 F6 Fe N10 O9 S2 -","- C212 H264 F12 Fe2 N20 O18 S4 -","2","1","","Brachňaková, Barbora; Adamko KoŽíšková, Júlia; KoŽíšek, Jozef; Melníková, Eva; Gál, Miroslav; Herchel, Radovan; Dubaj, Tibor; Šalitroš, Ivan","Low-spin and spin-crossover iron(II) complexes with pyridyl-benzimidazole ligands: synthesis, and structural, magnetic and solution study.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17786","17795","10.1039/d0dt03497e","","","1.54186","CuKα","","0.143","0.1378","","","0.4312","0.4349","","","","","","2.038","","","","has coordinates","260753","2021-01-07","06:19:26",""
"7705827","19.4211","0.0004","28.6434","0.0004","18.6619","0.0004","90","","113.495","0.001","90","","9520.7","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H122 Cl2 Fe N10 O10 -","- C100 H122 Cl2 Fe N10 O10 -","- C400 H488 Cl8 Fe4 N40 O40 -","4","1","","Brachňaková, Barbora; Adamko KoŽíšková, Júlia; KoŽíšek, Jozef; Melníková, Eva; Gál, Miroslav; Herchel, Radovan; Dubaj, Tibor; Šalitroš, Ivan","Low-spin and spin-crossover iron(II) complexes with pyridyl-benzimidazole ligands: synthesis, and structural, magnetic and solution study.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17786","17795","10.1039/d0dt03497e","","","1.54186","CuKα","","0.0969","0.0747","","","0.2226","0.237","","","","","","1.085","","","","has coordinates","260753","2021-01-07","06:19:26",""
"7705828","19.82","0.0004","15.3369","0.0002","24.2864","0.0004","90","","104.072","0.001","90","","7161","0.2","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H69 Cl2 Fe N9 O8 -","- C69 H69 Cl2 Fe N9 O8 -","- C276 H276 Cl8 Fe4 N36 O32 -","4","1","","Brachňaková, Barbora; Adamko KoŽíšková, Júlia; KoŽíšek, Jozef; Melníková, Eva; Gál, Miroslav; Herchel, Radovan; Dubaj, Tibor; Šalitroš, Ivan","Low-spin and spin-crossover iron(II) complexes with pyridyl-benzimidazole ligands: synthesis, and structural, magnetic and solution study.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17786","17795","10.1039/d0dt03497e","","","1.54186","CuKα","","0.1215","0.0793","","","0.2217","0.2539","","","","","","1.047","","","","has coordinates,has disorder","260753","2021-01-07","06:19:26",""
"7705829","21.5941","0.0002","16.9152","0.0002","22.182","0.0002","90","","107.76","0.001","90","","7716.25","0.14","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C85 H88 Cl2 Fe N10 O9 -","- C85 H88 Cl2 Fe N10 O9 -","- C340 H352 Cl8 Fe4 N40 O36 -","4","1","","Brachňaková, Barbora; Adamko KoŽíšková, Júlia; KoŽíšek, Jozef; Melníková, Eva; Gál, Miroslav; Herchel, Radovan; Dubaj, Tibor; Šalitroš, Ivan","Low-spin and spin-crossover iron(II) complexes with pyridyl-benzimidazole ligands: synthesis, and structural, magnetic and solution study.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17786","17795","10.1039/d0dt03497e","","","1.54186","CuKα","","0.0924","0.0709","","","0.2127","0.227","","","","","","1.084","","","","has coordinates","260753","2021-01-07","06:19:26",""
"7705830","14.8365","0.0002","18.3","0.0002","19.4293","0.0003","67.566","0.001","83.778","0.001","72.036","0.001","4638.02","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H114 B2 F8 Fe N10 -","- C98 H114 B2 F8 Fe N10 -","- C196 H228 B4 F16 Fe2 N20 -","2","1","","Brachňaková, Barbora; Adamko KoŽíšková, Júlia; KoŽíšek, Jozef; Melníková, Eva; Gál, Miroslav; Herchel, Radovan; Dubaj, Tibor; Šalitroš, Ivan","Low-spin and spin-crossover iron(II) complexes with pyridyl-benzimidazole ligands: synthesis, and structural, magnetic and solution study.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17786","17795","10.1039/d0dt03497e","","","1.54186","CuKα","","0.1439","0.1318","","","0.3832","0.3986","","","","","","1.789","","","","has coordinates","260753","2021-01-07","06:19:26",""
"7705831","24.133","0.0006","15.2696","0.0003","39.7635","0.0011","90","","104.172","0.002","90","","14206.9","0.6","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H69 B2 F8 Fe N9 -","- C69 H69 B2 F8 Fe N9 -","- C552 H552 B16 F64 Fe8 N72 -","8","2","","Brachňaková, Barbora; Adamko KoŽíšková, Júlia; KoŽíšek, Jozef; Melníková, Eva; Gál, Miroslav; Herchel, Radovan; Dubaj, Tibor; Šalitroš, Ivan","Low-spin and spin-crossover iron(II) complexes with pyridyl-benzimidazole ligands: synthesis, and structural, magnetic and solution study.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17786","17795","10.1039/d0dt03497e","","","1.54186","CuKα","","0.2209","0.1224","","","0.3698","0.4296","","","","","","1.146","","","","has coordinates","260753","2021-01-07","06:19:26",""
"7705833","11.135","0.006","16.187","0.009","14.755","0.008","90","","107.165","0.008","90","","2541","2","100","2","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 Br F Ir N2 O -","- C27 H29 Br F Ir N2 O -","- C108 H116 Br4 F4 Ir4 N8 O4 -","4","1","","Borah, Dhrubajit; Saha, Biswajit; Sarma, Bipul; Das, Pankaj","A cyclometalated Ir(III)-NHC complex as a recyclable catalyst for acceptorless dehydrogenation of alcohols to carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16866","16876","10.1039/d0dt02341h","","","0.71073","MoKα","","0.1497","0.0676","","","0.1571","0.2017","","","","","","0.999","","","","has coordinates","259680","2020-12-09","02:59:09",""
"7705834","6.9778","0.0003","9.7904","0.0004","13.729","0.0005","91.559","0.002","93.484","0.002","110.598","0.002","875.14","0.06","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H34 Al4 F4 N2 O22 P4 -","- C28 H34 Al4 F4 N2 O22 P4 -","- C28 H34 Al4 F4 N2 O22 P4 -","1","0.5","","Liang, Weichi; Wen, Jiali; Zhao, Yukai; Zhang, Meng; Jiang, Jiuxing","The embedding of fluorescent <i>N</i>-methyl-9-acridone into a topological new layered aluminophosphate SYSU-2 by one-pot synthesis.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","17033","17038","10.1039/d0dt03006f","","","0.71073","MoKα","","0.0666","0.0456","","","0.1204","0.1303","","","","","","1.058","","","","has coordinates","259681","2020-12-09","02:59:42",""
"7705835","5.05224","0.00005","13.52734","0.00014","14.42744","0.00014","90","","90","","90","","986.02","0.017","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-methyl-9-acridone","","- C14 H11 N O -","- C14 H11 N O -","- C56 H44 N4 O4 -","4","1","","Liang, Weichi; Wen, Jiali; Zhao, Yukai; Zhang, Meng; Jiang, Jiuxing","The embedding of fluorescent <i>N</i>-methyl-9-acridone into a topological new layered aluminophosphate SYSU-2 by one-pot synthesis.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","17033","17038","10.1039/d0dt03006f","","x-ray","1.54184","CuKα","","0.0294","0.0292","","","0.0828","0.083","","","","","","1.074","","","","has coordinates","259681","2020-12-09","02:59:43",""
"7705836","23.7595","0.0011","14.4168","0.0011","31.0806","0.0018","90","","93.687","0.001","90","","10624.2","1.1","298","2","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H68 Cl4 O2 P6 Ru2 -","- C39 H68 Cl4 O2 P6 Ru2 -","- C312 H544 Cl32 O16 P48 Ru16 -","8","1","","Ou, Ya-Ping; Zhang, Jing; Hu, Yuxuan; Yin, Jun; Chi, Chunyan; Liu, Sheng Hua","Oxidized divinyl oligoacene-bridged diruthenium complexes: bridged localized radical characters and reduced aromaticity in bridge cores.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16877","16886","10.1039/d0dt02883e","","","0.71073","MoKα","","0.0455","0.0366","","","0.1007","0.1051","","","","","","1.051","","","","has coordinates,has disorder","259682","2020-12-09","03:00:56",""
"7705837","12.6187","0.0011","13.0122","0.0012","25.898","0.002","90","","96.021","0.001","90","","4228.9","0.6","200","2","200.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H56 Cl3 O P3 Ru -","- C39 H56 Cl3 O P3 Ru -","- C156 H224 Cl12 O4 P12 Ru4 -","4","1","","Ou, Ya-Ping; Zhang, Jing; Hu, Yuxuan; Yin, Jun; Chi, Chunyan; Liu, Sheng Hua","Oxidized divinyl oligoacene-bridged diruthenium complexes: bridged localized radical characters and reduced aromaticity in bridge cores.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16877","16886","10.1039/d0dt02883e","","","0.71073","MoKα","","0.0528","0.0468","","","0.1367","0.1468","","","","","","1.045","","","","has coordinates","259682","2020-12-09","03:00:57",""
"7705838","12.081","0.004","13.35","0.004","17.656","0.006","90","","94.255","0.005","90","","2839.7","1.6","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H72 Cl6 O2 P6 Ru2 -","- C44 H71 Cl6 O2 P6 Ru2 -","- C88 H142 Cl12 O4 P12 Ru4 -","2","0.5","","Ou, Ya-Ping; Zhang, Jing; Hu, Yuxuan; Yin, Jun; Chi, Chunyan; Liu, Sheng Hua","Oxidized divinyl oligoacene-bridged diruthenium complexes: bridged localized radical characters and reduced aromaticity in bridge cores.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16877","16886","10.1039/d0dt02883e","","","0.71073","MoKα","","0.158","0.1141","","","0.316","0.2402","","","","","","1.388","","","","has coordinates,has disorder","259682","2020-12-09","03:00:57",""
"7705839","24.49","0.004","9.7512","0.0016","19.335","0.003","90","","101.155","0.003","90","","4530.1","1.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H35 F9 La N4 O7 -","- C49 H35 F9 La N4 O7 -","- C196 H140 F36 La4 N16 O28 -","4","1","","Chen, Lu; Tan, Yu; Xu, Han; Wang, Kun; Chen, Zhou-Hui; Zheng, Nuan; Li, Yu-Qian; Lin, Li-Rong","Enhanced <i>E</i>/<i>Z</i>-photoisomerization and luminescence of stilbene derivative co-coordinated in di-β-diketonate lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16745","16761","10.1039/d0dt03383a","","","0.71073","MoKα","","0.1046","0.0503","","","0.1205","0.1338","","","","","","0.841","","","","has coordinates","259683","2020-12-09","03:02:31",""
"7705840","8.3614","0.0001","26.3721","0.0004","18.8632","0.0002","90","","95.477","0.001","90","","4140.49","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H35 F6 N4 O5 Yb -","- C47 H35 F6 N4 O5 Yb -","- C188 H140 F24 N16 O20 Yb4 -","4","1","","Chen, Lu; Tan, Yu; Xu, Han; Wang, Kun; Chen, Zhou-Hui; Zheng, Nuan; Li, Yu-Qian; Lin, Li-Rong","Enhanced <i>E</i>/<i>Z</i>-photoisomerization and luminescence of stilbene derivative co-coordinated in di-β-diketonate lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16745","16761","10.1039/d0dt03383a","","","1.54184","CuKα","","0.0394","0.0325","","","0.0843","0.0902","","","","","","1.087","","","","has coordinates","259683","2020-12-09","03:02:32",""
"7705841","24.5151","0.0006","9.779","0.0003","19.4887","0.0004","90","","101.209","0.002","90","","4583","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H36 F9 Gd N4 O7 -","- C49 H36 F9 Gd N4 O7 -","- C196 H144 F36 Gd4 N16 O28 -","4","1","","Chen, Lu; Tan, Yu; Xu, Han; Wang, Kun; Chen, Zhou-Hui; Zheng, Nuan; Li, Yu-Qian; Lin, Li-Rong","Enhanced <i>E</i>/<i>Z</i>-photoisomerization and luminescence of stilbene derivative co-coordinated in di-β-diketonate lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16745","16761","10.1039/d0dt03383a","","","1.54184","CuKα","","0.1339","0.1011","","","0.2623","0.3024","","","","","","0.984","","","","has coordinates","259683","2020-12-09","03:02:32",""
"7705842","24.6107","0.0004","9.7759","0.0002","19.0276","0.0003","90","","100.458","0.002","90","","4501.84","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H36 F9 N4 Nd O7 -","- C49 H36 F9 N4 Nd O7 -","- C196 H144 F36 N16 Nd4 O28 -","4","1","","Chen, Lu; Tan, Yu; Xu, Han; Wang, Kun; Chen, Zhou-Hui; Zheng, Nuan; Li, Yu-Qian; Lin, Li-Rong","Enhanced <i>E</i>/<i>Z</i>-photoisomerization and luminescence of stilbene derivative co-coordinated in di-β-diketonate lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16745","16761","10.1039/d0dt03383a","","","1.54184","CuKα","","0.0958","0.0789","","","0.2314","0.2544","","","","","","1.093","","","","has coordinates","259683","2020-12-09","03:02:32",""
"7705843","24.426","0.004","9.7184","0.0017","19.499","0.003","90","","101.484","0.003","90","","4536","1.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H36 Eu F9 N4 O7 -","- C49 H36 Eu F9 N4 O7 -","- C196 H144 Eu4 F36 N16 O28 -","4","1","","Chen, Lu; Tan, Yu; Xu, Han; Wang, Kun; Chen, Zhou-Hui; Zheng, Nuan; Li, Yu-Qian; Lin, Li-Rong","Enhanced <i>E</i>/<i>Z</i>-photoisomerization and luminescence of stilbene derivative co-coordinated in di-β-diketonate lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16745","16761","10.1039/d0dt03383a","","","0.71073","MoKα","","0.1513","0.063","","","0.1341","0.1528","","","","","","0.864","","","","has coordinates","259683","2020-12-09","03:02:32",""
"7705844","29.676","0.004","30.709","0.004","29.725","0.004","90","","91.83","0.002","90","","27075","6","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C195.5 H331 Cl7 N24 O78 P2 W22 Y2 -","- C176 H286 N23 O78 P2 W22 Y2 -","- C704 H1144 N92 O312 P8 W88 Y8 -","4","1","","Sarwar, Sidra; Sanz, Sergio; van Leusen, Jan; Nichol, Gary S.; Brechin, Euan K.; Kögerler, Paul","Phthalocyanine-polyoxotungstate lanthanide double deckers.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16638","16642","10.1039/d0dt03716h","","x-ray","0.6889","Synchrotron","","0.1264","0.0869","","","0.2095","0.2344","","","","","","1.028","","","","has coordinates,has disorder","259684","2020-12-09","03:03:50",""
"7705845","22.5917","0.0014","21.7413","0.0012","26.2648","0.0015","90","","95.355","0.001","90","","12844.3","1.3","100.15","","100.15","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C82 H134 Cl12 N12 O39 P Tb W11 -","- C76 H119.5 N12 O39 P Tb W11 -","- C304 H478 N48 O156 P4 Tb4 W44 -","4","0.5","","Sarwar, Sidra; Sanz, Sergio; van Leusen, Jan; Nichol, Gary S.; Brechin, Euan K.; Kögerler, Paul","Phthalocyanine-polyoxotungstate lanthanide double deckers.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16638","16642","10.1039/d0dt03716h","","x-ray","0.6889","Synchrotron","","0.0595","0.0509","","","0.147","0.1507","","","","","","1.11","","","","has coordinates,has disorder","259684","2020-12-09","03:03:50",""
"7705846","9.7754","0.0001","37.378","0.0003","10.9994","0.0001","90","","115.013","0.001","90","","3642.08","0.06","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 Cu I N2 P2 -","- C41 H36 Cu I N2 P2 -","- C164 H144 Cu4 I4 N8 P8 -","4","1","","Kondo, Sae; Yoshimura, Nobutaka; Yoshida, Masaki; Kobayashi, Atsushi; Kato, Masako","Vapochromic luminescence of a spin-coated copper(I) complex thin film by the direct coordination of vapour molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16946","16953","10.1039/d0dt03167d","","x-ray","1.54184","CuKα","","0.0264","0.0256","","","0.0678","0.0683","","","","","","1.046","","","","has coordinates","259685","2020-12-09","03:04:37",""
"7705847","9.8484","0.0002","10.46","0.0002","19.4312","0.0004","82.078","0.001","85.532","0.002","63.583","0.002","1775.26","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H35 Cu I N P2 -","- C41 H35 Cu I N P2 -","- C82 H70 Cu2 I2 N2 P4 -","2","1","","Kondo, Sae; Yoshimura, Nobutaka; Yoshida, Masaki; Kobayashi, Atsushi; Kato, Masako","Vapochromic luminescence of a spin-coated copper(I) complex thin film by the direct coordination of vapour molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16946","16953","10.1039/d0dt03167d","","x-ray","1.54184","CuKα","","0.0312","0.0308","","","0.1286","0.1292","","","","","","1.151","","","","has coordinates","259685","2020-12-09","03:04:43",""
"7705848","37.553","0.002","13.528","0.0002","28.951","0.0017","90","","137.663","0.011","90","","9905","2","118","0.14","118","0.14","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C108 H108 Cl2 Ga2 K2 N22 O12 -","- C108 H108 Cl2 Ga2 K2 N22 O12 -","- C432 H432 Cl8 Ga8 K8 N88 O48 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Shestakov, Alexander F.; Rompanen, Ivan A.; Lyubovskaya, Rimma N.","Reaction of Ga<sup>III</sup>ClPc, Sn<sup>IV</sup>Cl<sub>2</sub>TPP and B<sup>III</sup>ClSubPc with cyanide anions: reduction of macrocycles <i>vs.</i> formation of cyano-containing macrocyclic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16801","16812","10.1039/d0dt03404e","","x-ray","0.71073","MoKα","","0.0552","0.0477","","","0.1259","0.1317","","","","","","1.083","","","","has coordinates,has disorder","259686","2020-12-09","03:05:55",""
"7705849","13.0694","0.0003","23.4397","0.0006","18.9431","0.0004","90","","94.49","0.002","90","","5785.3","0.2","124","7","124","7","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H64 K N9 O6 Sn -","- C65 H64 K N9 O6 Sn -","- C260 H256 K4 N36 O24 Sn4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Shestakov, Alexander F.; Rompanen, Ivan A.; Lyubovskaya, Rimma N.","Reaction of Ga<sup>III</sup>ClPc, Sn<sup>IV</sup>Cl<sub>2</sub>TPP and B<sup>III</sup>ClSubPc with cyanide anions: reduction of macrocycles <i>vs.</i> formation of cyano-containing macrocyclic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16801","16812","10.1039/d0dt03404e","","x-ray","0.71073","MoKα","","0.0522","0.0357","","","0.0687","0.0742","","","","","","1.027","","","","has coordinates,has disorder","259686","2020-12-09","03:05:58",""
"7705850","14.439","0.0002","15.2417","0.0003","25.1736","0.0006","97.018","0.002","91.803","0.002","104.868","0.002","5303.07","0.19","124","7","124","7","","","","","","","","7","P -1","-P 1","2","","","","- C108 H114 B2 Cl6 K2 N22 O12 -","- C102 H110 B2 Cl4 K2 N22 O12 -","- C204 H220 B4 Cl8 K4 N44 O24 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Shestakov, Alexander F.; Rompanen, Ivan A.; Lyubovskaya, Rimma N.","Reaction of Ga<sup>III</sup>ClPc, Sn<sup>IV</sup>Cl<sub>2</sub>TPP and B<sup>III</sup>ClSubPc with cyanide anions: reduction of macrocycles <i>vs.</i> formation of cyano-containing macrocyclic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16801","16812","10.1039/d0dt03404e","","x-ray","0.71073","MoKα","","0.1097","0.0795","","","0.2243","0.2494","","","","","","1.015","","","","has coordinates,has disorder","259686","2020-12-09","03:06:07",""
"7705851","15.3009","0.0004","15.9126","0.0003","16.7557","0.0004","114.303","0.002","91.265","0.0019","97.977","0.0018","3667.92","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C137 H150 B2 F48 N2 P4 Rh2 -","- C137 H150 B2 F48 N2 P4 Rh2 -","- C137 H150 B2 F48 N2 P4 Rh2 -","1","0.5","","Hood, Thomas M.; Chaplin, Adrian B.","Reactions of Rh(PNP) pincer complexes with terminal alkynes: homocoupling through a ring or not at all.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16649","16652","10.1039/d0dt03550e","","x-ray","1.54184","CuKα","","0.0798","0.0613","","","0.1628","0.1781","","","","","","1.037","","","","has coordinates,has disorder","259687","2020-12-09","03:07:54",""
"7705852","18.53479","0.00012","20.42808","0.00012","40.2348","0.0003","90","","90","","90","","15234.1","0.18","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C73 H85 B F24 N P2 Rh -","- C73 H85 B F24 N P2 Rh -","- C584 H680 B8 F192 N8 P16 Rh8 -","8","2","","Hood, Thomas M.; Chaplin, Adrian B.","Reactions of Rh(PNP) pincer complexes with terminal alkynes: homocoupling through a ring or not at all.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16649","16652","10.1039/d0dt03550e","","x-ray","1.54184","CuKα","","0.0743","0.0679","","","0.1778","0.1871","","","","","","1.025","","","","has coordinates,has disorder","259687","2020-12-09","03:07:55",""
"7705853","22.1438","0.0006","13.3315","0.0003","26.4445","0.0008","90","","114.03","0.003","90","","7130.1","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C67 H75 B F24 N P2 Rh -","- C67 H75 B F24 N P2 Rh -","- C268 H300 B4 F96 N4 P8 Rh4 -","4","1","","Hood, Thomas M.; Chaplin, Adrian B.","Reactions of Rh(PNP) pincer complexes with terminal alkynes: homocoupling through a ring or not at all.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16649","16652","10.1039/d0dt03550e","","x-ray","1.54184","CuKα","","0.0983","0.0795","","","0.222","0.2494","","","","","","1.068","","","","has coordinates,has disorder","259687","2020-12-09","03:07:55",""
"7705854","17.9713","0.0004","15.8991","0.0003","25.1382","0.0005","90","","92.814","0.002","90","","7174","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H79 B F24 N P2 Rh -","- C68 H79 B F24 N P2 Rh -","- C272 H316 B4 F96 N4 P8 Rh4 -","4","1","","Hood, Thomas M.; Chaplin, Adrian B.","Reactions of Rh(PNP) pincer complexes with terminal alkynes: homocoupling through a ring or not at all.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16649","16652","10.1039/d0dt03550e","","x-ray","1.54184","CuKα","","0.0844","0.0689","","","0.1888","0.1968","","","","","","1.059","","","","has coordinates,has disorder","259687","2020-12-09","03:07:55",""
"7705855","26.2257","0.0001","18.1905","0.0001","15.8286","0.0001","90","","90","","90","","7551.17","0.07","150","2","150","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C71 H81 B F24 N O2 P2 Rh -","- C71 H81 B F24 N O2 P2 Rh -","- C284 H324 B4 F96 N4 O8 P8 Rh4 -","4","1","","Hood, Thomas M.; Chaplin, Adrian B.","Reactions of Rh(PNP) pincer complexes with terminal alkynes: homocoupling through a ring or not at all.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16649","16652","10.1039/d0dt03550e","","x-ray","1.54184","CuKα","","0.034","0.0323","","","0.0864","0.0881","","","","","","1.023","","","","has coordinates,has disorder","259687","2020-12-09","03:07:55",""
"7705856","23.8941","0.0005","16.1966","0.0004","37.3543","0.0008","90","","112.179","0.003","90","","13386.6","0.6","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C130 H142 B2 F48 N2 P4 Rh2 -","- C130 H142 B2 F48 N2 P4 Rh2 -","- C520 H568 B8 F192 N8 P16 Rh8 -","4","1","","Hood, Thomas M.; Chaplin, Adrian B.","Reactions of Rh(PNP) pincer complexes with terminal alkynes: homocoupling through a ring or not at all.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16649","16652","10.1039/d0dt03550e","","x-ray","1.54184","CuKα","","0.1978","0.1755","","","0.3729","0.3884","","","","","","1.079","","","","has coordinates,has disorder","259687","2020-12-09","03:07:55",""
"7705857","11.4596","0.0009","17.1621","0.0013","13.4942","0.001","90","","112.624","0.002","90","","2449.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-dichlorobicyclo[1.1.0]tetrasilane","","- C32 H80 Cl2 Si12 -","- C32 H80 Cl2 Si12 -","- C64 H160 Cl4 Si24 -","2","0.5","","Nukazawa, Takumi; Iwamoto, Takeaki","Interconversion between a planar 1,3-dichlorobicyclo[1.1.0]tetrasilane and a (chloro)(chlorosilyl)cyclotrisilene.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16728","16735","10.1039/d0dt03408h","","","0.71073","MoKα","","0.0896","0.0661","","","0.1531","0.1657","","","","","","1.079","","","","has coordinates","259688","2020-12-09","03:08:59",""
"7705858","13.5086","0.0003","15.0599","0.0004","16.6833","0.0004","89.364","0.001","85.209","0.001","76.743","0.001","3291.92","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(chloro)(chlorosilyl)cyclotrisilene-DMAP","","- C51 H102 Cl2 N2 Si12 -","- C51 H102 Cl2 N2 Si12 -","- C102 H204 Cl4 N4 Si24 -","2","1","","Nukazawa, Takumi; Iwamoto, Takeaki","Interconversion between a planar 1,3-dichlorobicyclo[1.1.0]tetrasilane and a (chloro)(chlorosilyl)cyclotrisilene.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16728","16735","10.1039/d0dt03408h","","","0.71073","MoKα","","0.0521","0.0356","","","0.0802","0.0887","","","","","","1.015","","","","has coordinates,has disorder","259688","2020-12-09","03:08:59",""
"7705859","15.2371","0.0001","15.2371","0.0001","155.7837","0.0009","90","","90","","120","","31322.6","0.3","173","","173","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C126 H147 N26 Ni9 S90 -","- C126 H147.666 N26 Ni9 S90 -","- C756 H885.995 N156 Ni54 S540 -","6","0.333333","","Li, Simin; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","One-dimensional DABCO hydrogen-bonding chain in a hexagonal channel of magnetic [Ni(dmit)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16772","16777","10.1039/d0dt03386c","","x-ray","1.54184","CuKα","","0.0588","0.0502","","","0.1399","0.1471","","","","","","1.02","","","","has coordinates,has disorder","259689","2020-12-09","03:10:15",""
"7705860","15.1802","0.0002","15.1802","0.0002","155.6425","0.0013","90","","90","","120","","31060.9","0.6","123","","123","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C126 H147 N26 Ni9 S90 -","- C126 H147.666 N26 Ni9 S90 -","- C756 H885.995 N156 Ni54 S540 -","6","0.333333","","Li, Simin; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","One-dimensional DABCO hydrogen-bonding chain in a hexagonal channel of magnetic [Ni(dmit)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16772","16777","10.1039/d0dt03386c","","x-ray","1.54184","CuKα","","0.0603","0.0578","","","0.1636","0.1665","","","","","","1.052","","","","has coordinates,has disorder","259689","2020-12-09","03:10:16",""
"7705861","15.2841","0.0001","15.2841","0.0001","155.7874","0.0009","90","","90","","120","","31516.8","0.3","223","","223","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C126 H147 N26 Ni9 S90 -","- C126 H147.666 N26 Ni9 S90 -","- C756 H885.995 N156 Ni54 S540 -","6","0.333333","","Li, Simin; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","One-dimensional DABCO hydrogen-bonding chain in a hexagonal channel of magnetic [Ni(dmit)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16772","16777","10.1039/d0dt03386c","","x-ray","1.54184","CuKα","","0.0464","0.042","","","0.1227","0.1273","","","","","","1.052","","","","has coordinates,has disorder","259689","2020-12-09","03:10:16",""
"7705862","11.1053","0.0007","13.1355","0.0008","20.3905","0.001","85.224","0.004","86.838","0.004","66.436","0.006","2716.2","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H52 Cl2 N2 P4 Zr -","- C60 H52 Cl2 N2 P4 Zr -","- C120 H104 Cl4 N4 P8 Zr2 -","2","1","","Idelson, Celia; Webster, Leah; Krämer, Tobias; Chadwick, F. Mark","Asymmetric bis-PNP pincer complexes of zirconium and hafnium - a measure of hemilability.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16653","16656","10.1039/d0dt03544k","","","1.5418","CuKα","","0.0562","0.0446","","0.1274","0.1134","0.1274","","","","","","1.617","","","","has coordinates","259690","2020-12-09","03:11:09",""
"7705863","10.70733","0.00003","10.84431","0.00003","14.74442","0.00003","94.396","0.004","105.416","0.004","114.647","0.004","1465.32","0.07","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Li N O P2 -","- C34 H34 Li N O P2 -","- C68 H68 Li2 N2 O2 P4 -","2","1","","Idelson, Celia; Webster, Leah; Krämer, Tobias; Chadwick, F. Mark","Asymmetric bis-PNP pincer complexes of zirconium and hafnium - a measure of hemilability.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16653","16656","10.1039/d0dt03544k","","","1.5418","CuKα","","0.0566","0.0433","","0.1005","0.085","0.1005","","","","","","1.459","","","","has coordinates","259690","2020-12-09","03:11:10",""
"7705864","11.07535","0.00003","13.14605","0.00003","20.39291","0.00004","84.873","0.004","86.804","0.005","66.482","0.005","2710.97","0.1","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H52 Cl2 Hf N2 P4 -","- C60 H52 Cl2 Hf N2 P4 -","- C120 H104 Cl4 Hf2 N4 P8 -","2","1","","Idelson, Celia; Webster, Leah; Krämer, Tobias; Chadwick, F. Mark","Asymmetric bis-PNP pincer complexes of zirconium and hafnium - a measure of hemilability.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16653","16656","10.1039/d0dt03544k","","","1.5418","CuKα","","0.1028","0.0759","","0.2571","0.2129","0.2571","","","","","","1.5867","","","","has coordinates,has disorder","259690","2020-12-09","03:11:10",""
"7705865","10.7947","0.0001","10.7947","0.0001","49.2881","0.0007","90","","90","","90","","5743.32","0.11","103","","103","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C31 H24.5 Br2 Mn N2.5 O4 -","- C31 H24.5 Br2 Mn N2.5 O4 -","- C248 H196 Br16 Mn8 N20 O32 -","8","1","","Huang, Po-Jung; Miyasaka, Hitoshi","Canting angle dependence of single-chain magnet behaviour in chirality-introduced antiferromagnetic chains of acetate-bridged manganese(III) salen-type complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16970","16978","10.1039/d0dt03615c","","x-ray","0.71073","MoKα","","0.067","0.0472","","","0.0794","0.0845","","","","","","1.087","","","","has coordinates","259691","2020-12-09","03:12:12",""
"7705866","10.7928","0.0003","10.7928","0.0003","49.2053","0.0011","90","","90","","90","","5731.7","0.3","103","","103","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C31 H24.5 Br2 Mn N2.5 O4 -","- C31 H24.5 Br2 Mn N2.5 O4 -","- C248 H196 Br16 Mn8 N20 O32 -","8","1","","Huang, Po-Jung; Miyasaka, Hitoshi","Canting angle dependence of single-chain magnet behaviour in chirality-introduced antiferromagnetic chains of acetate-bridged manganese(III) salen-type complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16970","16978","10.1039/d0dt03615c","","x-ray","0.71073","MoKα","","0.1819","0.0749","","","0.1182","0.1451","","","","","","1.005","","","","has coordinates","259691","2020-12-09","03:12:13",""
"7705867","6.542","0.0002","17.0906","0.0004","11.7543","0.0003","90","","103.659","0.003","90","","1277.04","0.06","103","","103","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H23 F2 Mn N2 O4.5 -","- C30 H23 F2 Mn N2 O4.5 -","- C60 H46 F4 Mn2 N4 O9 -","2","1","","Huang, Po-Jung; Miyasaka, Hitoshi","Canting angle dependence of single-chain magnet behaviour in chirality-introduced antiferromagnetic chains of acetate-bridged manganese(III) salen-type complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16970","16978","10.1039/d0dt03615c","","x-ray","0.71073","MoKα","","0.0311","0.0298","","","0.0716","0.0723","","","","","","1.054","","","","has coordinates","259691","2020-12-09","03:12:13",""
"7705868","6.5321","0.0004","17.0704","0.0007","11.7309","0.0008","90","","103.224","0.006","90","","1273.37","0.13","103","","103","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H23 F2 Mn N2 O4.5 -","- C30 H23 F2 Mn N2 O4.5 -","- C60 H46 F4 Mn2 N4 O9 -","2","1","","Huang, Po-Jung; Miyasaka, Hitoshi","Canting angle dependence of single-chain magnet behaviour in chirality-introduced antiferromagnetic chains of acetate-bridged manganese(III) salen-type complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16970","16978","10.1039/d0dt03615c","","x-ray","0.71073","MoKα","","0.0889","0.0535","","","0.0901","0.1008","","","","","","0.999","","","","has coordinates","259691","2020-12-09","03:12:13",""
"7705869","6.5703","0.0002","17.9817","0.0004","45.3393","0.0013","90","","90","","90","","5356.6","0.3","103","","103","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H46 Cl4 Mn2 N4 O8.7 -","- C60 H46 Cl4 Mn2 N4 O8.7 -","- C240 H184 Cl16 Mn8 N16 O34.8 -","4","1","","Huang, Po-Jung; Miyasaka, Hitoshi","Canting angle dependence of single-chain magnet behaviour in chirality-introduced antiferromagnetic chains of acetate-bridged manganese(III) salen-type complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16970","16978","10.1039/d0dt03615c","","x-ray","0.71073","MoKα","","0.1266","0.0696","","","0.1095","0.1271","","","","","","0.999","","","","has coordinates","259691","2020-12-09","03:12:13",""
"7705870","6.5753","0.0001","17.9896","0.0004","45.3418","0.0007","90","","90","","90","","5363.35","0.17","103","","103","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H46 Cl4 Mn2 N4 O8.7 -","- C60 H46 Cl4 Mn2 N4 O8.7 -","- C240 H184 Cl16 Mn8 N16 O34.8 -","4","1","","Huang, Po-Jung; Miyasaka, Hitoshi","Canting angle dependence of single-chain magnet behaviour in chirality-introduced antiferromagnetic chains of acetate-bridged manganese(III) salen-type complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16970","16978","10.1039/d0dt03615c","","x-ray","0.71073","MoKα","","0.0514","0.0391","","","0.0794","0.0838","","","","","","1.047","","","","has coordinates","259691","2020-12-09","03:12:13",""
"7705871","11.226","0.002","6.4276","0.0013","11.494","0.002","90","","99.141","0.006","90","","818.8","0.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H18 O3 Si2 -","- C14 H18 O3 Si2 -","- C28 H36 O6 Si4 -","2","1","","Shankar, Ravi; Mahavar, Nidhi","A catalytic study of water dispersed gold nanoparticles for the hydrolytic oxidation of diorganosilanes - <i>en route</i> formation of a Pickering catalyst and synthesis of tetraorganodisiloxane-1,3-diols.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16633","16637","10.1039/d0dt03252b","","","0.71073","MoKα","","0.0877","0.0582","","","0.1363","0.1546","","","","","","1.201","","","","has coordinates,has disorder","259692","2020-12-09","03:13:41",""
"7705872","12.8568","0.0007","6.6114","0.0003","21.776","0.0011","90","","102.749","0.002","90","","1805.36","0.16","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H30 O3 Si2 -","- C14 H30 O3 Si2 -","- C56 H120 O12 Si8 -","4","1","","Shankar, Ravi; Mahavar, Nidhi","A catalytic study of water dispersed gold nanoparticles for the hydrolytic oxidation of diorganosilanes - <i>en route</i> formation of a Pickering catalyst and synthesis of tetraorganodisiloxane-1,3-diols.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16633","16637","10.1039/d0dt03252b","","","0.71073","MoKα","","0.0685","0.0479","","","0.1213","0.1388","","","","","","1.08","","","","has coordinates,has disorder","259692","2020-12-09","03:13:42",""
"7705873","13.4751","0.0008","14.2528","0.0009","20.2962","0.0014","98.906","0.002","99.541","0.002","113.364","0.002","3422.6","0.4","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 O3 Si2 -","- C24 H22 O3 Si2 -","- C144 H132 O18 Si12 -","6","3","","Shankar, Ravi; Mahavar, Nidhi","A catalytic study of water dispersed gold nanoparticles for the hydrolytic oxidation of diorganosilanes - <i>en route</i> formation of a Pickering catalyst and synthesis of tetraorganodisiloxane-1,3-diols.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16633","16637","10.1039/d0dt03252b","","","0.71073","MoKα","","0.0687","0.0479","","","0.1257","0.1452","","","","","","1.043","","","","has coordinates,has disorder","259692","2020-12-09","03:13:42",""
"7705874","7.7465","0.0006","13.5915","0.0009","16.9107","0.0011","90","","90","","90","","1780.5","0.2","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H16 Cl4 N2 Pb -","- C6 H16 Cl4 N2 Pb -","- C24 H64 Cl16 N8 Pb4 -","4","1","","Yu, Shan-Shan; Zhao, Hai-Rong; Zhang, Hui; Duan, Hai-Bao","Two chiral haloplumbate hybrids with thermochromism luminescence and application potential as luminescent thermometers.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16643","16648","10.1039/d0dt02261f","","x-ray","0.71073","MoKα","","0.0679","0.0641","","","0.1431","0.1477","","","","","","1.11","","","","has coordinates","259693","2020-12-09","03:14:27",""
"7705875","11.8","0.0005","11.7153","0.0005","9.952","0.0005","90","","90","","90","","1375.77","0.11","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C6 H16 Br4 N2 Pb -","- C6 H16 Br4 N2 Pb -","- C24 H64 Br16 N8 Pb4 -","4","1","","Yu, Shan-Shan; Zhao, Hai-Rong; Zhang, Hui; Duan, Hai-Bao","Two chiral haloplumbate hybrids with thermochromism luminescence and application potential as luminescent thermometers.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16643","16648","10.1039/d0dt02261f","","x-ray","0.71073","MoKα","","0.0446","0.042","","","0.1062","0.1079","","","","","","1.131","","","","has coordinates","259693","2020-12-09","03:14:27",""
"7705876","11.3865","0.0004","14.9295","0.0005","18.3394","0.0006","77.595","0.001","84.106","0.001","77.856","0.001","2971.28","0.17","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H44 Cl2 F6 N7 O8 P Ru -","- C50 H44 Cl2 F6 N7 O8 P Ru -","- C100 H88 Cl4 F12 N14 O16 P2 Ru2 -","2","1","","Lavrova, Maria A.; Mishurinskiy, Sergey A.; Smirnov, Daniil E.; Kalle, Paulina; Krivogina, Ekaterina V.; Kozyukhin, Sergey A.; Emets, Viktor V.; Mariasina, Sofia S.; Dolzhenko, Vladimir D.; Bezzubov, Stanislav I.","Cyclometalated Ru(II) complexes with tunable redox and optical properties for dye-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16935","16945","10.1039/d0dt03564e","","x-ray","0.71073","MoKα","","0.0812","0.0613","","","0.1412","0.151","","","","","","1.029","","","","has coordinates","259694","2020-12-09","03:15:24",""
"7705877","16.43","0.0007","17.9246","0.0009","19.3808","0.0007","83.218","0.002","85.892","0.002","79.659","0.002","5568.2","0.4","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C51 H42 Cl9 F6 N6 O4 P Ru -","- C51 H42 Cl9 F6 N6 O4 P Ru -","- C204 H168 Cl36 F24 N24 O16 P4 Ru4 -","4","2","","Lavrova, Maria A.; Mishurinskiy, Sergey A.; Smirnov, Daniil E.; Kalle, Paulina; Krivogina, Ekaterina V.; Kozyukhin, Sergey A.; Emets, Viktor V.; Mariasina, Sofia S.; Dolzhenko, Vladimir D.; Bezzubov, Stanislav I.","Cyclometalated Ru(II) complexes with tunable redox and optical properties for dye-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16935","16945","10.1039/d0dt03564e","","","0.71073","MoKα","","0.1621","0.0841","","","0.1862","0.2179","","","","","","0.983","","","","has coordinates,has disorder","259694","2020-12-09","03:15:24",""
"7705878","53.215","0.003","12.7933","0.0006","21.3714","0.0009","90","","102.394","0.0015","90","","14210.5","1.2","150","","150","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C71.5 H57.5 Cl2 F9 N9 O12 P1.5 Ru1.5 -","- C71.5 H57.5 Cl2 F9 N9 O12 P1.5 Ru1.5 -","- C572 H460 Cl16 F72 N72 O96 P12 Ru12 -","8","1","","Lavrova, Maria A.; Mishurinskiy, Sergey A.; Smirnov, Daniil E.; Kalle, Paulina; Krivogina, Ekaterina V.; Kozyukhin, Sergey A.; Emets, Viktor V.; Mariasina, Sofia S.; Dolzhenko, Vladimir D.; Bezzubov, Stanislav I.","Cyclometalated Ru(II) complexes with tunable redox and optical properties for dye-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16935","16945","10.1039/d0dt03564e","","x-ray","0.71073","MoKα","","0.0811","0.0735","","","0.1573","0.161","","","","","","1.19","","","","has coordinates,has disorder","259694","2020-12-09","03:15:24",""
"7705879","14.832","0.0003","16.1866","0.0003","16.9537","0.0004","93.051","0.002","104.841","0.002","103.502","0.002","3797.95","0.15","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C130 H134 Co6 N58 O30 S8 -","- C130 H134 Co6 N58 O30 S8 -","- C130 H134 Co6 N58 O30 S8 -","1","0.5","","Yang, Meng; Ouyang, Zhi-Jian; Zhong, Yun-Jing; Cai, Jia-Wei; Li, Xiao-Hui; Dong, Wen","Field-induced slow magnetic relaxation from linear trinuclear Co<sup>III</sup>-Co<sup>II</sup>-Co<sup>III</sup> to grid [2 ×2] tetranuclear mixed-valence cobalt complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","17017","17025","10.1039/d0dt02863k","","x-ray","1.54184","CuKα","","0.0942","0.0856","","","0.2157","0.2226","","","","","","1.031","","","","has coordinates,has disorder","259695","2020-12-09","03:16:28",""
"7705880","12.4689","0.0001","14.2132","0.0001","19.8528","0.0002","90","","95.618","0.001","90","","3501.47","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H74 Co3 N28 O19 -","- C60 H74 Co3 N28 O19 -","- C120 H148 Co6 N56 O38 -","2","0.5","","Yang, Meng; Ouyang, Zhi-Jian; Zhong, Yun-Jing; Cai, Jia-Wei; Li, Xiao-Hui; Dong, Wen","Field-induced slow magnetic relaxation from linear trinuclear Co<sup>III</sup>-Co<sup>II</sup>-Co<sup>III</sup> to grid [2 ×2] tetranuclear mixed-valence cobalt complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","17017","17025","10.1039/d0dt02863k","","x-ray","1.54184","CuKα","","0.0482","0.0446","","","0.1206","0.123","","","","","","1.041","","","","has coordinates,has disorder","259695","2020-12-09","03:16:31",""
"7705881","15.3105","0.0003","15.6182","0.0003","16.7603","0.0004","91.46","0.002","105.601","0.002","101.919","0.002","3762.9","0.15","100","0.4","100","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C134 H138 Co6 N66 O32 -","- C134 H138 Co6 N66 O32 -","- C134 H138 Co6 N66 O32 -","1","0.5","","Yang, Meng; Ouyang, Zhi-Jian; Zhong, Yun-Jing; Cai, Jia-Wei; Li, Xiao-Hui; Dong, Wen","Field-induced slow magnetic relaxation from linear trinuclear Co<sup>III</sup>-Co<sup>II</sup>-Co<sup>III</sup> to grid [2 ×2] tetranuclear mixed-valence cobalt complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","17017","17025","10.1039/d0dt02863k","","x-ray","0.71073","MoKα","","0.0698","0.0437","","","0.102","0.1117","","","","","","1.036","","","","has coordinates,has disorder","259695","2020-12-09","03:16:41",""
"7705882","9.3778","0.0009","12.6936","0.0011","13.7782","0.0013","89.076","0.004","83.116","0.004","81.505","0.004","1610.4","0.3","120","2","120","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H60 Co3 N28 O16 -","- C56 H60 Co3 N28 O16 -","- C56 H60 Co3 N28 O16 -","1","0.5","","Yang, Meng; Ouyang, Zhi-Jian; Zhong, Yun-Jing; Cai, Jia-Wei; Li, Xiao-Hui; Dong, Wen","Field-induced slow magnetic relaxation from linear trinuclear Co<sup>III</sup>-Co<sup>II</sup>-Co<sup>III</sup> to grid [2 ×2] tetranuclear mixed-valence cobalt complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","17017","17025","10.1039/d0dt02863k","","","0.71073","MoKα","","0.0447","0.0347","","","0.0817","0.0857","","","","","","1.054","","","","has coordinates","259695","2020-12-09","03:16:50",""
"7705886","9.6188","0.0011","11.9263","0.0014","12.2365","0.0013","77.662","0.004","71.146","0.005","69.041","0.004","1232.9","0.2","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 Br2 N5 Pd -","- C25 H21 Br2 N5 Pd -","- C50 H42 Br4 N10 Pd2 -","2","1","","Sevim, Mehmet; Kavukcu, Serdar Batıkan; Kınal, Armağan; Şahin, Onur; Türkmen, Hayati","C-C coupling formation using nitron complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16903","16915","10.1039/d0dt02937h","","","0.71073","MoKα","","0.0947","0.0856","","","0.1916","0.196","","","","","","1.23","","","","has coordinates","259697","2020-12-09","03:19:07",""
"7705887","9.6026","0.0009","12.302","0.0013","13.6024","0.0015","100.477","0.005","109.614","0.004","110.59","0.005","1332.5","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H29 Cl N4 Ru -","- C30 H29 Cl N4 Ru -","- C60 H58 Cl2 N8 Ru2 -","2","1","","Sevim, Mehmet; Kavukcu, Serdar Batıkan; Kınal, Armağan; Şahin, Onur; Türkmen, Hayati","C-C coupling formation using nitron complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16903","16915","10.1039/d0dt02937h","","","0.71073","MoKα","","0.101","0.0782","","","0.1674","0.1764","","","","","","1.107","","","","has coordinates","259697","2020-12-09","03:19:08",""
"7705888","9.9976","0.0009","11.8767","0.0012","13.6237","0.0014","98.645","0.004","96.039","0.005","110.163","0.004","1479.6","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Cl3 Ir N4 -","- C30 H32 Cl3 Ir N4 -","- C60 H64 Cl6 Ir2 N8 -","2","1","","Sevim, Mehmet; Kavukcu, Serdar Batıkan; Kınal, Armağan; Şahin, Onur; Türkmen, Hayati","C-C coupling formation using nitron complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16903","16915","10.1039/d0dt02937h","","","0.71073","MoKα","","0.076","0.0576","","","0.1","0.1045","","","","","","1.188","","","","has coordinates","259697","2020-12-09","03:19:08",""
"7705889","13.6235","0.001","15.9331","0.0013","21.356","0.0018","69.077","0.003","83.636","0.004","88.592","0.003","4302.7","0.6","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C30.33333 H30.66667 Cl1.66667 N4 Rh -","- C30.3333 H30.6667 Cl1.66667 N4 Rh -","- C182 H184 Cl10 N24 Rh6 -","6","3","","Sevim, Mehmet; Kavukcu, Serdar Batıkan; Kınal, Armağan; Şahin, Onur; Türkmen, Hayati","C-C coupling formation using nitron complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16903","16915","10.1039/d0dt02937h","","","0.71073","MoKα","","0.1555","0.1","","","0.2201","0.2431","","","","","","1.127","","","","has coordinates","295359","2024-10-08","18:26:32",""
"7705890","13.7","0.003","15.904","0.004","21.409","0.006","69.083","0.012","83.451","0.012","88.89","0.013","4327.7","1.9","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Cl Ir N4 -","- C30 H30 Cl Ir N4 -","- C180 H180 Cl6 Ir6 N24 -","6","3","","Sevim, Mehmet; Kavukcu, Serdar Batıkan; Kınal, Armağan; Şahin, Onur; Türkmen, Hayati","C-C coupling formation using nitron complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16903","16915","10.1039/d0dt02937h","","","0.71073","MoKα","","0.1063","0.0755","","","0.1519","0.1633","","","","","","1.134","","","","has coordinates","259697","2020-12-09","03:19:08",""
"7705891","18.2445","0.0006","19.9956","0.0007","24.4742","0.0006","93.078","0.002","99.426","0.002","116.645","0.003","7790.2","0.5","186","2","186","2","","","","","","","","7","P -1","-P 1","2","","","","- Dy3 K5 Na5.34 Ni O139.78 Sb3 W30 -","- Dy3 K5 Na5.3333 Ni O139.773 Sb3 W30 -","- Dy6 K10 Na10.6666 Ni2 O279.547 Sb6 W60 -","2","1","","Cai, Jing; Ye, Run; Liu, Xinhao; Guo, Leilei; Qiao, Xinrong","Ionic strength effect on regulating the synthetic assembly of polyoxometalate clusters with slow magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16954","16961","10.1039/d0dt02409k","","","0.71073","MoKα","","0.1293","0.0832","","","0.1928","0.2263","","","","","","1.002","","","","has coordinates","259698","2020-12-09","03:20:42",""
"7705892","17.8033","0.0014","18.5672","0.0016","14.166","0.0012","90","","113.239","0.009","90","","4302.8","0.7","178.3","0.6","178.3","0.6","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ni0.21 O9.26 Sb0.21 W2.11 -","- Ni0.210526 O9.26316 Sb0.210526 W2.10526 -","- Ni4 O176 Sb4 W40 -","19","2.375","","Cai, Jing; Ye, Run; Liu, Xinhao; Guo, Leilei; Qiao, Xinrong","Ionic strength effect on regulating the synthetic assembly of polyoxometalate clusters with slow magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16954","16961","10.1039/d0dt02409k","","","0.71073","MoKα","","0.0814","0.0678","","","0.1689","0.1788","","","","","","1.088","","","","has coordinates","259698","2020-12-09","03:20:42",""
"7705893","35.159","0.003","18.5597","0.0007","48.357","0.003","90","","114.193","0.009","90","","28783","4","191","2","191","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Dy3 K4 Na4.75 O138.33 Sb3 W31 -","- Dy3 K4 Na4.75 O138.333 Sb4 W30 -","- Dy24 K32 Na38 O1106.67 Sb32 W240 -","8","1","","Cai, Jing; Ye, Run; Liu, Xinhao; Guo, Leilei; Qiao, Xinrong","Ionic strength effect on regulating the synthetic assembly of polyoxometalate clusters with slow magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16954","16961","10.1039/d0dt02409k","","","0.71073","MoKα","","0.1583","0.1059","","","0.2022","0.2298","","","","","","1.086","","","","has coordinates","259698","2020-12-09","03:20:42",""
"7705894","6.9554","0.0002","22.6284","0.0006","13.8537","0.0003","90","","91.584","0.002","90","","2179.59","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 N6 O12 Pb -","- C12 H24 N6 O12 Pb -","- C48 H96 N24 O48 Pb4 -","4","1","","Jiang, Jia-Ying; Xu, Qi; Ma, Jia-Jun; Gong, Zhi-Xin; Shi, Chao; Zhang, Yi","Above room-temperature dielectric switching and semiconducting properties of a layered organic-inorganic hybrid compound: (C<sub>6</sub>H<sub>12</sub>N)<sub>2</sub>Pb(NO<sub>3</sub>)<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16860","16865","10.1039/d0dt03206a","","","0.71073","MoKα","","0.0465","0.0297","","","0.0563","0.0597","","","","","","1.005","","","","has coordinates","259699","2020-12-09","03:21:28",""
"7705895","6.8961","0.0009","6.8961","0.0009","23.195","0.01","90","","90","","90","","1103.1","0.5","373","2","373","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C12 H24 N6 O12 Pb -","- C12 H24 N6 O12 Pb -","- C24 H48 N12 O24 Pb2 -","2","0.0625","","Jiang, Jia-Ying; Xu, Qi; Ma, Jia-Jun; Gong, Zhi-Xin; Shi, Chao; Zhang, Yi","Above room-temperature dielectric switching and semiconducting properties of a layered organic-inorganic hybrid compound: (C<sub>6</sub>H<sub>12</sub>N)<sub>2</sub>Pb(NO<sub>3</sub>)<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16860","16865","10.1039/d0dt03206a","","","0.71073","MoKα","","0.0623","0.0516","","","0.1092","0.1132","","","","","","1.259","","","","has coordinates,has disorder","259699","2020-12-09","03:21:29",""
"7705896","10.8887","0.0008","11.0302","0.0008","16.9783","0.0013","82.785","0.003","80.434","0.003","66.001","0.002","1833.2","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H38 Co2 N4 O9 S2 -","- C31 H38 Co2 N4 O9 S2 -","- C62 H76 Co4 N8 O18 S4 -","2","1","","Banerjee, Abhisek; Banerjee, Snehasis; Gómez García, Carlos J; Benmansour, Samia; Chattopadhyay, Shouvik","Field-induced single molecule magnet behavior of a dinuclear cobalt(II) complex: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16778","16790","10.1039/d0dt02158j","","","0.71073","MoKα","","0.0672","0.0453","","","0.131","0.1577","","","","","","1.12","","","","has coordinates,has disorder","259700","2020-12-09","03:22:10",""
"7705897","11.223","0.011","20.076","0.019","17.196","0.017","90","","102.05","0.03","90","","3789","6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 Co2 N4 O9 S2 -","- C33 H42 Co2 N4 O9 S2 -","- C132 H168 Co8 N16 O36 S8 -","4","1","","Banerjee, Abhisek; Banerjee, Snehasis; Gómez García, Carlos J; Benmansour, Samia; Chattopadhyay, Shouvik","Field-induced single molecule magnet behavior of a dinuclear cobalt(II) complex: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16778","16790","10.1039/d0dt02158j","","","0.71073","MoKα","","0.1129","0.0895","","","0.2464","0.2752","","","","","","1.023","","","","has coordinates","259700","2020-12-09","03:22:12",""
"7705898","5.3811","0.0002","16.1944","0.0006","8.2691","0.0004","90","","98.5","0.002","90","","712.68","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 N4 -","- C7 H8 N4 -","- C28 H32 N16 -","4","1","","Das, Krishna Sundar; Pal, Baishakhi; Saha, Sayan; Akhtar, Sohel; De, Avik; Ray, Partha Pratim; Mondal, Raju","Utilization of counter anions for charge transportation in the electrical device fabrication of Zn(II) metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","17005","17016","10.1039/d0dt02589e","","","0.71073","MoKα","","0.0502","0.0463","","","0.1237","0.1262","","","","","","1.08","","","","has coordinates","259702","2020-12-09","03:23:11",""
"7705899","16.1359","0.0006","9.8928","0.0003","17.8077","0.0006","90","","111.927","0.001","90","","2636.99","0.16","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 B2 F8 N12 Zn -","- C21 H24 B2 F8 N12 Zn -","- C84 H96 B8 F32 N48 Zn4 -","4","0.5","","Das, Krishna Sundar; Pal, Baishakhi; Saha, Sayan; Akhtar, Sohel; De, Avik; Ray, Partha Pratim; Mondal, Raju","Utilization of counter anions for charge transportation in the electrical device fabrication of Zn(II) metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","17005","17016","10.1039/d0dt02589e","","","0.71073","MoKα","","0.0775","0.0467","","","0.0959","0.1047","","","","","","1.069","","","","has coordinates","259702","2020-12-09","03:23:11",""
"7705900","20.872","0.0005","14.6735","0.0003","17.4832","0.0004","90","","114.272","0.001","90","","4881.18","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H104 N32 O44 S6 Zn6 -","- C56 H104 N32 O44 S6 Zn6 -","- C112 H208 N64 O88 S12 Zn12 -","2","0.5","","Das, Krishna Sundar; Pal, Baishakhi; Saha, Sayan; Akhtar, Sohel; De, Avik; Ray, Partha Pratim; Mondal, Raju","Utilization of counter anions for charge transportation in the electrical device fabrication of Zn(II) metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","17005","17016","10.1039/d0dt02589e","","","0.71073","MoKα","","0.0928","0.052","","","0.1278","0.1563","","","","","","1.051","","","","has coordinates,has disorder","259702","2020-12-09","03:23:11",""
"7705901","7.8409","0.0004","12.863","0.0006","20.4373","0.001","88.1321","0.0011","89.0043","0.0011","79.0659","0.001","2022.63","0.17","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 Cl2 Co N4 O8 -","- C48 H32 Cl2 Co N4 O8 -","- C96 H64 Cl4 Co2 N8 O16 -","2","1","","Wu, Chen-Ming; Tsai, Jae-En; Lee, Gene-Hsiang; Yang, En-Che","Slow magnetization relaxation in a tetrahedrally coordinated mononuclear Co(II) complex exclusively ligated with phenanthroline ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16813","16820","10.1039/d0dt03481a","","","0.71073","MoKα","","0.0595","0.048","","","0.1153","0.1225","","","","","","1.042","","","","has coordinates","259703","2020-12-09","03:23:44",""
"7705904","15.619","0.011","15.619","0.011","18.827","0.013","90","","90","","90","","4593","6","130","","130","","","","","","","","","5","I 4/m","-I 4","87","","","","- C78 H100 Ca4 N14 O27 -","- C78 H100 Ca4 N14 O27 -","- C156 H200 Ca8 N28 O54 -","2","0.125","","Diamantis, Stavros A.; Hatzidimitriou, Antonios; Plessas, Alexios K.; Pournara, Anastasia; Manos, Manolis J.; Papaefstathiou, Giannis S.; Lazarides, Theodore","Alkaline earth-organic frameworks with amino derivatives of 2,6-naphthalene dicarboxylates: structural studies and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16736","16744","10.1039/d0dt03325a","","","0.71073","MoKα","","0.0861","0.0658","","0.1075","0.1048","0.1048","","","","","","0.9999","","","","has coordinates,has disorder","259705","2020-12-09","03:27:32",""
"7705905","16.8066","0.0005","16.8066","0.0005","17.7945","0.0007","90","","90","","90","","5026.3","0.3","120","","120","","","","","","","","","6","I 4/m","-I 4","87","","","","- C168 H231.99 Cl6 N40 O56 Sr11 -","- C168 H232 Cl6 N40 O56 Sr11 -","- C168 H232 Cl6 N40 O56 Sr11 -","1","0.0625","","Diamantis, Stavros A.; Hatzidimitriou, Antonios; Plessas, Alexios K.; Pournara, Anastasia; Manos, Manolis J.; Papaefstathiou, Giannis S.; Lazarides, Theodore","Alkaline earth-organic frameworks with amino derivatives of 2,6-naphthalene dicarboxylates: structural studies and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16736","16744","10.1039/d0dt03325a","","","0.71073","MoKα","","0.0416","0.0416","","0.0683","0.0683","0.0683","","","","","","0.9999","","","","has coordinates","259705","2020-12-09","03:27:33",""
"7705906","16.617","0.002","16.617","0.002","17.448","0.003","90","","90","","90","","4817.8","1.2","130","","130","","","","","","","","","5","I 4/m","-I 4","87","","","","- C63 H79 Ca4 N13 O27 -","- C63 H79 Ca4 N13 O27 -","- C126 H158 Ca8 N26 O54 -","2","0.125","","Diamantis, Stavros A.; Hatzidimitriou, Antonios; Plessas, Alexios K.; Pournara, Anastasia; Manos, Manolis J.; Papaefstathiou, Giannis S.; Lazarides, Theodore","Alkaline earth-organic frameworks with amino derivatives of 2,6-naphthalene dicarboxylates: structural studies and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16736","16744","10.1039/d0dt03325a","","","0.71073","MoKα","","0.0707","0.0533","","0.1101","0.1092","0.1092","","","","","","1","","","","has coordinates","259705","2020-12-09","03:27:33",""
"7705907","22.746","0.008","8.433","0.003","22.517","0.008","90","","118.288","0.005","90","","3803","2","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Ba2 N6 O12 -","- C36 H42 Ba2 N6 O12 -","- C144 H168 Ba8 N24 O48 -","4","1","","Diamantis, Stavros A.; Hatzidimitriou, Antonios; Plessas, Alexios K.; Pournara, Anastasia; Manos, Manolis J.; Papaefstathiou, Giannis S.; Lazarides, Theodore","Alkaline earth-organic frameworks with amino derivatives of 2,6-naphthalene dicarboxylates: structural studies and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16736","16744","10.1039/d0dt03325a","","","0.71073","MoKα","","0.0685","0.0638","","0.1076","0.1075","0.1075","","","","","","1","","","","has coordinates","259705","2020-12-09","03:27:33",""
"7705908","13.028","0.01","18.865","0.014","13.91","0.01","90","","93.925","0.017","90","","3411","4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C120 H130 Mg8 N24 O45 -","- C120 H130 Mg8 N24 O45 -","- C120 H130 Mg8 N24 O45 -","1","0.25","","Diamantis, Stavros A.; Hatzidimitriou, Antonios; Plessas, Alexios K.; Pournara, Anastasia; Manos, Manolis J.; Papaefstathiou, Giannis S.; Lazarides, Theodore","Alkaline earth-organic frameworks with amino derivatives of 2,6-naphthalene dicarboxylates: structural studies and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16736","16744","10.1039/d0dt03325a","","","0.71073","MoKα","","0.101","0.0566","","0.0814","0.0716","0.0716","","","","","","1","","","","has coordinates,has disorder","259705","2020-12-09","03:27:33",""
"7705909","21.096","0.005","12.176","0.003","14.196","0.003","90","","95.269","0.006","90","","3631","1.5","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 N5 O12 Sr2 -","- C33 H37 N5 O12 Sr2 -","- C132 H148 N20 O48 Sr8 -","4","1","","Diamantis, Stavros A.; Hatzidimitriou, Antonios; Plessas, Alexios K.; Pournara, Anastasia; Manos, Manolis J.; Papaefstathiou, Giannis S.; Lazarides, Theodore","Alkaline earth-organic frameworks with amino derivatives of 2,6-naphthalene dicarboxylates: structural studies and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16736","16744","10.1039/d0dt03325a","","","0.71073","MoKα","","0.088","0.0564","","0.0931","0.0873","0.0873","","","","","","1","","","","has coordinates,has disorder","259705","2020-12-09","03:27:33",""
"7705910","42.0581","0.0014","42.0581","0.0014","42.0581","0.0014","90","","90","","90","","74396","4","130","","130","","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C528 H540 N128 O183 Sr24 -","- C527.995 H540 N128.003 O183 Sr24 -","- C2111.98 H2160 N512.013 O732 Sr96 -","4","0.0208333","","Diamantis, Stavros A.; Hatzidimitriou, Antonios; Plessas, Alexios K.; Pournara, Anastasia; Manos, Manolis J.; Papaefstathiou, Giannis S.; Lazarides, Theodore","Alkaline earth-organic frameworks with amino derivatives of 2,6-naphthalene dicarboxylates: structural studies and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16736","16744","10.1039/d0dt03325a","","","0.71073","MoKα","","0.0441","0.0304","","0.0676","0.0652","0.0652","","","","","","1","","","","has coordinates,has disorder","259705","2020-12-09","03:27:33",""
"7705911","16.604","0.003","16.604","0.003","18.804","0.004","90","","90","","90","","5184.1","1.7","130","","130","","","","","","","","","6","I 4/m","-I 4","87","","","","- C69 H73 Ba5 Cl3 N15 O29 -","- C69 H73 Ba5 Cl3 N15 O29 -","- C138 H146 Ba10 Cl6 N30 O58 -","2","0.125","","Diamantis, Stavros A.; Hatzidimitriou, Antonios; Plessas, Alexios K.; Pournara, Anastasia; Manos, Manolis J.; Papaefstathiou, Giannis S.; Lazarides, Theodore","Alkaline earth-organic frameworks with amino derivatives of 2,6-naphthalene dicarboxylates: structural studies and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16736","16744","10.1039/d0dt03325a","","","0.71073","MoKα","","0.0787","0.0413","","0.0836","0.0787","0.0787","","","","","","0.9472","","","","has coordinates","259705","2020-12-09","03:27:33",""
"7705912","13.013","0.0007","17.086","0.0006","30.331","0.0015","90","","101.891","0.004","90","","6599.1","0.5","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H60 F18 Mn2 N10 O16.75 -","- C51 H60 F18 Mn2 N10 O16.75 -","- C204 H240 F72 Mn8 N40 O67 -","4","0.5","","Kadilenko, E. M.; Gritsan, N. P.; Tretyakov, E. V.; Fokin, S. V.; Romanenko, G. V.; Bogomyakov, A. S.; Gorbunov, D. E.; Schollmeyer, D.; Baumgarten, M.; Ovcharenko, V. I.","A black-box approach to the construction of metal-radical multispin systems and analysis of their magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16916","16927","10.1039/d0dt03184d","","","0.71073","MoKα","","0.107","0.0663","","","0.1488","0.1753","","","","","","1.006","","","","has coordinates,has disorder","259706","2020-12-09","03:29:45",""
"7705913","18.0444","0.0015","13.4321","0.0011","25.498","0.002","90","","100.226","0.002","90","","6081.9","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 F18 N10 Ni2 O16 -","- C44 H52 F18 N10 Ni2 O16 -","- C176 H208 F72 N40 Ni8 O64 -","4","0.5","","Kadilenko, E. M.; Gritsan, N. P.; Tretyakov, E. V.; Fokin, S. V.; Romanenko, G. V.; Bogomyakov, A. S.; Gorbunov, D. E.; Schollmeyer, D.; Baumgarten, M.; Ovcharenko, V. I.","A black-box approach to the construction of metal-radical multispin systems and analysis of their magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16916","16927","10.1039/d0dt03184d","","","0.71073","MoKα","","0.0625","0.0482","","","0.1214","0.1313","","","","","","0.989","","","","has coordinates,has disorder","259706","2020-12-09","03:29:45",""
"7705914","16.188","0.005","19.63","0.006","25.31","0.008","90","","95.494","0.006","90","","8006","4","240","2","240","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H37 F12 Mn N5 O10 -","- C29 H37 F12 Mn N5 O10 -","- C232 H296 F96 Mn8 N40 O80 -","8","1","","Kadilenko, E. M.; Gritsan, N. P.; Tretyakov, E. V.; Fokin, S. V.; Romanenko, G. V.; Bogomyakov, A. S.; Gorbunov, D. E.; Schollmeyer, D.; Baumgarten, M.; Ovcharenko, V. I.","A black-box approach to the construction of metal-radical multispin systems and analysis of their magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16916","16927","10.1039/d0dt03184d","","","0.71073","MoKα","","0.1895","0.0795","","","0.217","0.2661","","","","","","0.897","","","","has coordinates,has disorder","259706","2020-12-09","03:29:45",""
"7705915","11.4322","0.0004","11.5053","0.0004","17.7893","0.0006","71.618","0.002","76.511","0.002","75.461","0.002","2118.89","0.13","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H37 Cl2 F12 Mn N5 O9 -","- C30 H37 Cl1.9998 F12 Mn N5 O9 -","- C60 H74 Cl3.9996 F24 Mn2 N10 O18 -","2","1","","Kadilenko, E. M.; Gritsan, N. P.; Tretyakov, E. V.; Fokin, S. V.; Romanenko, G. V.; Bogomyakov, A. S.; Gorbunov, D. E.; Schollmeyer, D.; Baumgarten, M.; Ovcharenko, V. I.","A black-box approach to the construction of metal-radical multispin systems and analysis of their magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16916","16927","10.1039/d0dt03184d","","","1.54178","CuKα","","0.0546","0.0487","","","0.142","0.146","","","","","","1.096","","","","has coordinates,has disorder","259706","2020-12-09","03:29:45",""
"7705916","13.1606","0.0005","17.1459","0.0006","30.5349","0.0012","90","","101.112","0.002","90","","6761","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H60 F18 Mn2 N10 O16 -","- C51 H60 F18 Mn2 N10 O16 -","- C204 H240 F72 Mn8 N40 O64 -","4","0.5","","Kadilenko, E. M.; Gritsan, N. P.; Tretyakov, E. V.; Fokin, S. V.; Romanenko, G. V.; Bogomyakov, A. S.; Gorbunov, D. E.; Schollmeyer, D.; Baumgarten, M.; Ovcharenko, V. I.","A black-box approach to the construction of metal-radical multispin systems and analysis of their magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16916","16927","10.1039/d0dt03184d","","","1.54178","CuKα","","0.0714","0.0581","","","0.1625","0.1702","","","","","","1.06","","","","has coordinates,has disorder","259706","2020-12-09","03:29:45",""
"7705919","11.9932","0.0003","32.6022","0.0008","13.3067","0.0003","90","","113.752","0.001","90","","4762.3","0.2","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H57 Cl3 Fe2 N6 O22 -","- C35 H57 Cl3 Fe2 N6 O22 -","- C140 H228 Cl12 Fe8 N24 O88 -","4","1","","Trehoux, Alexandre; Guillot, Régis; Clemancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Mahy, Jean-Pierre; Avenier, Frédéric","Bioinspired symmetrical and unsymmetrical diiron complexes for selective oxidation catalysis with hydrogen peroxide.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16657","16661","10.1039/d0dt03308a","","","0.71073","MoKα","","0.1091","0.0586","","","0.1406","0.1702","","","","","","1.014","","","","has coordinates,has disorder","259708","2020-12-09","03:31:46",""
"7705920","28.7372","0.0012","12.3704","0.0005","19.2633","0.0007","90","","109.384","0.001","90","","6459.8","0.4","100","1","100","1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C41 H64 Cl4 Fe2 N6 O26 -","- C41 H64 Cl4 Fe2 N6 O25.875 -","- C164 H256 Cl16 Fe8 N24 O103.5 -","4","0.5","","Trehoux, Alexandre; Guillot, Régis; Clemancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Mahy, Jean-Pierre; Avenier, Frédéric","Bioinspired symmetrical and unsymmetrical diiron complexes for selective oxidation catalysis with hydrogen peroxide.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16657","16661","10.1039/d0dt03308a","","","0.71073","MoKα","","0.1075","0.093","","","0.2774","0.2963","","","","","","1.214","","","","has coordinates,has disorder","259708","2020-12-09","03:31:47",""
"7705921","7.1549","0.0006","13.9178","0.0009","16.9211","0.0012","110.138","0.002","100.826","0.003","91.382","0.002","1546.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Cu N4 O13 -","- C30 H26 Cu N4 O11 -","- C60 H52 Cu2 N8 O22 -","2","1","","Zehra, Siffeen; Gómez-Ruiz, Santiago; Siddique, Hifzur R.; Tabassum, Sartaj; Arjmand, Farukh","Water soluble ionic Co(II), Cu(II) and Zn(II) diimine-glycinate complexes targeted to tRNA: structural description, <i>in vitro</i> comparative binding, cleavage and cytotoxic studies towards chemoresistant prostate cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16830","16848","10.1039/d0dt02657c","","","0.71073","MoKα","","0.0791","0.0549","","","0.1243","0.1346","","","","","","1.01","","","","has coordinates","259709","2020-12-09","03:32:57",""
"7705922","32.858","0.003","12.1027","0.001","7.3119","0.0009","90","","94.642","0.004","90","","2898.2","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 N4 O12 Zn -","- C30 H24 N4 O12 Zn -","- C120 H96 N16 O48 Zn4 -","4","0.5","","Zehra, Siffeen; Gómez-Ruiz, Santiago; Siddique, Hifzur R.; Tabassum, Sartaj; Arjmand, Farukh","Water soluble ionic Co(II), Cu(II) and Zn(II) diimine-glycinate complexes targeted to tRNA: structural description, <i>in vitro</i> comparative binding, cleavage and cytotoxic studies towards chemoresistant prostate cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16830","16848","10.1039/d0dt02657c","","","0.71073","MoKα","","0.0975","0.0743","","","0.175","0.185","","","","","","1.185","","","","has coordinates","259709","2020-12-09","03:32:58",""
"7705923","32.6329","0.0015","12.9695","0.0004","7.2447","0.0003","90","","94.143","0.002","90","","3058.2","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Co N4 O12 -","- C32 H28 Co N4 O12 -","- C128 H112 Co4 N16 O48 -","4","0.5","","Zehra, Siffeen; Gómez-Ruiz, Santiago; Siddique, Hifzur R.; Tabassum, Sartaj; Arjmand, Farukh","Water soluble ionic Co(II), Cu(II) and Zn(II) diimine-glycinate complexes targeted to tRNA: structural description, <i>in vitro</i> comparative binding, cleavage and cytotoxic studies towards chemoresistant prostate cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16830","16848","10.1039/d0dt02657c","","","0.71073","MoKα","","0.03","0.0269","","","0.0724","0.074","","","","","","1.065","","","","has coordinates","259709","2020-12-09","03:32:58",""
"7705924","32.856","0.0015","12.115","0.0006","7.2898","0.0003","90","","94.678","0.002","90","","2892","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Co N4 O12 -","- C30 H28 Co N4 O12 -","- C120 H112 Co4 N16 O48 -","4","0.5","","Zehra, Siffeen; Gómez-Ruiz, Santiago; Siddique, Hifzur R.; Tabassum, Sartaj; Arjmand, Farukh","Water soluble ionic Co(II), Cu(II) and Zn(II) diimine-glycinate complexes targeted to tRNA: structural description, <i>in vitro</i> comparative binding, cleavage and cytotoxic studies towards chemoresistant prostate cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16830","16848","10.1039/d0dt02657c","","","0.71073","MoKα","","0.0343","0.0279","","","0.0662","0.0689","","","","","","1.061","","","","has coordinates","259709","2020-12-09","03:32:58",""
"7705965","10.0448","0.0002","10.1008","0.0002","15.8343","0.0003","89.0946","0.0005","80.4186","0.0005","67.9118","0.0004","1465.95","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","[Cp(CO)~2~Mn^1^(μ-η^1^(C~α~):η^1^(C~α~)-C~α~=C~β~HPh)Au]{η^2^-Mn^2^, C~α~-[Cp(CO)~2~Mn^2^-C~α~-C~β~Ph]}","","- C32 H26 Au Mn2 O4.5 -","- C32 H26 Au Mn2 O4.5 -","- C64 H52 Au2 Mn4 O9 -","2","1","","Verpekin, Victor V.; Shor, Aleksey M.; Vasiliev, Alexander D.; Kondrasenko, Alexander A.; Chudin, Oleg S.; Ivanova-Shor, Elena A","Manganese-gold-manganese complex with vinylidene and acetylide units.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17527","17531","10.1039/d0dt03530k","","","0.71073","MoKα","","0.0506","0.0312","","","0.0663","0.0724","","","","","","1.015","","","","has coordinates","260768","2021-01-07","06:24:08",""
"7706009","27.761","0.003","3.9611","0.0005","15.6659","0.0016","90","","111.098","0.004","90","","1607.2","0.3","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C15 H11 Hg I N2 O2 S -","- C15 H11 Hg I N2 O2 S -","- C60 H44 Hg4 I4 N8 O8 S4 -","4","1","","Mahmoudi, Ghodrat; Masoudiasl, Ardavan; Babashkina, Maria G.; Frontera, Antonio; Doert, Thomas; White, Jonathan M.; Zangrando, Ennio; Zubkov, Fedor I.; Safin, Damir A.","On the importance of π-hole spodium bonding in tricoordinated Hg<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17547","17551","10.1039/d0dt03938a","","","0.71073","MoKα","","0.0889","0.0506","","","0.0781","0.0886","","","","","","0.915","","","","has coordinates","260759","2021-01-07","06:20:27",""
"7706010","4.5942","0.0001","28.1575","0.0009","13.2262","0.0003","90","","93.104","0.002","90","","1708.45","0.08","130","1","130","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Hg I2 N4 O3 -","- C13 H10 Hg I2 N4 O3 -","- C52 H40 Hg4 I8 N16 O12 -","4","1","","Mahmoudi, Ghodrat; Masoudiasl, Ardavan; Babashkina, Maria G.; Frontera, Antonio; Doert, Thomas; White, Jonathan M.; Zangrando, Ennio; Zubkov, Fedor I.; Safin, Damir A.","On the importance of π-hole spodium bonding in tricoordinated Hg<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17547","17551","10.1039/d0dt03938a","","x-ray","0.71073","MoKα","","0.0574","0.0414","","","0.0988","0.112","","","","","","0.885","","","","has coordinates","260759","2021-01-07","06:20:27",""
"7706013","9.482","0.004","10.595","0.004","13.023","0.005","90.848","0.004","107.188","0.005","96.065","0.005","1241.4","0.8","213","","213","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H70 Br2 Mn2 O2 Si8 -","- C26 H70 Br2 Mn2 O2 Si8 -","- C26 H70 Br2 Mn2 O2 Si8 -","1","0.5","","Arata, Shogo; Suzuki, Kosuke; Yamaguchi, Kazuya; Sunada, Yusuke","Supersilyl as an effective monodentate ligand to stabilize four-coordinate manganese(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17537","17541","10.1039/d0dt03837g","","","0.71075","MoKα","","0.0548","0.0485","","","0.1207","0.1263","","","","","","1.071","","","","has coordinates","260769","2021-01-07","06:24:22",""
"7706014","9.769","0.004","12.962","0.005","14.713","0.005","97.083","0.005","97.254","0.005","108.321","0.005","1728","1.1","203","","203","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H96 Mn2 N4 Si8 -","- C20 H48 Mn N2 Si4 -","- C40 H96 Mn2 N4 Si8 -","2","1","","Arata, Shogo; Suzuki, Kosuke; Yamaguchi, Kazuya; Sunada, Yusuke","Supersilyl as an effective monodentate ligand to stabilize four-coordinate manganese(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17537","17541","10.1039/d0dt03837g","","","0.71075","MoKα","","0.103","0.0714","","","0.1888","0.2151","","","","","","1.029","","","","has coordinates","260769","2021-01-07","06:24:25",""
"7706015","9.82","0.004","9.922","0.004","14.623","0.005","97.082","0.005","98.99","0.004","100.713","0.006","1365.6","0.9","243","","243","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H88 Mn2 O4 Si8 -","- C34 H72 Mn2 O4 Si8 -","- C34 H72 Mn2 O4 Si8 -","1","0.5","","Arata, Shogo; Suzuki, Kosuke; Yamaguchi, Kazuya; Sunada, Yusuke","Supersilyl as an effective monodentate ligand to stabilize four-coordinate manganese(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17537","17541","10.1039/d0dt03837g","","","0.71075","MoKα","","0.0826","0.0772","","","0.2115","0.2153","","","","","","1.073","","","","has coordinates","260769","2021-01-07","06:24:34",""
"7706016","10.0789","0.0016","23.499","0.004","18.131","0.003","90","","90.882","0.002","90","","4293.7","1.2","203","","203","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H70 Mn N4 Si4 -","- C32 H70 Mn N4 Si4 -","- C128 H280 Mn4 N16 Si16 -","4","1","","Arata, Shogo; Suzuki, Kosuke; Yamaguchi, Kazuya; Sunada, Yusuke","Supersilyl as an effective monodentate ligand to stabilize four-coordinate manganese(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17537","17541","10.1039/d0dt03837g","","","0.71075","MoKα","","0.0792","0.0635","","","0.1638","0.1754","","","","","","1.089","","","","has coordinates","260769","2021-01-07","06:24:34",""
"7706030","3.978","","17.401","","17.742","","90","","90","","90","","1228.12","","","","","","","","","","","","","7","A m m 2","A 2 -2","38","O60 Nb20 V4","Unknown","Unknown","- Ph as e kn n ow un -","- Nb20 O60 V4 -","- Nb20 O60 V4 -","1","0.125","","Caggiu, Laura; Iacomini, Antonio; Pistidda, Claudio; Farina, Valeria; Senes, Nina; Cao, Hujun; Gavini, Elisabetta; Mulas, Gabriele; Garroni, Sebastiano; Enzo, Stefano","<i>In situ</i> synchrotron radiation investigation of V<sub>2</sub>O<sub>5</sub>-Nb<sub>2</sub>O<sub>5</sub> metastable compounds: transformational kinetics at high temperatures with a new structural solution for the orthorhombic V<sub>4</sub>Nb<sub>20</sub>O<sub>60</sub> phase.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17584","17593","10.1039/d0dt03426f","","","","","","514.787","","","1034.88","","","","","0.0524171","","","","","","","has coordinates","260761","2021-01-07","06:20:41",""
"7706059","10.82","0.007","13.44","0.008","15.215","0.009","90","","100.058","0.008","90","","2179","2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl2 In N7 O S2 -","- C14 H22 Cl2 In N7 O S2 -","- C56 H88 Cl8 In4 N28 O4 S8 -","4","1","","Li, Shanhe; Khan, Muhammad Hamid; Wang, Xiaojun; Cai, Meiling; Zhang, Juzheng; Jiang, Ming; Zhang, Zhenlei; Wen, Xiao-An; Liang, Hong; Yang, Feng","Synthesis of a series of novel In(III) 2,6-diacetylpyridine bis(thiosemicarbazide) complexes: structure, anticancer function and mechanism.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17207","17220","10.1039/d0dt02266g","","","0.71073","MoKα","","0.062","0.0428","","","0.1114","0.1284","","","","","","1.035","","","","has coordinates","259981","2020-12-19","03:06:02",""
"7706060","9.7761","0.0003","14.2179","0.0006","16.717","0.0011","90","","98.698","0.005","90","","2296.9","0.2","293","","293.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cl2 In N7 O S2 -","- C16 H26 Cl2 In N7 O S2 -","- C64 H104 Cl8 In4 N28 O4 S8 -","4","0.5","","Li, Shanhe; Khan, Muhammad Hamid; Wang, Xiaojun; Cai, Meiling; Zhang, Juzheng; Jiang, Ming; Zhang, Zhenlei; Wen, Xiao-An; Liang, Hong; Yang, Feng","Synthesis of a series of novel In(III) 2,6-diacetylpyridine bis(thiosemicarbazide) complexes: structure, anticancer function and mechanism.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17207","17220","10.1039/d0dt02266g","","x-ray","0.71073","MoKα","","0.0661","0.0485","","","0.0966","0.1067","","","","","","1.171","","","","has coordinates,has disorder","259981","2020-12-19","03:06:03",""
"7706061","8.4977","0.0013","13.297","0.002","15.646","0.002","90","","103.015","0.002","90","","1722.5","0.4","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 Cl2 In N7 S2 -","- C11 H14 Cl2 In N7 S2 -","- C44 H56 Cl8 In4 N28 S8 -","4","1","","Li, Shanhe; Khan, Muhammad Hamid; Wang, Xiaojun; Cai, Meiling; Zhang, Juzheng; Jiang, Ming; Zhang, Zhenlei; Wen, Xiao-An; Liang, Hong; Yang, Feng","Synthesis of a series of novel In(III) 2,6-diacetylpyridine bis(thiosemicarbazide) complexes: structure, anticancer function and mechanism.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17207","17220","10.1039/d0dt02266g","","","0.71073","MoKα","","0.0294","0.0225","","","0.0515","0.0547","","","","","","1.049","","","","has coordinates","259981","2020-12-19","03:06:03",""
"7706062","8.5777","0.0006","11.3038","0.0008","13.9701","0.001","94.032","0.001","102.892","0.001","106.279","0.001","1254.63","0.15","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H42 Cl2 In2 N14 S4 -","- C46 H42 Cl2 In2 N14 S4 -","- C46 H42 Cl2 In2 N14 S4 -","1","0.5","","Li, Shanhe; Khan, Muhammad Hamid; Wang, Xiaojun; Cai, Meiling; Zhang, Juzheng; Jiang, Ming; Zhang, Zhenlei; Wen, Xiao-An; Liang, Hong; Yang, Feng","Synthesis of a series of novel In(III) 2,6-diacetylpyridine bis(thiosemicarbazide) complexes: structure, anticancer function and mechanism.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17207","17220","10.1039/d0dt02266g","","","0.71073","MoKα","","0.0277","0.0235","","","0.0557","0.058","","","","","","1.035","","","","has coordinates","259981","2020-12-19","03:06:03",""
"7706063","6.603","0.003","7.456","0.004","9.401","0.005","90","","91.618","0.006","90","","462.6","0.4","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- P Pb S3 -","- P Pb S3 -","- P4 Pb4 S12 -","4","1","","Wang, Peng; Abudoureheman, Maierhaba; Chen, Zhaohui","Experimental and theoretical studies of the ternary thiophosphate PbPS<sub>3</sub> featuring ethane-like [P<sub>2</sub>S<sub>6</sub>]<sup>4-</sup> units.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17221","17229","10.1039/d0dt03420g","","","0.71073","MoKα","","0.029","0.0227","","","0.043","0.0444","","","","","","1.002","","","","has coordinates","259982","2020-12-19","03:06:36",""
"7706076","10.6588","0.0007","10.6588","0.0007","34.838","0.003","90","","90","","120","","3427.7","0.4","200","2","200.15","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C22 H30 B2 F8 Fe N26 O12 -","- C22 H30 B2 F8 Fe N26 O12 -","- C66 H90 B6 F24 Fe3 N78 O36 -","3","0.166667","","Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter","Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17183","17193","10.1039/d0dt03315d","","","0.71073","MoKα","","0.0387","0.0318","","","0.0804","0.0854","","","","","","1.068","","","","has coordinates","259985","2020-12-19","03:12:37",""
"7706077","10.4735","0.0005","10.4735","0.0005","34.48","0.002","90","","90","","120","","3275.5","0.3","100","2","100.15","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C22 H30 B2 F8 Fe N26 O12 -","- C22 H30 B2 F8 Fe N26 O12 -","- C66 H90 B6 F24 Fe3 N78 O36 -","3","0.166667","","Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter","Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17183","17193","10.1039/d0dt03315d","","","0.71073","MoKα","","0.0304","0.0271","","","0.0673","0.0692","","","","","","1.072","","","","has coordinates","259985","2020-12-19","03:12:37",""
"7706078","10.53","0.003","10.576","0.003","13.836","0.004","75.4","0.008","73.122","0.007","64.974","0.007","1321.1","0.7","100.15","","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H58 B2 F8 Fe N24 O13 -","- C34 H50 B4.7 F8 Fe N24 O13 -","- C34 H50 B4.7 F8 Fe N24 O13 -","1","0.5","","Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter","Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17183","17193","10.1039/d0dt03315d","","","0.71073","MoKα","","0.2313","0.091","","","0.1728","0.2172","","","","","","1.002","","","","has coordinates","259985","2020-12-19","03:12:37",""
"7706079","10.63","0.003","10.971","0.003","14.235","0.004","74.796","0.006","71.624","0.006","63.563","0.006","1396.1","0.7","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H58 B2 F8 Fe N24 O13 -","- C34.78 H50.28 B2 F8 Fe N24 O12.9 -","- C34.78 H50.28 B2 F8 Fe N24 O12.9 -","1","0.5","","Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter","Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17183","17193","10.1039/d0dt03315d","","","0.71073","MoKα","","0.2632","0.1327","","","0.3257","0.3963","","","","","","1.014","","","","has coordinates,has disorder","259985","2020-12-19","03:12:38",""
"7706080","10.747","0.003","10.747","0.003","34.689","0.009","90","","90","","120","","3469.7","1.6","200.15","","200.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C22 H30 Cl2 Fe N26 O20 -","- C22 H30 Cl2 Fe N26 O20 -","- C66 H90 Cl6 Fe3 N78 O60 -","3","0.166667","","Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter","Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17183","17193","10.1039/d0dt03315d","","","0.71073","MoKα","","0.0886","0.0569","","","0.1449","0.1631","","","","","","1.071","","","","has coordinates","259985","2020-12-19","03:12:38",""
"7706081","10.6262","0.0013","11.0192","0.0013","27.044","0.003","96.08","0.004","93.16","0.004","116.571","0.003","2797.5","0.6","200.15","","200.15","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H58 Cl2 Fe N24 O21 -","- C34 H58 Cl2 Fe N24 O21 -","- C68 H116 Cl4 Fe2 N48 O42 -","2","1","","Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter","Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17183","17193","10.1039/d0dt03315d","","","0.71073","MoKα","","0.1889","0.0874","","","0.2197","0.2649","","","","","","1.051","","","","has coordinates","259985","2020-12-19","03:12:38",""
"7706082","10.587","0.002","10.587","0.002","34.314","0.007","90","","90","","120","","3330.8","1.1","296.15","","296.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C22 H30 Cl2 Fe N26 O20 -","- C22 H30 Cl2 Fe N26 O20 -","- C66 H90 Cl6 Fe3 N78 O60 -","3","0.166667","","Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter","Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17183","17193","10.1039/d0dt03315d","","","0.71073","MoKα","","0.0762","0.055","","","0.1329","0.1445","","","","","","1.115","","","","has coordinates","259985","2020-12-19","03:12:38",""
"7706083","10.612","0.0012","10.6186","0.0012","26.596","0.003","95.237","0.003","95.276","0.003","114.758","0.003","2681.9","0.5","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H58 Cl2 Fe N24 O21 -","- C34 H58 Cl2 Fe N24 O21 -","- C68 H116 Cl4 Fe2 N48 O42 -","2","1","","Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter","Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17183","17193","10.1039/d0dt03315d","","","0.71073","MoKα","","0.1452","0.0596","","","0.1016","0.1248","","","","","","1.01","","","","has coordinates","259985","2020-12-19","03:12:38",""
"7706084","18.0057","0.0004","11.2323","0.0006","8.0169","0.0009","90","","91.838","0.003","90","","1620.5","0.2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H16 Cl Gd N8 O7 -","- C8 H16 Cl Gd N8 O7 -","- C32 H64 Cl4 Gd4 N32 O28 -","4","0.5","","Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter","Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17183","17193","10.1039/d0dt03315d","","","0.71073","MoKα","","0.0431","0.0331","","","0.0367","0.0375","","","","1.77","1.77","1.67","","","","has coordinates","259985","2020-12-19","03:12:38",""
"7706085","14.517","0.003","19.785","0.004","24.597","0.005","75.63","0.03","72.85","0.03","74.42","0.03","6392","3","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H74 Cl3 F54 Gd3 N10 O27 -","- C95 H73 F54 Gd3 N10 O27 -","- C190 H146 F108 Gd6 N20 O54 -","2","1","","Sun, Juan; Wu, Qi; Lu, Jiao; Jing, Pei; Du, Yeshuang; Li, Licun","Slow relaxation of magnetization in lanthanide-biradical complexes based on a functionalized nitronyl nitroxide biradical.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17414","17420","10.1039/d0dt03312j","","","0.71073","MoKα","","0.1212","0.0845","","","0.2005","0.2309","","","","","","1.071","","","","has coordinates","259986","2020-12-19","03:14:05",""
"7706086","14.46","0.003","19.762","0.004","24.51","0.005","95.56","0.03","106.86","0.03","105.57","0.03","6340","3","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H74 Cl3 F54 N10 O27 Tb3 -","- C95 H73 F54 N10 O27 Tb3 -","- C190 H146 F108 N20 O54 Tb6 -","2","1","","Sun, Juan; Wu, Qi; Lu, Jiao; Jing, Pei; Du, Yeshuang; Li, Licun","Slow relaxation of magnetization in lanthanide-biradical complexes based on a functionalized nitronyl nitroxide biradical.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17414","17420","10.1039/d0dt03312j","","","0.71073","MoKα","","0.1119","0.0769","","","0.1874","0.2153","","","","","","1.132","","","","has coordinates","259986","2020-12-19","03:14:05",""
"7706087","14.509","0.003","19.777","0.004","24.544","0.005","95.37","0.03","107.02","0.03","105.55","0.03","6374","3","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H74 Cl3 Dy3 F54 N10 O27 -","- C95 H73 Dy3 F54 N10 O27 -","- C190 H146 Dy6 F108 N20 O54 -","2","1","","Sun, Juan; Wu, Qi; Lu, Jiao; Jing, Pei; Du, Yeshuang; Li, Licun","Slow relaxation of magnetization in lanthanide-biradical complexes based on a functionalized nitronyl nitroxide biradical.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17414","17420","10.1039/d0dt03312j","","","0.71073","MoKα","","0.1612","0.1177","","","0.2695","0.3055","","","","","","1.148","","","","has coordinates","259986","2020-12-19","03:14:05",""
"7706088","13.6","0.0003","23.7029","0.0006","22.3885","0.0006","90","","93.718","0.002","90","","7202","0.3","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C76 H62 Cl6 N2 Sb2 Se -","- C69 H54 Cl6 N2 Sb2 Se -","- C276 H216 Cl24 N8 Sb8 Se4 -","4","1","","Nandeshwar, Muneshwar; Adinarayana, Mannem; Srinivas, Katam; Velappan, Kavitha; Prabusankar, Ganesan","Rare antimony(III) imidazole selone complexes: steric controlled structural and bonding aspects.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17331","17340","10.1039/d0dt02999h","","","1.54184","CuKα","","0.0777","0.0735","","","0.2231","0.2278","","","","","","1.091","","","","has coordinates","259987","2020-12-19","03:16:05",""
"7706089","13.78581","0.00017","23.6833","0.0005","22.4844","0.0004","90","","91.6768","0.0015","90","","7337.9","0.2","298","","298","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C76.33 H65.67 Br6 Cl0.67 N2 Sb2 Se -","- C69 H57 Br6 N2 Sb2 Se -","- C276 H228 Br24 N8 Sb8 Se4 -","4","1","","Nandeshwar, Muneshwar; Adinarayana, Mannem; Srinivas, Katam; Velappan, Kavitha; Prabusankar, Ganesan","Rare antimony(III) imidazole selone complexes: steric controlled structural and bonding aspects.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17331","17340","10.1039/d0dt02999h","","","1.54184","CuKα","","0.0496","0.0436","","","0.1114","0.1176","","","","","","0.9521","","","","has coordinates","259987","2020-12-19","03:16:06",""
"7706090","10.17157","0.00019","23.6916","0.0006","20.4392","0.0005","90","","94.425","0.002","90","","4910.8","0.2","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 Br3 N2 Sb Se -","- C45 H40 Br3 N2 Sb Se -","- C180 H160 Br12 N8 Sb4 Se4 -","4","1","","Nandeshwar, Muneshwar; Adinarayana, Mannem; Srinivas, Katam; Velappan, Kavitha; Prabusankar, Ganesan","Rare antimony(III) imidazole selone complexes: steric controlled structural and bonding aspects.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17331","17340","10.1039/d0dt02999h","","","1.54184","CuKα","","0.0478","0.0376","","","0.0972","0.1074","","","","","","1.0298","","","","has coordinates","259987","2020-12-19","03:16:06",""
"7706091","14.0909","0.0003","20.4357","0.0004","17.3498","0.0004","90","","104.844","0.002","90","","4829.27","0.18","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 Cl3 N2 Sb Se -","- C45 H40 Cl3 N2 Sb Se -","- C180 H160 Cl12 N8 Sb4 Se4 -","4","1","","Nandeshwar, Muneshwar; Adinarayana, Mannem; Srinivas, Katam; Velappan, Kavitha; Prabusankar, Ganesan","Rare antimony(III) imidazole selone complexes: steric controlled structural and bonding aspects.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17331","17340","10.1039/d0dt02999h","","","1.54184","CuKα","","0.0416","0.0321","","","0.0813","0.0873","","","","","","1.0202","","","","has coordinates,has disorder","259987","2020-12-19","03:16:06",""
"7706092","10.6202","0.0006","11.296","0.0005","13.7122","0.0007","72.604","0.004","70.354","0.005","75.461","0.004","1457.49","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","RS-AR-9","","- C68 H56 Br2 Cu2 N6 P2 S2 -","- C68 H56 Br2 Cu2 N6 P2 S2 -","- C68 H56 Br2 Cu2 N6 P2 S2 -","1","0.5","","Khan, Ashiq; Paul, Kamaldeep; Singh, Iqubal; Jasinski, Jerry P.; Smolenski, Victoria A.; Hotchkiss, Ethan P.; Kelley, Patrick T.; Shalit, Zachary A.; Kaur, Manpreet; Banerjee, Somesh; Roy, Partha; Sharma, Rekha","Copper(I) and silver(I) complexes of anthraldehyde thiosemicarbazone: synthesis, structure elucidation, <i>in vitro</i> anti-tuberculosis/cytotoxic activity and interactions with DNA/HSA.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17350","17367","10.1039/d0dt03104f","","","0.71073","MoKα","","0.0645","0.0412","","","0.0854","0.0974","","","","","","1.039","","","","has coordinates","259988","2020-12-19","03:17:09",""
"7706093","10.4921","0.0007","12.002","0.0006","13.82","0.001","82.287","0.005","79.882","0.006","75.133","0.005","1648.6","0.19","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H60 Ag2 Cl2 N6 P2 S2 -","- C70 H60 Ag2 Cl2 N6 P2 S2 -","- C70 H60 Ag2 Cl2 N6 P2 S2 -","1","0.5","","Khan, Ashiq; Paul, Kamaldeep; Singh, Iqubal; Jasinski, Jerry P.; Smolenski, Victoria A.; Hotchkiss, Ethan P.; Kelley, Patrick T.; Shalit, Zachary A.; Kaur, Manpreet; Banerjee, Somesh; Roy, Partha; Sharma, Rekha","Copper(I) and silver(I) complexes of anthraldehyde thiosemicarbazone: synthesis, structure elucidation, <i>in vitro</i> anti-tuberculosis/cytotoxic activity and interactions with DNA/HSA.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17350","17367","10.1039/d0dt03104f","","","1.54184","CuKα","","0.0437","0.0383","","","0.0959","0.0994","","","","","","1.011","","","","has coordinates","259988","2020-12-19","03:17:09",""
"7706094","10.7478","0.0004","11.3867","0.0004","13.6861","0.0007","72.548","0.004","72.022","0.004","75.693","0.003","1497.61","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","RS-AR-12","","- C68 H56 Ag2 Br2 N6 P2 S2 -","- C68 H56 Ag2 Br2 N6 P2 S2 -","- C68 H56 Ag2 Br2 N6 P2 S2 -","1","0.5","","Khan, Ashiq; Paul, Kamaldeep; Singh, Iqubal; Jasinski, Jerry P.; Smolenski, Victoria A.; Hotchkiss, Ethan P.; Kelley, Patrick T.; Shalit, Zachary A.; Kaur, Manpreet; Banerjee, Somesh; Roy, Partha; Sharma, Rekha","Copper(I) and silver(I) complexes of anthraldehyde thiosemicarbazone: synthesis, structure elucidation, <i>in vitro</i> anti-tuberculosis/cytotoxic activity and interactions with DNA/HSA.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17350","17367","10.1039/d0dt03104f","","","0.71073","MoKα","","0.0617","0.0378","","","0.0762","0.0871","","","","","","1.025","","","","has coordinates","259988","2020-12-19","03:17:10",""
"7706095","9.3567","0.0003","13.0349","0.0004","19.9282","0.0007","87.801","0.003","83.782","0.003","84.846","0.002","2405.44","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H45 Cu N3 P2 S2 -","- C53 H45 Cu N3 P2 S2 -","- C106 H90 Cu2 N6 P4 S4 -","2","1","","Khan, Ashiq; Paul, Kamaldeep; Singh, Iqubal; Jasinski, Jerry P.; Smolenski, Victoria A.; Hotchkiss, Ethan P.; Kelley, Patrick T.; Shalit, Zachary A.; Kaur, Manpreet; Banerjee, Somesh; Roy, Partha; Sharma, Rekha","Copper(I) and silver(I) complexes of anthraldehyde thiosemicarbazone: synthesis, structure elucidation, <i>in vitro</i> anti-tuberculosis/cytotoxic activity and interactions with DNA/HSA.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17350","17367","10.1039/d0dt03104f","","","0.71073","MoKα","","0.0594","0.0418","","","0.0974","0.1077","","","","","","1.017","","","","has coordinates","259988","2020-12-19","03:17:10",""
"7706102","8.1493","0.0002","17.0654","0.0005","19.193","0.0004","90","","98.62","0.002","90","","2639.04","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H76 N12 O2 Zn4 -","- C49 H76 N12 O2 Zn4 -","- C98 H152 N24 O4 Zn8 -","2","0.5","","Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz","Structural diversity of ethylzinc derivatives of 3,5-substituted pyrazoles.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17388","17394","10.1039/d0dt03026k","","","0.71073","MoKα","","0.061","0.0409","","","0.0844","0.0916","","","","","","1.041","","","","has coordinates,has disorder","259992","2020-12-19","03:20:32",""
"7706103","11.89","0.02","15.35","0.02","22.38","0.05","72.5","0.06","88.38","0.08","69.64","0.03","3639","11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H60 N4 O1.5 Zn2 -","- C32 H60 N4 O1.5 Zn2 -","- C128 H240 N16 O6 Zn8 -","4","2","","Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz","Structural diversity of ethylzinc derivatives of 3,5-substituted pyrazoles.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17388","17394","10.1039/d0dt03026k","","","0.71073","MoKα","","0.1387","0.1088","","","0.3109","0.3274","","","","","","1.088","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7706104","7.7664","0.0003","29.8024","0.0012","16.0219","0.0006","90","","102.299","0.004","90","","3623.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 N8 O2 Zn3 -","- C32 H54 N8 O2 Zn3 -","- C128 H216 N32 O8 Zn12 -","4","1","","Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz","Structural diversity of ethylzinc derivatives of 3,5-substituted pyrazoles.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17388","17394","10.1039/d0dt03026k","","","0.71073","MoKα","","0.0379","0.0296","","","0.0629","0.0654","","","","","","1.051","","","","has coordinates","259992","2020-12-19","03:20:33",""
"7706105","10.982","0.0015","18.677","0.003","14.857","0.002","90","","109.536","0.008","90","","2871.9","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H46.24 N4 Zn2 -","- C26 H46.24 N4 Zn2 -","- C104 H184.96 N16 Zn8 -","4","1","","Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz","Structural diversity of ethylzinc derivatives of 3,5-substituted pyrazoles.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17388","17394","10.1039/d0dt03026k","","","0.71073","MoKα","","0.2046","0.1877","","","0.4182","0.4252","","","","","","1.141","","","","has coordinates,has disorder","259992","2020-12-19","03:20:33",""
"7706106","14.0604","0.0004","18.0359","0.0006","17.1111","0.0006","90","","92.433","0.003","90","","4335.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H70 N8 Zn3 -","- C40 H70 N8 Zn3 -","- C160 H280 N32 Zn12 -","4","1","","Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz","Structural diversity of ethylzinc derivatives of 3,5-substituted pyrazoles.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17388","17394","10.1039/d0dt03026k","","","0.71073","MoKα","","0.0799","0.0475","","","0.1028","0.1212","","","","","","1.053","","","","has coordinates","259992","2020-12-19","03:20:33",""
"7706107","12.2907","0.0009","16.3872","0.001","13.4133","0.0011","90","","109.417","0.008","90","","2547.9","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 N4 O2 Zn2 -","- C26 H36 N4 O2 Zn2 -","- C104 H144 N16 O8 Zn8 -","4","0.5","","Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz","Structural diversity of ethylzinc derivatives of 3,5-substituted pyrazoles.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17388","17394","10.1039/d0dt03026k","","x-ray","0.71073","MoKα","","0.0653","0.0564","","","0.1447","0.1602","","","","","","1.0447","","","","has coordinates","259992","2020-12-19","03:20:33",""
"7706108","8.4133","0.0014","7.1479","0.0011","7.505","0.0011","90","","90","","90","","451.33","0.12","130","2","130","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C5 H10 I N2 P -","- C5 H10 I N2 P -","- C10 H20 I2 N4 P2 -","2","0.25","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.0735","0.0639","","","0.1431","0.148","","","","","","1.288","","","","has coordinates,has disorder","259993","2020-12-19","03:23:27",""
"7706109","9.245","0.0005","7.4965","0.0004","10.4442","0.0006","90","","115.069","0.003","90","","655.65","0.06","130","2","130","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H18 I N2 P -","- C9 H18 I N2 P -","- C18 H36 I2 N4 P2 -","2","0.5","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.021","0.0194","","","0.0483","0.0496","","","","","","1.188","","","","has coordinates","259993","2020-12-19","03:23:29",""
"7706110","21.5771","0.0013","14.8112","0.0008","21.4093","0.0011","90","","90","","90","","6842","0.7","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H46 I N4 P -","- C32 H46 I N4 P -","- C256 H368 I8 N32 P8 -","8","1","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.0726","0.0383","","","0.0759","0.0861","","","","","","1.015","","","","has coordinates,has disorder","259993","2020-12-19","03:23:29",""
"7706111","17.815","0.0008","19.1134","0.0009","14.7481","0.0007","90","","114.254","0.002","90","","4578.5","0.4","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27.5 I N2.5 P -","- C22 H27.5 I N2.5 P -","- C176 H220 I8 N20 P8 -","8","2","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.053","0.0323","","","0.0734","0.083","","","","","","1.01","","","","has coordinates,has disorder","259993","2020-12-19","03:23:29",""
"7706112","40.4446","0.0012","10.7492","0.0003","12.5916","0.0003","90","","90","","90","","5474.2","0.3","135","2","135","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H41 N2 P -","- C29 H41 N2 P -","- C232 H328 N16 P8 -","8","2","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","1.54178","CuKα","","0.0574","0.0449","","","0.1025","0.1085","","","","","","1.033","","","","has coordinates,has disorder","259993","2020-12-19","03:23:29",""
"7706113","10.3552","0.0006","7.0047","0.0004","37.0995","0.0019","90","","97.948","0.003","90","","2665.2","0.3","135","2","135","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H39 N2 P -","- C28 H39 N2 P -","- C112 H156 N8 P4 -","4","1","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.1087","0.0528","","","0.0994","0.1174","","","","","","1.001","","","","has coordinates","259993","2020-12-19","03:23:29",""
"7706114","9.4999","0.0003","19.6312","0.0007","16.2528","0.0006","90","","100.794","0.002","90","","2977.43","0.18","135","2","135","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H42 B F4 N2 P -","- C29 H42 B F4 N2 P -","- C116 H168 B4 F16 N8 P4 -","4","1","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.0851","0.0594","","","0.145","0.169","","","","","","1.041","","","","has coordinates,has disorder","259993","2020-12-19","03:23:30",""
"7706115","9.6514","0.0005","19.5693","0.0009","16.5413","0.0007","90","","101.591","0.002","90","","3060.5","0.2","135","2","135","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 B F4 N2 P -","- C30 H44 B F4 N2 P -","- C120 H176 B4 F16 N8 P4 -","4","1","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.0823","0.0521","","","0.1212","0.1366","","","","","","1.032","","","","has coordinates,has disorder","259993","2020-12-19","03:23:30",""
"7706116","16.2797","0.0011","19.2139","0.0011","20.2982","0.0014","90","","90","","90","","6349.2","0.7","135","2","135","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C28 H40 B Cl2 F4 N2 P -","- C28 H40 B Cl2 F4 N2 P -","- C224 H320 B8 Cl16 F32 N16 P8 -","8","0.5","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.0936","0.0699","","","0.1937","0.2139","","","","","","1.03","","","","has coordinates,has disorder","259993","2020-12-19","03:23:30",""
"7706117","10.6034","0.0005","27.3731","0.0013","16.1467","0.0007","90","","91.181","0.002","90","","4685.6","0.4","135","2","135","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 B F4 N2 P -","- C22 H28 B F4 N2 P -","- C176 H224 B8 F32 N16 P8 -","8","2","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.1427","0.0944","","","0.237","0.2697","","","","","","1.036","","","","has coordinates,has disorder","259993","2020-12-19","03:23:30",""
"7706118","18.554","0.0005","19.0734","0.0006","8.1713","0.0002","90","","90","","90","","2891.72","0.14","135","2","135","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H42 B F4 N2 P -","- C29 H42 B F4 N2 P -","- C116 H168 B4 F16 N8 P4 -","4","0.5","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.0592","0.043","","","0.11","0.1223","","","","","","1.049","","","","has coordinates","259993","2020-12-19","03:23:30",""
"7706119","30.49","0.002","32.625","0.002","12.8127","0.0008","90","","90","","90","","12745.3","1.4","130","2","130","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C28 H40.5 I N2.5 O0.5 P -","- C27 H38 I N2 P -","- C432 H608 I16 N32 P16 -","16","1","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.0688","0.0647","","","0.1886","0.1944","","","","","","1.106","","","","has coordinates,has disorder","259993","2020-12-19","03:23:30",""
"7706124","9.9361","0.0008","10.0331","0.0007","14.4174","0.0012","84.088","0.004","77.796","0.004","65.153","0.003","1274.59","0.18","238.22","","238.22","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H25 Mo5 N4 O23.5 P2 -","- C6 H25 Mo5 N4 O23.5 P2 -","- C12 H50 Mo10 N8 O47 P4 -","2","1","","Zhang, Shan; Lu, Ying; Sun, Xiuwei; Li, Zhuo; Dang, Tianyi; Liu, Shuxia","Proton transfer in polyamine-P<sub>2</sub>Mo<sub>5</sub> model adducts: exploring the effect of polyamine cations on their proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17301","17309","10.1039/d0dt03446k","","","0.71073","MoKα","","0.0792","0.0385","","","0.0607","0.0706","","","","","","1.012","","","","has coordinates,has disorder","259995","2020-12-19","03:26:46",""
"7706125","10.3242","0.0014","10.9734","0.0015","15.718","0.002","95.654","0.006","95.813","0.005","111.47","0.004","1630.9","0.4","113.09","","113.09","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H40 Mo5 N6 O27 P2 -","- C8 H40 Mo5 N6 O27 P2 -","- C16 H80 Mo10 N12 O54 P4 -","2","1","","Zhang, Shan; Lu, Ying; Sun, Xiuwei; Li, Zhuo; Dang, Tianyi; Liu, Shuxia","Proton transfer in polyamine-P<sub>2</sub>Mo<sub>5</sub> model adducts: exploring the effect of polyamine cations on their proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17301","17309","10.1039/d0dt03446k","","","0.71073","MoKα","","0.0305","0.0254","","","0.0616","0.0648","","","","","","1.127","","","","has coordinates","259995","2020-12-19","03:26:46",""
"7706126","8.95682","0.00016","14.2454","0.0002","18.8663","0.0003","82.031","0.0013","84.2723","0.0013","89.8078","0.0014","2371.93","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H54 N6 O12 U2 -","- C46 H54 N6 O12 U2 -","- C92 H108 N12 O24 U4 -","2","1","","Azam, Mohammad; Kumar, Umesh; Olowoyo, Joshua O.; Al-Resayes, Saud I; Trzesowska-Kruszynska, Agata; Kruszynski, Rafal; Islam, Mohammad Shahidul; Khan, Mohammad Rizwan; Adil, S. F.; Siddiqui, Mohammad Rafique; Al-Harthi, Fahad Ahmed; Alinzi, Abdul Karim; Wabaidur, Saikh Mohammad; Siddiqui, Masoom Raza; Shaik, Mohammed Rafi; Jain, Suman L.; Farkhondehfal, M. Amin; Hernàndez, Simelys","Dinuclear uranium(VI) salen coordination compound: an efficient visible-light-active catalyst for selective reduction of CO<sub>2</sub> to methanol.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17243","17251","10.1039/d0dt02620d","","x-ray","1.54184","CuKα","","0.0306","0.0306","","","0.0884","0.0885","","","","","","1.189","","","","has coordinates","259996","2020-12-19","03:27:15",""
"7706129","10.6462","0.0013","9.5942","0.0013","17.992","0.002","90","","98.317","0.005","90","","1818.4","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H32 Cl6 N6 Ru -","- C38 H32 Cl6 N6 Ru -","- C76 H64 Cl12 N12 Ru2 -","2","1","","Ghaderian, Abolfazl; Franke, Alicja; Gil-Sepulcre, Marcos; Benet-Buchholz, Jordi; Llobet, Antoni; Ivanović-Burmazović, Ivana; Gimbert-Suriñach, Carolina","A broad view on the complexity involved in water oxidation catalysis based on Ru-bpn complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17375","17387","10.1039/d0dt03548c","","","0.71073","MoKα","","0.0732","0.0544","","","0.1095","0.1172","","","","","","1.032","","","","has coordinates","298703","2025-04-03","05:34:23",""
"7706130","23.8599","0.0017","13.0679","0.0009","26.5063","0.0018","90","","93.5948","0.0019","90","","8248.4","1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33.6 H27.8 F6 N5 O7.8 Ru S2 -","- C33.6 H27.8 F6 N5 O7.8 Ru S2 -","- C268.8 H222.4 F48 N40 O62.4 Ru8 S16 -","8","1","","Ghaderian, Abolfazl; Franke, Alicja; Gil-Sepulcre, Marcos; Benet-Buchholz, Jordi; Llobet, Antoni; Ivanović-Burmazović, Ivana; Gimbert-Suriñach, Carolina","A broad view on the complexity involved in water oxidation catalysis based on Ru-bpn complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17375","17387","10.1039/d0dt03548c","","","0.71073","MoKα","","0.0962","0.0735","","","0.2088","0.2302","","","","","","1.082","","","","has coordinates,has disorder","259998","2020-12-19","03:28:19",""
"7706131","28.6009","0.001","19.1656","0.0006","32.2296","0.0011","90","","113.648","0.001","90","","16183.2","0.9","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H136 Fe9 N48 O34 Re5 W -","- C82 H96 Fe9 N48 O34 Re4.9998 W1.0002 -","- C328 H384 Fe36 N192 O136 Re19.9992 W4.0008 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0645","0.0543","","","0.1183","0.1233","","","","","","1.205","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706132","28.7382","0.0011","18.9574","0.0007","32.1517","0.0012","90","","114.259","0.001","90","","15969.6","1","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H136 Fe9 N48 O34 Re4 W2 -","- C82 H96 Fe9 N48 O34 Re4.0002 W1.9998 -","- C328 H384 Fe36 N192 O136 Re16.0008 W7.9992 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0743","0.0451","","","0.0973","0.1095","","","","","","1.035","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706133","28.662","0.0017","19.4695","0.001","32.62","0.003","90","","113.855","0.002","90","","16648","2","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H136 Fe9 N48 O34 Re5 W -","- C82 H96 Fe9 N48 O34 Re4.9998 W1.0002 -","- C328 H384 Fe36 N192 O136 Re19.9992 W4.0008 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0687","0.0478","","","0.1125","0.1296","","","","","","1.041","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706134","28.6739","0.0009","19.4246","0.0006","32.637","0.001","90","","113.623","0.001","90","","16654.8","0.9","240","","240","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H136 Fe9 N48 O34 Re5 W -","- C82 H96 Fe9 N48 O34 Re4.9998 W1.0002 -","- C328 H384 Fe36 N192 O136 Re19.9992 W4.0008 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0436","0.0347","","","0.0827","0.0873","","","","","","1.092","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706135","28.842","0.006","19.362","0.004","32.652","0.009","90","","113.953","0.007","90","","16664","7","240","","240","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H144 Fe9 N48 O36 Re2 W4 -","- C84 H96 Fe9 N48 O36 Re1.9998 W4.0002 -","- C336 H384 Fe36 N192 O144 Re7.9992 W16.0008 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0646","0.0477","","","0.1138","0.1207","","","","","","1.059","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706136","28.846","0.007","19.201","0.005","32.426","0.007","90","","114.211","0.008","90","","16380","7","240","","240","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H136 Fe9 N48 O34 Re3 W3 -","- C82 H96 Fe9 N48 O34 Re3 W3 -","- C328 H384 Fe36 N192 O136 Re12 W12 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0906","0.0539","","","0.1107","0.1231","","","","","","1.053","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706137","28.783","0.002","19.2494","0.0015","32.457","0.003","90","","114.169","0.002","90","","16407","2","240","","240","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H136 Fe9 N48 O34 Re4 W2 -","- C82 H96 Fe9 N48 O34 Re4.0002 W1.9998 -","- C328 H384 Fe36 N192 O136 Re16.0008 W7.9992 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0538","0.035","","","0.0739","0.08","","","","","","1.055","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706138","28.68","0.0014","18.9812","0.001","32.211","0.002","90","","114.156","0.001","90","","15999.6","1.5","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H136 Fe9 N48 O34 Re3 W3 -","- C82 H96 Fe9 N48 O34 Re3 W3 -","- C328 H384 Fe36 N192 O136 Re12 W12 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0609","0.0402","","","0.0934","0.104","","","","","","1.047","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706139","28.691","0.004","19.556","0.002","32.72","0.004","90","","113.535","0.003","90","","16831","4","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H144 Fe9 N48 O36 Re2 W4 -","- C84 H96 Fe9 N48 O36 Re1.9998 W4.0002 -","- C336 H384 Fe36 N192 O144 Re7.9992 W16.0008 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0768","0.0504","","","0.1142","0.1277","","","","","","1.034","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706140","28.5946","0.0008","19.2126","0.0005","32.3269","0.0009","90","","113.499","0.001","90","","16286.8","0.8","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C87 H156 Fe9 N48 O39 Re W5 -","- C87 H96 Fe9 N48 O39 Re1.0002 W4.9998 -","- C348 H384 Fe36 N192 O156 Re4.0008 W19.9992 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0485","0.0354","","","0.0769","0.0824","","","","","","1.067","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706141","28.7447","0.0009","19.4568","0.0006","32.6354","0.0014","90","","113.453","0.001","90","","16744.4","1","240","","240","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C87 H156 Fe9 N48 O39 Re W5 -","- C87 H96 Fe9 N48 O39 Re1.0002 W4.9998 -","- C348 H384 Fe36 N192 O156 Re4.0008 W19.9992 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0552","0.036","","","0.0759","0.0827","","","","","","1.031","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706142","28.82","0.002","19.5768","0.0015","32.775","0.003","90","","113.647","0.001","90","","16939","2","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C87 H156 Fe9 N48 O39 Re W5 -","- C87 H96 Fe9 N48 O39 Re1.0002 W4.9998 -","- C348 H384 Fe36 N192 O156 Re4.0008 W19.9992 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0629","0.0413","","","0.0889","0.1007","","","","","","1.074","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706143","28.828","0.003","19.3983","0.0019","32.625","0.004","90","","114.134","0.002","90","","16650","3","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H136 Fe9 N48 O34 Re3 W3 -","- C82 H96 Fe9 N48 O34 Re3 W3 -","- C328 H384 Fe36 N192 O136 Re12 W12 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0534","0.0375","","","0.0734","0.0785","","","","","","1.097","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706144","28.6105","0.0009","19.1986","0.0006","32.2988","0.001","90","","113.529","0.001","90","","16266.1","0.9","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H144 Fe9 N48 O36 Re2 W4 -","- C84 H96 Fe9 N48 O36 Re1.9998 W4.0002 -","- C336 H384 Fe36 N192 O144 Re7.9992 W16.0008 -","4","0.5","","Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert","Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17321","17330","10.1039/d0dt03340e","","","0.71073","MoKα","","0.0517","0.0405","","","0.0872","0.0923","","","","","","1.125","","","","has coordinates,has disorder","259999","2020-12-19","03:31:32",""
"7706145","7.5494","0.0003","9.9887","0.0003","12.8842","0.0005","94.265","0.003","91.214","0.002","112.2","0.006","895.79","0.07","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H32 Fe2 P6 -","- C39 H32 Fe2 P6 -","- C39 H32 Fe2 P6 -","1","0.5","","Petrov, Andrey V.; Zagidullin, Almaz A.; Bezkishko, Ilya A.; Khrizanforov, Mikhail N.; Kholin, Kirill V.; Gerasimova, Tatiana P.; Ivshin, Kamil A.; Shekurov, Ruslan P.; Katsyuba, Sergey A.; Kataeva, Olga N.; Budnikova, Yulia H.; Miluykov, Vasili A.","Synthesis, structure, and electrochemical properties of 4,5-diaryl-1,2,3-triphosphaferrocenes and the first example of multi(phosphaferrocene).","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17252","17262","10.1039/d0dt03281f","","","0.71073","MoKα","","0.0585","0.048","","","0.1333","0.1388","","","","","","1.036","","","","has coordinates,has disorder","260000","2020-12-19","03:32:42",""
"7706146","11.6056","0.001","7.0005","0.0006","21.4608","0.0018","90","","95.376","0.004","90","","1735.9","0.3","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Fe P3 -","- C19 H15 Fe P3 -","- C76 H60 Fe4 P12 -","4","1","","Petrov, Andrey V.; Zagidullin, Almaz A.; Bezkishko, Ilya A.; Khrizanforov, Mikhail N.; Kholin, Kirill V.; Gerasimova, Tatiana P.; Ivshin, Kamil A.; Shekurov, Ruslan P.; Katsyuba, Sergey A.; Kataeva, Olga N.; Budnikova, Yulia H.; Miluykov, Vasili A.","Synthesis, structure, and electrochemical properties of 4,5-diaryl-1,2,3-triphosphaferrocenes and the first example of multi(phosphaferrocene).","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17252","17262","10.1039/d0dt03281f","","","0.71073","MoKα","","0.0546","0.0451","","","0.1084","0.1133","","","","","","1.046","","","","has coordinates","260000","2020-12-19","03:32:42",""
"7706147","8.313","0.004","21.426","0.009","21.959","0.008","90","","90","","90","","3911","3","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C48 H96 Cl48 N72 Pb12 -","12","3","","Guo, Yuan-Yuan; Yang, Lin-Jie; McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip","Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17274","17280","10.1039/d0dt02936j","","","0.71075","MoKα","","0.0407","0.0314","","","0.069","0.0708","","","","","","0.892","","","","has coordinates","260001","2020-12-19","03:33:35",""
"7706148","8.3092","0.0005","7.5086","0.0005","21.5925","0.0017","90","","90","","90","","1347.17","0.16","298","2","298","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C16 H32 Cl16 N24 Pb4 -","4","0.25","","Guo, Yuan-Yuan; Yang, Lin-Jie; McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip","Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17274","17280","10.1039/d0dt02936j","","","0.71075","MoKα","","0.025","0.024","","","0.0555","0.0559","","","","","","1.229","","","","has coordinates","260001","2020-12-19","03:33:35",""
"7706149","9.6451","0.0007","8.4001","0.0005","8.3932","0.0005","90","","97.016","0.008","90","","674.92","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 Br4 N6 Pb -","- C4 H8 Br4 N6 Pb -","- C8 H16 Br8 N12 Pb2 -","2","0.5","","Guo, Yuan-Yuan; Yang, Lin-Jie; McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip","Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17274","17280","10.1039/d0dt02936j","","","0.71075","MoKα","","0.0285","0.0263","","","0.0668","0.0675","","","","","","1.082","","","","has coordinates","260001","2020-12-19","03:33:35",""
"7706150","8.306","0.0005","7.4959","0.0005","21.5814","0.0017","90","","90","","90","","1343.68","0.16","173","2","173","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C16 H32 Cl16 N24 Pb4 -","4","0.25","","Guo, Yuan-Yuan; Yang, Lin-Jie; McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip","Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17274","17280","10.1039/d0dt02936j","","","0.71075","MoKα","","0.0288","0.0269","","","0.0616","0.0623","","","","","","1.235","","","","has coordinates","260001","2020-12-19","03:33:35",""
"7706151","8.321","0.005","21.465","0.012","22.084","0.01","90","","90","","90","","3944","4","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C48 H96 Cl48 N72 Pb12 -","12","3","","Guo, Yuan-Yuan; Yang, Lin-Jie; McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip","Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17274","17280","10.1039/d0dt02936j","","","0.71075","MoKα","","0.0454","0.0339","","","0.0692","0.0717","","","","","","0.868","","","","has coordinates","260001","2020-12-19","03:33:35",""
"7706152","9.6028","0.0012","20.805","0.002","19.776","0.003","90","","90","","90","","3951","0.9","93","2","93","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H20 I10 N12 O2 Pb3 -","- C8 H20 I10 N12 O2 Pb3 -","- C32 H80 I40 N48 O8 Pb12 -","4","0.25","","Guo, Yuan-Yuan; Yang, Lin-Jie; McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip","Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17274","17280","10.1039/d0dt02936j","","","0.71075","MoKα","","0.0159","0.0151","","","0.0336","0.0338","","","","","","1.18","","","","has coordinates","260001","2020-12-19","03:33:35",""
"7706153","6.2517","0.0001","13.7892","0.0003","7.2894","0.0002","90","","94.507","0.002","90","","626.45","0.02","164","2","164","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","nickel diphosphate hydrate","dinickel diphosphate dihydrate","","- H4 Ni2 O9 P2 -","- H4 Ni2 O9 P2 -","- H16 Ni8 O36 P8 -","4","1","","Kiriukhina, Galina V.; Yakubovich, Olga V.; Shvanskaya, Larisa V.; Ovchenkov, Yevgeniy A.; Volkov, Anatoly S.; Dimitrova, Olga V.; Simonov, Sergey V.; Vasiliev, Alexander N.","Crystal structure and thermodynamic properties of dinickel diphosphate dihydrate Ni<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>[P<sub>2</sub>O<sub>7</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17368","17374","10.1039/d0dt03505j","","","0.71073","MoKα","","0.0191","0.016","","","0.0383","0.0389","","","","","","1.125","","","","has coordinates","260002","2020-12-19","03:34:09",""
"7706166","13","0.001","7.543","0.001","19.01","0.0001","90","","130.07","0.001","90","","1426.5","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- F4 K4 O11 P2 S2 -","- F4 K4 O11 P2 S2 -","- F16 K16 O44 P8 S8 -","4","0.5","","Zhang, Wenyao; Jin, Wenqi; Yang, Zhihua; Pan, Shilie","K<sub>4</sub>(PO<sub>2</sub>F<sub>2</sub>)<sub>2</sub>(S<sub>2</sub>O<sub>7</sub>): first fluorooxophosphorsulfate with mixed-anion [S<sub>2</sub>O<sub>7</sub>]<sup>2-</sup> and [PO<sub>2</sub>F<sub>2</sub>]<sup>-</sup> groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17658","17664","10.1039/d0dt03307c","","","0.71073","MoKα","","0.0784","0.0471","","","0.0732","0.0812","","","","","","1.125","","","","has coordinates","260101","2020-12-23","02:55:27",""
"7706181","14.6015","0.0007","14.6038","0.0008","13.9168","0.0007","90","","90","","90","","2967.6","0.3","106","2","105.87","","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C33.94 H32 N4 O4 U -","- C34 H32 N4 O4 U -","- C136 H128 N16 O16 U4 -","4","0.5","","Radoske, Thomas; Kloditz, Roger; Fichter, Sebastian; März, Juliane; Kaden, Peter; Patzschke, Michael; Schmidt, Moritz; Stumpf, Thorsten; Walter, Olaf; Ikeda-Ohno, Atsushi","Systematic comparison of the structure of homoleptic tetradentate N<sub>2</sub>O<sub>2</sub>-type Schiff base complexes of tetravalent f-elements (M(IV) = Ce, Th, U, Np, and Pu) in solid state and in solution.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17559","17570","10.1039/d0dt03405c","","","0.71073","MoKα","","0.0337","0.0251","","","0.048","0.0547","","","","","","1.243","","","","has coordinates,has disorder","260105","2020-12-23","03:02:24",""
"7706182","8.5959","0.0007","13.3829","0.001","13.4915","0.001","103.25","0.002","100.909","0.002","97.822","0.002","1457","0.2","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 Ce N4 O4 -","- C34 H32 Ce N4 O4 -","- C68 H64 Ce2 N8 O8 -","2","1","","Radoske, Thomas; Kloditz, Roger; Fichter, Sebastian; März, Juliane; Kaden, Peter; Patzschke, Michael; Schmidt, Moritz; Stumpf, Thorsten; Walter, Olaf; Ikeda-Ohno, Atsushi","Systematic comparison of the structure of homoleptic tetradentate N<sub>2</sub>O<sub>2</sub>-type Schiff base complexes of tetravalent f-elements (M(IV) = Ce, Th, U, Np, and Pu) in solid state and in solution.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17559","17570","10.1039/d0dt03405c","","x-ray","0.71073","MoKα","","0.0326","0.0256","","","0.0587","0.0613","","","","","","1.068","","","","has coordinates","260105","2020-12-23","03:02:25",""
"7706183","14.591","0.0008","14.5959","0.0008","13.8205","0.0007","90","","90","","90","","2943.3","0.3","100","","100","","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C34 H32 N4 O4 Pu -","- C34 H32 N4 O4 Pu -","- C136 H128 N16 O16 Pu4 -","4","0.5","","Radoske, Thomas; Kloditz, Roger; Fichter, Sebastian; März, Juliane; Kaden, Peter; Patzschke, Michael; Schmidt, Moritz; Stumpf, Thorsten; Walter, Olaf; Ikeda-Ohno, Atsushi","Systematic comparison of the structure of homoleptic tetradentate N<sub>2</sub>O<sub>2</sub>-type Schiff base complexes of tetravalent f-elements (M(IV) = Ce, Th, U, Np, and Pu) in solid state and in solution.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17559","17570","10.1039/d0dt03405c","","x-ray","0.71073","MoKα","","0.0538","0.0328","","","0.058","0.0652","","","","","","1.288","","","","has coordinates,has disorder","260105","2020-12-23","03:02:25",""
"7706184","14.7012","0.0007","14.7004","0.0007","13.9369","0.0007","90","","90","","90","","3012","0.3","293","2","293","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C34 H32 N4 O4 Th -","- C34 H32 N4 O4 Th -","- C136 H128 N16 O16 Th4 -","4","0.5","","Radoske, Thomas; Kloditz, Roger; Fichter, Sebastian; März, Juliane; Kaden, Peter; Patzschke, Michael; Schmidt, Moritz; Stumpf, Thorsten; Walter, Olaf; Ikeda-Ohno, Atsushi","Systematic comparison of the structure of homoleptic tetradentate N<sub>2</sub>O<sub>2</sub>-type Schiff base complexes of tetravalent f-elements (M(IV) = Ce, Th, U, Np, and Pu) in solid state and in solution.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17559","17570","10.1039/d0dt03405c","","","0.71073","MoKα","","0.04","0.0295","","","0.0618","0.0669","","","","","","1.195","","","","has coordinates,has disorder","260105","2020-12-23","03:02:25",""
"7706185","14.6108","0.0014","13.4604","0.0013","14.9187","0.0015","90","","91.48","0.003","90","","2933","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Ce N4 O4 -","- C34 H32 Ce N4 O4 -","- C136 H128 Ce4 N16 O16 -","4","1","","Radoske, Thomas; Kloditz, Roger; Fichter, Sebastian; März, Juliane; Kaden, Peter; Patzschke, Michael; Schmidt, Moritz; Stumpf, Thorsten; Walter, Olaf; Ikeda-Ohno, Atsushi","Systematic comparison of the structure of homoleptic tetradentate N<sub>2</sub>O<sub>2</sub>-type Schiff base complexes of tetravalent f-elements (M(IV) = Ce, Th, U, Np, and Pu) in solid state and in solution.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17559","17570","10.1039/d0dt03405c","","x-ray","0.71073","MoKα","","0.076","0.0622","","","0.1389","0.1557","","","","","","1.065","","","","has coordinates","260105","2020-12-23","03:02:25",""
"7706186","14.5915","0.0011","14.5923","0.0011","13.8426","0.0011","90","","90","","90","","2947.4","0.4","100","2","99.99","","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C34 H32 N4 Np O4 -","- C34 H32 N4 Np O4 -","- C136 H128 N16 Np4 O16 -","4","0.5","","Radoske, Thomas; Kloditz, Roger; Fichter, Sebastian; März, Juliane; Kaden, Peter; Patzschke, Michael; Schmidt, Moritz; Stumpf, Thorsten; Walter, Olaf; Ikeda-Ohno, Atsushi","Systematic comparison of the structure of homoleptic tetradentate N<sub>2</sub>O<sub>2</sub>-type Schiff base complexes of tetravalent f-elements (M(IV) = Ce, Th, U, Np, and Pu) in solid state and in solution.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17559","17570","10.1039/d0dt03405c","","x-ray","0.71073","MoKα","","0.0364","0.0294","","","0.0521","0.0554","","","","","","1.183","","","","has coordinates,has disorder","260105","2020-12-23","03:02:25",""
"7706190","7.4259","0.0003","8.5641","0.0003","10.8957","0.0004","82.941","0.003","84.961","0.003","77.506","0.003","670.04","0.04","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl4 Fe2 N6 O2 -","- C24 H22 Cl4 Fe2 N6 O2 -","- C24 H22 Cl4 Fe2 N6 O2 -","1","0.5","","Verhoeven, Dide G. A.; Albrecht, Martin","Modular O- <i>vs.</i> N-coordination of pyridylidene amide ligands to iron determines activity in alcohol oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17674","17682","10.1039/d0dt02818e","","x-ray","0.71073","MoKα","","0.033","0.0269","","","0.0627","0.0666","","","","","","1.039","","","","has coordinates","260107","2020-12-23","03:04:47",""
"7706191","7.80925","0.00005","18.68619","0.00009","9.50696","0.00005","90","","93.6941","0.0005","90","","1384.42","0.013","173","0.1","173","0.1","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C23 H29 Cl2 Fe N5 O4 S2 -","- C23 H29 Cl2 Fe N5 O4 S2 -","- C46 H58 Cl4 Fe2 N10 O8 S4 -","2","0.5","","Verhoeven, Dide G. A.; Albrecht, Martin","Modular O- <i>vs.</i> N-coordination of pyridylidene amide ligands to iron determines activity in alcohol oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17674","17682","10.1039/d0dt02818e","","x-ray","1.54184","CuKα","","0.0341","0.0334","","","0.089","0.0896","","","","","","1.047","","","","has coordinates","260107","2020-12-23","03:04:57",""
"7706192","20.8273","0.0001","13.9967","0.0001","19.108","0.0001","90","","95.427","0.001","90","","5545.27","0.06","173","0.1","173","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C23 H29 Cl2 Fe N5 O4 S2 -","- C23 H29 Cl2 Fe N5 O4 S2 -","- C184 H232 Cl16 Fe8 N40 O32 S16 -","8","1","","Verhoeven, Dide G. A.; Albrecht, Martin","Modular O- <i>vs.</i> N-coordination of pyridylidene amide ligands to iron determines activity in alcohol oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17674","17682","10.1039/d0dt02818e","","x-ray","1.54184","CuKα","","0.0351","0.0323","","","0.0891","0.0909","","","","","","1.091","","","","has coordinates","260107","2020-12-23","03:05:00",""
"7706193","19.64797","0.00016","15.77189","0.00015","9.27194","0.00008","90","","97.2461","0.0008","90","","2850.29","0.04","173.01","0.1","173.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl Fe I N6 O -","- C27 H26 Cl Fe I N6 O -","- C108 H104 Cl4 Fe4 I4 N24 O4 -","4","1","","Verhoeven, Dide G. A.; Albrecht, Martin","Modular O- <i>vs.</i> N-coordination of pyridylidene amide ligands to iron determines activity in alcohol oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17674","17682","10.1039/d0dt02818e","","x-ray","0.71073","MoKα","","0.0409","0.0315","","","0.0743","0.0791","","","","","","1.044","","","","has coordinates","260107","2020-12-23","03:05:10",""
"7706194","12.8764","0.0016","15.6215","0.0019","15.7745","0.0019","71.766","0.005","77.414","0.005","80.424","0.005","2924.7","0.6","100","","100","","","","","","","","see text","7","P -1","-P 1","2","","[Zn2(PDIeCy)(OTf)4]","","- C37 H53 F12 N7 O12 S4 Zn2 -","- C37 H53 F12 N7 O12 S4 Zn2 -","- C74 H106 F24 N14 O24 S8 Zn4 -","2","1","","Hofmann, Andreas J.; Niederegger, Lukas; Hess, Corinna R.","Neighbouring effects on catalytic epoxidation by Fe-cyclam in M<sub>2</sub>-PDIxCy complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17642","17648","10.1039/d0dt03758c","","x-ray","0.71073","MoKα","","0.0919","0.0734","","","0.2023","0.226","","","","","","1.056","","","","has coordinates,has disorder","260108","2020-12-23","03:06:05",""
"7706195","12.671","0.0009","15.7641","0.0012","15.7646","0.0012","71.79","0.002","80.34","0.003","77.624","0.003","2904.4","0.4","100","","100","","","","","","","","see text","8","P -1","-P 1","2","","[FeZn(PDIeCy)(OTf)4]","","- C37 H53 F12 Fe N7 O12 S4 Zn -","- C36.999 H53 F11.997 Fe N7 O11.997 S3.999 Zn -","- C73.998 H106 F23.994 Fe2 N14 O23.994 S7.998 Zn2 -","2","1","","Hofmann, Andreas J.; Niederegger, Lukas; Hess, Corinna R.","Neighbouring effects on catalytic epoxidation by Fe-cyclam in M<sub>2</sub>-PDIxCy complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17642","17648","10.1039/d0dt03758c","","x-ray","0.71073","MoKα","","0.0911","0.0803","","","0.2034","0.2129","","","","","","1.034","","","","has coordinates,has disorder","260108","2020-12-23","03:06:05",""
"7706196","10.2639","0.0003","13.4056","0.0003","13.9884","0.0004","90","","110.553","0.001","90","","1802.2","0.08","200","","200","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H23 Cl Ir N O -","- C19 H23 Cl Ir N O -","- C76 H92 Cl4 Ir4 N4 O4 -","4","1","","Ramos, Robin; Zimbron, Jérémy M; Thorimbert, Serge; Chamoreau, Lise-Marie; Munier, Annie; Botuha, Candice; Karaiskou, Anthi; Salmain, Michèle; Sobczak-Thépot, Joëlle","Insights into the antiproliferative mechanism of (C^N)-chelated half-sandwich iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17635","17641","10.1039/d0dt03414b","","","0.71073","MoKα","","0.0161","0.0149","","","0.0337","0.0341","","","","","","1.043","","","","has coordinates","260109","2020-12-23","03:06:40",""
"7706245","9.0775","0.0005","4.9444","0.0002","15.2017","0.001","90","","106.912","0.006","90","","652.79","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- K0.8 Mo1.6 O6.4 U0.4 -","- K0.8 Mo1.6 O6.4 U0.4 -","- K4 Mo8 O32 U2 -","5","1.25","","Murphy, Gabriel L.; Kegler, Philip; Klinkenberg, Martina; Wang, Shuao; Alekseev, Evgeny V.","Extreme condition high temperature and high pressure studies of the K-U-Mo-O system.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15843","15853","10.1039/d0dt03367g","","","0.71073","MoKα","","0.0518","0.0334","","","0.0712","0.0784","","","","","","1.022","","","","has coordinates","260508","2021-01-05","07:18:37",""
"7706246","8.0728","0.0005","11.0224","0.0007","11.4744","0.0006","111.118","0.006","102.845","0.005","104.506","0.006","865.09","0.11","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- K5 Mo O37 U10 -","- K5 Mo O37 U10 -","- K5 Mo O37 U10 -","1","1","","Murphy, Gabriel L.; Kegler, Philip; Klinkenberg, Martina; Wang, Shuao; Alekseev, Evgeny V.","Extreme condition high temperature and high pressure studies of the K-U-Mo-O system.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15843","15853","10.1039/d0dt03367g","","","0.71073","MoKα","","0.0443","0.034","","","0.0761","0.0827","","","","","","1.131","","","","has coordinates","260508","2021-01-05","07:18:47",""
"7706247","21.3977","0.0011","8.8037","0.0003","16.4131","0.0009","90","","129.973","0.009","90","","2369.5","0.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H30 N10 O2 -","- C20 H30 N10 O2 -","- C80 H120 N40 O8 -","4","1","","Murphy, Gabriel L.; Kegler, Philip; Klinkenberg, Martina; Wang, Shuao; Alekseev, Evgeny V.","Extreme condition high temperature and high pressure studies of the K-U-Mo-O system.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15843","15853","10.1039/d0dt03367g","","","0.71073","MoKα","","0.0744","0.0601","","","0.187","0.1979","","","","","","1.239","","","","has coordinates,has disorder","260508","2021-01-05","07:18:50",""
"7706248","13.9807","0.0012","10.7427","0.0009","25.517","0.002","90","","90","","90","","3832.4","0.5","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- K3 Mo7 O42 U6 -","- K2.98 Mo7 O42 U6 -","- K11.92 Mo28 O168 U24 -","4","0.5","","Murphy, Gabriel L.; Kegler, Philip; Klinkenberg, Martina; Wang, Shuao; Alekseev, Evgeny V.","Extreme condition high temperature and high pressure studies of the K-U-Mo-O system.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15843","15853","10.1039/d0dt03367g","","","0.71073","MoKα","","0.0973","0.0511","","","0.0776","0.0915","","","","","","1.028","","","","has coordinates","260508","2021-01-05","07:18:54",""
"7706249","18.412","0.003","18.412","0.003","13.362","0.003","90","","90","","120","","3922.9","1.3","150","2","150","2","","","","","","","","6","P 64","P 64","172","","","","- C52 H32 Cl6 Co2 N10 O4 -","- C52 H32 Cl6 Co2 N10 O4 -","- C156 H96 Cl18 Co6 N30 O12 -","3","0.5","","Papanikolaou, Michael G.; Elliott, Alexander; McAllister, James; Gallos, John K.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.; Sproules, Stephen; Miras, Haralampos N.","Electrocatalytic hydrogen production by dinuclear cobalt(II) compounds containing redox-active diamidate ligands: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15718","15730","10.1039/d0dt02617d","","","0.71073","MoKα","","0.086","0.0431","","","0.0679","0.0766","","","","","","0.804","","","","has coordinates","260509","2021-01-05","07:21:14",""
"7706250","21.807","0.007","12.592","0.004","18.006","0.005","90","","103.952","0.004","90","","4798","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46 Co2 N10 O4 -","- C58 H46 Co2 N10 O4 -","- C232 H184 Co8 N40 O16 -","4","1","","Papanikolaou, Michael G.; Elliott, Alexander; McAllister, James; Gallos, John K.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.; Sproules, Stephen; Miras, Haralampos N.","Electrocatalytic hydrogen production by dinuclear cobalt(II) compounds containing redox-active diamidate ligands: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15718","15730","10.1039/d0dt02617d","","","0.71073","MoKα","","0.0885","0.0562","","","0.1278","0.1427","","","","","","1.054","","","","has coordinates,has disorder","260509","2021-01-05","07:21:15",""
"7706251","14.565","0.0005","13.4841","0.0005","27.7621","0.0009","90","","103.074","0.003","90","","5311","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C53 H36 Cl6 Co2 F6 N10 O4 Sb -","- C53 H36 Cl6 Co2 F6 N10 O4 Sb -","- C212 H144 Cl24 Co8 F24 N40 O16 Sb4 -","4","1","","Papanikolaou, Michael G.; Elliott, Alexander; McAllister, James; Gallos, John K.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.; Sproules, Stephen; Miras, Haralampos N.","Electrocatalytic hydrogen production by dinuclear cobalt(II) compounds containing redox-active diamidate ligands: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15718","15730","10.1039/d0dt02617d","","","0.71073","MoKα","","0.0457","0.036","","","0.0851","0.0908","","","","","","1.059","","","","has coordinates","260509","2021-01-05","07:21:15",""
"7706252","14.7291","0.0003","17.3069","0.0005","28.5952","0.0005","94.357","0.002","98.039","0.002","115.043","0.002","6464.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C127.5 H120 Cl7 Co4 F12 N20 O11 Sb2 -","- C127.41 H119.82 Cl6.82 Co4 F11.91 N20 O11 Sb2 -","- C254.82 H239.64 Cl13.64 Co8 F23.82 N40 O22 Sb4 -","2","1","","Papanikolaou, Michael G.; Elliott, Alexander; McAllister, James; Gallos, John K.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.; Sproules, Stephen; Miras, Haralampos N.","Electrocatalytic hydrogen production by dinuclear cobalt(II) compounds containing redox-active diamidate ligands: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15718","15730","10.1039/d0dt02617d","","","0.71073","MoKα","","0.1098","0.0825","","","0.1966","0.2129","","","","","","1.102","","","","has coordinates","260509","2021-01-05","07:21:15",""
"7706253","9.0638","0.0003","9.0638","0.0003","22.3036","0.0009","90","","90","","120","","1586.81","0.1","100","2","100","2","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C21 H22 N6 -","- C21 H22 N6 -","- C63 H66 N18 -","3","0.5","","Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk","CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15758","15768","10.1039/d0dt02847a","","","0.71073","MoKα","","0.068","0.054","","","0.0994","0.1038","","","","","","1.13","","","","has coordinates","260510","2021-01-05","07:22:43",""
"7706254","10.758","0.0003","10.9296","0.0003","11.462","0.0004","67.799","0.001","72.26","0.001","65.898","0.001","1120.83","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Cl2 N2 O6 -","- C22 H24 Cl2 N2 O6 -","- C44 H48 Cl4 N4 O12 -","2","1","","Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk","CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15758","15768","10.1039/d0dt02847a","","","0.71073","MoKα","","0.0597","0.0389","","","0.078","0.0856","","","","","","1.04","","","","has coordinates","260510","2021-01-05","07:22:44",""
"7706255","17.344","0.003","17.344","0.003","8.807","0.0015","90","","90","","120","","2294.3","0.7","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C27 H34 Cl2 Mn2 N8 O2 -","- C27 H34 Cl2 Mn2 N8 O2 -","- C81 H102 Cl6 Mn6 N24 O6 -","3","0.5","","Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk","CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15758","15768","10.1039/d0dt02847a","","","0.8104","synchrotron","","0.1607","0.0999","","","0.254","0.3084","","","","","","1.003","","","","has coordinates","295947","2024-11-15","22:25:06",""
"7706256","9.673","0.0005","10.5884","0.0005","39.5971","0.0019","90","","90","","90","","4055.6","0.3","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C43 H60 O6 -","- C43 H60 O6 -","- C172 H240 O24 -","4","1","","Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk","CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15758","15768","10.1039/d0dt02847a","","","0.71073","MoKα","","0.1086","0.0624","","","0.1104","0.1241","","","","","","1.1","","","","has coordinates","260510","2021-01-05","07:22:46",""
"7706257","9.7978","0.0003","12.4501","0.0004","7.9839","0.0003","90","","90","","90","","973.9","0.06","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H22 N2 O6 -","- C21 H22 N2 O6 -","- C42 H44 N4 O12 -","2","0.5","","Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk","CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15758","15768","10.1039/d0dt02847a","","","1.54178","CuKα","","0.0328","0.031","","","0.0783","0.0796","","","","","","1.089","","","","has coordinates","260510","2021-01-05","07:22:46",""
"7706258","13.1248","0.0002","13.1248","0.0002","14.3338","0.0002","90","","90","","90","","2469.15","0.06","100","0.1","100","0.1","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C26 H24 Cl2 Co Fe N6 O0.09 -","- C26 H24 Cl2 Co Fe N6 O0.092 -","- C104 H96 Cl8 Co4 Fe4 N24 O0.368 -","4","0.5","","Tupolova, Yulia P.; Shcherbakov, Igor N.; Popov, Leonid D.; Morgunov, Roman B.; Korchagin, Denis V.; Lebedev, Vladimir E.; Palii, Andrew V.; Aldoshin, Sergey M.","Field-induced SIM behaviour of a Co(II) complex with a 1,1'-diacetylferrocene-derived ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15592","15596","10.1039/d0dt02747b","","","0.7107","MoKα","","0.0298","0.0258","","","0.0598","0.0624","","","","","","1.061","","","","has coordinates","260511","2021-01-05","07:23:45",""
"7706259","19.6766","0.0016","10.0026","0.001","24.018","0.002","90","","92.308","0.004","90","","4723.3","0.7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[((1-benzyl-2-methyl-3-(oxo-κO)-pyridine-4(1H)- thionato-κS)(η6-p-cymene) ruthenium(II)) iodide]","","- C47 H56 I2 N2 O3 Ru2 S2 -","- C47 H56 I2 N2 O3 Ru2 S2 -","- C188 H224 I8 N8 O12 Ru8 S8 -","4","1","","Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15693","15711","10.1039/d0dt03165h","","x-ray","0.71073","MoKα","","0.0815","0.0462","","","0.0808","0.0965","","","","","","0.993","","","","has coordinates","260512","2021-01-05","07:26:27",""
"7706260","10.107","0.002","11.107","0.002","12.096","0.002","90","","108.775","0.008","90","","1285.6","0.4","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","[(Thioatocarbonyldiamine-κS)(1-benzyl-2-methyl-3-oxo-κO-pyridine-4(1H)- thionato-κS)](η6-p-cymene)ruthenium(II)] chloride","","- C24 H30 Cl N3 O Ru S2 -","- C24 H30 Cl N3 O Ru S2 -","- C48 H60 Cl2 N6 O2 Ru2 S4 -","2","1","","Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15693","15711","10.1039/d0dt03165h","","x-ray","0.71073","MoKα","","0.0671","0.0649","","","0.1821","0.1833","","","","","","1.171","","","","has coordinates","260512","2021-01-05","07:26:28",""
"7706261","9.5074","0.0002","10.0971","0.0003","13.5952","0.0004","74.306","0.0009","77.5332","0.0009","87.8246","0.0011","1226.53","0.06","100","","100","","","","","","","","","8","P -1","-P 1","2","","[(1-Methyl-1H-imidazole-κN3)(1,2-dimethyl-3-oxo-κO-pyridine-4(1H)- thionato-κS)(η6-p-cymene)ruthenium(II)] hexafluorophosphate","","- C21 H28 F6 N3 O P Ru S -","- C21 H28 F6 N3 O P Ru S -","- C42 H56 F12 N6 O2 P2 Ru2 S2 -","2","1","","Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15693","15711","10.1039/d0dt03165h","","x-ray","0.71073","MoKα","","0.0455","0.0442","","","0.1079","0.1089","","","","","","1.029","","","","has coordinates,has disorder","260512","2021-01-05","07:26:28",""
"7706262","8.8476","0.0005","11.4425","0.0006","13.8462","0.0007","82.475","0.002","79.907","0.002","88.353","0.002","1368.17","0.13","100","","100","","","","","","","","","8","P -1","-P 1","2","","[(1,3,5-Triaza-7-phosphaadamantane-κP)(1,2-Dimethyl-3-oxo-κO-pyridine- 4(1H)-thionato-κS)(η6-p-cymene)ruhtenium(II)] hexafluorophosphate","","- C23 H34 F6 N4 O P2 Ru S -","- C23 H34 F6 N4 O P2 Ru S -","- C46 H68 F12 N8 O2 P4 Ru2 S2 -","2","1","","Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15693","15711","10.1039/d0dt03165h","","x-ray","1.54178","CuKα","","0.0283","0.0259","","","0.0655","0.0684","","","","","","1.058","","","","has coordinates,has disorder","260512","2021-01-05","07:26:29",""
"7706263","9.8382","0.0003","12.2093","0.0004","14.1367","0.0005","67.1738","0.0011","80.8485","0.0012","68.3017","0.0011","1453.94","0.08","100","","100","","","","","","","","","8","P -1","-P 1","2","","[(1-Methyl-1H-imidazole-κN3)(1-benzyl-2-methyl-3-oxo-κO-pyridine-4(1H)- thionato-κS)(η5-1,2,3,4,5-pentamethylcyclopentadienyl)rhodium(III)] hexafluorophosphate","","- C27 H33 F6 N3 O P Rh S -","- C27 H33 F6 N3 O P Rh S -","- C54 H66 F12 N6 O2 P2 Rh2 S2 -","2","1","","Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15693","15711","10.1039/d0dt03165h","","x-ray","0.71073","MoKα","","0.0354","0.0278","","","0.0517","0.0565","","","","","","1.038","","","","has coordinates","260512","2021-01-05","07:26:29",""
"7706264","10.3415","0.0003","11.893","0.0003","13.3257","0.0004","67.105","0.001","88.028","0.001","76.623","0.001","1466.04","0.07","200","","200","","","","","","","","","8","P -1","-P 1","2","","[(1-Methyl-1H-imidazole-κN3)(1-benzyl-2-methyl-3-oxo-κO-pyridine-4(1H)- thionato-κS)(η6-p-cymene)ruhtenium(II)] hexafluorophosphate","","- C27 H32 F6 N3 O P Ru S -","- C27 H32 F6 N3 O P Ru S -","- C54 H64 F12 N6 O2 P2 Ru2 S2 -","2","1","","Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15693","15711","10.1039/d0dt03165h","","x-ray","0.71073","MoKα","","0.0439","0.0374","","","0.0927","0.0975","","","","","","1.099","","","","has coordinates","260512","2021-01-05","07:26:29",""
"7706265","9.802","0.0005","12.3228","0.0006","13.9774","0.0007","68.0585","0.0016","81.3239","0.0017","69.4402","0.0017","1465.89","0.13","150","","150","","","","","","","","","8","P -1","-P 1","2","","[(1-Methyl-1H-imidazole-κN3)(1-benzyl-2-methyl-3-oxo-κO-pyridine-4(1H)- thionato-κS)(η5-1,2,3,4,5-pentamethylcyclopentadienyl)iridium(III)] hexafluorophosphate","","- C27 H33 F6 Ir N3 O P S -","- C27 H33 F6 Ir N3 O P S -","- C54 H66 F12 Ir2 N6 O2 P2 S2 -","2","1","","Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15693","15711","10.1039/d0dt03165h","","x-ray","0.71073","MoKα","","0.0395","0.0306","","","0.0591","0.063","","","","","","1.085","","","","has coordinates","260512","2021-01-05","07:26:31",""
"7706266","9.4865","0.0004","13.5259","0.0008","13.573","0.0008","68.784","0.002","84.539","0.003","78.2","0.003","1588.82","0.15","120","","120","","","","","","","","","8","P -1","-P 1","2","","[(1,3,5-Triaza-7-phosphaadamantane-κP)(1-benzyl-2-methyl-3-oxo-κO-pyridine- 4(1H)-thionato-κS)(η5-1,2,3,4,5-pentamethylcyclopentadienyl)rhodium(III)] hexafluorophosphate","","- C29 H39 F6 N4 O P2 Rh S -","- C29 H39 F6 N4 O P2 Rh S -","- C58 H78 F12 N8 O2 P4 Rh2 S2 -","2","1","","Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15693","15711","10.1039/d0dt03165h","","x-ray","0.71073","MoKα","","0.0495","0.0373","","","0.0793","0.0866","","","","","","1.053","","","","has coordinates","260512","2021-01-05","07:26:33",""
"7706267","8.7282","0.0005","16.3364","0.001","17.8947","0.0011","93.913","0.002","97.756","0.002","90.927","0.003","2521.5","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","[(1-Methyl-1H-imidazole-κN3)(1,2-dimethyl-3-oxo-κO-pyridine-4(1H)-thionato-κS)(η5-1,2,3,4,5-pentamethylcyclopentadienyl)rhodium(III)] hexafluorophosphate","","- C21 H29 F6 N3 O P Rh S -","- C21 H29 F6 N3 O P Rh S -","- C84 H116 F24 N12 O4 P4 Rh4 S4 -","4","2","","Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15693","15711","10.1039/d0dt03165h","","x-ray","0.71073","MoKα","","0.0511","0.0429","","","0.1029","0.1097","","","","","","1.036","","","","has coordinates","260512","2021-01-05","07:26:33",""
"7706268","21.07","0.003","9.9943","0.0014","31.846","0.004","90","","99.318","0.005","90","","6617.6","1.6","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[(1,3,5-Triaza-7-phosphaadamantane-κP)(1,2-Dimethyl-3-oxo-κO-pyridine-4(1H)-thionato-κS)(η5-1,2,3,4,5-pentamethylcyclopentadienyl)rhodium(III)]hexafluorophosphate","","- C23 H34.5 F6 N4 O P2 Rh S -","- C23 H34.5 F6 N4 O P2 Rh S -","- C184 H276 F48 N32 O8 P16 Rh8 S8 -","8","2","","Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15693","15711","10.1039/d0dt03165h","","x-ray","0.71073","MoKα","","0.1402","0.0732","","","0.1667","0.2061","","","","","","0.999","","","","has coordinates,has disorder","260512","2021-01-05","07:26:33",""
"7706269","12.3099","0.0003","12.4123","0.0004","14.4636","0.0004","65.2024","0.0011","70.4638","0.0011","77.004","0.0011","1881.42","0.09","120","","120","","","","","","","","","9","P -1","-P 1","2","","[(1,3,5-Triaza-7-phosphaadamantane-κP)(1-benzyl-2-methyl-3-oxo-κO-pyridine- 4(1H)-thionato-κS)(η6-p-cymene)ruthenium(II)] hexafluorophosphate","","- C31 H42 Cl4 F6 N4 O P2 Ru S -","- C31 H42 Cl4 F6 N4 O P2 Ru S -","- C62 H84 Cl8 F12 N8 O2 P4 Ru2 S2 -","2","1","","Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15693","15711","10.1039/d0dt03165h","","x-ray","0.71073","MoKα","","0.0335","0.0303","","","0.0732","0.0757","","","","","","0.997","","","","has coordinates,has disorder","260512","2021-01-05","07:26:34",""
"7706270","8.7704","0.0001","16.4092","0.0002","18.0771","0.0003","93.7892","0.0005","97.5756","0.0005","90.7492","0.0005","2572.6","0.06","300","","300","","","","","","","","","8","P -1","-P 1","2","","[(1-Methyl-1H-imidazole-κN3)(1,2-dimethyl-3-oxo-κO-pyridine-4(1H)- thionato-κS)(η5-1,2,3,4,5-pentamethylcyclopentadienyl)iridium(III)] hexafluorophosphate","","- C21 H29 F6 Ir N3 O P S -","- C21 H29 F6 Ir N3 O P S -","- C84 H116 F24 Ir4 N12 O4 P4 S4 -","4","2","","Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15693","15711","10.1039/d0dt03165h","","x-ray","0.71073","MoKα","","0.0181","0.0166","","","0.0396","0.0404","","","","","","1.053","","","","has coordinates,has disorder","260512","2021-01-05","07:26:36",""
"7706271","9.568","","9.568","","37.542","","90","","90","","120","","2976.39","","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Bi4 I6 O24 Se -","- Bi4 I6 O24 Se -","- Bi24 I36 O144 Se6 -","6","0.333333","","Mao, Fei-Fei; Hu, Jin-Yu; Li, Bing-Xuan; Wu, Hua","Bi<sub>4</sub>O(I<sub>3</sub>O<sub>10</sub>)(IO<sub>3</sub>)<sub>3</sub>(SeO<sub>4</sub>): trimeric condensation of IO<sub>4</sub><sup>3-</sup> monomers into the I<sub>3</sub>O<sub>10</sub><sup>5-</sup> polymeric anion observed in a three-component mixed-anion NLO material.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15597","15601","10.1039/d0dt03399e","","","0.71073","MoKα","","0.052","0.0464","","","0.0959","0.0997","","","","","","1.097","","","","has coordinates","260513","2021-01-05","07:28:03",""
"7706272","18.0487","0.0005","18.0487","0.0005","36.3959","0.0011","90","","90","","120","","10267.7","0.5","150","2","150","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C19 H23 Cu N3 O9 -","- C14 H6 Cu N O7 -","- C252 H108 Cu18 N18 O126 -","18","1","","Jiang, Zhenzhen; Fan, Lihui; Zhou, Ping; Xu, Tingting; Chen, Jingxian; Hu, Simin; Chen, De-Li; He, Yabing","An <i>N</i>-oxide-functionalized nanocage-based copper-tricarboxylate framework for the selective capture of C<sub>2</sub>H<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15672","15681","10.1039/d0dt03067h","","","0.71073","MoKα","","0.0263","0.0241","","","0.0669","0.0682","","","","","","1.004","","","","has coordinates","260514","2021-01-05","07:28:33",""
"7706273","10.608","0.009","17.057","0.015","10.701","0.009","90","","90.415","0.011","90","","1936","3","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H42 B F4 Mn2 N12 O6 -","- C30 H42 B F4 Mn2 N12 O6 -","- C60 H84 B2 F8 Mn4 N24 O12 -","2","1","","Lecourt, Constance; Izumi, Yuuta; Khrouz, Lhoussain; Toche, François; Chiriac, Rodica; Bélanger-Desmarais, Nicolas; Reber, Christian; Fabelo, Oscar; Inoue, Katsuya; Desroches, Cédric; Luneau, Dominique","Thermally-induced hysteretic valence tautomeric conversions in the solid state <i>via</i> two-step labile electron transfers in manganese-nitronyl nitroxide 2D-frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15646","15662","10.1039/d0dt03243c","","","0.71073","MoKa","","0.086","0.0559","","","0.1309","0.1455","","","","","","0.955","","","","has coordinates","260515","2021-01-05","07:29:28",""
"7706274","10.85","0.002","17.085","0.004","11.085","0.003","90","","94.362","0.016","90","","2048.9","0.8","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H42 F6 Mn2 N12 O6 P -","- C30 H42 F6 Mn2 N12 O6 P -","- C60 H84 F12 Mn4 N24 O12 P2 -","2","1","","Lecourt, Constance; Izumi, Yuuta; Khrouz, Lhoussain; Toche, François; Chiriac, Rodica; Bélanger-Desmarais, Nicolas; Reber, Christian; Fabelo, Oscar; Inoue, Katsuya; Desroches, Cédric; Luneau, Dominique","Thermally-induced hysteretic valence tautomeric conversions in the solid state <i>via</i> two-step labile electron transfers in manganese-nitronyl nitroxide 2D-frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15646","15662","10.1039/d0dt03243c","","","1.54178","CuKα","","0.1846","0.1227","","","0.2936","0.3399","","","","","","1.074","","","","has coordinates","260515","2021-01-05","07:29:29",""
"7706275","10.308","0.003","17.943","0.005","11.085","0.003","90","","94.077","0.003","90","","2045.1","1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H42 B F4 Mn2 N12 O6 -","- C30 H42 B F4 Mn2 N12 O6 -","- C60 H84 B2 F8 Mn4 N24 O12 -","2","1","","Lecourt, Constance; Izumi, Yuuta; Khrouz, Lhoussain; Toche, François; Chiriac, Rodica; Bélanger-Desmarais, Nicolas; Reber, Christian; Fabelo, Oscar; Inoue, Katsuya; Desroches, Cédric; Luneau, Dominique","Thermally-induced hysteretic valence tautomeric conversions in the solid state <i>via</i> two-step labile electron transfers in manganese-nitronyl nitroxide 2D-frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15646","15662","10.1039/d0dt03243c","","","0.71073","MoKa","","0.0791","0.0582","","","0.1252","0.1302","","","","","","0.866","","","","has coordinates","260515","2021-01-05","07:29:29",""
"7706276","10.532","0.002","17.537","0.004","10.786","0.002","90","","93.607","0.002","90","","1988.2","0.7","252","2","252","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H42 B F4 Mn2 N12 O6 -","- C30 H42 B F4 Mn2 N12 O6 -","- C60 H84 B2 F8 Mn4 N24 O12 -","2","1","","Lecourt, Constance; Izumi, Yuuta; Khrouz, Lhoussain; Toche, François; Chiriac, Rodica; Bélanger-Desmarais, Nicolas; Reber, Christian; Fabelo, Oscar; Inoue, Katsuya; Desroches, Cédric; Luneau, Dominique","Thermally-induced hysteretic valence tautomeric conversions in the solid state <i>via</i> two-step labile electron transfers in manganese-nitronyl nitroxide 2D-frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15646","15662","10.1039/d0dt03243c","","","0.71073","MoKα","","0.0826","0.0526","","","0.1233","0.1386","","","","","","1.013","","","","has coordinates","260515","2021-01-05","07:29:29",""
"7706277","11.629","0.002","20.973","0.004","14.17","0.003","90","","90","","90","","3456","1.2","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- Eu O22.5 U5.5 -","- Eu O22.5 U5.5 -","- Eu8 O180 U44 -","8","1","","Lu, Kimbal T.; Zhang, Yingjie; Aughterson, Robert D.; Zheng, Rongkun","Uranyl oxide hydrate frameworks with lanthanide ions.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15854","15863","10.1039/d0dt02944k","","","0.71089","silicondoublecrystalmonochromatedsynchrotron","","0.039","0.0384","","","0.1028","0.1032","","","","","","1.122","","","","has coordinates,has disorder","260516","2021-01-05","07:30:12",""
"7706278","11.624","0.002","20.972","0.004","14.181","0.003","90","","90","","90","","3457","1.2","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- Gd O22 U5.5 -","- Gd O22 U5.5 -","- Gd8 O176 U44 -","8","1","","Lu, Kimbal T.; Zhang, Yingjie; Aughterson, Robert D.; Zheng, Rongkun","Uranyl oxide hydrate frameworks with lanthanide ions.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15854","15863","10.1039/d0dt02944k","","","0.71089","silicondoublecrystalmonochromatedsynchrotron","","0.0435","0.0431","","","0.1129","0.1136","","","","","","1.094","","","","has coordinates","260516","2021-01-05","07:30:12",""
"7706279","10.923","0.0009","28.185","0.003","14.6929","0.0013","90","","90.176","0.002","90","","4523.4","0.7","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O8 Rh2 S -","- C19 H24 N2 O8 Rh2 S -","- C152 H192 N16 O64 Rh16 S8 -","8","4","","Cressy, Derek; Zavala, Cristian; Abshire, Anthony; Sheffield, William; Darko, Ampofo","Tuning Rh(II)-catalysed cyclopropanation with tethered thioether ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15779","15787","10.1039/d0dt03019h","","","0.71073","MoKα","","0.0311","0.028","","","0.064","0.066","","","","","","1.0607","","","","has coordinates","260517","2021-01-05","07:31:00",""
"7706280","12.651","0.005","14.796","0.005","18.256","0.005","81.941","0.005","84.184","0.005","74.672","0.005","3255.7","1.9","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H48 Cl4 Cu2 F6 N12 O6 S2 -","- C62 H48 Cl4 Cu2 F6 N12 O6 S2 -","- C124 H96 Cl8 Cu4 F12 N24 O12 S4 -","2","1","","Suntrup, Lisa; Beerhues, Julia; Etzold, Oliver; Sarkar, Biprajit","Copper(I) complexes bearing mesoionic carbene ligands: influencing the activity in catalytic halo-click reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15504","15510","10.1039/d0dt02023k","","","0.71069","MoKα","","0.0657","0.0483","","","0.1292","0.1459","","","","","","1.038","","","","has coordinates","260518","2021-01-05","07:31:45",""
"7706281","14.906","0.005","15.174","0.005","15.306","0.005","81.103","0.005","88.574","0.005","84.738","0.005","3406","2","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H57 Ag2 F6 N14 O7 S2 -","- C68 H57 Ag2 F6 N14 O7 S2 -","- C136 H114 Ag4 F12 N28 O14 S4 -","2","1","","Suntrup, Lisa; Beerhues, Julia; Etzold, Oliver; Sarkar, Biprajit","Copper(I) complexes bearing mesoionic carbene ligands: influencing the activity in catalytic halo-click reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15504","15510","10.1039/d0dt02023k","","","0.71069","MoKα","","0.0933","0.074","","","0.2124","0.2258","","","","","","1.131","","","","has coordinates","260518","2021-01-05","07:31:46",""
"7706282","10.3912","0.0006","13.1366","0.0007","10.9967","0.0006","90","","100.438","0.006","90","","1476.26","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H38 N10 O2 Zn2 -","- C26 H38 N10 O2 Zn2 -","- C52 H76 N20 O4 Zn4 -","2","1","","Kundu, Bidyut Kumar; Pragti, ?; Mobin, Shaikh M.; Mukhopadhyay, Suman","Studies on the influence of the nuclearity of zinc(ii) hemi-salen complexes on some pivotal biological applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15481","15503","10.1039/d0dt02941f","","","0.71073","MoKα","","0.0922","0.0691","","","0.1725","0.1935","","","","","","1.081","","","","has coordinates,has disorder","260519","2021-01-05","07:33:38",""
"7706283","15.8942","0.0002","12.7087","0.0001","22.4115","0.0002","90","","110.455","0.001","90","","4241.56","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H50 N16 O5 Zn3 -","- C30 H46 N16 O4 Zn3 -","- C120 H184 N64 O16 Zn12 -","4","1","","Kundu, Bidyut Kumar; Pragti, ?; Mobin, Shaikh M.; Mukhopadhyay, Suman","Studies on the influence of the nuclearity of zinc(ii) hemi-salen complexes on some pivotal biological applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15481","15503","10.1039/d0dt02941f","","x-ray","1.54184","CuKα","","0.0329","0.0314","","","0.0876","0.0889","","","","","","1.0445","","","","has coordinates","260519","2021-01-05","07:33:39",""
"7706284","8.6538","0.0003","11.4042","0.0004","16.5963","0.0006","91.457","0.001","97.082","0.001","102.601","0.001","1583.92","0.1","100","2","100.01","","","","","","","","","8","P -1","-P 1","2","","","","- C27 H19 B Cl F15 Fe O3 P2 -","- C27 H19 B Cl F15 Fe O3 P2 -","- C54 H38 B2 Cl2 F30 Fe2 O6 P4 -","2","1","","Tinnermann, Hendrik; Fraser, Craig; Young, Rowan D.","Zero valent iron complexes as base partners in frustrated Lewis pair chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15184","15189","10.1039/d0dt03551c","","x-ray","0.71073","MoKα","","0.1215","0.0592","","","0.0903","0.1133","","","","","","1.059","","","","has coordinates","260520","2021-01-05","07:35:00",""
"7706285","12.4374","0.0009","14.0427","0.0009","15.3107","0.001","84.826","0.002","83.992","0.003","80.351","0.003","2614.6","0.3","100","2","99.92","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H25.5 B2 F30.5 Fe O4 P2 -","- C51 H25.5 B2 F30.5 Fe O4 P2 -","- C102 H51 B4 F61 Fe2 O8 P4 -","2","1","","Tinnermann, Hendrik; Fraser, Craig; Young, Rowan D.","Zero valent iron complexes as base partners in frustrated Lewis pair chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15184","15189","10.1039/d0dt03551c","","x-ray","0.71073","MoKα","","0.0769","0.0439","","","0.0964","0.1168","","","","","","1.032","","","","has coordinates,has disorder","260520","2021-01-05","07:35:03",""
"7706286","12.5412","0.0004","13.0207","0.0004","21.9702","0.0007","90","","90.14","0.001","90","","3587.6","0.2","100","2","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 B F15 Fe O3 P2 S -","- C33 H24 B F15 Fe O3 P2 S -","- C132 H96 B4 F60 Fe4 O12 P8 S4 -","4","1","","Tinnermann, Hendrik; Fraser, Craig; Young, Rowan D.","Zero valent iron complexes as base partners in frustrated Lewis pair chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15184","15189","10.1039/d0dt03551c","","x-ray","0.71073","MoKα","","0.0604","0.037","","","0.071","0.0841","","","","","","1.083","","","","has coordinates","260520","2021-01-05","07:35:15",""
"7706287","5.9302","0.0001","20.8486","0.0004","12.2568","0.0003","90","","93.582","0.002","90","","1512.43","0.05","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Cl Cu N3 O S -","- C13 H16 Cl Cu N3 O S -","- C52 H64 Cl4 Cu4 N12 O4 S4 -","4","1","","Mandal, Arnab; Sarkar, Abani; Adhikary, Amit; Samanta, Debabrata; Das, Debasis","Structure and synthesis of copper-based Schiff base and reduced Schiff base complexes: a combined experimental and theoretical investigation of biomimetic catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15461","15472","10.1039/d0dt02784g","","","0.71073","MoKα","","0.0623","0.0389","","","0.0745","0.0844","","","","","","1.037","","","","has coordinates","260521","2021-01-05","07:36:23",""
"7706288","20.7663","0.0017","9.44","0.0007","7.581","0.0007","90","","98.352","0.006","90","","1470.4","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cl Cu N5 O -","- C12 H18 Cl Cu N5 O -","- C48 H72 Cl4 Cu4 N20 O4 -","4","1","","Mandal, Arnab; Sarkar, Abani; Adhikary, Amit; Samanta, Debabrata; Das, Debasis","Structure and synthesis of copper-based Schiff base and reduced Schiff base complexes: a combined experimental and theoretical investigation of biomimetic catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15461","15472","10.1039/d0dt02784g","","","0.71073","MoKα","","0.1433","0.0978","","","0.2835","0.3251","","","","","","1.0915","","","","has coordinates","260521","2021-01-05","07:36:23",""
"7706289","13.1","0.02","8.63","0.014","13.62","0.02","90","","97.62","0.04","90","","1526","4","290","2","290.29","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl Cu N5 O -","- C12 H16 Cl Cu N5 O -","- C48 H64 Cl4 Cu4 N20 O4 -","4","1","","Mandal, Arnab; Sarkar, Abani; Adhikary, Amit; Samanta, Debabrata; Das, Debasis","Structure and synthesis of copper-based Schiff base and reduced Schiff base complexes: a combined experimental and theoretical investigation of biomimetic catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15461","15472","10.1039/d0dt02784g","","","0.71073","MoKα","","0.1187","0.0504","","","0.1099","0.1429","","","","","","1.1214","","","","has coordinates","260521","2021-01-05","07:36:23",""
"7706290","11.1577","0.0003","15.6772","0.0003","25.97","0.0007","90","","97.025","0.002","90","","4508.61","0.19","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23.33 H18 Br4 Co N6.67 S2 -","- C23.3333 H18 Br4 Co N6.66667 S2 -","- C140 H108 Br24 Co6 N40 S12 -","6","1.5","","Jochim, Aleksej; Rams, Michał; Böhme, Michael; Ceglarska, Magdalena; Plass, Winfried; Näther, Christian","Thermodynamically metastable chain and stable layered Co(NCS)<sub>2</sub> coordination polymers: thermodynamic relations and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15310","15322","10.1039/d0dt03227a","","","0.71073","MoKα","","0.0561","0.048","","","0.1235","0.1298","","","","","","1.033","","","","has coordinates","260522","2021-01-05","07:37:44",""
"7706291","10.6039","0.0003","12.2963","0.0005","7.5145","0.0004","90","","109.444","0.003","90","","923.93","0.07","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br2 Co N4 O2 S2 -","- C12 H12 Br2 Co N4 O2 S2 -","- C24 H24 Br4 Co2 N8 O4 S4 -","2","0.5","","Jochim, Aleksej; Rams, Michał; Böhme, Michael; Ceglarska, Magdalena; Plass, Winfried; Näther, Christian","Thermodynamically metastable chain and stable layered Co(NCS)<sub>2</sub> coordination polymers: thermodynamic relations and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15310","15322","10.1039/d0dt03227a","","","0.71073","MoKα","","0.046","0.0419","","","0.104","0.1056","","","","","","1.171","","","","has coordinates","260522","2021-01-05","07:37:51",""
"7706292","8.2037","0.0003","13.7945","0.0007","18.9686","0.0008","90","","91.518","0.003","90","","2145.85","0.16","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Br2 Co N6 S2 -","- C16 H14 Br2 Co N6 S2 -","- C64 H56 Br8 Co4 N24 S8 -","4","0.5","","Jochim, Aleksej; Rams, Michał; Böhme, Michael; Ceglarska, Magdalena; Plass, Winfried; Näther, Christian","Thermodynamically metastable chain and stable layered Co(NCS)<sub>2</sub> coordination polymers: thermodynamic relations and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15310","15322","10.1039/d0dt03227a","","","0.71073","MoKα","","0.0793","0.0756","","","0.169","0.1715","","","","","","1.234","","","","has coordinates","260522","2021-01-05","07:37:53",""
"7706293","10.8822","0.0004","9.3042","0.0004","7.6492","0.0006","90","","95.274","0.004","90","","771.2","0.07","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Br2 Co N4 S2 -","- C12 H8 Br2 Co N4 S2 -","- C24 H16 Br4 Co2 N8 S4 -","2","0.5","","Jochim, Aleksej; Rams, Michał; Böhme, Michael; Ceglarska, Magdalena; Plass, Winfried; Näther, Christian","Thermodynamically metastable chain and stable layered Co(NCS)<sub>2</sub> coordination polymers: thermodynamic relations and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15310","15322","10.1039/d0dt03227a","","","0.71073","MoKα","","0.0387","0.0338","","","0.0876","0.0905","","","","","","1.08","","","","has coordinates","260522","2021-01-05","07:37:56",""
"7706294","6.8581","0.0004","7.6865","0.0005","10.2102","0.0006","73.836","0.005","80.371","0.005","79.875","0.005","504.9","0.06","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H16 Br2 Co N4 O2 S2 -","- C14 H16 Br2 Co N4 O2 S2 -","- C14 H16 Br2 Co N4 O2 S2 -","1","0.5","","Jochim, Aleksej; Rams, Michał; Böhme, Michael; Ceglarska, Magdalena; Plass, Winfried; Näther, Christian","Thermodynamically metastable chain and stable layered Co(NCS)<sub>2</sub> coordination polymers: thermodynamic relations and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15310","15322","10.1039/d0dt03227a","","","0.71073","MoKα","","0.0423","0.0335","","","0.0799","0.0828","","","","","","1.075","","","","has coordinates","260522","2021-01-05","07:37:56",""
"7706295","8.0951","0.0003","9.4346","0.0004","10.8479","0.0004","73.304","0.003","83.016","0.003","80.318","0.003","779.91","0.05","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Br2 Co N4 S2 -","- C12 H8 Br2 Co N4 S2 -","- C24 H16 Br4 Co2 N8 S4 -","2","1","","Jochim, Aleksej; Rams, Michał; Böhme, Michael; Ceglarska, Magdalena; Plass, Winfried; Näther, Christian","Thermodynamically metastable chain and stable layered Co(NCS)<sub>2</sub> coordination polymers: thermodynamic relations and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15310","15322","10.1039/d0dt03227a","","","0.71073","MoKα","","0.0403","0.0325","","","0.0817","0.085","","","","","","1.056","","","","has coordinates","260522","2021-01-05","07:37:56",""
"7706296","7.5092","0.0002","10.8694","0.0003","15.5717","0.0003","100.253","0.002","102.1","0.002","108.802","0.003","1134.27","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H19 Br Cr O6 S2 -","- C20 H19 Br Cr O6 S2 -","- C40 H38 Br2 Cr2 O12 S4 -","2","1","","Lamprecht, Zandria; Malan, Frederick P.; Fernández, Israel; Lotz, Simon; Bezuidenhout, Daniela I.","Chelated Fischer carbene complexes of annulated thiophenes: synthesis, structure and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15339","15354","10.1039/d0dt03298k","","","1.54184","CuKα","","0.0769","0.071","","","0.1827","0.1867","","","","","","1.084","","","","has coordinates","260524","2021-01-05","07:41:02",""
"7706297","7.4467","0.0004","10.7958","0.0005","12.3241","0.0006","75.914","0.001","75.794","0.002","70.56","0.001","891.44","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 O6 S2 W -","- C16 H12 O6 S2 W -","- C32 H24 O12 S4 W2 -","2","1","","Lamprecht, Zandria; Malan, Frederick P.; Fernández, Israel; Lotz, Simon; Bezuidenhout, Daniela I.","Chelated Fischer carbene complexes of annulated thiophenes: synthesis, structure and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15339","15354","10.1039/d0dt03298k","","","0.71073","MoKα","","0.0226","0.0205","","","0.0517","0.0524","","","","","","1.012","","","","has coordinates","260524","2021-01-05","07:41:02",""
"7706298","7.4276","0.0004","10.7016","0.0006","12.2391","0.0006","74.238","0.002","75.469","0.002","71.41","0.002","872.91","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cr O6 S2 -","- C16 H12 Cr O6 S2 -","- C32 H24 Cr2 O12 S4 -","2","1","","Lamprecht, Zandria; Malan, Frederick P.; Fernández, Israel; Lotz, Simon; Bezuidenhout, Daniela I.","Chelated Fischer carbene complexes of annulated thiophenes: synthesis, structure and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15339","15354","10.1039/d0dt03298k","","","0.71073","MoKα","","0.0293","0.0235","","","0.0588","0.0608","","","","","","1.042","","","","has coordinates","260524","2021-01-05","07:41:02",""
"7706299","7.1185","0.0006","9.6691","0.0008","10.7876","0.0009","92.975","0.003","96.209","0.003","103.001","0.003","717","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cr2 O12 S2 -","- C26 H20 Cr2 O12 S2 -","- C26 H20 Cr2 O12 S2 -","1","0.5","","Lamprecht, Zandria; Malan, Frederick P.; Fernández, Israel; Lotz, Simon; Bezuidenhout, Daniela I.","Chelated Fischer carbene complexes of annulated thiophenes: synthesis, structure and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15339","15354","10.1039/d0dt03298k","","","0.71073","MoKα","","0.0482","0.0278","","","0.0624","0.0667","","","","","","1.033","","","","has coordinates","260524","2021-01-05","07:41:02",""
"7706300","11.0377","0.0011","12.018","0.0011","16.5239","0.0016","69.06","0.003","74.437","0.003","77.654","0.003","1955.1","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H29 O12 S3 W2 -","- C37 H29 O12 S3 W2 -","- C74 H58 O24 S6 W4 -","2","1","","Lamprecht, Zandria; Malan, Frederick P.; Fernández, Israel; Lotz, Simon; Bezuidenhout, Daniela I.","Chelated Fischer carbene complexes of annulated thiophenes: synthesis, structure and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15339","15354","10.1039/d0dt03298k","","","0.71073","MoKα","","0.0334","0.0289","","","0.0757","0.078","","","","","","1.066","","","","has coordinates","260524","2021-01-05","07:41:02",""
"7706301","10.7421","0.0013","16.0557","0.0018","21.988","0.003","101.964","0.004","99.888","0.004","103.629","0.004","3507.1","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.85 H22.85 Cr2 O12 S3 -","- C30.991 H22.782 Cr2 O12 S3 -","- C123.964 H91.128 Cr8 O48 S12 -","4","2","","Lamprecht, Zandria; Malan, Frederick P.; Fernández, Israel; Lotz, Simon; Bezuidenhout, Daniela I.","Chelated Fischer carbene complexes of annulated thiophenes: synthesis, structure and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15339","15354","10.1039/d0dt03298k","","","0.71073","MoKα","","0.0939","0.0706","","","0.1685","0.1778","","","","","","1.122","","","","has coordinates,has disorder","260524","2021-01-05","07:41:02",""
"7706302","14.0051","0.0014","14.7298","0.0013","22.535","0.002","83.978","0.005","85.573","0.005","88.147","0.006","4608","0.7","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H47 I23 N33 O2 P Sn6 -","- C22 H47 I23 N33 O2 P Sn6 -","- C44 H94 I46 N66 O4 P2 Sn12 -","2","1","","McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip","Variable dimensionality in 'hollow' hybrid tin iodide perovskites.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15171","15174","10.1039/d0dt03449e","","","0.71075","MoKα","","0.0618","0.0593","","","0.1381","0.1392","","","","","","1.128","","","","has coordinates,has disorder","260525","2021-01-05","07:42:06",""
"7706303","6.403","0.004","14.2301","0.001","14.68","0.011","91.42","0.03","93.54","0.03","90.1","0.03","1334.6","1.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H12 I7 N9 Sn2 -","- I7 Sn2 -","- I14 Sn4 -","2","1","","McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip","Variable dimensionality in 'hollow' hybrid tin iodide perovskites.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15171","15174","10.1039/d0dt03449e","","","0.71075","MoKα","","0.2032","0.1758","","","0.4679","0.49","","","","","","1.837","","","","has coordinates","260525","2021-01-05","07:42:06",""
"7706304","16.423","0.0004","11.4174","0.0003","34.1386","0.0007","90","","102.649","0.002","90","","6245.9","0.3","297","","297","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C23 H23 Eu N4 O11 -","- C23 H23 Eu N4 O11 -","- C184 H184 Eu8 N32 O88 -","8","1","","Wang, Xiaokang; Wang, Yutong; Wang, Xia; Lu, Kebin; Jiang, Weifeng; Cui, Pei-Pei; Hao, Hongguo; Dai, Fangna","Two series of Ln-MOFs by solvent induced self-assembly demonstrating the rapid selective sensing of Mg<sup>2+</sup> and Fe<sup>3+</sup> cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15473","15480","10.1039/d0dt03264f","","x-ray","1.54184","CuKα","","0.0469","0.0405","","","0.1094","0.114","","","","","","1.059","","","","has coordinates,has disorder","260526","2021-01-05","07:43:11",""
"7706305","10.8561","0.0005","14.9304","0.0007","19.0399","0.0009","74.9102","0.0004","79.6702","0.0004","80.0399","0.0004","2905.4","0.2","271.2","0.1","271.2","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C102 H67 Dy4 N9 O47 -","- C102 H67 Dy4 N9 O47 -","- C102 H67 Dy4 N9 O47 -","1","0.5","","Wang, Xiaokang; Wang, Yutong; Wang, Xia; Lu, Kebin; Jiang, Weifeng; Cui, Pei-Pei; Hao, Hongguo; Dai, Fangna","Two series of Ln-MOFs by solvent induced self-assembly demonstrating the rapid selective sensing of Mg<sup>2+</sup> and Fe<sup>3+</sup> cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15473","15480","10.1039/d0dt03264f","","x-ray","1.54184","CuKα","","0.0896","0.0626","","","0.1685","0.1899","","","","","","1.054","","","","has coordinates,has disorder","260526","2021-01-05","07:43:12",""
"7706306","16.5848","0.0003","11.528","0.0003","33.9909","0.0007","90","","102.198","0.0018","90","","6352","0.2","297","","297","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C23 H23 N4 Nd O11 -","- C23 H23 N4 Nd O11 -","- C184 H184 N32 Nd8 O88 -","8","1","","Wang, Xiaokang; Wang, Yutong; Wang, Xia; Lu, Kebin; Jiang, Weifeng; Cui, Pei-Pei; Hao, Hongguo; Dai, Fangna","Two series of Ln-MOFs by solvent induced self-assembly demonstrating the rapid selective sensing of Mg<sup>2+</sup> and Fe<sup>3+</sup> cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15473","15480","10.1039/d0dt03264f","","x-ray","1.54184","CuKα","","0.079","0.0728","","","0.2117","0.2228","","","","","","1.056","","","","has coordinates,has disorder","260526","2021-01-05","07:43:12",""
"7706307","10.951","0.0005","14.931","0.0009","19.1539","0.0012","74.153","0.005","79.198","0.005","80.098","0.005","2935.2","0.3","278.76","0.1","278.76","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C102 H67 N9 O47 Sm4 -","- C102 H67 N9 O47 Sm4 -","- C102 H67 N9 O47 Sm4 -","1","0.5","","Wang, Xiaokang; Wang, Yutong; Wang, Xia; Lu, Kebin; Jiang, Weifeng; Cui, Pei-Pei; Hao, Hongguo; Dai, Fangna","Two series of Ln-MOFs by solvent induced self-assembly demonstrating the rapid selective sensing of Mg<sup>2+</sup> and Fe<sup>3+</sup> cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15473","15480","10.1039/d0dt03264f","","x-ray","1.54184","CuKα","","0.0742","0.0609","","","0.1619","0.1736","","","","","","1.041","","","","has coordinates,has disorder","260526","2021-01-05","07:43:12",""
"7706308","10.9059","0.0005","15.0573","0.0012","19.0395","0.0006","73.965","0.005","79.657","0.003","80.859","0.005","2936.3","0.3","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C102 H65 Eu4 N9 O46.5 -","- C102 H65 Eu4 N9 O46.5 -","- C102 H65 Eu4 N9 O46.5 -","1","0.5","","Wang, Xiaokang; Wang, Yutong; Wang, Xia; Lu, Kebin; Jiang, Weifeng; Cui, Pei-Pei; Hao, Hongguo; Dai, Fangna","Two series of Ln-MOFs by solvent induced self-assembly demonstrating the rapid selective sensing of Mg<sup>2+</sup> and Fe<sup>3+</sup> cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15473","15480","10.1039/d0dt03264f","","x-ray","1.54184","CuKα","","0.1116","0.0838","","","0.2267","0.2575","","","","","","1.039","","","","has coordinates,has disorder","260526","2021-01-05","07:43:12",""
"7706309","12.6634","0.0009","15.103","0.0009","19.1877","0.0012","93.198","0.005","97.777","0.006","103.745","0.006","3517.1","0.4","130","","130","","","","","","","","","10","P -1","-P 1","2","","","","- C70 H24 Au Cl0 F33 Fe3 N3 O3 P3 S -","- C70 H24 Au F33 Fe3 N3 O3 P3 S -","- C140 H48 Au2 F66 Fe6 N6 O6 P6 S2 -","2","1","","Straube, Axel; Coburger, Peter; Michak, Marvin; Ringenberg, Mark R.; Hey-Hawkins, Evamarie","The core of the matter - arene substitution determines the coordination and catalytic behaviour of tris(1-phosphanyl-1'-ferrocenylene)arene gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16667","16682","10.1039/d0dt02743j","","","0.71073","MoKα","","0.2352","0.0987","","","0.1491","0.1973","","","","","","0.978","","","","has coordinates","260527","2021-01-05","07:48:27",""
"7706310","12.7215","0.0007","15.1519","0.0009","19.1988","0.0013","93.368","0.005","98.006","0.005","103.392","0.005","3549","0.4","130","","130","","","","","","","","","10","P -1","-P 1","2","","","","- C71 H25.75 Ag Cl F33 Fe3 N3 O3 P3 S -","- C71 H26 Ag Cl F33 Fe3 N3 O3 P3 S -","- C142 H52 Ag2 Cl2 F66 Fe6 N6 O6 P6 S2 -","2","1","","Straube, Axel; Coburger, Peter; Michak, Marvin; Ringenberg, Mark R.; Hey-Hawkins, Evamarie","The core of the matter - arene substitution determines the coordination and catalytic behaviour of tris(1-phosphanyl-1'-ferrocenylene)arene gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16667","16682","10.1039/d0dt02743j","","","0.71073","MoKα","","0.2439","0.1018","","","0.1684","0.2266","","","","","","1.011","","","","has coordinates,has disorder","260527","2021-01-05","07:48:28",""
"7706311","23.1998","0.0004","16.4337","0.0002","23.6527","0.0003","90","","107.834","0.002","90","","8584.5","0.2","130","","130","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C93 H97 Au F3 Fe3 O8 P3 S -","- C93 H97 Au F3 Fe3 O8 P3 S -","- C372 H388 Au4 F12 Fe12 O32 P12 S4 -","4","1","","Straube, Axel; Coburger, Peter; Michak, Marvin; Ringenberg, Mark R.; Hey-Hawkins, Evamarie","The core of the matter - arene substitution determines the coordination and catalytic behaviour of tris(1-phosphanyl-1'-ferrocenylene)arene gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16667","16682","10.1039/d0dt02743j","","","0.71073","MoKα","","0.0743","0.0397","","","0.0788","0.0922","","","","","","0.991","","","","has coordinates","260527","2021-01-05","07:48:28",""
"7706312","12.4778","0.0002","23.4172","0.0006","27.2317","0.0007","70.125","0.002","84.26","0.002","89.076","0.002","7444.1","0.3","130","","130","","","","","","","","","10","P -1","-P 1","2","","","","- C156.5 H127.5 Au3 Cl0 F3 Fe6 N6 O3 P6 S -","- C156.5 H127.5 Au3 F3 Fe6 N6 O3 P6 S -","- C313 H255 Au6 F6 Fe12 N12 O6 P12 S2 -","2","1","","Straube, Axel; Coburger, Peter; Michak, Marvin; Ringenberg, Mark R.; Hey-Hawkins, Evamarie","The core of the matter - arene substitution determines the coordination and catalytic behaviour of tris(1-phosphanyl-1'-ferrocenylene)arene gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16667","16682","10.1039/d0dt02743j","","","0.71073","MoKα","","0.1285","0.076","","","0.1621","0.1861","","","","","","1.023","","","","has coordinates,has disorder","260527","2021-01-05","07:48:28",""
"7706313","14.1825","0.0002","19.1612","0.0003","31.3978","0.0006","80.713","0.002","84.878","0.001","85.819","0.001","8372.1","0.2","130","","130","","","","","","","","","8","P -1","-P 1","2","","","","- C147 H108 Au3 F15 Fe6 O9 P6 S3 -","- C147 H108 Au3 F15 Fe6 O9 P6 S3 -","- C294 H216 Au6 F30 Fe12 O18 P12 S6 -","2","1","","Straube, Axel; Coburger, Peter; Michak, Marvin; Ringenberg, Mark R.; Hey-Hawkins, Evamarie","The core of the matter - arene substitution determines the coordination and catalytic behaviour of tris(1-phosphanyl-1'-ferrocenylene)arene gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16667","16682","10.1039/d0dt02743j","","","0.71073","MoKα","","0.0665","0.0436","","","0.0905","0.097","","","","","","1.049","","","","has coordinates,has disorder","260527","2021-01-05","07:48:28",""
"7706314","12.6182","0.0002","23.5315","0.0004","27.2516","0.0007","69.34","0.002","83.591","0.002","88.26","0.001","7523.6","0.3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C153 H122 Au3 F6 Fe6 N0 O6 P6 S2 -","- C151 H122 Au3 Fe6 P6 -","- C302 H244 Au6 Fe12 P12 -","2","1","","Straube, Axel; Coburger, Peter; Michak, Marvin; Ringenberg, Mark R.; Hey-Hawkins, Evamarie","The core of the matter - arene substitution determines the coordination and catalytic behaviour of tris(1-phosphanyl-1'-ferrocenylene)arene gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16667","16682","10.1039/d0dt02743j","","","0.71073","MoKα","","0.1062","0.059","","","0.1168","0.1341","","","","","","1.003","","","","has coordinates","260527","2021-01-05","07:48:28",""
"8000395","7.8696","0.0003","7.664","0.0002","22.6439","0.0007","90","","90","","90","","1365.71","0.08","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H12 Br4 Cd F4 N2 -","- C4 H12 Br4 Cd F4 N2 -","- C16 H48 Br16 Cd4 F16 N8 -","4","0.5","","Luo, Binbin; Liang, Dehai; Sun, Shanshan; Xiao, Yonghong; Lian, Xin; Li, Xianli; Li, Ming-De; Huang, Xiao-Chun; Zhang, Jin Z.","Breaking Forbidden Transitions for Emission of Self-Trapped Excitons in Two Dimensional (F<sub>2</sub>CHCH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>CdBr<sub>4</sub> Perovskite through Pb Alloying.","The journal of physical chemistry letters","2020","11","1","199","205","10.1021/acs.jpclett.9b03213","","x-ray","1.54184","CuKα","","0.0383","0.0373","","","0.1067","0.108","","","","","","1.092","","","","has coordinates","246583","2020-10-21","18:00:00",""
"8000396","7.54153","0.00019","12.0777","0.0004","45.1161","0.0016","90","","90","","90","","4109.4","0.2","295.65","0.1","295.65","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H44 Cu4 I4 N4 -","- C32 H44 Cu4 I4 N4 -","- C128 H176 Cu16 I16 N16 -","4","1","","Yao, Li; Niu, Guangda; Li, Junze; Gao, Liang; Luo, Xufeng; Xia, Bing; Liu, Yuhao; Du, Peipei; Li, Dehui; Chen, Chao; Zheng, Youxuan; Xiao, Zewen; Tang, Jiang","Circularly Polarized Luminescence from Chiral Tetranuclear Copper(I) Iodide Clusters.","The journal of physical chemistry letters","2020","","","1255","1260","10.1021/acs.jpclett.9b03478","","x-ray","1.54184","CuKα","","0.0551","0.0418","","","0.0992","0.108","","","","","","1.016","","","","has coordinates","247448","2020-10-21","18:00:00",""
"8000397","7.54722","0.00004","12.06809","0.00005","45.0822","0.0002","90","","90","","90","","4106.11","0.03","294.7","0.2","294.7","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H44 Cu4 I4 N4 -","- C32 H44 Cu4 I4 N4 -","- C128 H176 Cu16 I16 N16 -","4","1","","Yao, Li; Niu, Guangda; Li, Junze; Gao, Liang; Luo, Xufeng; Xia, Bing; Liu, Yuhao; Du, Peipei; Li, Dehui; Chen, Chao; Zheng, Youxuan; Xiao, Zewen; Tang, Jiang","Circularly Polarized Luminescence from Chiral Tetranuclear Copper(I) Iodide Clusters.","The journal of physical chemistry letters","2020","","","1255","1260","10.1021/acs.jpclett.9b03478","","x-ray","1.54178","CuKα","","0.0298","0.0295","","","0.0738","0.074","","","","","","1.095","","","","has coordinates","247449","2020-10-21","18:00:00",""
"8000398","7.5502","0.0001","15.2672","0.0001","30.9195","0.00007","80.2982","0.0007","89.4414","0.0007","87.9701","0.0007","3510.9","0.05","50","","50","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C160 H80 Cl16 N16 O8 S16 -","4","2","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","1","synchrotron","","0.053","0.0484","","","0.1494","0.1526","","","","","","1.106","","","","has coordinates","247870","2020-10-21","18:00:00",""
"8000399","7.1738","0.0001","7.6722","0.0001","21.6585","0.0007","96.19","0.0007","98.569","0.0007","92.3536","0.0007","1169.9","0.04","50","","50","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H24 Cl12 O6 S4 -","- C48 H24 Cl12 O6 S4 -","- C48 H24 Cl12 O6 S4 -","1","0.5","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","1","synchrotron","","0.0613","0.0561","","","0.1718","0.1769","","","","","","1.125","","","","has coordinates","247870","2020-10-21","18:00:00",""
"8000400","7.6289","0.0004","7.701","0.0004","30.698","0.0017","85.794","0.0008","89.5306","0.0009","88.5438","0.0009","1798.04","0.17","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C80 H40 Cl8 N8 O4 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.052","0.0411","","","0.1024","0.1089","","","","","","1.053","","","","has coordinates","247870","2020-10-21","18:00:00",""
"8000401","7.6555","0.0005","7.6969","0.0005","15.9629","0.001","98.1455","0.001","93.3158","0.0009","92.2872","0.001","928.44","0.1","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H16 Cl8 O4 S4 -","- C38 H16 Cl8 O4 S4 -","- C38 H16 Cl8 O4 S4 -","1","0.5","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0359","0.0298","","","0.0807","0.0859","","","","","","1.032","","","","has coordinates","247870","2020-10-21","18:00:00",""
"8000402","7.5809","0.0006","15.1973","0.0012","17.0179","0.0014","67.017","0.001","82.633","0.001","87.047","0.001","1790.1","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H16 Cl8 O4 S4 -","- C38 H16 Cl8 O4 S4 -","- C76 H32 Cl16 O8 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0315","0.0246","","","0.0669","0.0709","","","","","","1.046","","","","has coordinates","247870","2020-10-21","18:00:00",""
"8000403","7.3358","0.0008","7.7383","0.0008","21.822","0.002","96.2006","0.0016","98.4849","0.0017","93.0166","0.0017","1215.1","0.2","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H24 Cl12 O6 S4 -","- C48 H24 Cl12 O6 S4 -","- C48 H24 Cl12 O6 S4 -","1","0.5","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0383","0.0326","","","0.0871","0.0917","","","","","","1.027","","","","has coordinates","247870","2020-10-21","18:00:00",""
"8000404","7.5963","0.0004","7.6826","0.0004","30.6464","0.0017","85.5932","0.0008","89.6875","0.0009","88.448","0.0008","1782.55","0.16","250","","250","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C80 H40 Cl8 N8 O4 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0439","0.0375","","","0.0903","0.094","","","","","","1.068","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000405","7.5923","0.0004","7.6803","0.0004","30.6429","0.0017","85.5655","0.0008","89.7179","0.0009","88.4239","0.0008","1780.79","0.16","240","","240","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C80 H40 Cl8 N8 O4 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0424","0.0362","","","0.0877","0.0912","","","","","","1.077","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000406","7.5852","0.0005","7.6749","0.0005","30.624","0.0018","85.5563","0.0009","89.7552","0.001","88.3859","0.0009","1776.7","0.2","230","","230","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C80 H40 Cl8 N8 O4 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0415","0.036","","","0.0863","0.0892","","","","","","1.086","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000407","7.5797","0.0004","7.6692","0.0004","30.6092","0.0017","85.6093","0.0008","89.79","0.0009","88.3051","0.0008","1773.32","0.16","220","","220","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C80 H40 Cl8 N8 O4 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0408","0.0356","","","0.0859","0.089","","","","","","1.082","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000408","7.5747","0.0004","7.6588","0.0004","30.5803","0.0016","85.7079","0.0008","89.8361","0.0009","88.1942","0.0008","1768.2","0.16","210","","210","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C80 H40 Cl8 N8 O4 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0404","0.0355","","","0.0851","0.0881","","","","","","1.072","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000409","7.5681","0.0004","7.6518","0.0004","30.5589","0.0016","85.7256","0.0008","89.8676","0.0009","88.1423","0.0008","1763.8","0.16","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C80 H40 Cl8 N8 O4 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0391","0.0347","","","0.0832","0.0859","","","","","","1.07","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000410","7.5454","0.0004","7.6338","0.0004","30.5119","0.0016","85.5906","0.0007","89.9846","0.0008","88.0361","0.0008","1751.25","0.16","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C80 H40 Cl8 N8 O4 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0349","0.0317","","","0.0755","0.0776","","","","","","1.079","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000411","7.531","0.0004","15.22","0.0008","30.7947","0.0016","80.415","0.001","89.44","0.001","88.111","0.001","3478.5","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cl4 N4 O2 S4 -","- C40 H20 Cl4 N4 O2 S4 -","- C160 H80 Cl16 N16 O8 S16 -","4","2","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0416","0.0355","","","0.0934","0.0971","","","","","","1.047","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000412","7.6224","0.0005","7.6188","0.0006","15.8758","0.0012","97.7456","0.0012","93.2272","0.0012","92.4714","0.0012","910.9","0.12","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H16 Cl8 O4 S4 -","- C38 H16 Cl8 O4 S4 -","- C38 H16 Cl8 O4 S4 -","1","0.5","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0294","0.0249","","","0.0641","0.0669","","","","","","1.04","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000413","7.6001","0.0005","15.2128","0.0011","17.0597","0.0012","67.0648","0.0011","82.4814","0.0012","87.1754","0.0012","1800.9","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H16 Cl8 O4 S4 -","- C38 H16 Cl8 O4 S4 -","- C76 H32 Cl16 O8 S8 -","2","1","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0375","0.0277","","","0.0725","0.0783","","","","","","1.029","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000414","7.1814","0.0006","7.674","0.0006","21.6396","0.0017","96.108","0.001","98.58","0.001","92.34","0.001","1170.57","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H24 Cl12 O6 S4 -","- C48 H24 Cl12 O6 S4 -","- C48 H24 Cl12 O6 S4 -","1","0.5","","Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu","Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition.","The journal of physical chemistry letters","2020","","","1336","","10.1021/acs.jpclett.9b03847","","","0.71073","MoKα","","0.0262","0.0248","","","0.0651","0.0661","","","","","","1.035","","","","has coordinates","247871","2020-10-21","18:00:00",""
"8000415","7.3855","0.0002","9.2351","0.0003","24.6276","0.0008","90","","90","","90","","1679.75","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O5 -","- C18 H19 N O6 -","- C72 H76 N4 O24 -","4","1","","Xue, Shixin; Zhang, Nan; Hu, Xiaoling; Zeng, Yongfei; Zhang, Jingbo; Xing, Pengyao; Zhao, Yanli","Self-Assembly Evolution of <i>N</i>-Terminal Aromatic Amino Acids with Transient Supramolecular Chirality.","The journal of physical chemistry letters","2020","11","4","1490","1496","10.1021/acs.jpclett.0c00033","","","1.54178","CuKα","","0.0324","0.0315","","","0.0777","0.0787","","","","","","1.083","","","","has coordinates","248718","2020-10-21","18:00:00",""
"8000416","14.341","0.0005","14.341","0.0005","14.341","0.0005","90","","90","","90","","2949.43","0.18","348","2","348","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C16 H0 B8 F32 N5.33 Rb2.67 -","- C16 B8 F32 N5.33387 Rb2.66667 -","- C48 B24 F96 N16.0016 Rb8 -","3","0.015625","","Chu, Lu-Lu; Zhang, Tie; Zhang, Wan-Ying; Shi, Ping-Ping; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei","Three-Dimensional Metal-Free Molecular Perovskite with a Thermally Induced Switchable Dielectric Response.","The journal of physical chemistry letters","2020","","","1668","1674","10.1021/acs.jpclett.9b03556","","","0.71073","MoKα","","0.0543","0.0514","","","0.131","0.134","","","","","","1.167","","","","has coordinates","248717","2020-10-21","18:00:00",""
"8000417","14.2205","0.0003","14.2205","0.0003","14.2205","0.0003","90","","90","","90","","2875.71","0.11","273","2","273","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C6 H18 B3 F12 N3 -","- C6 H18 B3 F12 N3 -","- C48 H144 B24 F96 N24 -","8","0.333333","","Chu, Lu-Lu; Zhang, Tie; Zhang, Wan-Ying; Shi, Ping-Ping; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei","Three-Dimensional Metal-Free Molecular Perovskite with a Thermally Induced Switchable Dielectric Response.","The journal of physical chemistry letters","2020","","","1668","1674","10.1021/acs.jpclett.9b03556","","","0.71073","MoKα","","0.0386","0.0338","","","0.0881","0.0907","","","","","","1.09","","","","has coordinates","248717","2020-10-21","18:00:00",""
"8000418","14.3006","0.0004","14.3006","0.0004","14.3006","0.0004","90","","90","","90","","2924.58","0.14","358","2","358","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C48 H0 B24 F96 N24 -","- C48 B24 F96 N24.0016 -","- C48 B24 F96 N24.0016 -","1","0.00520833","","Chu, Lu-Lu; Zhang, Tie; Zhang, Wan-Ying; Shi, Ping-Ping; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei","Three-Dimensional Metal-Free Molecular Perovskite with a Thermally Induced Switchable Dielectric Response.","The journal of physical chemistry letters","2020","","","1668","1674","10.1021/acs.jpclett.9b03556","","","0.71073","MoKα","","0.1324","0.1303","","","0.488","0.4938","","","","","","1.228","","","","has coordinates","248717","2020-10-21","18:00:00",""
"8000419","14.2492","0.0002","14.2492","0.0002","14.2492","0.0002","90","","90","","90","","2893.15","0.07","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C6 H14 B3 F12 N2 Rb -","- C6 H14 B3 F12 N2 Rb -","- C48 H112 B24 F96 N16 Rb8 -","8","0.333333","","Chu, Lu-Lu; Zhang, Tie; Zhang, Wan-Ying; Shi, Ping-Ping; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei","Three-Dimensional Metal-Free Molecular Perovskite with a Thermally Induced Switchable Dielectric Response.","The journal of physical chemistry letters","2020","","","1668","1674","10.1021/acs.jpclett.9b03556","","","0.71073","MoKα","","0.0832","0.0528","","","0.1153","0.1275","","","","","","1.082","","","","has coordinates","248717","2020-10-21","18:00:00",""
"8000420","24.8035","0.0006","7.9768","0.0002","14.8847","0.0003","90","","121.21","0.002","90","","2518.76","0.11","298.5","","298.5","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H32 Cl8 N4 Sn -","- C12 H32 Cl8 N4 Sn -","- C48 H128 Cl32 N16 Sn4 -","4","0.5","","Song, Gaomin; Li, Mingze; Yang, Yi; Liang, Fei; Huang, Qian; Liu, Xiaomeng; Gong, Pifu; Xia, Zhiguo; Lin, Zheshuai","Lead-Free Tin(IV)-Based Organic-Inorganic Metal Halide Hybrids with Excellent Stability and Blue-Broadband Emission.","The journal of physical chemistry letters","2020","","","1808","1813","10.1021/acs.jpclett.0c00096","","","0.71073","MoKα","","0.0229","0.0206","","","0.0472","0.048","","","","","","1.048","","","","has coordinates","248715","2020-10-21","18:00:00",""
"8000421","13.6905","0.0009","19.3639","0.0013","28.2678","0.0019","90","","97.376","0.002","90","","7431.8","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C67.28 H51.67 Cl1.19 N4 O12.68 Zn -","- C67.2725 H51.6405 Cl1.198 N4 O12.6735 Zn -","- C269.09 H206.562 Cl4.792 N16 O50.694 Zn4 -","4","2","","Margarit, Charles G.; Asimow, Naomi G.; Gonzalez, Miguel I.; Nocera, Daniel G.","Double Hangman Iron Porphyrin and the Effect of Electrostatic Nonbonding Interactions on Carbon Dioxide Reduction.","The journal of physical chemistry letters","2020","","","1890","1895","10.1021/acs.jpclett.9b03897","","","0.71073","MoKα","","0.0905","0.0755","","","0.2128","0.2286","","","","","","1.052","","","","has coordinates,has disorder","248716","2020-10-21","18:00:00",""
"8000422","25.5422","0.0007","10.3454","0.0005","34.6772","0.0012","90","","90","","90","","9163.3","0.6","99.9","0.3","99.9","0.3","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H18 Cu3 N9 -","- C24 H18 Cu3 N9 -","- C384 H288 Cu48 N144 -","16","4","","Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan","Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes.","The journal of physical chemistry letters","2020","","","2067","","10.1021/acs.jpclett.9b03382","","x-ray","1.54184","CuKα","","0.0856","0.0677","","","0.1839","0.232","","","","","","1.033","","","","has coordinates","248623","2020-10-21","18:00:00",""
"8000423","25.6853","0.0011","10.4956","0.0003","35.037","0.002","90","","90","","90","","9445.4","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C96 H73 Cu12 N36 -","- C96 H73 Cu12 N36 -","- C384 H292 Cu48 N144 -","4","1","","Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan","Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes.","The journal of physical chemistry letters","2020","","","2067","","10.1021/acs.jpclett.9b03382","","x-ray","1.54184","CuKα","","0.1347","0.059","","","0.0854","0.1196","","","","","","0.971","","","","has coordinates","248623","2020-10-21","18:00:00",""
"8000424","11.592","0.0002","8.3296","0.0001","25.2621","0.0004","90","","102.944","0.002","90","","2377.24","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 Ag6 N18 -","- C48 H36 Ag6 N18 -","- C96 H72 Ag12 N36 -","2","0.5","","Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan","Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes.","The journal of physical chemistry letters","2020","","","2067","","10.1021/acs.jpclett.9b03382","","x-ray","0.71073","MoKα","","0.0307","0.0274","","","0.0709","0.0725","","","","","","1.155","","","","has coordinates","248623","2020-10-21","18:00:00",""
"8000425","11.5674","0.0005","8.5459","0.0004","25.4385","0.0013","90","","103.077","0.005","90","","2449.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 Ag6 N18 -","- C48 H36 Ag6 N18 -","- C96 H72 Ag12 N36 -","2","0.5","","Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan","Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes.","The journal of physical chemistry letters","2020","","","2067","","10.1021/acs.jpclett.9b03382","","x-ray","0.71073","MoKα","","0.0984","0.0449","","","0.058","0.0759","","","","","","1.011","","","","has coordinates","248623","2020-10-21","18:00:00",""
"8000426","7.1324","0.0001","18.7836","0.0002","18.9897","0.0002","89.437","0.001","79.51","0.001","88.405","0.001","2500.57","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H48 Cu6 N18 O3 -","- C51 H48 Cu6 N18 O3 -","- C102 H96 Cu12 N36 O6 -","2","1","","Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan","Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes.","The journal of physical chemistry letters","2020","","","2067","","10.1021/acs.jpclett.9b03382","","","1.54178","CuKα","","0.0463","0.0432","","","0.1214","0.1237","","","","","","1.057","","","","has coordinates,has disorder","248623","2020-10-21","18:00:00",""
"8000427","7.214","0.0004","18.8723","0.0005","19.0253","0.0005","89.557","0.002","80.608","0.004","89.749","0.004","2555.38","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 Cu3 N9 -","- C24 H18 Cu3 N9 -","- C96 H72 Cu12 N36 -","4","2","","Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan","Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes.","The journal of physical chemistry letters","2020","","","2067","","10.1021/acs.jpclett.9b03382","","x-ray","1.54184","CuKα","","0.0553","0.0453","","","0.1351","0.141","","","","","","1.08","","","","has coordinates,has disorder","248623","2020-10-21","18:00:00",""
"8000428","8.4804","0.0002","24.4406","0.0006","7.9107","0.0002","90","","90","","90","","1639.62","0.07","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H20 Br4 N2 Pb -","- C8 H20 Br4 N2 Pb -","- C32 H80 Br16 N8 Pb4 -","4","0.5","","Su, Binbin; Molokeev, Maxim S.; Xia, Zhiguo","Unveiling Mn<sup>2+</sup> Dopant States in Two-Dimensional Halide Perovskite toward Highly Efficient Photoluminescence.","The journal of physical chemistry letters","2020","11","7","2510","2517","10.1021/acs.jpclett.0c00593","","","1.54184","CuKα","","0.0302","0.0299","","","0.0861","0.0863","","","","","","1.095","","","","has coordinates","250119","2020-10-21","18:00:00",""
"8000429","9.6818","0.0002","15.8107","0.0003","26.3785","0.0004","90","","90","","90","","4037.92","0.13","172.99","0.1","172.99","0.1","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C21 H21 Cl2 Fe N O3 -","- C21 H21 Cl2 Fe N O3 -","- C168 H168 Cl16 Fe8 N8 O24 -","8","1","","Zong, Zhaohui; Li, Peizhou; Hao, Aiyou; Xing, Pengyao","Self-Assembly of <i>N</i>-Terminal Aryl Amino Acids into Adaptive Single- and Double-Strand Helices.","The journal of physical chemistry letters","2020","11","10","4147","4155","10.1021/acs.jpclett.0c00997","","x-ray","1.54184","CuKα","","0.0632","0.0569","","","0.1594","0.1754","","","","","","1.142","","","","has coordinates","252623","2020-10-21","18:00:00",""
"8000430","11.0166","0.0002","12.3581","0.0003","22.5772","0.0006","90","","90","","90","","3073.76","0.12","173","0.1","173","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 Cl2 Fe N2 O6 -","- C31 H30 Cl2 Fe N2 O6 -","- C124 H120 Cl8 Fe4 N8 O24 -","4","1","","Zong, Zhaohui; Li, Peizhou; Hao, Aiyou; Xing, Pengyao","Self-Assembly of <i>N</i>-Terminal Aryl Amino Acids into Adaptive Single- and Double-Strand Helices.","The journal of physical chemistry letters","2020","11","10","4147","4155","10.1021/acs.jpclett.0c00997","","x-ray","1.54184","CuKα","","0.1566","0.1435","","","0.3263","0.335","","","","","","1.117","","","","has coordinates,has disorder","252623","2020-10-21","18:00:00",""
"8000431","11.0155","0.0002","12.3587","0.0003","22.5754","0.0005","90","","90","","90","","3073.35","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 Cl2 Fe N2 O6 -","- C31 H30 Cl2 Fe N2 O6 -","- C124 H120 Cl8 Fe4 N8 O24 -","4","1","","Zong, Zhaohui; Li, Peizhou; Hao, Aiyou; Xing, Pengyao","Self-Assembly of <i>N</i>-Terminal Aryl Amino Acids into Adaptive Single- and Double-Strand Helices.","The journal of physical chemistry letters","2020","11","10","4147","4155","10.1021/acs.jpclett.0c00997","","","1.54178","CuKα","","0.1411","0.1365","","","0.3295","0.3326","","","","","","1.088","","","","has coordinates","252623","2020-10-21","18:00:00",""
"8000432","9.6682","0.0001","15.8378","0.0002","26.3801","0.0003","90","","90","","90","","4039.4","0.08","172.99","0.1","172.99","0.1","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C21 H21 Cl2 Fe N O3 -","- C21 H21 Cl2 Fe N O3 -","- C168 H168 Cl16 Fe8 N8 O24 -","8","1","","Zong, Zhaohui; Li, Peizhou; Hao, Aiyou; Xing, Pengyao","Self-Assembly of <i>N</i>-Terminal Aryl Amino Acids into Adaptive Single- and Double-Strand Helices.","The journal of physical chemistry letters","2020","11","10","4147","4155","10.1021/acs.jpclett.0c00997","","x-ray","1.54184","CuKα","","0.0401","0.0382","","","0.1115","0.1146","","","","","","1.13","","","","has coordinates","252623","2020-10-21","18:00:00",""
"8000433","26.564","0.002","26.692","0.002","33.045","0.003","90","","106.652","0.005","90","","22448","3","170","2","170.03","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C788 H832 Cu44 F48 P24 S36 Sb8 -","- C788 H832 Cu44 F48 P24 S36 Sb8 -","- C788 H832 Cu44 F48 P24 S36 Sb8 -","1","0.25","","Li, Hao; Zhai, Hongsheng; Zhou, Chuanjun; Song, Yongbo; Ke, Feng; Xu, Wen Wu; Zhu, Manzhou","Atomically Precise Copper Cluster with Intensely Near-Infrared Luminescence and Its Mechanism.","The journal of physical chemistry letters","2020","11","12","4891","4896","10.1021/acs.jpclett.0c01358","","","1.3418","GaKα","","0.2808","0.1973","","","0.4676","0.5036","","","","","","1.342","","","","has coordinates","253751","2020-10-21","18:00:00",""
"8000434","5.4967","0.0003","13.8112","0.0006","19.849","0.0009","90","","90","","90","","1506.86","0.13","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","9-(4-Iodobenzyl)-9H-Carbazole","9-(4-Iodobenzyl)-9H-Carbazole","","- C19 H14 I N -","- C19 H14 I N -","- C76 H56 I4 N4 -","4","1","","Sun, Huili; Ding, Riqing; Lv, Shanling; Zhou, Shasha; Guo, Sidan; Qian, Zhaosheng; Feng, Hui","Clustering-Triggered Ultralong Room-Temperature Phosphorescence of Organic Crystals through Halogen-Mediated Molecular Assembly.","The journal of physical chemistry letters","2020","11","13","4962","4969","10.1021/acs.jpclett.0c01272","","","0.71073","MoKα","","0.0328","0.0274","","","0.0616","0.0656","","","","","","1.046","","","","has coordinates","253750","2020-10-21","18:00:00",""
"8000435","5.5364","0.0006","13.6786","0.0014","19.513","0.002","90","","90","","90","","1477.7","0.3","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","9-(4-bromobenzyl)-9H-carbazole","9-(4-bromobenzyl)-9H-carbazole","","- C19 H14 Br N -","- C19 H14 Br N -","- C76 H56 Br4 N4 -","4","1","","Sun, Huili; Ding, Riqing; Lv, Shanling; Zhou, Shasha; Guo, Sidan; Qian, Zhaosheng; Feng, Hui","Clustering-Triggered Ultralong Room-Temperature Phosphorescence of Organic Crystals through Halogen-Mediated Molecular Assembly.","The journal of physical chemistry letters","2020","11","13","4962","4969","10.1021/acs.jpclett.0c01272","","","0.71073","MoKα","","0.0457","0.0312","","","0.071","0.0766","","","","","","1.021","","","","has coordinates","253750","2020-10-21","18:00:00",""
"8000436","8.4897","0.0006","10.6452","0.0006","30.8917","0.0019","90","","90","","90","","2791.8","0.3","100","2","100.05","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H16 F N O2 -","- C17 H16 F N O2 -","- C136 H128 F8 N8 O16 -","8","1","","Chu, Xiaotong; Lu, Zhuoqun; Tang, Baolei; Liu, Bin; Ye, Kaiqi; Zhang, Hongyu","Engineering Mechanical Compliance of an Organic Compound toward Flexible Crystal Lasing Media.","The journal of physical chemistry letters","2020","","","5433","5438","10.1021/acs.jpclett.0c01545","","","0.71073","MoKα","","0.0672","0.0541","","","0.1375","0.1457","","","","","","1.063","","","","has coordinates","253500","2020-10-21","18:00:00",""
"8000437","15.4183","0.0016","12.1852","0.0012","7.8546","0.0008","90","","104.549","0.004","90","","1428.4","0.3","216","","216","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2.34 H2.21 F0.14 N0.14 O0.28 -","- C2.34483 H2.2069 F0.137931 N0.137931 O0.275862 -","- C68 H64 F4 N4 O8 -","29","7.25","","Chu, Xiaotong; Lu, Zhuoqun; Tang, Baolei; Liu, Bin; Ye, Kaiqi; Zhang, Hongyu","Engineering Mechanical Compliance of an Organic Compound toward Flexible Crystal Lasing Media.","The journal of physical chemistry letters","2020","","","5433","5438","10.1021/acs.jpclett.0c01545","","","0.71073","MoKα","","0.1168","0.0673","","","0.1864","0.2464","","","","","","1.1","","","","has coordinates","253501","2020-10-21","18:00:00",""
"8000438","10.913","0.0007","11.7943","0.0007","11.5984","0.0006","90","","111.525","0.002","90","","1388.73","0.14","104","2","104.04","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 F N O2 -","- C17 H16 F N O2 -","- C68 H64 F4 N4 O8 -","4","1","","Chu, Xiaotong; Lu, Zhuoqun; Tang, Baolei; Liu, Bin; Ye, Kaiqi; Zhang, Hongyu","Engineering Mechanical Compliance of an Organic Compound toward Flexible Crystal Lasing Media.","The journal of physical chemistry letters","2020","","","5433","5438","10.1021/acs.jpclett.0c01545","","","0.71073","MoKα","","0.1079","0.0849","","","0.2365","0.2662","","","","","","1.04","","","","has coordinates","253502","2020-10-21","18:00:00",""
"8000439","11.0806","0.0001","15.6633","0.0001","23.814","0.0002","90","","96.483","0.001","90","","4106.7","0.06","123.01","0.1","123","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C80.5 H85 Cl7 F10 Ir2 N6 O2 S2 -","- C80.5 H85 Cl7 F10 Ir2 N6 O2 S2 -","- C161 H170 Cl14 F20 Ir4 N12 O4 S4 -","2","0.5","","Shafikov, Marsel Z.; Zaytsev, Andrey V.; Suleymanova, Alfiya F.; Brandl, Fabian; Kowalczyk, Aleksandra; Gapińska, Magdalena; Kowalski, Konrad; Kozhevnikov, Valery N.; Czerwieniec, Rafał","Near Infrared Phosphorescent Dinuclear Ir(III) Complex Exhibiting Unusually Slow Intersystem Crossing and Dual Emissive Behavior.","The journal of physical chemistry letters","2020","","","5849","5855","10.1021/acs.jpclett.0c01276","","","1.54184","CuKα","","0.0312","0.0292","","","0.0831","0.0847","","","","","","1.067","","","","has coordinates,has disorder","254782","2020-10-21","18:00:00",""
"8000440","9.5732","0.0004","9.1568","0.0004","15.2531","0.0007","90","","94.935","0.002","90","","1332.13","0.1","300","","300","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 Mn0.6 N2 Zn0.4 -","- C20 H32 Br4 Mn0.6 N2 Zn0.4 -","- C40 H64 Br8 Mn1.2 N4 Zn0.8 -","2","1","","Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo","Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions.","The journal of physical chemistry letters","2020","","","5956","5962","10.1021/acs.jpclett.0c01933","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.18","1.33","","","","","","","has coordinates","254284","2020-10-21","18:00:00",""
"8000441","9.5764","0.0005","9.1603","0.0004","15.2625","0.0007","90","","94.924","0.003","90","","1333.93","0.11","300","","300","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 Mn0.8 N2 Zn0.2 -","- C20 H32 Br4 Mn0.8 N2 Zn0.2 -","- C40 H64 Br8 Mn1.6 N4 Zn0.4 -","2","1","","Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo","Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions.","The journal of physical chemistry letters","2020","","","5956","5962","10.1021/acs.jpclett.0c01933","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.31","1.46","","","","","","","has coordinates","254285","2020-10-21","18:00:00",""
"8000442","9.552","0.0002","9.134","0.0002","15.2067","0.0003","90","","94.953","0.0014","90","","1321.8","0.05","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 N2 Zn -","- C20 H32 Br4 N2 Zn -","- C40 H64 Br8 N4 Zn2 -","2","1","","Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo","Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions.","The journal of physical chemistry letters","2020","","","5956","5962","10.1021/acs.jpclett.0c01933","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.07","1.86","","","","","","","has coordinates","254286","2020-10-21","18:00:00",""
"8000443","9.59257","0.00035","9.17931","0.00031","15.29408","0.00049","90","","94.8868","0.0019","90","","1341.8","0.08","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 Mn N2 -","- C20 H32 Br4 Mn N2 -","- C40 H64 Br8 Mn2 N4 -","2","1","","Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo","Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions.","The journal of physical chemistry letters","2020","","","5956","5962","10.1021/acs.jpclett.0c01933","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.56","1.704","","","","","","","has coordinates","254287","2020-10-21","18:00:00",""
"8000444","9.5593","0.0004","9.1402","0.0003","15.2225","0.0006","90","","94.958","0.002","90","","1325.07","0.09","300","","300","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 Mn0.2 N2 Zn0.8 -","- C20 H32 Br4 Mn0.2 N2 Zn0.8 -","- C40 H64 Br8 Mn0.4 N4 Zn1.6 -","2","1","","Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo","Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions.","The journal of physical chemistry letters","2020","","","5956","5962","10.1021/acs.jpclett.0c01933","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.17","1.33","","","","","","","has coordinates","254288","2020-10-21","18:00:00",""
"8000445","9.5667","0.0004","9.1487","0.0003","15.2381","0.0006","90","","94.949","0.002","90","","1328.71","0.09","300","","300","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 Mn0.4 N2 Zn0.6 -","- C20 H32 Br4 Mn0.4 N2 Zn0.6 -","- C40 H64 Br8 Mn0.8 N4 Zn1.2 -","2","1","","Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo","Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions.","The journal of physical chemistry letters","2020","","","5956","5962","10.1021/acs.jpclett.0c01933","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.12","1.28","","","","","","","has coordinates","254289","2020-10-21","18:00:00",""
"8000446","25.1222","0.001","14.9693","0.0006","40.2014","0.0019","90","","99.435","0.003","90","","14913.7","1.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 Ag5.26 Au24.74 S18 -","- C60 Ag5.27 Au24.73 S18 -","- C240 Ag21.08 Au98.92 S72 -","4","1","","Wijesinghe, Kalpani Hirunika; Sakthivel, Naga Arjun; Jones, Tanya; Dass, Amala","Crystal Structure of Au<sub>30-<i>x</i></sub>Ag<sub> <i>x</i> </sub>(S-<i>t</i>Bu)<sub>18</sub> and Effect of the Ligand on Ag Alloying in Gold Nanomolecules.","The journal of physical chemistry letters","2020","","","6312","6319","10.1021/acs.jpclett.0c01330","","","0.7293","synchrotron","","0.1518","0.1176","","","0.2819","0.3089","","","","","","1.063","","","","has coordinates,has disorder","254783","2020-10-21","18:00:00",""
"8000447","8.722","0.003","8.726","0.003","22.533","0.008","97.604","0.016","93.482","0.011","90.36","0.02","1696.5","1","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H30 I7 N3 Pb2 -","- C17 H30 I7 N3 Pb2 -","- C34 H60 I14 N6 Pb4 -","2","1","","Morrow, Darien J.; Hautzinger, Matthew P.; Lafayette, David P.; Scheeler, Jason M.; Dang, Lianna; Leng, Meiying; Kohler, Daniel D.; Wheaton, Amelia M.; Fu, Yongping; Guzei, Ilia A.; Tang, Jiang; Jin, Song; Wright, John C.","Disentangling Second Harmonic Generation from Multiphoton Photoluminescence in Halide Perovskites using Multidimensional Harmonic Generation.","The journal of physical chemistry letters","2020","","","6551","6559","10.1021/acs.jpclett.0c01720","","x-ray","0.71073","MoKα","K-L~3~","0.1237","0.0644","","","0.1229","0.1412","","","","","","1.014","","","","has coordinates,has disorder","257159","2020-10-21","18:00:00",""
"8000448","15.2662","0.0005","51.5233","0.0015","17.4781","0.0005","90","","90.777","0.002","90","","13746.4","0.7","230","","230","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H162 Ag2.68 Au27.31 S18 -","- C72 H162 Ag2.68 Au27.32 S18 -","- C288 H648 Ag10.72 Au109.28 S72 -","4","1","","Li, Yingwei; Taylor, Michael G.; Luo, Tian-Yi; Song, Yongbo; Rosi, Nathaniel L.; Mpourmpakis, Giannis; Jin, Rongchao","Heteroatom Tracing Reveals the 30-Atom Au-Ag Bimetallic Nanocluster as a Dimeric Structure.","The journal of physical chemistry letters","2020","11","17","7307","7312","10.1021/acs.jpclett.0c01977","","x-ray","1.54178","CuKα","","0.1152","0.0865","","","0.1961","0.2107","","","","","","1.079","","","","has coordinates,has disorder","255878","2020-10-21","18:00:00",""
"8000449","3.9649","0.0002","5.7919","0.0004","25.7992","0.0016","90","","90","","90","","592.46","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","potassium 2-furoate","furan-2-carboxylic acid, potassium salt (1:1)","","- C5 H3 K O3 -","- C5 H3 K O3 -","- C20 H12 K4 O12 -","4","1","","Frankhouser, Amy D.; Kanan, Matthew W.","Phase Behavior That Enables Solvent-Free Carbonate-Promoted Furoate Carboxylation.","The journal of physical chemistry letters","2020","","","7544","7551","10.1021/acs.jpclett.0c02210","","x-ray","0.71073","MoKα","","0.0355","0.029","","","0.0552","0.0572","","","","","","1.079","","","","has coordinates","255698","2020-10-21","18:00:00",""
"8000450","15.7472","0.0004","16.9033","0.0007","18.0345","0.0007","64.976","0.004","73.853","0.003","84.654","0.003","4176.6","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C94 H82 N4 O2 S4 -","- C94 H82 N4 O2 S4 -","- C188 H164 N8 O4 S8 -","2","1","","Zhou, Jiadong; Wen, Xinbo; Tang, Ningning; Zhou, Xuehong; Wang, Cong; Zheng, Nan; Liu, Linlin; Xie, Zengqi","Ultrafast and Long-Range Exciton Migration through Anisotropic Coulombic Coupling in the Textured Films of Fused-Ring Electron Acceptors.","The journal of physical chemistry letters","2020","11","18","7908","7913","10.1021/acs.jpclett.0c02569","","x-ray","1.54184","CuKα","","0.0916","0.0573","","","0.1367","0.1508","","","","","","1.037","","","","has coordinates","257162","2020-10-21","18:00:00",""
"8000451","16.1196","0.0003","16.1196","0.0003","17.5219","0.0006","90","","90","","90","","4552.9","0.2","143","2","143","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C72 H64 Mn4 N40 O12 -","- C72 H64 Mn4 N40 O12 -","- C144 H128 Mn8 N80 O24 -","2","0.25","","Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design.","The journal of physical chemistry letters","2020","11","19","7960","7965","10.1021/acs.jpclett.0c02235","","","0.71073","MoKα","","0.1414","0.126","","","0.2778","0.2839","","","","","","1.012","","","","has coordinates","257161","2020-10-21","18:00:00",""
"8000452","11.5389","0.0005","11.5389","0.0005","17.7377","0.0016","90","","90","","90","","2361.7","0.3","293","2","293","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C44 H0 Mn2 N22 O8 -","- C44 Mn2 N22 O8 -","- C88 Mn4 N44 O16 -","2","0.0625","","Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design.","The journal of physical chemistry letters","2020","11","19","7960","7965","10.1021/acs.jpclett.0c02235","","","0.71073","MoKα","","0.1396","0.1296","","","0.2698","0.2719","","","","","","1.097","","","","has coordinates","257161","2020-10-21","18:00:00",""
"8000453","11.6357","0.0006","12.2736","0.0006","16.6608","0.0007","90","","90","","90","","2379.4","0.2","282","2","282","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H Mn N10 O -","- C18 H Mn N10 O -","- C72 H4 Mn4 N40 O4 -","4","1","","Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design.","The journal of physical chemistry letters","2020","11","19","7960","7965","10.1021/acs.jpclett.0c02235","","","0.71073","MoKα","","0.0804","0.0623","","","0.1837","0.1943","","","","","","1.085","","","","has coordinates","257161","2020-10-21","18:00:00",""
"8000454","11.1875","0.0006","12.4566","0.0006","16.4477","0.0008","90","","90","","90","","2292.1","0.2","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H0 Mn2 N20 O2 -","- C36 Mn2 N20 O2 -","- C72 Mn4 N40 O4 -","2","0.5","","Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design.","The journal of physical chemistry letters","2020","11","19","7960","7965","10.1021/acs.jpclett.0c02235","","","0.71073","MoKα","","0.1107","0.1027","","","0.2954","0.3039","","","","","","1.143","","","","has coordinates","257161","2020-10-21","18:00:00",""
"8000455","11.6485","0.0006","12.2688","0.0005","16.6697","0.0007","90","","90","","90","","2382.32","0.19","301","2","301","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C18 H8 Mn N10 O -","- C18 H8 Mn N10 O -","- C72 H32 Mn4 N40 O4 -","4","0.5","","Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design.","The journal of physical chemistry letters","2020","11","19","7960","7965","10.1021/acs.jpclett.0c02235","","","0.71073","MoKα","","0.1431","0.1372","","","0.3015","0.3036","","","","","","1.098","","","","has coordinates,has disorder","257161","2020-10-21","18:00:00",""
"8000456","11.7122","0.0003","13.4138","0.0003","16.8162","0.0004","90","","103.261","0.002","90","","2571.46","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O7 Zn2 -","- C26 H26 N2 O7 Zn2 -","- C104 H104 N8 O28 Zn8 -","4","1","","Takimoto, Kazuyoshi; Ishihara, Shinsuke; Labuta, Jan; Březina, Václav; Payne, Daniel T.; Hill, Jonathan P.; Ariga, Katsuhiko; Sumita, Masato; Mori, Shigeki; Sato, Hisako","Enantiomeric Excess Dependent Splitting of NMR Signal through Dynamic Chiral Inversion and Coligand Exchange in a Coordination Complex.","The journal of physical chemistry letters","2020","11","19","8164","8169","10.1021/acs.jpclett.0c02284","","","0.71073","MoKα","","0.0445","0.0363","","","0.0791","0.0831","","","","","","1.036","","","","has coordinates","257160","2020-10-21","18:00:00",""
"8000457","15.198","0.0009","13.1294","0.0008","7.7881","0.0005","90","","98.169","0.003","90","","1538.27","0.16","148.04","","148.04","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl N3 O -","- C16 H16 Cl N3 O -","- C64 H64 Cl4 N12 O4 -","4","1","","Liu, Bin; Liu, Hao; Zhang, Houyu; Di, Qi; Zhang, Hongyu","Crystal Engineering of a Hydrazone Molecule toward High Elasticity and Bright Luminescence","The Journal of Physical Chemistry Letters","2020","","","9178","9183","10.1021/acs.jpclett.0c02623","","","0.71073","MoKα","","0.131","0.0668","","","0.1497","0.1904","","","","","","1.045","","","","has coordinates","258433","2020-10-21","18:00:00",""
"8000458","11.3576","0.001","8.0121","0.0006","67.179","0.006","90","","90","","90","","6113.2","0.9","100","2","99.98","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H32 Cl2 N6 O2 -","- C32 H32 Cl2 N6 O2 -","- C256 H256 Cl16 N48 O16 -","8","1","","Liu, Bin; Liu, Hao; Zhang, Houyu; Di, Qi; Zhang, Hongyu","Crystal Engineering of a Hydrazone Molecule toward High Elasticity and Bright Luminescence","The Journal of Physical Chemistry Letters","2020","","","9178","9183","10.1021/acs.jpclett.0c02623","","","0.71073","MoKα","","0.0839","0.079","","","0.1588","0.1607","","","","","","1.246","","","","has coordinates","258433","2020-10-21","18:00:00",""
"8000459","15.5657","0.0008","6.4012","0.0003","17.6685","0.0009","90","","102.526","0.002","90","","1718.57","0.15","297.8","","297.8","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cl N3 O2 -","- C17 H20 Cl N3 O2 -","- C68 H80 Cl4 N12 O8 -","4","1","","Liu, Bin; Liu, Hao; Zhang, Houyu; Di, Qi; Zhang, Hongyu","Crystal Engineering of a Hydrazone Molecule toward High Elasticity and Bright Luminescence","The Journal of Physical Chemistry Letters","2020","","","9178","9183","10.1021/acs.jpclett.0c02623","","","0.71073","MoKα","","0.1001","0.048","","","0.0972","0.1214","","","","","","1.016","","","","has coordinates","258433","2020-10-21","18:00:00",""
"8000460","15.7804","0.0008","6.3813","0.0003","18.8376","0.001","90","","107.348","0.002","90","","1810.65","0.16","297.8","","297.8","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl N3 O2 -","- C18 H22 Cl N3 O2 -","- C72 H88 Cl4 N12 O8 -","4","1","","Liu, Bin; Liu, Hao; Zhang, Houyu; Di, Qi; Zhang, Hongyu","Crystal Engineering of a Hydrazone Molecule toward High Elasticity and Bright Luminescence","The Journal of Physical Chemistry Letters","2020","","","9178","9183","10.1021/acs.jpclett.0c02623","","","0.71073","MoKα","","0.0955","0.0464","","","0.0995","0.1247","","","","","","1.015","","","","has coordinates","258433","2020-10-21","18:00:00",""
"8000461","14.9915","0.0014","6.3912","0.0005","20.0914","0.0018","90","","105.829","0.004","90","","1852","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Cl N3 O2 -","- C19 H24 Cl N3 O2 -","- C76 H96 Cl4 N12 O8 -","4","1","","Liu, Bin; Liu, Hao; Zhang, Houyu; Di, Qi; Zhang, Hongyu","Crystal Engineering of a Hydrazone Molecule toward High Elasticity and Bright Luminescence","The Journal of Physical Chemistry Letters","2020","","","9178","9183","10.1021/acs.jpclett.0c02623","","","0.71073","MoKα","","0.0953","0.0594","","","0.1271","0.1423","","","","","","1.068","","","","has coordinates","258433","2020-10-21","18:00:00",""
"8000462","6.6837","0.0003","21.6852","0.0009","27.8092","0.0012","90","","90","","90","","4030.6","0.3","296","2","296","2","","","","","","","","6","P n n n :2","-P 2ab 2bc","48","","","","- C72 H68 F24 N6 O20 P4 -","- C72 H52 F24 N6 O20 P4 -","- C144 H104 F48 N12 O40 P8 -","2","0.25","","Sui, Qi; Li, Peng; Sun, Rong; Fang, Yu-Hui; Wang, Lin; Wang, Bing-Wu; Gao, En-Qing; Gao, Song","Effects of Different Counter Anions on Solid-State Electron Transfer in Viologen Compounds: Modulation of Color and Piezo- and Photochromic Properties.","The journal of physical chemistry letters","2020","","","9282","9288","10.1021/acs.jpclett.0c02690","","","0.71073","MoKα","","0.1648","0.0861","","","0.2477","0.3098","","","","","","1.026","","","","has coordinates","258567","2020-10-22","23:45:19",""
"8000463","28.005","0.004","6.9983","0.0008","14.0177","0.0017","90","","119.983","0.006","90","","2379.6","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 B2 F8 N2 O4 -","- C24 H18 B2 F8 N2 O4 -","- C96 H72 B8 F32 N8 O16 -","4","0.5","","Sui, Qi; Li, Peng; Sun, Rong; Fang, Yu-Hui; Wang, Lin; Wang, Bing-Wu; Gao, En-Qing; Gao, Song","Effects of Different Counter Anions on Solid-State Electron Transfer in Viologen Compounds: Modulation of Color and Piezo- and Photochromic Properties.","The journal of physical chemistry letters","2020","","","9282","9288","10.1021/acs.jpclett.0c02690","","","0.71073","MoKα","","0.1154","0.0528","","","0.1346","0.1731","","","","","","1.029","","","","has coordinates,has disorder","258568","2020-10-22","23:45:50",""
"8000464","6.8623","0.0004","12.6219","0.001","15.1424","0.0012","74.772","0.007","82.398","0.005","76.727","0.006","1228.08","0.16","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 Br2 N2 O5 -","- C25 H22 Br2 N2 O5 -","- C50 H44 Br4 N4 O10 -","2","1","","Sui, Qi; Li, Peng; Sun, Rong; Fang, Yu-Hui; Wang, Lin; Wang, Bing-Wu; Gao, En-Qing; Gao, Song","Effects of Different Counter Anions on Solid-State Electron Transfer in Viologen Compounds: Modulation of Color and Piezo- and Photochromic Properties.","The journal of physical chemistry letters","2020","","","9282","9288","10.1021/acs.jpclett.0c02690","","","0.71073","MoKα","","0.051","0.0355","","","0.1035","0.1179","","","","","","0.671","","","","has coordinates,has disorder","258569","2020-10-22","23:46:22",""
"8000465","6.6806","0.0003","20.8364","0.0009","27.965","0.0012","90","","90","","90","","3892.7","0.3","296","2","296","2","","","","","","","","5","P n n n :2","-P 2ab 2bc","48","","","","- C72 H68 Cl4 N6 O36 -","- C72 H68 Cl3.996 N6 O35.984 -","- C144 H136 Cl7.992 N12 O71.968 -","2","0.25","","Sui, Qi; Li, Peng; Sun, Rong; Fang, Yu-Hui; Wang, Lin; Wang, Bing-Wu; Gao, En-Qing; Gao, Song","Effects of Different Counter Anions on Solid-State Electron Transfer in Viologen Compounds: Modulation of Color and Piezo- and Photochromic Properties.","The journal of physical chemistry letters","2020","","","9282","9288","10.1021/acs.jpclett.0c02690","","","0.71073","MoKα","","0.1726","0.0909","","","0.231","0.276","","","","","","1.074","","","","has coordinates,has disorder","258570","2020-10-22","23:46:51",""
"8000466","10.2996","0.0001","26.3489","0.0002","22.2194","0.0002","90","","92.337","0.001","90","","6024.96","0.09","99.9","0.3","99.9","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H74 Br9 In N6 O -","- C48 H74 Br9 In N6 O -","- C192 H296 Br36 In4 N24 O4 -","4","2","","Li, Zhongyuan; Song, Gaomin; Li, Ye; Wang, Le; Zhou, Tianliang; Lin, Zheshuai; Xie, Rong-Jun","Realizing Tunable White Light Emission in Lead-Free Indium(III) Bromine Hybrid Single Crystals through Antimony(III) Cation Doping.","The journal of physical chemistry letters","2020","11","23","10164","10172","10.1021/acs.jpclett.0c03079","","x-ray","1.54184","CuKα","","0.0418","0.0362","","","0.0867","0.0961","","","","","","1.063","","","","has coordinates,has disorder","259530","2020-12-04","02:30:19",""
"8000467","18.1441","0.0013","8.418","0.0005","8.6907","0.0006","90","","98.909","0.002","90","","1311.38","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis[4-(Trifluoromethyl)benzylammonium] Lead(II) Tetraiodide; [4-(Trifluoromethyl)benzylammonium]2PbI4","Bis{[4-(Trifluoromethyl)phenyl]methanammonium} Lead(II) Tetraiodide","","- C16 H18 F6 I4 N2 Pb -","- C16 H18 F6 I4 N2 Pb -","- C32 H36 F12 I8 N4 Pb2 -","2","0.5","","Wang, Pei-Xi; Najarian, Amin Morteza; Hao, Zhaomin; Johnston, Andrew; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Structural Distortion and Bandgap Increase of Two-Dimensional Perovskites Induced by Trifluoromethyl Substitution on Spacer Cations.","The journal of physical chemistry letters","2020","11","23","10144","10149","10.1021/acs.jpclett.0c02909","","","0.71073","MoKα","","0.0443","0.0285","","","0.06","0.0635","","","","","","0.999","","","","has coordinates,has disorder","259531","2020-12-04","02:30:30",""
"8000468","5.9937","0.001","31.533","0.005","7.4479","0.0009","90","","91.034","0.012","90","","1407.4","0.4","93","","93","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H9 I S2 -","- C18 H9 I S2 -","- C72 H36 I4 S8 -","4","2","","Matsunaga, Amane; Ogawa, Yuta; Kumaki, Daisuke; Tokito, Shizuo; Katagiri, Hiroshi","Control of Molecular Orientation in Organic Semiconductors Using Weak Iodine‒Iodine Interactions","The Journal of Physical Chemistry Letters","2020","","","111","116","10.1021/acs.jpclett.0c02978","","","0.71073","MoKα","","0.1633","0.1558","","","0.4193","0.4314","","","","","","1.844","","","","has coordinates","259877","2020-12-15","00:23:58",""
"8000469","8.264","0.004","8.901","0.002","8.9223","0.0014","90","0","90","0","90","0","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Wieduwilt, Erna K.; Macetti, Giovanni; Genoni, Alessandro","Climbing Jacob’s Ladder of Structural Refinement: Introduction of a Localized Molecular Orbital-Based Embedding for Accurate X-ray Determinations of Hydrogen Atom Positions","The Journal of Physical Chemistry Letters","2020","","","463","471","10.1021/acs.jpclett.0c03421","","","0.71073","MoKα","","0.018","0.018","","0.013","0.013","","0.0327","","0.8238","0.8238","0.8238","","","","","has coordinates,has disorder","288574","2023-12-31","01:38:45",""
"8000470","30.891","0.006","17.628","0.004","39.727","0.008","90","","99.02","0.03","90","","21366","8","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C180 H270 Ag26 Au S19 -","- C180 H270 Ag26 Au S19 -","- C720 H1080 Ag104 Au4 S76 -","4","1","","Lin, Xinzhang; Ma, Weiguang; Sun, Keju; Sun, Bo; Fu, Xuemei; Ren, Xiuqing; Liu, Chao; Huang, Jiahui","[AuAg26(SR)18S]− Nanocluster: Open Shell Structure and High Faradaic Efficiency in Electrochemical Reduction of CO2 to CO","The Journal of Physical Chemistry Letters","2020","","","552","557","10.1021/acs.jpclett.0c03416","","","0.9793","MoKα","","0.1058","0.099","","","0.2628","0.2709","","","","","","1.037","","","","has coordinates","260332","2021-01-01","01:32:19",""
"8000471","11.952","0.002","12.348","0.003","13.306","0.003","63.93","0.03","85.6","0.03","73.85","0.03","1692","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H28 F4 -","- C42 H26 F4 -","- C84 H52 F8 -","2","1","","Ma, Suqian; Liu, Yingjie; Zhang, Jibo; Xu, Bin; Tian, Wenjing","Polymorphism-Dependent Enhanced Emission in Molecular Aggregates: J-Aggregate versus X-Aggregate.","The journal of physical chemistry letters","2020","11","24","10504","10510","10.1021/acs.jpclett.0c02917","","","0.65252","","","0.0618","0.0562","","","0.1543","0.1617","","","","","","1.025","","","","has coordinates","260405","2021-01-04","02:31:13",""
"8000472","15.036","0.003","11.848","0.002","8.5039","0.0017","90","","95.07","0.03","90","","1509","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H26 F4 -","- C42 H26 F4 -","- C84 H52 F8 -","2","0.5","","Ma, Suqian; Liu, Yingjie; Zhang, Jibo; Xu, Bin; Tian, Wenjing","Polymorphism-Dependent Enhanced Emission in Molecular Aggregates: J-Aggregate versus X-Aggregate.","The journal of physical chemistry letters","2020","11","24","10504","10510","10.1021/acs.jpclett.0c02917","","","0.71073","MoKα","","0.1361","0.0632","","","0.121","0.1456","","","","","","1.002","","","","has coordinates","260406","2021-01-04","02:31:39",""
"8105075","10.5489","0.0003","6.2601","0.0001","21.3299","0.0007","90","","99.401","0.001","90","","1389.65","0.06","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cu F2 N4 O4 -","- C32 H28 Cu F2 N4 O4 -","- C64 H56 Cu2 F4 N8 O8 -","2","0.5","","Zhao, Ji-Xing; Wu, Qin","Synthesis and crystal structure of bis{5-fluorine-2-(((4-(1-(methoxy-imino)ethyl)phenyl) imino)methyl)phenolato-κ2 N,O}copper(II), C32H28CuF2N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","257","258","10.1515/ncrs-2019-0544","","","0.71073","MoKα","","0.0436","0.0312","","","0.079","0.0849","","","","","","1.061","","","","has coordinates","274739","2022-04-28","08:50:08",""
"8105076","9.2328","0.0001","12.933","0.0002","12.3477","0.0002","90","","97.383","0.001","90","","1462.19","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 F N2 O4 -","- C16 H17 F N2 O4 -","- C64 H68 F4 N8 O16 -","4","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Redetermination of the crystal structure of N′-(3-ethoxy-2-hydroxybenzylidene)-4-fluorobenzohydrazide monohydrate, C16H17FN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","259","261","10.1515/ncrs-2019-0568","","","1.54184","CuKα","","0.0361","0.0318","","","0.0829","0.0861","","","","","","1.021","","","","has coordinates","274740","2022-04-28","08:53:33",""
"8105077","13.921","0.0013","13.2329","0.0015","18.7191","0.0019","90","","126.25","0.002","90","","2780.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cl F N2 O2 -","- C15 H12 Cl F N2 O2 -","- C120 H96 Cl8 F8 N16 O16 -","8","2","","Yan, Xifeng; Zhong, Shibin; Zhang, Hong","The crystal structure of (E)-N′-(1-(3-chloro-4-fluorophenyl) ethylidene)-2-hydroxybenzohydrazide, C15H12ClFN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","263","265","10.1515/ncrs-2019-0571","","","0.71073","MoKα","","0.0815","0.0499","","","0.1338","0.142","","","","","","1.096","","","","has coordinates","274741","2022-04-28","09:03:49",""
"8105078","11.6325","0.0011","7.8196","0.0007","15.5644","0.0015","90","","106.288","0.002","90","","1358.9","0.2","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N3 -","- C17 H15 N3 -","- C68 H60 N12 -","4","1","","Liu, Jie; Cheng, Ruo-Liu; Yu, Shu-Zhen; Zou, Ying","Crystal structure of (E)-N-[4-(1H)-imidazolyl phenyl]-(2-methylphenyl)methanimine, C17H15N3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","267","268","10.1515/ncrs-2019-0584","","","0.71073","MoKα","","0.0456","0.0363","","","0.0894","0.0975","","","","","","1.047","","","","has coordinates","274742","2022-04-28","09:06:50",""
"8105079","11.7817","0.0014","5.3165","0.0006","14.1747","0.0016","90","","95.731","0.002","90","","883.43","0.18","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H17 N3 -","- C23 H17 N3 -","- C46 H34 N6 -","2","1","","Liu, Quan; Xiong, Guowei; Chen, Yunfeng; Li, Yuanxiang","The crystal structure of 1-benzyl-4-(2-(phenylethynyl)phenyl)-1H-1,2,3-triazole, C23H17N3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","269","270","10.1515/ncrs-2019-0585","","x-ray","0.71073","MoKα","","0.0942","0.0663","","","0.1384","0.1567","","","","","","1.012","","","","has coordinates","274743","2022-04-28","09:10:43",""
"8105080","15.84368","0.00004","8.46281","0.00002","20.88054","0.00008","90","","90","","90","","2799.71","0.014","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H30 Cd Cl2 P2 -","- C29 H30 Cd Cl2 P2 -","- C116 H120 Cd4 Cl8 P8 -","4","1","","Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of catena-poly[{μ2-1,5-bis(diphenylphosphanyl)pentane-κ2 P:P′}dichloridocadmium(II)], C29H30CdCl2P2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","271","273","10.1515/ncrs-2019-0595","","","1.54184","CuKα","","0.0275","0.0275","","","0.0719","0.0719","","","","","","1.013","","","","has coordinates","274744","2022-04-28","09:15:15",""
"8105081","8.1573","0.0001","17.4823","0.0001","9.1162","0.0001","90","","116.432","0.001","90","","1164.14","0.02","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H28 N6 O7 S -","- C19 H28 N6 O7 S -","- C38 H56 N12 O14 S2 -","2","1","","Jiang, Binli; Zhou, Guo-Chun","Crystal structure of methyl (E)-N 2-((3-methylquinolin-8-yl)sulfonyl)-Nω′-nitro-L-argininate - ethanol (1/1), C19H28N6O7S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","275","277","10.1515/ncrs-2019-0597","","","1.54184","CuKα","","0.0289","0.0273","","","0.0722","0.0732","","","","","","1.052","","","","has coordinates","274745","2022-04-28","09:18:23",""
"8105082","11.339","0.004","9.887","0.005","23.069","0.009","90","","91.125","0.005","90","","2585.7","1.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 I N O3 P Rh -","- C25 H28 I N O3 P Rh -","- C100 H112 I4 N4 O12 P4 Rh4 -","4","1","","Elmakki, Mohammed A.; Alexander, Orbett T.; Roodt, Andreas","The crystal structure of trans-carbonyl-(diphenylcyclohexyl-phosphine-κP)iodidomethyl-(2-oxopyridin-1(2H)-olato-κ2 O,O′)rhodium(III), C25H28INO3PRh","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","279","281","10.1515/ncrs-2019-0602","","","0.71069","MoKα","","0.0775","0.0463","","","0.0945","0.1093","","","","","","1.066","","","","has coordinates,has disorder","274746","2022-04-28","09:23:02",""
"8105083","8.2116","0.0003","11.1926","0.0004","17.3488","0.0007","90","","96.245","0.001","90","","1585.05","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N8 O7 Zn -","- C12 H12 N8 O7 Zn -","- C48 H48 N32 O28 Zn4 -","4","1","","Yan, Jin-Long","Crystal structure of N-(amino(pyrazin-2-yl)methylene)-6-methylpyridin-1-ium-3-carbohydrazonate-κ3 O,N,N′)-(dinitrato-κ1O)zinc(II), C12H12N8O7Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","283","284","10.1515/ncrs-2019-0605","","","1.54178","CuKα","","0.0274","0.0263","","","0.0713","0.0722","","","","","","1.067","","","","has coordinates","274747","2022-04-28","09:26:10",""
"8105084","9.7862","0.0013","12.469","0.0017","12.8413","0.0017","84.163","0.002","73.602","0.003","85.524","0.002","1493.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 Cl3 Cr N7 O3 -","- C27 H33 Cl3 Cr N7 O3 -","- C54 H66 Cl6 Cr2 N14 O6 -","2","1","","Li, Ji; Wu, Siqi","The crystal structure of dichlorido-(tris(2-benzimidazolylmethyl)amine-κ4 N,N′,N′′,N′′′)chromium(III) chloride — methanol (1/3), CrC27H33Cl3N7O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","285","287","10.1515/ncrs-2019-0607","","x-ray","0.71073","MoKα","","0.0597","0.0472","","","0.137","0.1524","","","","","","1.035","","","","has coordinates,has disorder","274748","2022-04-28","09:28:49",""
"8105085","6.9547","0.0009","8.4684","0.0012","8.9563","0.0015","117.888","0.015","101.74","0.013","93.026","0.011","449.75","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H24 Ag2 N2 O10 S2 -","- C10 H24 Ag2 N2 O10 S2 -","- C10 H24 Ag2 N2 O10 S2 -","1","0.5","","Jiang, Jin-Ke; Xu, Xin-Yue; Li, Xi-Xi; Du, Jing-Jie; Jiang, Hui; Dong, Xian-Wu","Crystal structure of catena-poly[aqua(μ4-piperazine-1,4-bis(2-hydroxypropanesulfonato-κ8 O,O′:O′,N:N′,O′′:O′′,O′′′))silver(I)], C10H24Ag2N2O10S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","289","290","10.1515/ncrs-2019-0610","","","0.71073","MoKα","","0.0498","0.0365","","","0.0795","0.0858","","","","","","1.023","","","","has coordinates","274749","2022-04-28","09:31:37",""
"8105086","11.2999","0.0009","14.1471","0.0011","15.2378","0.0012","67.656","0.001","72.115","0.001","69.73","0.001","2069.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H52 Cl8 F16 O10 Sn4 -","- C84 H52 Cl8 F16 O10 Sn4 -","- C84 H52 Cl8 F16 O10 Sn4 -","1","0.5","","Sun, Junshan","Crystal structure of bis(μ3-oxido)-bis(μ2–2,3,4,5-tetrafluorobenzoato-κ2O:O′)-bis(2,3,4,5-tetrafluorobenzoato-κO)-oktakis(3-chlorobenzyl-κC)tetratin(IV), C84H52Cl8F16O10Sn4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","291","292","10.1515/ncrs-2019-0613","","","0.71073","MoKα","","0.0346","0.0284","","","0.0694","0.0732","","","","","","1.004","","","","has coordinates","274750","2022-04-28","09:34:34",""
"8105087","6.0573","0.0003","13.8341","0.0006","33.0876","0.0015","90","","92.837","0.002","90","","2769.3","0.2","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F N2 O2 -","- C16 H15 F N2 O2 -","- C128 H120 F8 N16 O16 -","8","2","","Fu, Tao; Ma, Jin-Xia; Li, Qing-Lin; Wei, Ping; Zhao, Ji-Xing; Zhao, Li","Crystal structure of (E)-1-{4-[(4-fluoro-2-hydroxybenzylidene)amino]phenyl}ethanone O-methyl oxime, C16H15FN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","293","295","10.1515/ncrs-2019-0614","","","0.71073","MoKα","","0.1","0.0581","","","0.1289","0.1605","","","","","","1.035","","","","has coordinates","274751","2022-04-28","09:37:56",""
"8105088","8.0184","0.0001","8.4326","0.0001","23.5086","0.0002","80.478","0.001","80.679","0.001","76.112","0.001","1509.37","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 N4 O4 P2 S4 Zn -","- C20 H30 N4 O4 P2 S4 Zn -","- C40 H60 N8 O8 P4 S8 Zn2 -","2","1","","Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of catena-[(bis(O,O′-diethyl dithiophosphato-S,S′)-μ2-1,2-bis(3-pyridylmethylene)hydrazine-N,N′)zinc(II)], {C20H30N4O4P2S4Zn}n","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","297","299","10.1515/ncrs-2019-0621","","","1.54184","CuKα","","0.0475","0.0449","","","0.1158","0.1182","","","","","","1.006","","","","has coordinates","274752","2022-04-28","09:40:51",""
"8105089","4.511","0.002","11.891","0.006","14.557","0.007","109.709","0.009","96.971","0.009","97.054","0.009","718.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 I N3 O2 -","- C15 H12 I N3 O2 -","- C30 H24 I2 N6 O4 -","2","1","","Fang, Bo; Jiang, Fang Fang; Meng, Jiang Ping","Crystal structure of methyl 2-(4-(3-iodopyrazolo[1,5-a]pyrimidin-6-yl)phenyl)acetate, C15H12IN3O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","301","302","10.1515/ncrs-2019-0624","","","0.71073","MoKα","","0.067","0.0449","","","0.0966","0.1052","","","","","","0.99","","","","has coordinates","274753","2022-04-28","09:43:58",""
"8105090","24.1612","0.0007","13.0229","0.0003","14.918","0.0004","90","","121.383","0.003","90","","4007.2","0.2","173","2","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>fac</i>-bis(hexacarbonyl-<i>μ</i>~2~-methoxy)(<i>μ</i>~2~- bis(di-<i>p</i>-tolylphosphino) cyclohexylamine)dirhenium(I)","","- C42 H45 N O8 P2 Re2 -","- C42 H45 N O8 P2 Re2 -","- C168 H180 N4 O32 P8 Re8 -","4","0.5","","Kama, Dumisani V.; Brink, Alice; Alberto, Roger; Roodt, Andreas","Crystal structure of hexacarbonyl-(μ2-methanoato-k2 O:O′)-(μ2–bis(di-p-tolylphosphino)cyclohexylamine-κ2 P:P′)dirhenium(I), C42H45NO8P2Re2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","303","305","10.1515/ncrs-2019-0632","","","0.71073","MoKα","","0.0291","0.0235","","","0.0553","0.0596","","","","","","1.088","","","","has coordinates,has disorder","274780","2022-05-02","07:36:30",""
"8105091","9.6366","0.0019","9.5098","0.0019","16.095","0.003","90","","103.59","0.03","90","","1433.7","0.5","153","2","153.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N10 O2 -","- C14 H10 N10 O2 -","- C56 H40 N40 O8 -","4","1","","Jiaping, Zhu; Gang, Wang; Dang, Wu","The cocrystal structure of 1′-hydroxy-1H,1′H-[5,5′-bitetrazol]-1-olate and 1,10-phenanthrolin-1-ium, C14H10N10O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","307","308","10.1515/ncrs-2019-0633","","","0.71073","MoKα","","0.0663","0.0579","","","0.1258","0.1309","","","","","","1.132","","","","has coordinates","274781","2022-05-02","07:39:33",""
"8105092","9.875","0.006","10.415","0.006","20.562","0.012","90","","98.13","0.007","90","","2094","2","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Br N -","- C24 H24 Br N -","- C96 H96 Br4 N4 -","4","1","","Liao, Juan; Zeng, Fei; Ding, Man-Hua","The crystal structure of 1-benzyl-2-((4-(tert-butyl)phenyl)ethynyl)pyridin-1-ium bromide,C24H24BrN","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","309","310","10.1515/ncrs-2019-0638","","","0.71073","MoKα","","0.0468","0.0367","","","0.0987","0.1044","","","","","","1.036","","","","has coordinates","274782","2022-05-02","07:43:37",""
"8105093","18.8","0.004","21.224","0.004","14.436","0.003","90","","112.094","0.006","90","","5337.1","1.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cu N12 O2 -","- C26 H16 Cu N12 O2 -","- C208 H128 Cu8 N96 O16 -","8","1","","Jiaping, Zhu; Gang, Wang; Dang, Wu","Crystal structure of (5,5′-bitetrazole-1,1′-diolate)-bis(1,10-phenanthroline)-copper(II), C26H16CuN12O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","311","312","10.1515/ncrs-2019-0639","","","0.71073","MoKα","","0.089","0.0468","","","0.1081","0.1287","","","","","","0.956","","","","has coordinates","274783","2022-05-02","08:00:34",""
"8105094","7.1069","0.0001","20.5238","0.0002","10.8978","0.0001","90","","96.029","0.001","90","","1580.77","0.03","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Mn N2 O18 -","- C28 H40 Mn N2 O18 -","- C56 H80 Mn2 N4 O36 -","2","0.5","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of bis(ammonium) diaqua-tetrakis(4-hydroxybenzoato)-manganese(II) tetrahydrate, [NH4]2[C28H24MnO14] ⋅ 4(H2O)","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","313","315","10.1515/ncrs-2019-0642","","","0.71073","MoKα","","0.0279","0.0255","","","0.0726","0.0746","","","","","","1.011","","","","has coordinates","274784","2022-05-02","08:05:47",""
"8105095","10.2139","0.0013","5.6835","0.0006","17.597","0.002","90","","106.484","0.004","90","","979.5","0.2","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-chloro-1-hydrazino-2,4,6-trinitrobenzene","","- C6 H4 Cl N5 O6 -","- C6 H4 Cl N5 O6 -","- C24 H16 Cl4 N20 O24 -","4","1","","Mei, Xue; Yong, Xiang; Jian, Wang; Yushan, Zhang; Yuehua, Yao; Jianlong, Wang","The crystal structure of 3-chloro-1-hydrazino-2,4,6-trinitrobenzene, C6H4ClN5O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","317","318","10.1515/ncrs-2019-0647","","","0.71073","MoKα","","0.0958","0.0497","","","0.0933","0.1138","","","","","","1.046","","","","has coordinates","274785","2022-05-02","08:16:30",""
"8105096","11.7844","0.0002","7.6063","0.0001","13.1965","0.0002","90","","111.594","0.002","90","","1099.86","0.03","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C12 H24 Cd N2 O4 P2 S4 -","- C12 H24 Cd N2 O4 P2 S4 -","- C24 H48 Cd2 N4 O8 P4 S8 -","2","0.5","","Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of catena-[(μ2-pyrazine-κ2 N:N′)-bis(O,O′-di-ethyldithiophosphato-κ2 S,S′)cadmium(II)], {C12H24CdN2O4P2S4}n","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","319","321","10.1515/ncrs-2019-0648","","","1.54184","CuKα","","0.0173","0.0171","","","0.0466","0.0467","","","","","","1.006","","","","has coordinates","274786","2022-05-02","08:25:25",""
"8105097","9.6352","0.0002","11.3986","0.0002","14.8017","0.0003","85.713","0.002","89.877","0.002","86.048","0.002","1617.23","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H38 Cd N4 O4 P2 S4 -","- C20 H38 Cd N4 O4 P2 S4 -","- C40 H76 Cd2 N8 O8 P4 S8 -","2","1","","Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of catena-poly[(μ2-pyrazine-N,N′)-bis(O,O′-di-isopropyldithiophosphato-S,S′)cadmium(II) acetonitrile di-solvate], [C16H32CdN2O4P2S4⋅2(C2H3N)]n","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","323","325","10.1515/ncrs-2019-0649","","","1.54184","CuKα","","0.0288","0.0285","","","0.0827","0.0829","","","","","","1.112","","","","has coordinates","274787","2022-05-02","08:36:24",""
"8105098","7.7367","0.0001","21.5637","0.0001","23.1184","0.0002","90","","99.121","0.001","90","","3808.12","0.06","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H45 N5 O6 P2 S4 Zn -","- C28 H45 N5 O6 P2 S4 Zn -","- C112 H180 N20 O24 P8 S16 Zn4 -","4","1","","Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of catena-poly{(μ2-N 1,N 2-bis[(pyridin-4-yl)methyl]ethanediamide-κ2 N:N′)-bis(O,O′-di-isopropyldithiophosphato-κ1 S)zinc(II)} — acetonitrile (1/1), C26H42N4O6P2S4Zn⋅C2H3N","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","327","329","10.1515/ncrs-2019-0650","","","1.54184","CuKα","","0.0218","0.021","","","0.0573","0.058","","","","","","1.034","","","","has coordinates","274788","2022-05-02","08:47:03",""
"8105099","9.811","0.002","15.53","0.003","13.639","0.003","90","","122.122","0.003","90","","1760","0.6","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Co O10 -","- C16 H22 Co O10 -","- C64 H88 Co4 O40 -","4","1","","Pang, Haixia; Xie, Zhucan; Zhang, Hong; Xu, Baoming; Gan, Hongyu","Crystal structure of tetraqua-bis(4-(hydroxymethyl)benzoato-κO)cobalt(II), C16H22O10Co","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","331","333","10.1515/ncrs-2019-0652","","","0.71073","MoKα","","0.0287","0.0243","","","0.0763","0.0821","","","","","","1.082","","","","has coordinates","274789","2022-05-02","08:53:24",""
"8105100","9.3353","0.0002","9.7725","0.0002","10.6884","0.0002","63.153","0.002","64.193","0.002","62.71","0.002","740.43","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Cd N4 O4 P2 S4 -","- C20 H30 Cd N4 O4 P2 S4 -","- C20 H30 Cd N4 O4 P2 S4 -","1","0.5","","Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of catena-[(bis(O,O′-diethyl dithiophosphato-S,S′)-μ2-1,2-bis(4-pyridylmethylene)hydrazine-N,N′)cadmium(II)], {C20H30CdN4O4P2S4}n","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","335","337","10.1515/ncrs-2019-0653","","","1.54184","CuKα","","0.0171","0.0171","","","0.0465","0.0465","","","","","","1.032","","","","has coordinates","274790","2022-05-02","08:58:01",""
"8105101","12.6641","0.0001","13.0014","0.0001","15.3072","0.0001","90","","90","","90","","2520.35","0.03","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H22 Cd N4 O4 P2 S4 -","- C16 H22 Cd N4 O4 P2 S4 -","- C64 H88 Cd4 N16 O16 P8 S16 -","4","0.5","","Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of catena-poly[(μ2-1,2-bis(3-pyridylmethylene)hydrazine-κ2 N:N′)-bis(O,O′-dimethyl dithiophosphato-κ2-S,S′)cadmium(II)], {C16H22CdN4O4P2S4}n","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","339","341","10.1515/ncrs-2019-0654","","","1.54184","CuKα","","0.0195","0.0186","","","0.0497","0.0503","","","","","","1.071","","","","has coordinates","274791","2022-05-02","09:19:16",""
"8105102","9.0764","0.0003","9.3969","0.0003","9.6964","0.0003","86.516","0.003","63.362","0.003","75.25","0.003","713.5","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Cd N4 O4 P2 S4 -","- C20 H30 Cd N4 O4 P2 S4 -","- C20 H30 Cd N4 O4 P2 S4 -","1","0.5","","Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of catena-poly[(bis(O,O′-diethyl dithiophosphato-κ2 S,S′)-μ2-1,2-bis(3-pyridylmethylene)hydrazine-κ2 N:N′)cadmium(II)], {C20H30CdN4O4P2S4}n","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","343","345","10.1515/ncrs-2019-0655","","","1.54184","CuKα","","0.0166","0.0166","","","0.0462","0.0462","","","","","","1.051","","","","has coordinates","274792","2022-05-02","09:32:10",""
"8105103","13.101","0.006","11.151","0.005","20.855","0.01","90","","90","","90","","3047","2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Catena((E)-2-(((5-((trimethylstannyl)thio)-1,3,4-thiadiazol-2- yl)imino)methyl)phenol)","","- C12 H15 N3 O S2 Sn -","- C12 H15 N3 O S2 Sn -","- C96 H120 N24 O8 S16 Sn8 -","8","1","","Sun, Junshan","The crystal structure of catena-poly[(E)-2-(((5-((trimethylstannyl)thio)-1,3,4-thiadiazol-2-yl)imino)methyl)phenol], C12H15N3OS2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","347","348","10.1515/ncrs-2019-0658","","","0.71073","MoKα","","0.0903","0.044","","","0.1115","0.156","","","","","","1.038","","","","has coordinates","274793","2022-05-02","09:37:16",""
"8105104","19.209","0.013","15.144","0.011","24.011","0.019","90","","90","","90","","6985","9","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","dichloro[1,1-di-<i>p</i>-tolyl-<i>N</i>-(2-methylbenzene) phosphinamide-<i>k</i>P](methyl-di-<i>p</i>- tolylphosphinite-<i>k</i>P)-palladium(II)","","- C36 H39 Cl2 N O P2 Pd -","- C36 H39 Cl2 N O P2 Pd -","- C288 H312 Cl16 N8 O8 P16 Pd8 -","8","1","","Kama, Dumisani V.; Brink, Alice; Roodt, Andreas","Crystal structure of dichlorido(N-o-tolyl-1,1-di-p-tolylphosphanamine–κ1 P)-(methoxydi-p-tolylphosphane-κ1 P)palladium(II), C36H39Cl2NOP2Pd","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","349","352","10.1515/ncrs-2019-0659","","","0.71069","MoKα","","0.0491","0.0292","","","0.0706","0.0867","","","","","","1.127","","","","has coordinates","274794","2022-05-02","09:42:01",""
"8105105","12.2492","0.0009","12.4617","0.0009","14.3841","0.0011","74.189","0.006","74.543","0.007","85.97","0.006","2036.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(Trimethylsilyl)methyllithium","","- C24 H66 Li6 Si6 -","- C24 H66 Li6 Si6 -","- C48 H132 Li12 Si12 -","2","1","","Bauer, Jonathan O.","The crystal structure of the triclinic polymorph of hexameric (trimethylsilyl)methyllithium, C24H66Li6Si6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","353","356","10.1515/ncrs-2019-0662","","","0.71073","MoKα","","0.1193","0.0465","","","0.0713","0.0802","","","","","","0.8","","","","has coordinates","274795","2022-05-02","09:46:59",""
"8105106","6.8423","0.001","8.8919","0.0013","12.6319","0.0018","104.743","0.002","94.606","0.002","90.934","0.002","740.3","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 Co N8 O4 -","- C34 H22 Co N8 O4 -","- C34 H22 Co N8 O4 -","1","0.5","","Huang, Junjie; Lu, Yang; Lu, Hui; Sun, Jianhua","Crystal structure of bis(hydroxydi(pyridin-2-yl)methanolato-κ3 N,N′O)cobalt(III) 7,7,8,8-tetracyanoquinodimethane, C34H22CoN8O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","357","358","10.1515/ncrs-2019-0668","","","0.71073","MoKα","","0.0424","0.0369","","","0.1023","0.1179","","","","","","1.076","","","","has coordinates","274836","2022-05-03","08:05:04",""
"8105107","5.8236","0.0004","16.7277","0.0013","10.5963","0.0007","90","","96.022","0.002","90","","1026.55","0.13","153","2","153.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C54 H46 N2 O6 -","2","1","","Wang, Li; An, Xiao-Xin; Cui, Yong-Fan; Dong, Wen-Kui","Synthesis and crystal structure of benzyl 5-oxo-5-phenyl-2-(quinolin-2-yl)pentanoate, C27H23NO3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","359","360","10.1515/ncrs-2019-0670","","","0.71073","MoKα","","0.045","0.0396","","","0.0926","0.0953","","","","","","1.051","","","","has coordinates","274837","2022-05-03","08:08:20",""
"8105108","12.675","0.0018","11.0927","0.0017","28.4","0.004","90","","90","","90","","3993","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 Cl2 N O5 -","- C19 H19 Cl2 N O5 -","- C152 H152 Cl16 N8 O40 -","8","1","","Guo, You-Yuan; Wang, Huan; Ma, Xin; Fu, Ying","Crystal structure of 5,5-dimethyl-3-oxocyclohex-1-en-1-yl 4-(2,2-dichloroacetyl)-3,4-dihydro-2 H-benzo[b][1,4]oxazine-7-carboxylate, C19H19Cl2NO5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","361","363","10.1515/ncrs-2019-0671","","","0.71073","MoKα","","0.1227","0.07","","","0.1704","0.2011","","","","","","1.064","","","","has coordinates","274838","2022-05-03","08:15:22",""
"8105109","15.061","0.003","13.791","0.003","10.106","0.002","90","","118.6","0.03","90","","1843","0.8","294","2","294.3","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C9 H14 O3 -","- C9 H14 O3 -","- C72 H112 O24 -","8","1","","Li, Zhuang-Yu; Liu, Xiao-Jing; Guo, Zi-Yu; Li, Wen-Yu; Liu, E.; Jian, Fang-Fang","Crystal structure of dipentyl 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylate, C18H28O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","365","366","10.1515/ncrs-2019-0672","","","0.71073","MoKα","","0.0605","0.0462","","","0.1223","0.1315","","","","","","1.0259","","","","has coordinates","274839","2022-05-03","08:18:22",""
"8105110","14.9275","0.0002","10.18003","0.00011","18.3497","0.0002","90","","92.0808","0.0013","90","","2786.63","0.06","290.3","0.9","290.3","0.9","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 Cd2 N2 O10 S2 -","- C30 H18 Cd2 N2 O10 S2 -","- C120 H72 Cd8 N8 O40 S8 -","4","1","","Zheng, Min","The crystal structure of catena-poly[diaqua-(μ4-5-(benzo[d]thiazol-2-yl)benzene-1,3-dicarboxylate-κ4 O,O′:O′′,O′′′)-(μ4-5-(benzo[d]thiazol-2-yl)benzene-1,3-dicarboxylate-κ4 O,O′:O′′,O′′′)dicadmium(II)], C30H18Cd2N2O10S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","367","369","10.1515/ncrs-2019-0677","","x-ray","0.71073","MoKα","","0.0348","0.0285","","","0.0647","0.0679","","","","","","1.052","","","","has coordinates","274840","2022-05-03","08:23:29",""
"8105111","7.5458","0.0007","8.5659","0.0006","8.6089","0.0005","108.189","0.006","110.492","0.007","98.678","0.007","473.56","0.08","296.45","0.11","296.45","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 B2 F4 I2 N4 -","- C14 H14 B2 F4 I2 N4 -","- C14 H14 B2 F4 I2 N4 -","1","0.5","","Liu, Yingfan; Li, Xiaochuan; Sun, Saisai; Ji, Guangqian; Son, Young-A.","Crystal structure of 2,7-diiodo-1,3,6,8-tetramethyl-bis(difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene)hydrazine, C14H14B2F4I2N4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","371","372","10.1515/ncrs-2019-0678","","x-ray","0.71073","MoKα","","0.0375","0.0334","","","0.0808","0.0831","","","","","","1.074","","","","has coordinates","274841","2022-05-03","08:32:16",""
"8105112","7.685","0.005","13.482","0.005","23.24","0.005","90","0.005","93.578","0.005","90","0.005","2403.2","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H50 Eu2 N16 O24 -","- C32 H50 Eu2 N16 O24 -","- C64 H100 Eu4 N32 O48 -","2","0.5","","Zhu, Min; Song, Wen-Qi; Miao, Zong-Cheng","A dinuclear Eu(III) complex in the crystal structure of dodecaaqua-bis(μ2-4-(1H-tetrazol-5-yl)benzoato-κ2 O:O′) bis(5-(4-carboxylatophenyl)tetrazol-1-ide) tetrahydrate, C32H50Eu2N16O24","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","373","375","10.1515/ncrs-2019-0679","","","0.71069","MoKα","","0.0306","0.0235","","","0.0539","0.0577","","","","","","1.007","","","","has coordinates","274842","2022-05-03","08:35:12",""
"8105113","15.18","0.005","10.221","0.003","13.556","0.004","90","","106.628","0.004","90","","2015.3","1.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 F2 N2 O3 S -","- C24 H18 F2 N2 O3 S -","- C96 H72 F8 N8 O12 S4 -","4","1","","Sun, Yue; Liu, Yin-Kai; Li, Jia-Dong; Meng, Qing-Guo; Hou, Gui-Ge","Crystal structure and anti-inflammatory activity of (3E,5E)-3-(2-fluorobenzylidene)-1-((4-fluorophenyl)sulfonyl)-5-(pyridin-3-ylmethylene)piperidin-4-one, C24H18F2N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","377","379","10.1515/ncrs-2019-0683","","","0.71073","MoKα","","0.0764","0.053","","","0.1245","0.1342","","","","","","1.014","","","","has coordinates","274843","2022-05-03","08:38:12",""
"8105114","15.088","0.005","23.56","0.009","15.401","0.006","90","","112.254","0.005","90","","5067","3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H50 F2 N6 O10 S2 -","- C53 H50 F2 N6 O10 S2 -","- C212 H200 F8 N24 O40 S8 -","4","1","","Wang, An-Qi; Gao, Ru-Ning; Luan, Qing-Hao; Wang, Ze-Ping; Li, Xiao-Ming; Hou, Gui-Ge","Crystal structure and anti-inflammatory activity of (3E,5E)-3-(2-fluorobenzylidene)-1-((4-acetamidophenyl)sulfonyl)-5-(pyridin-3-ylmethylene)piperidin-4-one-methanol-hydrate (2/1/1), C53H50F2N6O10S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","381","384","10.1515/ncrs-2019-0686","","","0.71073","MoKα","","0.1047","0.0509","","","0.1142","0.1336","","","","","","0.924","","","","has coordinates","274844","2022-05-03","08:41:41",""
"8105115","4.7965","0.0012","10.053","0.002","27.57","0.006","90","","90.292","0.008","90","","1329.4","0.5","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DMAPH+.UAA-","","","- C13 H16 N4 O4 -","- C13 H16 N4 O4 -","- C52 H64 N16 O16 -","4","1","","Zhang, Xiao; Wang, Lin; Liang, Sen","Crystal structure of 4-dimethylamino-pyridin-1-ium uracil-1-acetate, C13H16N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","385","386","10.1515/ncrs-2019-0687","","","0.71073","MoKα","","0.0523","0.0426","","","0.1042","0.1115","","","","","","1.059","","","","has coordinates","274845","2022-05-03","08:44:57",""
"8105116","4.809","0.0003","9.934","0.0006","22.2437","0.0013","90","","90.138","0.008","90","","1062.64","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-FuCH2COO.(CH3)2NH2","","","- C8 H12 F N3 O4 -","- C8 H12 F N3 O4 -","- C32 H48 F4 N12 O16 -","4","1","","Zhang, Xiao; Li, Kaiyun; Liang, Sen","Crystal structure of dimethylammonium 5-fluorouracil-1-acetate, C8H12N3O4F","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","387","388","10.1515/ncrs-2019-0688","","","1.54178","CuKα","","0.0591","0.0452","","","0.1134","0.1227","","","","","","1.047","","","","has coordinates","274846","2022-05-03","08:49:35",""
"8105117","10.635","0.002","10.308","0.002","12.444","0.003","90","","101.205","0.004","90","","1338.2","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 N8 Ni O4 S2 -","- C22 H30 N8 Ni O4 S2 -","- C44 H60 N16 Ni2 O8 S4 -","2","0.5","","Chen, Kui-Kui; Huang, Jing-Tao; Lin, Long; Wu, Wei-Na","Crystal structure of bis(N′-((5-(ethoxycarbonyl)-1H-pyrrol-2-yl)methylene)-N-ethylcarbamohydrazonothioato-κ2N,O)nickel(II), C22H30N8O4S2Ni","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","389","390","10.1515/ncrs-2019-0690","","","0.71073","MoKα","","0.0667","0.0417","","","0.083","0.0937","","","","","","1.012","","","","has coordinates","274847","2022-05-03","08:53:28",""
"8105118","10.6954","0.0002","15.3868","0.0003","12.613","0.0002","90","","90.559","0.001","90","","2075.6","0.07","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 Cl F6 N4 P Rh -","- C17 H23 Cl F6 N4 P Rh -","- C68 H92 Cl4 F24 N16 P4 Rh4 -","4","1","","Gichumbi, Joel M.; Zamisa, Sizwe J.; Friedrich, Holger B.","Crystal structure of chlorido-(η 5-pentamethylcyclopentadienyl)-((bis-pyrazol-1-yl)methane-κ2 N,N′) rhodium(III) hexafluorophosphate. (C17H23ClN4RhF6P)","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","391","393","10.1515/ncrs-2019-0692","","","0.71073","MoKα","","0.0304","0.0296","","","0.0721","0.0727","","","","","","1.044","","","","has coordinates","274848","2022-05-03","08:57:34",""
"8105119","9.6533","0.0008","11.3185","0.0009","11.4469","0.001","83.747","0.003","85.81","0.002","71.445","0.002","1177.65","0.17","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N2 O3 -","- C29 H26 N2 O3 -","- C58 H52 N4 O6 -","2","1","","Han, Weiwei","The crystal structure of 5-(benzofuran-2-carbonyl)-N-cyclohexyl-5,6-dihydrophenanthridine-6-carboxamide, C29H26N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","395","396","10.1515/ncrs-2019-0693","","","0.71069","MoKα","","0.1226","0.0462","","","0.1045","0.16","","","","","","1.072","","","","has coordinates","274849","2022-05-03","09:00:47",""
"8105120","4.5947","0.0002","10.5414","0.0003","19.1611","0.0007","90","","94.084","0.002","90","","925.7","0.06","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-oxo-2H-chromen-4-yl acetate","","- C11 H8 O4 -","- C11 H8 O4 -","- C44 H32 O16 -","4","1","","Hulushe, Siya T.; Manyeruke, Meloddy H.; Hosten, Eric C.; Kaye, Perry T.; Watkins, Gareth M.; Krause, Rui W. M.","The crystal structure of 2-oxo-2H-chromen-4-yl acetate, C11H8O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","397","398","10.1515/ncrs-2019-0698","","","0.71073","MoKα","","0.046","0.0376","","","0.1043","0.1109","","","","","","1.032","","","","has coordinates","274850","2022-05-03","09:03:29",""
"8105121","5.4755","0.0012","14.377","0.003","11.143","0.003","90","","99.096","0.009","90","","866.2","0.4","150","2","150.02","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 N O6 -","- C8 H5 N O6 -","- C32 H20 N4 O24 -","4","0.5","","Li, Shu-Jing; Li, Ke; Li, Yi-Wen","The crystal structure of 2-nitroisophthalic acid, C8H5NO6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","399","400","10.1515/ncrs-2019-0704","","","0.71073","MoKα","","0.076","0.0455","","","0.117","0.1341","","","","","","1.0472","","","","has coordinates","274851","2022-05-03","09:06:23",""
"8105122","7.0607","0.0002","18.4459","0.0005","23.8955","0.0007","90","","90","","90","","3112.17","0.15","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 F N4 O -","- C19 H17 F N4 O -","- C152 H136 F8 N32 O8 -","8","1","","Chen, Yu Hang; Dan, Yan Rong; Gan, Lin Ling; Yu, Yu","Crystal structure of 3-fluoro-9-methoxy-4b,5,14,15-tetrahydro-6H-isoquinolino [2′,1′:1,6]pyrazino[2,3-b]quinoxaline, C19H17FN4O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","401","402","10.1515/ncrs-2019-0708","","x-ray","1.54184","CuKα","","0.0657","0.0543","","","0.1407","0.154","","","","","","1.026","","","","has coordinates","274865","2022-05-04","07:08:59",""
"8105123","11.2227","0.0001","12.6793","0.0001","13.8731","0.0001","90","","98.282","0.001","90","","1953.5","0.03","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 F N2 O4 S2 Sn -","- C16 H25 F N2 O4 S2 Sn -","- C64 H100 F4 N8 O16 S8 Sn4 -","4","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of (4-fluorobenzyl-κC)(bis(2-hydroxyethyl) carbamodithioato-κ2 S,S′)(2,2′-imino-diethanolato-κ3 N,O,O′)tin(IV), C16H25FN2O4S2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","403","405","10.1515/ncrs-2019-0711","","","1.54184","CuKα","","0.0208","0.0198","","","0.0499","0.0507","","","","","","1.028","","","","has coordinates","274866","2022-05-04","07:16:18",""
"8105124","9.9295","0.0011","21.755","0.002","10.2358","0.0011","90","","95.022","0.01","90","","2202.6","0.4","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 Br F3 N2 O3 S -","- C25 H18 Br F3 N2 O3 S -","- C100 H72 Br4 F12 N8 O12 S4 -","4","1","","Bai, Xian-Yong; Meng, Qing-Guo; Hou, Gui-Ge; Hou, Yun","Crystal structure and anti-inflammatory activity of (3E,5E)-1-((4-bromophenyl)sulfonyl)-3-(pyridin-4-ylmethylene)-5-(2-(trifluoromethyl)benzylidene)piperidin-4-one, C25H18BrF3N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","407","409","10.1515/ncrs-2019-0715","","","0.71073","MoKα","","0.0511","0.0373","","","0.0737","0.0795","","","","","","1.035","","","","has coordinates","274867","2022-05-04","07:18:47",""
"8105125","9.9087","0.0005","21.7843","0.001","10.2512","0.0006","90","","94.749","0.005","90","","2205.2","0.2","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 Cl F3 N2 O3 S -","- C25 H18 Cl F3 N2 O3 S -","- C100 H72 Cl4 F12 N8 O12 S4 -","4","1","","Zhou, Yan-Qiu; Hou, Gui-Ge; Meng, Qing-Guo; Hou, Yun","Crystal structure and anti-inflammatory activity of (3E,5E)-1-((4-chlorophenyl)sulfonyl)-3-(pyridin-4-ylmethylene)-5-(2-(trifluoromethyl)benzylidene)piperidin-4-one, C25H18ClF3N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","411","413","10.1515/ncrs-2019-0716","","","0.71073","MoKα","","0.0626","0.0448","","","0.0925","0.1028","","","","","","1.022","","","","has coordinates","274868","2022-05-04","07:22:27",""
"8105126","7.28276","0.00007","13.22972","0.00012","8.01007","0.00007","90","","97.5018","0.0009","90","","765.156","0.012","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-((1<i>R</i>,2<i>S</i>)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridomanganate(II), C~10~H~16~Cl~4~MnN~2~","","- C10 H16 Cl4 Mn N2 -","- C10 H16 Cl4 Mn N2 -","- C20 H32 Cl8 Mn2 N4 -","2","1","","Reiss, Guido J.","The crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridomanganate(II), C10H16Cl4MnN2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","415","417","10.1515/ncrs-2019-0717","","x-ray","0.71073","MoKα","","0.0171","0.0165","","","0.0389","0.0392","","","","","","1.001","","","","has coordinates","274869","2022-05-04","07:25:41",""
"8105127","14.1361","0.001","15.8923","0.0012","6.641","0.0006","90","","90","","90","","1491.9","0.2","150","2","149.99","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C64 H56 N8 O32 -","8","1","","Zhu, Yuanliang; Ma, Jingwei; Li, Shaofeng; Cai, Bin","The crystal structure of 3-carboxy-5-methylpyridin-1-ium-2-carboxylate, C8H7NO4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","419","420","10.1515/ncrs-2019-0722","","","0.71073","MoKα","","0.0544","0.0406","","","0.1049","0.1155","","","","","","1.025","","","","has coordinates","274870","2022-05-04","07:34:03",""
"8105128","12.04","0.009","22.596","0.018","10.344","0.01","90","","90","","90","","2814","4","296","2","296","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C30 H28 N6 O4 Zn -","- C30 H28 N6 O4 Zn -","- C120 H112 N24 O16 Zn4 -","4","0.5","","Deng, Xiao-Wei; Wu, Wei-Na","Crystal structure of bis(3-methoxy-N-(1-(pyridin-2-yl)ethylidene)benzohydrazonato κ3 O,N,N′)zinc(II), C30H28N6O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","421","422","10.1515/ncrs-2019-0726","","","0.71073","MoKα","","0.0973","0.0463","","","0.1144","0.1435","","","","","","1.053","","","","has coordinates","274871","2022-05-04","07:51:19",""
"8105129","17.497","0.004","6.8214","0.0015","14.183","0.003","90","","93.441","0.007","90","","1689.7","0.6","93","2","93","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C13 H12 Cl4 N2 O Pt -","- C13 H12 Cl4 N2 O Pt -","- C52 H48 Cl16 N8 O4 Pt4 -","4","0.5","","Kiwada, Tatsuto; Hirasaki, Aika; Odani, Akira","Crystal structure of dichlorido-(4,4′-dichloro-2,2′-bipyridine-κ2 N,N′)platinum(II) — acetone (1/1), C13H12Cl4N2PtO","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","423","424","10.1515/ncrs-2019-0728","","","0.71073","MoKα","","0.0352","0.0309","","","0.0686","0.0696","","","","","","1.082","","","","has coordinates","274872","2022-05-04","07:55:08",""
"8105130","20.159","0.003","8.3357","0.001","21.372","0.003","90","","103.13","0.003","90","","3497.4","0.8","113","2","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 F2 N2 O6 -","- C42 H42 F2 N2 O6 -","- C168 H168 F8 N8 O24 -","4","1","","Guo, Yu-Kun; Chen, Shi-Jun; Zhang, Meng-Meng; Lan, Han-Yang; Wang, Yu-Cai; Zhong, Qi-Di","Crystal structure of diethyl 6,12-bis(4-fluorophenyl)-2,10-dimethoxy-3,9-diphenyl-3,9-diazatetracyclo[6.4.0.02,7.04,11]dodecane-1,5-dicarboxylate, C42H42F2N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","425","427","10.1515/ncrs-2019-0729","","","0.71073","MoKα","","0.0632","0.0414","","","0.0986","0.1083","","","","","","1.015","","","","has coordinates","274873","2022-05-04","07:58:26",""
"8105131","9.3625","0.0006","12.7558","0.0007","14.5965","0.0009","68.833","0.002","80.891","0.002","69.242","0.002","1519.15","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H32 N4 O7 -","- C35 H32 N4 O7 -","- C70 H64 N8 O14 -","2","1","","Pan, Ying-Qi; Yu, Meng; Zhang, Yu; Dong, Wen-Kui","Synthesis and crystal structure of (1E,3E)-2-hydroxy-5-methylisophthalaldehyde O,O-di(2-((((E)-(2-hydroxynaphthalen-1-yl)methylene)amino)oxy)ethyl) dioxime, C35H32N4O7","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","429","431","10.1515/ncrs-2019-0730","","","0.71073","MoKα","","0.0683","0.0477","","","0.1362","0.15","","","","","","1.019","","","","has coordinates","274874","2022-05-04","08:14:16",""
"8105132","8.468","0.0005","9.7578","0.0005","10.2101","0.0006","104.578","0.005","111.882","0.006","106.589","0.005","686.77","0.09","250","2","250.15","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C30 H22 N6 O4 -","2","1","","Li, Jin; Chen, Yan; Wu, Ziqing; Liu, Yali; Yin, Dachuan; Zuo, Zhenyu","The crystal structure of 2-phenyl-4,6-bis(prop-2-yn-1-yloxy)-1,3,5-triazine, C15H11N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","433","435","10.1515/ncrs-2019-0733","","x-ray","1.54184","CuKα","","0.0474","0.0394","","","0.1144","0.1261","","","","","","1.084","","","","has coordinates","274875","2022-05-04","08:17:56",""
"8105133","5.9023","0.0009","14.554","0.002","22.801","0.004","90","","90.801","0.002","90","","1958.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-(2-{4-[(4-bromophenyl)methyl]piperazin-1-yl}ethoxy)-2H-chromen-2-one","","- C22 H23 Br N2 O3 -","- C22 H23 Br N2 O3 -","- C88 H92 Br4 N8 O12 -","4","1","","Joubert, Jacques; Foka, Germaine B.","Crystal structure of 7-(2-{4-[(4-bromophenyl)methyl]piperazin-1-yl}ethoxy)-2H-chromen-2-one, C22H23BrN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","437","439","10.1515/ncrs-2019-0738","","","0.71073","MoKα","","0.0484","0.0388","","","0.0921","0.0961","","","","","","1.054","","","","has coordinates","274876","2022-05-04","08:21:36",""
"8105134","8.359","0.007","12.394","0.01","15.189","0.012","95.757","0.014","90.593","0.016","106.961","0.015","1496","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 Br2 Cd N8 O2 -","- C30 H28 Br2 Cd N8 O2 -","- C60 H56 Br4 Cd2 N16 O4 -","2","1","","Lv, Liangjun; Lin, Long; Wu, Wei-Na","Crystal structure of bis-[N-(3-ethyl-1-pyrazin-2-yl-ethylidene)-3-bromo-benzoic acid-hydrazonato-κ3 O,N,N′)]-cadmium(II), C30H28N8O2Br2Cd","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","441","443","10.1515/ncrs-2019-0744","","","0.71073","MoKα","","0.0908","0.0467","","","0.0862","0.0998","","","","","","1.022","","","","has coordinates,has disorder","274877","2022-05-04","08:26:21",""
"8105135","7.1983","0.0006","7.3732","0.0006","9.6439","0.0008","81.489","0.005","88.634","0.004","71.065","0.004","478.66","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 F O3 -","- C12 H9 F O3 -","- C24 H18 F2 O6 -","2","1","","Obi, Grace; Zamisa, Sizwe J.; Heerden, Fanie R. van","Crystal structure of 6-(4-fluorophenyl)-4-methoxy-2H-pyran-2-one, C12H9FO3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","445","446","10.1515/ncrs-2019-0752","","","0.71073","MoKα","","0.0393","0.0362","","","0.099","0.1015","","","","","","1.046","","","","has coordinates","274878","2022-05-04","08:29:45",""
"8105136","10.8905","0.0006","9.9903","0.0005","12.7101","0.0006","90","","104.912","0.002","90","","1336.28","0.12","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Liu, Peilian; Chen, Lijun; Chen, Jieping; Huang, Guiyuan; Sun, Ying; Zhou, Guohua","Crystal structure of 3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoic acid, C14H18O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","447","449","10.1515/ncrs-2019-0754","","","0.71073","MoKα","","0.0642","0.0502","","","0.1375","0.1504","","","","","","1.014","","","","has coordinates","274879","2022-05-04","08:33:26",""
"8105137","6.5459","0.0003","11.2565","0.0005","11.8529","0.0005","106.938","0.002","105.657","0.002","106.628","0.002","738.71","0.06","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H19 B Br N O3 -","- C13 H19 B Br N O3 -","- C26 H38 B2 Br2 N2 O6 -","2","1","","Zhang, Ji-Run; Deng, Hao; Liu, Tong","The crystal structure of 3-bromo-6-methoxy-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, C13H19BBrNO3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","451","452","10.1515/ncrs-2019-0756","","","0.71073","MoKα","","0.0369","0.0286","","","0.0607","0.0641","","","","","","1.031","","","","has coordinates","274880","2022-05-04","08:36:23",""
"8105138","10.899","0.002","11.002","0.002","11.847","0.002","90","","112.74","0.03","90","","1310.2","0.5","163","2","163.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H36 O8 -","- C30 H36 O8 -","- C60 H72 O16 -","2","1","","Chen, Xiao F.; Li, Peng; Xu, Juan; Wang, Hui P.; Ning, Li F.","The crystal structure of 6-methyl-3,20-dioxo-19-norpregna-4,6-dien-17-yl acetate–2,4-dihydroxybenzoic acid (1/1), C30H36O8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","453","455","10.1515/ncrs-2019-0758","","","0.71073","MoKα","","0.0546","0.0504","","","0.1117","0.1161","","","","","","1.052","","","","has coordinates","274881","2022-05-04","08:39:34",""
"8105139","7.629","0.004","8.893","0.005","14.193","0.008","88.603","0.006","81.093","0.006","83.715","0.006","945.6","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cl Cu N3 O4 -","- C20 H16 Cl Cu N3 O4 -","- C40 H32 Cl2 Cu2 N6 O8 -","2","1","","Xin, Wang; Shuli, Li; Liguo, Yang; Haixiang, Song; Yongsheng, Niu","The crystal structure of (5-chloro-2-hydroxy-N-(4-methoxy-2-oxidobenzylidene)benzohydrazonato-κ3 N,O,O′)-(pyridine-κ1N)copper(II), C20H16ClCuN3O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","457","458","10.1515/ncrs-2019-0761","","","0.71073","MoKα","","0.0267","0.0245","","","0.0694","0.0709","","","","","","1.044","","","","has coordinates","274882","2022-05-04","08:43:01",""
"8105140","15.727","0.004","5.0572","0.0012","15.452","0.004","90","","105.007","0.004","90","","1187.1","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N5 O -","- C11 H13 N5 O -","- C44 H52 N20 O4 -","4","1","","Gao, Xiao-Li","Crystal structure of (E)-2-cyano-N′-(1-(3-ethylpyrazin-2-yl)ethylidene)acetohydrazide, C11H3N5O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","459","460","10.1515/ncrs-2019-0764","","","0.71073","MoKα","","0.0839","0.0408","","","0.0952","0.1123","","","","","","1.01","","","","has coordinates,has disorder","274883","2022-05-04","08:47:33",""
"8105141","20.1788","0.0004","13.0247","0.0004","18.0172","0.0005","90","","119.874","0.002","90","","4106.1","0.2","173","2","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H56 O P2 -","- C51 H56 O P2 -","- C204 H224 O4 P8 -","4","0.5","","Nyalungu, Nonjabulo; Alapour, Saba; Friedrich, Holger B.; Bala, Muhammad D.","Crystal structure of (2,7-dihexyl-9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphane), C51H56OP2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","461","463","10.1515/ncrs-2019-0769","","x-ray","0.71073","MoKα","","0.0459","0.0363","","","0.0914","0.0981","","","","","","1.041","","","","has coordinates","274884","2022-05-04","08:50:46",""
"8105142","11.1861","0.0014","8.1418","0.001","20.461","0.003","90","","97.433","0.001","90","","1847.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-((bis(pyridin-2-ylmethyl)amino)methyl)quinolin-8-ol","","- C22 H20 N4 O -","- C22 H20 N4 O -","- C88 H80 N16 O4 -","4","1","","Jia, Liu; Xu-Liang, Nie; Zhong-Ping, Yin; Da-Yong, Peng; Xu-Gen, Shi","Crystal structure of 5-((bis(pyridin-2-ylmethyl)amino)methyl)quinolin-8-ol, C22H20N4O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","465","467","10.1515/ncrs-2019-0774","","","0.71073","MoKα","","0.0422","0.0357","","","0.0926","0.1002","","","","","","1.051","","","","has coordinates","274885","2022-05-04","09:12:04",""
"8105143","9.1325","0.0007","11.5184","0.0009","11.6535","0.0009","74.682","0.007","84.253","0.006","76.72","0.007","1149.67","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 F N3 O2 S -","- C28 H20 F N3 O2 S -","- C56 H40 F2 N6 O4 S2 -","2","1","","Alotibi, Mohammed F.; Abdel-Wahab, Bakr F.; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","Crystal structure of 3-(2-(5-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazol-4-yl)-2H-chromen-2-one, C28H20FN3O2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","469","471","10.1515/ncrs-2019-0776","","","0.71073","MoKα","","0.1025","0.0574","","","0.1166","0.1438","","","","","","1.034","","","","has coordinates","274886","2022-05-04","09:14:50",""
"8105144","11.8934","0.0005","12.0041","0.0004","12.4578","0.0005","68.718","0.004","64.205","0.004","87.053","0.003","1480.09","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H34 Er2 F12 N4 O12 -","- C66 H34 Er2 F12 N4 O12 -","- C66 H34 Er2 F12 N4 O12 -","1","0.5","","Yu-Fei, Zhong; Wen-Min, Wang; Xiong-Xin, Peng; Guang-Ming, Bao; Chun-Yan, Hu; Hou-Qun, Yuan","The crystal structure of [(tetra-μ 2-2,6-difluorobenzoato-κ 2 O:O′)-bis-(2,6-difluorobenzoato-κ 2 O:O′)-bis-(1,10-phenanthroline-κ 2 N:N′)]dierbium(III) C66H34N4O12F12Er2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","473","475","10.1515/ncrs-2019-0777","","","0.71073","MoKα","","0.0426","0.0326","","","0.0577","0.0626","","","","","","1.061","","","","has coordinates","274887","2022-05-04","09:27:54",""
"8105145","11.737","0.01","9.309","0.008","23.72","0.02","90","","90","","90","","2592","4","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H20 Cl2 N8 Ni O2 -","- C26 H20 Cl2 N8 Ni O2 -","- C104 H80 Cl8 N32 Ni4 O8 -","4","0.5","","Hao, Zhen-Li; Huang, Cun-Han","Crystal structure of bis(3-chloro-N-(1-(pyrazin-2-yl)ethylidene)benzohydrazonato-k3 N,N′,O)nickel(II), C26H20N8O2Cl2Ni","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","477","478","10.1515/ncrs-2019-0778","","","0.71073","MoKα","","0.0668","0.0361","","","0.0788","0.0934","","","","","","1.046","","","","has coordinates","274911","2022-05-05","07:45:33",""
"8105146","8.1464","0.0007","10.3861","0.0008","13.2507","0.0009","84.898","0.006","89.413","0.006","80.351","0.007","1100.88","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N5 O -","- C27 H21 N5 O -","- C54 H42 N10 O2 -","2","1","","Alotibi, Mohammed F.; Abdel-Wahab, Bakr F.; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","Crystal structure of (E)-3-(3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)-1-phenylprop-2-en-1-one, C27H21N5O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","479","481","10.1515/ncrs-2019-0779","","","0.71073","MoKα","","0.1258","0.0648","","","0.1334","0.1726","","","","","","1.049","","","","has coordinates","274912","2022-05-05","07:48:44",""
"8105147","8.0984","0.0004","17.3203","0.001","9.6802","0.0004","90","","124.031","0.003","90","","1125.26","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 N3 O2 S -","- C9 H13 N3 O2 S -","- C36 H52 N12 O8 S4 -","4","1","","Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Ghabbour, Hazem A.; Obaidullaha, Ahmad J.","Crystal structure of (E)-N′-((4-aminophenyl)sulfonyl)-N,N-dimethylformimidamide, C9H13N3O2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","483","484","10.1515/ncrs-2019-0781","","","0.71073","MoKα","","0.0776","0.0504","","","0.1159","0.1275","","","","","","1.066","","","","has coordinates","274913","2022-05-05","07:54:46",""
"8105148","9.2401","0.0002","10.0187","0.0003","12.6892","0.0003","78.921","0.001","81.596","0.001","83.654","0.001","1136.3","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H26 F6 I N2 P Ru -","- C19 H26 F6 I N2 P Ru -","- C38 H52 F12 I2 N4 P2 Ru2 -","2","1","","Gichumbi, Joel M.; Omondi, Bernard; Friedrich, Holger B.","Crystal structure of η6-p-cymene-iodido-(N-isopropyl-1-(pyridin-2-yl)methanimine-κ2 N,N′)ruthenium(II) hexafluorophosphate(V), C19H26IN2F6Ru","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","485","487","10.1515/ncrs-2019-0786","","x-ray","0.71073","MoKα","","0.0195","0.0174","","","0.0429","0.044","","","","","","1.042","","","","has coordinates","274914","2022-05-05","07:58:35",""
"8105149","23.6958","0.0012","5.5334","0.0002","15.9712","0.0009","90","","132.329","0.003","90","","1548.16","0.15","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H15 I N2 O -","- C17 H15 I N2 O -","- C68 H60 I4 N8 O4 -","4","1","","El-Azab, Adel S.; Ghabbour, Hazem A.; Abdel-Aziz, Alaa A.-M.; Alkahtani, Hamad M.","Crystal structure of 6-iodo-3-phenyl-2-propylquinazolin-4(3H)-one, C17H15IN2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","489","491","10.1515/ncrs-2019-0788","","","0.71073","MoKα","","0.1139","0.0464","","","0.0782","0.0931","","","","","","1.013","","","","has coordinates","274915","2022-05-05","08:02:14",""
"8105150","8.7913","0.0002","19.0856","0.0005","13.9417","0.0004","90","","91.017","0.002","90","","2338.87","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 F3 N O2 Sn -","- C27 H22 F3 N O2 Sn -","- C108 H88 F12 N4 O8 Sn4 -","4","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Low temperature redetermination of the crystal structure of catena-poly[[tri-4-fluorobenzyltin(IV)]μ2-pyridine-4-carboxylato-κ2 N:O], {C27H22F3NO2Sn}n","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","493","496","10.1515/ncrs-2019-0791","","","1.54184","CuKα","","0.0376","0.0324","","","0.0836","0.0873","","","","","","1.069","","","","has coordinates","274916","2022-05-05","08:06:12",""
"8105151","13.37","0.002","10.0304","0.0014","17.913","0.002","90","","93.95","0.004","90","","2396.5","0.6","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl4 N4 Zn -","- C20 H26 Cl4 N4 Zn -","- C80 H104 Cl16 N16 Zn4 -","4","1","","Shi, Xiao-Ming; Li, Shu-Jing; Xiao, Li-Na; Li, Meng-Jing","Crystal structure of bis(2-propyl-1H-benzo[d]imidazol-3-ium) tetrachloridozincate(II), C10H13Cl4N2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","497","499","10.1515/ncrs-2019-0794","","","0.71073","MoKα","","0.0814","0.0461","","","0.0882","0.1038","","","","","","1.044","","","","has coordinates","274917","2022-05-05","08:17:21",""
"8105152","10.4813","0.0005","6.8663","0.0004","17.2605","0.0009","90","","90","","90","","1242.2","0.11","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Z)-3-hydrazono-5-nitroindolin-2-one","","- C10 H12 N4 O4 S -","- C10 H12 N4 O4 S -","- C40 H48 N16 O16 S4 -","4","0.5","","Al-Obaid, Abdulrahman M.; Syed, Saeed Ali; Ahmed, Bari; Hosten, Eric C.","The crystal structure of (Z)-3-hydrazono-5-nitroindolin-2-one – dimethyl sulfoxide (1/1), C8H6N4O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","501","502","10.1515/ncrs-2019-0806","","","0.71073","MoKα","","0.0598","0.0506","","","0.1496","0.159","","","","","","1.073","","","","has coordinates","274918","2022-05-05","08:21:10",""
"8105153","10.218","0.007","10.49","0.007","11.101","0.008","79.59","0.011","65.913","0.012","66.785","0.01","998","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N10 O2 Zn -","- C18 H16 N10 O2 Zn -","- C36 H32 N20 O4 Zn2 -","2","1","","Gao, Xiao-Li; Geng, Rong-Li; Chen, Pai","Crystal structure of bis-[N-(1-pyrazin-2-yl-ethylidene)-cyanoacetic acid-hydrazonato-κ3 O,N,N′)]-zinc(II), C18H16N10O2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","503","504","10.1515/ncrs-2019-0813","","","0.71073","MoKα","","0.0695","0.0516","","","0.123","0.1323","","","","","","1.087","","","","has coordinates","274919","2022-05-05","08:24:57",""
"8105154","8.379","0.003","11.509","0.002","12.817","0.003","71.272","0.003","81.342","0.004","77.553","0.003","1138.6","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H17 F6 N O S2 -","- C23 H17 F6 N O S2 -","- C46 H34 F12 N2 O2 S4 -","2","1","","Wu, Xiaoxiao; Liu, Hongliang; Yang, Yuping; Pu, Shouzhi","Crystal structure and photochromism of 1-(2,5-dimethyl-3-thienyl)-2-[2-methyl-5-(benzaldoxime)-3-thienyl] perfluorocyclopentene, C23H17F6NOS2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","505","507","10.1515/ncrs-2019-0815","","","0.71073","MoKα","","0.0715","0.0489","","","0.1143","0.1296","","","","","","1.044","","","","has coordinates,has disorder","274920","2022-05-05","08:28:00",""
"8105155","8.38373","0.00015","14.5293","0.0002","10.5147","0.0002","90","","101.064","0.0018","90","","1256.99","0.04","289.51","0.1","289.51","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 Ag N O4 S -","- C15 H8 Ag N O4 S -","- C60 H32 Ag4 N4 O16 S4 -","4","1","","Wang, Jian-Ge.","Crystal structure of catena-poly[(μ2-3-(benzo[d]thiazol-2-yl)-5-carboxybenzoato-κ 2 N:O)silver(I)], C15H8AgNO4S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","509","510","10.1515/ncrs-2019-0676","","x-ray","0.71073","MoKα","","0.0386","0.034","","","0.0707","0.0724","","","","","","1.101","","","","has coordinates","274921","2022-05-05","08:33:35",""
"8105156","9.4869","0.0001","11.2213","0.0001","12.0819","0.0001","74.608","0.001","78.441","0.001","86.82","0.001","1214.9","0.02","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H70 Cu N8 O12 -","- C48 H70 Cu N8 O12 -","- C48 H70 Cu N8 O12 -","1","0.5","","Shin, Jiehye; Kang, Jaeun; Ok, Kang Min; Do, Junghwan","Crystal structure of bis(4-phenylpiperazin-1-ium) bis(2-(4-phenylpiperazin-1-yl)succinato-κ2O,O′)copper(II) tetrahydrate, C48H70CuN8O12, [C10H14N2]2[Cu(C14H17N2O4)2] ⋅ 4 H2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","511","513","10.1515/ncrs-2019-0706","","","0.71073","MoKα","","0.0701","0.046","","","0.1114","0.1239","","","","","","1.037","","","","has coordinates","274922","2022-05-05","08:36:48",""
"8105157","25.5446","0.0014","7.38025","0.00019","18.845","0.001","90","","136.543","0.01","90","","2443.6","0.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H76 Ca O19 S2 -","- C44 H76 Ca O19 S2 -","- C88 H152 Ca2 O38 S4 -","2","0.5","","Ding, Yuan-Min; Li, Rui-Peng; Chang, Ying-Jie; Zhao, Jie; Liu, Hong-Min; Li, Wen","Crystal structure of triaqua-bis(2-(6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)-1-(2-oxo-2,5-dihydrofuran-3-yl)ethane-1-sulfonato-κ2 O,O′)calcium(II) – ethanol (1/2), C44H76CaO19S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","515","517","10.1515/ncrs-2019-0709","","x-ray","1.54184","CuKα","","0.0425","0.0419","","","0.115","0.1161","","","","","","1.038","","","","has coordinates","274923","2022-05-05","09:12:21",""
"8105158","8.21802","0.00018","7.42687","0.00017","34.2757","0.0008","90","","91.149","0.002","90","","2091.57","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N O2 S -","- C25 H21 N O2 S -","- C100 H84 N4 O8 S4 -","4","1","","Wang, Chang; Bai, Tao; Liu, Zhaod-Di","The crystal structure of ethyl 5-(4-(diphenylamino)phenyl)thiophene-2-carboxylate, C25H21NO2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","519","520","10.1515/ncrs-2019-0725","","","0.71073","MoKα","","0.0519","0.0388","","","0.1168","0.1337","","","","","","1.061","","","","has coordinates","274924","2022-05-05","09:15:34",""
"8105159","8.3319","0.0004","10.0666","0.0005","11.4042","0.0006","107.213","0.005","99.394","0.004","95.54","0.004","890.71","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 Br N5 -","- C7 H6 Br N5 -","- C28 H24 Br4 N20 -","4","2","","Mou, Xiao-Dong; Xu, Yang-Rong; Liu, Li; Zhang, Xiao-Fan; Meng, Qing-Guo","The crystal structure of 5-bromo-2-(2-methyl-2H-tetrazol-5-yl)pyridine, C7H6BrN5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","521","522","10.1515/ncrs-2019-0732","","x-ray","0.71073","MoKα","","0.0873","0.0452","","","0.0825","0.0972","","","","","","1.023","","","","has coordinates","274925","2022-05-05","09:18:59",""
"8105160","16.632","0.002","7.2033","0.0009","12.9261","0.0017","90","","112.87","","90","","1426.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl N2 O4 -","- C15 H13 Cl N2 O4 -","- C60 H52 Cl4 N8 O16 -","4","1","","Xin, Wang; Shuli, Li; Liguo, Yang; Dayong, Tian; Yongsheng, Niu","The crystal structure of (E)-5-chloro-2-hydroxy-N′-(2-hydroxy-4-methoxybenzylidene)benzohydrazide, C15H13ClN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","523","525","10.1515/ncrs-2019-0734","","","0.71073","MoKα","","0.0533","0.0409","","","0.1154","0.126","","","","","","1.035","","","","has coordinates","275093","2022-05-06","08:24:28",""
"8105161","20.297","0.007","10.122","0.003","9.078","0.003","90","","95.675","0.004","90","","1855.9","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 N9 O2 -","- C19 H17 N9 O2 -","- C76 H68 N36 O8 -","4","0.5","","Liguo, Yang; Juntao, Shi; Zhen, Zhang; Fang, Wang; Dayong, Tian","The crystal structure of (2Z,2′Z)-N′,N′′′′-(pyridine-2,6-dicarbonyl)dipicolinohydrazonamide, C19H17N9O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","527","529","10.1515/ncrs-2019-0735","","","0.71073","MoKα","","0.0718","0.0467","","","0.1065","0.1205","","","","","","1.024","","","","has coordinates","275094","2022-05-06","08:27:49",""
"8105162","26.2504","0.0011","8.6981","0.0004","13.3064","0.0006","90","","107.659","0.002","90","","2895.1","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H20 F6 N6 S2 -","- C29 H20 F6 N6 S2 -","- C116 H80 F24 N24 S8 -","4","0.5","","Li, Guoyin","Photochromic properties and crystal structure of 3,3′-(perfluorocyclopent-1-ene-1,2-diyl)bis(5-(4-(azidomethyl)phenyl)-2-methylthiophene), C29H20F6N6S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","531","533","10.1515/ncrs-2019-0753","","","0.71073","MoKα","","0.0552","0.0436","","","0.1201","0.1314","","","","","","1.084","","","","has coordinates,has disorder","275095","2022-05-06","08:31:10",""
"8105163","8.7419","0.0015","22.717","0.004","9.6256","0.0016","90","","112.546","0.002","90","","1765.4","0.5","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl2 Fe N3 O4 -","- C15 H15 Cl2 Fe N3 O4 -","- C60 H60 Cl8 Fe4 N12 O16 -","4","1","","Liguo, Yang; Zhen, Zhang; Yongsheng, Niu; Fang, Wang; Dayong, Tian","Crystal structure of aqua-dichlorido-(4-(((3-ethoxy-2-oxidobenzylidene)hydrazono)(oxido)methyl)pyridin-1-ium-κ3 N,O,O′)iron(III), C15H16Cl2N3O4Fe","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","535","537","10.1515/ncrs-2019-0760","","","0.71073","MoKα","","0.03","0.0269","","","0.0761","0.0783","","","","","","1.068","","","","has coordinates,has disorder","275096","2022-05-06","08:34:12",""
"8105164","24.174","0.0004","11.3727","0.0002","11.7918","0.0002","90","","90","","90","","3241.84","0.1","293","","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H14 Br8 N2 Ni O10 -","- C26 H14 Br8 N2 Ni O10 -","- C104 H56 Br32 N8 Ni4 O40 -","4","0.5","","Li, Yong-Shuang; Han, Min-Le","Crystal structure of catena-poly[diaqua-(μ2-4,4′-bipyridine-κ2 N:N′)-bis(2,3,4,5-tetrabromo-6-carboxybenzoato-κ1 O)-nickel(II)], C26H14Br8NiN2O10","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","539","540","10.1515/ncrs-2019-0766","","x-ray","1.54184","CuKα","","0.032","0.03","","","0.0788","0.0804","","","","","","1.052","","","","has coordinates","275097","2022-05-06","08:38:08",""
"8105165","16.445","0.002","10.092","0.0014","23.865","0.003","90","","100.115","0.008","90","","3899.1","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 Eu2 N10 O12 -","- C36 H32 Eu2 N10 O12 -","- C144 H128 Eu8 N40 O48 -","4","0.5","","Yan, Jin-Long","Crystal structure of diethanol-κ1 O-bis(μ2-N-((2-oxidonaphthalen-1-yl)methylene)pyrazine-2-carbohydrazonato-κ5 N,O,O′:O′:N′)-bis(nitrato-κ2 O,O′)dieuropium(III), C36H32N10O12Eu2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","541","542","10.1515/ncrs-2019-0772","","","1.54178","CuKα","","0.0928","0.0687","","","0.1736","0.2065","","","","","","1.111","","","","has coordinates","275098","2022-05-06","09:01:29",""
"8105166","4.9752","0.0011","14.167","0.003","10.999","0.002","90","","99.066","0.005","90","","765.6","0.3","150","2","150.01","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","0.5","","Cai, Bin; Zhu, Meng-En; Meng, Yu-Ning; Li, Kun","The crystal structure of 2-aminoisophthalic acid, C8H7NO4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","543","544","10.1515/ncrs-2019-0783","","","0.71073","MoKα","","0.0837","0.0571","","","0.1495","0.163","","","","","","1.115","","","","has coordinates","275099","2022-05-06","09:07:13",""
"8105167","8.3962","0.0008","11.1939","0.0019","11.596","0.002","64.877","0.017","85.781","0.011","86.894","0.01","983.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 F2 O4 -","- C24 H20 F2 O4 -","- C48 H40 F4 O8 -","2","1","","Xia, Chun; Xie, Qiang; Ruan, Ban-Feng; Zhou, Ben-Guo","Crystal structure of (E)-2-(4-((3,4-difluorobenzyl)oxy)styryl)-4,6-dimethoxybenzaldehyde, C24H20F2O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","545","546","10.1515/ncrs-2019-0787","","","0.71073","MoKα","","0.1294","0.0658","","","0.1309","0.175","","","","","","1.033","","","","has coordinates","275100","2022-05-06","09:19:58",""
"8105168","12.931","0.003","10.486","0.002","23.004","0.005","90","","104.8","0.03","90","","3015.7","1.2","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H14 O -","- C23 H14 O -","- C184 H112 O8 -","8","2","","Li, Jing-Yang; Miao, Bao-Xi; Zhao, Yun; Zhang, Li-Fang","Crystal structure of 2-benzoylpyrene, C23H14O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","547","549","10.1515/ncrs-2019-0790","","","0.71073","MoKα","","0.0755","0.0524","","","0.1233","0.1375","","","","","","1.067","","","","has coordinates","275101","2022-05-06","09:22:53",""
"8105169","7.3048","0.0001","12.954","0.0003","28.7076","0.0006","90","","96.699","0.001","90","","2697.95","0.09","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Cl F7 N2 O P Ru -","- C25 H29 Cl F7 N2 O P Ru -","- C100 H116 Cl4 F28 N8 O4 P4 Ru4 -","4","1","","Gichumbi, Joel M.; Omondi, Bernard; Friedrich, Holger B.","Crystal structure of chlorido-(η 6-p-cymene)-(N-(2-fluorophenyl)-1-(pyridin-2-yl)methanimine-κ 2 N,N′)ruthenium(II) – acetone (1/1), C22H23ClN2F7OPRu","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","551","553","10.1515/ncrs-2019-0793","","x-ray","0.71073","MoKα","","0.0205","0.0196","","","0.0474","0.0479","","","","","","1.136","","","","has coordinates","275102","2022-05-06","09:27:33",""
"8105170","11.9715","0.0014","7.5753","0.0007","7.4498","0.0008","90","","102.302","0.004","90","","660.09","0.12","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Br N O2 -","- C6 H4 Br N O2 -","- C24 H16 Br4 N4 O8 -","4","1","","Jia, Hua-Li; Zhou, Juan; Wang, Xin; Zhao, Hui; Feng, Bo-Fang","The crystal structure of 2-bromoisonicotinic acid, C6H4BrNO2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","555","556","10.1515/ncrs-2019-0798","","","0.71073","MoKα","","0.0438","0.029","","","0.0582","0.0635","","","","","","1.0345","","","","has coordinates","275103","2022-05-06","09:30:29",""
"8105171","10.4564","0.0013","11.3627","0.0014","15.3946","0.0019","82.106","0.002","75.318","0.002","77.704","0.002","1722","0.4","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H34 N2 O4 -","- C44 H34 N2 O4 -","- C88 H68 N4 O8 -","2","1","","Li, Xue; Zhang, Meng-Meng; Chong, Ying-Zhi; Cui, Li-Hua; Ma, Yu; Feng, Fu-Min","Crystal structure of 1,3,5,7-tetraphenyl-8-(N-phenylformamido)-2-oxa-5-azabicyclo[4.2.0]oct -3-en-7-yl benzoate, C44H34N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","557","559","10.1515/ncrs-2019-0799","","","0.71073","MoKα","","0.0684","0.042","","","0.0935","0.1086","","","","","","1.015","","","","has coordinates","275104","2022-05-06","09:33:33",""
"8105217","9.4256","0.0009","10.1906","0.0009","11.6539","0.0009","101.896","0.007","104.77","0.008","93.271","0.008","1052.02","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 N3 O4 S -","- C21 H21 N3 O4 S -","- C42 H42 N6 O8 S2 -","2","1","","Yu, Xiang; Chen, Ya-Fang; Huang, Guo-Juan; Zhang, You-Fang; Yang, Wu-De","Synthesis and crystal structure of 4-(3-acetyl-5-(thiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl)-7-(diethylamino)-2H-chromen-2-one, C21H21N3O4S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","561","562","10.1515/ncrs-2019-0807","","x-ray","1.54184","CuKα","","0.056","0.0469","","","0.126","0.1354","","","","","","1.053","","","","has coordinates,has disorder","275330","2022-05-11","08:22:24",""
"8105218","7.465","0.0002","10.6954","0.0002","22.7513","0.0005","90","","90","","90","","1816.49","0.07","293","","293","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H12 F4 N2 Ni O6 -","- C18 H12 F4 N2 Ni O6 -","- C72 H48 F16 N8 Ni4 O24 -","4","0.5","","Li, Yan-Hong; Han, Min-Le","Crystal structure of poly[diaqua-(μ2-4,4′-bipyridine-κ2 N:N′)-(μ2-3,4,5,6-tetrafluorophthalato-κ2 O:O′)nickel(II)], C18H12F4NiN2O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","563","564","10.1515/ncrs-2019-0808","","x-ray","1.54184","CuKα","","0.0337","0.0304","","","0.0867","0.0898","","","","","","1.052","","","","has coordinates","275331","2022-05-11","08:26:36",""
"8105219","3.7133","0.0001","9.7214","0.0004","15.5765","0.0006","90","","96.121","0.002","90","","559.08","0.03","150","2","150","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C16 H8 O4 -","- C16 H8 O4 -","- C32 H16 O8 -","2","1","","Luo, Peng; Chittiboyina, Amar G.; Pan, Wei-Gao; Wei, Wan-Xing","Crystal structure of 4-hydroxynaphtho[2,3-b]benzofuran-6,11-dione, C16H8O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","565","567","10.1515/ncrs-2019-0809","","","1.54178","CuKα","","0.0513","0.0506","","","0.1264","0.1274","","","","","","1.097","","","","has coordinates","275332","2022-05-11","08:56:17",""
"8105220","21.3971","0.0008","15.2249","0.0006","11.261","0.0005","90","","92.125","0.004","90","","3666","0.3","128.15","","128.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H48 N2 O5 -","- C45 H48 N2 O5 -","- C180 H192 N8 O20 -","4","1","","Wang, Xiaoxia; Zhang, Danyang; Zhuang, Pengyu; Zhang, Yao; Xu, Jiale","The crystal structure of 3,10-bis(4-methoxyphenyl)-6,12-dibenzyl-2,9-acetyl-6,12-diazapentacyclo[6.3.1.02,7.04,11.05,9]dodecane – acetone (1/1), C45H48N2O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","569","570","10.1515/ncrs-2019-0814","","x-ray","0.71073","MoKα","","0.0732","0.0519","","","0.1175","0.1308","","","","","","1.032","","","","has coordinates","275333","2022-05-11","09:07:21",""
"8105221","8.9886","0.0008","8.2159","0.0007","20.164","0.002","90","","92.58","0.009","90","","1487.6","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E<i>)-2-(((2-(1H-indol-3-yl)ethyl)iminio)methyl)-6-bromophenolate","","- C17 H15 Br N2 O -","- C17 H15 Br N2 O -","- C68 H60 Br4 N8 O4 -","4","1","","Xi-Shi, Tai; Xiao-Jing, Zhou; Li-Li, Liu; Shu-Hua, Cao; Li-Hua, Wang","The crystal structure of (E)-2-(((2-(1H-indol-3-yl)ethyl)iminio)methyl)-6-bromophenolate, C17H15N2BrO","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","571","572","10.1515/ncrs-2019-0817","","x-ray","0.71073","MoKα","","0.0493","0.037","","","0.0666","0.0716","","","","","","1.05","","","","has coordinates","275334","2022-05-11","09:10:41",""
"8105222","7.8375","0.0003","7.8877","0.0004","12.0841","0.0006","85.956","0.002","89.833","0.002","68.269","0.001","692","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 Cd N3 O9 -","- C8 H14 Cd N3 O9 -","- C16 H28 Cd2 N6 O18 -","2","1","","Zheng, Xinging; Li, Li; Ran, Jingwen","Crystal structure of catena-poly[diaqua-(μ2-oxalyl dihydrazide-κ4 N,O:N′,O′)-bis(μ2-pyridine-2,3-dicarboxylato-κ3 N,O,O′)dicadmium(II)] hexahydrate, C16H28O18N6Cd2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","573","574","10.1515/ncrs-2019-0823","","","0.71073","MoKα","","0.0173","0.0159","","","0.0384","0.0395","","","","","","1.109","","","","has coordinates","275335","2022-05-11","09:21:16",""
"8105223","23.8455","0.0006","9.4617","0.0002","21.094","0.0005","90","","115.73","0.001","90","","4287.33","0.18","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H24 O17 Pb5 -","- C48 H24 O17 Pb5 -","- C192 H96 O68 Pb20 -","4","0.5","","Zhou, Fang-Xia","Crystal structure of poly[tetra-(μ4-naphthalene-1,8-dicarboxylato-κ4 O:O,O′: O′′:O′′,O′′′)-(μ4-oxo-κ4 O:O:O:O) penta-lead(II)], C48H24O17Pb5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","575","577","10.1515/ncrs-2019-0824","","","0.71073","MoKα","","0.0438","0.029","","","0.0541","0.058","","","","","","1.014","","","","has coordinates","275336","2022-05-11","09:24:40",""
"8105224","17.277","0.003","4.7288","0.0008","17.776","0.003","90","","90","","90","","1452.3","0.4","296","2","296.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H15 Bi O3 -","- C16 H15 Bi O3 -","- C64 H60 Bi4 O12 -","4","1","","Tan, Nianyuan; Wu, Shuisheng; Lan, Donghui; Au, Chak-Tong; Yi, Bing","Crystal structure of 5H-dibenzo[c,f][1,5]oxabismocin-12 (7H)-yl acetate, C16H15O3Bi","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","579","581","10.1515/ncrs-2019-0825","","","0.71073","MoKα","","0.0327","0.0292","","","0.0661","0.0678","","","","","","1.025","","","","has coordinates,has disorder","275337","2022-05-11","09:27:56",""
"8105225","11.4268","0.0016","5.125","0.0008","23.569","0.004","90","","91.738","0.006","90","","1379.6","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Cl2 N4 O5 -","- C12 H6 Cl2 N4 O5 -","- C48 H24 Cl8 N16 O20 -","4","1","","Cai, Cao; Jingqi, Wang; Min, Li; Jun, Chen; Jianlong, Wang","The crystal structure of 2-(4-chloro-6-nitrophenyl)-1-(4-chloro-3-nitrophenyl)diazene 1-oxide, C12H6Cl2N4O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","583","584","10.1515/ncrs-2019-0832","","","0.71073","MoKα","","0.0995","0.0555","","","0.1292","0.1632","","","","","","1.081","","","","has coordinates","275338","2022-05-11","09:31:16",""
"8105226","11.813","0.01","21.433","0.017","10.03","0.008","90","","90","","90","","2539","4","296","2","296","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C28 H26 N8 Ni O2 -","- C28 H26 N8 Ni O2 -","- C112 H104 N32 Ni4 O8 -","4","0.5","","Yang, Xue-Mei; Zhu, Tao; Lin, Long","Crystal structure of bis(3-methyl-N-(1-(pyrazin-2-yl)ethylidene)benzohydrazonato-κ3 O,N,N′)nickel(II), C28H26N8O2Ni","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","585","586","10.1515/ncrs-2019-0833","","","0.71073","MoKα","","0.0904","0.0457","","","0.0838","0.0992","","","","","","1.003","","","","has coordinates","275339","2022-05-11","09:33:51",""
"8105227","10.6137","0.0002","20.1559","0.0004","31.4991","0.0005","90","","90","","90","","6738.6","0.2","128.15","","128.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H36 Cl2 N2 O2 -","- C40 H36 Cl2 N2 O2 -","- C320 H288 Cl16 N16 O16 -","8","1","","Wang, Xiaoxia; Zhang, Danyang; Zhuang, Pengyu; Zhang, Yao; Xu, Jiale","Crystal structure of 3,10-bis(4-chlorophenyl)-6,12-dibenzyl-2,9-acetyl-6,12-diazapentacyclo[6.3.1.02,7.04,11.05,9]-dodecane, C40H36Cl2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","587","588","10.1515/ncrs-2019-0834","","x-ray","0.71073","MoKα","","0.0613","0.0471","","","0.1155","0.1242","","","","","","1.023","","","","has coordinates","275357","2022-05-12","07:32:10",""
"8105228","13.7767","0.0001","7.9925","0.0001","21.249","0.0002","90","","93.149","0.001","90","","2336.2","0.04","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N2 O7 Pb -","- C26 H20 N2 O7 Pb -","- C104 H80 N8 O28 Pb4 -","4","1","","Dai, Ben-Cai; Liu, Chang-Chun; Zhou, Yang; Chen, Jin; Fu, Yang; Zhao, Pei-Zheng","Crystal structure of bis[(μ2-4⋯O,O′:O′)-(4-hydroxybenzoato-κ2 O,O′)-(1,10-phenanthroline-κ2 N,N′)]-di-lead(II)μ-4-hydroxybenzoato-κ3 O,O′:O′;κ3 O,O′:O′-bis-[(4-hydroxybenzoato-κ2 O,O′)bis(1,10-phenanthroline-κ2 N,N′)di-lead(II)] monohydrate, C52H36N4O12Pb2 ⋅ H2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","589","591","10.1515/ncrs-2019-0835","","x-ray","1.54184","CuKα","","0.023","0.022","","","0.0574","0.0582","","","","","","1.074","","","","has coordinates","275358","2022-05-12","07:36:51",""
"8105229","6.1183","0.0002","7.5688","0.0002","32.5016","0.0007","90","","90.672","0.002","90","","1504.99","0.07","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Co F4 N O6 -","- C14 H9 Co F4 N O6 -","- C56 H36 Co4 F16 N4 O24 -","4","1","","Han, Min-Le; Li, Xiao-Dong; Li, Yan-Hong","Crystal structure of poly[diaqua-(μ3-3,4,5,6-tetrafluoro-phthalato-κ3O:O′:O′′)-(μ2-1,2-bis(4-pyridyl)ethene-κ2 N:N′)cobalt(II)], C14H9CoF4NO6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","593","594","10.1515/ncrs-2019-0837","","x-ray","1.54184","CuKα","","0.045","0.0398","","","0.1016","0.1037","","","","","","1.106","","","","has coordinates","275359","2022-05-12","07:41:54",""
"8105230","10.2949","0.0009","11.1616","0.0009","19.2902","0.0018","90","","90","","90","","2216.6","0.3","100.02","","100.02","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C15 H10 O3 -","- C15 H10 O3 -","- C120 H80 O24 -","8","2","","Mzozoyana, Vuyisa; Zamisa, Sizwe J.","Crystal structure of 7-hydroxy-4-phenyl-2H-chromen-2-one, C15H10O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","595","597","10.1515/ncrs-2019-0839","","x-ray","0.71073","MoKα","","0.0356","0.0302","","","0.0751","0.0783","","","","","","1.023","","","","has coordinates","275360","2022-05-12","07:54:46",""
"8105231","8.2441","0.0005","11.6409","0.0006","12.0107","0.0009","64.328","0.006","70.778","0.006","86.678","0.004","976.09","0.13","100","10","100","10","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N4 O6 -","- C20 H24 N4 O6 -","- C40 H48 N8 O12 -","2","1","","Li, Peizhe; Liu, Lei; Lou, Benyong; Zhan, Hongbing","Crystal structure of 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione 4-hydroxybenzoic acid, C20H24N4O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","599","600","10.1515/ncrs-2019-0841","","","0.71073","MoKα","","0.0854","0.0671","","","0.1587","0.1702","","","","","","1.077","","","","has coordinates","275361","2022-05-12","08:04:38",""
"8105232","16.8032","0.0017","13.278","0.0013","17.9636","0.0018","90","","90","","90","","4007.9","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N6 O7 Zn -","- C17 H16 N6 O7 Zn -","- C136 H128 N48 O56 Zn8 -","8","1","","Tao, Defu; Pang, Haixia; Hu, Chuanqun; Tang, Qiang","Crystal structure of catena-poly[(μ2-1,5-dimethyl-2-phenyl-4-((pyridin-4-ylmethylene)amino)-1,2-dihydro-3H-pyrazol-3-one-κ2 N:O)-bis(nitrato-κ1 O)zinc(II)], C17H16N6O7Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","601","603","10.1515/ncrs-2019-0844","","","0.71073","MoKα","","0.0354","0.0269","","","0.0836","0.0879","","","","","","1.07","","","","has coordinates","275362","2022-05-12","08:12:04",""
"8105233","8.2501","0.001","12.7943","0.0012","7.1562","0.0007","90","","113.912","0.013","90","","690.53","0.14","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(2-amino-6-pyridinecarboxylate-aqua)magnesium(II)","","- C12 H14 Mg N4 O6 -","- C12 H14 Mg N4 O6 -","- C24 H28 Mg2 N8 O12 -","2","0.5","","Xi-Shi, Tai; Xiao-Jing, Zhou; Li-Li, Liu; Shu-Hua, Cao; Li-Hua, Wang","The crystal structure of diaqua-bis(6-aminopicolinato-κ2 N,O)magnesium(II), C12H14O6N4Mg","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","605","606","10.1515/ncrs-2019-0845","","x-ray","0.71073","MoKα","","0.0472","0.0386","","","0.0866","0.0921","","","","","","1.06","","","","has coordinates","275363","2022-05-12","09:18:05",""
"8105234","9.7478","0.0004","20.6247","0.0007","19.0897","0.0011","90","","92.767","0.005","90","","3833.4","0.3","108.4","0.2","108.4","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cl2 N9 Ni O12 -","- C33 H39 Cl2 N9 Ni O12 -","- C132 H156 Cl8 N36 Ni4 O48 -","4","1","","Zhang, Jun-Chao; Chen, Jiang-Li; Nie, Feng-Mei","Crystal structure of (pyridine-2-carboxamide-κ2 N,O)-[tris((1H-benzo[d]imidazol-2-yl)methyl)amine-κ4 N,N′,N′′,N′′′]nickel(II) diperchlorate — methanol (1/3), C33H39Cl2N9NiO12","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","607","609","10.1515/ncrs-2019-0847","","","0.71073","MoKα","","0.0784","0.0527","","","0.1008","0.1143","","","","","","1.036","","","","has coordinates,has disorder","275364","2022-05-12","09:21:48",""
"8105235","5.4881","0.0003","11.6495","0.0006","13.1533","0.0006","84.979","0.002","84.37","0.002","80.602","0.002","823.46","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Co F6 N4 O6 -","- C32 H26 Co F6 N4 O6 -","- C32 H26 Co F6 N4 O6 -","1","0.5","","Wang, Lei; Ma, Leijuan","Crystal structure of catena-poly[diaqua-bis(3-(4-trifluoromethyl-phenyl)-acrylato-κO 1)-(μ2-1,4-bis(1-imidazolyl)benzene-κ2 N 3:N3′)cobalt(II)], C32H26CoF6N4O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","611","613","10.1515/ncrs-2019-0852","","","0.71073","MoKα","","0.044","0.0381","","","0.1033","0.1069","","","","","","1.067","","","","has coordinates","275365","2022-05-12","09:24:00",""
"8105236","8.8121","0.0004","10.6053","0.0004","12.7365","0.0005","80.943","0.002","70.89","0.002","78.105","0.002","1095.32","0.08","302","2","301.72","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 N O6 S -","- C22 H27 N O6 S -","- C44 H54 N2 O12 S2 -","2","1","","Yu, Qing; Zhang, Qi-Long; Xu, Hong; Huang, Ya-Li","Crystal structure of (E)-3-(2-(2-hydroxy-4-methoxystyryl)-3,3-dimethyl-3H-indol-1-ium-1-yl)propane-1-sulfonate monohydrate, C22H25NO5S⋅H2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","615","616","10.1515/ncrs-2019-0854","","","0.71073","MoKα","","0.0476","0.0378","","","0.0881","0.0949","","","","","","1.017","","","","has coordinates","275366","2022-05-12","09:26:50",""
"8105237","19.6175","0.0012","7.2887","0.0005","9.3499","0.0006","90","","90","","90","","1336.91","0.15","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","bis(N-oxy-2-(1H-tetrazol-1-yl) acetamide)-diaqua zinc","","- C6 H12 N10 O6 Zn -","- C6 H12 N10 O6 Zn -","- C24 H48 N40 O24 Zn4 -","4","0.5","","Wang, Hui; Xiao, Zi-Jing","The crystal structure of bis(N-oxy-2-(1H-tetrazol-1-yl) acetamide κ2 O,O′)-diaqua-zinc(II), C6H12ZnN10O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","617","619","10.1515/ncrs-2019-0856","","","0.71073","MoKα","","0.0367","0.0276","","","0.0605","0.064","","","","","","1.113","","","","has coordinates","275392","2022-05-13","07:28:59",""
"8105238","4.8032","0.0001","19.5545","0.0005","19.6915","0.0006","90","","90.64","0.001","90","","1849.39","0.08","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 Cl N4 O6 -","- C19 H13 Cl N4 O6 -","- C76 H52 Cl4 N16 O24 -","4","1","","Akintayo, Damilola Caleb; Zamisa, Sizwe J.; Omondi, Bernard; Jonnalagadda, Sreekantha B.","Crystal structure of (E)-4-((4-chlorophenylimino)methyl)pyridinium 3,5-dinitrobenzoate, C19H13ClN4O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","621","623","10.1515/ncrs-2019-0860","","x-ray","0.71073","MoKα","","0.043","0.0369","","","0.0944","0.1011","","","","","","1.034","","","","has coordinates","275393","2022-05-13","07:36:03",""
"8105239","9.2965","0.0006","15.3678","0.0011","16.6358","0.0011","102.76","0.001","90.385","0.002","94.112","0.003","2311.4","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Cl2 N4 O2 Zn -","- C24 H20 Cl2 N4 O2 Zn -","- C96 H80 Cl8 N16 O8 Zn4 -","4","2","","Adeleke, Adesola A.; Zamisa, Sizwe J.; Omondi, Bernard","Crystal structure of dichlorido-bis((E)-2-((pyridin-4-ylmethylene)amino)phenol)zinc(II), C24H20Cl2N4O2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","625","628","10.1515/ncrs-2019-0863","","x-ray","0.71073","MoKα","","0.034","0.026","","","0.0616","0.0653","","","","","","1.027","","","","has coordinates","275394","2022-05-13","07:40:31",""
"8105240","17.3126","0.0019","17.3126","0.0019","19.725","0.002","90","","90","","90","","5912.1","1.1","223","2","223","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","<i>cyclo</i>[tetrachlorido-bis(μ~2~-<i>p</i>-xylylenediamine)dipalladium(II)] dimethyl sulfoxide solvate","","- C20 H36 Cl4 N4 O2 Pd2 S2 -","- C20 H36 Cl4 N4 O2 Pd2 S2 -","- C160 H288 Cl32 N32 O16 Pd16 S16 -","8","0.5","","Ha, Kwang","Crystal structure of cyclo-[tetrachlorido-bis(μ2-p-xylylenediamine-κ2 N:N′)dipalladium(II)] dimethyl sulfoxide solvate, C20H36Cl4N4O2Pd2S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","629","630","10.1515/ncrs-2019-0867","","","0.71073","MoKα","","0.0436","0.0284","","","0.0492","0.0536","","","","","","1.106","","","","has coordinates","275395","2022-05-13","07:43:35",""
"8105241","20.3523","0.0017","11.2575","0.0009","10.1604","0.0008","90","","104.434","0.001","90","","2254.4","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 F O3 -","- C15 H9 F O3 -","- C120 H72 F8 O24 -","8","2","","Mzozoyana, Vuyisa; Zamisa, Sizwe J.","Crystal structure of 4-(3-fluorophenyl)-7-hydroxy-2H-chromen-2-one, C15H9FO3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","631","633","10.1515/ncrs-2019-0869","","","0.71073","MoKα","","0.0376","0.034","","","0.093","0.0961","","","","","","1.057","","","","has coordinates,has disorder","275396","2022-05-13","07:52:08",""
"8105242","7.3721","0.0001","13.30639","0.00019","17.1682","0.0002","90","","97.2301","0.0012","90","","1670.74","0.04","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Cl N5 O5 -","- C15 H16 Cl N5 O5 -","- C60 H64 Cl4 N20 O20 -","4","1","","Yang, Huanhuan; Shi, Fanyu; Xu, Qingqing; Wang, Jinghai; Xing, Ai-Ping","Crystal structure of (E)-2-((2-(pyrimidin-2-yl)hydrazono)methyl)quinolin-1-ium perchlorate – methanol (1/1), C15H16N5O5Cl","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","635","637","10.1515/ncrs-2019-0873","","x-ray","1.54184","CuKα","","0.0388","0.0357","","","0.0996","0.1023","","","","","","1.042","","","","has coordinates","275397","2022-05-13","07:56:51",""
"8105243","11.0273","0.0002","22.1495","0.0003","13.3766","0.0002","90","","107","0.001","90","","3124.46","0.09","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H60 Cl4 N16 O13 Zn2 -","- C57 H60 Cl4 N16 O13 Zn2 -","- C114 H120 Cl8 N32 O26 Zn4 -","2","1","","Cuihong, Zhang; Dengwu, Wang; Yuan, Ge; Liguo, Yang; Zongcheng, Miao","The crystal structure of bis(N-(amino(pyridin-2-yl)methylene)-5-chloro-2-hydroxybenzohydrazonato-κ3 N,N′,O)zinc(II) – methanol (2/5), C57H60Cl2N16O13Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","639","641","10.1515/ncrs-2019-0874","","","0.71073","MoKα","","0.0338","0.0316","","","0.0793","0.0806","","","","","","0.982","","","","has coordinates,has disorder","275398","2022-05-13","08:02:34",""
"8105244","29.1768","0.0005","6.0734","0.0001","18.0123","0.0003","90","","101.226","0.001","90","","3130.75","0.09","273","2","273.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H40 N4 O4 -","- C35 H40 N4 O4 -","- C140 H160 N16 O16 -","4","0.5","","Mu, Hao-Ran; Wang, Ji-Fa; Bian, Ruo-Nan; Dong, Wen-Kui","Synthesis and crystal structure of 4,4′-di(4-pyridyl)-6,6′-di(tert-butyl)-2,2′-[propylenedioxybis(nitrilomethylidyne)]diphenol, C35H40N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","643","644","10.1515/ncrs-2019-0876","","","1.54178","CuKα","","0.0453","0.0422","","","0.1151","0.1185","","","","","","1.054","","","","has coordinates","275399","2022-05-13","08:10:14",""
"8105245","9.632","0.002","10","0.003","22.76","0.006","90","","93.196","0.018","90","","2188.8","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O4 S3 -","- C22 H18 N2 O4 S3 -","- C88 H72 N8 O16 S12 -","4","1","","Zeng, Jieqiong; Zuo, Zhenyu; Huang, Weiping; Huang, Shaojun","Crystal structure of (3E,3′E)-3,3′-((1,3,4-thiadiazole-2,5-diyl)bis(sulfanediyl))bis(4-hydroxy-4-phenylbut-3-en-2-one), C22H18N2O4S3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","645","646","10.1515/ncrs-2019-0878","","","0.71073","MoKα","","0.0483","0.0354","","","0.0878","0.0933","","","","","","1.064","","","","has coordinates","275400","2022-05-13","08:27:04",""
"8105246","9.3954","0.0001","10.2747","0.0001","12.8743","0.0002","99.427","0.001","94.247","0.001","95.817","0.001","1214.51","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H22 Cl3 N S2 Sn -","- C23 H22 Cl3 N S2 Sn -","- C46 H44 Cl6 N2 S4 Sn2 -","2","1","","Lo, Kong Mun; Mun, Lee See; Tiekink, Edward R.T.","Crystal structure of (N-benzyl-N-methyl-dithiocarbamato-κ2 S,S′)di(4-chlorobenzyl)chloridotin(IV), C23H22Cl3NS2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","647","649","10.1515/ncrs-2019-0881","","","1.54184","CuKα","","0.0173","0.0167","","","0.0442","0.0446","","","","","","1.022","","","","has coordinates","275401","2022-05-13","08:31:05",""
"8105247","7.9362","0.0006","14.1331","0.0007","7.7734","0.0006","90","","96.701","0.006","90","","865.93","0.1","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H26 Br Na O7 -","- C12 H26 Br Na O7 -","- C24 H52 Br2 Na2 O14 -","2","1","","Klein, Wilhelm","Crystal structure of (1,4,7,10,13,16-hexaoxacyclooctadecane-κ6 O 6) sodium bromide hydrate, [Na(18-crown-6)]Br ⋅ H2O, C12H26BrNaO7","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","651","653","10.1515/ncrs-2019-0883","","","0.71073","MoKα","","0.0338","0.0257","","","0.0569","0.0598","","","","","","1.083","","","","has coordinates","275402","2022-05-13","08:35:55",""
"8105248","7.9002","0.0013","9.9371","0.0016","10.6852","0.0017","101.39","0.002","93.169","0.002","104.901","0.002","789.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Crystal structure of 7-ethoxyl-6,8-difluoro-4-oxo-1-phenyl-1,4-dihydro- quinoline-3-carboxylic acid","","- C18 H13 F2 N O4 -","- C18 H13 F2 N O4 -","- C36 H26 F4 N2 O8 -","2","1","","Huang, Jian-Xiong; Huang, Cui-Xin; Huang, Guo-Ping; Xiong, Yuan-Zhen; Huang, Jian-Ping","Crystal structure of 7-ethoxyl-6,8-difluoro-4-oxo-1-phenyl-1,4-dihydro-quinoline-3-carboxylic acid, C18H13F2N1O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","655","657","10.1515/ncrs-2019-0885","","","0.71073","MoKα","","0.0762","0.0567","","","0.1092","0.1223","","","","","","1.067","","","","has coordinates,has disorder","275403","2022-05-13","09:05:38",""
"8105249","9.1278","0.0005","9.5892","0.0007","15.5255","0.001","79.827","0.006","89.131","0.005","78.358","0.005","1309.74","0.15","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 Cl N2 P Pd -","- C30 H26 Cl N2 P Pd -","- C60 H52 Cl2 N4 P2 Pd2 -","2","1","","Liu, Hui; Lou, Xin-Hua","Crystal structure of chlorido (2-(4-ethylphenyl)pyrimidine-k2 C,N)(triphenylphosphane-kP) palladium(II), C30H26ClN2PPd","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","659","661","10.1515/ncrs-2019-0886","","","0.71073","MoKα","","0.0447","0.0342","","","0.0651","0.0706","","","","","","1.056","","","","has coordinates","275404","2022-05-13","09:08:49",""
"8105250","7.6927","0.0003","12.4813","0.0005","15.0763","0.0005","90","","92.862","0.003","90","","1445.74","0.09","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 F2 I N O3 -","- C11 H15 F2 I N O3 -","- C44 H60 F8 I4 N4 O12 -","4","1","","Dang, Limin; Yang, Huiqiong","Crystal structure of 18-crown-6 – 1,4-diiodotetrafluorobenzene – acetonitrile (1/1/2), C22H30F4I2N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","663","664","10.1515/ncrs-2019-0890","","","0.71073","MoKα","","0.0298","0.0242","","","0.0556","0.0581","","","","","","1.063","","","","has coordinates","275405","2022-05-13","09:12:26",""
"8105251","6.341","0.0013","7.343","0.0015","10.241","0.002","94.06","0.03","103.89","0.03","113.13","0.03","418.3","0.2","295","4","295.3","","","","","","","","","3","P -1","-P 1","2","","","","- C8 H12 O3 -","- C8 H12 O3 -","- C16 H24 O6 -","2","1","","Li, Zhuang-Yu; Liu, E.; Liu, Xiao-Jing; Jian, Fang-Fang","Crystal structure of diisobutyl 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylate, C16H24O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","665","666","10.1515/ncrs-2019-0891","","","0.71073","MoKα","","0.0797","0.0546","","","0.147","0.1691","","","","","","1.0824","","","","has coordinates","275406","2022-05-13","09:15:19",""
"8105252","18.9877","0.0014","19.7813","0.0015","21.0699","0.0014","90","","103.345","0.002","90","","7700.2","1","193.15","","193.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H106 N12 O32 Zn3 -","- C60 H66 N12 O12 Zn3 -","- C240 H264 N48 O48 Zn12 -","4","1","","Li, Bing-Feng; Dong, Tong-Min; Xu, Xi-Ting; Gu, Yang; Gong, Lei; Zhou, Wan-Ying; Zhong, Kai-Long","Crystal structure of poly[[tris(μ2-cis-1,2-cyclohexanedicarboxylato)-κ2 O, O′]-bis[μ3-1,3,5-tris[(1H-imidazol-1-yl)methyl]benzene-κ3 N, N′,N′′]-trizinc(II)] – water (1/20), C60H106N12O32Zn3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","667","670","10.1515/ncrs-2019-0892","","","0.71073","MoKα","","0.1629","0.0626","","","0.1405","0.1752","","","","","","1.019","","","","has coordinates,has disorder","275407","2022-05-13","09:19:28",""
"8105253","10.927","0.003","13.542","0.003","15.744","0.004","90","","107.36","0.004","90","","2223.6","1","294.15","","294.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-((trifluoromethyl) sulfinyl)-1<i>H<i>-pyrazole-3-carboxamide tetrahydrofurandisolvate","","- C16 H14 Cl2 F6 N4 O3 S -","- C16 H14 Cl2 F6 N4 O3 S -","- C64 H56 Cl8 F24 N16 O12 S4 -","4","1","","Chen, Lianqing; Yang, Gengtao; Wu, Zhongda","The synthesis and crystal structure of 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-((trifluoromethyl)sulfinyl)-1H-pyrazole-3-carboxamide–tetrahydrofuran (1/1), C16H14N4Cl2F6O3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","671","673","10.1515/ncrs-2019-0893","","","0.71073","MoKα","","0.0713","0.048","","","0.1325","0.1471","","","","","","1.064","","","","has coordinates,has disorder","275408","2022-05-13","09:22:10",""
"8105254","10.6234","0.0001","16.0898","0.0001","13.2405","0.0001","90","","92.853","0.001","90","","2260.37","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H34 N2 S4 Sn -","- C16 H34 N2 S4 Sn -","- C64 H136 N8 S16 Sn4 -","4","1","","Haezam, Farah Natasha; Awang, Normah; Kamaludin, Nurul Farahana; Tiekink, Edward R.T.","Crystal structure of dimethylbis(diisopropyldithiocarbamato-κ2 S,S′)tin(IV), C16H34N2S4Sn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","675","677","10.1515/ncrs-2019-0894","","x-ray","1.54184","CuKα","","0.0206","0.0197","","","0.0508","0.0513","","","","","","1.029","","","","has coordinates","275409","2022-05-13","09:25:39",""
"8105255","6.427","0.0013","8.3458","0.0017","8.412","0.0017","107.08","0.03","106.43","0.03","107.37","0.03","376.2","0.2","294","","294","","","","","","","","","3","P -1","-P 1","2","","","","- C7 H10 O3 -","- C7 H10 O3 -","- C14 H20 O6 -","2","1","","Li, Zhuang-Yu; Liu, E.; Liu, Xiao-Jing; Jian, Fang-Fang","Crystal structure of diisopropyl 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylate, C14H20O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","679","680","10.1515/ncrs-2019-0895","","","0.71073","MoKα","","0.064","0.0521","","","0.1401","0.1541","","","","","","1.1001","","","","has coordinates","275411","2022-05-13","09:28:31",""
"8105256","13.6099","0.001","12.0571","0.0009","16.2351","0.0013","90","","112.714","0.002","90","","2457.5","0.3","150.01","","150.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Cl2 F6 N3 O4 S -","- C22 H15 Cl2 F6 N3 O4 S -","- C88 H60 Cl8 F24 N12 O16 S4 -","4","1","","Chen, Lianqing; Zhang, Long; Tang, Chenglong; Wu, Zhongda","The synthesis and crystal structure of ethyl (E)-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-((2-methoxybenzylidene)amino)-4-((trifluoromethyl)sulfinyl)-1H-pyrazole-3-carboxylate, C22H15N3Cl2F6O4S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","681","684","10.1515/ncrs-2019-0898","","","0.71073","MoKα","","0.0664","0.0419","","","0.0955","0.1087","","","","","","1.033","","","","has coordinates,has disorder","287884","2023-11-30","11:50:21",""
"8105257","8.8052","0.0001","10.886","0.0001","18.6705","0.0002","90","","99.273","0.001","90","","1766.24","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 N3 O S2 -","- C17 H27 N3 O S2 -","- C68 H108 N12 O4 S8 -","4","2","","Hui-Qing, He; Fang-Yun, Dong; Han-Hui, Zhang; Jing-Min, Ye; Chun-Can, Tan; Xu-Hong, Jiang; Zi-Zhao, Zheng; Xiao-Jing, Lv; Xing-An, Cheng","The crystal structure of a matrine derivative, 13-(methylamine-1-yl) carbodithioate matrine, C17H27N3OS2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","685","687","10.1515/ncrs-2019-0899","","x-ray","1.54184","CuKα","","0.0306","0.0305","","","0.0809","0.081","","","","","","1.031","","","","has coordinates","275435","2022-05-16","07:22:56",""
"8105258","5.8633","0.0001","12.2597","0.0002","14.5517","0.0003","82.96","0.001","85.058","0.002","86.436","0.004","1032.85","0.03","99.99","","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cu N2 O4 -","- C26 H20 Cu N2 O4 -","- C52 H40 Cu2 N4 O8 -","2","1","","Olagboye, Sulaiman A.; Yusuf, Tunde L.; Oladipo, Segun D.; Zamisa, Sizwe J.","Crystal structure of bis(2-hydroxy-6-((phenylimino)methyl)phenolato-κ2 N,O)copper(II), C26H20CuN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","689","692","10.1515/ncrs-2019-0900","","","0.71073","MoKα","","0.0308","0.0264","","","0.0704","0.0732","","","","","","1.046","","","","has coordinates","275436","2022-05-16","07:25:59",""
"8105259","14.467","0.003","7.4629","0.0014","8.9512","0.0018","90","","104.759","0.004","90","","934.5","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 F N2 O3 -","- C9 H7 F N2 O3 -","- C36 H28 F4 N8 O12 -","4","1","","Zhao, Yong-Li; Ma, Lan-Lan; Liu, Xue-Di; Sui, Yi; Chai, Hui-Fang","The crystal structure of 2-p-fluorophenyl-5-dihydroxymethyl-1,3,4-oxadiazole, C9H7FN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","693","694","10.1515/ncrs-2019-0901","","","0.71073","MoKα","","0.0635","0.0421","","","0.103","0.1173","","","","","","1.032","","","","has coordinates","275437","2022-05-16","07:29:17",""
"8105260","19.08967","0.00006","15.87805","0.00005","15.13748","0.00005","90","","90","","90","","4588.27","0.03","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H16 Cl4 N2 Sn -","- C24 H16 Cl4 N2 Sn -","- C192 H128 Cl32 N16 Sn8 -","8","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of dichloridobis(4-chlorophenyl-κC 1)(1,10-phenanthroline-κ2 N,N′)tin(IV), C24H16Cl4N2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","695","697","10.1515/ncrs-2019-0903","","","1.54184","CuKα","","0.0174","0.0173","","","0.0473","0.0474","","","","","","0.971","","","","has coordinates","275438","2022-05-16","07:32:45",""
"8105261","9.8452","0.0001","12.2087","0.0001","17.4284","0.0001","90","","102.224","0.001","90","","2047.35","0.03","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H38 Br2 N2 O2 Sn2 -","- C46 H38 Br2 N2 O2 Sn2 -","- C92 H76 Br4 N4 O4 Sn4 -","2","0.5","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of bis{bromido-triphenyltin(IV)}(μ2-[4,4′-bipyridine]1,1′-dioxide-κ2 O:O′), C46H38Br2N2O2Sn2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","699","701","10.1515/ncrs-2019-0904","","","1.54184","CuKα","","0.0163","0.016","","","0.0424","0.0427","","","","","","0.994","","","","has coordinates","275439","2022-05-16","07:35:44",""
"8105262","15.954","0.008","8.246","0.004","14.383","0.007","90","","116.313","0.008","90","","1696.1","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cl N3 O2 -","- C20 H14 Cl N3 O2 -","- C80 H56 Cl4 N12 O8 -","4","1","","Li, Xiao-Hong; Wu, Wei-Na","Crystal structure of 2-(5-chloro-quinolin-8-yloxy)-N-quinolin-8-yl-acetamide, C20H14N3O2Cl","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","703","704","10.1515/ncrs-2019-0907","","","0.71073","MoKα","","0.046","0.0331","","","0.0826","0.0909","","","","","","1.024","","","","has coordinates","275440","2022-05-16","07:40:09",""
"8105263","10.666","0.004","18.538","0.006","19.585","0.007","90","","104.036","0.007","90","","3757","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H41 Co N9 O5 -","- C41 H41 Co N9 O5 -","- C164 H164 Co4 N36 O20 -","4","1","","Liu, Pan; Wu, Wei-Na","Crystal structure of bis(N-(1-(3-ethylpyrazin-2-yl)ethylidene)-3-hydroxy-2-naphthohydrazonato-κ3 N,N′,O)cobalt(II) — dimethylformamide (1/1), C41H41N9O5Co","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","705","707","10.1515/ncrs-2019-0908","","","0.71073","MoKα","","0.075","0.042","","","0.0916","0.1062","","","","","","1.016","","","","has coordinates,has disorder","275441","2022-05-16","07:42:51",""
"8105264","12.9537","0.0009","15.2802","0.001","17.1041","0.0011","78.748","0.001","79.684","0.001","79.27","0.001","3226.4","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 Cu N8 O4 S2 -","- C30 H34 Cu N8 O4 S2 -","- C120 H136 Cu4 N32 O16 S8 -","4","2","","Guo, Fang-Fang; Wu, Wei-Na; Wang, Yuan","Crystal structure of bis[2-(1-(3-ethylpyrazin-2-yl)ethylidene)-1-tosylhydrazin-1-ido-κ3-N,N′,O]copper(II), C30H34N8O4S2Cu","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","709","711","10.1515/ncrs-2019-0909","","","0.71073","MoKα","","0.1003","0.0488","","","0.0979","0.1178","","","","","","1.018","","","","has coordinates,has disorder","275442","2022-05-16","07:46:25",""
"8105265","9.9885","0.0008","11.5836","0.0008","11.6133","0.0009","76.342","0.006","89.821","0.006","71.435","0.007","1233.96","0.17","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H24 Cl N2 P Pd -","- C29 H24 Cl N2 P Pd -","- C58 H48 Cl2 N4 P2 Pd2 -","2","1","","Liu, Hui; Lou, Xin-Hua","Crystal structure of (2-p-tolylpyrimidine-κ2 C,N)(triphenylphosphane-κ P) palladium(II), C29H24ClN2PPd","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","713","715","10.1515/ncrs-2019-0913","","","1.54184","CuKα","","0.0391","0.0337","","","0.0803","0.0841","","","","","","1.056","","","","has coordinates","275443","2022-05-16","08:00:58",""
"8105266","10.793","0.0005","11.561","0.0005","12.488","0.0005","73.05","0.01","88.87","0.01","66.06","0.01","1353.62","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Caesium(I)-Bis(1,4,7,10-tetraoxacyclododecane)-triiodide","","- C16 H32 Cs I3 O8 -","- C16 H32 Cs I3 O8 -","- C32 H64 Cs2 I6 O16 -","2","1","","Bloukh, Samir Haj; Edis, Zehra","Halogen bonding in crystal structure of bis(1,4,7,10-tetraoxacyclododecane-κ4O,O′,O′′,O′′′)cesium triiodide, C16H32CsI3O8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","717","719","10.1515/ncrs-2019-0915","","","0.71073","MoKα","","0.0739","0.0578","","","0.18","0.1875","","","","","","1.624","","","","has coordinates","275444","2022-05-16","08:12:50",""
"8105267","11.5523","0.0017","16.12","0.002","13.0228","0.0018","90","","114.297","0.002","90","","2210.3","0.5","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H10 Cl2 F6 N4 O2 S -","- C20 H10 Cl2 F6 N4 O2 S -","- C80 H40 Cl8 F24 N16 O8 S4 -","4","1","","Chen, Lianqing; Tang, Chenglong; Long, Zhang; Wu, Zhongda","The synthesis and crystal structure of N-(3-cyano-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl)-2-phenylacetamide, C20H10N4Cl2F6O2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","721","723","10.1515/ncrs-2019-0919","","","0.71073","MoKα","","0.0848","0.0578","","","0.1519","0.1699","","","","","","1.029","","","","has coordinates,has disorder","275445","2022-05-16","08:16:17",""
"8105268","6.4488","0.0011","14.922","0.002","7.7868","0.0012","90","","100.941","0.005","90","","735.7","0.2","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 F3 N O2 -","- C7 H4 F3 N O2 -","- C28 H16 F12 N4 O8 -","4","1","","Liu, Gui-Jie; Zhu, Meng-En; Hou, Jin-Rui; Cai, Bin","The crystal structure of 4-(trifluoromethyl)nicotinic acid, C7H4F3NO2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","725","726","10.1515/ncrs-2019-0921","","","0.71073","MoKα","","0.0668","0.0431","","","0.1051","0.1158","","","","","","1.058","","","","has coordinates","275446","2022-05-16","08:24:49",""
"8105269","8.0795","0.0006","7.2294","0.0005","17.5898","0.0014","90","","98.354","0.008","90","","1016.52","0.13","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O S -","- C11 H13 N O S -","- C44 H52 N4 O4 S4 -","4","1","","Lin, Qiao; Lin, Zirui; Chen, Xiuwen; Li, Bin","Crystal structure of 3-(2-methylbenzyl)thiazolidin-2-one, C11H13ONS","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","727","728","10.1515/ncrs-2019-0922","","x-ray","0.71073","MoKα","","0.0382","0.0332","","","0.0792","0.0825","","","","","","1.087","","","","has coordinates","275447","2022-05-16","09:06:03",""
"8105270","8.6599","0.0008","11.6216","0.0012","10.0903","0.0009","90","","93.393","0.002","90","","1013.73","0.17","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F3 N O2 -","- C11 H8 F3 N O2 -","- C44 H32 F12 N4 O8 -","4","1","","Yi, Qin; Zhu, Xiong; Zhang, Ji-Run; Zhou, Zhi-Xu; Zhao, Chun-Shen","The crystal structure of 2,2,2-trifluoro-1-(isoquinolin-1-yl)ethane-1,1-diol, C11H8F3NO2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","729","730","10.1515/ncrs-2019-0932","","","0.71073","MoKα","","0.0474","0.0352","","","0.0894","0.0984","","","","","","1.056","","","","has coordinates","275448","2022-05-16","09:08:16",""
"8105271","7.2512","0.0006","7.3916","0.0006","7.492","0.0007","65.065","0.004","68.858","0.004","64.919","0.004","321.6","0.05","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H4 Br N O2 -","- C6 H4 Br N O2 -","- C12 H8 Br2 N2 O4 -","2","1","","Li, Shu-Jing; Li, Ke; Li, Yi-Wen","The crystal structure of 3-bromoisonicotinic acid, C6H4BrNO2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","731","732","10.1515/ncrs-2019-0933","","","0.71073","MoKα","","0.0447","0.0369","","","0.0973","0.1017","","","","","","1.091","","","","has coordinates","275449","2022-05-16","09:12:37",""
"8105272","13.1766","0.0011","5.1019","0.0004","22.602","0.002","90","","91.081","0.003","90","","1519.2","0.2","150","2","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 N2 O5 -","- C6 H6 N2 O5 -","- C48 H48 N16 O40 -","8","1","","Jia, Hua-Li; Wang, Xin; Dai, Li-Yan; Wang, Li-Ke; Ren, Xiao-Yue","The crystal structure of 5-nitropicolinic acid monohydrate, C6H6N2O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","733","734","10.1515/ncrs-2019-0934","","","0.71073","MoKα","","0.0447","0.0334","","","0.0867","0.0961","","","","","","1.068","","","","has coordinates","275450","2022-05-16","09:24:26",""
"8105273","11.281","0.002","12.321","0.003","10.63","0.002","90","","101.07","0.03","90","","1450","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O5 -","- C16 H18 O5 -","- C64 H72 O20 -","4","1","","Zeng, Wu-Lan; Wang, Xia; Yi-Ming, Hong","The crystal structure of 3-(4-hydroxybenzyl)-1,5-dioxaspiro[5.5]undecane-2,4-dione, C16H18O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","735","737","10.1515/ncrs-2019-0935","","","0.71073","MoKα","","0.0571","0.0421","","","0.1036","0.1123","","","","","","1.061","","","","has coordinates","275476","2022-05-17","07:50:14",""
"8105274","13.0196","0.0019","18.813","0.003","19.745","0.003","117.446","0.002","99.775","0.002","98.233","0.002","4091.8","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H68 Cl4 Mo6 N6 S12 Se15 -","- C42 H68 Cl4 Mo6 N6 S12 Se15 -","- C84 H136 Cl8 Mo12 N12 S24 Se30 -","2","1","","Brakefield, Kyra; Barnes, Justin; Donahue, James P.","Crystal structure of [[Mo3Se7(S2CNEt2)3]2(μ-Se)] ⋅ 2(C6H4Cl2), C42H68Cl4Mo6N6S12Se15","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","739","743","10.1515/ncrs-2019-0938","","","0.71073","MoKα","","0.0713","0.0557","","","0.1488","0.1618","","","","","","1.044","","","","has coordinates,has disorder","275477","2022-05-17","07:53:53",""
"8105275","12.3541","0.0008","14.3818","0.001","7.3757","0.0005","90","","96.471","0.002","90","","1302.12","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O3 S -","- C13 H12 N2 O3 S -","- C52 H48 N8 O12 S4 -","4","1","","Zou, Juan; Zhao, Chen-Liang; Zhang, Qi-Long; Pan, Lu-Tai; He, Kang","Crystal structure of (E)-4-hydroxy-3-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)pent-3-en-2-one, C13H12N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","745","746","10.1515/ncrs-2019-0940","","","0.71073","MoKα","","0.0607","0.0417","","","0.0963","0.108","","","","","","1.054","","","","has coordinates","275478","2022-05-17","07:57:52",""
"8105276","4.2387","0.0005","18.724","0.002","10.7345","0.0013","90","","97.751","0.004","90","","844.16","0.17","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H14 N4 Ni O2 -","- C22 H14 N4 Ni O2 -","- C44 H28 N8 Ni2 O4 -","2","1","","Shi, Xiao-Ming; Xiao, Li-Na; Peng, Peng; Zhang, Jie","The crystal structure of (2,3-dioxo-5,6:13,14-dibenzo-9,10-benzo-1,4,8,11-7, 11-diene-κ4 N,N′,N′′,N′′′)-nickel(II), Ni(C22H14N4O2)","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","747","749","10.1515/ncrs-2019-0941","","","0.71073","MoKα","","0.0557","0.0435","","","0.1128","0.1255","","","","","","0.941","","","","has coordinates","275479","2022-05-17","08:00:54",""
"8105277","8.7938","0.0005","10.3071","0.0004","18.0413","0.0007","90","","79.704","0.005","90","","1608.91","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(1-benzyl-2-ethyl-4-nitro-1<i>H</i>-imidazol-5-ylthio)-propanoic acid","","- C15 H17 N3 O4 S -","- C15 H17 N3 O4 S -","- C60 H68 N12 O16 S4 -","4","1","","Al-Qawasmeh, Raed A.; Al-Soud, Yaseen A.; Alhelal, Kafa A. S.; Khanfar, Monther A.","Crystal structure of 3-(1-benzyl-2-ethyl-4-nitro-1H-imidazol-5-ylthio)-propanoic acid, C15H17N3O4S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","751","753","10.1515/ncrs-2020-0003","","x-ray","0.71073","MoKα","","0.0726","0.0535","","","0.1307","0.1447","","","","","","1.031","","","","has coordinates","275480","2022-05-17","08:14:07",""
"8105278","9.6961","0.0004","13.6096","0.0006","15.1642","0.0005","88.456","0.003","72.251","0.003","72.376","0.004","1811.65","0.14","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H100 Cl8 P2 Pd -","- C68 H100 Cl8 P2 Pd -","- C68 H100 Cl8 P2 Pd -","1","0.5","","Liu, Hui","The crystal structure of dichlorobis(2-(dicyclohexylphosphino)-2′,4′,6′-tri-i-propyl-1,1′-biphenyl) palladium(II)-dichloroform, C68H100Cl8P2Pd","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","755","757","10.1515/ncrs-2020-0012","","","1.54184","CuKα","","0.0554","0.0483","","","0.126","0.1332","","","","","","1.026","","","","has coordinates","275481","2022-05-17","08:17:47",""
"8105279","16.386","0.002","11.705","0.001","19.005","0.003","90","","108.008","0.014","90","","3466.6","0.8","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","'Caesium(I)-Bis(1,4,7,10-tetraoxacyclo' dodecane)-pentaiodide'","","- C16 H32 Cs I7 O8 -","- C16 H32 Cs I7 O8 -","- C64 H128 Cs4 I28 O32 -","4","0.5","","Bloukh, Samir Haj; Edis, Zehra","Crystal structure and antimicrobial properties of (1,4,7,10-tetraoxacyclododecane-κ4 O,O′,O′′,O′′′)cesium(I) pentaiodide, C16H32CsI5O8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","759","761","10.1515/ncrs-2020-0057","","","0.71073","MoKα","","0.0491","0.0437","","","0.1062","0.1085","","","","","","1.268","","","","has coordinates","275482","2022-05-17","08:21:36",""
"8105280","12.043","0.005","21.723","0.009","9.961","0.004","90","","90","","90","","2605.9","1.9","296","2","296","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C24 H22 Co N8 O4 S2 -","- C24 H22 Co N8 O4 S2 -","- C96 H88 Co4 N32 O16 S8 -","4","0.5","","Wang, Wan-Wan; Deng, Xiao-Wei; Wu, Wei-Na","Crystal structure of bis [1-(phenylsulfonyl)-2-(1-(pyrazin-2-yl)ethylidene)hydrazin-1-ido-κ3 N,N′,O]cobalt(II), C24H22N8O4S2Co","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","763","764","10.1515/ncrs-2019-0611","","","0.71073","MoKα","","0.0505","0.0366","","","0.0704","0.0764","","","","","","1.024","","","","has coordinates","275483","2022-05-17","08:27:40",""
"8105281","9.4202","0.0005","9.7871","0.0005","15.0135","0.0009","106.775","0.003","92.534","0.003","117.424","0.003","1150.52","0.12","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 Br N2 O4 -","- C26 H25 Br N2 O4 -","- C52 H50 Br2 N4 O8 -","2","1","","Cai, Bin; Fu, Chun-Yan; Guo, Xin-Yu; Wang, Ying","The crystal structure of 1,3-bis(4-(methoxycarbonyl)benzyl)-2-methyl-1H-benzo[d]imidazol-3-ium bromide, C26H25BrN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","765","766","10.1515/ncrs-2019-0616","","","0.71073","MoKα","","0.0464","0.0316","","","0.0625","0.0671","","","","","","1.035","","","","has coordinates","275484","2022-05-17","08:58:33",""
"8105282","9.893","0.002","11.503","0.002","13.295","0.003","78.77","0.03","70.52","0.03","83.4","0.03","1397","0.6","153","2","153.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 Cl N8 Ni O7 -","- C26 H27 Cl N8 Ni O7 -","- C52 H54 Cl2 N16 Ni2 O14 -","2","1","","Li, Xin-Lun; Luo, Zhong-Ping; Zhang, Jun-Chao; Nie, Feng-Mei","Crystal structure of {tris((1H-benzo[d]imidazol-2-yl)methyl)amine-κ4 N,N′,N′′,N′′′}-(nitrito-κ2 O,O′)nickel(II) perchlorate – ethanol (1/1), C26H27ClN8NiO7","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","767","769","10.1515/ncrs-2019-0862","","","0.71073","MoKα","","0.0449","0.0423","","","0.1013","0.1032","","","","","","1.058","","","","has coordinates","275485","2022-05-17","09:03:31",""
"8105283","7.7885","0.0004","14.9974","0.0008","17.7464","0.001","90","","102.184","0.002","90","","2026.22","0.19","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Cu2 N4 O7 -","- C22 H14 Cu2 N4 O7 -","- C88 H56 Cu8 N16 O28 -","4","1","","Guo, Xiao-Yu; Chen, Ji-Hong; Meng, Xiang-Ru","Crystal structure of catena-poly[aqua[(μ2-4,5-dicarboxylato-2-(2-carboxylatophenyl)imidazol-1-ido-κ4 N,O,O′:N′)](μ2-4,4′-bipyridine-κ2 N:N′)dicopper(II)], C22H14Cu2N4O7","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","771","773","10.1515/ncrs-2019-0887","","","0.71073","MoKα","","0.0567","0.0357","","","0.0848","0.0936","","","","","","1.021","","","","has coordinates","275486","2022-05-17","09:06:33",""
"8105284","17.5342","0.0001","11.1174","0.0001","18.5675","0.0001","90","","95.405","0.001","90","","3603.36","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 As Cl O Sn -","- C42 H42 As Cl O Sn -","- C168 H168 As4 Cl4 O4 Sn4 -","4","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of chlorido-tris(4-methylbenzyl-κC)-(triphenylarsine oxide-κO)tin(IV), C42H42AsClOSn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","775","777","10.1515/ncrs-2019-0888","","","1.54184","CuKα","","0.019","0.0184","","","0.0461","0.0465","","","","","","1.015","","","","has coordinates","275487","2022-05-17","09:16:09",""
"8105285","7.859","0.0006","9.3108","0.0008","11.0816","0.0008","66.95","0.003","71.558","0.003","77.203","0.004","703.38","0.1","149","2","149.44","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N2 O8 -","- C13 H13 N2 O8 -","- C26 H26 N4 O16 -","2","1","","Chai, Chun-Xia; Peng, Peng; Cai, Bin","The crystal structure of 4,4′-bipyridinium bis(3-carboxy-2-nitrobenzoate) tetrahydrate, C13H13N2O8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","779","781","10.1515/ncrs-2020-0004","","","0.71073","MoKα","","0.052","0.0389","","","0.098","0.1075","","","","","","1.0544","","","","has coordinates","275488","2022-05-17","09:24:56",""
"8105286","21.9309","0.0011","9.9648","0.0005","11.0049","0.0007","90","","93.403","0.006","90","","2400.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 Cl N2 O -","- C28 H31 Cl N2 O -","- C112 H124 Cl4 N8 O4 -","4","1","","Feng, Aiqing; Lv, Bin","Crystal structure of 1-(3-chlorophenyl)-4-(4-(((2,3-dihydro-1H-inden-5-yl)oxy)methyl)phenethyl)piperazine, C28H31ClN2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","783","785","10.1515/ncrs-2020-0005","","x-ray","0.71073","MoKα","","0.0863","0.0566","","","0.1231","0.1355","","","","","","1.044","","","","has coordinates","275509","2022-05-18","08:08:55",""
"8105287","12.4217","0.0008","7.3444","0.0006","10.6063","0.0007","90","","90","","90","","967.61","0.12","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2.5 H3 Mg0.5 N5 O -","- C2.5 H3 Mg0.5 N5 O -","- C20 H24 Mg4 N40 O8 -","8","1","","Li, Ting; Xing, Zheng","Crystal structure of catena-poly[diaqua-bis(μ2-5,5′-(1H-imidazole-4,5-diyl)bis(tetrazol-2-ido)-κ4 N,N′:N′′,N′′′)magnesium], C10H8N20O2Mg","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","787","788","10.1515/ncrs-2020-0006","","","0.71","graphite","","0.0478","0.0411","","","0.1096","0.1147","","","","","","1.075","","","","has coordinates","275510","2022-05-18","08:12:07",""
"8105288","19.718","0.008","9.102","0.004","8.091","0.004","90","","90","","90","","1452.1","1.1","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H21 N O5 -","- C13 H21 N O5 -","- C52 H84 N4 O20 -","4","1","","Liguo, Yang; Zhen, Zhang; Yongsheng, Niu; Fang, Wang; Dayong, Tian","The crystal structure of (E)-2-((2-hydroxy-4-ethoxybenzylidene)amino)-2-methylpropane-1,3-diol monohydrate, C13H21NO5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","789","791","10.1515/ncrs-2020-0007","","","0.71073","MoKα","","0.0605","0.0452","","","0.1135","0.1289","","","","","","1.052","","","","has coordinates","275511","2022-05-18","08:15:32",""
"8105289","14.9908","0.0005","11.6786","0.0003","15.4664","0.0005","90","","95.448","0.003","90","","2695.5","0.14","291.5","0.2","291.5","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 Cd0.5 Cl2 N2 O4 -","- C11 H10 Cd0.5 Cl2 N2 O4 -","- C88 H80 Cd4 Cl16 N16 O32 -","8","1","","Xiao-Tian, Sun; Zheng, Lei","Crystal structure of catena-poly[diaqua-(μ2-bipyridine-κ2 N:N′)-bis(3,5-dichloroisonicotinato-κO)cadmium(II)] dihydrate, C22H20CdCl4N4O8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","793","795","10.1515/ncrs-2020-0011","","x-ray","0.71073","MoKα","","0.0244","0.0226","","","0.051","0.0516","","","","","","1.064","","","","has coordinates","275512","2022-05-18","08:48:02",""
"8105290","14.4696","0.0007","9.5385","0.0004","18.7042","0.0011","90","","112.619","0.002","90","","2383","0.2","150","2","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cl O2 -","- C13 H15 Cl O2 -","- C104 H120 Cl8 O16 -","8","2","","Du, Chao-Jun; Wang, Zong-Dong; Wang, Xiao-Ke; Zeng, Yan","The crystal structure of 4-(4-chlorophenyl)cyclohexane-1-carboxylic acid, C13H15ClO2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","797","799","10.1515/ncrs-2020-0013","","","0.71073","MoKα","","0.0646","0.0414","","","0.097","0.109","","","","","","1.039","","","","has coordinates","275513","2022-05-18","08:54:06",""
"8105291","6.5965","0.0012","9.5374","0.0017","10.5249","0.0019","63.809","0.013","84.677","0.015","76.397","0.014","577.46","0.19","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- H10 N3 O14 Y -","- H10 N3 O14 Y -","- H20 N6 O28 Y2 -","2","1","","Klein, Wilhelm","Redetermination of the crystal structure of yttrium(III) trinitrate(V) pentahydrate, Y(NO3)3 ⋅ 5 H2O, H10N3O14Y","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","801","802","10.1515/ncrs-2020-0018","","","0.71073","MoKα","","0.0488","0.033","","","0.0639","0.0697","","","","","","1.009","","","","has coordinates","275514","2022-05-18","09:16:10",""
"8105292","16.969","0.005","10.515","0.003","7.238","0.002","90","","110.71","0.01","90","","1208","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cd Cl2 N2 -","- C12 H8 Cd Cl2 N2 -","- C48 H32 Cd4 Cl8 N8 -","4","0.5","","Li, Ling-Chuan; Zhou, Xiao-Li; Liu, Yan-Li; Wang, Li-Ping","Crystal structure of catena-poly[di-μ2-chlorido-1,10-phenanthroline-κ2 N,N′-cadmium(II)], C12H8Cl2CdN2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","803","804","10.1515/ncrs-2020-0019","","","0.71073","MoKα","","0.032","0.0245","","","0.0612","0.0806","","","","","","1.348","","","","has coordinates","275515","2022-05-18","09:20:16",""
"8105293","8.6952","0.0007","19.6715","0.0018","8.0995","0.0008","90","","110.691","0.003","90","","1296","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F3 N2 O3 -","- C13 H9 F3 N2 O3 -","- C52 H36 F12 N8 O12 -","4","1","","Wu, Wen-Neng; Fei, Qiang; Ge, Yong-Hui; Gan, Xiu-Hai","Crystal structure of 4-((2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)oxy)benzoic acid, C13H9F3N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","805","806","10.1515/ncrs-2020-0020","","","0.71073","MoKα","","0.1062","0.0558","","","0.1198","0.1358","","","","","","1.085","","","","has coordinates","275516","2022-05-18","09:24:18",""
"8105294","5.321","0.0008","5.1825","0.0008","29.598","0.005","90","","93.875","0.002","90","","814.3","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-acetyl-4-hydroxybenzoic acid","","- C18 H16 O8 -","- C18 H16 O8 -","- C36 H32 O16 -","2","0.5","","Gu, Jia; Huang, Cui-Xin; Zheng, Yan-Ling; Nie, Xu-Liang; Chen, Jin-Zhu","Crystal structure of 3-acetyl-4-hydroxybenzoic acid, C18H16O8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","807","809","10.1515/ncrs-2020-0021","","","0.71073","MoKα","","0.0382","0.034","","","0.0975","0.1011","","","","","","1.076","","","","has coordinates","275517","2022-05-18","09:26:47",""
"8105295","9.3077","0.0014","9.9624","0.0014","14.0449","0.0019","70.889","0.003","75.532","0.002","87.544","0.003","1190.5","0.3","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H56 N10 Ni O6 S2 -","- C44 H56 N10 Ni O6 S2 -","- C44 H56 N10 Ni O6 S2 -","1","0.5","","Li, Zhuang-Yu; Liu, E.; Liu, Xiao-Jing; Jian, Fang-Fang; Liang, Tong-ling","Crystal structure of bis(N,2-bis(4-ethoxybenzylidene)hydrazine-1-carbohydrazonothioato-κ2 N,S)nickel(II) — N,N-dimethylformamide (1/2), C44H56N10S2O6Ni","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","811","813","10.1515/ncrs-2020-0025","","","0.71073","MoKα","","0.1053","0.0528","","","0.1037","0.1279","","","","","","1.0052","","","","has coordinates","275518","2022-05-18","09:29:50",""
"8105296","5.066","0.003","12.775","0.008","12.587","0.008","90","","94.06","0.008","90","","812.6","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Cl N3 O2 -","- C6 H8 Cl N3 O2 -","- C24 H32 Cl4 N12 O8 -","4","1","","Yan, Sheng; Xue, Mei; He, Xinyuan; Wang, Chengqian; Wang, Zixin; Wang, Jianlong","The crystal structure of 5-chloro-4,6-dimethoxypyrimidin-2-amine, C6H8ClN3O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","815","816","10.1515/ncrs-2020-0026","","","0.71073","MoKα","","0.1189","0.0597","","","0.1558","0.199","","","","","","0.995","","","","has coordinates","275519","2022-05-18","09:36:04",""
"8105297","7.8199","0.0008","8.6969","0.0008","13.1934","0.0013","93.955","0.001","99.951","0.001","109.946","0.001","822.79","0.14","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 N5 Ni O5 -","- C17 H14 N5 Ni O5 -","- C34 H28 N10 Ni2 O10 -","2","1","","Shi, Rui; Zhu, Xia; Lin, Shi-Yong; Su, Yi; He, Yu-Yang; Zhang, Song-Yao","Crystal structure of poly[aqua-(μ4-benzene-1,2,4,5-tetracarboxylato-κ4O,O′,O′′,O′′′)bis(μ2-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazole-κ2 N:N)dinickel(II)], NiC17H14N5O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","817","819","10.1515/ncrs-2020-0027","","","0.71073","MoKα","","0.0416","0.0316","","","0.0657","0.0688","","","","","","1.035","","","","has coordinates","275538","2022-05-19","08:18:35",""
"8105298","11.3967","0.0005","12.6953","0.0006","14.9539","0.0007","80.903","0.004","89.801","0.004","83.911","0.004","2124.14","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H44 Ag2 N6 O8 S2 -","- C44 H44 Ag2 N6 O8 S2 -","- C88 H88 Ag4 N12 O16 S4 -","2","1","","Li, Xi-Xi; Jiang, Jin-Ke; Du, Jing-Jie; Guo, Wei; Jiang, Hui; Dong, Xian-Wu","Crystal structure of poly[aqua(5-dimethylamino)naphthalene-1-sulfonato-κ2 N:O)(μ2-4,4′-bipyridyl -κ2 N:N′)silver(I)], C44H44Ag2N6O8S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","821","823","10.1515/ncrs-2020-0028","","","0.71073","MoKα","","0.0657","0.0421","","","0.0997","0.113","","","","","","1.033","","","","has coordinates,has disorder","275539","2022-05-19","08:33:13",""
"8105299","20.2282","0.0019","14.5095","0.0011","12.6091","0.001","90","","96.937","0.003","90","","3673.7","0.5","107","","107","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1-[3-(trifluoromethyl)cinnamoyl]-3-(pyridin-2-yl-<i>kN</i>)pyrazole- <i>kN^2^</i>-bis(2-phenylpyridinato-<i>k^2^C,N</i>)iridium(III)","","- C40 H28 F9 Ir N5 O P -","- C40 H28 F9 Ir N5 O P -","- C160 H112 F36 Ir4 N20 O4 P4 -","4","1","","Chong, Yan Yi; Mark-Lee, Wun Fui; Ahmad, Ishak; Kassim, Mohammad B.","Crystal structure of 1-[3-(trifluoromethyl)cinnamoyl]-3-(pyridin-2-yl-κN)pyrazole-κ2 N-bis(2-phenylpyridinato-k2 C,N)iridium(III) hexafluorophosphate complex, [C40H28F3IrN5O]PF6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","825","829","10.1515/ncrs-2020-0029","","","0.71073","MoKα","","0.0758","0.0498","","","0.1111","0.125","","","","","","1.02","","","","has coordinates","275540","2022-05-19","08:42:40",""
"8105300","12.2643","0.0008","7.1481","0.0004","26.2858","0.0016","90","","93.119","0.006","90","","2301","0.2","298","2","298","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C12 H30 Ag2 N4 O11 S2 -","- C12 H30 Ag2 N4 O11 S2 -","- C48 H120 Ag8 N16 O44 S8 -","4","0.5","","Jiang, Jin-Ke; Li, Xi-Xi; Wu, Hua; Dong, Xian-Wu; Jiang, Hui","Crystal structure of catena-poly[aqua(μ6-piperazine-1,4-bisethanesulfonato-κ6 N:N′:O:O′:O′′:O′′′)(μ2-pyrazinyl-κ2 N:N′)disilver(I)sesquihydrate], C12H30Ag2N4O11S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","831","832","10.1515/ncrs-2020-0030","","","0.71073","MoKα","","0.0205","0.0186","","","0.0455","0.0462","","","","","","1.102","","","","has coordinates","275541","2022-05-19","08:46:39",""
"8105301","8.3844","0.0001","20.0465","0.0003","14.0511","0.0002","90","","94.786","0.001","90","","2353.44","0.06","150.02","","150.02","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C112 H96 N16 O16 -","8","4","","Olagboye, Sulaiman A.; Yusuf, Tunde L.; Oladipo, Segun D.; Zamisa, Sizwe J.","Crystal structure of (E)-1-(2-nitrophenyl)-N-(o-tolyl)methanimine, C14H12N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","833","836","10.1515/ncrs-2020-0034","","","0.71073","MoKα","","0.0429","0.0356","","","0.0954","0.1022","","","","","","1.013","","","","has coordinates","275542","2022-05-19","08:50:27",""
"8105302","8.133","0.0005","9.3474","0.0005","12.152","0.0008","87.278","0.005","71.092","0.006","66.19","0.006","795.88","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 N2 -","- C19 H22 N2 -","- C38 H44 N4 -","2","1","","Mo, Shuang-Ming; Shi, Da-Bin","Crystal structure of 4′-amino-3′,5′-diisopropyl-(1,1′-biphenyl)-4-carbonitrile, C19H22N2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","837","839","10.1515/ncrs-2020-0038","","","1.54178","CuKα","","0.0532","0.0498","","","0.136","0.1415","","","","","","1.023","","","","has coordinates","275543","2022-05-19","08:55:18",""
"8105303","6.7377","0.0001","7.35","0.0001","14.8647","0.0002","90","","96.051","0.001","90","","732.03","0.018","150.01","0.1","150.01","0.1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C2.5 H3.5 N1.5 Ni0.5 O0.5 -","- C2.5 H3.5 N1.5 Ni0.5 O0.5 -","- C20 H28 N12 Ni4 O4 -","8","1","","Yang, Shuang-Hua","The crystal structure of poly[bis(N,N-dimethylformamide-κ1 O)-tetrakis(μ2-cyanido-κ2 C:N)dinickel(II)], C10H14N6O2Ni2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","841","843","10.1515/ncrs-2020-0043","","x-ray","1.54184","CuKα","","0.0351","0.0314","","","0.0975","0.0996","","","","","","1.21","","","","has coordinates","275544","2022-05-19","09:02:33",""
"8105304","10.6105","0.0008","17.1664","0.0009","11.9848","0.0009","90","","97.682","0.003","90","","2163.4","0.3","273","2","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","rac-<i>trans</i>-<i>N</i>,<i>N</i>'-bis(3-bromo-5-chlorosalicylidene)-1,2-\ cyclohexanediamine","","- C20 H18 Br2 Cl2 N2 O2 -","- C20 H18 Br2 Cl2 N2 O2 -","- C80 H72 Br8 Cl8 N8 O8 -","4","1","","Jiang, Fang; Xu, Yan; Ma, Xun; Li, Jiayi; Wu, Qiong","Crystal structure of rac-trans-N,N′-bis(3-bromo-5-chlorosalicylidene)-1,2-cyclohexanediamine, C20H18Br2Cl2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","845","846","10.1515/ncrs-2020-0051","","","0.71073","MoKα","","0.0579","0.033","","","0.0644","0.0823","","","","","","1.1","","","","has coordinates","275545","2022-05-19","09:07:51",""
"8105305","9.1119","0.0006","17.8211","0.0012","13.5228","0.0008","90","","90.809","0.002","90","","2195.7","0.2","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","rac-<i>trans</i>-<i>N</i>,<i>N</i>'-bis(3,5-bromosalicylidene)-1,2-\ cyclohexanediamine, C~20~H~18~Br~4~N~2~O~2~","","- C20 H18 Br4 N2 O2 -","- C20 H18 Br4 N2 O2 -","- C80 H72 Br16 N8 O8 -","4","1","","Jiao, Liang; Tan, Hui; Sun, Jinrong; Zhang, Longduo; Wu, Qiong","Crystal structure of rac-trans-N,N′-bis(3,5-dibromosalicylidene)-1,2-cyclohexanediamine, C20H18Br4N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","847","848","10.1515/ncrs-2020-0052","","","0.71073","MoKα","","0.0579","0.0448","","","0.0926","0.0963","","","","","","1.107","","","","has coordinates","275546","2022-05-19","09:11:34",""
"8105306","13.7804","0.0005","10.311","0.0005","16.4118","0.0006","90","","90","","90","","2331.95","0.16","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","tris(~2~-Oxo)-bis(1'10-phenanthroline)-tetraoxo-di-chromium(VI)- nike(II)","","- C24 H16 Cr2 N4 Ni O7 -","- C24 H16 Cr2 N4 Ni O7 -","- C96 H64 Cr8 N16 Ni4 O28 -","4","0.5","","Wu-Hua, Chen; Gui-Xiang, Xie; Qin, Chen; Yan-Ming, Ruan","The crystal structure of (dichromato-κ2 O,O′)bis(1,10-phenanthroline-κ2 N,N′)nickel(II), C12H16N4O7Cr2Ni","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","849","850","10.1515/ncrs-2020-0053","","","0.71073","MoKα","","0.0598","0.0438","","","0.1021","0.1111","","","","","","1.114","","","","has coordinates","275547","2022-05-19","09:14:50",""
"8105307","7.0752","0.0001","7.5085","0.0001","29.3383","0.0005","90","","90","","90","","1558.57","0.04","290","2","290","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Nicotin-1,1'-diium tetrachloridozincate(II) monohydrate","3-((1<i>R</i>,2<i>S</i>)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridozincate(II) monohydrate","","- C10 H18 Cl4 N2 O Zn -","- C10 H18 Cl4 N2 O Zn -","- C40 H72 Cl16 N8 O4 Zn4 -","4","1","","Reiss, Guido J.; Sergeeva, Alena","The crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridozincate(II) monohydrate, C10H18Cl4ZnN2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","851","854","10.1515/ncrs-2020-0054","","","0.71073","MoKα","","0.0352","0.033","","","0.066","0.0672","","","","","","1.04","","","","has coordinates","275548","2022-05-19","09:18:48",""
"8105308","9.5994","0.0007","11.9156","0.001","10.3508","0.0007","90","","91.025","0.006","90","","1183.76","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Br2 Cu2 N10 O2 -","- C18 H20 Br2 Cu2 N10 O2 -","- C36 H40 Br4 Cu4 N20 O4 -","2","0.5","","Li, Jiayi; Xu, Yan; Jiang, Fang; Sun, Jinrong; Wu, Qiong","Crystal structure of bis(μ2-azido-k2N,N)-bis(2-amino-1-(N-(3-bromosalicylaldiminato))ethane)-dicopper(II), C20H18Br4N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","855","856","10.1515/ncrs-2020-0056","","","0.71073","MoKα","","0.0815","0.0472","","","0.0896","0.1008","","","","","","1.015","","","","has coordinates","275549","2022-05-19","09:21:58",""
"8105309","8.2185","0.0004","10.1626","0.0005","11.9356","0.0006","100.399","0.004","90.005","0.004","93.434","0.004","978.68","0.08","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Br Cl N Ru -","- C21 H21 Br Cl N Ru -","- C42 H42 Br2 Cl2 N2 Ru2 -","2","1","","Xu, Chen; Lou, Xin-Hua","Crystal structure of (η6-1-methyl-4-isopropylbenzene)-[5-bromo-2-(2-pyridyl)phenyl-κ2 C,N]-chloro-ruthenium(II), C21H21BrClNRu","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","857","859","10.1515/ncrs-2020-0058","","","0.71073","MoKα","","0.0486","0.0353","","","0.0628","0.0676","","","","","","1.031","","","","has coordinates","275550","2022-05-19","09:24:52",""
"8105310","18.555","0.01","6.785","0.004","10.139","0.005","90","","105.86","","90","","1227.9","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","N-((R)-methyl(oxo)((S)-1-(6-(trifluoromethyl)pyridin-3-yl)ethyl)- <i>\V</i>^6^-sulfanylidene)cyanamide","","","- C10 H10 F3 N3 O S -","- C10 H10 F3 N3 O S -","- C40 H40 F12 N12 O4 S4 -","4","1","","Ning, Xu; Shi, Yun-Lian; Shi, Xu-Gen; Yang, Wen-Li; Peng, Da-Yong","Crystal structure of N-(methyl(oxo)(1-(6-(trifluoromethyl)pyridin-3-yl)ethyl)-λ6-sulfanylidene)cyanamide, C10H10F3N3OS","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","861","862","10.1515/ncrs-2020-0059","","","0.71073","MoKα","","0.0643","0.0571","","","0.167","0.1785","","","","","","1.063","","","","has coordinates,has disorder","275551","2022-05-19","09:27:34",""
"8105311","12.6946","0.0007","11.9262","0.0007","14.9398","0.0009","90","","115.14","","90","","2047.6","0.2","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(2,2'-(cyclohexane-1,2-diylbis((nitrilo)methylylidene))bis(3-bromo-5-\ chlorophenolato))-nickel(II)","","- C20 H16 Br2 Cl2 N2 Ni O2 -","- C20 H16 Br2 Cl2 N2 Ni O2 -","- C80 H64 Br8 Cl8 N8 Ni4 O8 -","4","1","","Jiang, Fang; Lei, Yan; Ting, Liu; Yang, Xiongzi; Wu, Qiong","Crystal structure of 6,6′-((cyclohexane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(2-bromo-4-chlorophenolato-κ4 N,N′,O,O′)nickel(II), C20H16Br2Cl2NiN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","863","864","10.1515/ncrs-2020-0061","","","0.71073","MoKα","","0.0627","0.0386","","","0.0757","0.0834","","","","","","1.056","","","","has coordinates","275552","2022-05-19","09:30:20",""
"8105312","7.0427","0.0003","10.4459","0.0007","10.5778","0.0006","73.233","0.006","83.372","0.004","77.34","0.004","725.85","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","catena-tris(2-oxo)-1'10-phenanthroline-hydrate-molybdenum(vi)- manganese(ii) solvate hydrate","","","- C12 H12 Mn Mo N2 O6 -","- C12 H12 Mn Mo N2 O6 -","- C24 H24 Mn2 Mo2 N4 O12 -","2","1","","Wu-Hua, Chen; Ji, Zhou; Yu-Fan, Wang","Redetermination of the crystal structure of catena-poly[aqua-(1,10-phenanthroline-κ2 N,N′)-(μ2-tetraoxidomolybdato(VI)-κ2 O:O′)manganese(II) monohydrate, C12H12N2O6MoMn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","865","866","10.1515/ncrs-2020-0065","","x-ray","0.71073","MoKα","","0.0441","0.0386","","","0.0882","0.0916","","","","","","1.069","","","","has coordinates","275553","2022-05-19","09:33:19",""
"8105313","7.527","0.0004","12.3533","0.0006","17.4904","0.0008","90","","91.78","0.004","90","","1625.53","0.14","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","The crystal structure of Rhodium(II) o-Chlorobenzoate Dimer with axial Methanol Molecules, C~30~H~24~Cl~4~O~10~Rh~2~","","- C30 H24 Cl4 O10 Rh2 -","- C30 H24 Cl4 O10 Rh2 -","- C60 H48 Cl8 O20 Rh4 -","2","0.5","","Zhu, Guangyuan; Meng, Miao","The crystal structure tetrakis(μ2-o-chlorobenzoato-κ2 O:O′)-bis(methanol-κ1 O)dirhodium(II), C30H24Cl4O10Rh2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","867","868","10.1515/ncrs-2020-0067","","x-ray","1.54184","CuKα","","0.0497","0.0458","","","0.1248","0.1285","","","","","","1.0278","","","","has coordinates","275554","2022-05-19","09:36:23",""
"8105314","9.348","0.0019","12.985","0.003","14.278","0.003","113.14","0.03","92.05","0.03","102.75","0.03","1539.8","0.7","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 N10 O6 Pb S2 -","- C26 H20 N10 O6 Pb S2 -","- C52 H40 N20 O12 Pb2 S4 -","2","1","","Li, Zhuang-yu; Liu, E; Liu, Xiao-jing; Jian, Fang-fang","Crystal structure of bis(2,3-diphenyltetrazolidine-5-thione-κ1 S)-(nitrato-κ1 O)-(nitrato-κ2 O,O′)lead(II), C26H20N10O6S2Pb","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","869","871","10.1515/ncrs-2020-0068","","","0.71073","MoKα","","0.0562","0.0336","","","0.0786","0.0874","","","","","","1.0419","","","","has coordinates","275570","2022-05-20","08:28:30",""
"8105315","8.7233","0.0016","11.655","0.002","15.374","0.003","82.225","0.004","86.125","0.003","76.3","0.003","1503.6","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H25 Br2 Cd N8 O2.5 -","- C28 H24 Br2 Cd N8 O2.5 -","- C56 H48 Br4 Cd2 N16 O5 -","2","1","","Guo, Yi-Peng; Liu, Xiao","Crystal structure of bis(3-bromo-N-(1-(3-methylpyrazin-2-yl)ethylidene)benzohydrazonato-κ3 O,N,N′)cadmium(II) hemihydrate, C28H25N8O2.5Br2Cd","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","873","874","10.1515/ncrs-2020-0071","","","0.71073","MoKα","","0.0875","0.0459","","","0.0965","0.1102","","","","","","0.981","","","","has coordinates,has disorder","275571","2022-05-20","08:32:40",""
"8105316","8.5122","0.0005","8.5458","0.0006","8.8674","0.0006","75.042","0.003","68.601","0.002","89.809","0.003","577.26","0.07","152.41","","152.41","","","","","","","","","6","P -1","-P 1","2","","catena-poly[bis(μ2-η1:η1-trifluoroacetate-κ2 O:O')- hemi(μ2-2,5-dimethylpyrazine-κ2 N,N')-copper(II)","","- C7 H4 Cu F6 N O4 -","- C7 H4 Cu F6 N O4 -","- C14 H8 Cu2 F12 N2 O8 -","2","1","","Zhang, Lan; Ren, Yong; Wang, Qiang; Ding, Wu-Xiu; Fei, Wen-Bo","Crystal structure of catena-poly[tetrakis(μ2-trifluoroacetato-κ2 O:O′)(μ2-2,5-dimethylpyrazine-κ2 N,N′)dicopper(II)], C7H4CuF6NO4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","875","877","10.1515/ncrs-2020-0073","","","0.71073","MoKα","","0.0295","0.0247","","","0.0603","0.0625","","","","","","1.085","","","","has coordinates,has disorder","275572","2022-05-20","08:57:28",""
"8105317","10.5883","0.0004","9.4385","0.0003","16.5154","0.0007","90","","94.616","0.004","90","","1645.16","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H36 Mo8 N6 O29 -","- C8 H36 Mo8 N6 O29 -","- C16 H72 Mo16 N12 O58 -","2","0.5","","Wu-Hua, Chen; Dai-Bin, Yang; Zhao-Bin, Jiang","The crystal structure of catena-poly[bis[3-azoniapentane-1,5-diammonium][bis(μ4-oxo)-tetrakis(μ3-oxo)-heptakis(μ2-oxo)-tetradecaoxo-octa-molybdenum] dihydrate], (C8H36N6O29Mo8) n","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","879","880","10.1515/ncrs-2020-0074","","","0.71073","MoKα","","0.0433","0.0359","","","0.0842","0.0887","","","","","","1.03","","","","has coordinates","275573","2022-05-20","09:03:36",""
"8105318","37.804","0.0012","6.086","0.0002","19.3025","0.0006","90","","98.104","0.003","90","","4396.7","0.2","291.8","0.2","291.8","0.2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H24 Cl12 N4 Ni2 O18 -","- C28 H24 Cl12 N4 Ni2 O18 -","- C112 H96 Cl48 N16 Ni8 O72 -","4","0.5","","Du, Zhong-Xiang; Li, Jun-Xia","Crystal structure of tetraaqua-bis(2-((3,5,6-trichloropyridin-2-yl)oxy)acetato-κO)-nickel(II)—diaqua-bis(2-((3,5,6-trichloropyridin-2-yl)oxy)acetato-nickel(II), C28H24Cl12N4Ni2O18","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","881","883","10.1515/ncrs-2020-0075","","x-ray","0.71073","MoKα","","0.0856","0.0498","","","0.0886","0.1039","","","","","","0.997","","","","has coordinates","275574","2022-05-20","09:11:54",""
"8105319","9.1065","0.0005","14.595","0.0008","12.7195","0.0008","90","","93.557","0.002","90","","1687.28","0.17","273","","273","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C8 H10 Bi Cl5 N4 O2 -","- C8 H10 Bi Cl5 N4 O2 -","- C32 H40 Bi4 Cl20 N16 O8 -","4","1","","Hao, Munan; Jin, Shifeng; Ma, Yuxin; Zhou, Junyan; Zhang, Zeyu; Zhao, Changchun","The crystal structure of bis(2-hydroxypyrimidinium) pentachloridobismuthate(III), (C4N2H5O)2BiCl5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","885","886","10.1515/ncrs-2020-0078","","","0.71073","MoKα","","0.0295","0.0249","","","0.0591","0.0612","","","","","","1.082","","","","has coordinates","275575","2022-05-20","09:22:43",""
"8105320","15.7577","0.001","12.6174","0.0007","16.7333","0.001","90","","99.609","0.006","90","","3280.3","0.3","291","2","291.2","0.3","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H26 Cl6 N4 Ni O8 -","- C28 H26 Cl6 N4 Ni O8 -","- C112 H104 Cl24 N16 Ni4 O32 -","4","0.5","","Li, Jun-Xia; Du, Zhong-Xiang","The crystal structure of catena-poly[(μ2-4,4′-dipyridine-κ2 N,N′)-bis(3,5,6-trichloropyridine-2-oxyacetato-κO)-bis(ethanol-κO)nickel(II)], C28H26Cl6N4NiO8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","887","890","10.1515/ncrs-2020-0083","","x-ray","0.71073","MoKα","","0.1129","0.0674","","","0.1312","0.1665","","","","","","1.03","","","","has coordinates","275576","2022-05-20","09:25:51",""
"8105321","8.6281","0.0007","11.3695","0.0009","14.3529","0.0011","68.166","0.007","80.707","0.007","71.169","0.007","1235.65","0.19","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H20 Cl3 F2 N O3 S -","- C26 H20 Cl3 F2 N O3 S -","- C52 H40 Cl6 F4 N2 O6 S2 -","2","1","","Zhang, Li-Xia; Hou, Yun","Crystal structure and anti-inflammatory activity of (3E,5E)-1-((4-chlorophenyl)sulfonyl)-3,5-bis(4-fluorobenzylidene)piperidin-4-one-dichloromethane (1/1), C26H20Cl3F2NO3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","891","893","10.1515/ncrs-2020-0085","","","0.71073","MoKα","","0.0741","0.0564","","","0.1271","0.1376","","","","","","1.103","","","","has coordinates,has disorder","275577","2022-05-20","09:39:54",""
"8105322","7.0407","0.0005","7.1597","0.0006","8.3808","0.0007","75.844","0.004","76.306","0.004","67.504","0.004","373.61","0.05","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 Br N O3 -","- C6 H6 Br N O3 -","- C12 H12 Br2 N2 O6 -","2","1","","Cai, Bin; Zhu, Meng-En; Bai, Xin; Lin, Yan-Ru; Guo, Qian-Qian; Meng, Yu-Ning","The crystal structure of 5-bromopicolinic acid monohydrate, C6H6BrNO3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","895","896","10.1515/ncrs-2020-0087","","","0.71073","MoKα","","0.0248","0.0205","","","0.0516","0.0527","","","","","","1.127","","","","has coordinates","275578","2022-05-20","09:42:53",""
"8105323","11.2926","0.0006","11.5832","0.0004","16.9974","0.0009","109.211","0.004","90.211","0.004","95.29","0.004","2089.21","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H17 Br F N3 S -","- C25 H17 Br F N3 S -","- C100 H68 Br4 F4 N12 S4 -","4","2","","Alotaibi, Abdullah A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","The crystal structure of 2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-8H-indeno[1,2-d]thiazole, C25H17BrFN3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","897","899","10.1515/ncrs-2020-0088","","","0.71073","MoKα","","0.1114","0.058","","","0.1462","0.1797","","","","","","1.017","","","","has coordinates","275579","2022-05-20","09:46:46",""
"8105324","12.0182","0.0012","6.9735","0.0007","16.251","0.0014","90","","93.572","0.009","90","","1359.3","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Br N2 O4 Zn -","- C12 H13 Br N2 O4 Zn -","- C48 H52 Br4 N8 O16 Zn4 -","4","1","","Xi-Shi, Tai; Xiao-Jing, Zhou; Li-Li, Liu; Shu-Hua, Cao; Li-Hua, Wang","The crystal structure of catena-poly[(μ2-2-((3-bromo-2-oxidobenzylidene)amino)acetato-κ4 O,N,O′:O′′)-(dimethylformamide-κ1 O)]zinc(II), C12H13N2O4BrZn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","901","902","10.1515/ncrs-2020-0090","","x-ray","0.71073","MoKα","","0.0329","0.0279","","","0.0585","0.0613","","","","","","1.076","","","","has coordinates","275755","2022-06-03","06:58:14",""
"8105325","11.9307","0.0009","14.8166","0.0017","22.923","0.002","90","","90","","90","","4052.2","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H16 Br2 Fe N5 O3 -","- C17 H16 Br2 Fe N5 O3 -","- C136 H128 Br16 Fe8 N40 O24 -","8","1","","Xiao, Jianchang; Zhou, Cun; Huang, Meifen; Tan, Hui; Wu, Qiong","Crystal structure of aqua-azido-κ1 N-(6,6′-((propane-1,3-diylbis(azanylylidene))bis(methanylylidene))bis(3-bromophenolato)-κ4 N,N′,O,O′iron(III), C17H16Br2FeN5O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","903","904","10.1515/ncrs-2020-0091","","","1.54178","CuKα","","0.0982","0.075","","","0.2139","0.2497","","","","","","1.094","","","","has coordinates","275756","2022-06-03","07:00:55",""
"8105326","16.0059","0.0009","9.1008","0.0006","14.2686","0.0007","90","","100.352","0.002","90","","2044.6","0.2","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N6 O5 S V -","- C15 H24 N6 O5 S V -","- C60 H96 N24 O20 S4 V4 -","4","1","","Fu, Yi-Ru; Luan, Jian; Wang, Xiao-Jie","The crystal structure of tris(1-ethylimidazole-κ1 N)-(sulfato-κ2 O,O′)vanadium(IV), C15H24N6O5SV","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","905","906","10.1515/ncrs-2020-0095","","","0.71073","MoKα","","0.0697","0.04","","","0.0709","0.0852","","","","","","1.025","","","","has coordinates","275757","2022-06-03","07:06:54",""
"8105327","7.9831","0.0002","10.6486","0.0003","15.7222","0.0004","90","","90","","90","","1336.53","0.06","100","","100.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","2-acetylpyridine m-anisoyl hydrazone","(<i>E</i>)-3-methoxy-<i>N</i>'-(1-(pyridin-2-yl)ethylidene)benzohydrazide","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C60 H60 N12 O8 -","4","1","","Mossine, Valeri V.; Kelley, Steven P.; Mawhinney, Thomas P.","Crystal structure of (E)-3-methoxy-N′-(1-(pyridin-2-yl)ethylidene)benzohydrazide, C15H15N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","907","909","10.1515/ncrs-2020-0097","","","0.71073","MoKα","","0.0427","0.034","","","0.0766","0.0799","","","","","","1.046","","","","has coordinates","275758","2022-06-03","07:10:41",""
"8105328","9.7332","0.0019","14.886","0.003","18.623","0.005","90","","117.45","0.02","90","","2394.5","1","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl2 N4 Ni -","- C22 H28 Cl2 N4 Ni -","- C88 H112 Cl8 N16 Ni4 -","4","1","","Li, Zhuang-yu; Liu, Xiao-jing; Liu, E.; Jian, Fang-fang; Liang, Tongling","Crystal structure of dichloro-bis-(1-butyl-1H-benzo[d]imidazole)-nickel(II), C22H28Cl2N4Ni","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","911","912","10.1515/ncrs-2020-0098","","","0.71073","MoKα","","0.0665","0.045","","","0.1292","0.1466","","","","","","0.9802","","","","has coordinates,has disorder","275759","2022-06-03","07:28:33",""
"8105329","11.758","0.0007","8.3745","0.0005","13.8754","0.0008","90","","92.622","0.002","90","","1364.84","0.14","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(2, 3-dimethoxyphenyl)-3-hydroxy-4H-chromen-4-one","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","","Koh, Dongsoo","The crystal structure of 2-(2,3-dimethoxyphenyl)-3-hydroxy-4H-chromen-4-one, C17H14O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","913","914","10.1515/ncrs-2020-0099","","","0.71073","MoKα","","0.054","0.0423","","","0.1073","0.1163","","","","","","1.05","","","","has coordinates","275760","2022-06-03","07:32:45",""
"8105330","10.9189","0.0006","12.3898","0.0007","13.9206","0.0007","99.412","0.004","110.024","0.005","105.904","0.005","1631.17","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H32 F N11 O S -","- C33 H32 F N11 O S -","- C66 H64 F2 N22 O2 S2 -","2","1","","Alotaibi, Abdullah A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","The crystal structure of 5-(2-(4-fluorophenyl)hydrazono)-4-methyl-2-((3-(5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)methylene) hydrazono)-2,5-dihydrothiazole dimethylformamide monosolvate, C30H25FN10S⋅C3H7NO","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","915","917","10.1515/ncrs-2020-0101","","","0.71073","MoKα","","0.0962","0.0536","","","0.121","0.1471","","","","","","1.057","","","","has coordinates","275761","2022-06-03","07:38:14",""
"8105331","10.201","0.009","10.897","0.009","13.499","0.012","106.74","0.009","98.981","0.009","115.198","0.009","1231.1","1.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H16 F2 I N2 -","- C31 H16 F2 I N2 -","- C62 H32 F4 I2 N4 -","2","1","","Zhang, Lingfan; Ding, Man-Hua","The crystal structure of 1,8-bis(pyridin-4-ylethynyl)anthracene-1,2,4,5-tetrafluoro-3,6-diiodobenzene (2/1), C62H32F4I2N4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","919","921","10.1515/ncrs-2020-0102","","","0.71073","MoKα","","0.0286","0.0251","","","0.0643","0.0673","","","","","","1.064","","","","has coordinates","275762","2022-06-03","07:41:30",""
"8105332","10.2277","0.0018","7.6698","0.0013","13.142","0.002","90","","93.819","0.002","90","","1028.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C21 H25 I2 N -","- C21 H25 I2 N -","- C42 H50 I4 N2 -","2","0.5","","Zhang, Wei-Jun; Zeng, Tao","The crystal structure of 3,6-di-tert-butyl-1,8-diiodo-9-methyl-9H-carbazole, C21H25I2N","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","923","924","10.1515/ncrs-2020-0103","","","0.71073","MoKα","","0.028","0.0261","","","0.0665","0.068","","","","","","1.07","","","","has coordinates","275763","2022-06-03","07:45:14",""
"8105333","14.188","0.003","5.693","0.0011","17.444","0.004","90","","95.6","0.03","90","","1402.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Cl N O4 -","- C15 H14 Cl N O4 -","- C60 H56 Cl4 N4 O16 -","4","1","","Zhang, Yun-Chen; Zeng, Wu-Lan","The crystal structure of 8-((4-chlorophenylamino)methylene)-6,10-dioxaspiro[4.5]decane-7,9-dione, C15H14ClNO4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","925","927","10.1515/ncrs-2020-0104","","","0.71073","MoKα","","0.0916","0.0719","","","0.2038","0.2214","","","","","","1.071","","","","has coordinates","275764","2022-06-03","08:21:57",""
"8105334","7.489","0.0005","8.8913","0.0004","13.5918","0.0007","88.027","0.004","89.819","0.005","69.729","0.005","848.44","0.09","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 Co2 N4 O19 -","- C28 H36 Co2 N4 O19 -","- C28 H36 Co2 N4 O19 -","1","0.5","","Feng, Xun; Chen, Nan; Zhang, Zhengtao; Yu, Jingjing; Zhang, Yiming","The crystal structure of catena-poly[oktaaqua-bis(μ2-4,4′-ethene-1,2-diyldipyridine-κ2 N:N′)-(μ2-3,3′-(1-oxidodiazene-1,2-diyl)diphthalato-κ2 O:O′)dicobalt(II)] dihydrate, C28H36N4O19Co2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","929","931","10.1515/ncrs-2020-0105","","x-ray","0.71073","MoKα","","0.052","0.0435","","","0.0956","0.1015","","","","","","1.076","","","","has coordinates","275765","2022-06-03","08:26:40",""
"8105335","8.672","0.005","10.725","0.006","13.886","0.008","97.55","0.009","101.415","0.009","109.603","0.009","1164.9","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H19 N3 O -","- C31 H19 N3 O -","- C62 H38 N6 O2 -","2","1","","Wang, Feng; Shen, Lun-Hua; Jiang, Jin-Ke; Chen, Nian-gen","Crystal structure of (E)-1-(2-cyano-3-oxo-1-phenylprop-1-en-1-yl)-3,7-diphenylindolizine-6-carbonitrile, C31H19N3O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","933","934","10.1515/ncrs-2020-0106","","","0.71073","MoKα","","0.0599","0.0439","","","0.1192","0.1288","","","","","","1.069","","","","has coordinates","275766","2022-06-03","08:30:43",""
"8105336","9.6132","0.001","11.5667","0.0012","16.8739","0.0018","99.732","0.002","96.342","0.002","93.446","0.002","1832","0.3","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H37 Cu Fe O P2 S2 -","- C39 H37 Cu Fe O P2 S2 -","- C78 H74 Cu2 Fe2 O2 P4 S4 -","2","1","","Li, Zhuang-yu; Liu, Xiao-jing; Liu, E.; Jian, Fang-fang; Liang, Tongling","Crystal structure of 1,1′-bis(diphenylphosphino)ferrocene-(1,1′-bis(diphenylphosphino)ferrocene-κ2 P,P′)-(O-isobutyl sulfurodithioito-κ2 S,S′)copper(I), C39H37CuFeOP2S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","935","937","10.1515/ncrs-2020-0108","","","0.71073","MoKα","","0.0617","0.0455","","","0.1086","0.1212","","","","","","1.0521","","","","has coordinates,has disorder","275767","2022-06-03","08:35:02",""
"8105337","11.7911","0.0016","31.31","0.005","10.6883","0.0011","90","","90","","90","","3945.9","0.9","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H52 Ag2 N10 O8 S2 -","- C36 H52 Ag2 N10 O8 S2 -","- C144 H208 Ag8 N40 O32 S8 -","4","1","","Jiang, Jin-Ke; Yang, Gang; Sun, Li-Ying; Wang, Chun-Yan; Wang, Feng","Crystal structure of poly[(5-bimethylamino-1-naphthalenesulfonato-κO)-(μ3-hexamethylenetetramino-κ3 N:N′:N′′)silver(I)] dihydrate, C36H52Ag2N10O8S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","939","941","10.1515/ncrs-2020-0109","","","0.71073","MoKα","","0.0441","0.0353","","","0.073","0.0784","","","","","","1.074","","","","has coordinates","275768","2022-06-03","08:39:10",""
"8105338","7.014","0.001","7.4328","0.0013","8.9483","0.0016","103.303","0.007","103.719","0.006","103.634","0.006","419.73","0.12","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","2-amino-4,5-dicyanoimidazole sodium (I)","","- C10 H12 Cl0 N10 Na2 O4 -","- C10 H12 N10 Na2 O4 -","- C10 H12 N10 Na2 O4 -","1","0.5","","Mei, Xue; Jianlong, Wang; Sheng, Yan; Kaixin, Yang; Pengxiang, Gao; Jiale, Duan","Crystal structure of poly[μ2-diaqua-(μ2-2-amino-4,5-dicyano-κ2 N:N′-imidazol-1-ide)sodium(I)], C5H6N5O2Na","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","943","944","10.1515/ncrs-2020-0113","","","0.71073","MoKα","","0.0755","0.0622","","","0.1624","0.1795","","","","","","0.856","","","","has coordinates","275769","2022-06-03","08:47:03",""
"8105339","11.4214","0.0001","9.8842","0.0001","13.6893","0.0001","90","","106.436","0.001","90","","1482.25","0.02","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H24 Cl Co N4 O4 -","- C11 H24 Cl Co N4 O4 -","- C44 H96 Cl4 Co4 N16 O16 -","4","1","","Shin, Jiehye; Kang, Jaeun; Ok, Kang Min; Do, Junghwan","Crystal structure of (1,3-propanediamine-κ2 N,N′)(N-(3-aminopropyl)-α-methyl aspartato-κ4 N,N′,O,O′)cobalt(III) chloride, C11H24ClCoN4O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","945","946","10.1515/ncrs-2020-0115","","","0.71073","MoKα","","0.0252","0.0238","","","0.0608","0.0616","","","","","","1.05","","","","has coordinates","275770","2022-06-03","08:52:22",""
"8105340","8.5616","0.0004","11.6052","0.0006","14.1451","0.0008","66.617","0.006","82.391","0.004","69.072","0.004","1204.84","0.13","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H20 Cl2 F3 N O3 S -","- C26 H20 Cl2 F3 N O3 S -","- C52 H40 Cl4 F6 N2 O6 S2 -","2","1","","Yan, Wei-Bin; Liu, Yong-Jun; Hou, Gui-Ge; Cong, Wei; Meng, Qing-Guo","Crystal structure and anti-inflammatory activity of (3E,5E)-3,5-bis(4-fluorobenzylidene)-1-((4-fluorophenyl)sulfonyl)piperidin-4-one-dichloromethane (1/1), C26H20Cl2F3NO3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","947","949","10.1515/ncrs-2020-0116","","","0.71073","MoKα","","0.0569","0.046","","","0.1109","0.1206","","","","","","1.025","","","","has coordinates","275771","2022-06-03","09:05:27",""
"8105341","5.5244","0.0003","11.0915","0.0006","16.0339","0.0012","90","","90","","90","","982.46","0.11","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(<i>S</i>)-(+)-1-cyclohexylethylammoniumchloride","(<i>S</i>)-(+)-1-cyclohexylethan-1-aminiumchloride","","- C8 H18 Cl N -","- C8 H18 Cl N -","- C32 H72 Cl4 N4 -","4","1","","Scherer, Ann-Kathrin; Frank, Walter","Crystal structure of (S)-(+)-1-cyclohexylethylaminium chloride, C8H18NCl","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","951","953","10.1515/ncrs-2020-0121","","","0.71073","MoKα","","0.0296","0.0295","","","0.0784","0.0785","","","","","","1.186","","","","has coordinates","275857","2022-06-07","07:22:35",""
"8105342","12.237","0.003","11.058","0.003","23.235","0.006","90","","98.486","0.004","90","","3109.7","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","The crystal structure of tris(nitrato-κ^2^O,O') -bis(4,4,5,5-tetramethyl-2-(o-pyridyl) imidazoline-1-oxyl 3-oxide-κ^2^N,O) yttrium (III), C^24^H^32^N^9^O^13^Y","","- C24 H32 N9 O13 Y -","- C24 H32 N9 O13 Y -","- C96 H128 N36 O52 Y4 -","4","1","","Li, Dongjiao","The crystal structure of tris(nitrato-κ2 O,O′)-bis(4,4,5,5-tetramethyl-2-(o-pyridyl)imidazoline-1-oxyl 3-oxide-κ2 N,O)yttrium(III), C24H32N9O13Y","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","955","957","10.1515/ncrs-2020-0122","","","0.71073","MoKα","","0.0932","0.0455","","","0.0781","0.0903","","","","","","0.996","","","","has coordinates","275858","2022-06-07","07:25:21",""
"8105343","7.334","0.0001","14.4781","0.0003","8.6768","0.0002","90","","94.919","0.002","90","","917.93","0.03","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","Nicotin-1,1'-diium tetraiodidozincate(II) monohydrate","3-((1<i>R</i>,2<i>S</i>)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetraiodidozincate(II)","","- C10 H16 I4 N2 Zn -","- C10 H16 I4 N2 Zn -","- C20 H32 I8 N4 Zn2 -","2","1","","Reiss, Guido J.; Sergeeva, Alena","Hydrogen bonding versus packing effects in the crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetraiodidozincate(II), C10H16I4ZnN2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","959","962","10.1515/ncrs-2020-0123","","","0.71073","MoKα","","0.0172","0.0165","","","0.0394","0.0397","","","","","","1.066","","","","has coordinates","275859","2022-06-07","07:28:21",""
"8105344","8.151","0.0003","8.8021","0.0003","11.3953","0.0005","72.546","0.002","84.568","0.002","80.76","0.002","768.86","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 N2 O S -","- C19 H16 N2 O S -","- C38 H32 N4 O2 S2 -","2","1","","Hanft, Anna; Lichtenberg, Crispin","Dimerization of 2-[(2-((2-aminophenyl)thio)phenyl)amino]-cyclohepta-2,4,6-trien-1-one through hydrogen bonding, C19H16N2OS","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","963","966","10.1515/ncrs-2020-0124","","","0.71073","MoKα","","0.0765","0.0491","","","0.1299","0.1494","","","","","","0.936","","","","has coordinates","275860","2022-06-07","07:31:49",""
"8105345","13.544","0.005","9.344","0.003","13.545","0.005","90","","109.86","","90","","1612.2","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1-(4-chloro-phenyl)-7-ethoxy-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3- carboxylic acid","","","- C18 H12 Cl F2 N O4 -","- C18 H12 Cl F2 N O4 -","- C72 H48 Cl4 F8 N4 O16 -","4","1","","Zou, Liu-Hong; Nie, Xu-Liang; Zhao, Lei; Huang, Guo-Ping; Huang, Jian-Ping","Crystal structure of 1-(4-chloro-phenyl)-7-ethoxyl-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid, C18H12ClF2NO4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","967","969","10.1515/ncrs-2020-0125","","","0.71073","MoKα","","0.0549","0.0393","","","0.0953","0.1058","","","","","","1.03","","","","has coordinates,has disorder","275861","2022-06-07","07:35:55",""
"8105346","6.377","0.003","9.466","0.005","13.367","0.007","83.409","0.006","83.283","0.006","83.728","0.006","792.3","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","7-Ethoxy-6,8-difluoro-4-oxo-1-pyridin-2-ylmethyl-1,4-dihydro-quinoline-3- carboxylic acid","","","- C18 H14 F2 N2 O4 -","- C18 H14 F2 N2 O4 -","- C36 H28 F4 N4 O8 -","2","1","","Shu-Fang, Fang; Jia, Gu; Yuan-Zhen, Xiong; Guo-Ping, Huang; Jian-Ping, Huang","Crystal structure of 7-ethoxy-6,8-difluoro-4-oxo-1-pyridin-2-ylmethyl-1,4-dihydro-quinoline-3-carboxylic acid, C18H14F2N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","971","973","10.1515/ncrs-2020-0128","","","0.71073","MoKα","","0.0959","0.0587","","","0.1511","0.1814","","","","","","1.024","","","","has coordinates","275862","2022-06-07","07:49:45",""
"8105347","7.0011","0.0005","12.3136","0.0009","10.4847","0.0008","90","","105.734","0.002","90","","870.01","0.11","302","2","302","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C40 H52 O10 -","2","1","","He, Kang; Wang, Yu-Xue; Ye, Jiang-Hai; Zou, Juan; Zhao, Wei; Zhang, Jing-Jie; Zhang, Jin-Yi","Crystal structure of octahydro-7aR,8′R-dimethylspiro[isobenzofuran-4(1H), 4′ (3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-1′,3, 9′ (3aH,4′aH)-trione, C20H26O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","975","976","10.1515/ncrs-2020-0131","","","0.71073","MoKα","","0.0476","0.0384","","","0.0867","0.0925","","","","","","1.026","","","","has coordinates","275863","2022-06-07","07:53:31",""
"8105348","14.9473","0.0014","17.8744","0.0016","12.5536","0.0011","90","","122.596","0.005","90","","2825.7","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H38 Mn N2 O9 -","- C27 H38 Mn N2 O9 -","- C108 H152 Mn4 N8 O36 -","4","0.5","","Yuan, Ge; Dengwu, Wang; Xiaoping, Huo; Liguo, Yang; Cuihong, Zhang","Crystal structure of bis(5-ethoxy-2-(((1-hydroxy-2-methyl-3-oxidopropan-2-yl)imino)methyl)phenolato-κ3 N,O,O’)manganese(IV) – methanol (1/1), C27H38MnN2O9","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","977","978","10.1515/ncrs-2020-0134","","","0.71073","MoKα","","0.0508","0.0423","","","0.1218","0.1295","","","","","","1.058","","","","has coordinates,has disorder","275864","2022-06-07","07:56:08",""
"8105349","9.9886","0.0003","17.8995","0.0006","14.3437","0.0005","90","","98.141","0.003","90","","2538.68","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 B2 N2 O5 -","- C34 H22 B2 N2 O5 -","- C136 H88 B8 N8 O20 -","4","1","","Ding, Siyi; Ma, Qiang; Ren, Huaping; Miao, Zongcheng","Crystal structure of 8a,8a′′-oxybis(8aH-8,9-dioxa-3a1λ4-aza-8aλ4-borabenzo[fg]tetracene), C34H22B2N2O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","979","980","10.1515/ncrs-2020-0136","","","0.71073","MoKα","","0.0649","0.0391","","","0.0907","0.1022","","","","","","0.998","","","","has coordinates","275865","2022-06-07","07:59:46",""
"8105350","9.8316","0.0001","10.8781","0.0002","14.9388","0.0002","102.367","0.001","93.369","0.001","103.134","0.001","1510.07","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 As Br O Sn -","- C36 H30 As Br O Sn -","- C72 H60 As2 Br2 O2 Sn2 -","2","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of bromido-triphenyl-(triphenylarsine oxide-κO)tin(IV), C36H30AsBrOSn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","981","983","10.1515/ncrs-2020-0138","","","1.54184","CuKα","","0.0178","0.0175","","","0.0468","0.0469","","","","","","1.045","","","","has coordinates","275866","2022-06-07","08:02:44",""
"8105351","9.5129","0.0009","17.813","0.0017","15.2973","0.0012","90","","110.975","0.005","90","","2420.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cl2 Cu2 N4 O4 -","- C26 H18 Cl2 Cu2 N4 O4 -","- C104 H72 Cl8 Cu8 N16 O16 -","4","1","","Li, Xia; Liu, Shangjun; Shen, Mingle; Yan, Weihong","Crystal structure of catena-poly[chlorido-(μ2-formato-κ2 O:O′)-(1,10-phenathroline-κ2 N,N′)copper(II)], C26H18Cl2Cu2N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","985","986","10.1515/ncrs-2020-0142","","","0.71073","MoKα","","0.0309","0.0269","","","0.0905","0.0929","","","","","","1.046","","","","has coordinates","275867","2022-06-07","08:13:05",""
"8105352","14.6828","0.0015","9.8602","0.001","6.5024","0.0007","90","","101.36","0.004","90","","922.94","0.17","173","2","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H4 Na2 O6 -","- C9 H4 Na2 O6 -","- C36 H16 Na8 O24 -","4","0.5","","Li, Ting-Ting; Qin, Yu-Cai; Chen, Bao-Kuan","The crystal structure of poly[(μ10-5-carboxyisophthalato-κ10 O)disodium], C9H4Na2O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","987","988","10.1515/ncrs-2020-0143","","","0.71073","MoKα","","0.0535","0.0337","","","0.0707","0.0775","","","","","","1.042","","","","has coordinates","275868","2022-06-07","08:17:24",""
"8105353","6.805","0.001","6.8443","0.0009","12.7196","0.0014","90","","94.562","0.004","90","","590.54","0.13","150","2","149.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H3 F2 N O2 -","- C6 H3 F2 N O2 -","- C24 H12 F8 N4 O8 -","4","1","","Zeng, Yan; Du, Chao-Jun","The crystal structure of 3,5-difluoroisonicotinic acid, C6H3F2NO2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","989","990","10.1515/ncrs-2020-0144","","","0.71073","MoKα","","0.0603","0.0395","","","0.0972","0.1038","","","","","","1.179","","","","has coordinates","275869","2022-06-07","08:21:40",""
"8105354","6.4977","0.0005","28.728","0.002","10.1806","0.0008","90","","101.549","0.003","90","","1861.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ethyl-1-(N-(adamantan-1-yl)-carbamothioyl)piperidine-4-carboxylate","","","- C19 H30 N2 O2 S -","- C19 H30 N2 O2 S -","- C76 H120 N8 O8 S4 -","4","1","","Bari, Ahmed; Ali, Syed Saeed; Alghadeer, Abdulrahman M.; Alturki, Turki; Hosten, Eric C.","The crystal structure of ethyl-1-(N-(adamantan-1-yl)-carbamothioyl)piperidine-4-carboxylate, C19H30N2O2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","991","992","10.1515/ncrs-2020-0145","","","0.71073","MoKα","","0.0552","0.046","","","0.116","0.1213","","","","","","1.069","","","","has coordinates","275870","2022-06-07","08:25:02",""
"8105355","16.792","0.005","9.153","0.003","22.809","0.006","90","","90","","90","","3505.7","1.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O2 S -","- C19 H21 N O2 S -","- C152 H168 N8 O16 S8 -","8","1","","Liu, Huixia; Huang, Xie; He, Wei","Crystal structure of 5-methyl-3-phenyl-1-tosyl-1,2,3,4-tetrahydropyridine, C19H21NO2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","993","994","10.1515/ncrs-2020-0150","","","0.71073","MoKα","","0.1196","0.0622","","","0.125","0.1494","","","","","","1.023","","","","has coordinates","275871","2022-06-07","08:27:47",""
"8105356","12.5166","0.0012","12.5881","0.0014","19.0086","0.0019","90","","90","","90","","2995","0.5","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Crystal structure of bis(3-chlorosalicylidene)-ethylenediaminato)-Nickel (II), C~16~H~12~Cl~2~NiN~2~O~2~","","- C16 H12 Cl2 N2 Ni O2 -","- C16 H12 Cl2 N2 Ni O2 -","- C128 H96 Cl16 N16 Ni8 O16 -","8","1","","Xiao, Jianchang; Zhou, Cun; Tan, Hui; Huang, Meifen; Wu, Qiong","Crystal structure of bis((3-chlorosalicylidene)-ethylenediaminato-κ4N,N′,O,O′)nickel (II), C16H12Cl2NiN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","995","996","10.1515/ncrs-2020-0151","","","0.71073","MoKα","","0.0871","0.0435","","","0.0744","0.0826","","","","","","0.993","","","","has coordinates","275872","2022-06-07","08:30:51",""
"8105357","10.223","0.008","13.407","0.009","13.786","0.009","90","","109.825","0.005","90","","1778","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl N2 O5 -","- C18 H17 Cl N2 O5 -","- C72 H68 Cl4 N8 O20 -","4","1","","Chen, Juan; Liu, Zhe; Yan, Haijun","Crystal structure of (E)-N′-(2-chloro-6-hydroxybenzylidene)-4-hydroxybenzohydrazide — dihydrofuran-2(3H)-one (1/1), C18H17ClN2O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","997","998","10.1515/ncrs-2020-0153","","","0.71073","MoKα","","0.1535","0.0912","","","0.161","0.1867","","","","","","1.07","","","","has coordinates","275873","2022-06-07","08:36:57",""
"8105358","11.7989","0.0009","11.9007","0.0007","12.7164","0.0017","90","","119.779","0.007","90","","1549.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Crystal constructure of bis(3-chlorosalicylidene)-1,2-propanediamine)-nickel(ii), C~16~H~14~Br~2~NiN~2~O~2~","","- C16 H12 Br2 N2 Ni O2 -","- C16 H12 Br2 N2 Ni O2 -","- C64 H48 Br8 N8 Ni4 O8 -","4","1","","Xiao, Jianchang; Zhou, Cun; Xindi, Xu; Lei, Hua; Wu, Qiong","Crystal structure of bis((3-bromosalicylidene)-ethylenediaminato-κ4 N,N′,O,O′) nickel (II), C16H12Br2NiN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","999","1000","10.1515/ncrs-2020-0154","","","0.71073","MoKα","","0.0443","0.0324","","","0.0649","0.0687","","","","","","1.068","","","","has coordinates","275874","2022-06-07","08:39:57",""
"8105359","8.4397","0.0003","15.6692","0.0005","12.5989","0.0004","90","","93.858","0.001","90","","1662.35","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trimethylsulfoxonium tetrachloridocobaltate","","- C6 H18 Cl4 Co O2 S2 -","- C6 H18 Cl4 Co O2 S2 -","- C24 H72 Cl16 Co4 O8 S8 -","4","1","","Zhong, Xin; Zhou, Junyan; Hao, Munan","Crystal structure of trimethylsulfoxonium tetrachloridocobaltate(II) [(CH3)3SO]2CoCl4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","1001","1002","10.1515/ncrs-2020-0159","","","0.71073","MoKα","","0.0808","0.0408","","","0.0807","0.0965","","","","","","1.028","","","","has coordinates","275875","2022-06-07","08:43:24",""
"8105360","6.6084","0.0009","10.8811","0.0016","12.0845","0.0016","85.719","0.006","79.547","0.005","89.903","0.005","852.1","0.2","173","2","173","2","","","","","","","","3","P 1","P 1","1","","isopimara-7,15-dien-3-one","","- C20 H30 O -","- C20 H30 O -","- C40 H60 O2 -","2","2","","Dong, Ming-Hong; Ye, Jiang-Hai; Zhao, Chen-Liang; Zhou, Lang; Zou, Juan; Zhang, Jing-Jie","Crystal structure of isopimara-7,15-dien-3-one, C20H30O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1003","1005","10.1515/ncrs-2020-0037","","","0.71076","MoKα","","0.0839","0.0744","","","0.1841","0.1953","","","","","","0.722","","","","has coordinates","275876","2022-06-07","08:47:27",""
"8105361","3.7015","0.0002","7.392","0.0004","21.3535","0.0012","90","","91.06","0.005","90","","584.16","0.06","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cu N4 O4 -","- C12 H10 Cu N4 O4 -","- C24 H20 Cu2 N8 O8 -","2","0.5","","Du, Xigang; Wang, Chunwei","Crystal structure of bis(6-aminopyridine-2-carboxylato-κ2 O,N)-copper(II), C12H10O6N4Cu","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1007","1008","10.1515/ncrs-2020-0041","","x-ray","0.71073","MoKα","","0.0355","0.0319","","","0.075","0.0769","","","","","","1.122","","","","has coordinates","275907","2022-06-08","08:27:52",""
"8105362","37.6829","0.0014","7.4695","0.0003","17.4881","0.0007","90","","95.269","0.003","90","","4901.6","0.3","123.15","","123.15","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C38 H24 -","- C38 H24 -","- C304 H192 -","8","1","","Bin, Zhang; Xin, Chen; Songhua, Chen","Crystal structure of 5,6-diphenyldibenzo[c, g]chrysene, C38H24","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1009","1010","10.1515/ncrs-2020-0112","","x-ray","0.71073","MoKα","","0.0718","0.0472","","","0.1077","0.1177","","","","","","1.025","","","","has coordinates","275908","2022-06-08","08:31:55",""
"8105363","17.4714","0.0012","10.918","0.0007","20.0697","0.0014","90","","90","","90","","3828.4","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N2 O8 Zn -","- C18 H19 N2 O8 Zn -","- C144 H152 N16 O64 Zn8 -","8","1","","Li, Guoqiang; Chen, Guo; Liu, Yanping; Wang, Gao; Liu, Liyu","Poly[bis(dimethylformamide-κO)-(μ8-5,5′′-dicarboxy-[1,1′:4′,1′′-terphenyl]-2′,3,3′′,5′-tetracarboxylato-κ8 O:O 1:O 2:O 3:O 4:O 5:O 6:O 7)dizinc(II)] — dimethylformamide (1/2), C18H19N2O8Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1011","1013","10.1515/ncrs-2020-0117","","","0.71073","MoKα","","0.0761","0.0449","","","0.1211","0.1492","","","","","","1.083","","","","has coordinates","275909","2022-06-08","08:35:43",""
"8105364","10.5247","0.0011","19.0823","0.0019","10.5502","0.0011","90","","112.641","0.002","90","","1955.6","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Mn N4 O16 -","- C36 H40 Mn N4 O16 -","- C72 H80 Mn2 N8 O32 -","2","0.5","","Li, Guoqiang; Chen, Guo; Liu, Yanping; Wang, Gao; Liu, Liyu","The crystal structure of poly[bis(N,N-dimethylformamide-κ1 O)(μ4- 2′,5,5′,5′′-tetracarboxy-[1,1′:4′,1′′-terphenyl]-3,3′′-dicarboxylato-κ4 O:O′:O′′:O′′′)manganese(II)] — N,N-dimethylformamide (1/2), C36H40N4O16Mn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1015","1017","10.1515/ncrs-2020-0118","","","0.71073","MoKα","","0.0934","0.0619","","","0.1601","0.1741","","","","","","0.95","","","","has coordinates,has disorder","275910","2022-06-08","08:38:27",""
"8105365","7.249","0.002","8.265","0.003","12.786","0.004","82.449","0.011","75.21","0.01","83.977","0.011","732.2","0.4","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 N4 O2 S -","- C16 H12 N4 O2 S -","- C32 H24 N8 O4 S2 -","2","1","","Songhua, Chen; Bin, Zhang; Xin, Chen; Yongqi, Liu","Crystal structure of N,N-dimethyl-4-((7-nitrobenzo[c][1,2,5]thiadiazol-4-yl)ethynyl)aniline, C16H12N4O2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1019","1020","10.1515/ncrs-2020-0126","","sealed tube","0.71073","MoKα","x-ray","0.0801","0.0669","","","0.1643","0.1726","","","","","","1.185","","","","has coordinates","275911","2022-06-08","08:41:07",""
"8105366","9.258","0.0017","11.95","0.002","13.076","0.002","90","","99.15","0.002","90","","1428.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 B N O3 -","- C18 H14 B N O3 -","- C72 H56 B4 N4 O12 -","4","1","","Ding, Siyi; Ma, Qiang; Zhu, Min; Miao, Zongcheng","The crystal structure of 8a-methoxy 8a-methoxy-1,5,8a,9a-tetrahydro-4H-8,9-dioxa-3a1λ4-aza-8aλ4, C18H14BNO3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1021","1022","10.1515/ncrs-2020-0133","","","0.71073","MoKα","","0.0632","0.0412","","","0.0978","0.1087","","","","","","1.017","","","","has coordinates","275912","2022-06-08","09:02:01",""
"8105367","7.8425","0.0003","18.1807","0.001","17.0436","0.0007","90","","95.133","0.003","90","","2420.37","0.19","293.18","0.1","293.18","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Co N5 O8 -","- C22 H25 Co N5 O8 -","- C88 H100 Co4 N20 O32 -","4","1","","Zhao, Ying","Crystal structure of poly[diaqua-(μ2-5-isopropoxyisophthalato-κ2 O:O′)-(μ2-(1,3-bis(3,5-di(1H-imidazol-1-yl)pyridine))-κ2 N:N′)cobalt(II)] monohydrate, C22H25N5O8Co","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1023","1025","10.1515/ncrs-2020-0135","","x-ray","0.71073","MoKα","","0.0807","0.0538","","","0.0944","0.1069","","","","","","1.0417","","","","has coordinates","275913","2022-06-08","09:05:49",""
"8105368","7.4259","0.0005","6.6115","0.0005","21.9579","0.0014","90","","93.073","0.002","90","","1076.5","0.13","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","acetoximium 1'-hydroxy-1H,1H'-5,5'-bitetrazole-1-olate monohydrate","","- C5 H11 N9 O4 -","- C5 H11 N9 O4 -","- C20 H44 N36 O16 -","4","1","","Rubian, Cao; Lizhen, Chen; Jianlong, Wang; Luting, Wang","The crystal structure of acetoximium 1′-hydroxy-1H,1H′-5,5′-bitetrazole-1-olate monohydrate, C5H11N9O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1027","1028","10.1515/ncrs-2020-0140","","x-ray","0.71073","MoKα","","0.1102","0.0545","","","0.0994","0.1234","","","","","","1.063","","","","has coordinates","275914","2022-06-08","09:08:28",""
"8105369","6.5994","0.0013","10.754","0.002","19.754","0.004","90","","96.267","0.002","90","","1393.6","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3-(2-ethoxy-2-oxoethyl)-1-vinyl-1H-imidazol-3-ium hexafluoridophosphate","","","- C9 H13 F6 N2 O2 P -","- C9 H13 F6 N2 O2 P -","- C36 H52 F24 N8 O8 P4 -","4","1","","Xiong, Wan-Ming; Huang, Ting; Liao, Sheng; Chen, Jing; Nie, Xu-Liang","Crystal structure of 3-(2-ethoxy-2-oxoethyl)-1-vinyl-1H-imidazol-3-ium hexafluoridophosphate(V), C9H13F6N2O2P","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1029","1031","10.1515/ncrs-2020-0147","","","0.71073","MoKα","","0.0834","0.0674","","","0.1943","0.2124","","","","","","1.05","","","","has coordinates","275915","2022-06-08","09:11:30",""
"8105370","8.8463","0.0003","9.0275","0.0003","15.6752","0.0005","78.033","0.003","88.988","0.003","84.843","0.003","1219.66","0.07","291","","291","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Cd N4 O6 -","- C28 H22 Cd N4 O6 -","- C56 H44 Cd2 N8 O12 -","2","1","","Li, Kai-Hui; Liu, Chong","The crystal structure of catena-poly[(μ2-4-(benzo[d]imidazol-2-yl)benzenecarboxylato-κ2 N,O)-(μ2-4-(benzo[d]imidazol-2-yl)benzenecarboxylato-κ3 N,O:O′)cadmium(II)]dihydrate, C28H22CdN4O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1033","1035","10.1515/ncrs-2020-0149","","x-ray","0.71073","MoKα","","0.0391","0.0333","","","0.0702","0.0732","","","","","","1.045","","","","has coordinates","275916","2022-06-08","09:15:12",""
"8105371","7.4945","0.0007","7.2336","0.0006","11.5401","0.001","90","","92.555","0.002","90","","624.99","0.1","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","(2R,4S)-hydroxyketamine","(2R,4S)-2-(2-chlorophenyl)-4-hydroxy-2-methylamino)-cyclohexanone","","- C13 H16 Cl N O2 -","- C13 H16 Cl N O2 -","- C26 H32 Cl2 N2 O4 -","2","1","","Reiss, Guido J.; Urlacher, Vlada B.; Luelf, U. Joost","Enzyme-mediated synthesis and crystal structure of (2R,4S)-hydroxyketamine, C13H16ClNO2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1037","1039","10.1515/ncrs-2020-0157","","","0.71073","MoKα","","0.0445","0.0415","","","0.0929","0.0947","","","","","","1.034","","","","has coordinates","275917","2022-06-08","09:18:40",""
"8105372","7.8738","0.0007","12.012","0.002","12.182","0.002","85.635","0.016","81.077","0.014","74.54","0.014","1096.3","0.3","96.5","","96.5","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Mn N10 O2 S2 -","- C16 H18 Mn N10 O2 S2 -","- C32 H36 Mn2 N20 O4 S4 -","2","1","","Chu, Jin-Feng","The crystal structure of bis(isothiocyanato-κ1 N)-(methanol-κ1 O)-[2-morpholine-4-yl-4,6-di(pyrazol-1-yl)-1,3,5-triazine-κ3 N,N′,N′′] manganese(II), C16H18MnN10O2S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1041","1043","10.1515/ncrs-2020-0161","","","0.7107","MoKα","","0.0429","0.0353","","","0.0841","0.0896","","","","","","1.037","","","","has coordinates","275918","2022-06-08","09:23:04",""
"8105373","9.85","0.003","9.642","0.003","14.249","0.004","90","","91.21","0.003","90","","1353","0.7","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Cl2 Cu F6 N2 O2 -","- C28 H16 Cl2 Cu F6 N2 O2 -","- C56 H32 Cl4 Cu2 F12 N4 O4 -","2","0.5","","Xiao, Yan; Cao, Chenzhong","Crystal structure of bis{5-chloro-2-(((4-trifluoromethyl)imino)methyl)phenolato-κ2 N,O}copper(II), C28H16Cl2CuF6N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1045","1046","10.1515/ncrs-2020-0162","","","0.71073","MoKα","","0.0482","0.0377","","","0.0999","0.1066","","","","","","1.049","","","","has coordinates","275919","2022-06-08","09:26:01",""
"8105374","34.18","0.005","7.6817","0.0003","21.421","0.003","90","","137.93","0.03","90","","3769","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H16 I5 N2 O -","- C8 H16 I5 N2 O -","- C64 H128 I40 N16 O8 -","8","1","","Reiss, Guido J.","Crystal structure of bis(1,3-phenylenedimethanaminium) bis(triiodide) tetraiodide – water (1/2) , C8H16I5N2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1047","1050","10.1515/ncrs-2020-0164","","","0.71073","MoKα","","0.0558","0.0364","","","0.0681","0.0737","","","","","","1.3","","","","has coordinates","275920","2022-06-08","09:28:39",""
"8105375","19.1142","0.0007","11.6722","0.0005","9.239","0.0003","90","","90","","90","","2061.26","0.13","100.02","0.1","100.02","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H18 F3 N O3 S -","- C25 H18 F3 N O3 S -","- C100 H72 F12 N4 O12 S4 -","4","1","","Zhang, Jia-Jing; Chen, Dian-Xing; Lv, Liang-Yan; Qi, Cong-Hui; Xu, Wei-Cheng; Hou, Gui-Ge","Crystal structure and anti-inflammatory activity of (3E,5E)-3,5-bis(2-fluorobenzylidene)-1-((4-fluorophenyl)sulfonyl)piperidin-4-one, C25H18F3NO3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1051","1053","10.1515/ncrs-2020-0165","","","0.71073","MoKα","","0.0502","0.0422","","","0.0912","0.0974","","","","","","1.038","","","","has coordinates","275954","2022-06-10","08:27:00",""
"8105376","16.911","0.003","9.516","0.002","16.79","0.003","90","","100.83","0.004","90","","2653.8","0.9","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","CHOPPt","","- C30 H32 O6 P2 Pt -","- C30 H32 O6 P2 Pt -","- C120 H128 O24 P8 Pt4 -","4","0.5","","Moyo, Pamela; Matsinha, Leah; Banothile, C.E. Makhubela","The crystal structure of bis{3-(diphenylphosphaneyl)propanoato-κ2 O,P}platinum(II) dihydrate, C30H28O6P2Pt","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1055","1057","10.1515/ncrs-2020-0167","","x-ray","0.71073","MoKα","","0.0128","0.0127","","","0.0315","0.0315","","","","","","1.0433","","","","has coordinates","275955","2022-06-10","08:31:16",""
"8105377","6.9734","0.0005","9.0402","0.0007","16.0963","0.0012","98.977","0.006","92.867","0.006","97.501","0.006","991.15","0.13","293.2","0.4","293.2","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 F O4 -","- C24 H21 F O4 -","- C48 H42 F2 O8 -","2","1","","Zhang, Min; Lin, Jin-Yuan; Liu, Jing; Ruan, Ban-Feng","The crystal structure of (E)-2-(4-((4-fluorobenzyl)oxy)styryl)-4,6-dimethoxybenzaldehyde, C24H21FO4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1059","1061","10.1515/ncrs-2020-0168","","","0.7107","MoKα","","0.0808","0.054","","","0.1174","0.1406","","","","","","1.06","","","","has coordinates","275956","2022-06-10","08:34:24",""
"8105378","11.675","0.009","9.884","0.008","23.225","0.017","90","","90","","90","","2680","4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H26 N8 Ni O4 -","- C28 H26 N8 Ni O4 -","- C112 H104 N32 Ni4 O16 -","4","0.5","","Li, Li","Crystal structure of bis[3-methoxy-N-(1-(pyrazin-2-yl)ethylidene)benzohydrazonato-κ3 O,N,N′]nickel(II), C28H26N8O4Ni","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1063","1064","10.1515/ncrs-2020-0170","","","0.71073","MoKα","","0.0853","0.0495","","","0.1141","0.1329","","","","","","1.021","","","","has coordinates","275957","2022-06-10","08:43:19",""
"8105379","18.4206","0.0015","8.8283","0.0007","17.0215","0.0014","90","","110.253","0.004","90","","2596.9","0.4","298","2","298.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 N4 O2 -","- C14 H12 N4 O2 -","- C112 H96 N32 O16 -","8","1","","Yu, Xiang; Huang, Ling; Zhou, Xing-Ji; Chen, Ya-Fang","Crystal structure of 1-(2-(pyridin-2-yl)-5-(pyridin-3-yl)-1,3,4-oxadiazol-3(2H)-yl)ethan-1-one, C14H12N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1065","1066","10.1515/ncrs-2020-0173","","","0.71073","MoKα","","0.112","0.0715","","","0.1736","0.2072","","","","","","1.026","","","","has coordinates","275958","2022-06-10","08:47:28",""
"8105380","7.6557","0.0007","11.0905","0.0008","11.3544","0.0009","61.643","0.001","73.6","0.002","75.397","0.002","805.86","0.11","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C36 H28 N8 O4 -","2","1","","Yu, Xiang; Peng, Lu; Wang, Xin; Chen, Ya-Fang","Synthesis and crystal structure of 3-N-acetyl-5-(pyridin-3-yl)-2-(quinolin-2-yl)-1,3,4-oxadiazoline, C18H14N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1067","1068","10.1515/ncrs-2020-0174","","","0.71073","MoKα","","0.0976","0.0609","","","0.1478","0.1633","","","","","","0.939","","","","has coordinates","275959","2022-06-10","08:50:56",""
"8105381","9.0431","0.0018","9.977","0.0019","11.623","0.002","102.375","0.003","109.641","0.003","99.834","0.002","930.5","0.3","128.15","","128.15","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","2","","Shi, Xiao-Ming; Xiao, Li-Na; Peng, Peng","Crystal structure of 2-methyl-1H-perimidine, C12H10N2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1069","1071","10.1515/ncrs-2020-0175","","","0.71073","MoKα","","0.0437","0.0395","","","0.1076","0.1105","","","","","","1.059","","","","has coordinates","275960","2022-06-10","08:53:51",""
"8105382","7.5952","0.0011","9.4729","0.0013","16.26","0.002","76.559","0.002","87.394","0.002","73.886","0.002","1092.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12.5 H9.5 N2.5 O2 -","- C12.5 H9.5 N2.5 O2 -","- C50 H38 N10 O8 -","4","2","","Huang, Haiqing; Xu, Li","Crystal structure of (E)-2-(5,5-dimethyl-3-(4-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)oxy)styryl)cyclohex-2-en-1-ylidene)malononitrile, C25H19N5O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1073","1075","10.1515/ncrs-2020-0176","","","0.71073","MoKα","","0.0687","0.0433","","","0.1104","0.1293","","","","","","0.977","","","","has coordinates","275961","2022-06-10","08:57:08",""
"8105383","7.9654","0.0003","23.691","0.0008","21.2314","0.0008","90","","96.777","0.002","90","","3978.5","0.3","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","Knipholone","1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-4,5-dihydroxy-2-methylanthraquinone","","- C24 H18 O8 -","- C24 H18 O8 -","- C192 H144 O64 -","8","4","","Hlangothi, Buyiswa G.; Mahanjana, Lungelwa; Hosten, Eric C.; van Heerden, Fanie R.; van de Venter, Maryna","Structural elucidation of 1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-4,5-dihydroxy-2-methylanthracene-9,10-dione isolated from Bulbine latifolia (L.) Wild, C24H18O8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1077","1081","10.1515/ncrs-2020-0177","","","0.71073","MoKα","","0.0647","0.0499","","","0.1238","0.132","","","","","","1.037","","","","has coordinates","275962","2022-06-10","09:00:37",""
"8105384","13.76","0.005","4.9003","0.0018","19.125","0.007","90","","101.331","0.005","90","","1264.4","0.8","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-cinnamoyl-4-hydroxybenzoic acid","","","- C16 H12 O4 -","- C16 H12 O4 -","- C64 H48 O16 -","4","1","","Guo, Chun-Mei; Song, Xiu-Ying; Wang, Mi-Na; Gu, Jia; Nie, Xu-Liang","Crystal structure of 3-cinnamoyl-4-hydroxybenzoic acid, C16H12O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1083","1085","10.1515/ncrs-2020-0178","","","0.71073","MoKα","","0.0565","0.0383","","","0.0961","0.1072","","","","","","1.021","","","","has coordinates","275978","2022-06-13","07:14:25",""
"8105385","9.9709","0.0002","7.1597","0.0002","15.4572","0.0004","90","","108.401","0.001","90","","1047.05","0.05","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-[bis(<i>μ</i>~4~-2, 3-pyridinedicarboxylato)-(<i>μ</i>~2~– oxalyl dihydrazide)-di-cadmium(II) dihydrate]","","- C8 H8 Cd N3 O6 -","- C8 H8 Cd N3 O6 -","- C32 H32 Cd4 N12 O24 -","4","1","","Ran, Jingwen; Pei, Jun; Du, Zhiwei","The crystal structure of poly[bis(μ 4-2,3-pyridinedicarboxylato)-(μ 2-oxalyl dihydrazide)-dicadmium(II) dihydrate], C16H16O12N6Cd2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1087","1089","10.1515/ncrs-2020-0180","","","0.71073","MoKα","","0.0191","0.0168","","","0.0391","0.0401","","","","","","1.068","","","","has coordinates","275979","2022-06-13","07:20:21",""
"8105386","11.7848","0.0003","10.0857","0.0003","12.2695","0.0004","90","","111.202","0.001","90","","1359.62","0.07","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Br N O2 -","- C15 H12 Br N O2 -","- C60 H48 Br4 N4 O8 -","4","1","","Jin, Yi; Fu, Tao; Ma, Bo-Yang; Wei, Ping; Zhao, Ji-Xing; Zhao, Li","Synthesis and crystal structure of 1-{4-[(3-bromo-2-hydroxy-benzylidene)amino]phenyl}ethanone, C15H12BrNO2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1091","1092","10.1515/ncrs-2020-0181","","","0.71073","MoKα","","0.0448","0.0306","","","0.0656","0.0745","","","","","","1.038","","","","has coordinates","275980","2022-06-13","07:24:11",""
"8105387","8.097","0.0003","12.7315","0.0004","12.8542","0.0004","90","","93.785","0.001","90","","1322.21","0.08","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Br N O2 -","- C15 H12 Br N O2 -","- C60 H48 Br4 N4 O8 -","4","1","","Ma, Bo-Yang; Fu, Tao; Jin, Yi; Wei, Ping; Zhao, Ji-Xing; Zhao, Li","Synthesis and crystal structure of 1-{4-[(2-bromo-6-hydroxy-benzylidene)amino]phenyl}ethanone, C15H12BrNO2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1093","1094","10.1515/ncrs-2020-0182","","","0.71073","MoKα","","0.0259","0.021","","","0.0551","0.057","","","","","","1.067","","","","has coordinates","275981","2022-06-13","07:29:07",""
"8105388","14.4994","0.0016","19.799","0.002","20.04","0.002","90","","90","","90","","5753","1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H44 Cl N5 Ni O7 -","- C23 H44 Cl N5 Ni O7 -","- C184 H352 Cl8 N40 Ni8 O56 -","8","2","","Ou, Guang-Chuan; Zhou, Qiang; Wang, Qiong","Crystal structure of (4-aminobenzoato-κ2 O,O′)-[5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4 N,N′,N′′,N′′′]nickel(II) perchlorate monohydrate, C23H44ClN5NiO7","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1095","1097","10.1515/ncrs-2020-0184","","","0.71073","MoKα","","0.0594","0.0409","","","0.0963","0.1061","","","","","","1.055","","","","has coordinates","275982","2022-06-13","07:32:17",""
"8105389","17.9898","0.0008","4.6412","0.0002","30.3832","0.0015","90","","93.072","0.003","90","","2533.2","0.2","173","2","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 F N O2 -","- C15 H12 F N O2 -","- C120 H96 F8 N8 O16 -","8","1","","Jin, Yi; Fu, Tao; Ma, Bo-Yang; Wei, Ping; Zhao, Ji-Xing; Zhao, Li","Crystal structure of 1-{4-[(4-fluoro-2-hydroxy-benzylidene)amino]phenyl}ethanone, C15H12FNO2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1099","1100","10.1515/ncrs-2020-0186","","","0.71073","MoKα","","0.0998","0.0568","","","0.1169","0.1399","","","","","","1.036","","","","has coordinates,has disorder","275984","2022-06-13","07:35:59",""
"8105390","17.198","0.002","12.9497","0.0011","20.496","0.002","90","","90","","90","","4564.6","0.8","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C34 H57 B Br6 N6 O4 V2 -","- C34 H57 B Br6 N6 O4 V2 -","- C136 H228 B4 Br24 N24 O16 V8 -","4","1","","Bonitatibus, Peter J.; Armstrong, William H.; Reiss, Guido J.","Preparation and crystal structure of a non-symmetrical vanadium(II) dimer: tri-μ2-bromido-(hydrogen-tris(3-isopropyl-4-bromopyrazol-1-yl)borato-κ3 N,N′,N′′)-tris(tetrahydrofuran-κO)divanadium(II) – tetrahydrofuran (1/1), C34H57BBr6N6O4V2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1101","1103","10.1515/ncrs-2020-0187","","","0.71073","MoKα","","0.0498","0.0441","","","0.1049","0.1093","","","","","","1.096","","","","has coordinates","275985","2022-06-13","07:41:56",""
"8105391","16.052","0.0005","19.189","0.0005","16.7292","0.0004","90","","93.064","0.001","90","","5145.6","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Co N4 O4 -","- C30 H26 Co N4 O4 -","- C240 H208 Co8 N32 O32 -","8","1","","Jin, Yi; Fu, Tao; Ma, Bo-Yang; Wei, Ping; Zhao, Ji-Xing; Zhao, Li","Crystal structure of bis{2-(((4-(1-(hydroxyl-imino)ethyl)phenyl)imino)methyl)phenolato-κ2 N,O}cobalt(II), C30H26CoN4O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1105","1107","10.1515/ncrs-2020-0189","","","0.71073","MoKα","","0.055","0.04","","","0.0854","0.0932","","","","","","1.05","","","","has coordinates","275986","2022-06-13","07:47:58",""
"8105392","8.343","0.004","7.367","0.003","31.532","0.014","90","","97.398","0.008","90","","1921.9","1.5","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N4 O6 S -","- C19 H18 N4 O6 S -","- C76 H72 N16 O24 S4 -","4","1","","Chen, Xiao-Miao; Liu, Zheng-Jun; Cheng, Jing-Song; Zhao, Rong-Fei; Qin, Lan","Crystal structure of 3-((3-nitrophenyl)sulfonamido)propanoic acid — 4,4′-bipyridine (1/1), C19H18N4O6S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1109","1111","10.1515/ncrs-2020-0190","","","0.71073","MoKα","","0.0584","0.042","","","0.1084","0.1158","","","","","","1.053","","","","has coordinates","275987","2022-06-13","07:51:04",""
"8105393","8.5834","0.0004","10.7034","0.0005","17.6105","0.0008","99.328","0.004","100.58","0.004","95.281","0.004","1556.95","0.13","292.3","0.1","292.3","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H52 Cd2 N4 O18 -","- C76 H52 Cd2 N4 O18 -","- C76 H52 Cd2 N4 O18 -","1","0.5","","Li, Peng-Jiang; Chen, Shi-Jun; Yu, Zhi-Bin; Li, Shi-Hui","Crystal structure of cyclo[diaqua-bis(μ2-3′,5-dicarboxy-[1,1′-biphenyl]-3,4′-dicarboxylato-κ4 O,O′:O′′,O′′′)-bis(4,4′-bis(pyrid-4-yl)biphenyl-K1 N)dicadmium(II)], C76H52Cd2N4O18","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1113","1114","10.1515/ncrs-2020-0192","","","","","","0.0623","0.0477","","","","","","","","","","0.847","","","","has coordinates","275988","2022-06-13","07:54:02",""
"8105394","10.789","0.003","6.959","0.003","15.196","0.004","90","","96.843","0.013","90","","1132.8","0.7","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C11 H19 N3 S -","- C11 H19 N3 S -","- C44 H76 N12 S4 -","4","0.5","","Al-Mutairi, Aamal A.; Al-Alshaikh, Monirah A.; Ghabbour, Hazem A.; Tiekink, Edward R.T.; El-Emam, Ali A.","Crystal structure of 1-(adamantan-1-yl)-3-aminothiourea, C11H19N3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1115","1117","10.1515/ncrs-2020-0195","","","0.71073","MoKα","","0.0931","0.0568","","","0.1253","0.1414","","","","","","1.039","","","","has coordinates","275989","2022-06-13","07:57:13",""
"8105395","7.6085","0.0005","23.5084","0.0014","15.8052","0.0009","90","","94.207","0.006","90","","2819.4","0.3","290.11","0.1","290.11","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N2 Ni O11 -","- C32 H26 N2 Ni O11 -","- C128 H104 N8 Ni4 O44 -","4","1","","Chen, Shi-Jun; Li, Shi-Hui; Zhao, Yan","Crystal structure of catena-poly[triaqua-(μ2-1,4-di(pyridin-4-yl)benzene-κ2 N:N′)-(3′,5-dicarboxy-[1,1′-biphenyl]-3,4′-dicarboxylato-κO)nickel(II)], C32H26N2O11Ni","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1119","1121","10.1515/ncrs-2020-0196","","x-ray","0.71073","MoKα","","0.0803","0.0571","","","0.1162","0.1285","","","","","","1.065","","","","has coordinates","275990","2022-06-13","08:00:51",""
"8105396","16.7294","0.0005","6.4985","0.0002","7.1414","0.0002","90","","100.449","0.003","90","","763.51","0.04","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C19 H13 N O5 Zn -","- C19 H13 N O5 Zn -","- C38 H26 N2 O10 Zn2 -","2","0.5","","Fang, Hui-Long; Zhu, Li-Zhi; Li, Biao; Wang, Jun-Jie","Crystal structure of catena-poly[aqua-(μ4-4,4′-(pyridine-3,5-diyl)dibenzoato-κ4 O,O′:O′′:O′′′)zinc(II)], C19H13NO5Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1123","1124","10.1515/ncrs-2020-0197","","","0.71073","MoKα","","0.0387","0.0297","","","0.0688","0.0732","","","","","","1.056","","","","has coordinates","275991","2022-06-13","08:09:16",""
"8105397","11.3207","0.0006","11.9296","0.0006","13.6079","0.0008","115.195","0.005","103.259","0.005","97.356","0.004","1564.57","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H28 N2 O10 -","- C38 H28 N2 O10 -","- C76 H56 N4 O20 -","2","1","","Hu, Xu-Ze; Zhao, Yan","Crystal structure of 4-(4′-(pyridin-4-yl)-[1,1′-biphenyl]-4-yl)pyridin-1-ium 2-carboxy-4-(3,5-dicarboxyphenoxy)benzoate hydrate, C38H28N2O10","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1125","1127","10.1515/ncrs-2020-0198","","","0.71073","MoKα","","0.0788","0.0537","","","0.1173","0.1286","","","","","","1.023","","","","has coordinates","275992","2022-06-13","08:49:02",""
"8105398","7.5098","0.0004","7.8881","0.0004","20.8904","0.0014","97.002","0.005","98.703","0.005","95.739","0.005","1205.25","0.12","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 N2 O3 Si -","- C27 H28 N2 O3 Si -","- C54 H56 N4 O6 Si2 -","2","1","","Zhu, Lei; Luo, Na; Chen, Jinyang; Zhang, Mingzhong; Zhao, Jingzhe; Miao, Shaobin","Crystal structure of 3-[(triisopropylsilanyl)-ethynyl]-6a,12a-dihydro-1H-1,4-diaza-benzo[α]anthracene-2,7,12-trione, C27H28N2O3Si","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1129","1131","10.1515/ncrs-2020-0200","","","0.71073","MoKα","","0.0946","0.0586","","","0.1334","0.161","","","","","","1.031","","","","has coordinates","275993","2022-06-13","08:54:46",""
"8105399","11.5851","0.0008","11.5875","0.0007","13.3921","0.0008","81.44","0.005","77.913","0.006","76.014","0.006","1696.65","0.19","289.07","0.1","289.07","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 N4 Ni O9 -","- C40 H24 N4 Ni O9 -","- C80 H48 N8 Ni2 O18 -","2","1","","Yao, Li-Ping","Crystal structure of [(bis(1,10-phenanthroline-κ2 N,N′)-(2-carboxy-4-(3-carboxy-5-carboxylatophenoxy)benzoato-κ2O:O′))nickel(II) monohydrate, (1,10-phenanthroline-κ2 N:N′)-(μ2-(5-(3′,4′-dicarboxylphenoxy)-isophthalate-κ2O:O′))nickel(II)], C40H24N4O9Ni ⋅ H2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1133","1134","10.1515/ncrs-2020-0201","","x-ray","0.71073","MoKα","","0.0676","0.0516","","","0.1103","0.1203","","","","","","1.026","","","","has coordinates","275994","2022-06-13","09:00:35",""
"8105400","9.6481","0.0006","10.0123","0.0006","10.1667","0.0006","116.68","0.002","113.268","0.002","95.809","0.002","758.31","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N3 O5 -","- C16 H16 N3 O5 -","- C32 H32 N6 O10 -","2","1","","Wu, Chong; Wu, Shou-Ting; Zhang, Qi-Long; Zou, Juan","Crystal structure of 4-(3-(pyridin-3-yl)ureido)benzoic acid — adipic acid (2/1), C16H16N3O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1135","1136","10.1515/ncrs-2020-0203","","","0.71073","MoKα","","0.0547","0.0426","","","0.1101","0.1212","","","","","","1.052","","","","has coordinates","275995","2022-06-13","09:03:29",""
"8105401","9.8766","0.0006","11.5473","0.0008","14.2194","0.0009","84.534","0.005","85.582","0.005","79.413","0.005","1583.9","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 Co N2 O8 -","- C40 H30 Co N2 O8 -","- C80 H60 Co2 N4 O16 -","2","1","","Hu, Shao-Qiang; Li, Shi-Hui","Crystal structure of poly[bis{μ2-5-carboxy-4′-methyl-[1,1′-biphenyl]-3-carboxylato-κ2 O:O′}-{μ2-4,4′-bipyridine-κ2N:N′}]cobalt(II), C40H30N2O8Co","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1137","1139","10.1515/ncrs-2020-0205","","x-ray","0.71073","MoKα","","0.1202","0.065","","","0.0927","0.1109","","","","","","1.067","","","","has coordinates","275996","2022-06-13","09:06:41",""
"8105402","16.4177","0.0005","17.9018","0.0005","7.458","0.0002","90","","90.49","0.003","90","","2191.87","0.11","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cu N4 O9 S -","- C18 H20 Cu N4 O9 S -","- C72 H80 Cu4 N16 O36 S4 -","4","1","","Chen, Xiao-Miao; Liu, Zheng-Jun; Zhao, Rong-Fei; Cheng, Jing-Song; Qin, Lan; Long, Zhang-Di","Crystal structure of aqua-(2,2′-bipyridine-κ2 N,N′)(((3-nitrophenyl)sulfonyl)glycine-κ2 N,O)copper(II) dihydrate, C18H20CuN4O9S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1141","1143","10.1515/ncrs-2020-0206","","","0.71073","MoKα","","0.077","0.0451","","","0.0806","0.0956","","","","","","1.039","","","","has coordinates","275997","2022-06-13","09:09:51",""
"8105403","8.6466","0.0002","13.4901","0.0004","14.5322","0.0004","115.997","0.001","90.645","0.001","100.083","0.001","1492.61","0.07","173","2","173","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Br2 Cu N4 O4 -","- C32 H28 Br2 Cu N4 O4 -","- C64 H56 Br4 Cu2 N8 O8 -","2","1","","Song, Xiao-San","Crystal structure of bis{2-bromo-6-(((4-(1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2 N,O}copper(II), C32H28Br2CuN4O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1145","1147","10.1515/ncrs-2020-0208","","","0.71073","MoKα","","0.0359","0.0282","","","0.0621","0.066","","","","","","1.04","","","","has coordinates,has disorder","275998","2022-06-13","09:19:25",""
"8105404","26.573","0.004","12.898","0.002","11.4503","0.0017","90","","110.837","0.012","90","","3667.8","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 Cl4 N4 O4 Zn -","- C40 H28 Cl4 N4 O4 Zn -","- C160 H112 Cl16 N16 O16 Zn4 -","4","0.5","","Li, Shi-Hui; Zhao, Yan","Crystal structure of bis(2-(2-((2,6-dichlorophenyl)amino)phenyl)acetato-κ2 O,O′)-(1,10-phenanthroline-κ2 N,N′)zinc(II), C40H28Cl4N4O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1149","1150","10.1515/ncrs-2020-0212","","x-ray","0.71073","MoKα","","0.1229","0.0631","","","0.0883","0.11","","","","","","1.061","","","","has coordinates","275999","2022-06-13","09:22:19",""
"8105405","9.6719","0.0019","13.529","0.003","11.094","0.002","90","","112.31","0.03","90","","1343","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C56 H68 N4 O16 -","4","1","","Hoang, Minh-Tu; Guo, Ke-Liang; Ye, Fei","Crystal structure of 2-(3,6-dimethyl-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)-2-oxoethyl acetate, C14H17NO4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1151","1153","10.1515/ncrs-2020-0215","","","0.71073","MoKα","","0.0613","0.048","","","0.1327","0.1422","","","","","","1.039","","","","has coordinates","276000","2022-06-13","09:38:34",""
"8105406","9.6915","0.0004","7.6614","0.0002","19.0851","0.0008","90","","100.529","0.004","90","","1393.22","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Br2 Cd N8 -","- C24 H36 Br2 Cd N8 -","- C48 H72 Br4 Cd2 N16 -","2","0.5","","Guo, Jin-Bo; Li, Guan-Feng","Crystal structure of poly[dibromido-bis(μ2-1,6-di(1H-imidazol-1-yl)hexane-κ2 N:N′)cadmium(II)], C24H36Br2N8Cd","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1155","1156","10.1515/ncrs-2020-0217","","x-ray","0.71073","MoKα","","0.0801","0.0744","","","0.1789","0.1823","","","","","","1.191","","","","has coordinates","276001","2022-06-13","09:43:27",""
"8105407","10.1773","0.0012","12.9096","0.0015","15.195","0.0018","97.579","0.001","97.967","0.001","109.835","0.001","1825.2","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 N8 O3 S2 -","- C38 H38 N8 O3 S2 -","- C76 H76 N16 O6 S4 -","2","1","","Ding, Qichun; Yang, Ruya; Yao, Peipao","Synthesis and crystal structure of ((6R,7S)-3-ethyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl)(phenyl)methanone hemihydrate, 2(C19H18N4OS) ⋅ H2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1157","1159","10.1515/ncrs-2020-0219","","","0.71073","MoKα","","0.0758","0.0523","","","0.126","0.1412","","","","","","1.023","","","","has coordinates,has disorder","276018","2022-06-14","08:55:39",""
"8105408","5.8617","0.0014","15.845","0.004","15.326","0.004","90","","92.65","0.005","90","","1421.9","0.6","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 N6 -","- C17 H12 N6 -","- C68 H48 N24 -","4","1","","Sun, Hongtao; Wu, Hao; Zhang, Lili","Crystal structure of 2-(5-(pyridin-3-yl)-4-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)pyridine, C17H12N6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1161","1162","10.1515/ncrs-2020-0223","","","0.71073","MoKα","","0.0799","0.0449","","","0.0979","0.1132","","","","","","1.016","","","","has coordinates","276019","2022-06-14","08:59:25",""
"8105409","13.8754","0.0008","7.7354","0.0005","18.4616","0.0011","90","","90","","90","","1981.5","0.2","300","2","300","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H19 F2 N O2 S -","- C23 H19 F2 N O2 S -","- C92 H76 F8 N4 O8 S4 -","4","1","","Lang, Tianqiong; Ye, Jianghai; Zou, Taishuang; Tian, Xiaolong; Zhao, Nengwu","The crystal structure of N-((1E,2E)-1,3-bis(4-fluorophenyl)but-2-en-1-ylidene)-4-methylbenzenesulfonamide, C23H19F2NO2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1163","1165","10.1515/ncrs-2020-0225","","","0.71076","MoKα","","0.0608","0.0449","","","0.0973","0.1066","","","","","","1.066","","","","has coordinates","276020","2022-06-14","09:06:27",""
"8105410","7.7547","0.0016","7.8666","0.0016","8.2798","0.0017","90.46","0.03","96.24","0.03","93.25","0.03","501.24","0.18","310","","310","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 N4 Ni O4 -","- C18 H26 N4 Ni O4 -","- C18 H26 N4 Ni O4 -","1","0.5","","Yuan, Ge; Dengwu, Wang; Xiaoping, Huo; Liguo, Yang; Cuihong, Zhang","Crystal structure of diacetato-κ1O-diethanol-κ1O-bis(μ2-2-(((2-hydroxyethyl)imino)methyl)-5-methoxyphenolato-κ4 O,N,O′:O′′)dinickel(II), C28H42Ni2N2O12","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1167","1168","10.1515/ncrs-2020-0230","","","0.71073","MoKα","","0.0301","0.0294","","","0.0867","0.0873","","","","","","1.0643","","","","has coordinates","276021","2022-06-14","09:09:53",""
"8105411","23.33","0.005","7.1347","0.0014","10.328","0.002","90","","108.33","0.03","90","","1631.9","0.6","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cl Cu N2 O2 -","- C18 H16 Cl Cu N2 O2 -","- C72 H64 Cl4 Cu4 N8 O8 -","4","0.5","","Hu, Xu-Ze; Li, Guan-Feng; Li, Shi-Hui","The crystal structure of catena-poly[chlorido-(μ2-1,4-bis(pyridin-3-yl-methoxy)benzene-κ2 N:N′)copper(II)], C18H16ClN2O2Cu","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1169","1170","10.1515/ncrs-2020-0231","","","0.71073","MoKα","","0.0328","0.0275","","","0.0726","0.0763","","","","","","1.036","","","","has coordinates","276022","2022-06-14","09:13:25",""
"8105412","10.587","0.0002","10.6944","0.0002","13.683","0.0003","100.7","0.001","110.09","0.001","104.735","0.001","1342.02","0.05","298","2","298","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N4 Ni O6 -","- C30 H24 N4 Ni O6 -","- C60 H48 N8 Ni2 O12 -","2","1","","Qiao, Hong-Tao; Zhao, San-Hu; Xi, Fu-Gui","N′,N′′′-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(methaneylylidene))bis(2-hydroxybenzohydrazide)nickel(II), C30H24N4NiO6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1171","1173","10.1515/ncrs-2020-0232","","","0.71073","MoKα","","0.0619","0.0388","","","0.0822","0.0925","","","","","","1.031","","","","has coordinates","276023","2022-06-14","09:22:30",""
"8105413","13.3575","0.0002","16.6645","0.0003","13.7678","0.0002","90","","96.489","0.0014","90","","3045.02","0.08","116.2","0.4","116.2","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H37 N5 O2 -","- C38 H37 N5 O2 -","- C152 H148 N20 O8 -","4","1","","Chu, Yi-Xin; Li, Kai-Hao; Yang, Han-Huan; Yuan, Juan","Crystal structure of (E)-3′,6′-bis(ethylamino)-2′,7′-dimethyl-2-(2-((quinolin-2-ylmethylene)amino)ethyl)spiro[isoindoline-1,9′-xanthen]-3-one, C38H37N5O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1175","1177","10.1515/ncrs-2020-0233","","x-ray","1.54184","CuKα","","0.044","0.0386","","","0.0976","0.1028","","","","","","1.03","","","","has coordinates","276024","2022-06-14","09:25:13",""
"8105414","9.6002","0.0005","10.4192","0.0005","11.0226","0.0005","93.412","0.004","98.094","0.004","98.787","0.004","1075.05","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N2 O8 -","- C25 H17 N2 O8 -","- C50 H34 N4 O16 -","2","1","","Chen, Shi-Jun; Tian, Wei; Hui, Yan-Ni; Zhu, Mei","Crystal structure of 4,4′-di(1H-imidazol-1-yl)-1,1′-biphenyl-1-ium 5,3′,5′-tricarboxy-[1,10-biphenyl]-2-carboxylate, C25H17N2O8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1179","1181","10.1515/ncrs-2020-0237","","x-ray","0.71073","MoKα","","0.067","0.0547","","","0.1348","0.1426","","","","","","1.059","","","","has coordinates","276025","2022-06-14","09:28:05",""
"8105415","6.8614","0.0008","6.8614","0.0008","29.82","0.005","90","","90","","90","","1403.9","0.3","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C14 H19 Cl N2 O2 -","- C14 H19 Cl N2 O2 -","- C56 H76 Cl4 N8 O8 -","4","1","","García-Beltrán, Olimpo; Areche, Carlos; Galdámez, Antonio; Moris, Silvana","The crystal structure of 1-carboxy-2-(1H-indol-3-yl)-N,N,N-trimethylethan-1-ammonium chloride, C14H19N2O2Cl","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1183","1185","10.1515/ncrs-2020-0240","","","0.71073","MoKα","","0.0368","0.0311","","","0.0539","0.0549","","","","","","1.058","","","","has coordinates","276026","2022-06-14","09:30:55",""
"8105416","3.9894","0.0004","13.6128","0.0011","14.7495","0.0012","90","","90","","90","","801","0.12","150.03","","150.03","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H5 Br F N O3 -","- C6 H5 Br F N O3 -","- C24 H20 Br4 F4 N4 O12 -","4","1","","Cai, Bin; Meng, Yu-Ning; Zhu, Meng-En; Yao, Xi-Shuang; Chen, Gang","The crystal structure of 5-bromo-2-fluoronicotinic acid monohydrate, C6H5BrFNO3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1187","1188","10.1515/ncrs-2020-0241","","","0.71073","MoKα","","0.0248","0.0213","","","0.0459","0.0465","","","","","","1.05","","","","has coordinates","276027","2022-06-14","09:33:50",""
"8105417","6.8088","0.0008","6.7699","0.0009","9.9351","0.0012","90","","105.416","0.003","90","","441.48","0.09","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H7 F3 N2 O2 -","- C7 H7 F3 N2 O2 -","- C14 H14 F6 N4 O4 -","2","0.5","","Jaćimović, Željko. K.; Novaković, Sladjana B.; Bogdanović, Goran A.; Kosović, Milica; Libowitzky, Eugen; Giester, Gerald","Crystal structure of ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate, C7H7F3N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1189","1190","10.1515/ncrs-2020-0242","","","0.71073","MoKα","","0.0499","0.0398","","","0.1115","0.1192","","","","","","1.095","","","","has coordinates","276037","2022-06-15","06:43:18",""
"8105418","10.9867","0.0002","15.4753","0.0003","15.5666","0.0003","85.583","0.002","81.294","0.002","84.844","0.002","2600.18","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 Mo5 N8 O23 P2 -","- C40 H42 Mo5 N8 O23 P2 -","- C80 H84 Mo10 N16 O46 P4 -","2","1","","Ma, Feng-Xia; Jiang, Jin-Ke; Yuan, Yuan; Li, Dong-Dong","Crystal structure of tetrakis(1H-benzo[d]imidazol-3-ium) bis(μ5-phenylphosphonato)-pentakis(μ2-oxido)-decaoxo-penta-molybdenum dihydrate, C40H42Mo5N8O23P2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1191","1193","10.1515/ncrs-2020-0245","","x-ray","0.71073","MoKα","","0.0271","0.0208","","","0.0457","0.0485","","","","","","1.056","","","","has coordinates","276038","2022-06-15","06:48:00",""
"8105419","10.5279","0.0011","21.242","0.002","10.7096","0.0011","90","","119.185","0.001","90","","2091","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 F6 N S -","- C24 H15 F6 N S -","- C96 H60 F24 N4 S4 -","4","1","","Kou, Jianlan","Structure of 7-(3,3,4,4,5,5-hexafluoro-2-(2-methylbenzo[b]thiophen-3-yl)cyclopent-1-en-1-yl)-8-methylquinoline, C24H15F6NS","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1195","1197","10.1515/ncrs-2020-0246","","","0.71073","MoKα","","0.0611","0.0488","","","0.1358","0.1441","","","","","","1.034","","","","has coordinates","276039","2022-06-15","06:52:00",""
"8105420","26.784","0.01","8.837","0.003","12.759","0.004","90","","90","","90","","3019.9","1.8","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C128 H196 N4 O8 P4 Rh4 -","- C128 H196 N4 O8 P4 Rh4 -","- C128 H196 N4 O8 P4 Rh4 -","1","0.25","","Mokolokolo, Pennie P.; Alexander, Orbett T.; Schutte-Smith, Marietjie; Brink, Alice; Roodt, Andreas","Crystal structure of monocarbonyl[2-((cyclopentylmethylene)amino)-5-methylphenolato-κ2N,O] (tricyclohexylphosphine)rhodium(I), C32H48NO2PRh","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1199","1201","10.1515/ncrs-2020-0248","","","0.71073","MoKα","","0.0432","0.04","","","0.0906","0.092","","","","","","1.165","","","","has coordinates","276040","2022-06-15","06:55:27",""
"8105421","8.3476","0.0015","9.5742","0.0017","12.435","0.002","87.606","0.005","74.502","0.005","88.028","0.005","956.6","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 N5 O6 Re -","- C18 H12 N5 O6 Re -","- C36 H24 N10 O12 Re2 -","2","1","","Ramoba, Lesetja V.; Alexander, Orbett T.; Visser, Hendrik G.; Manicum, Amanda-Lee E.","The crystal structure of fac-tricarbonyl(1,10-phenanthroline-κ2 N,N′)-(pyrazole-κN)rhenium(I)nitrate, C18H12O3N4Re","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1203","1205","10.1515/ncrs-2020-0249","","","0.71073","MoKα","","0.0235","0.0213","","","0.0513","0.0523","","","","","","1.096","","","","has coordinates,has disorder","276041","2022-06-15","07:12:14",""
"8105422","27.01","0.0011","7.4753","0.0005","15.4781","0.0006","90","","118.821","0.003","90","","2738","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N8 Ni O6 -","- C28 H22 N8 Ni O6 -","- C112 H88 N32 Ni4 O24 -","4","0.5","","Xu, Xue-Li; Li, Shi-Hui; Guo, Jin-Bo","Crystal structure of poly[diaqua-bis(μ2-4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoato-κ2 N:O)nickel(II)], C28H22O6N8Ni","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1207","1208","10.1515/ncrs-2020-0250","","","0.71073","MoKα","","0.0453","0.0404","","","0.1097","0.113","","","","","","1.018","","","","has coordinates","276042","2022-06-15","07:16:28",""
"8105423","9.9281","0.0004","19.1304","0.0008","22.0724","0.001","66.036","0.004","87.374","0.004","85.61","0.003","3819.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H68 Co2 N3 O16 -","- C93 H68 Co2 N3 O16 -","- C186 H136 Co4 N6 O32 -","2","1","","Tang, Qian-Qian; Li, Shi-Hui; Cheng, Zhan-Quan","Crystal structure of 4,4′-bis(pyridin-1-ium-4-yl)biphenyl poly[bis(μ2-4,4′-bis(pyrid-4-yl)biphenyl-K2 N:N′)-tetrakis(μ4-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-K4 O,O′:O′′:O′′′)-bis[[μ2-1,1′-biphenyl]-3-carboxyl-5-carboxylato-K2 O:O′]tetracobalt(II)]— [1,1′-biphenyl]-3,5-dicarboxylic acid (1/2), C93H68N3O16Co2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1209","1212","10.1515/ncrs-2020-0255","","x-ray","0.71073","MoKα","","0.0852","0.058","","","0.1161","0.1276","","","","","","1.146","","","","has coordinates","276043","2022-06-15","07:21:21",""
"8105424","8.042","0.0005","11.7999","0.0006","30.1609","0.0017","90","","90","","90","","2862.1","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 O3 -","- C32 H50 O3 -","- C128 H200 O12 -","4","1","","Latolla, Nehemiah; Hosten, Eric C.; Hlangothi, Buyiswa G.","The crystal structure of 4a-formyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-1-2-6a,6b,9,9,12a-heptamethylpicen-10-yl acetate, C32H50O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1213","1215","10.1515/ncrs-2020-0259","","","0.71073","MoKα","","0.1027","0.0712","","","0.1817","0.2046","","","","","","1.075","","","","has coordinates","276044","2022-06-15","07:25:27",""
"8105425","7.3086","0.0015","12.174","0.003","26.355","0.006","90","","94.5","0.002","90","","2337.7","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3'-(1,2-phenylenebis(methylene))bis(1-methyl- 1H-imidazol-3-ium) bis(hexafluoro phosphate)(V)","","- C16 H20 F12 N4 P2 -","- C16 H20 F12 N4 P2 -","- C64 H80 F48 N16 P8 -","4","1","","Yao-Hong, Zhou; Ting, Huang; Xu-Liang, Nie; Jing, Chen; Wan-Ming, Xiong","Crystal structure of 3,3′-(1,2-phenylenebis(methylene))bis(1-methyl-1H-imidazol-3-ium) bis(hexafluoridophosphate), C16H20F12N4P2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1217","1219","10.1515/ncrs-2020-0268","","","0.71073","MoKα","","0.0915","0.0742","","","0.2081","0.2262","","","","","","1.086","","","","has coordinates","276045","2022-06-15","07:29:03",""
"8105426","5.8031","0.0002","13.0103","0.0004","10.2425","0.0003","90","","98.954","0.003","90","","763.89","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 O8 Zn -","- C4 H8 O8 Zn -","- C16 H32 O32 Zn4 -","4","1","","Li, Mao-Chun; Zhang, Ji-Ren; Yuan, Shuang-Xing; Zhang, Dong","Crystal structure of catena-poly[diaqua-(μ2-tartrato-κ4 O,O′:O′′,O′′′)zinc(II)], C4H8O8Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1221","1222","10.1515/ncrs-2020-0269","","","0.71073","MoKα","","0.0422","0.033","","","0.0746","0.0784","","","","","","1.082","","","","has coordinates","276046","2022-06-15","07:35:32",""
"8105427","11.0421","0.0003","6.4971","0.00016","20.4687","0.0004","90","","97.922","0.002","90","","1454.44","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H48 O5 -","- C31 H48 O5 -","- C62 H96 O10 -","2","1","","Mou, Xiao-Dong; Wang, Hui-Yun; Sun, Ke-Wei; Luan, Ming-Zhu; Meng, Qing-Guo","The crystal structure of (6aR,6bS,8aS,8bR,9S,11aS,12aS,12bS)-10-(4-acetoxy-3-methylbutyl)-6a,8a,9-trimethyl-3,4,5,6,6a,6b,7,8,8a,8b,9,10,11a,12,12a,12b-hexadecahydro-1H-naphtho[2′,1′:4,5]indeno[2,1-b]furan-4-yl acetate, C31H48O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1223","1225","10.1515/ncrs-2020-0275","","x-ray","1.54184","CuKα","","0.0471","0.0382","","","0.094","0.1024","","","","","","1.038","","","","has coordinates","276047","2022-06-15","07:38:12",""
"8105428","29.7356","0.0003","5.88712","0.00004","11.10915","0.00009","90","","99.17","0.0008","90","","1919.88","0.03","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H12 Br2 O -","- C14 H12 Br2 O -","- C84 H72 Br12 O6 -","6","1.5","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of 4,4′-(oxybis(methylene))bis(bromobenzene), C14H12Br2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1227","1229","10.1515/ncrs-2020-0280","","","1.54184","CuKα","","0.0167","0.0166","","","0.0442","0.0443","","","","","","1.007","","","","has coordinates","276067","2022-06-16","09:18:50",""
"8105429","7.9719","0.0002","10.3854","0.0002","13.1042","0.0003","81.451","0.002","72.444","0.002","87.93","0.002","1022.85","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Mo N2 O7 S -","- C19 H22 Mo N2 O7 S -","- C38 H44 Mo2 N4 O14 S2 -","2","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of (N,N-dimethylsulphoxide)-[N-(3-ethoxy-2-(oxide)benzylidene)-3-methoxybenzenecarbohydrazonato-κ3 N,O,O′]-dioxo-molybdenum(VI), C19H22MoN2O7S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1231","1233","10.1515/ncrs-2020-0281","","","1.54184","CuKα","","0.0182","0.0181","","","0.0502","0.0503","","","","","","1.017","","","","has coordinates","276068","2022-06-16","09:56:46",""
"8105430","8.243","0.0001","13.7471","0.0001","11.1619","0.0002","90","","110.864","0.002","90","","1181.9","0.03","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 Cl2 O2 S2 Sn -","- C20 H30 Cl2 O2 S2 Sn -","- C40 H60 Cl4 O4 S4 Sn2 -","2","0.5","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of dichlorido-bis(dimethyl sulphoxide-κO)-bis(4-methylbenzyl-κC 1)tin(IV), C20H30Cl2O2S2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1235","1237","10.1515/ncrs-2020-0282","","","1.54184","CuKα","","0.0168","0.0164","","","0.0441","0.0445","","","","","","1.073","","","","has coordinates","276117","2022-06-21","07:37:03",""
"8105431","6.5543","0.0012","11.875","0.002","14.386","0.003","71.803","0.003","81.663","0.003","89.928","0.003","1051.3","0.3","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H28 N4 O4 -","- C21 H28 N4 O4 -","- C42 H56 N8 O8 -","2","1","","Li, Li-Lang; Yu, Chang-Jin; Shi, Qing; Zhang, Qi-Long; Yang, Xian-Jiong","Crystal structure of (E)-2-amino-N′-(2-hydroxy-4-(2-(piperidin-1-yl)ethoxy)benzylidene)benzohydrazide monohydrate, C21H26N4O3 ⋅ H2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1239","1240","10.1515/ncrs-2020-0283","","","0.71073","MoKα","","0.0798","0.0548","","","0.1581","0.1762","","","","","","1.065","","","","has coordinates","276118","2022-06-21","07:44:26",""
"8105432","12.7348","0.0002","14.6361","0.0003","24.158","0.0006","90","","90","","90","","4502.76","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H18 Cl4 O S Sn -","- C20 H18 Cl4 O S Sn -","- C160 H144 Cl32 O8 S8 Sn8 -","8","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of chloridotris(4-chlorophenyl)(dimethyl sulfoxide-κO)tin(IV), C20H18Cl4OSSn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1241","1243","10.1515/ncrs-2020-0291","","","1.54184","CuKα","","0.0366","0.0337","","","0.0888","0.0913","","","","","","1.037","","","","has coordinates,has disorder","276119","2022-06-21","07:54:05",""
"8105433","13.2126","0.0004","5.9418","0.0001","14.6038","0.0003","90","","100.395","0.003","90","","1127.68","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N Na O3 S2 -","- C6 H16 N Na O3 S2 -","- C24 H64 N4 Na4 O12 S8 -","4","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of catena{di-aqua-sodium-[N-(hydroxyethyl), N-isopropyl-dithiocarbamato]}n, [C6H16NNaO2S2]n","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1245","1247","10.1515/ncrs-2020-0292","","","1.54184","CuKα","","0.0323","0.0287","","","0.076","0.0788","","","","","","1.035","","","","has coordinates","276120","2022-06-21","07:57:20",""
"8105434","10.318","0.0001","18.1008","0.0001","20.9015","0.0002","90","","94.536","0.001","90","","3891.42","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cl6 S3 Sn3 -","- C36 H24 Cl6 S3 Sn3 -","- C144 H96 Cl24 S12 Sn12 -","4","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of 2,2,4,4,6,6-hexakis(4-chlorophenyl)-1,3,5,2,4,6-trithiatristanninane, C36H24Cl6S3Sn3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1249","1251","10.1515/ncrs-2020-0293","","","1.54184","CuKα","","0.0189","0.0177","","","0.0442","0.0448","","","","","","1.013","","","","has coordinates","276121","2022-06-21","08:00:14",""
"8105435","7.9074","0.0003","20.4341","0.0007","11.0406","0.0004","90","","90.6004","0.0016","90","","1783.85","0.11","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O6 -","- C20 H18 N2 O6 -","- C80 H72 N8 O24 -","4","1","","Shin, Soon Young; Yoo, Miri; Koh, Dongsoo","Crystal structure of 6-methoxy-3-(5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl)-4H-chromen-4-one-methanol (1/1), C20H18N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1253","1255","10.1515/ncrs-2020-0298","","","0.71073","MoKα","","0.0779","0.0467","","","0.11","0.126","","","","","","1.028","","","","has coordinates","276122","2022-06-21","08:03:47",""
"8105436","12.2878","0.0003","4.8442","0.0001","7.0931","0.0001","90","","97.546","0.002","90","","418.557","0.015","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 N4 O2 -","- C6 H14 N4 O2 -","- C12 H28 N8 O4 -","2","0.5","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of hexanedihydrazide, C6H14N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1257","1258","10.1515/ncrs-2020-0301","","","1.54184","CuKα","","0.0317","0.029","","","0.0805","0.0829","","","","","","1.085","","","","has coordinates","276123","2022-06-21","08:09:59",""
"8105437","11.4784","0.0007","9.018","0.0008","17.9483","0.0017","90","","92.823","0.007","90","","1855.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N2 O5 -","- C18 H24 N2 O5 -","- C72 H96 N8 O20 -","4","1","","Caracelli, Ignez; Zukerman-Schpector, Julio; Garcia, Ariel L. Llanes; Costenaro, Edson R.; Correia, Carlos Roque D.; Tiekink, Edward R.T.","Crystal structure of tert-butyl 2-(hydroxymethyl)-5-{4-[(methoxycarbonyl)amino]phenyl}-2,5-dihydro-1H-pyrrole-1-carboxylate, C18H24N2O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1259","1261","10.1515/ncrs-2020-0305","","","0.71073","MoKα","","0.1658","0.0505","","","0.1237","0.1611","","","","","","0.977","","","","has coordinates","276124","2022-06-21","08:13:59",""
"8105438","8.6339","0.0003","11.0503","0.0003","14.5091","0.0005","95.615","0.002","105.606","0.003","94.009","0.002","1320.14","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H26 Au N2 O3 P S -","- C28 H26 Au N2 O3 P S -","- C56 H52 Au2 N4 O6 P2 S2 -","2","1","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of [(Z)-O-isopropyl N-(4-nitrophenyl)thiocarbamato-κS]-(triphenylphosphine-κP)-gold(I), C28H26AuN2O3PS","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1263","1265","10.1515/ncrs-2020-0306","","","0.71073","MoKα","","0.0376","0.0332","","","0.0848","0.0886","","","","","","1.073","","","","has coordinates","276125","2022-06-21","08:17:09",""
"8105439","10.2034","0.0008","11.5755","0.0009","15.7533","0.0012","69.948","0.002","86.496","0.002","71.37","0.002","1653.8","0.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H38 Au N2 O4 P S -","- C34 H38 Au N2 O4 P S -","- C68 H76 Au2 N4 O8 P2 S2 -","2","1","","Kuan, Fong Sheen; Tiekink, Edward R.T.","Crystal structure of [O-ethyl N-(4-nitrophenyl)thiocarbamato-κS](tri-4-tolylphosphine-κP)gold(I) tetrahydrofuran solvate, C30H30AuN2O3PS, C4H8O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1267","1269","10.1515/ncrs-2020-0318","","","0.71069","MoKα","","0.0435","0.0355","","","0.0823","0.0858","","","","","","0.979","","","","has coordinates","276126","2022-06-21","08:21:04",""
"8105440","10.2722","0.001","10.6897","0.0011","12.5667","0.0013","79.698","0.009","72.168","0.009","63.166","0.01","1170.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 Cd N3 O8 -","- C25 H22 Cd N3 O8 -","- C50 H44 Cd2 N6 O16 -","2","1","","Li, Shi-Hui; Li, Guan-Feng; Zhang, Li","Crystal structure of poly[tetraaqua-bis(μ4-5-(4-carboxy-benzylamino)-isophthalato-κ4 O,O′:O′′:O′′′)-(μ2-4,4′-di(1H-imidazol-1-yl)-1,1′-biphenyl-κ2 N:N′)dicadmium(II)], C25H22N3O8Cd","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1271","1273","10.1515/ncrs-2020-0228","","x-ray","0.71073","MoKα","","0.09","0.0618","","","0.0984","0.1078","","","","","","1.066","","","","has coordinates","276127","2022-06-21","08:47:32",""
"8105441","12.6187","0.0007","9.4445","0.0005","13.7424","0.0008","90","","99.248","0.005","90","","1616.49","0.16","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","","Li-Hua, Wang; Xi-Shi, Tai","The crystal structure of 2-(2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)phenoxy)acetate, C19H18N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1275","1276","10.1515/ncrs-2020-0238","","x-ray","1.54184","CuKα","","0.0874","0.0793","","","0.2193","0.222","","","","","","1.233","","","","has coordinates","276128","2022-06-21","09:13:33",""
"8105442","33.298","0.0015","7.8254","0.0003","13.8939","0.0009","90","","92.506","0.005","90","","3616.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H28 Cl4 N4 O4 Zn -","- C38 H28 Cl4 N4 O4 Zn -","- C152 H112 Cl16 N16 O16 Zn4 -","4","0.5","","Tang, Qian-Qian; Li, Shi-Hui","Crystal structure of poly[aqua-μ2-4,4′-bipyridine-κ2 N:N′)-μ2-bis(2-(2-((2,6-dichlorophenyl)amino)phenyl)acetato-κ2 O,O′)zinc(II)], C38H28Cl4N4O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1277","1278","10.1515/ncrs-2020-0254","","","0.71073","MoKα","","0.0926","0.0702","","","0.1613","0.1774","","","","","","1.037","","","","has coordinates","276129","2022-06-21","09:16:04",""
"8105443","7.1229","0.0008","12.8851","0.0013","15.0472","0.0015","92.354","0.002","103.338","0.002","91.502","0.002","1341.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H29 N3 O3 -","- C33 H29 N3 O3 -","- C66 H58 N6 O6 -","2","1","","Li, Ying Fen; Wei, Xian; Bai, Song; Lv, Meng Lan","Crystal structure of 1-(2-(1H-indol-3-yl)ethyl)-4-benzyl-3-hydroxy-3,6-diphenylpiperazine-2,5-dione, C33H29N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1279","1280","10.1515/ncrs-2020-0257","","","0.71073","MoKα","","0.0466","0.0364","","","0.1009","0.1074","","","","","","0.964","","","","has coordinates","276130","2022-06-21","09:19:14",""
"8105444","13.5114","0.0008","16.5735","0.0007","17.0403","0.0009","90","","107.528","0.006","90","","3638.7","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cl2 N4 O7 Zn -","- C40 H32 Cl2 N4 O7 Zn -","- C160 H128 Cl8 N16 O28 Zn4 -","4","1","","Li-Hua, Wang; Lei, Liang; Xi-Shi, Tai","The crystal structure 2,2′-bipyridine-κ2 N,N′-(2-(3-amino-4-chlorobenzoyl)benzoato-κ1 O)-(2-(3-amino-4-chlorobenzoyl)benzoato-κ2 O,O′)zinc(II) — ethanol (1/1), C40H32Cl2N4O7Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1281","1283","10.1515/ncrs-2020-0261","","x-ray","0.71073","MoKα","","0.0555","0.0398","","","0.0749","0.0831","","","","","","1.041","","","","has coordinates","276131","2022-06-21","09:21:41",""
"8105445","9.6569","0.0008","10.3941","0.0007","24.9421","0.0016","97.162","0.005","90.953","0.006","107.788","0.007","2361.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Cu N4 O9 -","- C60 H40 Cu N4 O9 -","- C120 H80 Cu2 N8 O18 -","2","1","","Li, Shi-Hui; Tang, Qian-Qian","Crystal structure of catena-poly[(μ3-2-carboxy-4-(3-carboxy-5-carboxylatophenoxy)benzoato-κ3O:O′:O′′)-bis(μ2-4,4′-bis(pyrid-4-yl)biphenyl-k1 N)copper(II)], C60H40N4O9Cu","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1285","1287","10.1515/ncrs-2020-0266","","x-ray","0.71073","MoKα","","0.1196","0.0729","","","0.1407","0.1609","","","","","","1.03","","","","has coordinates","276132","2022-06-21","09:24:29",""
"8105446","9.9218","0.0008","14.6941","0.0011","13.5697","0.001","90","","90","","90","","1978.4","0.3","173","2","172.9","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H16 Li5 N O13 -","- C20 H16 Li5 N O13 -","- C80 H64 Li20 N4 O52 -","4","0.5","","Li, Ying; Qin, Yu-Cai; Chen, Bao-Kuan","The crystal structure of dimethylammonium catena-[di(μ-aqua)-bis(μ9-benzene-1,3,5-tricarboxylato)pentalithium], C20H16Li5NO13","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1289","1291","10.1515/ncrs-2020-0270","","","0.71073","MoKα","","0.0863","0.0439","","","0.083","0.096","","","","","","1.003","","","","has coordinates","276145","2022-06-22","08:56:22",""
"8105447","7.3274","0.0004","15.6403","0.0005","11.8035","0.0006","90","","106.966","0.005","90","","1293.84","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N10 Ni O6 -","- C24 H28 N10 Ni O6 -","- C48 H56 N20 Ni2 O12 -","2","0.5","","Xu, Xue-Li; Li, Shi-Hui","Crystal structure of tetraaqua-bis(3,5-di(pyridin-4-yl)-1,2,4-triazol-1-ido-κ1 N)nickel(II) dihydrate, C24H28O6N10Ni","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1293","1294","10.1515/ncrs-2020-0273","","x-ray","0.71073","MoKα","","0.0458","0.0397","","","0.0962","0.1002","","","","","","1.04","","","","has coordinates","276146","2022-06-22","08:59:28",""
"8105448","9.6165","0.0006","16.6705","0.001","15.2726","0.0007","90","","121.63","0.003","90","","2084.7","0.2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 N8 O5 S V -","- C16 H24 N8 O5 S V -","- C64 H96 N32 O20 S4 V4 -","4","1","","Zhang, Gang; Luan, Jian; Wang, Xiao-Jie","The crystal structure of tetrakis(1-methylimidazole-κ1 N)-oxido-(sulfato-κ1 O)vanadium(IV), C16H24N8O5SV","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1295","1296","10.1515/ncrs-2020-0276","","","0.71073","MoKα","","0.0521","0.0417","","","0.1184","0.1443","","","","","","1.179","","","","has coordinates","276147","2022-06-22","09:02:51",""
"8105449","8.5858","0.0002","9.2397","0.0004","13.7831","0.0008","97.11","0.03","103.23","0.03","113.33","0.03","948.8","0.4","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 N O5 -","- C24 H17 N O5 -","- C48 H34 N2 O10 -","2","1","","Fang, Bo; Meng, Jiang Ping; Luo, Yan","Crystal structure of methyl 2-(6,11-dioxo-2,3,6,11-tetrahydro-1H-benzo[f]pyrrolo[2,1-a]isoindole-5-carbonyl)benzoate, C24H17NO5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1297","1299","10.1515/ncrs-2020-0278","","","0.71073","MoKα","","0.0903","0.0545","","","0.1468","0.1669","","","","","","0.981","","","","has coordinates","276148","2022-06-22","09:07:38",""
"8105450","12.107","0.003","7.8431","0.0019","21.794","0.005","90","","98.233","0.005","90","","2048.2","0.9","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H26 N4 O4 -","- C20 H26 N4 O4 -","- C80 H104 N16 O16 -","4","1","","Chen, Xiao-Li; Sun, Le-Tao; Zhang, Qi-Long; Xu, Hong; Yang, Xian-Jiong","Crystal structure of (E)-N′-(2-hydroxy-4-(2-(piperidin-1-yl)ethoxy)benzylidene) nicotinohydrazide monohydrate, C20H24N4O3 ⋅ H2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1301","1302","10.1515/ncrs-2020-0284","","","0.71073","MoKα","","0.0899","0.0458","","","0.1018","0.1208","","","","","","1.029","","","","has coordinates","276149","2022-06-22","09:08:47",""
"8105451","11.3692","0.0007","17.5938","0.001","12.1825","0.0007","90","","108.636","0.001","90","","2309.1","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Co N18 O10 -","- C42 H52 Co N18 O10 -","- C84 H104 Co2 N36 O20 -","2","0.5","","Sun, Yabin; Chen, Yan; Wang, Daguang","Crystal structure of poly[bis(μ3-(1-(3,5-di(1H-imidazol-1-yl)phenyl)-1H-imidazole-κ3N:N′:N′′)cobalt(II)] dinitrate — N,N-dimethylformamide (1/4), C42H52N18O10Co","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1303","1305","10.1515/ncrs-2020-0285","","","0.71073","MoKα","","0.0376","0.0308","","","0.0729","0.0765","","","","","","1.04","","","","has coordinates","276150","2022-06-22","09:12:24",""
"8105452","11.155","0.005","13.889","0.006","14.081","0.006","64.544","0.012","79.558","0.014","87.084","0.014","1936.3","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Co Mo4 N12 O13 -","- C24 H36 Co Mo4 N12 O13 -","- C48 H72 Co2 Mo8 N24 O26 -","2","1","","Zhang, Gang; Luan, Jian; Wang, Xiao-Jie","The crystal structure bis{hexakis(1-methyl-1H-imidazole-κ1N)cobalt(II)} tetrakis(μ3-oxido)-octakis(μ2-oxido)-tetradecaoxido-octamolybdate(VI), C24H36CoMo4N12O13","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1307","1309","10.1515/ncrs-2020-0289","","","0.71073","MoKα","","0.0508","0.0365","","","0.1013","0.1171","","","","","","1.238","","","","has coordinates","276151","2022-06-22","09:15:10",""
"8105453","8.4845","0.0001","9.2814","0.0001","15.5517","0.0002","83.005","0.001","81.918","0.001","74.69","0.001","1164.87","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H48 N4 O10 Sn2 -","- C52 H48 N4 O10 Sn2 -","- C52 H48 N4 O10 Sn2 -","1","0.5","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of di-μ-nicotinato-κ2 N:O; κ2 O:N-bis-[aqua-bis(benzyl)(nicotinato-κ2 O,O′)tin(IV)], C52H48N4O10Sn2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1311","1313","10.1515/ncrs-2020-0294","","","1.54184","CuKα","","0.018","0.0173","","","0.0448","0.0453","","","","","","1.025","","","","has coordinates","276152","2022-06-22","09:18:18",""
"8105454","13.0864","0.0007","25.6216","0.0009","12.2253","0.0007","90","","112.027","0.006","90","","3799.9","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 Cl Mn0.5 N4 O3.5 -","- C20 H15 Cl Mn0.5 N4 O3.5 -","- C160 H120 Cl8 Mn4 N32 O28 -","8","1","","Xu, Qiang; Zhang, Hong Yan; Luo, Xiao fang; Li, Guo qiang","Crystal structure of dichlorido-bis[2-(2-(3-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl)phenoxy)benzoic acidmanganese(II) monohydrate, C40H30N8O7MnCl2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1315","1317","10.1515/ncrs-2020-0295","","","1.54184","CuKα","","0.0586","0.0413","","","0.092","0.1001","","","","","","1.022","","","","has coordinates","276153","2022-06-22","09:21:43",""
"8105455","6.98138","0.00017","37.905","0.0006","7.28644","0.00016","90","","117.789","0.003","90","","1705.83","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H54 O5 -","- C39 H54 O5 -","- C78 H108 O10 -","2","1","","Zhao, Ruo-Lin; Wang, Hui-Yun; Wang, Xiao-Hui; Liu, Li; Meng, Qing-Guo","The crystal structure of benzyl 3β-acetylglycyrrhetate, C39H54O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1319","1321","10.1515/ncrs-2020-0296","","x-ray","1.54184","CuKα","","0.0345","0.0326","","","0.0852","0.0872","","","","","","1.04","","","","has coordinates","276154","2022-06-22","09:29:59",""
"8105456","11.1713","0.0003","17.7718","0.0005","10.9852","0.0003","90","","118.99","0.001","90","","1907.67","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-benzyl-3-(4-methoxystyryl)quinoxalin- 2(1<i>H</i>)-one","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Missioui, Mohcine; Essassi, El Mokhtar; Mague, Joel T.; Ramli, Youssef","Synthesis and crystal structure of (E)-1-benzyl-3-(4-methoxystyryl)quinoxalin-2(1H)-one, C24H20N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1323","1325","10.1515/ncrs-2020-0300","","","1.54178","CuKα","","0.0617","0.0538","","","0.1477","0.1582","","","","","","1.057","","","","has coordinates","276162","2022-06-23","07:04:25",""
"8105457","8.2966","0.0001","11.4971","0.0002","14.3311","0.0002","90.322","0.002","101.783","0.001","95.78","0.001","1330.91","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 Cl4 N2 O S Sn -","- C26 H22 Cl4 N2 O S Sn -","- C52 H44 Cl8 N4 O2 S2 Sn2 -","2","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of trans-dichloridobis(4-chlorophenyl-κC 1)(1,10-phenanthroline-κ2 N,N′)tin(IV) dimethylsulphoxide solvate, C26H22Cl4N2OSSn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1327","1329","10.1515/ncrs-2020-0302","","","1.54184","CuKα","","0.0269","0.0258","","","0.0675","0.0684","","","","","","1.033","","","","has coordinates","276163","2022-06-23","07:09:04",""
"8105458","9.6248","0.0018","10.848","0.002","14.099","0.003","95.822","0.002","105.907","0.002","102.404","0.002","1362.4","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H28 N2 O2 -","- C36 H28 N2 O2 -","- C72 H56 N4 O4 -","2","1","","Li, Xue; Chen, Chao; Zhang, Mei-Hang; Wang, Jin-Min; Feng, Fu-Min","Crystal structure of phenyl(1,3,4a-triphenyl-4a,5,6,10b-tetrahydro-1H-[1,4]oxazino[2,3-c]quinolin-5-yl)methanone, C36H28N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1331","1333","10.1515/ncrs-2020-0303","","","0.71073","MoKα","","0.0812","0.0497","","","0.1115","0.1205","","","","","","1.025","","","","has coordinates","276164","2022-06-23","07:13:54",""
"8105459","5.6034","0.0007","8.7105","0.0011","12.5661","0.0016","92.79","0.007","100.516","0.007","106.105","0.006","576.15","0.13","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C30 H32 O4 -","2","1","","Zhai, Shengxian; Yu, Youzhu; Niu, Yongsheng; Han, Chuchu","Crystal structure of (4aS,5S,6aS,6a1S, 10aS)-4a,5,6a,6a 1,9,10-hexahydro-7H-4,5-methanocyclobuta[4,5]naphtho[8a,1-b]pyran-6(2H)-one, C15H16O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1335","1337","10.1515/ncrs-2020-0304","","","0.71073","MoKα","","0.0516","0.0476","","","0.1305","0.1348","","","","","","1.061","","","","has coordinates","276165","2022-06-23","07:17:50",""
"8105460","9.7445","0.0003","12.4105","0.0004","21.9727","0.0009","90","","100.113","0.001","90","","2615.96","0.16","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Au Cl N O P S -","- C28 H26 Au Cl N O P S -","- C112 H104 Au4 Cl4 N4 O4 P4 S4 -","4","1","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of [(Z)-O-isopropyl N-(4-chlorophenyl)thiocarbamato-κS]-(triphenylphosphine-κP)-gold(I), C28H26AuClNOPS","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1339","1341","10.1515/ncrs-2020-0307","","","0.71073","MoKα","","0.0428","0.0292","","","0.0612","0.0677","","","","","","1.043","","","","has coordinates","276166","2022-06-23","07:20:51",""
"8105461","8.5422","0.0003","13.2143","0.0004","14.0226","0.0004","65.764","0.003","78.311","0.002","80.09","0.003","1406.39","0.08","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C58 H56 Au2 Cl2 Fe N4 O2 P2 S2 -","- C58 H56 Au2 Cl2 Fe N4 O2 P2 S2 -","- C58 H56 Au2 Cl2 Fe N4 O2 P2 S2 -","1","0.5","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of (μ2-1,1′-bis(diphenylphosphino)ferrocene-P,P′)-bis[(Z)-O-isopropyl N-(4-chlorophenyl)thiocarbamato-S]-di-gold(I) acetonitrile di-solvate, C54H50Au2Cl2FeN2O2P2S2⋅2(C2H3N)","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1343","1345","10.1515/ncrs-2020-0308","","","0.71073","MoKα","","0.0241","0.0213","","","0.0461","0.0477","","","","","","1.041","","","","has coordinates","276167","2022-06-23","07:32:53",""
"8105462","5.4371","0.0007","17.567","0.002","11.884","0.0018","90","","101.043","0.009","90","","1114.1","0.3","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O -","- C15 H16 O -","- C60 H64 O4 -","4","1","","Zhai, Shengxian; Chen, Lunjian; Niu, Yongsheng; Han, Chuchu","Crystal structure of (6aR,6a1S,10aS)-2,4a,6a,6a 1,9,10-hexahydro-7H-4,5-methanocyclobuta[4,5]naphtho[8a,1-b]pyran, C15H16O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1347","1348","10.1515/ncrs-2020-0309","","","0.71073","MoKα","","0.0501","0.0422","","","0.1091","0.1155","","","","","","1.053","","","","has coordinates","276168","2022-06-23","07:36:13",""
"8105463","11.6965","0.001","13.8078","0.0011","16.3257","0.0014","90","","90","","90","","2636.6","0.4","296","2","296.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C31 H26 Cl2 O6 -","- C31 H26 Cl2 O6 -","- C124 H104 Cl8 O24 -","4","0.5","","Wu, Chong; Liu, Xiao-Long; An, Rui; Yang, Ye","Crystal structure of 5,17-diformyl-25,26,27,28-tetrahydroxycalix[4]arene- dichloromethane, C31H26Cl2O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1349","1350","10.1515/ncrs-2020-0310","","","0.71073","MoKα","","0.1014","0.0765","","","0.1384","0.1487","","","","","","1.193","","","","has coordinates","276169","2022-06-23","07:40:44",""
"8105464","8.8035","0.0002","11.4764","0.0003","21.2293","0.0006","83.55","0.002","82.256","0.002","83.793","0.002","2102.4","0.09","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H42 Au2 F2 N2 O2 P2 S2 -","- C44 H42 Au2 F2 N2 O2 P2 S2 -","- C88 H84 Au4 F4 N4 O4 P4 S4 -","2","1","","Caracelli, Ignez; Zukerman-Schpector, Julio; Garcia, Ariel L. Llanes; Correia, Carlos Roque D.; Tiekink, Edward R.T.","Crystal structure of 2-tert-butyl 1-methyl 5-{4-[(methoxycarbonyl)amino]phenyl}-2,5-dihydro-1H-pyrrole-1,2-dicarboxylate, C19H24N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1351","1354","10.1515/ncrs-2020-0313","","","0.71073","MoKα","","0.0344","0.0268","","","0.0543","0.0577","","","","","","1.038","","","","has coordinates,has disorder","276170","2022-06-23","07:53:05",""
"8105465","7.7509","0.0002","12.784","0.0003","15.8689","0.0004","89.087","0.002","87.065","0.002","84.797","0.002","1563.78","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H20 Au O2 P S -","- C13 H20 Au O2 P S -","- C52 H80 Au4 O8 P4 S4 -","4","2","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of [2-carboxybenzene-1-thiolato-S]-(triethylphosphane-P)-gold(I), C13H20AuO2PS","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1355","1358","10.1515/ncrs-2020-0314","","","1.54178","CuKα","","0.0284","0.0282","","","0.0794","0.0795","","","","","","1.152","","","","has coordinates","276171","2022-06-23","07:56:13",""
"8105466","12.7831","0.0004","4.7197","0.0001","12.1802","0.0004","90","","114.557","0.001","90","","668.39","0.03","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cu O4 -","- C16 H14 Cu O4 -","- C32 H28 Cu2 O8 -","2","0.5","","Wu, Qin","Synthesis and crystal structure of bis(5-methyl-2-aldehyde-phenolato-κ2 O 1,O 2)copper(II), C16H14CuO4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1359","1360","10.1515/ncrs-2020-0315","","","0.71073","MoKα","","0.0243","0.0211","","","0.061","0.0624","","","","","","1.091","","","","has coordinates","276172","2022-06-23","08:03:33",""
"8105467","13.4778","0.0009","14.2036","0.0009","15.2206","0.001","69.637","0.001","72.355","0.001","64.861","0.001","2431.1","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H42 Cd2 N4 O15 P4 Si -","- C44 H42 Cd2 N4 O15 P4 Si -","- C88 H84 Cd4 N8 O30 P8 Si2 -","2","1","","Wang, Baogang; Man, Xiaxia","Crystal structure of poly[triaqua-(di(2,2′-bipyridine-κ2 N,N′)-μ4-silanetetrayltetrakis(benzene-4,1-diyl)tetrakis (hydrogen phosphonato)-κ4 O:O′:O′′:O′′′) dicadmium(II)], C44H42N4O15P4Cd2Si","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1361","1363","10.1515/ncrs-2020-0316","","","0.71073","MoKα","","0.0573","0.0428","","","0.0909","0.0987","","","","","","1.013","","","","has coordinates","276173","2022-06-23","08:06:42",""
"8105468","9.0672","0.0002","11.2091","0.0003","16.6853","0.0004","91.097","0.002","90.363","0.002","110.989","0.002","1582.85","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H50 Ag2 N2 P2 S4 -","- C22 H50 Ag2 N2 P2 S4 -","- C44 H100 Ag4 N4 P4 S8 -","2","1","","Yeo, Chien Ing; Tan, Yi Jiun; Shiomitsu, Aya; Chew, Jactty; Halcovitch, Nathan R.; Tiekink, Edward R.T.","Crystal structure of bis[μ2-(N,N-diethylcarbamodithioato-κS:κS,κS′)]-bis(triethylphosphine-P)-di-silver(I), C22H50Ag2N2P2S4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1365","1368","10.1515/ncrs-2020-0317","","","1.54184","CuKα","","0.0246","0.0241","","","0.0649","0.0653","","","","","","1.094","","","","has coordinates","276174","2022-06-23","08:15:00",""
"8105469","10.2008","0.0003","12.2058","0.0003","13.2466","0.0004","88.155","0.002","87.256","0.002","69.324","0.002","1541.11","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H46 Ag2 N2 P2 S4 -","- C22 H46 Ag2 N2 P2 S4 -","- C44 H92 Ag4 N4 P4 S8 -","2","1","","Tan, Yi Jiun; Yeo, Chien Ing; Halcovitch, Nathan R.; Tiekink, Edward R.T.","Crystal structure of bis[μ2-(pyrrolidine-1-carbodithioato-κS:κS,κS′)]-bis(triethylphosphine-κP)disilver(I), C22H46Ag2N2P2S4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1369","1371","10.1515/ncrs-2020-0319","","","1.54184","CuKα","","0.0256","0.0237","","","0.0606","0.0622","","","","","","1.034","","","","has coordinates,has disorder","276175","2022-06-23","08:19:10",""
"8105470","9.3895","0.0001","13.1597","0.0002","13.1803","0.0002","88.119","0.001","86.601","0.001","70.173","0.001","1529.22","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H46 Ag2 N2 O2 P2 S4 -","- C20 H46 Ag2 N2 O2 P2 S4 -","- C40 H92 Ag4 N4 O4 P4 S8 -","2","1","","Yeo, Chien Ing; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of bis[μ2-(N-(2-hydroxyethyl)-N-methylcarbamodithioato-κS:κS,κS′)]-bis(triethylphosphine-P)-di-silver(I), C20H46Ag2N2O2P2S4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1373","1376","10.1515/ncrs-2020-0320","","","1.54184","CuKα","","0.0172","0.0162","","","0.0401","0.0406","","","","","","1.007","","","","has coordinates","276176","2022-06-23","08:22:57",""
"8105471","22.827","0.005","7.883","0.0016","16.02","0.003","90","","98.95","0.03","90","","2847.6","1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(2<i>E</i>,2'<i>E</i>)-,2,2'-bis[1-(2-pyrazinyl)ethylidene]carbonimidic dihydrazide","","- C13 H15 N9 -","- C13 H15 N9 -","- C104 H120 N72 -","8","1","","Ji, Xiao-Hui; Liu, Ye; Liu, Mei-Ling; Zhao, Juan; Lu, Jiu-Fu","The crystal structure of (2E,2′E)-,2,2′-bis[1-(2-pyrazinyl)ethylidene]carbonimidic dihydrazide, C13H15N9","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1377","1379","10.1515/ncrs-2020-0322","","","0.71073","MoKα","","0.0568","0.0416","","","0.1238","0.1331","","","","","","1.079","","","","has coordinates","276177","2022-06-23","08:33:24",""
"8105472","15.685","0.004","9.317","0.002","18.373","0.004","90","","114.422","0.007","90","","2444.7","1","112","","112","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Br0.5 N2.5 -","- C15 H12 Br0.5 N2.5 -","- C120 H96 Br4 N20 -","8","2","","Alexander, Orbett T.; Roodt, Andreas","The crystal structure of (E)-1-(quinolin-2-ylmethyl)-2-((1-(quinolin-2-ylmethyl)pyridin-2(1H)-ylidene)amino)pyridin-1-ium, C30H25BrN5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1381","1383","10.1515/ncrs-2020-0323","","","0.71073","MoKα","","0.055","0.0377","","","0.0782","0.0849","","","","","","1.017","","","","has coordinates","276178","2022-06-23","08:38:25",""
"8105473","13.655","0.003","8.7038","0.0017","23.26","0.005","90","","102.51","0.03","90","","2698.8","1","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C21 H22 Hg N12 O7 -","- C21 H22 Hg N12 O7 -","- C84 H88 Hg4 N48 O28 -","4","1","","Sun, Shu-Xiang; Lu, Zhi-Min; Zhang, Ke-Qing; Yao, Pei","Crystal structure of catena-poly[(μ2-1-((benzotriazol-1-yl)methyl)-1H-1,3-imdazole-κ2 N:N′)-(1-((benzotriazol-1-yl)methyl)-1H-1,3-imdazole-κ1N)-(methanol-κ1 O)mercury(II)] dinitrate, C21H22N12O7Hg","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1385","1387","10.1515/ncrs-2020-0324","","","0.71073","MoKα","","0.058","0.0446","","","0.081","0.0875","","","","","","1.038","","","","has coordinates","276179","2022-06-23","08:47:33",""
"8105474","10.7095","0.0003","8.1455","0.0002","27.5374","0.0008","90","","90","","90","","2402.2","0.11","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C128 H96 O24 -","8","1","","Olomola, Temitope O.; Maluleka, Marole M.; Mphahlele, Malose J.","Crystal structure of 1-(6-hydroxy-2-phenylbenzofuran-5-yl)ethan-1-one, C16H12O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1389","1391","10.1515/ncrs-2020-0330","","x-ray","0.71073","MoKα","","0.0538","0.0369","","","0.0861","0.0947","","","","","","1.019","","","","has coordinates","276180","2022-06-23","08:53:40",""
"8105475","12.2403","0.0014","12.2403","0.0014","12.2403","0.0014","90","","90","","90","","1833.9","0.4","297","","297","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Al H27 O21 S2 -","- Al H27 O21 S2 -","- Al4 H108 O84 S8 -","4","0.166667","","Liu, Yan; Hao, Min; Gao, Jianfeng; Liu, Jianghui; Cui, Juan","The crystal structure of oxonium hexaquaaluminium disulfate hexahydrate","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1393","1394","10.1515/ncrs-2020-0332","","","0.71073","MoKα","","0.0517","0.0507","","","0.1447","0.1458","","","","","","1.113","","","","has coordinates,has disorder","276181","2022-06-23","09:05:41",""
"8105476","32.8001","0.0004","7.1562","0.0001","26.04","0.0003","90","","94.385","0.001","90","","6094.32","0.13","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H30 K N6 O2 S2 -","- C35 H30 K N6 O2 S2 -","- C280 H240 K8 N48 O16 S16 -","8","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of catena{(μ2-1,10-phenanthroline-κ4 N,N,N′,N′)-(μ2-1,10-phenanthroline-κ3 N,N,N′)potassium(I) {[bis(2-hydroxyethyl)iminiumyl](sulfanidyl)methyl}sulfanide hemi(1,10-phenanthroline)}, {C24H16KN4, 0.5(C12H8N2), C5H10NO2S2}","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1395","1397","10.1515/ncrs-2020-0333","","","1.54184","CuKα","","0.032","0.0315","","","0.0908","0.0911","","","","","","1.074","","","","has coordinates","276182","2022-06-23","09:08:47",""
"8105477","12.7694","0.0001","9.7283","0.0001","21.564","0.0002","90","","97.978","0.001","90","","2652.85","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Cl N S2 Sn -","- C25 H36 Cl N S2 Sn -","- C100 H144 Cl4 N4 S8 Sn4 -","4","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of chlorido-[(N,N-di-isobutyl)dithiocarbamato-κ2 S,S′]-di(4-methylbenzyl-κC)tin(IV), C25H36ClNS2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1399","1401","10.1515/ncrs-2020-0334","","","1.54184","CuKα","","0.0169","0.0167","","","0.0442","0.0444","","","","","","1.023","","","","has coordinates","276183","2022-06-23","09:11:22",""
"8105478","7.4069","0.0007","13.2451","0.0012","32.141","0.003","90","","93.924","0.002","90","","3145.8","0.5","123.15","","123.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 Cl2 F6 N3 P Rh -","- C31 H29 Cl2 F6 N3 P Rh -","- C124 H116 Cl8 F24 N12 P4 Rh4 -","4","1","","Gichumbi, Joel M.; Zamisa, Sizwe J.; Friedrich, Holger B.","Crystal structure of chlorido-(η 5-pentamethylcyclopentadienyl)-(4-chloro-4-pyridyl-2,2′:6′,2′′-terpyridine-κ2N,N′) rhodium(III) hexaflourophosphate, C31H29Cl2F6N3PRh","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1403","1405","10.1515/ncrs-2020-0337","","","0.71073","MoKα","","0.053","0.0386","","","0.089","0.0962","","","","","","1.032","","","","has coordinates,has disorder","276184","2022-06-23","09:16:35",""
"8105479","13.4851","0.0013","12.3808","0.0012","13.2151","0.0013","90","","97.304","0.001","90","","2188.4","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-poly[bis-(3,5-dinitro-1,2,4-triazolato-?^2^<i>N</i>^1^:<i>O</i>^1^)- (μ~2~-1,4-bis(1-imidazolyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3^)copper(II)]","","- C16 H10 Cu N14 O8 -","- C16 H10 Cu N14 O8 -","- C64 H40 Cu4 N56 O32 -","4","0.5","","Yajin, Li; Wuxi, Xie; Kuanguang, Song; Yu, Zhao","The crystal structure of catena-poly[bis-(3,5-dinitro-1,2,4-triazolato-κ2 N:O)-(μ2-1,4-bis(1-imidazolyl)benzene-κ2 N:N′)copper(II)], C16H10CuN14O8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1407","1408","10.1515/ncrs-2020-0338","","","0.71073","MoKα","","0.036","0.031","","","0.1063","0.1127","","","","","","0.928","","","","has coordinates","276185","2022-06-23","09:20:06",""
"8105480","10.789","0.004","48.885","0.018","15.205","0.004","90","","124.604","0.019","90","","6601","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H54 Co3 N6 O20 -","- C78 H54 Co3 N6 O20 -","- C312 H216 Co12 N24 O80 -","4","1","","Li, Pei-xuan; Hui, Wei","Crystal structure of poly[triaqua-bis(μ3-3,3′-((5-carboxylato-1,3-phenylene)bis(oxy))dibenzoato)-tris(1,10-phenanthroline)cobalt(II)], C78H46N6O20Co3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1409","1411","10.1515/ncrs-2020-0339","","","0.71073","MoKα","","0.0801","0.0539","","","0.1123","0.1205","","","","","","1.03","","","","has coordinates","276186","2022-06-23","09:22:53",""
"8105481","7.4217","0.0018","7.7021","0.0018","15.362","0.004","79.223","0.002","82.086","0.003","65.182","0.002","781.2","0.3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N2 O6 -","- C15 H18 N2 O6 -","- C30 H36 N4 O12 -","2","1","","Dai, Bencai; Zhou, Yang; Chen, Jin; Liu, Changchun; Shen, Zhihao; Tang, Junming","The crystal structure of 2,4-dihydroxybenzoic acid–nicotinamide–methanol (1/1/1), C15H18N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1413","1415","10.1515/ncrs-2020-0341","","","0.71073","MoKα","","0.0573","0.0444","","","0.1224","0.1341","","","","","","1.06","","","","has coordinates,has disorder","276187","2022-06-23","09:26:02",""
"8105482","12.096","0.002","12.916","0.0002","16.5904","0.0007","101.163","0.002","110.634","0.002","100.698","0.002","2287","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H54 N10 O7 Pb -","- C44 H54 N10 O7 Pb -","- C88 H108 N20 O14 Pb2 -","2","1","","Li, Ji; Miao, Ming-Zhi","The crystal structure of aqua{N,N,N′,N′-tetrakis[(1H-benzimidazol-κN 3) methyl]cyclohexane-1,2-diamine}lead(II) diacetate–methanol (1/2), C44H54N10O7Pb","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1417","1420","10.1515/ncrs-2020-0343","","","0.71073","MoKα","","0.0691","0.0604","","","0.1352","0.1409","","","","","","1.091","","","","has coordinates","276188","2022-06-23","09:30:21",""
"8105483","5.0083","0.0002","9.7548","0.0003","31.964","0.001","90","","92.576","0.002","90","","1560.02","0.09","373","2","373","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Br Cl I N O2 -","- C15 H10 Br Cl I N O2 -","- C60 H40 Br4 Cl4 I4 N4 O8 -","4","1","","Maluleka, Marole M.; Mphahlele, Malose J.","Crystal structure of (2-amino-5-bromo-3-iodophenyl)(3-(4-chlorophenyl)oxiran-2-yl)methanone, C15H10BrClINO2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1421","1423","10.1515/ncrs-2020-0346","","x-ray","0.71073","MoKα","","0.0498","0.0416","","","0.1013","0.1059","","","","","","1.074","","","","has coordinates,has disorder","276189","2022-06-23","09:33:36",""
"8105484","10.713","0.002","15.689","0.003","24.485","0.005","90","","90","","90","","4115.3","1.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-octyl-5,5-diphenylimidazolidine-2,4-dione","","- C23 H28 N2 O2 -","- C23 H28 N2 O2 -","- C184 H224 N16 O16 -","8","1","","Guerrab, Walid; Mague, Joel T.; Ramli, Youssef","Synthesis and crystal structure of 3-octyl-5,5-diphenylimidazolidine-2,4-dione, C23H28N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1425","1427","10.1515/ncrs-2020-0347","","","0.71073","MoKα","","0.0819","0.0581","","","0.1584","0.1734","","","","","","1.079","","","","has coordinates,has disorder","276190","2022-06-23","09:36:17",""
"8105485","5.034","0.0002","21.1023","0.0009","9.288","0.0004","90","","94.909","0.001","90","","983.04","0.07","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-azido-N-(4-nitrophenyl)acetamide","","- C8 H7 N5 O3 -","- C8 H7 N5 O3 -","- C32 H28 N20 O12 -","4","1","","Missioui, Mohcine; Guerrab, Walid; Mague, Joel T.; Ramli, Youssef","Synthesis and crystal structure of 2-azido-N-(4-nitrophenyl)acetamide, C8H7N5O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1429","1430","10.1515/ncrs-2020-0348","","","0.71073","MoKα","","0.0601","0.047","","","0.14","0.1496","","","","","","1.085","","","","has coordinates","276191","2022-06-23","09:39:02",""
"8105486","6.0479","0.0009","9.7032","0.001","14.711","0.002","90","","94.174","0.009","90","","861","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O5 -","- C17 H23 N O5 -","- C34 H46 N2 O10 -","2","1","","Caracelli, Ignez; Zukerman-Schpector, Julio; Garcia, Ariel L. Llanes; Correia, Carlos Roque D.; Tiekink, Edward R.T.","Crystal structure of tert-butyl (1S,2R,5R)-2-(hydroxymethyl)-4-(4-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate, C17H23NO5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1431","1433","10.1515/ncrs-2020-0349","","","0.71073","MoKα","","0.1245","0.044","","","0.1141","0.1436","","","","","","0.893","","","","has coordinates","276192","2022-06-23","09:42:23",""
"8105487","4.8835","0.0004","9.2111","0.0007","14.6655","0.0007","76.135","0.005","82.693","0.006","87.379","0.007","635.19","0.08","293","1","293","1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N2 O6 -","- C12 H14 N2 O6 -","- C24 H28 N4 O12 -","2","1","","Hanifa, Bibi; Sirajuddin, Muhammad; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of 4-[(4-methoxy-2-nitrophenyl)carbamoyl]butanoic acid, C12H14N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1435","1437","10.1515/ncrs-2020-0350","","","1.54184","CuKα","","0.0507","0.0449","","","0.1229","0.1297","","","","","","1.043","","","","has coordinates","276218","2022-06-24","06:52:48",""
"8105488","11.9612","0.0005","8.1215","0.0003","27.5865","0.0012","90","","90","","90","","2679.83","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H15 N3 S -","- C12 H15 N3 S -","- C96 H120 N24 S8 -","8","1","","Tan, Ming Yueh; Ho, Sheng Zhou; Tan, Kong Wai; Tiekink, Edward R.T.","Crystal structure of 3-ethyl-1-[(E)-[(2E)-3-phenylprop-2-en-1-ylidene]amino]thiourea, C12H15N3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1439","1441","10.1515/ncrs-2020-0351","","","1.54184","CuKα","","0.063","0.052","","","0.1395","0.1514","","","","","","1.037","","","","has coordinates","276219","2022-06-24","06:58:33",""
"8105489","12.619","0.002","8.4948","0.0012","13.954","0.002","90","","90.588","0.003","90","","1495.7","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O9 P3 Zn -","- C11 H11 N O9 P3 Zn -","- C44 H44 N4 O36 P12 Zn4 -","4","1","","Sun, Yabin; Chen, Yan; Wang, Daguang","Crystal structure of 4,4′-bipyridin-1,1′-dium poly[bis(μ4-benzene-1,3,5-triyltris(hydrogen phosphonato-κ4 O:O′:O′′:O′′′))zinc(II)], C11H11NO9P3Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1443","1444","10.1515/ncrs-2020-0352","","","0.71073","MoKα","","0.0609","0.0413","","","0.0873","0.0965","","","","","","1.036","","","","has coordinates","276220","2022-06-24","07:02:54",""
"8105490","8.8035","0.0002","11.4764","0.0003","21.2293","0.0006","83.55","0.002","82.256","0.002","83.793","0.002","2102.4","0.09","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H42 Au2 F2 N2 O2 P2 S2 -","- C44 H42 Au2 F2 N2 O2 P2 S2 -","- C88 H84 Au4 F4 N4 O4 P4 S4 -","2","1","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of (μ2-1,1′-bis(diphenylphosphino)butane-κ2 P,P′)-bis[(Z)-N-(3-fluorophenyl)-O-methylthiocarbamato-κS]-di-gold(I), C44H42Au2F2N2O2P2S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1445","1448","10.1515/ncrs-2020-0353","","","0.71073","MoKα","","0.0344","0.0268","","","0.0543","0.0577","","","","","","1.038","","","","has coordinates,has disorder","276221","2022-06-24","07:07:06",""
"8105491","8.2496","0.0003","11.4366","0.0004","12.9504","0.0004","109.171","0.003","92.496","0.003","100.208","0.003","1128.98","0.07","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H46 Au2 F2 N2 O2 P2 S2 -","- C46 H46 Au2 F2 N2 O2 P2 S2 -","- C46 H46 Au2 F2 N2 O2 P2 S2 -","1","0.5","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of (μ2-1,1′-bis(diphenylphosphino)hexane-κ2 P,P′)-bis[(Z)-N-(3-fluorophenyl)-O-methylthiocarbamato-κS]digold(I), C46H46Au2F2N2O2P2S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1449","1451","10.1515/ncrs-2020-0354","","","0.71073","MoKα","","0.028","0.0246","","","0.0535","0.056","","","","","","1.013","","","","has coordinates,has disorder","276222","2022-06-24","07:11:42",""
"8105492","7.82927","0.00004","11.64209","0.00005","26.2493","0.0001","90","","95.6985","0.0004","90","","2380.77","0.018","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 Cd2 N6 O4 S8 -","- C36 H58 Cd2 N6 O4 S8 -","- C72 H116 Cd4 N12 O8 S16 -","2","0.5","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of tetrakis (N-(2-hydroxyethyl)-N-isopropylcarbamodithioato-κS,S′)-(μ2(2-(pyridin-4-yl)vinyl)pyridine-κN,N′)dicadmium(II), C36H58Cd2N6O4S8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1453","1456","10.1515/ncrs-2020-0355","","","1.54184","CuKα","","0.0163","0.0158","","","0.0408","0.0411","","","","","","1.054","","","","has coordinates","276223","2022-06-24","07:14:55",""
"8105493","8.2091","0.0009","13.9215","0.0016","16.528","0.0019","90","","94.067","0.001","90","","1884.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F6 N2 S -","- C20 H12 F6 N2 S -","- C80 H48 F24 N8 S4 -","4","1","","Li, Ying","Crystal structure of 4-(2-(benzo[b]thiophen-2-yl)-3,3,4,4,5,5-hexafluorocyclopent-1-en-1-yl)-1,5-dimethyl-1H-pyrrole-2-carbonitrile, C20H12F6N2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1457","1459","10.1515/ncrs-2020-0357","","","0.71073","MoKα","","0.0499","0.0421","","","0.1147","0.1226","","","","","","1.035","","","","has coordinates,has disorder","276224","2022-06-24","07:17:56",""
"8105494","13.6087","0.0003","7.4645","0.0002","21.7967","0.0006","90","","104.322","0.0009","90","","2145.34","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Bi Cl5 N2 -","- C14 H28 Bi Cl5 N2 -","- C56 H112 Bi4 Cl20 N8 -","4","1","","Ma, Yuxin; Hao, Munan; Zhong, Xin; Zhou, Junyan; Zhang, Zeyu; Jin, Shifeng; Zhao, Changchun","Crystal structure of bis(octahydrocyclopenta[c]pyrrolium)pentachlorobismuthate(III), (C7NH14)2BiCl5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1461","1462","10.1515/ncrs-2020-0358","","","0.71073","MoKα","","0.0242","0.0205","","","0.0511","0.0528","","","","","","1.025","","","","has coordinates","276225","2022-06-24","07:21:42",""
"8105495","23.625","0.003","11.6837","0.0012","11.9293","0.0012","90","","94.646","0.001","90","","3282","0.6","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","The crystal structure of diaqua-tris(nitrato-κ^2^<i>O</i>,<i>O</i>') -bis(4,4,5,5-tetramethyl-2-(<i>p</i>-pyridyl)imidazoline-1-oxyl 3-oxide-κ<i>N</i>)samarium(III), C~24~H~36~N~9~O~15~Sm","","- C24 H36 N9 O15 Sm -","- C24 H36 N9 O15 Sm -","- C96 H144 N36 O60 Sm4 -","4","0.5","","Li, Dongjiao","The crystal structure of diaqua-tris(nitrato-κ2 O,O′)-bis(4,4,5,5-tetramethyl-2-(p-pyridyl)imidazoline-1-oxyl 3-oxide-κN)samarium(III), C24H36N9O15Sm","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1463","1464","10.1515/ncrs-2020-0359","","","0.71073","MoKα","","0.0192","0.0173","","","0.0444","0.0449","","","","","","1.069","","","","has coordinates","276226","2022-06-24","07:25:36",""
"8105496","7.5845","0.0004","14.7024","0.0005","18.1433","0.0006","90","","98.753","0.004","90","","1999.6","0.14","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N O6 -","- C23 H23 N O6 -","- C92 H92 N4 O24 -","4","1","","Li, Wu-Wu; Liu, Xiong-Li","Synthesis and crystal structure of methyl 2-(2-((tert-butoxycarbonyl)amino)phenyl)-2-(4-oxo-4H-chromen-3-yl)acetate, C23H23NO6","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1465","1467","10.1515/ncrs-2020-0360","","","0.71073","MoKα","","0.0478","0.0389","","","0.0904","0.0965","","","","","","1.03","","","","has coordinates","276227","2022-06-24","07:29:45",""
"8105497","8.6849","0.001","18.74","0.002","10.0465","0.0012","90","","112.845","0.003","90","","1506.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N O2 S -","- C14 H19 N O2 S -","- C56 H76 N4 O8 S4 -","4","1","","Caracelli, Ignez; Zukerman-Schpector, Julio; Garcia, Ariel L. Llanes; Alvarez, Heiddy Márquez; Tiekink, Edward R.T.","Crystal structure of O-hexyl benzoylcarbamothioate, C14H19NO2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1469","1471","10.1515/ncrs-2020-0361","","","0.71073","MoKα","","0.1161","0.0685","","","0.1708","0.2023","","","","","","1.04","","","","has coordinates","276228","2022-06-24","07:32:19",""
"8105498","10.252","0.0003","13.2252","0.0004","14.9378","0.0003","78.424","0.002","78.388","0.002","84.534","0.003","1940.35","0.09","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H39 Ag Cl N O P2 S -","- C44 H39 Ag Cl N O P2 S -","- C88 H78 Ag2 Cl2 N2 O2 P4 S2 -","2","1","","Yeo, Chien Ing; Teow, Sin-Yeang; Liew, Li Yuan; Chew, Jactty; Tiekink, Edward R.T.","Crystal structure of chlorido-(O-methyl phenylcarbamothioamide-κS)-bis(triphenylphosphane-κP)silver(I), C44H39AgClNOP2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1473","1475","10.1515/ncrs-2020-0362","","","0.71073","MoKα","","0.0575","0.0382","","","0.073","0.0807","","","","","","1.017","","","","has coordinates","276229","2022-06-24","07:36:12",""
"8105499","10.193","0.0003","18.3087","0.0006","21.3088","0.0006","90","","94.516","0.003","90","","3964.3","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H41 Ag Cl N O P2 S -","- C45 H41 Ag Cl N O P2 S -","- C180 H164 Ag4 Cl4 N4 O4 P8 S4 -","4","1","","Yeo, Chien Ing; Liew, Li Yuan; Chew, Jactty; Teow, Sin-Yeang; Tiekink, Edward R.T.","Crystal structure of chlorido-(O-ethyl phenylcarbamothioamide-κS)-bis(triphenylphosphane-κP)-silver(I), C45H41AgClNOP2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1477","1480","10.1515/ncrs-2020-0363","","","0.71073","MoKα","","0.0509","0.0353","","","0.071","0.081","","","","","","1.016","","","","has coordinates","276230","2022-06-24","07:39:34",""
"8105500","7.4325","0.0003","7.5171","0.0003","23.7377","0.0009","87.78","0.003","89.105","0.003","61.299","0.004","1162.42","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","2","","Hanifa, Bibi; Sirajuddin, Muhammad; Khan, Hizbullah; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of 4-[(2-methoxyphenyl)carbamoyl]butanoic acid, C12H15NO4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1481","1483","10.1515/ncrs-2020-0364","","","1.54184","CuKα","","0.0626","0.0566","","","0.1618","0.1652","","","","","","1.136","","","","has coordinates","276231","2022-06-24","07:43:48",""
"8105501","6.7876","0.0002","8.8984","0.0002","22.3399","0.0006","90","","90","","90","","1349.3","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","1","","Caracelli, Ignez; Zukerman-Schpector, Julio; Rodrigues, Alessandro; Vinhato, Elisângela; Olivato, Paulo R.; Tiekink, Edward R.T.","Crystal structure of ethyl 4-methyl-2-oxo-5-phenyl-1,3,4-oxadiazinane-3-carboxylate, C13H16N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1485","1487","10.1515/ncrs-2020-0365","","","0.71073","MoKα","","0.0447","0.0384","","","0.0898","0.0947","","","","","","1.084","","","","has coordinates","276232","2022-06-24","07:47:06",""
"8105502","7.3428","0.0015","11.272","0.002","12.764","0.004","90","","118.73","0.02","90","","926.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Cd N2 O7 -","- C6 H8 Cd N2 O7 -","- C24 H32 Cd4 N8 O28 -","4","1","","Huang, Xiao-Ying; Sun, Shu-Xiang; Wang, Chuan-Qi; Yao, Pei","Crystal structure of catena-poly[diaqua(μ2-2-(hydroxymethyl)-1H-imidazole-4,5-dicarboxylato)cadmium(II)], C6H8CdN2O7","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1489","1491","10.1515/ncrs-2020-0366","","","0.71073","MoKα","","0.0271","0.0261","","","0.0603","0.0609","","","","","","1.131","","","","has coordinates","276233","2022-06-24","07:49:45",""
"8105503","7.5992","0.0003","9.6634","0.0005","34.7499","0.0018","90","","90","","90","","2551.8","0.2","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 Cl N O5 -","- C24 H46 Cl N O5 -","- C96 H184 Cl4 N4 O20 -","4","1","","Ning, Xue-Jing; Yang, Xiao-Bin; Du, Jiang","Crystal structure of (1S)-N-(chloromethyl)-1-((4S,6aR,8aS, 8bR,9aR)-4-methoxy-6a,8a-dimethyl-1,3,4, 5,6,6a,6b,7,8,8a,9a,10,10a,10b-tetradecahydro-8bH-naphtho[2′,1′:4,5] indeno[1,2-b]oxiren-8b-yl)-N-methylethan-1-amine, C24H46ClNO5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1493","1494","10.1515/ncrs-2020-0367","","","0.71073","MoKα","","0.0822","0.0554","","","0.1306","0.1479","","","","","","1.06","","","","has coordinates","276234","2022-06-24","07:53:13",""
"8105504","17.2336","0.0003","4.9604","0.0001","14.3696","0.0003","90","","100.97","0.002","90","","1205.95","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl2 N O3 -","- C11 H11 Cl2 N O3 -","- C44 H44 Cl8 N4 O12 -","4","1","","Hanifa, Bibi; Sirajuddin, Muhammad; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of 4-[(3,5-dichlorophenyl)carbamoyl]butanoic acid, C11H11Cl2NO3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1495","1497","10.1515/ncrs-2020-0368","","","1.54184","CuKα","","0.0356","0.0313","","","0.0817","0.0848","","","","","","1.062","","","","has coordinates","276235","2022-06-24","07:55:53",""
"8105505","6.9017","0.0004","6.9496","0.0002","11.2372","0.0007","88.218","0.004","76.489","0.005","77.575","0.004","511.69","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H8 N4 O2 -","- C11 H8 N4 O2 -","- C22 H16 N8 O4 -","2","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of (2Z)-2-amino-3-[(E)-[(2,4-dihydroxyphenyl)methylidene]-amino]but-2-enedinitrile, C11H8N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1499","1501","10.1515/ncrs-2020-0369","","","1.54184","CuKα","","0.0463","0.0417","","","0.115","0.12","","","","","","1.046","","","","has coordinates","276236","2022-06-24","08:16:46",""
"8105506","9.3084","0.0019","7.9523","0.0016","16.905","0.003","90","","92.26","0.03","90","","1250.4","0.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 N3 S -","- C12 H17 N3 S -","- C48 H68 N12 S4 -","4","1","","Tan, Ming Yueh; Kwong, Huey Chong; Crouse, Karen A.; Ravoof, Thahira B.S.A.; Tiekink, Edward R.T.","Crystal structure of 3-methyl-1-[(E)-(4-phenylbutan-2-ylidene)amino]thiourea, C12H17N3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1503","1505","10.1515/ncrs-2020-0371","","","1.5418","CuKα","","0.0357","0.033","","","0.0889","0.0914","","","","","","1.053","","","","has coordinates","276237","2022-06-24","08:20:35",""
"8105507","11.506","0.003","16.122","0.003","15.805","0.003","90","","99.433","0.003","90","","2892.2","1.1","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 B Cu N6 O -","- C31 H28 B Cu N6 O -","- C124 H112 B4 Cu4 N24 O4 -","4","1","","Fujisawa, Kiyoshi; Yabe, Makoto; Tiekink, Edward R.T.","Crystal structure of carbonyl{hydridotris[3-phenyl-5-methylpyrazol-1-yl]borato-κ3 N,N′N′′}copper(I), C31H28BCuN6O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1507","1509","10.1515/ncrs-2020-0372","","","0.71075","MoKα","","0.0686","0.0501","","","0.1164","0.126","","","","","","1.111","","","","has coordinates","276238","2022-06-24","08:23:52",""
"8105508","12.8582","0.0001","12.4664","0.0001","15.4358","0.0001","90","","95.738","0.001","90","","2461.89","0.03","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 O6 P2 -","- C26 H28 O6 P2 -","- C104 H112 O24 P8 -","4","0.5","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of ethane-1,2-diylbis(diphenylphosphine oxide) – dihydrogenperoxide (1/2), C26H28O6P2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1511","1513","10.1515/ncrs-2020-0373","","","1.54184","CuKα","","0.0301","0.0296","","","0.0804","0.0809","","","","","","1.062","","","","has coordinates","276239","2022-06-24","08:28:54",""
"8105509","10.2029","0.0002","10.6071","0.0002","12.1389","0.0003","71.395","0.002","82.665","0.002","73.34","0.002","1191.84","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Cl3 N3 Sn -","- C24 H24 Cl3 N3 Sn -","- C48 H48 Cl6 N6 Sn2 -","2","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of 2-(pyridin-2-ylamino)pyridinium chloride dibenzyldichlorostannane, [C10H10N3]Cl, C14H14Cl2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1515","1517","10.1515/ncrs-2020-0375","","","1.54184","CuKα","","0.0184","0.0175","","","0.0441","0.0447","","","","","","1.019","","","","has coordinates","276240","2022-06-24","08:32:37",""
"8105510","5.0167","0.0002","7.9264","0.0005","15.2073","0.0007","98.909","0.004","92.06","0.004","101.8","0.004","583.36","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C24 H30 N2 O8 -","2","1","","Sirajuddin, Muhammad; Hanifa, Bibi; Ullah, Sharif; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of 4-[(3-methoxyphenyl)carbamoyl]butanoic acid, C12H15NO4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1519","1521","10.1515/ncrs-2020-0376","","","1.54184","CuKα","","0.0488","0.0403","","","0.1053","0.1179","","","","","","1.093","","","","has coordinates","276241","2022-06-24","08:35:37",""
"8105511","10.636","0.0002","10.8406","0.0002","12.5727","0.0002","94.152","0.001","107.195","0.002","112.549","0.002","1250.31","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H50 Cl4 O2 P2 Sn -","- C54 H50 Cl4 O2 P2 Sn -","- C54 H50 Cl4 O2 P2 Sn -","1","0.5","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of dichlorido-bis(tri-4-tolylphosphane oxide-κO)-di(4-chlorophenyl-κC)tin(IV), C54H50Cl4O2P2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1523","1525","10.1515/ncrs-2020-0377","","","1.54184","CuKα","","0.0195","0.0194","","","0.0529","0.0529","","","","","","1.031","","","","has coordinates","276242","2022-06-24","09:27:31",""
"8105512","17.8312","0.0001","12.0291","0.0001","18.5895","0.0001","90","","90","","90","","3987.32","0.05","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H48 Cl2 O2 P2 Sn -","- C44 H48 Cl2 O2 P2 Sn -","- C176 H192 Cl8 O8 P8 Sn4 -","4","0.5","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of dichloridodimethylbis(tri-4-tolylphosphane oxide-κO)-tin(IV), C44H48Cl2O2P2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1527","1529","10.1515/ncrs-2020-0378","","","1.54184","CuKα","","0.0205","0.0196","","","0.0557","0.0564","","","","","","1.02","","","","has coordinates","276243","2022-06-24","09:30:45",""
"8105513","13.7584","0.0001","13.5542","0.0001","13.0912","0.0001","90","","115.778","0.001","90","","2198.36","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cl N O Sn -","- C24 H22 Cl N O Sn -","- C96 H88 Cl4 N4 O4 Sn4 -","4","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of chlorido(2-methylquinolin-8-olato-κ2 N,O)-bis(4-tolyl-κC)tin(IV), C24H22ClNOSn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1531","1533","10.1515/ncrs-2020-0379","","","1.54184","CuKα","","0.0175","0.017","","","0.0445","0.0448","","","","","","1.043","","","","has coordinates","276244","2022-06-24","09:33:35",""
"8105514","11.0098","0.0008","16.471","0.001","8.4975","0.0007","90","","99.421","0.007","90","","1520.17","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 Cl3 O2 Te -","- C11 H13 Cl3 O2 Te -","- C44 H52 Cl12 O8 Te4 -","4","1","","Caracelli, Ignez; Zukerman-Schpector, Julio; Cunha, Rodrigo L.O.R.; Tiekink, Edward R.T.","Crystal structure of (E)-dichloro(1-chloro-3-methoxyprop-1-en-2-yl)(4-methoxyphenyl)-λ4-tellane, C11H13Cl3O2Te","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1535","1537","10.1515/ncrs-2020-0380","","","0.71073","MoKα","","0.0456","0.0306","","","0.0799","0.0852","","","","","","1.091","","","","has coordinates","276245","2022-06-24","09:36:09",""
"8105515","9.1777","0.0005","12.3828","0.0007","13.3137","0.0007","102.157","0.005","101.395","0.004","100.771","0.004","1408.14","0.14","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 N6 O2 S2 Zn -","- C26 H36 N6 O2 S2 Zn -","- C52 H72 N12 O4 S4 Zn2 -","2","1","","Tan, Ming Yueh; Kwong, Huey Chong; Crouse, Karen A.; Ravoof, Thahira B.S.A.; Tiekink, Edward R.T.","Crystal structure of bis{N-methyl-N′-[3-(4-methoxyphenyl)-1-methylpropane-1-ylidene]carbamohydrazonothioato}zinc(II), C26H36N6O2S2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1539","1541","10.1515/ncrs-2020-0381","","","0.71073","MoKα","","0.0761","0.0489","","","0.0989","0.1147","","","","","","1.031","","","","has coordinates","276246","2022-06-24","09:38:38",""
"8105516","11.5623","0.0009","11.5732","0.0012","13.4379","0.0011","82.003","0.008","77.597","0.007","76.048","0.008","1697.1","0.3","286.4","0.1","286.4","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 Co N4 O9 -","- C40 H24 Co N4 O9 -","- C80 H48 Co2 N8 O18 -","2","1","","Luo, Jie; Gu, Guang-Na; Wang, Xiao-Wei","Crystal structure of (2-carboxy-4-(3-carboxy-5-carboxylatophenoxy)benzoato-κ2 O,O′)bis(1,10-phenantroline-κ2 N,N′)cobalt(II), C40H24N4O9Co","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1543","1545","10.1515/ncrs-2020-0383","","x-ray","0.71073","MoKα","","0.0665","0.0462","","","0.094","0.1021","","","","","","1.045","","","","has coordinates","276247","2022-06-24","09:41:10",""
"8105517","11.816","0.002","7.4064","0.0015","17.101","0.003","90","","97.01","0.03","90","","1485.4","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H52 O5 -","- C32 H52 O5 -","- C64 H104 O10 -","2","1","","Liu, Li; Wang, Hui-yun; Zhou, Xia; Zhang, Sheng-Nan; Chen, Xiao-Qian; Zhao, Feng-Lan; Meng, Qing-Guo","The crystal structure of (3S,8R,10R,14R)-17-((2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-4,4,8,10,14-pentamethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate, C32H52O5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1547","1549","10.1515/ncrs-2020-0384","","","0.71073","MoKα","","0.0572","0.0543","","","0.1426","0.1501","","","","","","1.077","","","","has coordinates","276248","2022-06-24","09:43:55",""
"8105518","8.3276","0.0001","13.1116","0.0001","13.5547","0.0001","110.309","0.001","103.132","0.001","105.601","0.001","1249.87","0.03","100","2","100","2","","","","","","","","10","P -1","-P 1","2","","","","- C51 H43 Au2 Cl3 F2 Fe N2 O2 P2 S2 -","- C51 H43 Au2 Cl3 F2 Fe N2 O2 P2 S2 -","- C51 H43 Au2 Cl3 F2 Fe N2 O2 P2 S2 -","1","0.5","","Yeo, Chien Ing; Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of (μ2-1,1′-bis(diphenylphosphino)ferrocene-κ2 P,P′)-bis[(Z)N-(3-fluorophenyl)-O-methylthiocarbamato-S]digold(I) chloroform solvate, C50H42Au2F2FeN2O2P2S2, CHCl3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1551","1553","10.1515/ncrs-2020-0386","","","1.54184","CuKα","","0.0154","0.0153","","","0.0387","0.0387","","","","","","1.097","","","","has coordinates,has disorder","276249","2022-06-24","09:46:38",""
"8105519","19.3535","0.0007","10.087","0.0004","12.4174","0.0005","90","","97.37","0.001","90","","2404.08","0.16","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-poly[(<i>μ</i>~2~-molybdato-<i>κ</i>^2^<i>O</i>:<i>O</i>\υ008242)-\ di(<i>μ</i>~2~-1,4-di(1H-imidazol-1-yl)benzene-<i>κ</i>^2^<i>N</i>:\ <i>N</i>\υ008242)-cobalt (II)]","","- C24 H20 Co Mo N8 O4 -","- C24 H20 Co Mo N8 O4 -","- C96 H80 Co4 Mo4 N32 O16 -","4","0.5","","Zhou, Cheng-Yong; Du, Yu-Jie; Su, Feng; Zhang, Bao-Xiu; Li, Shao-Dong","Crystal structure of poly[bis(μ2-1,4-di(1H-imidazol-1-yl)benzene-κ2 N:N′)-(μ2-tetraoxidomolybdato(VI)-κ2 O:O′)cobalt(II)], C24H20N8O4MoCo","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1555","1557","10.1515/ncrs-2020-0388","","","0.71073","MoKα","","0.0246","0.0218","","","0.0561","0.0577","","","","","","1.099","","","","has coordinates","276250","2022-06-24","09:49:21",""
"9017147","12.203","","12.203","","12.203","","90","","90","","90","","1817.19","","","","","","","","","","","","Fornovolasco mine, Apuan Alps, Italy","7","P a -3","-P 2ac 2ab 3","205","","","Alum-(K)","- Al0.877 Fe0.123 H24 K0.879 O20 S2 Tl0.121 -","- Al0.877 Fe0.123 H24 K0.879 O20 S2 Tl0.121 -","- Al3.508 Fe0.492 H96 K3.516 O80 S8 Tl0.484 -","4","0.166667","","Biagioni, C.; Mauro, D.; Pasero, M.; Bonaccorsi, E.; Lepore, G. O.; Zaccarini, F.; Skogby, H.","Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy). VI. Tl-bearing alum-(K) and voltaite from the Fornovolasco mining complex","American Mineralogist","2020","105","","1088","1098","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017148","27.2635","","27.2635","","27.2635","","90","","90","","90","","20264.9","","","","","","","","","","","","Fornovolasco mine, Apuan Alps, Italy","8","F d -3 c :2","-F 4ud 2vw 3","228","","","Voltaite","- Al Fe6.44 H24 K1.872 Mg1.56 O66 S12 Tl0.128 -","- Al Fe6.44 H24 K1.872 Mg1.56 O66 S12 Tl0.128 -","- Al16 Fe103.04 H384 K29.952 Mg24.96 O1056 S192 Tl2.048 -","16","0.0833333","","Biagioni, C.; Mauro, D.; Pasero, M.; Bonaccorsi, E.; Lepore, G. O.; Zaccarini, F.; Skogby, H.","Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy). VI. Tl-bearing alum-(K) and voltaite from the Fornovolasco mining complex","American Mineralogist","2020","105","","1088","1098","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017284","9.448","","18.3183","","17.9825","","90","","92.274","","90","","3109.8","","","","100","","","","","","","","the Monte Arsiccio mine, Apuan Alps, Tuscany, Italy","5","P 1 21/c 1","-P 2ybc","14","","","Giacovazzoite","- Fe3 H17 K5 O35 S6 -","- Fe3 H17 K5 O35 S6 -","- Fe12 H68 K20 O140 S24 -","4","1","","Biagioni, C.; Bindi, L.; Mauro, D.; Pasero, M.","Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy). IV. Giacovazzoite, K5Fe3+3O(SO4)6(H2O)9*H2O, the natural analogue of the ß-Maus's salt and its dehydration product Note: T = 100 K","Physics and Chemistry of Minerals","2020","47","","","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017285","9.3434","","18.1838","","17.7702","","90","","96.381","","90","","3000.43","","","","","","","","","","","","the Monte Arsiccio mine, Apuan Alps, Tuscany, Italy","5","P 1 21/c 1","-P 2ybc","14","","","Giacovazzoite","- Fe3 H8 K5 O31.52 S6 -","- Fe3 H8 K5 O31.52 S6 -","- Fe12 H32 K20 O126.08 S24 -","4","1","","Biagioni, C.; Bindi, L.; Mauro, D.; Pasero, M.","Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy). IV. Giacovazzoite, K5Fe3+3O(SO4)6(H2O)9*H2O, the natural analogue of the beta-Maus's salt and its dehydration product Note: this is the dehydration product","Physics and Chemistry of Minerals","2020","47","","","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017286","10.637","","22.797","","5.4136","","90","","90","","90","","1312.75","","","","","","","","","","","","Blue Bell mine, California, USA","3","P n m a","-P 2ac 2n","62","","","Pingguite","- Bi6 O15 Te2 -","- Bi6 O15 Te2 -","- Bi24 O60 Te8 -","4","0.5","","Nenert, G.; Missen, O. P.; Lian, H.; Weil, M.; Blake, G. R.; Kampf, A. R.; Mills, S. J.","Crystal structure and thermal behavior of Bi6Te2O15: investigation of synthetic and natural pingguite","Physics and Chemistry of Minerals","2020","47","","","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017287","10.61155","","22.74458","","5.399038","","90","","90","","90","","1303.09","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Pingguite","- Bi5 O16 Te -","- Bi3 O7.5 Te -","- Bi24 O60 Te8 -","8","1","","Nenert, G.; Missen, O. P.; Lian, H.; Weil, M.; Blake, G. R.; Kampf, A. R.; Mills, S. J.","Crystal structure and thermal behavior of Bi6Te2O15: investigation of synthetic and natural pingguite","Physics and Chemistry of Minerals","2020","47","","","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017476","6.18","","23.583","","6.54","","94.14","","101.68","","96.35","","923.305","","","","","","","","","","","","Tierra Amarilla, Chile","4","P -1","-P 1","2","","","Quenstedtite","- Fe2 H22 O23 S3 -","- Fe2 H22 O23 S3 -","- Fe4 H44 O46 S6 -","2","1","","Mereiter, K.","Experimental crystal structure determination","ICSD Communications","2020","2020","","","","10.25505/fiz.icsd.cc25lg8j","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017718","24.038","","7.444","","10.387","","90","","90","","90","","1858.64","","","","","","","","","","","","Alcantarilla mine, Cordoba, Andalusia, Spain","7","I m m a","-I 2b 2","74","","","Alcantarillaite","- As3.44 Ca0.68 Fe3.066 H8.352 O19.356 P0.48 W0.448 -","- As3.44 Ca0.68 Fe3.066 H8.352 O19.356 P0.48 W0.448 -","- As13.76 Ca2.72 Fe12.264 H33.408 O77.424 P1.92 W1.792 -","4","0.25","","Grey, I. E.; Hochleitner, R.; Rewitzer, C.; Riboldi-Tunnicliffe A; Kampf, A. R.; MacRae, C. M.; Mumme, W. G.; Kaliwoda, M.; Friis, H.; Martin, C. U.","The walentaite group and the description of a new member, alcantarillaite, from the Alcantarilla mine, Belalcazar, Cordoba, Andalusia, Spain","Mineralogical Magazine","2020","84","","412","419","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017719","7.298","","6.588","","7.84","","90","","117.15","","90","","335.408","","","","","","","","","","","","Arsenatnaya fumarole, Tolbachik volcano, Kamchatka Peninsula, Russia","3","P 1 21/m 1","-P 2yb","11","","","Glikinite","- O9 S2 Zn3 -","- O9 S2 Zn3 -","- O18 S4 Zn6 -","2","0.5","","Nazarchuk, E. V.; Siidra, O. I.; Nekrasova, D. O.; Shilovskikh, V. V.; Borisov, A. S.; Avdontseva, E. Y.","Glikinite, Zn3O(SO4)2, a new anhydrous zinc oxysulfate mineral structurally based on OZn4 tetrahedra","Mineralogical Magazine","2020","84","","563","567","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017720","15.3994","","17.6598","","7.80827","","90","","90","","90","","2123.46","","","","373.15","","","","","","","","Cap Garonne, France","4","P n m a","-P 2ac 2n","62","","","Bulachite","- Al2 As H7 O9 -","- Al2 As H7 O9 -","- Al24 As12 H84 O108 -","12","1.5","","Grey, I. E.; Yoruk, E.; Kodjikian, S.; Klein, H.; Bougerol, C.; Brand, H. E. A.; Bordet, P.; Mumme, W. G.; Favreau, G.; Mills, S. J.","Bulachite, [Al6(AsO4)3(OH)9(H2O)4]*2H2O from Cap Garonne, France: Crystal structure and formation from a higher hydrate Note: T = 100 C","Mineralogical Magazine","2020","84","","608","615","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:09",""
"9017721","6.807","","5.897","","20.653","","90","","90","","90","","829.03","","","","","","","","","","","","Lagoscuro mine, Italy","4","P m n 21","P 2ac -2","31","","","Isselite","- Cu6 H20 O19 S -","- Cu6 H20 O19 S -","- Cu12 H40 O38 S2 -","2","0.5","","Biagioni, C.; Belmonte, D.; Carbone, C.; Cabella, R.; Demitri, N.; Perchiazzi, N.; Kampf, A. R.; Bosi, F.","Isselite, Cu6(SO4)(OH)10(H2O)4*H2O, a new mineral species from Eastern Liguria, Italy","Mineralogical Magazine","2020","84","","653","661","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017722","12.6153","","9.0264","","12.7166","","90","","108.311","","90","","1374.73","","","","","","","","","","","","Great Tolbachik fissure, Kamchatka Peninsula, Russia","7","P 1 21/c 1","-P 2ybc","14","","","Petrovite","- Ca0.47 Cu0.883 K0.1 Mg0.117 Na4.96 O16 S4 -","- Ca0.47 Cu0.883 K0.1 Mg0.117 Na4.96 O16 S4 -","- Ca1.88 Cu3.532 K0.4 Mg0.468 Na19.84 O64 S16 -","4","1","","Filatov, S. K.; Shablinskii, A. P.; Krivovichev, S. V.; Vergasova, L. P.; Moskaleva, S. V.","Petrovite, Na10CaCu2(SO4)8, a new fumarolic sulfate from the Great Tolbachik fissure eruption, Kamchatka Peninsula, Russia","Mineralogical Magazine","2020","84","","691","698","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:28",""
"9017723","17.436","","17.436","","6.1295","","90","","90","","120","","1613.8","","","","","","","","","","","","Fallowfield mine, Northumberland, England","4","P 3 1 m","P 3 -2","157","","","Alstonite","- C2 Ba Ca O6 -","- C2 Ba Ca O6 -","- C24 Ba12 Ca12 O72 -","12","2","","Bindi, L.; Roberts, A. C.; Biagioni, C.","The crystal structure of alstonite, BaCa(CO3)2: an extraordinary example of 'hidden' complex twinning in large single crystals","Mineralogical Magazine","2020","84","","699","704","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017724","9.58711","","9.60888","","9.6467","","90","","103.446","","90","","864.308","","","","","","","","","","","","guano deposit at Pabellon de Pica, Iquique Province, Chile","6","P 1 21/n 1","-P 2yn","14","","","Ammoniotinsleyite","- Al2 H8.52 K0.12 N0.88 O11 P2 -","- Al2 H8.52 K0.12 N0.88 O11 P2 -","- Al8 H34.08 K0.48 N3.52 O44 P8 -","4","1","","Chukanov, N. V.; Möhn G; Pekov, I. V.; Zubkova, N. V.; Ksenofontov, D. A.; Belakovskiy, D. I.; Vozchikova, S. A.; Britvin, S. N.; Desor, J.","Ammoniotinsleyite, (NH4)Al2(PO4)2(OH)*2H2O, a new mineral species from the guano deposit at Pabellón de Pica, Iquique Province, Chile","Mineralogical Magazine","2020","84","","705","711","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:35",""
"9017725","12.5077","","3.8034","","16.0517","","90","","94.19","","90","","761.567","","","","","","","","","","","","Vorontsovskoe gold deposit, Northern Urals, Russia","4","C 1 2/m 1","-C 2y","12","","","Luborzakite","- As4 Mn2 S10 Sb2 -","- As4 Mn2 S10 Sb2 -","- As8 Mn4 S20 Sb4 -","2","0.25","","Kasatkin, A. V.; Makovicky, E.; Plasil, J.; Skoda, R.; Agakhanov, A. A.; Stepanov, S. Y.; Palamarchuk, R. S.","Luborzakite, Mn2AsSbS5, a new member of pavonite homologous series from Vorontsovskoe gold deposit, Northern Urals, Russia","Mineralogical Magazine","2020","84","","738","745","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:28",""
"9017726","7.3344","","7.387","","7.5255","","98.869","","102.566","","119.096","","331.19","","","","","","","","","","","","Kaarreoja River, Inari commune, Finnish Lapland, Finland","3","P -1","-P 1","2","","","Arsenopalladinite","- As5 Pd16 Sb -","- As5 Pd16 Sb -","- As5 Pd16 Sb -","1","0.5","","Karimova, O. V.; Zolotarev, A. A.; Johanson, B. S.; Evstigneeva, T. L.","The crystal structure of arsenopalladinite, Pd8As2.5Sb0.5, and its relation to mertieite-II, Pd8Sb2.5As0.5","Mineralogical Magazine","2020","84","","746","752","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017727","17.531","","18.555","","9.13","","90","","103.95","","90","","2882.28","","","","","","","","","","","","Markey mine, Utah, USA","4","P 1 21/m 1","-P 2yb","11","","","Pseudomarkeyite","- C12 Ca8 O65 U4 -","- C12 Ca8 O65 U4 -","- C24 Ca16 O130 U8 -","2","0.5","","Kampf, A. R.; Olds, T. A.; Plasil, J.; Burns, P. C.; Marty, J.","Natromarkeyite and pseudomarkeyite, two new calcium uranyl carbonate minerals from the Markey mine, San Juan County, Utah, USA","Mineralogical Magazine","2020","84","","753","765","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017728","17.882","","18.303","","10.2249","","90","","90","","90","","3346.55","","","","","","","","","","","","Markey mine, Utah, USA","6","P m m n :2","-P 2ab 2a","59","","","Natromarkeyite","- C13 H42 Ca8 Na2 O74.148 U4 -","- C13 H42 Ca8 Na2 O74.148 U4 -","- C26 H84 Ca16 Na4 O148.296 U8 -","2","0.25","","Kampf, A. R.; Olds, T. A.; Plasil, J.; Burns, P. C.; Marty, J.","Natromarkeyite and pseudomarkeyite, two new calcium uranyl carbonate minerals from the Markey mine, San Juan County, Utah, USA","Mineralogical Magazine","2020","84","","753","765","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017729","5.0275","","14.2668","","7.1663","","90","","105.123","","90","","496.211","","","","","","","","","","","","Monte Arsiccio mine, Apuan Alps, Italy","7","C 1 2/m 1","-C 2y","12","","","Graeserite","- As0.968 Ba0.232 Fe2.654 O14 Pb0.089 Sb0.032 Ti4.346 -","- As0.968 Ba0.232 Fe2.654 O14 Pb0.0888 Sb0.032 Ti4.346 -","- As1.936 Ba0.464 Fe5.308 O28 Pb0.1776 Sb0.064 Ti8.692 -","2","0.25","","Biagioni, C.; Bonaccorsi, E.; Perchiazzi, N.; Halenius, U.; Zaccarini, F.","Derbylite and graeserite from the Monte Arsiccio mine, Apuan Alps, Tuscany, Italy: occurrence and crystal-chemistry Note: Sample G","Mineralogical Magazine","2020","84","","766","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017730","5.0225","","14.3114","","7.1743","","90","","104.878","","90","","498.393","","","","","","","","","","","","Monte Arsiccio mine, Apuan Alps, Italy","6","C 1 2/m 1","-C 2y","12","","","Graeserite","- As0.69 Ba0.232 Fe0.94 O14 Sb0.31 Ti6.06 -","- As0.69 Ba0.232 Fe0.94 O14 Sb0.31 Ti6.06 -","- As1.38 Ba0.464 Fe1.88 O28 Sb0.62 Ti12.12 -","2","0.25","","Biagioni, C.; Bonaccorsi, E.; Perchiazzi, N.; Halenius, U.; Zaccarini, F.","Derbylite and graeserite from the Monte Arsiccio mine, Apuan Alps, Tuscany, Italy: occurrence and crystal-chemistry Note: Sample F","Mineralogical Magazine","2020","84","","766","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017731","7.169","","14.3515","","4.9867","","90","","104.82","","90","","495.994","","","","","","","","","","","","Monte Arsiccio mine, Apuan Alps, Italy","6","P 1 21/m 1","-P 2yb","11","","","Derbylite","- Ba0.045 Fe3.928 H O14 Sb Ti3.072 -","- Ba0.0446 Fe3.928 H O14 Sb Ti3.072 -","- Ba0.0892 Fe7.856 H2 O28 Sb2 Ti6.144 -","2","0.5","","Biagioni, C.; Bonaccorsi, E.; Perchiazzi, N.; Halenius, U.; Zaccarini, F.","Derbylite and graeserite from the Monte Arsiccio mine, Apuan Alps, Tuscany, Italy: occurrence and crystal-chemistry","Mineralogical Magazine","2020","84","","766","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","283869","2023-05-18","18:03:01",""
"9017732","10.5456","","10.5456","","10.5456","","90","","90","","90","","1172.77","","","","","","","","","","","","Jabal Sayid, Saudi Arabia","7","F d -3 m :2","-F 4vw 2vw 3","227","","","Hydroxyplumbopyrochlore","- Ca0.06 H0.61 Nb1.76 O6.61 Pb1.34 Ta0.12 Ti0.12 -","- Ca0.06 Nb1.76 O6.61 Pb1.34 Ta0.12 Ti0.12 -","- Ca0.48 Nb14.08 O52.88 Pb10.72 Ta0.96 Ti0.96 -","8","0.0416667","","Li, T.; Li, Z.; Fan, G.; Fan, H.; Zhong, J.; Jahdali, N. S.; Qin, M.; Jehani, A. M.; Wang, F.; Nahdi, M. M.","Hydroxyplumbopyrochlore, (Pb1.5,[]0.5)Nb2O6(OH), a new member of the pyrochlore group from Jabal Sayid, Saudi Arabia","Mineralogical Magazine","2020","84","","785","790","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017733","10.3673","","13.713","","4.842","","90","","105.992","","90","","661.732","","","","","","","","","","","","Monte Nero mine, Liguria, Italy","5","C 1 2/m 1","-C 2y","12","","","Monteneroite","- As2 Cu0.69 H16 Mn2.31 O16 -","- As2 Cu0.69 H16 Mn2.31 O16 -","- As4 Cu1.38 H32 Mn4.62 O32 -","2","0.25","","Kampf, A. R.; Plasil, J.; Nash, B. P.; Ciriotti, M. E.; Castellaro, F.; Chiappino, L.","Monteneroite, Cu2+Mn2+2(AsO4)2*8H2O, a new vivianite-structure mineral with ordered cations from the Monte Nero mine, Liguria, Italy","Mineralogical Magazine","2020","84","","881","887","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017734","16.5345","","10.04057","","24.6261","","90","","105.891","","90","","3932.08","","","","","","","","","","","","Palermo No. 1 mine, New Hampshire, USA","9","C 1 c 1","C -2yc","9","","","Manganoarrojadite-(KNa)","- Al Ca0.12 Fe9.1 K0.874 Mg1.1 Mn3.68 Na4.752 O50 P12 -","- Al Ca0.12 Fe9.1 K0.874 Mg1.1 Mn3.68 Na4.752 O50 P12 -","- Al4 Ca0.48 Fe36.4 K3.496 Mg4.4 Mn14.72 Na19.008 O200 P48 -","4","1","","Lykova, I.; Rowe, R.; Poirier, G.; Helwig, K.; Friis, H.","Manganoarrojadite-(KNa), KNa5MnFe13Al(PO4)11(PO3OH)(OH)2, a new arrojadite-group mineral from the Palermo No. 1 mine, New Hampshire, USA","Mineralogical Magazine","2020","84","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017754","9.416","","5.3","","10.893","","90","","91.77","","90","","543.354","","","","","","","","","","","","Lavrion Mining District, Greece","5","P 1 c 1","P -2yc","7","","","Stergiouite","- As2 Ca H8 O12 Zn2 -","- As2 Ca H8 O12 Zn2 -","- As4 Ca2 H16 O24 Zn4 -","2","1","","Rieck, B.; Giester, G.; Lengauer, C. L.; Chanmuang, N. C.; Topa, D.","Stergiouite, CaZn2(AsO4)2*4H2O - a new mineral from the Lavrion Mining District, Greece","Mineralogy and Petrology","2020","114","","319","327","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017755","9.9587","","18.2524","","5.3409","","90","","105.02","","90","","937.649","","","","","","","","","","","","Keshiketeng Banner, Inner Mongolia, China","12","C 1 2/m 1","-C 2y","12","","","Potassic-hastingsite","- Al2.148 Ca2.07 Cl0.86 Fe4.68 H1.14 K0.61 Mg0.06 Mn0.06 Na0.2 O23.14 Si5.972 Ti0.04 -","- Al2.148 Ca2.07 Cl0.86 Fe4.68 K0.61 Mg0.06 Mn0.06 Na0.2 O23.14 Si5.972 Ti0.04 -","- Al4.296 Ca4.14 Cl1.72 Fe9.36 K1.22 Mg0.12 Mn0.12 Na0.4 O46.28 Si11.944 Ti0.08 -","2","0.25","","Ren, G.; Li, G.; Shi, J.; Gu, X.; Fan, G.; Yu, A.; Liu, Q.; Shen, G.","Potassic-hastingsite, KCa2(Fe2+4Fe3+)(Si6Al2)O22(OH)2, from the Keshiketeng Banner, Inner Mongolia, China: description of the neotype and its implication","Mineralogy and Petrology","2020","114","","403","412","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:52",""
"9017756","9.7856","","9.7856","","10.7582","","90","","90","","90","","1030.18","","","","","","","","","","","","Tsangli chromitites, Othrys ophiolite, Greece","6","I 4/m m m","-I 4 2","139","","","Arsenotucekite","- As0.65 Co1.08 Fe0.72 Ni16.2 S16 Sb3.35 -","- As0.65 Co1.08 Fe0.72 Ni16.2 S16 Sb3.35 -","- As1.3 Co2.16 Fe1.44 Ni32.4 S32 Sb6.7 -","2","0.0625","","Zaccarini, F.; Luca Bindi, L.; Tsikouras, B.; Grammatikopoulos, T.; Stanley, C. J.; Garuti, G.","Arsenotucekite, Ni18Sb3AsS16, a new mineral from the Tsangli chromitites, Othrys ophiolite, Greece","Mineralogy and Petrology","2020","114","","435","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017757","5.0052","","7.9921","","13.5969","","90","","90","","90","","543.904","","","","","","","","","","","","Roter Bar mine, Harz Mountains, Germany","4","P 21 21 21","P 2ac 2ab","19","","","Roterbarite","- Bi Cu Pd Se3 -","- Bi Cu Pd Se3 -","- Bi4 Cu4 Pd4 Se12 -","4","1","","Vymazalova, A.; Cabral, A. R.; Laufek, F.; Liebmann, W.; Stanley, C. J.; Lehmann, B.","Roterbarite, PdCuBiSe3, a new mineral species from the Roter Bar mine, Harz Mountains, Germany","Mineralogy and Petrology","2020","114","","443","451","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017766","5.1546","","8.9425","","7.4033","","91.704","","104.735","","89.852","","329.882","","","","","","","","","","","","Murfreesboro, Arkansas, USA","8","C 1","C 1","1","","","Kaolinite","- Al1.992 Ca0.012 Fe0.016 H4 Mg0.008 O9 Si1.956 Ti0.018 -","- Al1.992 Ca0.012 Fe0.016 H4 Mg0.008 O9 Si1.956 Ti0.018 -","- Al3.984 Ca0.024 Fe0.032 H8 Mg0.016 O18 Si3.912 Ti0.036 -","2","","","Lee, S.; Xu, H.","Using complementary methods of synchrotron radiation powder diffraction and pair distribution functions to refine crystal structures with high quality parameters - A review Note: X-ray data, chemistry data provided by author","Minerals","2020","10","","","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017767","5.1528","","8.9415","","7.3985","","91.715","","104.756","","89.866","","329.482","","","","","","","","","","","","Murfreesboro, Arkansas, USA","8","C 1","C 1","1","","","Kaolinite","- Al1.992 Ca0.012 Fe0.016 H4 Mg0.008 O9 Si1.956 Ti0.018 -","- Al1.992 Ca0.012 Fe0.016 H4 Mg0.008 O9 Si1.956 Ti0.018 -","- Al3.984 Ca0.024 Fe0.032 H8 Mg0.016 O18 Si3.912 Ti0.036 -","2","","","Lee, S.; Xu, H.","Using complementary methods of synchrotron radiation powder diffraction and pair distribution functions to refine crystal structures with high quality parameters - A review Note: Neutron data, chemistry data provided by author","Minerals","2020","10","","","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017768","5.148","","5.148","","13.649","","90","","90","","120","","313.263","","","","","","","","","","","","Ries impact structure, Germany","4","R -3 :H","-R 3","148","","","Wangdaodeite","- Fe0.92 Mn0.08 O3 Ti -","- Fe0.92 Mn0.08 O3 Ti -","- Fe5.52 Mn0.48 O18 Ti6 -","6","0.333333","","Tschauner, O.; Ma, C.; Newville, M. G.; Lanzirotti, A.","Structure analysis of natural wangdaodeite - LiNbO3-type FeTiO3","Minerals","2020","10","","","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017769","8.73885","","8.73885","","8.1277","","90","","90","","90","","620.692","","","","","","","","","","","","Chuktukon Carbonatite Massif, Russia","6","P 4 b m","P 4 -2ab","100","","","Rippite","- K Nb0.96 O7 Si2 Ti0.02 Zr0.01 -","- K Nb0.96 O7 Si2 Ti0.02 Zr0.01 -","- K4 Nb3.84 O28 Si8 Ti0.08 Zr0.04 -","4","0.5","","Sharygin, V. V.; Doroshkevich, A. G.; Seryotkin, Y. V.; Karmanov, N. S.; Belogub, E. V.; Moroz, T. N.; Nigmatulina, E. N.; Yelisseyev, A. P.; Vedenyapin, V. N.; Kupriyanov, I. N.","Rippite, K2(Nb,Ti)2(Si4O12)O(O,F), a new K-Nb-cyclosilicate from Chuktukon Carbonatite Massif, Chadobets Upland, Krasnoyarsk Territory, Russia","Minerals","2020","10","","","1102","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017770","4.7853","","4.7853","","4.463","","90","","90","","120","","88.507","","","","","","","","","","","","Mt Carmel, Israel","2","P 63/m m c","-P 6c 2c","194","","","Oreillyite","- Cr N0.47 -","- Cr N0.47 -","- Cr2 N0.94 -","2","0.0833333","","Bindi, L.; Camara, F.; Gain, S. E. M.; Griffin, W. L.; Huang, J.; Saunders, M.; Toledo, V.","Kishonite, VH2, and oreillyite, Cr2N, two new minerals from the corundum xenocrysts of Mt Carmel, Northern Israel","Minerals","2020","10","","","1118","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017771","4.268","","4.268","","4.268","","90","","90","","90","","77.745","","","","","","","","","","","","Mt Carmel, Israel","3","F m -3 m","-F 4 2 3","225","","","Kishonite","- Al0.04 H2 V0.96 -","- Al0.04 H2 V0.96 -","- Al0.16 H8 V3.84 -","4","0.0208333","","Bindi, L.; Camara, F.; Gain, S. E. M.; Griffin, W. L.; Huang, J.; Saunders, M.; Toledo, V.","Kishonite, VH2, and oreillyite, Cr2N, two new minerals from the corundum xenocrysts of Mt Carmel, Northern Israel","Minerals","2020","10","","","1118","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017863","6.9103","","7.634","","7.643","","90","","118.002","","90","","355.992","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Kieserite","- H2 Mg O5 S -","- H2 Mg O5 S -","- H8 Mg4 O20 S4 -","4","0.5","","Talla, D.; Balla, M.; Aicher, C.; Lengauer, C. L.; Wildner, M.","Structural and spectroscopic study of the kieserite-dwornikite solid-solution series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical implications for icy moons and Mars","American Mineralogist","2020","105","","1472","1489","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:57",""
"9017864","6.8909","","7.6222","","7.592","","90","","117.984","","90","","352.137","","","","","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Kieserite","- H2 Mg0.764 Ni0.236 O5 S -","- H2 Mg0.764 Ni0.236 O5 S -","- H8 Mg3.056 Ni0.944 O20 S4 -","4","0.5","","Talla, D.; Balla, M.; Aicher, C.; Lengauer, C. L.; Wildner, M.","Structural and spectroscopic study of the kieserite-dwornikite solid-solution series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical implications for icy moons and Mars","American Mineralogist","2020","105","","1472","1489","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:57",""
"9017865","6.8586","","7.6202","","7.5448","","90","","117.842","","90","","348.674","","","","","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Dwornikite","- H2 Mg0.475 Ni0.525 O5 S -","- H2 Mg0.4752 Ni0.5248 O5 S -","- H8 Mg1.9008 Ni2.0992 O20 S4 -","4","0.5","","Talla, D.; Balla, M.; Aicher, C.; Lengauer, C. L.; Wildner, M.","Structural and spectroscopic study of the kieserite-dwornikite solid-solution series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical implications for icy moons and Mars","American Mineralogist","2020","105","","1472","1489","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:57",""
"9017866","6.8446","","7.6144","","7.5018","","90","","117.804","","90","","345.837","","","","","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Dwornikite","- H2 Mg0.241 Ni0.759 O5 S -","- H2 Mg0.2407 Ni0.7593 O5 S -","- H8 Mg0.9628 Ni3.0372 O20 S4 -","4","0.5","","Talla, D.; Balla, M.; Aicher, C.; Lengauer, C. L.; Wildner, M.","Structural and spectroscopic study of the kieserite-dwornikite solid-solution series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical implications for icy moons and Mars","American Mineralogist","2020","105","","1472","1489","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:57",""
"9017867","6.829","","7.6047","","7.4626","","90","","117.749","","90","","342.981","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Dwornikite","- H2 Ni O5 S -","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","4","0.5","","Talla, D.; Balla, M.; Aicher, C.; Lengauer, C. L.; Wildner, M.","Structural and spectroscopic study of the kieserite-dwornikite solid-solution series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical implications for icy moons and Mars","American Mineralogist","2020","105","","1472","1489","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:57",""
"9017868","6.8252","","7.607","","7.4587","","90","","117.724","","90","","342.794","","","","273.15","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Dwornikite","- H2 Ni O5 S -","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","4","0.5","","Talla, D.; Balla, M.; Aicher, C.; Lengauer, C. L.; Wildner, M.","Structural and spectroscopic study of the kieserite-dwornikite solid-solution series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical implications for icy moons and Mars Note: T = 0 C","American Mineralogist","2020","105","","1472","1489","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:57",""
"9017869","6.8115","","7.6122","","7.4444","","90","","117.629","","90","","341.98","","","","193.15","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Dwornikite","- H2 Ni O5 S -","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","4","0.5","","Talla, D.; Balla, M.; Aicher, C.; Lengauer, C. L.; Wildner, M.","Structural and spectroscopic study of the kieserite-dwornikite solid-solution series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical implications for icy moons and Mars Note: T = -80 C","American Mineralogist","2020","105","","1472","1489","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:57",""
"9017870","6.8037","","7.6178","","7.4371","","90","","117.58","","90","","341.658","","","","113.15","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Dwornikite","- H2 Ni O5 S -","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","4","0.5","","Talla, D.; Balla, M.; Aicher, C.; Lengauer, C. L.; Wildner, M.","Structural and spectroscopic study of the kieserite-dwornikite solid-solution series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical implications for icy moons and Mars Note: T = -160 C","American Mineralogist","2020","105","","1472","1489","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:57",""
"9017874","9.4958","","13.6758","","13.4696","","90","","90.398","","90","","1749.16","","","","","","","","","","","","Vilatte-Haute pegmatite, Limousin, Haute-Vienne, France","6","P 1 21/c 1","-P 2ybc","14","","","Limousinite","- Ba0.946 Be4 Ca0.954 H11.684 O21.559 P4 -","- Ba0.946 Be4 Ca0.954 H11.684 O21.559 P4 -","- Ba3.784 Be16 Ca3.816 H46.736 O86.236 P16 -","4","1","","Hatert, F.; Dal Bo, F.; Bruni, Y.; Meisser, N.; Vignola, P.; Risplendente, A.; Chatenet, F. X.; Lebocey, J.","Limousinite, BaCa[Be4P4O16]*6H2O, a new beryllophosphate mineral with a phillipsite-type framework","The Canadian Mineralogist","2020","58","","815","827","","","","","","","","","","","","","","","","","","","","","","has coordinates","283865","2023-05-18","12:48:10",""
"9017908","10.9636","","10.9636","","10.9636","","90","","90","","90","","1317.83","","","","","","","","","","","","Pribram, Czech Republic","5","I -4 3 m","I -4 2 3","217","","","Posepnyite","- Ag0.42 Cu6.678 Hg2.922 Sb4 Se12.576 -","- Ag0.42 Cu6.678 Hg2.922 Sb4 Se12.576 -","- Ag0.84 Cu13.356 Hg5.844 Sb8 Se25.152 -","2","0.0416667","","Skacha, P.; Sejkora, J.; Plasil, J.; Makovicky, E.","Posepnyite, a new Hg-rich member of the tetrahedrite group from Pribram, Czech Republic","Journal of Geosciences","2020","65","","173","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:57",""